smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-c2nc3c(ccc4ccccc34)n2C(C)C)cc1 ZINC000000000796 563211064 /nfs/dbraw/zinc/21/10/64/563211064.db2.gz XVDXNSRMHBAVAX-UHFFFAOYSA-N 0 0 316.404 5.446 10 0 in-man DKAERN CC(C)(C)c1cc(C(=O)c2cccs2)cc(C(C)(C)C)c1O ZINC000000001977 581094984 /nfs/dbraw/zinc/09/49/84/581094984.db2.gz WAAVMZLJRXYRMA-UHFFFAOYSA-N 0 0 316.466 5.280 10 0 in-man DKAERN Fc1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2CCCC3)cc1 ZINC000000023850 581100097 /nfs/dbraw/zinc/10/00/97/581100097.db2.gz PWORIKUKVBOCDD-UHFFFAOYSA-N 0 0 309.359 5.506 10 0 DKAERN CC1(C)[C@@H]2CC[C@@]1(C)c1nn(-c3ccccc3)c(C(F)(F)F)c12 ZINC000000136132 257266485 /nfs/dbraw/zinc/26/64/85/257266485.db2.gz LFQGYZSWLGHVNA-PXAZEXFGSA-N 0 0 320.358 5.066 10 0 DKAERN Cc1cc(Cl)cc2c(=O)c(-c3ccccc3)c(Cl)[nH]c12 ZINC000000158309 180711654 /nfs/dbraw/zinc/71/16/54/180711654.db2.gz NZDMNCGDGMGVAH-UHFFFAOYSA-N 0 0 304.176 5.223 10 0 DKAERN S=c1[nH]c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1 ZINC000000175019 568421580 /nfs/dbraw/zinc/42/15/80/568421580.db2.gz JYEPJLSKZAHYCG-UHFFFAOYSA-N 0 0 321.232 5.713 10 0 DKAERN C[C@@H](c1cccnc1)N(C(=O)Nc1ccccc1)C1CCCCC1 ZINC000000263879 563583688 /nfs/dbraw/zinc/58/36/88/563583688.db2.gz JRFYNYBRYSLGCB-INIZCTEOSA-N 0 0 323.440 5.009 10 0 DKAERN C[C@H](c1cccnc1)N(C(=O)Nc1ccccc1)C1CCCCC1 ZINC000000263884 563583378 /nfs/dbraw/zinc/58/33/78/563583378.db2.gz JRFYNYBRYSLGCB-MRXNPFEDSA-N 0 0 323.440 5.009 10 0 DKAERN OC(c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000000345438 180763052 /nfs/dbraw/zinc/76/30/52/180763052.db2.gz PZANOVMDGMLRMA-UHFFFAOYSA-N 0 0 322.018 5.382 10 0 DKAERN O=C(Nc1ccccc1F)/C(=C\c1ccccc1)c1ccccc1 ZINC000000463807 257211454 /nfs/dbraw/zinc/21/14/54/257211454.db2.gz KGZGQXGAKBPEIS-SDXDJHTJSA-N 0 0 317.363 5.005 10 0 DKAERN Cc1ccc(Nc2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000000513246 340377487 /nfs/dbraw/zinc/37/74/87/340377487.db2.gz SRWUHAYWJOQRAC-UHFFFAOYSA-N 0 0 313.404 5.137 10 0 DKAERN CCC(=O)c1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000000515197 180810626 /nfs/dbraw/zinc/81/06/26/180810626.db2.gz FNRDBQDGRCOATL-UHFFFAOYSA-N 0 0 309.192 5.165 10 0 DKAERN c1coc(-c2nc3ccccc3n2Cc2cccc3ccccc32)c1 ZINC000000572363 180824641 /nfs/dbraw/zinc/82/46/41/180824641.db2.gz QJVWUQNYABAKJE-UHFFFAOYSA-N 0 0 324.383 5.498 10 0 DKAERN c1coc(-c2nc3ccccc3n2Cc2ccc3ccccc3c2)c1 ZINC000000572384 180824395 /nfs/dbraw/zinc/82/43/95/180824395.db2.gz JDALEFURWYZDKC-UHFFFAOYSA-N 0 0 324.383 5.498 10 0 DKAERN Clc1cc(Cl)c2c(c1)Oc1c(Cl)cc(Cl)cc1O2 ZINC000000900744 180837238 /nfs/dbraw/zinc/83/72/38/180837238.db2.gz OTQFXRBLGNEOGH-UHFFFAOYSA-N 0 0 321.974 6.198 10 0 in-vitro DKAERN CC(C)c1ccc([C@H]2CC(=O)Nc3ccc4ccccc4c32)cc1 ZINC000001067424 257211577 /nfs/dbraw/zinc/21/15/77/257211577.db2.gz BJZKMEKYDQKCGO-LJQANCHMSA-N 0 0 315.416 5.437 10 0 DKAERN CC(C)c1ccc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)cc1 ZINC000001067426 257211564 /nfs/dbraw/zinc/21/15/64/257211564.db2.gz BJZKMEKYDQKCGO-IBGZPJMESA-N 0 0 315.416 5.437 10 0 DKAERN Cc1cc2sc(NC(=O)c3ccc(C(C)C)cc3)nc2c(C)c1 ZINC000001284261 180853209 /nfs/dbraw/zinc/85/32/09/180853209.db2.gz QPULRTUORVASBP-UHFFFAOYSA-N 0 0 324.449 5.289 10 0 DKAERN Nc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1 ZINC000001484461 180870010 /nfs/dbraw/zinc/87/00/10/180870010.db2.gz TYRDEFILBHSGHA-UHFFFAOYSA-N 0 0 322.411 5.665 10 0 DKAERN Clc1ccc2c(c1)[nH]c(-c1ccccc1)c2-c1ccccc1 ZINC000001708038 180890628 /nfs/dbraw/zinc/89/06/28/180890628.db2.gz LQVJELXDMOMSEX-UHFFFAOYSA-N 0 0 303.792 6.155 10 0 DKAERN CC(C)c1cc2c(cc1O)[C@]1(C)CCCC(C)(C)[C@H]1CC2=O ZINC000001711822 571681728 /nfs/dbraw/zinc/68/17/28/571681728.db2.gz IPEHJNRNYPOFII-QUCCMNQESA-N 0 0 300.442 5.186 10 0 endogenous,in-man DKAERN CC(C)c1cc2c(cc1O)[C@]1(C)CCCC(C)(C)[C@@H]1CC2=O ZINC000001711823 571681764 /nfs/dbraw/zinc/68/17/64/571681764.db2.gz IPEHJNRNYPOFII-ICSRJNTNSA-N 0 0 300.442 5.186 10 0 endogenous,in-man DKAERN CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@H]1CC2=O ZINC000001711824 571681801 /nfs/dbraw/zinc/68/18/01/571681801.db2.gz IPEHJNRNYPOFII-UYAOXDASSA-N 0 0 300.442 5.186 10 0 endogenous,in-man DKAERN COc1ccc(C(C)=C(c2ccccc2)c2ccccc2)cc1 ZINC000001724181 560184496 /nfs/dbraw/zinc/18/44/96/560184496.db2.gz DRHOGPTXUWEFCO-UHFFFAOYSA-N 0 0 300.401 5.674 10 0 in-vitro DKAERN CCCCOc1ccc(/C=C/C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000001930362 180902661 /nfs/dbraw/zinc/90/26/61/180902661.db2.gz KUBLECXVMPTEHP-DHZHZOJOSA-N 0 0 323.436 5.134 10 0 DKAERN C[C@@H]1CCc2c(sc3ncnc(SC4CCCCC4)c23)C1 ZINC000001935588 180902888 /nfs/dbraw/zinc/90/28/88/180902888.db2.gz RVPGZJDVJCQMAN-LLVKDONJSA-N 0 0 318.511 5.241 10 0 DKAERN Cc1sc2ncnc(SCc3cccc(Cl)c3)c2c1C ZINC000001935653 180902932 /nfs/dbraw/zinc/90/29/32/180902932.db2.gz ZSOOJGFAGBHDQA-UHFFFAOYSA-N 0 0 320.870 5.254 10 0 DKAERN CCCCCSc1ncnc2scc(-c3ccccc3)c21 ZINC000001935732 180902949 /nfs/dbraw/zinc/90/29/49/180902949.db2.gz SYSBBMHRYPBSOR-UHFFFAOYSA-N 0 0 314.479 5.641 10 0 DKAERN CCCSc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000001935836 180902855 /nfs/dbraw/zinc/90/28/55/180902855.db2.gz QRLQJWNIRBTNJB-UHFFFAOYSA-N 0 0 320.870 5.514 10 0 DKAERN CC(C)Sc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000001935839 180902958 /nfs/dbraw/zinc/90/29/58/180902958.db2.gz GRNKNOZRYOSVJB-UHFFFAOYSA-N 0 0 320.870 5.512 10 0 DKAERN Cc1ccc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000001937069 180903422 /nfs/dbraw/zinc/90/34/22/180903422.db2.gz UVIQJQBHUNGJTD-VMPITWQZSA-N 0 0 320.219 5.262 10 0 DKAERN Cc1ccc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1C ZINC000001937074 180903488 /nfs/dbraw/zinc/90/34/88/180903488.db2.gz RKPITPMSBJFZCA-VMPITWQZSA-N 0 0 320.219 5.262 10 0 DKAERN Cc1ccc(NC(=O)/C=C/c2c(Cl)cccc2Cl)cc1C ZINC000001939769 180903275 /nfs/dbraw/zinc/90/32/75/180903275.db2.gz PYTOZBJXKHIMKR-CMDGGOBGSA-N 0 0 320.219 5.262 10 0 DKAERN Cc1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1Cl ZINC000001940071 180903142 /nfs/dbraw/zinc/90/31/42/180903142.db2.gz HQVDKBCXRKEIQL-YRNVUSSQSA-N 0 0 313.828 5.424 10 0 DKAERN CC(C)Oc1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000001966760 180903826 /nfs/dbraw/zinc/90/38/26/180903826.db2.gz INYWZMWZFUPQQI-VGOFMYFVSA-N 0 0 323.436 5.249 10 0 DKAERN Cc1cc(Cl)ccc1NC(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000001986145 180904824 /nfs/dbraw/zinc/90/48/24/180904824.db2.gz QAPYWTAJEGWZCH-IZZDOVSWSA-N 0 0 313.828 5.424 10 0 DKAERN Cc1cccc(N(C)C(=S)Oc2ccc3c(c2)[C@@H]2CC[C@H]3C2)c1 ZINC000002005627 180905625 /nfs/dbraw/zinc/90/56/25/180905625.db2.gz CANCCLAKQQHLNK-LSDHHAIUSA-N 0 0 323.461 5.160 10 0 in-man DKAERN CCCCCc1cc(O)c2c(c1)O[C@]1(C)CC[C@H]3[C@@H]1[C@@H]2C3(C)C ZINC000002016214 180905963 /nfs/dbraw/zinc/90/59/63/180905963.db2.gz IGHTZQUIFGUJTG-QSMXQIJUSA-N 0 0 314.469 5.426 10 0 DKAERN CCCCC1CCC(C(=O)Nc2cccc3ccccc32)CC1 ZINC000002030413 180906928 /nfs/dbraw/zinc/90/69/28/180906928.db2.gz XJHXLWIYIXVZNU-UHFFFAOYSA-N 0 0 309.453 5.775 10 0 DKAERN O=C(c1ccccc1)[C@@H](Nc1ccc(Cl)cc1)c1ccccc1 ZINC000002036607 180907535 /nfs/dbraw/zinc/90/75/35/180907535.db2.gz OKXHEPYTJQIFQB-IBGZPJMESA-N 0 0 321.807 5.376 10 0 DKAERN Cc1c2ccccc2nc2c1CCc1c(C)c3ccccc3nc1-2 ZINC000002140979 180912348 /nfs/dbraw/zinc/91/23/48/180912348.db2.gz RWOUETIZGZHNKY-UHFFFAOYSA-N 0 0 310.400 5.165 10 0 DKAERN C[C@H](c1ccccc1)[C@H]1CC[C@@H](c2ccccc2)c2ccccc21 ZINC000002384327 180921580 /nfs/dbraw/zinc/92/15/80/180921580.db2.gz GJJWHYDGEZUFOW-QIJUGHKUSA-N 0 0 312.456 6.500 10 0 endogenous,in-man DKAERN c1ccc2c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-2 ZINC000002504719 560187063 /nfs/dbraw/zinc/18/70/63/560187063.db2.gz KTQYWNARBMKMCX-UHFFFAOYSA-N 0 0 304.392 6.668 10 0 in-vitro DKAERN Oc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1 ZINC000002526173 180931935 /nfs/dbraw/zinc/93/19/35/180931935.db2.gz RESKVBRHSNTJNG-UHFFFAOYSA-N 0 0 307.991 5.673 10 0 in-vitro DKAERN Oc1cccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 ZINC000002526174 560187475 /nfs/dbraw/zinc/18/74/75/560187475.db2.gz FNSUIQQZIUKGPW-UHFFFAOYSA-N 0 0 307.991 5.673 10 0 in-vitro DKAERN C=C(Cl)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000002526783 180932159 /nfs/dbraw/zinc/93/21/59/180932159.db2.gz SLTPKYSBAACEPB-UHFFFAOYSA-N 0 0 310.822 6.163 10 0 DKAERN Cc1c(Cl)ccc2c(Cl)c(-c3ccccc3)c(Cl)nc12 ZINC000002570403 180936454 /nfs/dbraw/zinc/93/64/54/180936454.db2.gz PWRCVVCXUMOSPJ-UHFFFAOYSA-N 0 0 322.622 6.170 10 0 DKAERN c1cc2cc(N(Cc3ccccc3)Cc3ccccc3)ccc2[nH]1 ZINC000002576252 180937167 /nfs/dbraw/zinc/93/71/67/180937167.db2.gz IOPJTCXKXQXLMZ-UHFFFAOYSA-N 0 0 312.416 5.375 10 0 DKAERN C[C@H](c1ccccc1)[C@@H]1CC[C@@H](c2ccccc2)c2ccccc21 ZINC000002585906 180937912 /nfs/dbraw/zinc/93/79/12/180937912.db2.gz GJJWHYDGEZUFOW-COPCDDAFSA-N 0 0 312.456 6.500 10 0 endogenous,in-man DKAERN Oc1ccc(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1 ZINC000002598148 560188327 /nfs/dbraw/zinc/18/83/27/560188327.db2.gz QNOGRXAVIRHWCY-UHFFFAOYSA-N 0 0 307.991 5.673 10 0 in-vitro DKAERN Oc1ccc(-c2c(Cl)cc(Cl)cc2Cl)cc1Cl ZINC000002598149 560188344 /nfs/dbraw/zinc/18/83/44/560188344.db2.gz WWRVCWDZLRVHCD-UHFFFAOYSA-N 0 0 307.991 5.673 10 0 in-vitro DKAERN Cc1ccc(OC(=O)c2ccc(C(C)C)cc2)c(C(C)(C)C)c1 ZINC000002609249 180938843 /nfs/dbraw/zinc/93/88/43/180938843.db2.gz KCNOXMZJCLAMHT-UHFFFAOYSA-N 0 0 310.437 5.635 10 0 DKAERN CC(C)c1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1 ZINC000002609251 180938639 /nfs/dbraw/zinc/93/86/39/180938639.db2.gz PARQUENDUIXXDB-UHFFFAOYSA-N 0 0 316.400 5.696 10 0 DKAERN CC(C)n1c(COc2cccc3ccccc32)nc2ccccc21 ZINC000002666371 180946169 /nfs/dbraw/zinc/94/61/69/180946169.db2.gz VHIPJILIATUKSC-UHFFFAOYSA-N 0 0 316.404 5.349 10 0 DKAERN C[C@H]1C[C@H]1c1ccc(CCC(=O)c2ccc(Cl)cc2Cl)o1 ZINC000002670049 180946017 /nfs/dbraw/zinc/94/60/17/180946017.db2.gz CZFZUWUUDRLENM-IINYFYTJSA-N 0 0 323.219 5.525 10 0 DKAERN c1ccc(Oc2nnc(Oc3ccccc3)c3ccccc32)cc1 ZINC000002679560 180946699 /nfs/dbraw/zinc/94/66/99/180946699.db2.gz CKTOOUPVCQHBBF-UHFFFAOYSA-N 0 0 314.344 5.214 10 0 DKAERN Clc1ccc(Oc2ccc(/C=C/c3ccccc3)cc2)cc1 ZINC000003066080 180979153 /nfs/dbraw/zinc/97/91/53/180979153.db2.gz FSOFHHFKVCXSLI-VOTSOKGWSA-N 0 0 306.792 6.303 10 0 DKAERN Cc1ccccc1C(=O)Nc1cc(C(C)C)c(O)c(C(C)C)c1 ZINC000003078414 190616738 /nfs/dbraw/zinc/61/67/38/190616738.db2.gz SAYVNSKHEWVZEL-UHFFFAOYSA-N 0 0 311.425 5.200 10 0 DKAERN c1ccc2sc(CCCc3nc4ccccc4s3)nc2c1 ZINC000003121920 563322450 /nfs/dbraw/zinc/32/24/50/563322450.db2.gz MMJAYBKWPKNDBR-UHFFFAOYSA-N 0 0 310.447 5.081 10 0 DKAERN CCOC(=O)[C@@H](c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000003145286 563322175 /nfs/dbraw/zinc/32/21/75/563322175.db2.gz PNRFBHUGMZPOHM-NRFANRHFSA-N 0 0 316.400 5.049 10 0 DKAERN CCOC(=O)[C@H](c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000003145287 563322460 /nfs/dbraw/zinc/32/24/60/563322460.db2.gz PNRFBHUGMZPOHM-OAQYLSRUSA-N 0 0 316.400 5.049 10 0 DKAERN O=C(CCc1ccccc1)N(C1CCCCC1)C1CCCCC1 ZINC000003149684 518198399 /nfs/dbraw/zinc/19/83/99/518198399.db2.gz OSLAQMPNCMYDHM-UHFFFAOYSA-N 0 0 313.485 5.113 10 0 DKAERN CCCCCc1nc2cc3nc(CCCCC)oc3cc2o1 ZINC000003150065 563942412 /nfs/dbraw/zinc/94/24/12/563942412.db2.gz ATVRBYJLLHSVIL-UHFFFAOYSA-N 0 0 300.402 5.434 10 0 DKAERN COc1ccccc1Oc1cc(Cl)c(Cl)cc1Cl ZINC000003172357 563323104 /nfs/dbraw/zinc/32/31/04/563323104.db2.gz GGQDMCCPMFBUFK-UHFFFAOYSA-N 0 0 303.572 5.448 10 0 DKAERN c1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1ccccc1 ZINC000003177447 563323262 /nfs/dbraw/zinc/32/32/62/563323262.db2.gz KFSFOYXSNDRKHW-UHFFFAOYSA-N 0 0 313.425 6.144 10 0 DKAERN CCC(CC)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC ZINC000003200065 563322995 /nfs/dbraw/zinc/32/29/95/563322995.db2.gz IMBXXCIWPLEFFN-UHFFFAOYSA-N 0 0 308.425 5.189 10 0 DKAERN O=C(Nc1ccc(Cl)cc1)c1ccccc1Nc1ccccc1 ZINC000003373464 181012711 /nfs/dbraw/zinc/01/27/11/181012711.db2.gz JANFYSIOLILRBH-UHFFFAOYSA-N 0 0 322.795 5.336 10 0 DKAERN Clc1cnc2c(c1)CC[C@H](c1ccc(Cl)c(Cl)c1)O2 ZINC000003611660 181040815 /nfs/dbraw/zinc/04/08/15/181040815.db2.gz IIHLRAYLXPTLCO-CYBMUJFWSA-N 0 0 314.599 5.108 10 0 DKAERN Clc1cnc2c(c1)CC[C@@H](c1ccc(Cl)c(Cl)c1)O2 ZINC000003611661 181041091 /nfs/dbraw/zinc/04/10/91/181041091.db2.gz IIHLRAYLXPTLCO-ZDUSSCGKSA-N 0 0 314.599 5.108 10 0 DKAERN Cc1cc(C=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n[nH]1 ZINC000003784137 181046197 /nfs/dbraw/zinc/04/61/97/181046197.db2.gz WSURYVQLWPAKRH-CMDGGOBGSA-N 0 0 312.457 5.189 10 0 DKAERN Cc1c2c(c(C)c(C)c1O)O[C@@](C)([C@H](C)CCCC(C)C)C2 ZINC000003796870 181045994 /nfs/dbraw/zinc/04/59/94/181045994.db2.gz NWJMUDLPLBGFKN-ZUOKHONESA-N 0 0 304.474 5.473 10 0 DKAERN CCOc1ccc(-c2nc(-c3ccccc3)c3ccccn32)cc1 ZINC000003893014 181052734 /nfs/dbraw/zinc/05/27/34/181052734.db2.gz ONIDYQRFKKROFC-UHFFFAOYSA-N 0 0 314.388 5.067 10 0 DKAERN Clc1nc(Cl)c(-c2ccccc2)c(-c2ccccc2)n1 ZINC000003937702 181057932 /nfs/dbraw/zinc/05/79/32/181057932.db2.gz FZRKDOSESFDCBP-UHFFFAOYSA-N 0 0 301.176 5.117 10 0 DKAERN Clc1ccccc1[C@H]1c2ccccc2CNc2ccccc21 ZINC000003940252 181058112 /nfs/dbraw/zinc/05/81/12/181058112.db2.gz MFPYWSILPWVBNU-HXUWFJFHSA-N 0 0 305.808 5.446 10 0 DKAERN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC[C@@H]2CCO ZINC000004095489 560193368 /nfs/dbraw/zinc/19/33/68/560193368.db2.gz DBMUNIJZUYVPCQ-GCOKGBOCSA-N 0 0 304.518 5.418 10 0 in-vitro DKAERN CC(C)c1nc2scc(-c3ccccc3Cl)c2c(Cl)n1 ZINC000004207444 181085296 /nfs/dbraw/zinc/08/52/96/181085296.db2.gz WHTFVDZGRRAUAM-UHFFFAOYSA-N 0 0 323.248 5.789 10 0 DKAERN CC(C)[C@H]1CC[C@H](C)C[C@H]1NC(=O)c1cccc2ccccc21 ZINC000004300864 181094493 /nfs/dbraw/zinc/09/44/93/181094493.db2.gz LBIVWKPRVGWODT-XAUMDUMWSA-N 0 0 309.453 5.030 10 0 DKAERN CC(C)[C@@H]1CC[C@H](C)C[C@H]1NC(=O)c1cccc2ccccc21 ZINC000004300866 181094560 /nfs/dbraw/zinc/09/45/60/181094560.db2.gz LBIVWKPRVGWODT-RIFZZMRRSA-N 0 0 309.453 5.030 10 0 DKAERN C[C@]1(c2ccccc2)C[C@H](c2ccccc2)N(c2ccccc2)O1 ZINC000004350234 181100955 /nfs/dbraw/zinc/10/09/55/181100955.db2.gz FJBPBCSIHZSCRQ-FGZHOGPDSA-N 0 0 315.416 5.485 10 0 DKAERN C[C@]1(c2ccccc2)C[C@@H](c2ccccc2)N(c2ccccc2)O1 ZINC000004350237 181101047 /nfs/dbraw/zinc/10/10/47/181101047.db2.gz FJBPBCSIHZSCRQ-FCHUYYIVSA-N 0 0 315.416 5.485 10 0 DKAERN C[C@@]1(c2ccccc2)C[C@@H](c2ccccc2)N(c2ccccc2)O1 ZINC000004350238 181101030 /nfs/dbraw/zinc/10/10/30/181101030.db2.gz FJBPBCSIHZSCRQ-VXKWHMMOSA-N 0 0 315.416 5.485 10 0 DKAERN C[C@@H](Nc1ncnc2c3ccccc3sc21)c1ccccc1 ZINC000004617812 181129853 /nfs/dbraw/zinc/12/98/53/181129853.db2.gz WXXYNGFRGPWDFC-GFCCVEGCSA-N 0 0 305.406 5.018 10 0 DKAERN CC(=O)Nc1ccc(C(c2ccccc2)c2ccccc2)cc1C ZINC000004720800 181141766 /nfs/dbraw/zinc/14/17/66/181141766.db2.gz JEEWZGGNZPBSQI-UHFFFAOYSA-N 0 0 315.416 5.134 10 0 DKAERN O=C(c1ccccc1)[C@H](Nc1ccc(Cl)cc1)c1ccccc1 ZINC000004887450 181168447 /nfs/dbraw/zinc/16/84/47/181168447.db2.gz OKXHEPYTJQIFQB-LJQANCHMSA-N 0 0 321.807 5.376 10 0 DKAERN COc1ccc2sc(Nc3cccc4ccccc43)nc2c1 ZINC000005087652 181202345 /nfs/dbraw/zinc/20/23/45/181202345.db2.gz CHLBROKGDXNJIH-UHFFFAOYSA-N 0 0 306.390 5.202 10 0 DKAERN Clc1cc(Cl)c2nc3c(c(Cl)c2c1)CCCCC3 ZINC000005104017 181203929 /nfs/dbraw/zinc/20/39/29/181203929.db2.gz KOBQKMYBSAVZHD-UHFFFAOYSA-N 0 0 300.616 5.464 10 0 DKAERN Oc1ccc(/C=C/c2nc3c(ccc4ccccc34)s2)cc1 ZINC000005129982 181207502 /nfs/dbraw/zinc/20/75/02/181207502.db2.gz QBKZMHUXYBAGFC-KPKJPENVSA-N 0 0 303.386 5.326 10 0 DKAERN FC(F)(F)c1ccccc1Oc1ccnc2cc(Cl)ccc21 ZINC000005162235 181211824 /nfs/dbraw/zinc/21/18/24/181211824.db2.gz MPKYZZCZMLSMAG-UHFFFAOYSA-N 0 0 323.701 5.699 10 0 DKAERN CC(C)c1ccc(/C=C/C(=O)Nc2cccc3cccnc32)cc1 ZINC000005231126 181219166 /nfs/dbraw/zinc/21/91/66/181219166.db2.gz ZGEYKLWYZMIWGS-JLHYYAGUSA-N 0 0 316.404 5.010 10 0 DKAERN CC(C)(C)CN(C(=O)c1ccccc1)c1cccc2ccccc21 ZINC000005283955 181226294 /nfs/dbraw/zinc/22/62/94/181226294.db2.gz DOFPLFRLMDMFOY-UHFFFAOYSA-N 0 0 317.432 5.533 10 0 DKAERN CC(C)(C)c1cc(-c2ccccc2)c2c(n1)-c1ccccc1CC2 ZINC000005284215 181226669 /nfs/dbraw/zinc/22/66/69/181226669.db2.gz ZBSTTWYZFWUERQ-UHFFFAOYSA-N 0 0 313.444 5.812 10 0 DKAERN CC(C)(C)c1cc(Sc2ccccc2)cc(C(C)(C)C)c1O ZINC000005284262 181226245 /nfs/dbraw/zinc/22/62/45/181226245.db2.gz NJXCWCMQAWZETG-UHFFFAOYSA-N 0 0 314.494 6.138 10 0 DKAERN c1c(-c2ccccc2)nc2n1c1ccccc1n2Cc1ccccc1 ZINC000005286346 181226413 /nfs/dbraw/zinc/22/64/13/181226413.db2.gz WJYDGMPGIRYSKZ-UHFFFAOYSA-N 0 0 323.399 5.004 10 0 DKAERN On1c(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000005286417 181226409 /nfs/dbraw/zinc/22/64/09/181226409.db2.gz GPBUSGZSZQZPNP-UHFFFAOYSA-N 0 0 312.372 5.121 10 0 DKAERN c1nc(-c2ccccc2)c(-c2ccccc2)n1C1CCCCCC1 ZINC000005286418 181226205 /nfs/dbraw/zinc/22/62/05/181226205.db2.gz FZMDNAHTVVQXSL-UHFFFAOYSA-N 0 0 316.448 6.112 10 0 DKAERN CC(C)c1ccccc1OC(=O)c1ccc(-c2ccccc2)cc1 ZINC000005301958 181227733 /nfs/dbraw/zinc/22/77/33/181227733.db2.gz XITZQLCGXDYAGE-UHFFFAOYSA-N 0 0 316.400 5.696 10 0 DKAERN CCCCC(CCCC)(c1ccccc1)n1nnc2ccccc21 ZINC000005308302 181228537 /nfs/dbraw/zinc/22/85/37/181228537.db2.gz GLGCPYWQBYHCSE-UHFFFAOYSA-N 0 0 321.468 5.555 10 0 DKAERN CCCCC[C@H](c1cc2ccccc2[nH]1)n1nnc2ccccc21 ZINC000005308894 181228391 /nfs/dbraw/zinc/22/83/91/181228391.db2.gz ICUDWKUYBXKETR-HXUWFJFHSA-N 0 0 318.424 5.082 10 0 DKAERN CCCC[C@@H](CC)c1cc2ccccc2n1Cc1ccccc1 ZINC000005309647 181228385 /nfs/dbraw/zinc/22/83/85/181228385.db2.gz KTQQYUITUMLJDF-LJQANCHMSA-N 0 0 305.465 6.373 10 0 DKAERN CCCC[C@](C)(c1nc(-c2ccccc2)cs1)c1ccccc1 ZINC000005309857 181228442 /nfs/dbraw/zinc/22/84/42/181228442.db2.gz TUDYOIWKWGEZML-NRFANRHFSA-N 0 0 321.489 6.306 10 0 DKAERN CCCC[C@](Cc1ccccc1)(Sc1ccccc1)C(C)C ZINC000005309872 181228542 /nfs/dbraw/zinc/22/85/42/181228542.db2.gz PSZLDMCNYHDLOM-OAQYLSRUSA-N 0 0 312.522 6.606 10 0 DKAERN CCCC[C@H](CC)c1cc2ccccc2n1Cc1ccccc1 ZINC000005309983 181228527 /nfs/dbraw/zinc/22/85/27/181228527.db2.gz KTQQYUITUMLJDF-IBGZPJMESA-N 0 0 305.465 6.373 10 0 DKAERN CCCC[C@@](C)(c1nc(-c2ccccc2)cs1)c1ccccc1 ZINC000005310189 181228417 /nfs/dbraw/zinc/22/84/17/181228417.db2.gz TUDYOIWKWGEZML-OAQYLSRUSA-N 0 0 321.489 6.306 10 0 DKAERN CCCC[C@@](Cc1ccccc1)(Sc1ccccc1)C(C)C ZINC000005310201 181228563 /nfs/dbraw/zinc/22/85/63/181228563.db2.gz PSZLDMCNYHDLOM-NRFANRHFSA-N 0 0 312.522 6.606 10 0 DKAERN CCCCc1oc2ccccc2c1-c1ccc(Cl)cc1Cl ZINC000005310314 181228399 /nfs/dbraw/zinc/22/83/99/181228399.db2.gz HWXQXUPSRFXSTQ-UHFFFAOYSA-N 0 0 319.231 6.749 10 0 DKAERN CCCCn1c2ccccc2n2cc(-c3ccc(Cl)cc3)cc21 ZINC000005310491 181228416 /nfs/dbraw/zinc/22/84/16/181228416.db2.gz FEJUXTBMLJBQEM-UHFFFAOYSA-N 0 0 322.839 6.015 10 0 DKAERN CN(C)c1ccc([C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000005328613 181230321 /nfs/dbraw/zinc/23/03/21/181230321.db2.gz HVAXLMFRYCCVQU-QFIPXVFZSA-N 0 0 301.433 5.127 10 0 DKAERN CN(C)c1ccc([C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000005328676 181230262 /nfs/dbraw/zinc/23/02/62/181230262.db2.gz HVAXLMFRYCCVQU-JOCHJYFZSA-N 0 0 301.433 5.127 10 0 DKAERN CN1CC[C@@H](n2c3ccccc3c3ccccc32)c2ccccc21 ZINC000005328875 536460061 /nfs/dbraw/zinc/46/00/61/536460061.db2.gz MMYUZPIXYAUCKO-JOCHJYFZSA-N 0 0 312.416 5.224 10 0 DKAERN CN1c2ccccc2C[C@@H](c2ccccc2)[C@@H]1Cc1ccccc1 ZINC000005328991 134470586 /nfs/dbraw/zinc/47/05/86/134470586.db2.gz XWJIMUUYOMGZCP-GMAHTHKFSA-N 0 0 313.444 5.074 10 0 DKAERN COc1ccc2ccccc2c1[C@@H](C)c1ccc(N(C)C)cc1 ZINC000005330320 181230303 /nfs/dbraw/zinc/23/03/03/181230303.db2.gz RYAWMGWVIJFVPB-HNNXBMFYSA-N 0 0 305.421 5.066 10 0 DKAERN C[C@@H]1C[C@H](n2c3ccccc3c3ccccc32)c2ccccc2N1 ZINC000005330351 181230272 /nfs/dbraw/zinc/23/02/72/181230272.db2.gz PBFZEJQXRCOERQ-QRQCRPRQSA-N 0 0 312.416 5.588 10 0 DKAERN C[C@@H]1C[C@@H](n2c3ccccc3c3ccccc32)c2ccccc2N1 ZINC000005330358 181230255 /nfs/dbraw/zinc/23/02/55/181230255.db2.gz PBFZEJQXRCOERQ-IVZQSRNASA-N 0 0 312.416 5.588 10 0 DKAERN C[C@@H]1c2c3ccccc3n(C)c2[C@H](C)c2c3ccccc3n(C)c21 ZINC000005330366 181230455 /nfs/dbraw/zinc/23/04/55/181230455.db2.gz XZPWFFHKURNLQU-ZIAGYGMSSA-N 0 0 314.432 5.287 10 0 DKAERN COc1ccc2ccccc2c1[C@H](C)c1ccc(N(C)C)cc1 ZINC000005330403 181230367 /nfs/dbraw/zinc/23/03/67/181230367.db2.gz RYAWMGWVIJFVPB-OAHLLOKOSA-N 0 0 305.421 5.066 10 0 DKAERN C[C@H]1C[C@H](n2c3ccccc3c3ccccc32)c2ccccc2N1 ZINC000005330433 181230140 /nfs/dbraw/zinc/23/01/40/181230140.db2.gz PBFZEJQXRCOERQ-NYHFZMIOSA-N 0 0 312.416 5.588 10 0 DKAERN C[C@H]1C[C@@H](n2c3ccccc3c3ccccc32)c2ccccc2N1 ZINC000005330440 181230347 /nfs/dbraw/zinc/23/03/47/181230347.db2.gz PBFZEJQXRCOERQ-OYHNWAKOSA-N 0 0 312.416 5.588 10 0 DKAERN C[C@H]1c2c3ccccc3n(C)c2[C@@H](C)c2c3ccccc3n(C)c21 ZINC000005330452 181230380 /nfs/dbraw/zinc/23/03/80/181230380.db2.gz XZPWFFHKURNLQU-KBPBESRZSA-N 0 0 314.432 5.287 10 0 DKAERN Cc1ccc(C(=O)[C@H](Nc2ccccc2)c2ccccc2)cc1 ZINC000005330719 181230474 /nfs/dbraw/zinc/23/04/74/181230474.db2.gz PQKMGVHBKDHJDQ-HXUWFJFHSA-N 0 0 301.389 5.031 10 0 DKAERN Cc1ccc(C(=O)[C@@H](Nc2ccccc2)c2ccccc2)cc1 ZINC000005330722 181230421 /nfs/dbraw/zinc/23/04/21/181230421.db2.gz PQKMGVHBKDHJDQ-FQEVSTJZSA-N 0 0 301.389 5.031 10 0 DKAERN Cc1ccc(-c2cnc(-c3ccc(C)cc3)c3ccccc32)cc1 ZINC000005330927 181230478 /nfs/dbraw/zinc/23/04/78/181230478.db2.gz JCFWJJAILPKSDI-UHFFFAOYSA-N 0 0 309.412 6.186 10 0 DKAERN Cn1c2ccccc2c2c1C(c1ccccc1)(c1ccccc1)CC2 ZINC000005331202 181230170 /nfs/dbraw/zinc/23/01/70/181230170.db2.gz TYRKLQWYNCDFIB-UHFFFAOYSA-N 0 0 323.439 5.459 10 0 DKAERN c1ccc(C[C@H]2CCN(Cc3ccccc3)c3ccccc32)cc1 ZINC000005331724 134470500 /nfs/dbraw/zinc/47/05/00/134470500.db2.gz JGICXBDYTIKLCN-OAQYLSRUSA-N 0 0 313.444 5.423 10 0 DKAERN O=C(c1ccccc1Cl)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000005331897 181230485 /nfs/dbraw/zinc/23/04/85/181230485.db2.gz SVCQHGBXWGWFOV-IBGZPJMESA-N 0 0 321.807 5.376 10 0 DKAERN O=C(c1ccccc1Cl)[C@H](Nc1ccccc1)c1ccccc1 ZINC000005331965 181230280 /nfs/dbraw/zinc/23/02/80/181230280.db2.gz SVCQHGBXWGWFOV-LJQANCHMSA-N 0 0 321.807 5.376 10 0 DKAERN c1ccc(-c2c3c(nc4c2CCc2ccccc2-4)CCCC3)cc1 ZINC000005332045 181230240 /nfs/dbraw/zinc/23/02/40/181230240.db2.gz SIOCHONSPMPHQA-UHFFFAOYSA-N 0 0 311.428 5.393 10 0 DKAERN c1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)cn2)cc1 ZINC000005332061 181230357 /nfs/dbraw/zinc/23/03/57/181230357.db2.gz IUZIRMXBXVKDLG-UHFFFAOYSA-N 0 0 307.396 6.083 10 0 DKAERN c1csc(-c2cc(-c3ccccc3)cc(-c3cccs3)n2)c1 ZINC000005332087 181230473 /nfs/dbraw/zinc/23/04/73/181230473.db2.gz MYIPUBKLAVAYOG-UHFFFAOYSA-N 0 0 319.454 6.206 10 0 DKAERN O=C(Cn1c2ccccc2c2ccccc21)c1ccc(Cl)cc1 ZINC000005332222 181230427 /nfs/dbraw/zinc/23/04/27/181230427.db2.gz AISLRIDDPNBWIO-UHFFFAOYSA-N 0 0 319.791 5.331 10 0 DKAERN Cc1cccc(Nc2ncnc3scc(-c4ccccc4)c32)c1 ZINC000005332731 181230458 /nfs/dbraw/zinc/23/04/58/181230458.db2.gz ZNRYZMHECSTHIC-UHFFFAOYSA-N 0 0 317.417 5.410 10 0 DKAERN CCO[C@@H]1C[C@H](c2ccccc2)c2c(ccc3ccccc32)O1 ZINC000005335013 181230702 /nfs/dbraw/zinc/23/07/02/181230702.db2.gz LZEWHBSZZBVZDZ-QUCCMNQESA-N 0 0 304.389 5.117 10 0 DKAERN CCO[C@@H]1C[C@@H](c2ccccc2)c2c(ccc3ccccc32)O1 ZINC000005335029 181230903 /nfs/dbraw/zinc/23/09/03/181230903.db2.gz LZEWHBSZZBVZDZ-ICSRJNTNSA-N 0 0 304.389 5.117 10 0 DKAERN CCO[C@H]1C[C@H](c2ccccc2)c2c(ccc3ccccc32)O1 ZINC000005335679 181230746 /nfs/dbraw/zinc/23/07/46/181230746.db2.gz LZEWHBSZZBVZDZ-UYAOXDASSA-N 0 0 304.389 5.117 10 0 DKAERN CCO[C@H]1C[C@@H](c2ccccc2)c2c(ccc3ccccc32)O1 ZINC000005335696 181231175 /nfs/dbraw/zinc/23/11/75/181231175.db2.gz LZEWHBSZZBVZDZ-AZUAARDMSA-N 0 0 304.389 5.117 10 0 DKAERN O=C(/C=C/c1ccccc1)Nc1ccc(Nc2ccccc2)cc1 ZINC000005338288 181231549 /nfs/dbraw/zinc/23/15/49/181231549.db2.gz VLEXBFLBEHKKTK-LFIBNONCSA-N 0 0 314.388 5.082 10 0 DKAERN O=Cc1cn(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000005338494 181231586 /nfs/dbraw/zinc/23/15/86/181231586.db2.gz FNLBZEIHLHRORN-UHFFFAOYSA-N 0 0 323.395 5.624 10 0 DKAERN CCc1ccc(-c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 ZINC000005341668 181231830 /nfs/dbraw/zinc/23/18/30/181231830.db2.gz LRAZQJZMAUAUFP-UHFFFAOYSA-N 0 0 316.400 5.444 10 0 DKAERN CC(C)(c1ccccc1)c1ccc(OC(=O)c2ccccc2)cc1 ZINC000005358030 181234610 /nfs/dbraw/zinc/23/46/10/181234610.db2.gz IKYNDBQJTHKDIL-UHFFFAOYSA-N 0 0 316.400 5.232 10 0 DKAERN CC(C)(c1ccccc1)c1ccc(OCc2ccccc2)cc1 ZINC000005358050 181234234 /nfs/dbraw/zinc/23/42/34/181234234.db2.gz IZLBYQPKAHATAF-UHFFFAOYSA-N 0 0 302.417 5.592 10 0 DKAERN COc1ccc(-c2coc(-c3ccccc3)n2)c2ccccc12 ZINC000005358416 181234305 /nfs/dbraw/zinc/23/43/05/181234305.db2.gz BZGOOTVVSGHJTQ-UHFFFAOYSA-N 0 0 301.345 5.170 10 0 DKAERN COc1ccc2c(c1)cc(-c1ccccc1)cc2-c1ccccc1 ZINC000005361415 181234502 /nfs/dbraw/zinc/23/45/02/181234502.db2.gz DEBYXGCLNYGFPD-UHFFFAOYSA-N 0 0 310.396 6.182 10 0 DKAERN COc1ccc2ccccc2c1[C@@H](C)c1c[nH]c2ccccc21 ZINC000005368573 181235255 /nfs/dbraw/zinc/23/52/55/181235255.db2.gz BVQIFDNRACEKEG-AWEZNQCLSA-N 0 0 301.389 5.482 10 0 DKAERN S=C(NC1CCCCC1)NC1CCCCCCCCCCC1 ZINC000005375062 181236057 /nfs/dbraw/zinc/23/60/57/181236057.db2.gz JBUNNUXCOJAZRA-UHFFFAOYSA-N 0 0 324.578 5.457 10 0 DKAERN Cc1cc(C)c(-c2nnc(-c3c(C)cc(C)cc3C)o2)c(C)c1 ZINC000005378831 181236277 /nfs/dbraw/zinc/23/62/77/181236277.db2.gz OJDQEMGZFUQXRH-UHFFFAOYSA-N 0 0 306.409 5.254 10 0 DKAERN Cc1cc(O)ccc1[C@H](Sc1ccccc1)c1ccccc1 ZINC000005379269 181236404 /nfs/dbraw/zinc/23/64/04/181236404.db2.gz QARLDAJAAUDEQC-HXUWFJFHSA-N 0 0 306.430 5.582 10 0 DKAERN Cc1cc(O)ccc1[C@@H](Sc1ccccc1)c1ccccc1 ZINC000005379270 181236440 /nfs/dbraw/zinc/23/64/40/181236440.db2.gz QARLDAJAAUDEQC-FQEVSTJZSA-N 0 0 306.430 5.582 10 0 DKAERN Cc1cc2c(s1)c(C(C)C)c1cc(C)sc1c2C(C)C ZINC000005379644 181236400 /nfs/dbraw/zinc/23/64/00/181236400.db2.gz VXFOAJRQTGLEBG-UHFFFAOYSA-N 0 0 302.508 6.980 10 0 DKAERN Cc1cc2nc(-c3ccccc3)nc(-c3ccccc3)c2cc1C ZINC000005379696 181236295 /nfs/dbraw/zinc/23/62/95/181236295.db2.gz WQUPYVQMCLXXEI-UHFFFAOYSA-N 0 0 310.400 5.581 10 0 DKAERN CC(C)CN(CC(C)C)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000005384251 181237057 /nfs/dbraw/zinc/23/70/57/181237057.db2.gz ISWHXQLPLBVIQV-UHFFFAOYSA-N 0 0 309.453 5.108 10 0 DKAERN CC(C)Cc1cc2c3ccccc3n(C)c2cc1-c1ccccc1 ZINC000005384333 181237292 /nfs/dbraw/zinc/23/72/92/181237292.db2.gz USRMRCSOVLBFKX-UHFFFAOYSA-N 0 0 313.444 6.197 10 0 DKAERN CC(C)c1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000005384755 181237436 /nfs/dbraw/zinc/23/74/36/181237436.db2.gz QEKKRFLXQNNGHG-UHFFFAOYSA-N 0 0 308.208 5.369 10 0 DKAERN Clc1ncnc2scc(-c3ccc(-c4ccccc4)cc3)c21 ZINC000005413663 181240287 /nfs/dbraw/zinc/24/02/87/181240287.db2.gz PERNFKKDXKCGPJ-UHFFFAOYSA-N 0 0 322.820 5.679 10 0 DKAERN CC(C)c1ccc(OC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000005413685 181240360 /nfs/dbraw/zinc/24/03/60/181240360.db2.gz SOYGDJIWIXFEML-LFYBBSHMSA-N 0 0 300.785 5.082 10 0 DKAERN CC(C)c1ccccc1NC(=O)c1c(Cl)cccc1Cl ZINC000005413923 181240847 /nfs/dbraw/zinc/24/08/47/181240847.db2.gz DQRJOWAPJZHMTD-UHFFFAOYSA-N 0 0 308.208 5.369 10 0 DKAERN Cc1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)cc1C ZINC000005417320 181240982 /nfs/dbraw/zinc/24/09/82/181240982.db2.gz SBLSSKMRXVHZJV-UHFFFAOYSA-N 0 0 302.373 5.190 10 0 DKAERN CO[C@H](c1ccccc1)[C@@H](c1ccc(C)o1)c1ccc(C)s1 ZINC000005417642 181241199 /nfs/dbraw/zinc/24/11/99/181241199.db2.gz NIUFJGLVTHLJCG-RBUKOAKNSA-N 0 0 312.434 5.478 10 0 DKAERN CO[C@@H](c1ccccc1)[C@@H](c1ccc(C)o1)c1ccc(C)s1 ZINC000005417644 181241304 /nfs/dbraw/zinc/24/13/04/181241304.db2.gz NIUFJGLVTHLJCG-OALUTQOASA-N 0 0 312.434 5.478 10 0 DKAERN CO[C@H](c1ccccc1)[C@H](c1ccc(C)o1)c1ccc(C)s1 ZINC000005417654 181241375 /nfs/dbraw/zinc/24/13/75/181241375.db2.gz NIUFJGLVTHLJCG-RTBURBONSA-N 0 0 312.434 5.478 10 0 DKAERN CO[C@@H](c1ccccc1)[C@H](c1ccc(C)o1)c1ccc(C)s1 ZINC000005417656 181241489 /nfs/dbraw/zinc/24/14/89/181241489.db2.gz NIUFJGLVTHLJCG-MOPGFXCFSA-N 0 0 312.434 5.478 10 0 DKAERN CCCCN(CCCC)C(=O)c1c(Cl)cccc1Cl ZINC000005419376 181241187 /nfs/dbraw/zinc/24/11/87/181241187.db2.gz VKEIUTYESPLVQH-UHFFFAOYSA-N 0 0 302.245 5.036 10 0 DKAERN CC(C)(C)c1ccc(O)c(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000005434575 181242846 /nfs/dbraw/zinc/24/28/46/181242846.db2.gz WRNVIOREVARFLN-UHFFFAOYSA-N 0 0 309.236 5.587 10 0 DKAERN CCN(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000005455209 181245578 /nfs/dbraw/zinc/24/55/78/181245578.db2.gz VPGVVRPOKDOYLL-UHFFFAOYSA-N 0 0 315.416 5.016 10 0 DKAERN CC[C@@H](C)c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1 ZINC000005467964 181247528 /nfs/dbraw/zinc/24/75/28/181247528.db2.gz ZLUUISOZORDZDR-LLVKDONJSA-N 0 0 322.235 5.759 10 0 DKAERN CC[C@H](C)c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1 ZINC000005468793 181247441 /nfs/dbraw/zinc/24/74/41/181247441.db2.gz ZLUUISOZORDZDR-NSHDSACASA-N 0 0 322.235 5.759 10 0 DKAERN CCc1cccc(C)c1NC(=O)c1c(Cl)cccc1Cl ZINC000005471702 181247544 /nfs/dbraw/zinc/24/75/44/181247544.db2.gz YOGGVTHHHOEVIC-UHFFFAOYSA-N 0 0 308.208 5.117 10 0 DKAERN O=C(c1c(-c2ccccc2)c[nH]c1-c1ccccc1)c1ccccc1 ZINC000005490463 181249398 /nfs/dbraw/zinc/24/93/98/181249398.db2.gz MCBUHTLTAHCCCM-UHFFFAOYSA-N 0 0 323.395 5.580 10 0 DKAERN c1ccc(-c2cc(-c3ccccc3)nc(N3CCCC3)c2)cc1 ZINC000005490884 181249367 /nfs/dbraw/zinc/24/93/67/181249367.db2.gz BUAJFOUNHLRNOO-UHFFFAOYSA-N 0 0 300.405 5.016 10 0 DKAERN CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC(C)C ZINC000005510434 181251157 /nfs/dbraw/zinc/25/11/57/181251157.db2.gz XEIOPEQGDSYOIH-MVKOLZDDSA-N 0 0 322.533 6.752 10 0 DKAERN CCCC[C@@H](CC)COC(OC[C@H](CC)CCCC)C(C)C ZINC000005514739 181252641 /nfs/dbraw/zinc/25/26/41/181252641.db2.gz BCZAQIZGCCZLOA-RTBURBONSA-N 0 0 314.554 6.435 10 0 DKAERN CCCC[C@H](CC)COC(OC[C@@H](CC)CCCC)C(C)C ZINC000005515092 181252547 /nfs/dbraw/zinc/25/25/47/181252547.db2.gz BCZAQIZGCCZLOA-OALUTQOASA-N 0 0 314.554 6.435 10 0 DKAERN c1nc(-c2ccccc2)oc1-c1ccc(Oc2ccccc2)cc1 ZINC000005516908 181252674 /nfs/dbraw/zinc/25/26/74/181252674.db2.gz BTRLVQNDCZXPPL-UHFFFAOYSA-N 0 0 313.356 5.801 10 0 DKAERN Oc1c(CCc2ccc3ccccc3c2O)ccc2ccccc21 ZINC000005518431 181252625 /nfs/dbraw/zinc/25/26/25/181252625.db2.gz OYPRMPOZTKLZNK-UHFFFAOYSA-N 0 0 314.384 5.189 10 0 DKAERN Cc1cc(C)c(NC(=O)c2c(Cl)cccc2Cl)c(C)c1 ZINC000005534643 181254603 /nfs/dbraw/zinc/25/46/03/181254603.db2.gz ROCQSIBKLYWTMU-UHFFFAOYSA-N 0 0 308.208 5.171 10 0 DKAERN Cc1ccc(C(=O)NC2CCCCCCCCCCC2)cc1 ZINC000005543568 181255418 /nfs/dbraw/zinc/25/54/18/181255418.db2.gz IGHIGAPDFDPLAI-UHFFFAOYSA-N 0 0 301.474 5.398 10 0 DKAERN Clc1ccc([C@H]2c3ccccc3-c3nc4ccccc4n32)cc1 ZINC000005544075 181255363 /nfs/dbraw/zinc/25/53/63/181255363.db2.gz QQMROAIERMNMSO-IBGZPJMESA-N 0 0 316.791 5.308 10 0 DKAERN Cc1cccc(-c2nc3ccccc3n2CCC2CCCCC2)c1 ZINC000005545670 181255252 /nfs/dbraw/zinc/25/52/52/181255252.db2.gz VMJMWDYFFDXOCL-UHFFFAOYSA-N 0 0 318.464 5.982 10 0 DKAERN Cc1ccc(C)c(Cn2c3ccccc3nc2-c2ccccc2)c1 ZINC000005545674 181255170 /nfs/dbraw/zinc/25/51/70/181255170.db2.gz SSPFQSVAQLFKDB-UHFFFAOYSA-N 0 0 312.416 5.368 10 0 DKAERN CCCCc1nc2ccccc2n1Cc1c(C)c(C)cc(C)c1C ZINC000005545705 181255390 /nfs/dbraw/zinc/25/53/90/181255390.db2.gz CCZIJZJPAPXCBN-UHFFFAOYSA-N 0 0 320.480 5.661 10 0 DKAERN Cc1ccc(OCCCn2c(CC(C)C)nc3ccccc32)cc1 ZINC000005547658 181255967 /nfs/dbraw/zinc/25/59/67/181255967.db2.gz GTNYRCVGIKVBAR-UHFFFAOYSA-N 0 0 322.452 5.012 10 0 DKAERN CCCCc1nc2ccccc2n1Cc1c(C)cc(C)cc1C ZINC000005547666 181255962 /nfs/dbraw/zinc/25/59/62/181255962.db2.gz ZZMDBHKUGXNIAT-UHFFFAOYSA-N 0 0 306.453 5.352 10 0 DKAERN CCCCCc1nc2ccccc2n1Cc1c(C)cc(C)cc1C ZINC000005547668 181256208 /nfs/dbraw/zinc/25/62/08/181256208.db2.gz FNFNTSFDEFKLHM-UHFFFAOYSA-N 0 0 320.480 5.743 10 0 DKAERN CCCCCc1nc2ccccc2n1Cc1cccc(Cl)c1 ZINC000005547673 181256247 /nfs/dbraw/zinc/25/62/47/181256247.db2.gz AHMSXWYMUBWDDW-UHFFFAOYSA-N 0 0 312.844 5.471 10 0 DKAERN CCCCCc1nc2ccccc2n1Cc1cc(C)ccc1C ZINC000005547674 181256149 /nfs/dbraw/zinc/25/61/49/181256149.db2.gz QKJYOEHVNUMGBY-UHFFFAOYSA-N 0 0 306.453 5.434 10 0 DKAERN CC(C)c1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000005547688 181256232 /nfs/dbraw/zinc/25/62/32/181256232.db2.gz MCOANMISUSGJDP-UHFFFAOYSA-N 0 0 319.235 5.515 10 0 DKAERN Clc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000005547702 181255924 /nfs/dbraw/zinc/25/59/24/181255924.db2.gz XQVAAXWMDWEOJR-UHFFFAOYSA-N 0 0 318.807 5.405 10 0 DKAERN Cc1ccc2ccccc2c1CSc1nc2ccccc2o1 ZINC000005547858 181256270 /nfs/dbraw/zinc/25/62/70/181256270.db2.gz CBIZEZOQJFILMA-UHFFFAOYSA-N 0 0 305.402 5.582 10 0 DKAERN Cc1ccccc1C(=O)NC1CCCCCCCCCCC1 ZINC000005549063 181256183 /nfs/dbraw/zinc/25/61/83/181256183.db2.gz VUJMFJOKFZRGDM-UHFFFAOYSA-N 0 0 301.474 5.398 10 0 DKAERN O=C(NC1CCCCCCCCCCC1)c1cccc(Cl)c1 ZINC000005568600 181258612 /nfs/dbraw/zinc/25/86/12/181258612.db2.gz IPAKMIOSSXSSKQ-UHFFFAOYSA-N 0 0 321.892 5.743 10 0 DKAERN Cc1sc2ncnc(Nc3ccc(C(C)(C)C)cc3)c2c1C ZINC000005587332 181261125 /nfs/dbraw/zinc/26/11/25/181261125.db2.gz XMDRSRMCIWXKPH-UHFFFAOYSA-N 0 0 311.454 5.349 10 0 DKAERN COc1cccc(-c2csc(Nc3cc(C)cc(C)c3)n2)c1 ZINC000005587548 181261075 /nfs/dbraw/zinc/26/10/75/181261075.db2.gz GWDBYHZFRQOULL-UHFFFAOYSA-N 0 0 310.422 5.179 10 0 DKAERN Cc1cc(Nc2cccc(C(F)(F)F)c2)nc2ccccc12 ZINC000005587770 181261446 /nfs/dbraw/zinc/26/14/46/181261446.db2.gz XICYNTCBFCVSDM-UHFFFAOYSA-N 0 0 302.299 5.306 10 0 DKAERN CC[C@@H](C)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000005593241 181261784 /nfs/dbraw/zinc/26/17/84/181261784.db2.gz RRNDOAQYUBYMQR-CYBMUJFWSA-N 0 0 324.449 5.256 10 0 DKAERN CC[C@@H](C)c1ccc(O)c(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000005599048 181262233 /nfs/dbraw/zinc/26/22/33/181262233.db2.gz ZGAQOIQSCCPGHY-LLVKDONJSA-N 0 0 309.236 5.803 10 0 DKAERN CC[C@H](C)c1ccc(O)c(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000005599317 181262434 /nfs/dbraw/zinc/26/24/34/181262434.db2.gz ZGAQOIQSCCPGHY-NSHDSACASA-N 0 0 309.236 5.803 10 0 DKAERN O=C(Nc1ccccc1)NC1CCCCCCCCCCC1 ZINC000005603962 181262979 /nfs/dbraw/zinc/26/29/79/181262979.db2.gz UTEBYRODPHQFAR-UHFFFAOYSA-N 0 0 302.462 5.481 10 0 DKAERN CC(C)Oc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000005644346 181267330 /nfs/dbraw/zinc/26/73/30/181267330.db2.gz JGYGTTAHSBPSGM-UHFFFAOYSA-N 0 0 324.207 5.033 10 0 DKAERN C(=C(c1ccccc1)c1ccccc1)c1cc(-c2ccccc2)n[nH]1 ZINC000005647156 181268058 /nfs/dbraw/zinc/26/80/58/181268058.db2.gz RVKYDEQPDQCXLS-UHFFFAOYSA-N 0 0 322.411 5.666 10 0 DKAERN COc1cccc(C(=O)NC2CCCCCCCCCCC2)c1 ZINC000005661986 181268718 /nfs/dbraw/zinc/26/87/18/181268718.db2.gz ABKSVXLQEHKPOO-UHFFFAOYSA-N 0 0 317.473 5.098 10 0 DKAERN CC[C@H](C)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000005665433 181269276 /nfs/dbraw/zinc/26/92/76/181269276.db2.gz RRNDOAQYUBYMQR-ZDUSSCGKSA-N 0 0 324.449 5.256 10 0 DKAERN c1ccc([C@H]2C[C@@H](c3ccccc3)N(c3ccccc3)O2)cc1 ZINC000005666259 181269263 /nfs/dbraw/zinc/26/92/63/181269263.db2.gz VSFTVFBJKLFFHU-LEWJYISDSA-N 0 0 301.389 5.311 10 0 DKAERN c1ccc([C@H]2C[C@H](c3ccccc3)N(c3ccccc3)O2)cc1 ZINC000005666906 181269297 /nfs/dbraw/zinc/26/92/97/181269297.db2.gz VSFTVFBJKLFFHU-NHCUHLMSSA-N 0 0 301.389 5.311 10 0 DKAERN c1ccc([C@H]2C[C@@H](c3ccccc3)ON2c2ccccc2)cc1 ZINC000005666985 181269295 /nfs/dbraw/zinc/26/92/95/181269295.db2.gz VSFTVFBJKLFFHU-RTWAWAEBSA-N 0 0 301.389 5.311 10 0 DKAERN O=C(CCC1CCCCC1)Nc1cc(Cl)ccc1Cl ZINC000005670738 181270076 /nfs/dbraw/zinc/27/00/76/181270076.db2.gz OIXPXJUEQUEBNH-UHFFFAOYSA-N 0 0 300.229 5.292 10 0 DKAERN CCCCc1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000005671669 181270021 /nfs/dbraw/zinc/27/00/21/181270021.db2.gz WFZRIVPSXIDTBC-LFIBNONCSA-N 0 0 321.464 5.805 10 0 DKAERN CC[C@@H](C)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000005673953 181270652 /nfs/dbraw/zinc/27/06/52/181270652.db2.gz QCIULDGWSOHEFE-YGLIYXGISA-N 0 0 313.828 5.505 10 0 DKAERN CC[C@H](C)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000005674127 181270756 /nfs/dbraw/zinc/27/07/56/181270756.db2.gz QCIULDGWSOHEFE-BLXFFLACSA-N 0 0 313.828 5.505 10 0 DKAERN Cc1cc(C)cc(NC(=O)c2ccccc2Oc2ccccc2)c1 ZINC000005679586 181271200 /nfs/dbraw/zinc/27/12/00/181271200.db2.gz NSOLNJYUXGNZNN-UHFFFAOYSA-N 0 0 317.388 5.348 10 0 DKAERN Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2)c(C)c1 ZINC000005681768 181272056 /nfs/dbraw/zinc/27/20/56/181272056.db2.gz WBGRWZFDROVLAE-UHFFFAOYSA-N 0 0 317.388 5.348 10 0 DKAERN Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1C ZINC000005684375 181272068 /nfs/dbraw/zinc/27/20/68/181272068.db2.gz RVXPGCYAIZZFLR-UHFFFAOYSA-N 0 0 317.388 5.348 10 0 DKAERN O=C(Oc1ccc(-c2ccccc2)cc1)c1cc2ccccc2o1 ZINC000005685192 181272241 /nfs/dbraw/zinc/27/22/41/181272241.db2.gz GNXBYEKOLIASMX-UHFFFAOYSA-N 0 0 314.340 5.319 10 0 DKAERN Oc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccccc2)cc1 ZINC000005687434 181272770 /nfs/dbraw/zinc/27/27/70/181272770.db2.gz ZDLIGEJMZLROSZ-UHFFFAOYSA-N 0 0 312.372 5.116 10 0 DKAERN C[C@]1(c2ccccc2)C[C@H](c2ccccc2)Sc2ccccc21 ZINC000005696434 181273437 /nfs/dbraw/zinc/27/34/37/181273437.db2.gz FCVLJNOUCRLVBH-FGZHOGPDSA-N 0 0 316.469 6.230 10 0 DKAERN C[C@]1(c2ccccc2)C[C@@H](c2ccccc2)Sc2ccccc21 ZINC000005696437 181273492 /nfs/dbraw/zinc/27/34/92/181273492.db2.gz FCVLJNOUCRLVBH-FCHUYYIVSA-N 0 0 316.469 6.230 10 0 DKAERN C[C@H]1[C@H](c2ccccc2)c2ccccc2S[C@@H]1c1ccccc1 ZINC000005696820 181273364 /nfs/dbraw/zinc/27/33/64/181273364.db2.gz LJJIASYVSHSLRS-USCONSEESA-N 0 0 316.469 6.302 10 0 DKAERN C[C@@H]1[C@@H](c2ccccc2)Sc2ccccc2[C@@H]1c1ccccc1 ZINC000005696823 181273285 /nfs/dbraw/zinc/27/32/85/181273285.db2.gz LJJIASYVSHSLRS-SSKFGXFMSA-N 0 0 316.469 6.302 10 0 DKAERN C[C@@]1(c2ccccc2)C[C@H](c2ccccc2)Sc2ccccc21 ZINC000005696836 181273223 /nfs/dbraw/zinc/27/32/23/181273223.db2.gz FCVLJNOUCRLVBH-YADHBBJMSA-N 0 0 316.469 6.230 10 0 DKAERN C[C@@]1(c2ccccc2)C[C@@H](c2ccccc2)Sc2ccccc21 ZINC000005696839 181273336 /nfs/dbraw/zinc/27/33/36/181273336.db2.gz FCVLJNOUCRLVBH-VXKWHMMOSA-N 0 0 316.469 6.230 10 0 DKAERN Cc1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccccc1 ZINC000005697242 181273658 /nfs/dbraw/zinc/27/36/58/181273658.db2.gz XATVCDDDFKRQTK-UHFFFAOYSA-N 0 0 310.400 5.515 10 0 DKAERN Cc1cc(Cl)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000005697861 181273767 /nfs/dbraw/zinc/27/37/67/181273767.db2.gz OTPOQVGSVHYRPD-UHFFFAOYSA-N 0 0 315.583 5.174 10 0 DKAERN Cc1cccc(C)c1NC(=O)c1ccccc1Oc1ccccc1 ZINC000005711452 181275308 /nfs/dbraw/zinc/27/53/08/181275308.db2.gz FYSKXBQVHFVPRW-UHFFFAOYSA-N 0 0 317.388 5.348 10 0 DKAERN CCc1cc2c(ncnc2Nc2ccc(Cl)cc2Cl)s1 ZINC000005719355 181276051 /nfs/dbraw/zinc/27/60/51/181276051.db2.gz KRBICZFOPCRJKA-UHFFFAOYSA-N 0 0 324.236 5.304 10 0 DKAERN CCn1c(-c2ccc(C)cc2)cs/c1=N\c1ccc(C)cc1 ZINC000005719496 181276559 /nfs/dbraw/zinc/27/65/59/181276559.db2.gz QCDCMOLJFHPLHW-VXPUYCOJSA-N 0 0 308.450 5.086 10 0 DKAERN Cc1cc(C)c(C(=O)Nc2c(C(C)C)cccc2C(C)C)c(C)c1 ZINC000005724719 181277075 /nfs/dbraw/zinc/27/70/75/181277075.db2.gz QMFJMGKENSKCHV-UHFFFAOYSA-N 0 0 323.480 6.111 10 0 DKAERN Cc1cc(Cl)ccc1OC(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000005724936 181277247 /nfs/dbraw/zinc/27/72/47/181277247.db2.gz HPUCETZQJZNICQ-IZZDOVSWSA-N 0 0 314.812 5.391 10 0 DKAERN Cc1cc(Cl)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000005724944 181276802 /nfs/dbraw/zinc/27/68/02/181276802.db2.gz SNFLOPVLACBBSC-UHFFFAOYSA-N 0 0 302.801 5.165 10 0 DKAERN CC(C)c1cc(Nc2ccc(Cl)cc2)cc(C(C)C)c1O ZINC000005727442 181277894 /nfs/dbraw/zinc/27/78/94/181277894.db2.gz KMPOVGBKPRWUND-UHFFFAOYSA-N 0 0 303.833 6.036 10 0 DKAERN CC(C)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000005727485 181277735 /nfs/dbraw/zinc/27/77/35/181277735.db2.gz AKUKFXVCCJGPGW-UHFFFAOYSA-N 0 0 308.208 5.369 10 0 DKAERN COC(=O)c1c2c(ccc1C(C)C)-c1ccc3ccccc3c1C2 ZINC000005727535 563330199 /nfs/dbraw/zinc/33/01/99/563330199.db2.gz DEBLMLGXYVQDOL-UHFFFAOYSA-N 0 0 316.400 5.321 10 0 DKAERN C[C@@H]1CC(C)(C)Oc2cc(C(C)(C)CC(C)(C)C)c(O)cc21 ZINC000005735560 181278883 /nfs/dbraw/zinc/27/88/83/181278883.db2.gz WPFCIJSORUPKTC-CYBMUJFWSA-N 0 0 304.474 5.771 10 0 DKAERN CCCc1sc(Nc2ccc(C)c(C)c2)nc1-c1ccccc1 ZINC000005736017 181278903 /nfs/dbraw/zinc/27/89/03/181278903.db2.gz ADYJJDPAIAWKKH-UHFFFAOYSA-N 0 0 322.477 6.123 10 0 DKAERN CCCc1sc(Nc2ccc(C)cc2C)nc1-c1ccccc1 ZINC000005736097 181278382 /nfs/dbraw/zinc/27/83/82/181278382.db2.gz OUUNJLGJKLSIII-UHFFFAOYSA-N 0 0 322.477 6.123 10 0 DKAERN CCCc1sc(Nc2ccccc2)nc1-c1ccc(OC)cc1 ZINC000005736106 181278542 /nfs/dbraw/zinc/27/85/42/181278542.db2.gz DVXBZRAQVXWHFL-UHFFFAOYSA-N 0 0 324.449 5.515 10 0 DKAERN CCOc1ccccc1Nc1nc(-c2ccccc2)c(C)s1 ZINC000005737152 181278740 /nfs/dbraw/zinc/27/87/40/181278740.db2.gz YUSMRPJKSORBDN-UHFFFAOYSA-N 0 0 310.422 5.261 10 0 DKAERN Cc1sc(Nc2ccc3ccccc3c2)nc1-c1ccccc1 ZINC000005739575 181279247 /nfs/dbraw/zinc/27/92/47/181279247.db2.gz WBBHMQBIZXFLAP-UHFFFAOYSA-N 0 0 316.429 6.015 10 0 DKAERN Cc1ccc(OC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1 ZINC000005746095 181280046 /nfs/dbraw/zinc/28/00/46/181280046.db2.gz TXIBFNRJKPKOAZ-UHFFFAOYSA-N 0 0 315.583 5.174 10 0 DKAERN Cc1cc(C)c(NC(=O)/C=C/c2cccc3ccccc23)c(C)c1 ZINC000005749534 181280245 /nfs/dbraw/zinc/28/02/45/181280245.db2.gz OCKBXEZIHHBZSN-VAWYXSNFSA-N 0 0 315.416 5.417 10 0 DKAERN Cc1cc(OC(=O)C23CC4CC(CC(C4)C2)C3)ccc1C(C)C ZINC000005749935 181280030 /nfs/dbraw/zinc/28/00/30/181280030.db2.gz MMIYUCNPQPZSPX-UHFFFAOYSA-N 0 0 312.453 5.240 10 0 DKAERN Cc1cc2c(c(-c3c(O)c(C)cc4c3CCCC4)c1O)CCCC2 ZINC000005750223 563331342 /nfs/dbraw/zinc/33/13/42/563331342.db2.gz ZKAPPWYNZSKUFF-UHFFFAOYSA-N 0 0 322.448 5.139 10 0 DKAERN C[C@H]1CC(C)(C)Oc2cc(C(C)(C)CC(C)(C)C)c(O)cc21 ZINC000005751841 181280566 /nfs/dbraw/zinc/28/05/66/181280566.db2.gz WPFCIJSORUPKTC-ZDUSSCGKSA-N 0 0 304.474 5.771 10 0 DKAERN Cc1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccc(C)cc1 ZINC000005753136 181280605 /nfs/dbraw/zinc/28/06/05/181280605.db2.gz BQLJRQGSOVMMPA-UHFFFAOYSA-N 0 0 324.427 5.823 10 0 DKAERN Cc1sc(NC(=O)Nc2ccccc2)nc1-c1ccc(C)cc1 ZINC000005753206 181280719 /nfs/dbraw/zinc/28/07/19/181280719.db2.gz ROKIYMFRAJZKAF-UHFFFAOYSA-N 0 0 323.421 5.071 10 0 DKAERN Cc1ccc(-c2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1 ZINC000005753338 181280758 /nfs/dbraw/zinc/28/07/58/181280758.db2.gz PVJQTGDNMDLFKE-CXUHLZMHSA-N 0 0 314.384 5.281 10 0 DKAERN Cc1ccc(-c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000005753362 181280726 /nfs/dbraw/zinc/28/07/26/181280726.db2.gz IQTUFFRWKZIRCC-UHFFFAOYSA-N 0 0 322.791 5.535 10 0 DKAERN Clc1cc2c3cc(Cl)c(Cl)cc3oc2c(Cl)c1 ZINC000005784029 181283561 /nfs/dbraw/zinc/28/35/61/181283561.db2.gz SPMZHWVRMWWTSY-UHFFFAOYSA-N 0 0 305.975 6.200 10 0 DKAERN Clc1ccc(Oc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000005784661 181283536 /nfs/dbraw/zinc/28/35/36/181283536.db2.gz ZRWRPGGXCSSBAO-UHFFFAOYSA-N 0 0 307.991 6.093 10 0 in-vitro DKAERN Cc1ccc(Cl)cc1NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000005795437 181285244 /nfs/dbraw/zinc/28/52/44/181285244.db2.gz SDKCEWPIWPGVOE-UHFFFAOYSA-N 0 0 317.860 5.193 10 0 DKAERN Cc1cccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC000005796043 181285249 /nfs/dbraw/zinc/28/52/49/181285249.db2.gz DJDFKPIUUFKRNI-UHFFFAOYSA-N 0 0 311.768 5.161 10 0 DKAERN CSC1=Nc2ccccc2N=C(c2ccc(Cl)cc2)C1 ZINC000005811544 181285929 /nfs/dbraw/zinc/28/59/29/181285929.db2.gz BNIMMKNKRKZBSF-UHFFFAOYSA-N 0 0 300.814 5.258 10 0 DKAERN Cc1ccc(-c2ccc(OC(=O)c3cccc(F)c3)cc2)cc1 ZINC000005814800 181286211 /nfs/dbraw/zinc/28/62/11/181286211.db2.gz DITCHMNEOCCMGG-UHFFFAOYSA-N 0 0 306.336 5.020 10 0 DKAERN Cc1ccc(C(=O)NC2CCCCCCCCCCC2)cc1C ZINC000005814863 181286273 /nfs/dbraw/zinc/28/62/73/181286273.db2.gz ULMFQZBIDAWDEH-UHFFFAOYSA-N 0 0 315.501 5.707 10 0 DKAERN Clc1ccc2[nH]c(SCc3ccc4ccccc4c3)nc2c1 ZINC000005819374 181286746 /nfs/dbraw/zinc/28/67/46/181286746.db2.gz AZBZLFPWRBFIOG-UHFFFAOYSA-N 0 0 324.836 5.662 10 0 DKAERN Clc1ccc2oc3c(c2c1)c(Cl)c(Cl)cc3Cl ZINC000005844656 181289221 /nfs/dbraw/zinc/28/92/21/181289221.db2.gz BFTASCFRRBHFFK-UHFFFAOYSA-N 0 0 305.975 6.200 10 0 DKAERN Clc1ccc2oc3c(cc(Cl)c(Cl)c3Cl)c2c1 ZINC000005844678 181289078 /nfs/dbraw/zinc/28/90/78/181289078.db2.gz IIKXRERKNIJJQY-UHFFFAOYSA-N 0 0 305.975 6.200 10 0 DKAERN Clc1ccc2c(c1)oc1cc(Cl)c(Cl)c(Cl)c12 ZINC000005844741 181289195 /nfs/dbraw/zinc/28/91/95/181289195.db2.gz MDNZFYGATDCKRB-UHFFFAOYSA-N 0 0 305.975 6.200 10 0 DKAERN Clc1cccc2c1oc1cc(Cl)c(Cl)c(Cl)c12 ZINC000005845497 181289390 /nfs/dbraw/zinc/28/93/90/181289390.db2.gz BBAXFLIBRPXRBP-UHFFFAOYSA-N 0 0 305.975 6.200 10 0 DKAERN Clc1cccc2c3cc(Cl)c(Cl)c(Cl)c3oc21 ZINC000005845540 181289128 /nfs/dbraw/zinc/28/91/28/181289128.db2.gz JNVHSHPAAMRSKK-UHFFFAOYSA-N 0 0 305.975 6.200 10 0 DKAERN Clc1ccc2c(c1)oc1c2cc(Cl)c(Cl)c1Cl ZINC000005845544 181289315 /nfs/dbraw/zinc/28/93/15/181289315.db2.gz BROFYOSLFHTGCQ-UHFFFAOYSA-N 0 0 305.975 6.200 10 0 DKAERN CC(C)(C)c1ccc(/C=C\C(=O)NCCC2=CCCCC2)cc1 ZINC000005856737 181289813 /nfs/dbraw/zinc/28/98/13/181289813.db2.gz NGFQHJFIKSIMPS-KAMYIIQDSA-N 0 0 311.469 5.004 10 0 DKAERN CC(C)c1ccc(/C=C\C(=O)Nc2cccc3ccccc32)cc1 ZINC000005860330 181290386 /nfs/dbraw/zinc/29/03/86/181290386.db2.gz YFROMLMUYRFFCZ-QINSGFPZSA-N 0 0 315.416 5.615 10 0 DKAERN O=C(COc1ccc(Cl)cc1Cl)c1cc2ccccc2o1 ZINC000005870409 181291686 /nfs/dbraw/zinc/29/16/86/181291686.db2.gz SRAALYCGGDBJSG-UHFFFAOYSA-N 0 0 321.159 5.001 10 0 DKAERN O=C(/C=C/c1cccc2ccccc12)Nc1cccc2ccccc21 ZINC000005876225 181292342 /nfs/dbraw/zinc/29/23/42/181292342.db2.gz RASJZPWBFBEYKB-FOCLMDBBSA-N 0 0 323.395 5.645 10 0 DKAERN Cc1ccc(C(=O)N2c3ccccc3Sc3ccccc32)cc1 ZINC000005928535 134473232 /nfs/dbraw/zinc/47/32/32/134473232.db2.gz BXCIQPXSBSOIQX-UHFFFAOYSA-N 0 0 317.413 5.438 10 0 in-vivo DKAERN Nc1ccc(Sc2ccc(Cl)c(Cl)c2)c2ncccc12 ZINC000005933728 181297993 /nfs/dbraw/zinc/29/79/93/181297993.db2.gz RLCGKIYHIJTEMK-UHFFFAOYSA-N 0 0 321.232 5.275 10 0 DKAERN Fc1cccc(F)c1-c1nc2ccccc2n1Cc1ccccc1 ZINC000005934318 181297688 /nfs/dbraw/zinc/29/76/88/181297688.db2.gz KMDLTYJFNYHMHA-UHFFFAOYSA-N 0 0 320.342 5.030 10 0 DKAERN Fc1cccc(F)c1Cn1c2ccccc2nc1-c1ccccc1 ZINC000005939424 181298389 /nfs/dbraw/zinc/29/83/89/181298389.db2.gz KBOHDHODCNDQPB-UHFFFAOYSA-N 0 0 320.342 5.030 10 0 DKAERN Clc1ccc([C@@H]2c3ccccc3-c3nc4ccccc4n32)cc1 ZINC000005939481 181298456 /nfs/dbraw/zinc/29/84/56/181298456.db2.gz QQMROAIERMNMSO-LJQANCHMSA-N 0 0 316.791 5.308 10 0 DKAERN Cc1ccc2oc(COc3ccc(C4CCCCC4)cc3)nc2c1 ZINC000005942840 181299511 /nfs/dbraw/zinc/29/95/11/181299511.db2.gz YXKGWMMZFDTNCL-UHFFFAOYSA-N 0 0 321.420 5.763 10 0 DKAERN CCCc1sc(Nc2ccc(F)cc2)nc1-c1ccccc1 ZINC000005952282 181300009 /nfs/dbraw/zinc/30/00/09/181300009.db2.gz XOXGSCIZSBJVQM-UHFFFAOYSA-N 0 0 312.413 5.645 10 0 DKAERN CC(C)c1c(O)ccc2c1[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C ZINC000005963330 181301576 /nfs/dbraw/zinc/30/15/76/181301576.db2.gz KTESLAVYKYMODC-GQIGUUNPSA-N 0 0 302.458 5.037 10 0 DKAERN c1ccc(CSc2nc3ccccc3n2-c2ccccc2)cc1 ZINC000005989550 181303587 /nfs/dbraw/zinc/30/35/87/181303587.db2.gz ZRPVGWFAEIQYFB-UHFFFAOYSA-N 0 0 316.429 5.318 10 0 DKAERN Cc1c(Cl)cccc1NC(=O)/C=C\c1ccc(C(C)C)cc1 ZINC000006000608 181304859 /nfs/dbraw/zinc/30/48/59/181304859.db2.gz NEEDRLQLSJQTPG-XFXZXTDPSA-N 0 0 313.828 5.424 10 0 DKAERN C[C@@H](c1ccccc1)c1ccc(O)c([C@@H](C)c2ccccc2)c1 ZINC000006030426 181307171 /nfs/dbraw/zinc/30/71/71/181307171.db2.gz RCFAHSGZAAFQJH-IRXDYDNUSA-N 0 0 302.417 5.696 10 0 DKAERN C[C@H](c1ccccc1)c1cc([C@@H](C)c2ccccc2)ccc1O ZINC000006030427 181306954 /nfs/dbraw/zinc/30/69/54/181306954.db2.gz RCFAHSGZAAFQJH-DLBZAZTESA-N 0 0 302.417 5.696 10 0 DKAERN C[C@H](c1ccccc1)c1ccc(O)c([C@@H](C)c2ccccc2)c1 ZINC000006037192 181306888 /nfs/dbraw/zinc/30/68/88/181306888.db2.gz RCFAHSGZAAFQJH-SJORKVTESA-N 0 0 302.417 5.696 10 0 DKAERN C[C@H](c1ccccc1)c1ccc(O)c([C@H](C)c2ccccc2)c1 ZINC000006037193 181306963 /nfs/dbraw/zinc/30/69/63/181306963.db2.gz RCFAHSGZAAFQJH-IAGOWNOFSA-N 0 0 302.417 5.696 10 0 DKAERN CC(C)c1ccc(NC(=O)c2ccc(-c3ccccc3F)o2)cc1 ZINC000006050050 181308324 /nfs/dbraw/zinc/30/83/24/181308324.db2.gz HENLYAYONMRRBM-UHFFFAOYSA-N 0 0 323.367 5.461 10 0 DKAERN C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@@]43C(F)F)[C@@H]1CCC2=O ZINC000006067855 181310594 /nfs/dbraw/zinc/31/05/94/181310594.db2.gz KMFWEHJTLFYKGK-UNTXSKPGSA-N 0 0 308.412 5.154 10 0 DKAERN Cc1ccccc1C(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000006071861 181310570 /nfs/dbraw/zinc/31/05/70/181310570.db2.gz OIAQWUZWGVIFLM-UHFFFAOYSA-N 0 0 322.492 6.596 10 0 DKAERN Cc1ccccc1-c1nnc(-c2ccc(-c3ccccc3)cc2)[nH]1 ZINC000006071961 181310552 /nfs/dbraw/zinc/31/05/52/181310552.db2.gz NEAMVTMFSSBVQY-UHFFFAOYSA-N 0 0 311.388 5.114 10 0 DKAERN O=C(c1ccc(Cl)cc1)c1cc(C(F)(F)F)ccc1Cl ZINC000006092748 181312206 /nfs/dbraw/zinc/31/22/06/181312206.db2.gz YGHJJGDJMCMVRC-UHFFFAOYSA-N 0 0 319.109 5.243 10 0 in-vitro DKAERN Cc1ccc(NC(=O)CCCSc2ccc(Cl)cc2)cc1 ZINC000006152053 181316497 /nfs/dbraw/zinc/31/64/97/181316497.db2.gz GGQLKFDCLUYQDH-UHFFFAOYSA-N 0 0 319.857 5.159 10 0 DKAERN O=C(Nc1cccc(Cl)c1)c1ccc(Oc2ccccc2)cc1 ZINC000006152327 181316545 /nfs/dbraw/zinc/31/65/45/181316545.db2.gz WFZMWSWIJMGBEC-UHFFFAOYSA-N 0 0 323.779 5.385 10 0 DKAERN O=C(/C=C/c1cccc(Cl)c1)Nc1ccc2ccccc2c1 ZINC000006152878 181316607 /nfs/dbraw/zinc/31/66/07/181316607.db2.gz SYXNXBCACAFQID-DHZHZOJOSA-N 0 0 307.780 5.145 10 0 DKAERN O=C(Oc1ccc(Cl)cc1)C(c1ccccc1)c1ccccc1 ZINC000006153286 181316489 /nfs/dbraw/zinc/31/64/89/181316489.db2.gz MISGYJIDXPKSLC-UHFFFAOYSA-N 0 0 322.791 5.078 10 0 DKAERN CC[C@@H]1CCCCN1C(=O)/C(=C\c1ccccc1)c1ccccc1 ZINC000006168331 181317212 /nfs/dbraw/zinc/31/72/12/181317212.db2.gz RNUULRUVXTYOJP-HTNUNKGTSA-N 0 0 319.448 5.018 10 0 DKAERN Cc1sc(Nc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000006185964 181317634 /nfs/dbraw/zinc/31/76/34/181317634.db2.gz SYEHYVQDEMKQED-UHFFFAOYSA-N 0 0 300.814 5.516 10 0 DKAERN Cc1cc(C)c(C(=O)Oc2cc(C)c(Cl)c(C)c2)c(C)c1 ZINC000006188608 181318448 /nfs/dbraw/zinc/31/84/48/181318448.db2.gz MPBXWSPRJMQJDF-UHFFFAOYSA-N 0 0 302.801 5.101 10 0 DKAERN Cc1cc(C)c(C(=O)Oc2ccc(-c3ccccc3)cc2)c(C)c1 ZINC000006188610 181318527 /nfs/dbraw/zinc/31/85/27/181318527.db2.gz FYYLENOAMQRZSU-UHFFFAOYSA-N 0 0 316.400 5.498 10 0 DKAERN CCCCCC[C@@H](C)NC(=O)c1sc2ccccc2c1Cl ZINC000006203409 181319155 /nfs/dbraw/zinc/31/91/55/181319155.db2.gz XHRDNLSPVCZFEH-GFCCVEGCSA-N 0 0 323.889 5.643 10 0 DKAERN CCCCCC[C@H](C)NC(=O)c1sc2ccccc2c1Cl ZINC000006203418 181319116 /nfs/dbraw/zinc/31/91/16/181319116.db2.gz XHRDNLSPVCZFEH-LBPRGKRZSA-N 0 0 323.889 5.643 10 0 DKAERN Cc1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1C ZINC000006205571 181319141 /nfs/dbraw/zinc/31/91/41/181319141.db2.gz AEDKOWQEMDFAFH-UHFFFAOYSA-N 0 0 313.485 5.411 10 0 DKAERN CSCc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000006214279 181319719 /nfs/dbraw/zinc/31/97/19/181319719.db2.gz DGAGYCWOJUVGFK-UHFFFAOYSA-N 0 0 313.466 5.099 10 0 DKAERN Cc1cccc(OC(=O)c2c(Cl)ccc(Cl)c2Cl)c1 ZINC000006217166 181320307 /nfs/dbraw/zinc/32/03/07/181320307.db2.gz XVBANIKMTMTWQS-UHFFFAOYSA-N 0 0 315.583 5.174 10 0 DKAERN Cc1ccccc1NC(=O)NC1CCCCCCCCCCC1 ZINC000006218294 181320578 /nfs/dbraw/zinc/32/05/78/181320578.db2.gz PFOLLZPBXIWGSI-UHFFFAOYSA-N 0 0 316.489 5.790 10 0 DKAERN Fc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3OCCC[C@H]23)cc1 ZINC000006221881 181320941 /nfs/dbraw/zinc/32/09/41/181320941.db2.gz CUHIQWINGBMLQJ-JLSDUUJJSA-N 0 0 317.791 5.114 10 0 DKAERN Clc1ccc2oc(-c3ccc(C4CCCCC4)cc3)nc2c1 ZINC000006221939 181321157 /nfs/dbraw/zinc/32/11/57/181321157.db2.gz NUOCEBAXAJCARY-UHFFFAOYSA-N 0 0 311.812 6.196 10 0 DKAERN O=C(c1cccc(Cl)c1)N(C1CCCCC1)C1CCCCC1 ZINC000006224870 181320891 /nfs/dbraw/zinc/32/08/91/181320891.db2.gz DMTKIIPHMDLWGR-UHFFFAOYSA-N 0 0 319.876 5.448 10 0 DKAERN Cc1ccc(/C=C/C(=O)Oc2ccc(-c3ccccc3)cc2)cc1 ZINC000006271840 181325016 /nfs/dbraw/zinc/32/50/16/181325016.db2.gz KAMNLLQAJUSIOM-LFIBNONCSA-N 0 0 314.384 5.281 10 0 DKAERN Cc1ccc(C(C)C)c(OCC(=O)c2ccc(Cl)cc2)c1 ZINC000006272321 181325284 /nfs/dbraw/zinc/32/52/84/181325284.db2.gz HAJBXKKDNIRDPM-UHFFFAOYSA-N 0 0 302.801 5.034 10 0 DKAERN CC(C)c1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000006284623 181326252 /nfs/dbraw/zinc/32/62/52/181326252.db2.gz SYPSYDDNJHUUMA-UHFFFAOYSA-N 0 0 322.235 5.047 10 0 DKAERN C/C(=C\c1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000006301548 181328064 /nfs/dbraw/zinc/32/80/64/181328064.db2.gz YASXZEOBDJWMQA-YRNVUSSQSA-N 0 0 306.192 5.035 10 0 DKAERN C/C(=C\c1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000006301581 181327946 /nfs/dbraw/zinc/32/79/46/181327946.db2.gz XKOIYZBYKROSBC-PKNBQFBNSA-N 0 0 306.192 5.035 10 0 DKAERN C/C(=C\c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000006301636 181328049 /nfs/dbraw/zinc/32/80/49/181328049.db2.gz QTBNQUQUKVRMHK-PKNBQFBNSA-N 0 0 306.192 5.035 10 0 DKAERN C/C(=C\c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl ZINC000006301869 181327706 /nfs/dbraw/zinc/32/77/06/181327706.db2.gz YQDQNLPYKRUFJS-ZHACJKMWSA-N 0 0 306.192 5.035 10 0 DKAERN CC(C)(C)c1ccc(C(=O)Oc2ccc(Cl)cc2Cl)cc1 ZINC000006305367 181327811 /nfs/dbraw/zinc/32/78/11/181327811.db2.gz FDTPRFNPCATGPN-UHFFFAOYSA-N 0 0 323.219 5.510 10 0 DKAERN CC(C)CCC[C@@H](C)NC(=O)c1sc2ccccc2c1Cl ZINC000006305750 181327807 /nfs/dbraw/zinc/32/78/07/181327807.db2.gz AGYMRSFHIOBLCR-GFCCVEGCSA-N 0 0 323.889 5.499 10 0 DKAERN CC(C)CCC[C@H](C)NC(=O)c1sc2ccccc2c1Cl ZINC000006305771 181328024 /nfs/dbraw/zinc/32/80/24/181328024.db2.gz AGYMRSFHIOBLCR-LBPRGKRZSA-N 0 0 323.889 5.499 10 0 DKAERN CC[C@@H](C)c1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000006306918 181327670 /nfs/dbraw/zinc/32/76/70/181327670.db2.gz ZIVNUFKKOYIVDR-SNVBAGLBSA-N 0 0 323.223 5.154 10 0 DKAERN CC[C@H](C)c1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000006306921 181327533 /nfs/dbraw/zinc/32/75/33/181327533.db2.gz ZIVNUFKKOYIVDR-JTQLQIEISA-N 0 0 323.223 5.154 10 0 DKAERN CC[C@@H](C)c1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000006308160 181328663 /nfs/dbraw/zinc/32/86/63/181328663.db2.gz GUMPKTXHFVSYMG-GFCCVEGCSA-N 0 0 321.342 5.471 10 0 DKAERN CC[C@H](C)c1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000006308163 181328607 /nfs/dbraw/zinc/32/86/07/181328607.db2.gz GUMPKTXHFVSYMG-LBPRGKRZSA-N 0 0 321.342 5.471 10 0 DKAERN CC[C@@H](C)c1ccccc1NC(=O)c1cnc(Cl)c(Cl)c1 ZINC000006308250 181328479 /nfs/dbraw/zinc/32/84/79/181328479.db2.gz ZNETTXLHYAKKCL-SNVBAGLBSA-N 0 0 323.223 5.154 10 0 DKAERN CC[C@H](C)c1ccccc1NC(=O)c1cnc(Cl)c(Cl)c1 ZINC000006308255 181328597 /nfs/dbraw/zinc/32/85/97/181328597.db2.gz ZNETTXLHYAKKCL-JTQLQIEISA-N 0 0 323.223 5.154 10 0 DKAERN CCCCCn1c(/C=C/c2ccc(OC)cc2)nc2ccccc21 ZINC000006310300 181328720 /nfs/dbraw/zinc/32/87/20/181328720.db2.gz AGXACJDMAANQSN-NTCAYCPXSA-N 0 0 320.436 5.406 10 0 DKAERN CC(C)(C)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000006313565 181328444 /nfs/dbraw/zinc/32/84/44/181328444.db2.gz HZCDZHJWDCXUHT-UHFFFAOYSA-N 0 0 321.342 5.255 10 0 DKAERN CCc1ccc(Nc2ncnc3sc4c(c32)CC[C@@H](C)C4)cc1 ZINC000006319619 181329896 /nfs/dbraw/zinc/32/98/96/181329896.db2.gz HZOXIVJDALCGDG-GFCCVEGCSA-N 0 0 323.465 5.122 10 0 DKAERN CCc1ccc(Nc2ncnc3sc4c(c32)CC[C@H](C)C4)cc1 ZINC000006319621 181329918 /nfs/dbraw/zinc/32/99/18/181329918.db2.gz HZOXIVJDALCGDG-LBPRGKRZSA-N 0 0 323.465 5.122 10 0 DKAERN O=C(Nc1c(Cl)cccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000006329023 181330463 /nfs/dbraw/zinc/33/04/63/181330463.db2.gz JZRFMCSHAGJEKF-UHFFFAOYSA-N 0 0 324.251 5.148 10 0 DKAERN Cc1ccc(C)c(NC(=S)Nc2ccccc2C(C)(C)C)c1 ZINC000006331507 181330800 /nfs/dbraw/zinc/33/08/00/181330800.db2.gz RARHRBRPFOPETR-UHFFFAOYSA-N 0 0 312.482 5.410 10 0 DKAERN O=C(CCC1CCCCC1)Nc1nc(-c2cccs2)cs1 ZINC000006334939 181331294 /nfs/dbraw/zinc/33/12/94/181331294.db2.gz XMACQPHIPWTYGU-UHFFFAOYSA-N 0 0 320.483 5.171 10 0 DKAERN Cc1cccc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC000006339074 181331743 /nfs/dbraw/zinc/33/17/43/181331743.db2.gz HZBSSWUMXAPMGB-UHFFFAOYSA-N 0 0 303.361 5.040 10 0 DKAERN Cc1cccc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1C ZINC000006339979 181332683 /nfs/dbraw/zinc/33/26/83/181332683.db2.gz HCQGZRHTILIPRT-UHFFFAOYSA-N 0 0 317.388 5.348 10 0 DKAERN Cc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)c(C)c1 ZINC000006340319 181332213 /nfs/dbraw/zinc/33/22/13/181332213.db2.gz GVFDPJDORQOETQ-UHFFFAOYSA-N 0 0 317.388 5.348 10 0 DKAERN O=C(CCC1CCCCC1)Nc1nc(-c2ccccc2)cs1 ZINC000006341441 181332601 /nfs/dbraw/zinc/33/26/01/181332601.db2.gz SVVOQCVCTAVKMC-UHFFFAOYSA-N 0 0 314.454 5.109 10 0 DKAERN Clc1ccccc1CSc1nc(-c2ccccc2)cs1 ZINC000006344803 181333301 /nfs/dbraw/zinc/33/33/01/181333301.db2.gz ZSHXHSOIJKYTHP-UHFFFAOYSA-N 0 0 317.866 5.756 10 0 DKAERN Cc1ccc2c(CC(=O)Nc3ccc(C(C)C)cc3)coc2c1 ZINC000006372419 181334826 /nfs/dbraw/zinc/33/48/26/181334826.db2.gz JPJQRTMRVDDJCC-UHFFFAOYSA-N 0 0 307.393 5.046 10 0 DKAERN CC(C)CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000006375405 181334877 /nfs/dbraw/zinc/33/48/77/181334877.db2.gz WUGKWJPWJBOUDD-UHFFFAOYSA-N 0 0 317.816 5.017 10 0 DKAERN Cc1cc(C)cc(NC(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC000006386820 181336516 /nfs/dbraw/zinc/33/65/16/181336516.db2.gz UMCXAAVSIPCDDK-UHFFFAOYSA-N 0 0 317.388 5.348 10 0 DKAERN CC[C@@H](C)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000006391657 181336212 /nfs/dbraw/zinc/33/62/12/181336212.db2.gz LQYVMNGNPLXQHB-LLVKDONJSA-N 0 0 323.219 5.726 10 0 DKAERN O=C(NC1CCCCCCC1)c1ccccc1Oc1ccccc1 ZINC000006393848 181336941 /nfs/dbraw/zinc/33/69/41/181336941.db2.gz JAAHWCKVZBQLRV-UHFFFAOYSA-N 0 0 323.436 5.322 10 0 DKAERN CC[C@H]1CCCCN1C(=O)/C(=C\c1ccccc1)c1ccccc1 ZINC000006397210 181337125 /nfs/dbraw/zinc/33/71/25/181337125.db2.gz RNUULRUVXTYOJP-HOJYTFPLSA-N 0 0 319.448 5.018 10 0 DKAERN C(=C/c1nc2ccccc2n1CCC1CCCCC1)\c1ccco1 ZINC000006400329 181337727 /nfs/dbraw/zinc/33/77/27/181337727.db2.gz OVOIOZYMENVERJ-OUKQBFOZSA-N 0 0 320.436 5.770 10 0 DKAERN C[C@H](NC(=O)CCC1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000006408816 181339016 /nfs/dbraw/zinc/33/90/16/181339016.db2.gz WLOAQQBOXPGSDQ-MEOONVRBSA-N 0 0 317.517 5.068 10 0 DKAERN Brc1ccc(/C=C/c2nc3ccccc3s2)cc1 ZINC000006410409 181339269 /nfs/dbraw/zinc/33/92/69/181339269.db2.gz NRZPZHBCRNHBGZ-JXMROGBWSA-N 0 0 316.223 5.229 10 0 DKAERN C[C@@H](NC(=O)CCC1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000006416294 181338812 /nfs/dbraw/zinc/33/88/12/181338812.db2.gz WLOAQQBOXPGSDQ-OQNUJHGRSA-N 0 0 317.517 5.068 10 0 DKAERN Cc1sc2ncnc(Nc3cccc(Cl)c3C)c2c1C ZINC000006473974 181343759 /nfs/dbraw/zinc/34/37/59/181343759.db2.gz POFWDLJBDZNACU-UHFFFAOYSA-N 0 0 303.818 5.014 10 0 DKAERN Cc1cc(OC(=O)c2ccc(-c3ccccc3)cc2)ccc1Cl ZINC000006477499 181343438 /nfs/dbraw/zinc/34/34/38/181343438.db2.gz GXAINMODRQDQGK-UHFFFAOYSA-N 0 0 322.791 5.535 10 0 DKAERN Cc1ccc(/C=C/C(=O)Oc2ccccc2-c2ccccc2)cc1 ZINC000006478691 181344207 /nfs/dbraw/zinc/34/42/07/181344207.db2.gz PSAWSPHADQABQY-FOCLMDBBSA-N 0 0 314.384 5.281 10 0 DKAERN CC(C)(C)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000006515685 181348462 /nfs/dbraw/zinc/34/84/62/181348462.db2.gz XZHNQFNZCHHWPM-UHFFFAOYSA-N 0 0 322.235 5.543 10 0 DKAERN CCc1sc(Nc2ccc(C)cc2C)nc1-c1ccccc1 ZINC000006518839 181348996 /nfs/dbraw/zinc/34/89/96/181348996.db2.gz ADDPSELGMOGSAV-UHFFFAOYSA-N 0 0 308.450 5.733 10 0 DKAERN Cc1cccc(NC(=O)/C(=C\c2ccccc2)c2ccccc2)c1 ZINC000006523018 181348524 /nfs/dbraw/zinc/34/85/24/181348524.db2.gz RTLDUNABFDRCHQ-PGMHBOJBSA-N 0 0 313.400 5.174 10 0 DKAERN Cc1cccc(C)c1OC(=O)/C=C/c1cccc2ccccc12 ZINC000006524341 181349533 /nfs/dbraw/zinc/34/95/33/181349533.db2.gz JHHOABDGEKOPPX-BUHFOSPRSA-N 0 0 302.373 5.075 10 0 DKAERN O=C(NC1CCCCCC1)/C(=C\c1ccccc1)c1ccccc1 ZINC000006593761 181358622 /nfs/dbraw/zinc/35/86/22/181358622.db2.gz ALYNTFBWCOOXFH-FXBPSFAMSA-N 0 0 319.448 5.066 10 0 DKAERN O=C(Nc1cccc(F)c1)/C(=C\c1ccccc1)c1ccccc1 ZINC000006593927 181358821 /nfs/dbraw/zinc/35/88/21/181358821.db2.gz NWYVCQHFDUAHDP-ZHZULCJRSA-N 0 0 317.363 5.005 10 0 DKAERN Cc1sc2ncnc(N[C@@H](c3cccs3)C(C)C)c2c1C ZINC000006654572 181365620 /nfs/dbraw/zinc/36/56/20/181365620.db2.gz NFXVDFDRANWMMC-CQSZACIVSA-N 0 0 317.483 5.179 10 0 DKAERN Cc1sc2ncnc(N[C@H](c3cccs3)C(C)C)c2c1C ZINC000006654574 181365685 /nfs/dbraw/zinc/36/56/85/181365685.db2.gz NFXVDFDRANWMMC-AWEZNQCLSA-N 0 0 317.483 5.179 10 0 DKAERN Brc1ccccc1-c1csc(-c2cccs2)n1 ZINC000006671478 181368655 /nfs/dbraw/zinc/36/86/55/181368655.db2.gz VQIWULWDLXLFBJ-UHFFFAOYSA-N 0 0 322.252 5.301 10 0 DKAERN COc1c(C(C)C)cc(NC(=O)c2ccccc2)cc1C(C)C ZINC000006782196 181387564 /nfs/dbraw/zinc/38/75/64/181387564.db2.gz HYLVUMBOPJMNEE-UHFFFAOYSA-N 0 0 311.425 5.194 10 0 DKAERN CCc1ccc(NC(=O)c2ccc(-c3ccccc3)s2)cc1 ZINC000006808196 181392501 /nfs/dbraw/zinc/39/25/01/181392501.db2.gz BTQYFWZZDHYVKO-UHFFFAOYSA-N 0 0 307.418 5.230 10 0 aggregator DKAERN Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1ccc(Cl)cc1 ZINC000006826285 181395590 /nfs/dbraw/zinc/39/55/90/181395590.db2.gz REIATNOYWXCQJP-UHFFFAOYSA-N 0 0 313.784 5.264 10 0 DKAERN Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1cccc(Cl)c1 ZINC000006826296 181395657 /nfs/dbraw/zinc/39/56/57/181395657.db2.gz IMUWGMHPCUCHLC-UHFFFAOYSA-N 0 0 313.784 5.264 10 0 DKAERN CC(C)c1ccc(C2=NN(c3ccccc3)C(=S)CC2)cc1 ZINC000006828550 134479065 /nfs/dbraw/zinc/47/90/65/134479065.db2.gz BIQQNLNEUUKVSP-UHFFFAOYSA-N 0 0 308.450 5.142 10 0 DKAERN Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1ccc(C)c(C)c1 ZINC000006846228 190624488 /nfs/dbraw/zinc/62/44/88/190624488.db2.gz VGCADHHETYROLJ-UHFFFAOYSA-N 0 0 307.393 5.227 10 0 DKAERN Cc1c2cc(C)ccc2oc1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000006860143 181398271 /nfs/dbraw/zinc/39/82/71/181398271.db2.gz XCGVQCHQGYAIRY-UHFFFAOYSA-N 0 0 313.784 5.264 10 0 DKAERN Cc1c2cc(C)ccc2oc1C(=O)Nc1ccc2ccccc2c1 ZINC000006860151 181398513 /nfs/dbraw/zinc/39/85/13/181398513.db2.gz ZUDFHFSSSMFKCT-UHFFFAOYSA-N 0 0 315.372 5.455 10 0 DKAERN Cc1c2cc(C)ccc2oc1C(=O)Nc1cccc(Cl)c1C ZINC000006860155 181398509 /nfs/dbraw/zinc/39/85/09/181398509.db2.gz KAIKOMCETNBLHC-UHFFFAOYSA-N 0 0 313.784 5.264 10 0 DKAERN Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1c(C)cccc1C ZINC000006860756 181398366 /nfs/dbraw/zinc/39/83/66/181398366.db2.gz RTCIMTOJVVGSPM-UHFFFAOYSA-N 0 0 307.393 5.227 10 0 DKAERN Cc1ccccc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 ZINC000006861136 181398767 /nfs/dbraw/zinc/39/87/67/181398767.db2.gz DZBBNGDZRVJFMS-UHFFFAOYSA-N 0 0 311.768 5.161 10 0 DKAERN Cc1ccc(-n2cc(-c3ccc(Cl)cc3)[nH]c2=S)c(C)c1 ZINC000006912369 181404913 /nfs/dbraw/zinc/40/49/13/181404913.db2.gz INMGTFPRXUWVCQ-UHFFFAOYSA-N 0 0 314.841 5.472 10 0 DKAERN S=c1[nH]c(-c2ccc(Cl)cc2Cl)cn1-c1ccccc1 ZINC000006923409 563335332 /nfs/dbraw/zinc/33/53/32/563335332.db2.gz RQMZJHLMEMMGLE-UHFFFAOYSA-N 0 0 321.232 5.509 10 0 DKAERN CC(C)c1ccc2nc(NC(=O)/C=C/c3ccccc3)sc2c1 ZINC000007384357 181459274 /nfs/dbraw/zinc/45/92/74/181459274.db2.gz SEWASSRTZGXTRY-DHZHZOJOSA-N 0 0 322.433 5.072 10 0 DKAERN Cc1ccc(C(=O)Nc2nc3ccc(C(C)C)cc3s2)cc1C ZINC000007384499 181459492 /nfs/dbraw/zinc/45/94/92/181459492.db2.gz CEQBBAWDZWHGSA-UHFFFAOYSA-N 0 0 324.449 5.289 10 0 DKAERN CCCCCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1 ZINC000007610343 181479676 /nfs/dbraw/zinc/47/96/76/181479676.db2.gz HJZRFCOGYJSBLO-UHFFFAOYSA-N 0 0 311.425 5.125 10 0 DKAERN CCCCCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1 ZINC000007610369 181479933 /nfs/dbraw/zinc/47/99/33/181479933.db2.gz NUNDISHKDYOVKK-UHFFFAOYSA-N 0 0 311.425 5.125 10 0 DKAERN CCCCOc1ccccc1C(=O)Nc1c(C)cc(C)cc1C ZINC000007659071 181484521 /nfs/dbraw/zinc/48/45/21/181484521.db2.gz MXXCQULEZLDVQS-UHFFFAOYSA-N 0 0 311.425 5.043 10 0 DKAERN CC(C)CCOc1ccccc1C(=O)Nc1ccccc1Cl ZINC000008072371 190630218 /nfs/dbraw/zinc/63/02/18/190630218.db2.gz CTVUIRDOVMPJQL-UHFFFAOYSA-N 0 0 317.816 5.017 10 0 DKAERN FC(F)(F)c1cccc(NCc2c(Cl)cccc2Cl)c1 ZINC000008418357 181555688 /nfs/dbraw/zinc/55/56/88/181555688.db2.gz LIJRPPCPQMYALP-UHFFFAOYSA-N 0 0 320.141 5.624 10 0 DKAERN FC(F)(F)c1ccccc1NCc1c(Cl)cccc1Cl ZINC000008435764 181557237 /nfs/dbraw/zinc/55/72/37/181557237.db2.gz IKTHFCBGVCNISV-UHFFFAOYSA-N 0 0 320.141 5.624 10 0 DKAERN COc1ccc(-c2csc(=S)n2Cc2ccccc2)cc1 ZINC000008487667 181559423 /nfs/dbraw/zinc/55/94/23/181559423.db2.gz PIFWCALFLCGNGB-UHFFFAOYSA-N 0 0 313.447 5.003 10 0 DKAERN CC(C)CCOc1cccc(C(=O)Nc2cccc(Cl)c2)c1 ZINC000008567670 181565371 /nfs/dbraw/zinc/56/53/71/181565371.db2.gz PSKRGAAMKSWDTQ-UHFFFAOYSA-N 0 0 317.816 5.017 10 0 DKAERN Cc1ccccc1Cn1c(Cc2cccs2)nc2ccccc21 ZINC000008786991 181586624 /nfs/dbraw/zinc/58/66/24/181586624.db2.gz NJGITRRESKSMIS-UHFFFAOYSA-N 0 0 318.445 5.045 10 0 DKAERN Cc1cccc(Cn2c(Cc3cccs3)nc3ccccc32)c1 ZINC000008787000 181586704 /nfs/dbraw/zinc/58/67/04/181586704.db2.gz PKQGBWINQKTPEG-UHFFFAOYSA-N 0 0 318.445 5.045 10 0 DKAERN Fc1ccc(-c2nc3ccccc3n2Cc2ccccc2F)cc1 ZINC000008787302 181586557 /nfs/dbraw/zinc/58/65/57/181586557.db2.gz ZSZFNJMSCPAMST-UHFFFAOYSA-N 0 0 320.342 5.030 10 0 DKAERN Fc1ccccc1Cn1c2ccccc2nc1-c1ccccc1F ZINC000008787480 181586524 /nfs/dbraw/zinc/58/65/24/181586524.db2.gz YWPJCNDANGLBLV-UHFFFAOYSA-N 0 0 320.342 5.030 10 0 DKAERN Fc1ccc(Cn2c3ccccc3nc2-c2ccccc2F)cc1 ZINC000008787488 181586335 /nfs/dbraw/zinc/58/63/35/181586335.db2.gz NXIIPFGYCPFQKZ-UHFFFAOYSA-N 0 0 320.342 5.030 10 0 DKAERN CC(C)c1cccc2sc(NC(=O)/C=C/c3ccccc3)nc21 ZINC000008967545 181593757 /nfs/dbraw/zinc/59/37/57/181593757.db2.gz KCAXYZXDZJRIKI-VAWYXSNFSA-N 0 0 322.433 5.072 10 0 DKAERN CC[C@H](C)Oc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000009207817 181607602 /nfs/dbraw/zinc/60/76/02/181607602.db2.gz AZLHLPCDKZXZJC-LBPRGKRZSA-N 0 0 318.804 5.161 10 0 DKAERN Cc1ccc(SCCCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000009473911 181623806 /nfs/dbraw/zinc/62/38/06/181623806.db2.gz WGEQYBDWIIMOJZ-UHFFFAOYSA-N 0 0 319.857 5.159 10 0 DKAERN CCCCCCOc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000009696179 517553254 /nfs/dbraw/zinc/55/32/54/517553254.db2.gz YXUNWVLIDCBETL-UHFFFAOYSA-N 0 0 315.388 5.037 10 0 DKAERN CC(C)CCOc1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000009783954 181640553 /nfs/dbraw/zinc/64/05/53/181640553.db2.gz MQQZJYITYCCFRY-UHFFFAOYSA-N 0 0 317.816 5.017 10 0 DKAERN CSc1cccc2sc(Nc3cccc4ccccc43)nc21 ZINC000010069028 181655735 /nfs/dbraw/zinc/65/57/35/181655735.db2.gz PEYVXSGKBYMTGO-UHFFFAOYSA-N 0 0 322.458 5.915 10 0 DKAERN CSc1ccc2nc(Nc3cccc4ccccc43)sc2c1 ZINC000010069030 181655774 /nfs/dbraw/zinc/65/57/74/181655774.db2.gz KBMFSEPKTKXLIY-UHFFFAOYSA-N 0 0 322.458 5.915 10 0 DKAERN CC[C@H](C)Oc1ccc(C(=O)Nc2cccc3ccccc32)cc1 ZINC000010287328 181663989 /nfs/dbraw/zinc/66/39/89/181663989.db2.gz MCLDWQDKLHGEBM-HNNXBMFYSA-N 0 0 319.404 5.269 10 0 DKAERN CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000010289136 181664074 /nfs/dbraw/zinc/66/40/74/181664074.db2.gz WQVVAOGHKZQGRQ-ZDUSSCGKSA-N 0 0 317.816 5.078 10 0 DKAERN CCCOc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1 ZINC000010383836 181668231 /nfs/dbraw/zinc/66/82/31/181668231.db2.gz CGSJZURDBFNUFU-UHFFFAOYSA-N 0 0 324.207 5.035 10 0 DKAERN CC[C@@H](C)Oc1ccc(NC(=O)c2ccc(C(C)C)cc2)cc1 ZINC000010451752 181670838 /nfs/dbraw/zinc/67/08/38/181670838.db2.gz NXJDQFOPYWVTQJ-OAHLLOKOSA-N 0 0 311.425 5.240 10 0 DKAERN CC[C@H](C)Oc1cccc(NC(=O)c2ccc(C(C)C)cc2)c1 ZINC000010451763 181670992 /nfs/dbraw/zinc/67/09/92/181670992.db2.gz BLPYHUFZRPSMDD-HNNXBMFYSA-N 0 0 311.425 5.240 10 0 DKAERN CC[C@H](C)Oc1cccc(C(=O)Nc2cccc3ccccc32)c1 ZINC000010473502 181672154 /nfs/dbraw/zinc/67/21/54/181672154.db2.gz VMQNMODSXGUDIS-HNNXBMFYSA-N 0 0 319.404 5.269 10 0 DKAERN CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000010473637 181671836 /nfs/dbraw/zinc/67/18/36/181671836.db2.gz PIHPKFKSDZXZQJ-CYBMUJFWSA-N 0 0 317.816 5.078 10 0 DKAERN CC[C@@H](C)Oc1cccc(C(=O)Nc2ccccc2C(C)C)c1 ZINC000010660008 181675986 /nfs/dbraw/zinc/67/59/86/181675986.db2.gz MXHZNGHEYZOXIN-OAHLLOKOSA-N 0 0 311.425 5.240 10 0 DKAERN CC(C)(C)C(=O)Nc1sccc1-c1nc2ccccc2s1 ZINC000010694985 181677165 /nfs/dbraw/zinc/67/71/65/181677165.db2.gz KQKSCXDAMYWHQP-UHFFFAOYSA-N 0 0 316.451 5.009 10 0 DKAERN Cc1cc(-c2ccccn2)c(-c2cc(Cl)cc(Cl)c2)[nH]1 ZINC000011027279 181683503 /nfs/dbraw/zinc/68/35/03/181683503.db2.gz ZIOJCVFGYQKFKI-UHFFFAOYSA-N 0 0 303.192 5.359 10 0 DKAERN Clc1cc(Cl)cc(Nc2nc(Cl)nc3ccccc32)c1 ZINC000011756440 181703284 /nfs/dbraw/zinc/70/32/84/181703284.db2.gz XVJZPOXOSLQFKC-UHFFFAOYSA-N 0 0 324.598 5.334 10 0 DKAERN Cc1cccc(NC(=O)/C=C/c2cccc3ccccc23)c1C ZINC000012403293 181757186 /nfs/dbraw/zinc/75/71/86/181757186.db2.gz DLLKJJIMKDKNDC-BUHFOSPRSA-N 0 0 301.389 5.109 10 0 DKAERN CC[C@@H]1Cc2cc(O)ccc2C2=C1c1ccc(O)cc1C[C@@H]2CC ZINC000012832812 581094214 /nfs/dbraw/zinc/09/42/14/581094214.db2.gz MASYAWHPJCQLSW-OKILXGFUSA-N 0 0 320.432 5.173 10 0 DKAERN COc1c(O)c2c(cc1C(C)C)CC[C@H]1C(C)(C)CCC[C@]21C ZINC000013302332 563909463 /nfs/dbraw/zinc/90/94/63/563909463.db2.gz NCQBQRRNDYBXHO-KKSFZXQISA-N 0 0 316.485 5.554 10 0 biogenic DKAERN COc1cc(/C=C\c2ccc(C(C)C)cc2)cc(OC)c1OC ZINC000013456753 181852022 /nfs/dbraw/zinc/85/20/22/181852022.db2.gz DELSQSIUAAAQDJ-SREVYHEPSA-N 0 0 312.409 5.006 10 0 DKAERN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1NC(=O)c1cccc2ccccc21 ZINC000013464165 563381798 /nfs/dbraw/zinc/38/17/98/563381798.db2.gz LBIVWKPRVGWODT-KNBMTAEXSA-N 0 0 309.453 5.030 10 0 DKAERN CC(C)[C@H]1CC[C@H](C)C[C@@H]1NC(=O)c1cccc2ccccc21 ZINC000013464169 563381966 /nfs/dbraw/zinc/38/19/66/563381966.db2.gz LBIVWKPRVGWODT-VPWXQRGCSA-N 0 0 309.453 5.030 10 0 DKAERN Brc1ccc2[nH]c3c(c2c1)CCCc1ccccc1-3 ZINC000013532079 181858486 /nfs/dbraw/zinc/85/84/86/181858486.db2.gz VYFYYDPIBVMKDY-UHFFFAOYSA-N 0 0 312.210 5.086 10 0 DKAERN COC1=C(c2ccccc2)Sc2ccccc2-n2cccc21 ZINC000013603872 181867841 /nfs/dbraw/zinc/86/78/41/181867841.db2.gz AWMKYXNZIQHXIW-UHFFFAOYSA-N 0 0 305.402 5.055 10 0 in-vivo DKAERN CC(C)COc1cccc(C(=O)Nc2ccc3ccccc3c2)c1 ZINC000013627443 181870129 /nfs/dbraw/zinc/87/01/29/181870129.db2.gz SYBCRSXIQIUCCG-UHFFFAOYSA-N 0 0 319.404 5.127 10 0 DKAERN CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc3ccccc3c2)c1 ZINC000013627450 181870298 /nfs/dbraw/zinc/87/02/98/181870298.db2.gz VCGQUIZLYKQIBX-OAHLLOKOSA-N 0 0 319.404 5.269 10 0 DKAERN CCc1nc(-c2cccc(C)c2)c(-c2ccnc(Cl)c2)s1 ZINC000013673375 181876842 /nfs/dbraw/zinc/87/68/42/181876842.db2.gz RNRMSXZOVRUKJB-UHFFFAOYSA-N 0 0 314.841 5.396 10 0 DKAERN Cc1ccccc1Nc1c(Br)cnc2ccccc21 ZINC000013727199 181885282 /nfs/dbraw/zinc/88/52/82/181885282.db2.gz VFJKWZNWBJQBKP-UHFFFAOYSA-N 0 0 313.198 5.049 10 0 DKAERN CCc1cc(NCc2ccc3ccccc3c2)c(=S)[nH]c1C ZINC000013727842 581094132 /nfs/dbraw/zinc/09/41/32/581094132.db2.gz XUUFVGCRXHMBIL-UHFFFAOYSA-N 0 0 308.450 5.006 10 0 DKAERN CCCCc1ccc(NC(=S)Nc2cc(C)cc(C)c2)cc1 ZINC000013788776 181897367 /nfs/dbraw/zinc/89/73/67/181897367.db2.gz HYBZOGKWNHSSFE-UHFFFAOYSA-N 0 0 312.482 5.455 10 0 DKAERN CCOc1ccccc1NC(=S)Nc1ccccc1C(C)C ZINC000013789419 181896932 /nfs/dbraw/zinc/89/69/32/181896932.db2.gz RFIBKSSFOZXFEI-UHFFFAOYSA-N 0 0 314.454 5.018 10 0 DKAERN CCCCc1ccc(NC(=S)N[C@@H](C)c2ccccc2)cc1 ZINC000013789540 181897332 /nfs/dbraw/zinc/89/73/32/181897332.db2.gz PJUMQGZDJUNDIU-HNNXBMFYSA-N 0 0 312.482 5.077 10 0 DKAERN COC(=O)[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000013829406 181904290 /nfs/dbraw/zinc/90/42/90/181904290.db2.gz LCWYDFQCGCPILG-GBESFXJTSA-N 0 0 312.538 6.235 10 0 DKAERN Cc1c2c(c(C)c(C)c1O)O[C@@](C)([C@@H](C)CCCC(C)C)C2 ZINC000013887413 181908867 /nfs/dbraw/zinc/90/88/67/181908867.db2.gz NWJMUDLPLBGFKN-RNODOKPDSA-N 0 0 304.474 5.473 10 0 DKAERN Cc1c2c(c(C)c(C)c1O)O[C@](C)([C@@H](C)CCCC(C)C)C2 ZINC000013887415 181908922 /nfs/dbraw/zinc/90/89/22/181908922.db2.gz NWJMUDLPLBGFKN-RBZFPXEDSA-N 0 0 304.474 5.473 10 0 DKAERN Clc1ccccc1[C@@H]1c2ccccc2CNc2ccccc21 ZINC000013913488 181909411 /nfs/dbraw/zinc/90/94/11/181909411.db2.gz MFPYWSILPWVBNU-FQEVSTJZSA-N 0 0 305.808 5.446 10 0 DKAERN CC(C)COc1ccccc1C(=O)Nc1cccc2ccccc21 ZINC000014034769 181922124 /nfs/dbraw/zinc/92/21/24/181922124.db2.gz SICJJMMESXOIDF-UHFFFAOYSA-N 0 0 319.404 5.127 10 0 DKAERN COc1c2ccc(C)c3c2c2c(c1C(C)C)OC(C)(C)[C@H]2CC3 ZINC000014679549 181965456 /nfs/dbraw/zinc/96/54/56/181965456.db2.gz CJIPRXHPKFHPKN-HNNXBMFYSA-N 0 0 310.437 5.481 10 0 biogenic DKAERN Cc1ccc2cc(C(C)C)c(O)c3oc(C(=O)C(C)C)cc1c23 ZINC000014679557 181965381 /nfs/dbraw/zinc/96/53/81/181965381.db2.gz MFIBMNCGUNADDA-UHFFFAOYSA-N 0 0 310.393 5.562 10 0 biogenic DKAERN Cc1nc2c(o1)c1c(c3ccc4c(c23)CCCC4(C)C)OC[C@H]1C ZINC000014690018 290942659 /nfs/dbraw/zinc/94/26/59/290942659.db2.gz VGFRZPFHPPQFQG-LLVKDONJSA-N 0 0 321.420 5.399 10 0 biogenic,in-vitro DKAERN Cc1nc2c(o1)c1c(c3ccc4c(c23)CCCC4(C)C)OC[C@@H]1C ZINC000014690020 181965472 /nfs/dbraw/zinc/96/54/72/181965472.db2.gz VGFRZPFHPPQFQG-NSHDSACASA-N 0 0 321.420 5.399 10 0 biogenic DKAERN Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1Cl ZINC000014777006 190639796 /nfs/dbraw/zinc/63/97/96/190639796.db2.gz KTZYAFNFCRFSFU-UHFFFAOYSA-N 0 0 315.583 5.174 10 0 DKAERN CCC(C)(C)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 ZINC000014777198 190639966 /nfs/dbraw/zinc/63/99/66/190639966.db2.gz DXJJXWPZEUPSJK-UHFFFAOYSA-N 0 0 302.801 5.247 10 0 DKAERN Cc1cc(C(C)(C)C)ccc1OC(=O)c1cccc(Cl)c1 ZINC000014778463 190640337 /nfs/dbraw/zinc/64/03/37/190640337.db2.gz ZNYRHTYNSYKJIS-UHFFFAOYSA-N 0 0 302.801 5.165 10 0 DKAERN Cc1ccc(Cl)cc1NCc1ccc(Br)cc1 ZINC000015416956 182001056 /nfs/dbraw/zinc/00/10/56/182001056.db2.gz IREMDZSYLMWTPW-UHFFFAOYSA-N 0 0 310.622 5.023 10 0 DKAERN CC[C@@H](C)c1ccccc1NC(=O)c1cc(Cl)ccc1F ZINC000015585193 182008365 /nfs/dbraw/zinc/00/83/65/182008365.db2.gz ROYKUMBIDXHIRE-LLVKDONJSA-N 0 0 305.780 5.245 10 0 DKAERN CC[C@H](C)c1ccccc1NC(=O)c1cc(Cl)ccc1F ZINC000015585195 182008375 /nfs/dbraw/zinc/00/83/75/182008375.db2.gz ROYKUMBIDXHIRE-NSHDSACASA-N 0 0 305.780 5.245 10 0 DKAERN CC[C@@H](C)c1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1 ZINC000015661208 182010342 /nfs/dbraw/zinc/01/03/42/182010342.db2.gz INBWNNWAGXENIC-SNVBAGLBSA-N 0 0 323.223 5.154 10 0 DKAERN CC[C@H](C)c1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1 ZINC000015661209 182010303 /nfs/dbraw/zinc/01/03/03/182010303.db2.gz INBWNNWAGXENIC-JTQLQIEISA-N 0 0 323.223 5.154 10 0 DKAERN CC[C@@H](C)c1ccccc1NC(=O)c1oc2ccccc2c1C ZINC000015964386 182026771 /nfs/dbraw/zinc/02/67/71/182026771.db2.gz COMRHOFGXYAFJL-CYBMUJFWSA-N 0 0 307.393 5.507 10 0 DKAERN CC[C@H](C)c1ccccc1NC(=O)c1oc2ccccc2c1C ZINC000015964387 182026278 /nfs/dbraw/zinc/02/62/78/182026278.db2.gz COMRHOFGXYAFJL-ZDUSSCGKSA-N 0 0 307.393 5.507 10 0 DKAERN CC[C@@H](C)c1ccccc1NC(=O)c1nc(Cl)ccc1Cl ZINC000015965014 182026367 /nfs/dbraw/zinc/02/63/67/182026367.db2.gz OUTDIRNZYVECRZ-SNVBAGLBSA-N 0 0 323.223 5.154 10 0 DKAERN CC[C@H](C)c1ccccc1NC(=O)c1nc(Cl)ccc1Cl ZINC000015965015 182026630 /nfs/dbraw/zinc/02/66/30/182026630.db2.gz OUTDIRNZYVECRZ-JTQLQIEISA-N 0 0 323.223 5.154 10 0 DKAERN Clc1ccc(-c2cc(-c3ccccc3)c3c(n2)CCCC3)cc1 ZINC000016492734 182047691 /nfs/dbraw/zinc/04/76/91/182047691.db2.gz ZSHJNEJXYABLAO-UHFFFAOYSA-N 0 0 319.835 5.948 10 0 DKAERN O=C(Nc1nccc2ccccc21)c1ccccc1-c1ccccc1 ZINC000016493260 182047591 /nfs/dbraw/zinc/04/75/91/182047591.db2.gz GCEBCEBGZIYDHG-UHFFFAOYSA-N 0 0 324.383 5.154 10 0 DKAERN CC(=O)c1ccc(-c2ccc(OCc3ccccc3)cc2)s1 ZINC000016947338 182065876 /nfs/dbraw/zinc/06/58/76/182065876.db2.gz KSFXDYGCYSKKKT-UHFFFAOYSA-N 0 0 308.402 5.197 10 0 DKAERN CC(=O)c1ccc(-c2cccc(OCc3ccccc3)c2)s1 ZINC000016948161 182066022 /nfs/dbraw/zinc/06/60/22/182066022.db2.gz LUSIXIZJSOWRRU-UHFFFAOYSA-N 0 0 308.402 5.197 10 0 DKAERN CCC/C=C\C/C=C\CCCCCCCc1cccc(O)c1 ZINC000017312468 560090979 /nfs/dbraw/zinc/09/09/79/560090979.db2.gz FAYVLNWNMNHXGA-UTOQUPLUSA-N 0 0 300.486 6.578 10 0 biogenic,in-vitro DKAERN CCCC(CCC)C(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000018042257 182090618 /nfs/dbraw/zinc/09/06/18/182090618.db2.gz UCSMWLKJQCISTH-UHFFFAOYSA-N 0 0 323.436 5.073 10 0 DKAERN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)C1CCCC1 ZINC000018891007 182102609 /nfs/dbraw/zinc/10/26/09/182102609.db2.gz USYHLZRRMVAIBF-UHFFFAOYSA-N 0 0 322.433 5.092 10 0 DKAERN CCCC1CCC(c2ccc(-c3ncc(CC)cn3)cc2)CC1 ZINC000019074736 182104110 /nfs/dbraw/zinc/10/41/10/182104110.db2.gz HJUKAGOXFQYDDB-UHFFFAOYSA-N 0 0 308.469 5.780 10 0 DKAERN CSc1ccc(CNc2ccccc2SC(F)F)cc1 ZINC000019230375 182108876 /nfs/dbraw/zinc/10/88/76/182108876.db2.gz RYGUIHZQZSHIQL-UHFFFAOYSA-N 0 0 311.422 5.335 10 0 DKAERN C[C@@H](Nc1cccc(Cl)c1)c1cc(Cl)ccc1Cl ZINC000019230389 182109083 /nfs/dbraw/zinc/10/90/83/182109083.db2.gz RACNASKJKUBEQU-SECBINFHSA-N 0 0 300.616 5.820 10 0 DKAERN C[C@H](Nc1cccc(Cl)c1)c1cc(Cl)ccc1Cl ZINC000019230391 182108960 /nfs/dbraw/zinc/10/89/60/182108960.db2.gz RACNASKJKUBEQU-VIFPVBQESA-N 0 0 300.616 5.820 10 0 DKAERN C[C@@H](Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1 ZINC000019230476 182108847 /nfs/dbraw/zinc/10/88/47/182108847.db2.gz SUTKFGWQLJGFAD-SECBINFHSA-N 0 0 300.616 5.820 10 0 DKAERN C[C@H](Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1 ZINC000019230477 182109287 /nfs/dbraw/zinc/10/92/87/182109287.db2.gz SUTKFGWQLJGFAD-VIFPVBQESA-N 0 0 300.616 5.820 10 0 DKAERN Clc1ccc(CNc2ccnc3cc(Cl)ccc32)cc1 ZINC000019230486 182109063 /nfs/dbraw/zinc/10/90/63/182109063.db2.gz AKQZWFAONKRYTD-UHFFFAOYSA-N 0 0 303.192 5.154 10 0 DKAERN C[C@@H](Nc1ccc(Cl)cc1Cl)c1cc(F)ccc1F ZINC000019230524 182109067 /nfs/dbraw/zinc/10/90/67/182109067.db2.gz SSJCCYMLIONUQX-MRVPVSSYSA-N 0 0 302.151 5.445 10 0 DKAERN C[C@H](Nc1ccc(Cl)cc1Cl)c1cc(F)ccc1F ZINC000019230525 182108725 /nfs/dbraw/zinc/10/87/25/182108725.db2.gz SSJCCYMLIONUQX-QMMMGPOBSA-N 0 0 302.151 5.445 10 0 DKAERN FC(F)(F)c1cccc(NCc2cccc(Cl)c2Cl)c1 ZINC000019230747 182109581 /nfs/dbraw/zinc/10/95/81/182109581.db2.gz BGRNRGQGPMZXPN-UHFFFAOYSA-N 0 0 320.141 5.624 10 0 DKAERN Cc1ccc(F)cc1N[C@H](C)c1cccc(Br)c1 ZINC000019230793 182109664 /nfs/dbraw/zinc/10/96/64/182109664.db2.gz MNNVUSHUQAETQE-LLVKDONJSA-N 0 0 308.194 5.070 10 0 DKAERN Cc1ccc(F)cc1N[C@@H](C)c1cccc(Br)c1 ZINC000019230794 182109704 /nfs/dbraw/zinc/10/97/04/182109704.db2.gz MNNVUSHUQAETQE-NSHDSACASA-N 0 0 308.194 5.070 10 0 DKAERN FC(F)Oc1ccc(CNc2cc(Cl)ccc2Cl)cc1 ZINC000019230928 182109516 /nfs/dbraw/zinc/10/95/16/182109516.db2.gz NDUIHNACJKADOY-UHFFFAOYSA-N 0 0 318.150 5.207 10 0 DKAERN CC[C@@H](Nc1ccc(C)c(C)c1)c1ccc(Br)cc1 ZINC000019230977 182109480 /nfs/dbraw/zinc/10/94/80/182109480.db2.gz AURNYXCROKBPPB-QGZVFWFLSA-N 0 0 318.258 5.629 10 0 DKAERN CC[C@H](Nc1ccc(C)c(C)c1)c1ccc(Br)cc1 ZINC000019230978 182109585 /nfs/dbraw/zinc/10/95/85/182109585.db2.gz AURNYXCROKBPPB-KRWDZBQOSA-N 0 0 318.258 5.629 10 0 DKAERN Cc1ccc([C@@H](C)Nc2ccccc2SC(F)F)c(C)c1 ZINC000019230999 182109532 /nfs/dbraw/zinc/10/95/32/182109532.db2.gz HAOMRJRFPIUSHA-CYBMUJFWSA-N 0 0 307.409 5.791 10 0 DKAERN Cc1ccc([C@H](C)Nc2ccccc2SC(F)F)c(C)c1 ZINC000019231001 182109513 /nfs/dbraw/zinc/10/95/13/182109513.db2.gz HAOMRJRFPIUSHA-ZDUSSCGKSA-N 0 0 307.409 5.791 10 0 DKAERN C[C@@H](Nc1cccc(C(F)(F)F)c1)c1cc(F)ccc1F ZINC000019231050 182109514 /nfs/dbraw/zinc/10/95/14/182109514.db2.gz VTLTXHBBOJHTCO-SECBINFHSA-N 0 0 301.258 5.157 10 0 DKAERN C[C@H](Nc1cccc(C(F)(F)F)c1)c1cc(F)ccc1F ZINC000019231051 182109743 /nfs/dbraw/zinc/10/97/43/182109743.db2.gz VTLTXHBBOJHTCO-VIFPVBQESA-N 0 0 301.258 5.157 10 0 DKAERN Cc1cc(C)cc(N[C@H](C)c2cccc(Br)c2)c1 ZINC000019231220 182109656 /nfs/dbraw/zinc/10/96/56/182109656.db2.gz ZNZGDSPJWNPTSP-CYBMUJFWSA-N 0 0 304.231 5.239 10 0 DKAERN Cc1cc(C)cc(N[C@@H](C)c2cccc(Br)c2)c1 ZINC000019231221 182109491 /nfs/dbraw/zinc/10/94/91/182109491.db2.gz ZNZGDSPJWNPTSP-ZDUSSCGKSA-N 0 0 304.231 5.239 10 0 DKAERN C[C@@H](Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1F ZINC000019231380 182109702 /nfs/dbraw/zinc/10/97/02/182109702.db2.gz CDUCKDWTJNTBFS-SECBINFHSA-N 0 0 317.713 5.671 10 0 DKAERN C[C@H](Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1F ZINC000019231381 182109741 /nfs/dbraw/zinc/10/97/41/182109741.db2.gz CDUCKDWTJNTBFS-VIFPVBQESA-N 0 0 317.713 5.671 10 0 DKAERN Cc1ccc(F)cc1N[C@H](C)c1ccc(Br)cc1 ZINC000019231666 190644592 /nfs/dbraw/zinc/64/45/92/190644592.db2.gz VISIWBLOUHNSCS-LLVKDONJSA-N 0 0 308.194 5.070 10 0 DKAERN Cc1ccc(F)cc1N[C@@H](C)c1ccc(Br)cc1 ZINC000019231667 190644666 /nfs/dbraw/zinc/64/46/66/190644666.db2.gz VISIWBLOUHNSCS-NSHDSACASA-N 0 0 308.194 5.070 10 0 DKAERN Cc1cc(C)c(CNc2ccc(Br)c(C)c2)c(C)c1 ZINC000019231815 190644552 /nfs/dbraw/zinc/64/45/52/190644552.db2.gz IWCMFDRZOHSHLC-UHFFFAOYSA-N 0 0 318.258 5.295 10 0 DKAERN Cc1cc(Cl)ccc1NCc1ccc(Cl)cc1Cl ZINC000019231847 190644590 /nfs/dbraw/zinc/64/45/90/190644590.db2.gz OOLMJRYHKKBXMK-UHFFFAOYSA-N 0 0 300.616 5.567 10 0 DKAERN CC(C)c1ccc(N[C@@H](C)c2ccccc2Br)cc1 ZINC000019231928 182109980 /nfs/dbraw/zinc/10/99/80/182109980.db2.gz DNFALLDPGMJGTQ-ZDUSSCGKSA-N 0 0 318.258 5.746 10 0 DKAERN CC(C)c1ccc(N[C@H](C)c2ccccc2Br)cc1 ZINC000019231929 182110391 /nfs/dbraw/zinc/11/03/91/182110391.db2.gz DNFALLDPGMJGTQ-CYBMUJFWSA-N 0 0 318.258 5.746 10 0 DKAERN Cc1ccc(NCc2ccccc2Br)cc1Cl ZINC000019231967 182110435 /nfs/dbraw/zinc/11/04/35/182110435.db2.gz ZMTUTLUTLHTHOD-UHFFFAOYSA-N 0 0 310.622 5.023 10 0 DKAERN COc1ccc(Oc2c(N)cccc2Cl)c(C(C)(C)C)c1 ZINC000019231989 182110078 /nfs/dbraw/zinc/11/00/78/182110078.db2.gz AUMRDDCJYCWLMF-UHFFFAOYSA-N 0 0 305.805 5.021 10 0 DKAERN Clc1ccc(NCc2ccc3ccccc3c2)c(Cl)c1 ZINC000019232039 182110480 /nfs/dbraw/zinc/11/04/80/182110480.db2.gz CPTVDWKTWBOWQS-UHFFFAOYSA-N 0 0 302.204 5.759 10 0 DKAERN CC[C@@H](Nc1cc(Cl)cc(Cl)c1)c1cccc(Cl)c1 ZINC000019232112 182110239 /nfs/dbraw/zinc/11/02/39/182110239.db2.gz LCOJMMWXVXSIDF-OAHLLOKOSA-N 0 0 314.643 6.210 10 0 DKAERN CC[C@H](Nc1cc(Cl)cc(Cl)c1)c1cccc(Cl)c1 ZINC000019232113 182109947 /nfs/dbraw/zinc/10/99/47/182109947.db2.gz LCOJMMWXVXSIDF-HNNXBMFYSA-N 0 0 314.643 6.210 10 0 DKAERN Clc1ccc(NCc2ccc3ccccc3c2)cc1Cl ZINC000019232128 182109967 /nfs/dbraw/zinc/10/99/67/182109967.db2.gz ZOSJDWQSVCVDPC-UHFFFAOYSA-N 0 0 302.204 5.759 10 0 DKAERN C[C@@H]1CCC[C@@H](C)C1Nc1ccc(Cl)cc1C(F)(F)F ZINC000019232423 182110377 /nfs/dbraw/zinc/11/03/77/182110377.db2.gz GHQHNGAFHCAKNQ-NXEZZACHSA-N 0 0 305.771 5.595 10 0 DKAERN C[C@@H]1CCC[C@H](C)C1Nc1ccc(Cl)cc1C(F)(F)F ZINC000019232424 182110280 /nfs/dbraw/zinc/11/02/80/182110280.db2.gz GHQHNGAFHCAKNQ-XFLKPENQSA-N 0 0 305.771 5.595 10 0 DKAERN C[C@H]1CCC[C@H](C)C1Nc1ccc(Cl)cc1C(F)(F)F ZINC000019232425 182110393 /nfs/dbraw/zinc/11/03/93/182110393.db2.gz GHQHNGAFHCAKNQ-UWVGGRQHSA-N 0 0 305.771 5.595 10 0 DKAERN COc1ccc(NCc2ccc(Cl)cc2Cl)cc1Cl ZINC000019232540 182110461 /nfs/dbraw/zinc/11/04/61/182110461.db2.gz OZPLIPVCLRVDIV-UHFFFAOYSA-N 0 0 316.615 5.268 10 0 DKAERN Clc1cccc(CNc2cccc(Cl)c2Cl)c1Cl ZINC000019232557 182110270 /nfs/dbraw/zinc/11/02/70/182110270.db2.gz KXWRVYNCGWFLHS-UHFFFAOYSA-N 0 0 321.034 5.912 10 0 DKAERN Cc1ccc(N[C@@H](C)CCc2ccccc2)c(Br)c1 ZINC000019232599 182110519 /nfs/dbraw/zinc/11/05/19/182110519.db2.gz BLAVGHPWGHEGAB-AWEZNQCLSA-N 0 0 318.258 5.191 10 0 DKAERN Cc1ccc(N[C@H](C)CCc2ccccc2)c(Br)c1 ZINC000019232600 182110343 /nfs/dbraw/zinc/11/03/43/182110343.db2.gz BLAVGHPWGHEGAB-CQSZACIVSA-N 0 0 318.258 5.191 10 0 DKAERN CC(C)(C)[C@@H]1CCCC[C@@H]1Nc1ccccc1Br ZINC000019232688 182110441 /nfs/dbraw/zinc/11/04/41/182110441.db2.gz AVPZOCUNRICOEI-OCCSQVGLSA-N 0 0 310.279 5.466 10 0 DKAERN CC(C)(C)[C@H]1CCCC[C@@H]1Nc1ccccc1Br ZINC000019232689 182110102 /nfs/dbraw/zinc/11/01/02/182110102.db2.gz AVPZOCUNRICOEI-JSGCOSHPSA-N 0 0 310.279 5.466 10 0 DKAERN CC(C)(C)[C@@H]1CCCC[C@H]1Nc1ccccc1Br ZINC000019232690 182110032 /nfs/dbraw/zinc/11/00/32/182110032.db2.gz AVPZOCUNRICOEI-TZMCWYRMSA-N 0 0 310.279 5.466 10 0 DKAERN CC(C)(C)[C@H]1CCCC[C@H]1Nc1ccccc1Br ZINC000019232691 182110332 /nfs/dbraw/zinc/11/03/32/182110332.db2.gz AVPZOCUNRICOEI-GXTWGEPZSA-N 0 0 310.279 5.466 10 0 DKAERN Cc1ccc([C@@H](C)Nc2ccc(OC(F)(F)F)cc2)s1 ZINC000019232810 182110268 /nfs/dbraw/zinc/11/02/68/182110268.db2.gz UCARAQCXRQZELP-SNVBAGLBSA-N 0 0 301.333 5.128 10 0 DKAERN Cc1ccc([C@H](C)Nc2ccc(OC(F)(F)F)cc2)s1 ZINC000019232811 182110503 /nfs/dbraw/zinc/11/05/03/182110503.db2.gz UCARAQCXRQZELP-JTQLQIEISA-N 0 0 301.333 5.128 10 0 DKAERN CC[C@@H](Nc1ccc(Br)cc1C)c1ccccc1 ZINC000019232834 182110222 /nfs/dbraw/zinc/11/02/22/182110222.db2.gz OTSDTPHUHYCMNL-OAHLLOKOSA-N 0 0 304.231 5.321 10 0 DKAERN CC[C@H](Nc1ccc(Br)cc1C)c1ccccc1 ZINC000019232835 182110493 /nfs/dbraw/zinc/11/04/93/182110493.db2.gz OTSDTPHUHYCMNL-HNNXBMFYSA-N 0 0 304.231 5.321 10 0 DKAERN Cc1ccc(NCc2ccccc2OC(F)(F)F)cc1Cl ZINC000019232950 182110457 /nfs/dbraw/zinc/11/04/57/182110457.db2.gz GBCWMJFTLWRTIT-UHFFFAOYSA-N 0 0 315.722 5.159 10 0 DKAERN CC(C)c1ccccc1N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000019232981 182109970 /nfs/dbraw/zinc/10/99/70/182109970.db2.gz NZUYYYDYRXSVSW-LBPRGKRZSA-N 0 0 308.252 6.290 10 0 DKAERN CC(C)c1ccccc1N[C@H](C)c1ccc(Cl)cc1Cl ZINC000019232983 182110462 /nfs/dbraw/zinc/11/04/62/182110462.db2.gz NZUYYYDYRXSVSW-GFCCVEGCSA-N 0 0 308.252 6.290 10 0 DKAERN C[C@@H](Nc1ccc(F)c(F)c1F)c1ccc(Cl)c(Cl)c1 ZINC000019233002 182110188 /nfs/dbraw/zinc/11/01/88/182110188.db2.gz YEWCTVKUAHPFCV-SSDOTTSWSA-N 0 0 320.141 5.584 10 0 DKAERN C[C@H](Nc1ccc(F)c(F)c1F)c1ccc(Cl)c(Cl)c1 ZINC000019233003 182110292 /nfs/dbraw/zinc/11/02/92/182110292.db2.gz YEWCTVKUAHPFCV-ZETCQYMHSA-N 0 0 320.141 5.584 10 0 DKAERN CC(C)CC(CC(C)C)Nc1ccc(Br)cc1F ZINC000019233168 182110161 /nfs/dbraw/zinc/11/01/61/182110161.db2.gz UKZAMBQVOOPELH-UHFFFAOYSA-N 0 0 316.258 5.461 10 0 DKAERN C[C@@H](Nc1ccccc1Cl)c1ccc(OC(F)(F)F)cc1 ZINC000019233169 182110331 /nfs/dbraw/zinc/11/03/31/182110331.db2.gz BMZOGPSNKPWOEG-SNVBAGLBSA-N 0 0 315.722 5.412 10 0 DKAERN C[C@H](Nc1ccccc1Cl)c1ccc(OC(F)(F)F)cc1 ZINC000019233170 182110180 /nfs/dbraw/zinc/11/01/80/182110180.db2.gz BMZOGPSNKPWOEG-JTQLQIEISA-N 0 0 315.722 5.412 10 0 DKAERN C[C@@H](Nc1ccccc1SC(F)F)c1c(F)cccc1F ZINC000019233247 182110378 /nfs/dbraw/zinc/11/03/78/182110378.db2.gz SSWJNUISTXYBGW-SECBINFHSA-N 0 0 315.335 5.453 10 0 DKAERN C[C@H](Nc1ccccc1SC(F)F)c1c(F)cccc1F ZINC000019233248 182110096 /nfs/dbraw/zinc/11/00/96/182110096.db2.gz SSWJNUISTXYBGW-VIFPVBQESA-N 0 0 315.335 5.453 10 0 DKAERN Cc1cc(NCc2ccc(Cl)cc2)ccc1Br ZINC000019233251 182109942 /nfs/dbraw/zinc/10/99/42/182109942.db2.gz FNLHJTUFJXUBDG-UHFFFAOYSA-N 0 0 310.622 5.023 10 0 DKAERN Brc1cccc(CNc2cccc3ccccc32)c1 ZINC000019233347 182110807 /nfs/dbraw/zinc/11/08/07/182110807.db2.gz CZMFCVINWJBZSR-UHFFFAOYSA-N 0 0 312.210 5.214 10 0 DKAERN Cc1c(Cl)cccc1N[C@H](C)c1nc2ccccc2s1 ZINC000019233418 182111175 /nfs/dbraw/zinc/11/11/75/182111175.db2.gz ADYYVJIWAJXMDV-LLVKDONJSA-N 0 0 302.830 5.431 10 0 DKAERN Cc1c(Cl)cccc1N[C@@H](C)c1nc2ccccc2s1 ZINC000019233419 182111220 /nfs/dbraw/zinc/11/12/20/182111220.db2.gz ADYYVJIWAJXMDV-NSHDSACASA-N 0 0 302.830 5.431 10 0 DKAERN CCC[C@@H](C)C(=O)Nc1ccc2nc(-c3ccccc3C)oc2c1 ZINC000019815670 182153540 /nfs/dbraw/zinc/15/35/40/182153540.db2.gz LZRSJULVITXGSK-CQSZACIVSA-N 0 0 322.408 5.178 10 0 DKAERN CCC(=O)Nc1ccc2oc(-c3ccc(C(C)(C)C)cc3)nc2c1 ZINC000019815776 182153545 /nfs/dbraw/zinc/15/35/45/182153545.db2.gz WLVCXYMWKVJZSA-UHFFFAOYSA-N 0 0 322.408 5.141 10 0 DKAERN O=C(CSc1ccc2ccccc2c1)c1ccc(Cl)s1 ZINC000019849311 182157564 /nfs/dbraw/zinc/15/75/64/182157564.db2.gz MHYKVROQVCNMKS-UHFFFAOYSA-N 0 0 318.850 5.530 10 0 DKAERN C[C@@H](Nc1ccccc1)c1cc2cc(Br)ccc2o1 ZINC000019879541 182159561 /nfs/dbraw/zinc/15/95/61/182159561.db2.gz ISJLKWDLWKXNIP-LLVKDONJSA-N 0 0 316.198 5.368 10 0 DKAERN C[C@H](Nc1ccccc1)c1cc2cc(Br)ccc2o1 ZINC000019879543 182159512 /nfs/dbraw/zinc/15/95/12/182159512.db2.gz ISJLKWDLWKXNIP-NSHDSACASA-N 0 0 316.198 5.368 10 0 DKAERN CCc1cc2c(ncnc2Nc2cccc3ccccc32)s1 ZINC000019887487 182160741 /nfs/dbraw/zinc/16/07/41/182160741.db2.gz WVXPKBXTNJOGBD-UHFFFAOYSA-N 0 0 305.406 5.151 10 0 DKAERN CSc1cccc(N[C@@H](C)c2ccc(Br)cc2)c1 ZINC000019900552 182162065 /nfs/dbraw/zinc/16/20/65/182162065.db2.gz CEHHYALUEKJWMI-NSHDSACASA-N 0 0 322.271 5.344 10 0 DKAERN CSc1cccc(N[C@H](C)c2ccc(Br)cc2)c1 ZINC000019900553 182162073 /nfs/dbraw/zinc/16/20/73/182162073.db2.gz CEHHYALUEKJWMI-LLVKDONJSA-N 0 0 322.271 5.344 10 0 DKAERN CSc1cccc(N[C@@H](C)c2cccc(Br)c2)c1 ZINC000019900556 182161370 /nfs/dbraw/zinc/16/13/70/182161370.db2.gz WXGONVPRTREIMH-NSHDSACASA-N 0 0 322.271 5.344 10 0 DKAERN CSc1cccc(N[C@H](C)c2cccc(Br)c2)c1 ZINC000019900557 182161673 /nfs/dbraw/zinc/16/16/73/182161673.db2.gz WXGONVPRTREIMH-LLVKDONJSA-N 0 0 322.271 5.344 10 0 DKAERN CSc1cccc(N[C@@H](C)c2ccccc2Br)c1 ZINC000019900589 182161380 /nfs/dbraw/zinc/16/13/80/182161380.db2.gz OCNPKLLGSVPJQF-NSHDSACASA-N 0 0 322.271 5.344 10 0 DKAERN CSc1cccc(N[C@H](C)c2ccccc2Br)c1 ZINC000019900590 182161412 /nfs/dbraw/zinc/16/14/12/182161412.db2.gz OCNPKLLGSVPJQF-LLVKDONJSA-N 0 0 322.271 5.344 10 0 DKAERN CSc1cccc(N[C@@H](C)c2nc3ccccc3s2)c1 ZINC000019900646 182161826 /nfs/dbraw/zinc/16/18/26/182161826.db2.gz PFIARGDQVWDODC-NSHDSACASA-N 0 0 300.452 5.191 10 0 DKAERN CSc1cccc(N[C@H](C)c2nc3ccccc3s2)c1 ZINC000019900647 182161614 /nfs/dbraw/zinc/16/16/14/182161614.db2.gz PFIARGDQVWDODC-LLVKDONJSA-N 0 0 300.452 5.191 10 0 DKAERN CC[C@@H](Nc1ccc(C)cc1Br)c1ccc(O)cc1 ZINC000019901639 182162208 /nfs/dbraw/zinc/16/22/08/182162208.db2.gz RJVLGTWCNWXPMR-OAHLLOKOSA-N 0 0 320.230 5.026 10 0 DKAERN CC[C@H](Nc1ccc(C)cc1Br)c1ccc(O)cc1 ZINC000019901641 182162290 /nfs/dbraw/zinc/16/22/90/182162290.db2.gz RJVLGTWCNWXPMR-HNNXBMFYSA-N 0 0 320.230 5.026 10 0 DKAERN CC[C@@H](Nc1ccccc1OC)c1ccc(Br)cc1 ZINC000019901981 182162303 /nfs/dbraw/zinc/16/23/03/182162303.db2.gz NEZSXVQPNSACNU-CQSZACIVSA-N 0 0 320.230 5.021 10 0 DKAERN CC[C@H](Nc1ccccc1OC)c1ccc(Br)cc1 ZINC000019901983 182162204 /nfs/dbraw/zinc/16/22/04/182162204.db2.gz NEZSXVQPNSACNU-AWEZNQCLSA-N 0 0 320.230 5.021 10 0 DKAERN CCOc1ccc(N[C@@H](C)c2cccc(Br)c2)cc1 ZINC000019902241 182162438 /nfs/dbraw/zinc/16/24/38/182162438.db2.gz ZPIHSFIJJOLMDN-LBPRGKRZSA-N 0 0 320.230 5.021 10 0 DKAERN CCOc1ccc(N[C@H](C)c2cccc(Br)c2)cc1 ZINC000019902242 182162175 /nfs/dbraw/zinc/16/21/75/182162175.db2.gz ZPIHSFIJJOLMDN-GFCCVEGCSA-N 0 0 320.230 5.021 10 0 DKAERN CCOc1ccccc1N[C@@H](C)c1cccc(Br)c1 ZINC000019903892 182162436 /nfs/dbraw/zinc/16/24/36/182162436.db2.gz WVPHRZNKLRJUKA-LBPRGKRZSA-N 0 0 320.230 5.021 10 0 DKAERN CCOc1ccccc1N[C@H](C)c1cccc(Br)c1 ZINC000019903893 182162305 /nfs/dbraw/zinc/16/23/05/182162305.db2.gz WVPHRZNKLRJUKA-GFCCVEGCSA-N 0 0 320.230 5.021 10 0 DKAERN CC[C@@H](Nc1ccc(Br)cc1C)c1ccc(O)cc1 ZINC000019905620 182163023 /nfs/dbraw/zinc/16/30/23/182163023.db2.gz URASVEREWIBFQS-OAHLLOKOSA-N 0 0 320.230 5.026 10 0 DKAERN CC[C@H](Nc1ccc(Br)cc1C)c1ccc(O)cc1 ZINC000019905621 182163267 /nfs/dbraw/zinc/16/32/67/182163267.db2.gz URASVEREWIBFQS-HNNXBMFYSA-N 0 0 320.230 5.026 10 0 DKAERN CSc1ccc(N[C@@H](C)c2ccc(Br)cc2)cc1 ZINC000019906357 182163269 /nfs/dbraw/zinc/16/32/69/182163269.db2.gz XRDXQMSYCPZTLF-NSHDSACASA-N 0 0 322.271 5.344 10 0 DKAERN CSc1ccc(N[C@H](C)c2ccc(Br)cc2)cc1 ZINC000019906358 182162918 /nfs/dbraw/zinc/16/29/18/182162918.db2.gz XRDXQMSYCPZTLF-LLVKDONJSA-N 0 0 322.271 5.344 10 0 DKAERN CSc1ccc(N[C@@H](C)c2cccc(Br)c2)cc1 ZINC000019906361 182163019 /nfs/dbraw/zinc/16/30/19/182163019.db2.gz ZDLAOXVCETYJGK-NSHDSACASA-N 0 0 322.271 5.344 10 0 DKAERN CSc1ccc(N[C@H](C)c2cccc(Br)c2)cc1 ZINC000019906362 182163003 /nfs/dbraw/zinc/16/30/03/182163003.db2.gz ZDLAOXVCETYJGK-LLVKDONJSA-N 0 0 322.271 5.344 10 0 DKAERN CSc1ccc(N[C@H](C)c2ccccc2Br)cc1 ZINC000019906395 182163016 /nfs/dbraw/zinc/16/30/16/182163016.db2.gz UMHMUYOAXBVNDJ-LLVKDONJSA-N 0 0 322.271 5.344 10 0 DKAERN CSc1ccc(N[C@@H](C)c2nc3ccccc3s2)cc1 ZINC000019906448 182163022 /nfs/dbraw/zinc/16/30/22/182163022.db2.gz YRFWZPWHRUHHCD-NSHDSACASA-N 0 0 300.452 5.191 10 0 DKAERN CSc1ccc(N[C@H](C)c2nc3ccccc3s2)cc1 ZINC000019906449 182162936 /nfs/dbraw/zinc/16/29/36/182162936.db2.gz YRFWZPWHRUHHCD-LLVKDONJSA-N 0 0 300.452 5.191 10 0 DKAERN Cc1ccc([C@@H](C)Nc2ccc(Br)cc2F)s1 ZINC000019908060 182163209 /nfs/dbraw/zinc/16/32/09/182163209.db2.gz QOFVMFFJGAYLFN-SECBINFHSA-N 0 0 314.223 5.131 10 0 DKAERN Cc1ccc([C@H](C)Nc2ccc(Br)cc2F)s1 ZINC000019908061 182163013 /nfs/dbraw/zinc/16/30/13/182163013.db2.gz QOFVMFFJGAYLFN-VIFPVBQESA-N 0 0 314.223 5.131 10 0 DKAERN CC[C@@H](Nc1ccc(Br)c(C)c1)c1ccc(O)cc1 ZINC000019908127 182163073 /nfs/dbraw/zinc/16/30/73/182163073.db2.gz SNGXGMCOUUFJIF-MRXNPFEDSA-N 0 0 320.230 5.026 10 0 DKAERN CC[C@H](Nc1ccc(Br)c(C)c1)c1ccc(O)cc1 ZINC000019908128 182163237 /nfs/dbraw/zinc/16/32/37/182163237.db2.gz SNGXGMCOUUFJIF-INIZCTEOSA-N 0 0 320.230 5.026 10 0 DKAERN Brc1ccccc1N[C@@H]1CCSc2ccccc21 ZINC000019922769 182164592 /nfs/dbraw/zinc/16/45/92/182164592.db2.gz LSBRIVPEXMDPNP-CYBMUJFWSA-N 0 0 320.255 5.098 10 0 DKAERN Brc1ccccc1N[C@H]1CCSc2ccccc21 ZINC000019922772 182164445 /nfs/dbraw/zinc/16/44/45/182164445.db2.gz LSBRIVPEXMDPNP-ZDUSSCGKSA-N 0 0 320.255 5.098 10 0 DKAERN Brc1ccc(N[C@@H]2CCSc3ccccc32)cc1 ZINC000019923181 182165082 /nfs/dbraw/zinc/16/50/82/182165082.db2.gz NXSQTSRIRAUSBQ-CQSZACIVSA-N 0 0 320.255 5.098 10 0 DKAERN Brc1ccc(N[C@H]2CCSc3ccccc32)cc1 ZINC000019923183 182165047 /nfs/dbraw/zinc/16/50/47/182165047.db2.gz NXSQTSRIRAUSBQ-AWEZNQCLSA-N 0 0 320.255 5.098 10 0 DKAERN Brc1cccc(N[C@@H]2CCSc3ccccc32)c1 ZINC000019941823 182167875 /nfs/dbraw/zinc/16/78/75/182167875.db2.gz STWXBWDFRKZWBY-CQSZACIVSA-N 0 0 320.255 5.098 10 0 DKAERN Brc1cccc(N[C@H]2CCSc3ccccc32)c1 ZINC000019941825 182168135 /nfs/dbraw/zinc/16/81/35/182168135.db2.gz STWXBWDFRKZWBY-AWEZNQCLSA-N 0 0 320.255 5.098 10 0 DKAERN Cc1nc2sc(-c3ccccc3)cc2c(Nc2ccccc2)n1 ZINC000019948378 182169361 /nfs/dbraw/zinc/16/93/61/182169361.db2.gz JMGOKXSMNBTWTM-UHFFFAOYSA-N 0 0 317.417 5.410 10 0 DKAERN Cc1cc2c(ncnc2Nc2c(C)cc(C)cc2Cl)s1 ZINC000019948502 182169549 /nfs/dbraw/zinc/16/95/49/182169549.db2.gz MRABGWQXVIGJJB-UHFFFAOYSA-N 0 0 303.818 5.014 10 0 DKAERN Cc1cc2c(ncnc2Nc2ccc(Cl)c(Cl)c2)s1 ZINC000019948506 182169232 /nfs/dbraw/zinc/16/92/32/182169232.db2.gz CLWWDDUJBJOIQQ-UHFFFAOYSA-N 0 0 310.209 5.050 10 0 DKAERN Cc1cc2c(ncnc2Nc2cc(Cl)cc(Cl)c2)s1 ZINC000019948531 182169574 /nfs/dbraw/zinc/16/95/74/182169574.db2.gz MNHDSPTYCJZAHO-UHFFFAOYSA-N 0 0 310.209 5.050 10 0 DKAERN Cc1cc2c(ncnc2Nc2cc(Cl)ccc2Cl)s1 ZINC000019948626 182169479 /nfs/dbraw/zinc/16/94/79/182169479.db2.gz RYFDLNLYQBMCPL-UHFFFAOYSA-N 0 0 310.209 5.050 10 0 DKAERN Cc1cc2c(ncnc2Nc2ccc(Cl)cc2Cl)s1 ZINC000019948667 182169560 /nfs/dbraw/zinc/16/95/60/182169560.db2.gz YSYNBRAVXOSVEL-UHFFFAOYSA-N 0 0 310.209 5.050 10 0 DKAERN Cc1cc2c(ncnc2Nc2cccc(Cl)c2Cl)s1 ZINC000019948679 182169366 /nfs/dbraw/zinc/16/93/66/182169366.db2.gz XCGBCWKGXLEWCY-UHFFFAOYSA-N 0 0 310.209 5.050 10 0 DKAERN CCc1cc2c(ncnc2Nc2cccc(Cl)c2Cl)s1 ZINC000019950279 182169535 /nfs/dbraw/zinc/16/95/35/182169535.db2.gz HRWDKPVSYBIIGM-UHFFFAOYSA-N 0 0 324.236 5.304 10 0 DKAERN Cc1sc2ncnc(Nc3cccc(Cl)c3Cl)c2c1C ZINC000019950306 182169684 /nfs/dbraw/zinc/16/96/84/182169684.db2.gz KZGIKBSCMNYAEG-UHFFFAOYSA-N 0 0 324.236 5.359 10 0 DKAERN CCc1cc2c(ncnc2Nc2ccccc2C(F)(F)F)s1 ZINC000019950400 182169395 /nfs/dbraw/zinc/16/93/95/182169395.db2.gz HILNNXBENCPYDH-UHFFFAOYSA-N 0 0 323.343 5.016 10 0 DKAERN Cc1sc2ncnc(Nc3ccccc3C(F)(F)F)c2c1C ZINC000019950423 182169634 /nfs/dbraw/zinc/16/96/34/182169634.db2.gz IBVIVHBFTIYZJI-UHFFFAOYSA-N 0 0 323.343 5.071 10 0 DKAERN Cc1cc(C)c(Nc2ncnc3sc4c(c32)CCCC4)c(C)c1 ZINC000019950907 182169211 /nfs/dbraw/zinc/16/92/11/182169211.db2.gz YZLUGEJRWKBCRC-UHFFFAOYSA-N 0 0 323.465 5.239 10 0 DKAERN CCc1ccccc1Nc1ncnc2sc3c(c21)CC[C@H](C)C3 ZINC000019952476 182169664 /nfs/dbraw/zinc/16/96/64/182169664.db2.gz ZNHQYLGCPAIEMM-LBPRGKRZSA-N 0 0 323.465 5.122 10 0 DKAERN CCc1ccccc1Nc1ncnc2sc3c(c21)CC[C@@H](C)C3 ZINC000019952480 182169250 /nfs/dbraw/zinc/16/92/50/182169250.db2.gz ZNHQYLGCPAIEMM-GFCCVEGCSA-N 0 0 323.465 5.122 10 0 DKAERN Cc1sc2ncnc(Nc3ccc(Cl)cc3C)c2c1C ZINC000019952662 182169559 /nfs/dbraw/zinc/16/95/59/182169559.db2.gz FJAXSRFCSSOXJV-UHFFFAOYSA-N 0 0 303.818 5.014 10 0 DKAERN Cc1cccc(Nc2ncnc3sc4c(c32)CC[C@@H](C)C4)c1C ZINC000019953951 182169655 /nfs/dbraw/zinc/16/96/55/182169655.db2.gz LYROHVOEBXYULB-LLVKDONJSA-N 0 0 323.465 5.177 10 0 DKAERN Cc1cccc(Nc2ncnc3sc4c(c32)CC[C@H](C)C4)c1C ZINC000019953955 182169534 /nfs/dbraw/zinc/16/95/34/182169534.db2.gz LYROHVOEBXYULB-NSHDSACASA-N 0 0 323.465 5.177 10 0 DKAERN Cc1ccc(C)c(Nc2ncnc3sc4c(c32)CC[C@@H](C)C4)c1 ZINC000019954228 182170112 /nfs/dbraw/zinc/17/01/12/182170112.db2.gz OMSNVRPXOMFRTK-GFCCVEGCSA-N 0 0 323.465 5.177 10 0 DKAERN Cc1ccc(C)c(Nc2ncnc3sc4c(c32)CC[C@H](C)C4)c1 ZINC000019954233 182170289 /nfs/dbraw/zinc/17/02/89/182170289.db2.gz OMSNVRPXOMFRTK-LBPRGKRZSA-N 0 0 323.465 5.177 10 0 DKAERN CCCCc1ccc(Nc2ncnc3sc(CC)cc32)cc1 ZINC000019954369 182170249 /nfs/dbraw/zinc/17/02/49/182170249.db2.gz OFDMIQNWLJBGAD-UHFFFAOYSA-N 0 0 311.454 5.340 10 0 DKAERN CCCCc1ccc(Nc2ncnc3sc(C)c(C)c32)cc1 ZINC000019954377 182170351 /nfs/dbraw/zinc/17/03/51/182170351.db2.gz PQCPHTCKMJZQOR-UHFFFAOYSA-N 0 0 311.454 5.394 10 0 DKAERN Cc1sc2ncnc(Nc3cc(Cl)ccc3C)c2c1C ZINC000019954832 182170122 /nfs/dbraw/zinc/17/01/22/182170122.db2.gz LVUMPULKVAMOKG-UHFFFAOYSA-N 0 0 303.818 5.014 10 0 DKAERN CCc1cc2c(ncnc2Nc2cccc(C(F)(F)F)c2)s1 ZINC000019955362 182170190 /nfs/dbraw/zinc/17/01/90/182170190.db2.gz UFVNCVGKLMMSTC-UHFFFAOYSA-N 0 0 323.343 5.016 10 0 DKAERN Fc1cccc(Nc2ncnc3sc(-c4ccccc4)cc32)c1 ZINC000019956100 182170026 /nfs/dbraw/zinc/17/00/26/182170026.db2.gz XCFJZRHBQVERTI-UHFFFAOYSA-N 0 0 321.380 5.241 10 0 DKAERN Fc1cccc(Nc2ncnc3scc(-c4ccccc4)c32)c1 ZINC000019956117 182169945 /nfs/dbraw/zinc/16/99/45/182169945.db2.gz JTEUNCGLAUVASK-UHFFFAOYSA-N 0 0 321.380 5.241 10 0 DKAERN Cc1cccc(C)c1Nc1ncnc2sc3c(c21)CC[C@@H](C)C3 ZINC000019958135 182169895 /nfs/dbraw/zinc/16/98/95/182169895.db2.gz MKPDDGZRBHZVKK-LLVKDONJSA-N 0 0 323.465 5.177 10 0 DKAERN Cc1cccc(C)c1Nc1ncnc2sc3c(c21)CC[C@H](C)C3 ZINC000019958139 182169892 /nfs/dbraw/zinc/16/98/92/182169892.db2.gz MKPDDGZRBHZVKK-NSHDSACASA-N 0 0 323.465 5.177 10 0 DKAERN CC(C)c1ccc(Nc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000019958480 182170307 /nfs/dbraw/zinc/17/03/07/182170307.db2.gz JFPQFJGFMZAVJR-UHFFFAOYSA-N 0 0 323.465 5.437 10 0 DKAERN Cc1cccc(Nc2ncnc3sc(-c4ccccc4)cc32)c1 ZINC000019959461 182170208 /nfs/dbraw/zinc/17/02/08/182170208.db2.gz LCIGXHYPDHTDCA-UHFFFAOYSA-N 0 0 317.417 5.410 10 0 DKAERN CCc1cc2c(ncnc2Nc2ccc(C(C)(C)C)cc2)s1 ZINC000019959542 182170252 /nfs/dbraw/zinc/17/02/52/182170252.db2.gz NZHATTLTNSSKEM-UHFFFAOYSA-N 0 0 311.454 5.295 10 0 DKAERN Cc1ccccc1Nc1ncnc2sc(-c3ccccc3)cc21 ZINC000019959629 182170349 /nfs/dbraw/zinc/17/03/49/182170349.db2.gz RKCFLTGPLSAJKA-UHFFFAOYSA-N 0 0 317.417 5.410 10 0 DKAERN CCc1cccc(C)c1Nc1ncnc2sc3c(c21)CCCC3 ZINC000019960443 182170750 /nfs/dbraw/zinc/17/07/50/182170750.db2.gz MESHQPFLMPTCFD-UHFFFAOYSA-N 0 0 323.465 5.185 10 0 DKAERN Cc1ccc(Nc2ncnc3sc4c(c32)CC[C@@H](C)C4)c(C)c1 ZINC000019960455 182170870 /nfs/dbraw/zinc/17/08/70/182170870.db2.gz OTOGYRMSSCGXPI-GFCCVEGCSA-N 0 0 323.465 5.177 10 0 DKAERN Cc1ccc(Nc2ncnc3sc4c(c32)CC[C@H](C)C4)c(C)c1 ZINC000019960459 182171030 /nfs/dbraw/zinc/17/10/30/182171030.db2.gz OTOGYRMSSCGXPI-LBPRGKRZSA-N 0 0 323.465 5.177 10 0 DKAERN CC[C@@H](Nc1cccc(OC)c1)c1ccc(Br)cc1 ZINC000019964127 182171074 /nfs/dbraw/zinc/17/10/74/182171074.db2.gz BOOZRSXUJFSFCS-MRXNPFEDSA-N 0 0 320.230 5.021 10 0 DKAERN CC[C@H](Nc1cccc(OC)c1)c1ccc(Br)cc1 ZINC000019964128 182170788 /nfs/dbraw/zinc/17/07/88/182170788.db2.gz BOOZRSXUJFSFCS-INIZCTEOSA-N 0 0 320.230 5.021 10 0 DKAERN CC[C@@H](Nc1ccc(OC)cc1)c1ccc(Br)cc1 ZINC000019964822 182171058 /nfs/dbraw/zinc/17/10/58/182171058.db2.gz VBXIYFJKUVEGNA-MRXNPFEDSA-N 0 0 320.230 5.021 10 0 DKAERN CC[C@H](Nc1ccc(OC)cc1)c1ccc(Br)cc1 ZINC000019964823 182170996 /nfs/dbraw/zinc/17/09/96/182170996.db2.gz VBXIYFJKUVEGNA-INIZCTEOSA-N 0 0 320.230 5.021 10 0 DKAERN Cc1sc2ncnc(Nc3ccccc3)c2c1-c1ccccc1 ZINC000019975523 182172413 /nfs/dbraw/zinc/17/24/13/182172413.db2.gz GFILLHYMXPKBQR-UHFFFAOYSA-N 0 0 317.417 5.410 10 0 DKAERN Cc1ccc(-c2csc3ncnc(Nc4ccccc4)c23)cc1 ZINC000019975525 182172583 /nfs/dbraw/zinc/17/25/83/182172583.db2.gz LGDJPMXNUQFTDS-UHFFFAOYSA-N 0 0 317.417 5.410 10 0 DKAERN Brc1ccccc1CNc1cccc2ccccc21 ZINC000019978435 182172578 /nfs/dbraw/zinc/17/25/78/182172578.db2.gz JVNOGVRLSASOEQ-UHFFFAOYSA-N 0 0 312.210 5.214 10 0 DKAERN Fc1ccc(CNc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000019978630 182172886 /nfs/dbraw/zinc/17/28/86/182172886.db2.gz WCPANGXAIJZPHT-UHFFFAOYSA-N 0 0 303.686 5.110 10 0 DKAERN C[C@@H](Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000019979238 182173076 /nfs/dbraw/zinc/17/30/76/182173076.db2.gz NSDNKSNSACHCME-SNVBAGLBSA-N 0 0 315.722 5.412 10 0 DKAERN C[C@H](Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000019979242 182173048 /nfs/dbraw/zinc/17/30/48/182173048.db2.gz NSDNKSNSACHCME-JTQLQIEISA-N 0 0 315.722 5.412 10 0 DKAERN Cc1ccc([C@@H](C)Nc2cccc(Br)c2)c(C)c1 ZINC000019979343 182173039 /nfs/dbraw/zinc/17/30/39/182173039.db2.gz BLQYPBAJISGIFD-CYBMUJFWSA-N 0 0 304.231 5.239 10 0 DKAERN Cc1ccc([C@H](C)Nc2cccc(Br)c2)c(C)c1 ZINC000019979347 182173214 /nfs/dbraw/zinc/17/32/14/182173214.db2.gz BLQYPBAJISGIFD-ZDUSSCGKSA-N 0 0 304.231 5.239 10 0 DKAERN C[C@@H](Nc1cc(F)cc(F)c1)c1ccccc1C(F)(F)F ZINC000019979701 182173232 /nfs/dbraw/zinc/17/32/32/182173232.db2.gz IXILPKOOHRDVCJ-SECBINFHSA-N 0 0 301.258 5.157 10 0 DKAERN C[C@H](Nc1cc(F)cc(F)c1)c1ccccc1C(F)(F)F ZINC000019979705 182173021 /nfs/dbraw/zinc/17/30/21/182173021.db2.gz IXILPKOOHRDVCJ-VIFPVBQESA-N 0 0 301.258 5.157 10 0 DKAERN CC(C)(C)c1ccc(NCc2ccc(Br)cc2)cc1 ZINC000019979708 182173109 /nfs/dbraw/zinc/17/31/09/182173109.db2.gz CERSRHHBWYTDBD-UHFFFAOYSA-N 0 0 318.258 5.359 10 0 DKAERN Cc1ccc(N[C@H](C)c2ccccc2Br)cc1C ZINC000019979942 182172879 /nfs/dbraw/zinc/17/28/79/182172879.db2.gz UIPYCJSMRQOYHS-CYBMUJFWSA-N 0 0 304.231 5.239 10 0 DKAERN Cc1ccc(N[C@@H](C)c2ccccc2Br)cc1C ZINC000019979946 182173246 /nfs/dbraw/zinc/17/32/46/182173246.db2.gz UIPYCJSMRQOYHS-ZDUSSCGKSA-N 0 0 304.231 5.239 10 0 DKAERN Fc1ccc(-c2ccc(CNc3ccc(Cl)cc3)o2)cc1 ZINC000019979980 182173062 /nfs/dbraw/zinc/17/30/62/182173062.db2.gz UOKMGQXTYJIWTH-UHFFFAOYSA-N 0 0 301.748 5.351 10 0 DKAERN C[C@@H](Nc1cc(F)ccc1F)c1ccccc1C(F)(F)F ZINC000019980214 182172829 /nfs/dbraw/zinc/17/28/29/182172829.db2.gz FQXIXPVGERXTPC-SECBINFHSA-N 0 0 301.258 5.157 10 0 DKAERN C[C@H](Nc1cc(F)ccc1F)c1ccccc1C(F)(F)F ZINC000019980218 182173149 /nfs/dbraw/zinc/17/31/49/182173149.db2.gz FQXIXPVGERXTPC-VIFPVBQESA-N 0 0 301.258 5.157 10 0 DKAERN Cc1cc(F)ccc1NCc1ccc(SC(F)(F)F)cc1 ZINC000019980988 182173166 /nfs/dbraw/zinc/17/31/66/182173166.db2.gz JHJCNNRLSXPKBG-UHFFFAOYSA-N 0 0 315.335 5.358 10 0 DKAERN CC(C)c1ccc(NCc2ccc(F)cc2Br)cc1 ZINC000019981076 182172955 /nfs/dbraw/zinc/17/29/55/182172955.db2.gz RVIDUBLJZPEPNS-UHFFFAOYSA-N 0 0 322.221 5.324 10 0 DKAERN C[C@@H](Nc1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000019981380 182173033 /nfs/dbraw/zinc/17/30/33/182173033.db2.gz NWIGXYAWLIIILG-SNVBAGLBSA-N 0 0 310.622 5.276 10 0 DKAERN C[C@H](Nc1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000019981385 182173016 /nfs/dbraw/zinc/17/30/16/182173016.db2.gz NWIGXYAWLIIILG-JTQLQIEISA-N 0 0 310.622 5.276 10 0 DKAERN CC(C)c1ccc([C@@H](C)Nc2ccccc2Br)cc1 ZINC000019981706 182173243 /nfs/dbraw/zinc/17/32/43/182173243.db2.gz KINPXANBEAFZCM-CYBMUJFWSA-N 0 0 318.258 5.746 10 0 DKAERN CC(C)c1ccc([C@H](C)Nc2ccccc2Br)cc1 ZINC000019981710 182173187 /nfs/dbraw/zinc/17/31/87/182173187.db2.gz KINPXANBEAFZCM-ZDUSSCGKSA-N 0 0 318.258 5.746 10 0 DKAERN Cc1c(Cl)cccc1N[C@H](C)c1ccccc1OC(F)F ZINC000019981867 182173089 /nfs/dbraw/zinc/17/30/89/182173089.db2.gz UOEKHXJRDSZREG-LLVKDONJSA-N 0 0 311.759 5.423 10 0 DKAERN Cc1c(Cl)cccc1N[C@@H](C)c1ccccc1OC(F)F ZINC000019981872 182173000 /nfs/dbraw/zinc/17/30/00/182173000.db2.gz UOEKHXJRDSZREG-NSHDSACASA-N 0 0 311.759 5.423 10 0 DKAERN FC(F)(F)c1ccccc1CNc1cc(Cl)ccc1Cl ZINC000019982857 182173122 /nfs/dbraw/zinc/17/31/22/182173122.db2.gz GBJVUSWDQFOGOX-UHFFFAOYSA-N 0 0 320.141 5.624 10 0 DKAERN C[C@@H](Nc1ccc(Br)cc1)c1ccccc1Cl ZINC000019982933 182173060 /nfs/dbraw/zinc/17/30/60/182173060.db2.gz LSHKXVKNTUGTPH-SNVBAGLBSA-N 0 0 310.622 5.276 10 0 DKAERN C[C@H](Nc1ccc(Br)cc1)c1ccccc1Cl ZINC000019982938 182172874 /nfs/dbraw/zinc/17/28/74/182172874.db2.gz LSHKXVKNTUGTPH-JTQLQIEISA-N 0 0 310.622 5.276 10 0 DKAERN Cc1ccc(Cl)cc1N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000019983349 182173641 /nfs/dbraw/zinc/17/36/41/182173641.db2.gz XCPDMUBPCZPPNF-LLVKDONJSA-N 0 0 313.750 5.840 10 0 DKAERN Cc1ccc(Cl)cc1N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000019983353 182173907 /nfs/dbraw/zinc/17/39/07/182173907.db2.gz XCPDMUBPCZPPNF-NSHDSACASA-N 0 0 313.750 5.840 10 0 DKAERN CCc1ccc(CNc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000019984445 182173707 /nfs/dbraw/zinc/17/37/07/182173707.db2.gz DMPWKMBKJOMLDV-UHFFFAOYSA-N 0 0 314.643 5.821 10 0 DKAERN CC[C@@H](Nc1ccc(Br)c(C)c1)c1cccs1 ZINC000019984556 182173964 /nfs/dbraw/zinc/17/39/64/182173964.db2.gz YKESEVFRTWWUOM-CYBMUJFWSA-N 0 0 310.260 5.382 10 0 DKAERN Cc1cc(N[C@H](C)c2ccccc2F)ccc1Br ZINC000019984983 182173785 /nfs/dbraw/zinc/17/37/85/182173785.db2.gz KUYBOEZLDZEFGN-LLVKDONJSA-N 0 0 308.194 5.070 10 0 DKAERN Cc1cc(N[C@@H](C)c2ccccc2F)ccc1Br ZINC000019984987 182173784 /nfs/dbraw/zinc/17/37/84/182173784.db2.gz KUYBOEZLDZEFGN-NSHDSACASA-N 0 0 308.194 5.070 10 0 DKAERN Cc1ccc(Cl)cc1NCc1ccc(Cl)cc1Cl ZINC000019985108 182173673 /nfs/dbraw/zinc/17/36/73/182173673.db2.gz OCPZUPWHPAHDMQ-UHFFFAOYSA-N 0 0 300.616 5.567 10 0 DKAERN Cc1nc(-c2ccc(NCc3ccccc3Cl)cc2)cs1 ZINC000019985501 182173840 /nfs/dbraw/zinc/17/38/40/182173840.db2.gz MSMWUEORKMUEAO-UHFFFAOYSA-N 0 0 314.841 5.384 10 0 DKAERN CSc1ccc([C@@H](C)Nc2ccc(Cl)cc2Cl)cc1 ZINC000019985822 182173591 /nfs/dbraw/zinc/17/35/91/182173591.db2.gz KGCZPBBXZSYWKS-SNVBAGLBSA-N 0 0 312.265 5.888 10 0 DKAERN CSc1ccc([C@H](C)Nc2ccc(Cl)cc2Cl)cc1 ZINC000019985827 182173807 /nfs/dbraw/zinc/17/38/07/182173807.db2.gz KGCZPBBXZSYWKS-JTQLQIEISA-N 0 0 312.265 5.888 10 0 DKAERN Cc1nc(-c2ccc(NCc3ccc(Cl)s3)cc2)cs1 ZINC000019986182 182173522 /nfs/dbraw/zinc/17/35/22/182173522.db2.gz PYORHBXMKRANPZ-UHFFFAOYSA-N 0 0 320.870 5.446 10 0 DKAERN Cc1cc(Cl)ccc1N[C@H](C)c1nc2ccccc2s1 ZINC000019986213 182173799 /nfs/dbraw/zinc/17/37/99/182173799.db2.gz YGJVTMZUKVXEHX-LLVKDONJSA-N 0 0 302.830 5.431 10 0 DKAERN Cc1cc(Cl)ccc1N[C@@H](C)c1nc2ccccc2s1 ZINC000019986217 182173865 /nfs/dbraw/zinc/17/38/65/182173865.db2.gz YGJVTMZUKVXEHX-NSHDSACASA-N 0 0 302.830 5.431 10 0 DKAERN CC(C)(C)[C@@H]1CCCC[C@@H]1Nc1cccc(Br)c1 ZINC000019986230 182173706 /nfs/dbraw/zinc/17/37/06/182173706.db2.gz KPKLUXMYLPOVJM-CABCVRRESA-N 0 0 310.279 5.466 10 0 DKAERN CC(C)(C)[C@H]1CCCC[C@@H]1Nc1cccc(Br)c1 ZINC000019986234 182173884 /nfs/dbraw/zinc/17/38/84/182173884.db2.gz KPKLUXMYLPOVJM-GJZGRUSLSA-N 0 0 310.279 5.466 10 0 DKAERN CC(C)(C)[C@@H]1CCCC[C@H]1Nc1cccc(Br)c1 ZINC000019986239 182173683 /nfs/dbraw/zinc/17/36/83/182173683.db2.gz KPKLUXMYLPOVJM-HUUCEWRRSA-N 0 0 310.279 5.466 10 0 DKAERN CC(C)(C)[C@H]1CCCC[C@H]1Nc1cccc(Br)c1 ZINC000019986243 182173919 /nfs/dbraw/zinc/17/39/19/182173919.db2.gz KPKLUXMYLPOVJM-LSDHHAIUSA-N 0 0 310.279 5.466 10 0 DKAERN Fc1cccc(Cl)c1CNc1ccc(C(F)(F)F)cc1 ZINC000019986307 182173841 /nfs/dbraw/zinc/17/38/41/182173841.db2.gz SBSOJUFDBACEQB-UHFFFAOYSA-N 0 0 303.686 5.110 10 0 DKAERN CCCOc1ccc(CNc2cc(Cl)cc(Cl)c2)cc1 ZINC000019986315 182173598 /nfs/dbraw/zinc/17/35/98/182173598.db2.gz CTHBUDMBLMIRLE-UHFFFAOYSA-N 0 0 310.224 5.394 10 0 DKAERN CCOc1ccccc1N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000019986335 182173810 /nfs/dbraw/zinc/17/38/10/182173810.db2.gz MJWOMKMMDLDHEB-NSHDSACASA-N 0 0 310.224 5.565 10 0 DKAERN CCOc1ccccc1N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000019986339 182173573 /nfs/dbraw/zinc/17/35/73/182173573.db2.gz MJWOMKMMDLDHEB-LLVKDONJSA-N 0 0 310.224 5.565 10 0 DKAERN C[C@@H](Nc1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1 ZINC000019986488 182173671 /nfs/dbraw/zinc/17/36/71/182173671.db2.gz BFVNAMLTIUQXDL-SNVBAGLBSA-N 0 0 315.722 5.412 10 0 DKAERN C[C@H](Nc1ccc(OC(F)(F)F)cc1)c1cccc(Cl)c1 ZINC000019986493 182173824 /nfs/dbraw/zinc/17/38/24/182173824.db2.gz BFVNAMLTIUQXDL-JTQLQIEISA-N 0 0 315.722 5.412 10 0 DKAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Nc1ccccc1SC(F)F ZINC000019986533 182173696 /nfs/dbraw/zinc/17/36/96/182173696.db2.gz ZOJSNEVXMTUDFN-IPYPFGDCSA-N 0 0 313.457 5.874 10 0 DKAERN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1Nc1ccccc1SC(F)F ZINC000019986537 182173761 /nfs/dbraw/zinc/17/37/61/182173761.db2.gz ZOJSNEVXMTUDFN-YDHLFZDLSA-N 0 0 313.457 5.874 10 0 DKAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Nc1ccccc1SC(F)F ZINC000019986541 182173702 /nfs/dbraw/zinc/17/37/02/182173702.db2.gz ZOJSNEVXMTUDFN-NFAWXSAZSA-N 0 0 313.457 5.874 10 0 DKAERN CC(C)[C@H]1CC[C@H](C)C[C@@H]1Nc1ccccc1SC(F)F ZINC000019986545 182173652 /nfs/dbraw/zinc/17/36/52/182173652.db2.gz ZOJSNEVXMTUDFN-GUTXKFCHSA-N 0 0 313.457 5.874 10 0 DKAERN C[C@@H](Nc1cc(F)ccc1F)c1ccc(C(F)(F)F)cc1 ZINC000019986801 182173792 /nfs/dbraw/zinc/17/37/92/182173792.db2.gz CKHOFWSJJOSVRW-SECBINFHSA-N 0 0 301.258 5.157 10 0 DKAERN C[C@H](Nc1cc(F)ccc1F)c1ccc(C(F)(F)F)cc1 ZINC000019986805 182173789 /nfs/dbraw/zinc/17/37/89/182173789.db2.gz CKHOFWSJJOSVRW-VIFPVBQESA-N 0 0 301.258 5.157 10 0 DKAERN Cc1cc(Br)ccc1N[C@H](C)c1ccc(Cl)cc1 ZINC000019987703 182174346 /nfs/dbraw/zinc/17/43/46/182174346.db2.gz ZBIIYWKCWNLOKI-LLVKDONJSA-N 0 0 324.649 5.584 10 0 DKAERN Cc1cc(Br)ccc1N[C@@H](C)c1ccc(Cl)cc1 ZINC000019987707 182174687 /nfs/dbraw/zinc/17/46/87/182174687.db2.gz ZBIIYWKCWNLOKI-NSHDSACASA-N 0 0 324.649 5.584 10 0 DKAERN Cc1ccc([C@@H](C)Nc2ccc(Br)cc2C)s1 ZINC000019987994 182174664 /nfs/dbraw/zinc/17/46/64/182174664.db2.gz SPXBGCKUMOFUOX-LLVKDONJSA-N 0 0 310.260 5.301 10 0 DKAERN Cc1ccc([C@H](C)Nc2ccc(Br)cc2C)s1 ZINC000019987998 182174290 /nfs/dbraw/zinc/17/42/90/182174290.db2.gz SPXBGCKUMOFUOX-NSHDSACASA-N 0 0 310.260 5.301 10 0 DKAERN C[C@@H](NCc1ccc(Cl)cc1Cl)c1ccccc1Cl ZINC000019988433 182174481 /nfs/dbraw/zinc/17/44/81/182174481.db2.gz UZDODMKDGJYOQE-SNVBAGLBSA-N 0 0 314.643 5.498 10 0 DKAERN C[C@H](NCc1ccc(Cl)cc1Cl)c1ccccc1Cl ZINC000019988437 182174413 /nfs/dbraw/zinc/17/44/13/182174413.db2.gz UZDODMKDGJYOQE-JTQLQIEISA-N 0 0 314.643 5.498 10 0 DKAERN C[C@@H](Nc1cc(Cl)cc(Cl)c1)c1ccc(F)c(F)c1 ZINC000019988499 182174600 /nfs/dbraw/zinc/17/46/00/182174600.db2.gz KHPBZBYEGLSHAW-MRVPVSSYSA-N 0 0 302.151 5.445 10 0 DKAERN C[C@H](Nc1cc(Cl)cc(Cl)c1)c1ccc(F)c(F)c1 ZINC000019988503 182174260 /nfs/dbraw/zinc/17/42/60/182174260.db2.gz KHPBZBYEGLSHAW-QMMMGPOBSA-N 0 0 302.151 5.445 10 0 DKAERN Fc1cccc(CNc2ccc(Cl)cc2C(F)(F)F)c1 ZINC000019989149 182174666 /nfs/dbraw/zinc/17/46/66/182174666.db2.gz ZSKCYZRBPZFJPQ-UHFFFAOYSA-N 0 0 303.686 5.110 10 0 DKAERN C[C@@H](Nc1ccc(Cl)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000019989181 182174563 /nfs/dbraw/zinc/17/45/63/182174563.db2.gz YCBXIMZPZHZBMN-SNVBAGLBSA-N 0 0 315.722 5.412 10 0 DKAERN C[C@H](Nc1ccc(Cl)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000019989185 182174731 /nfs/dbraw/zinc/17/47/31/182174731.db2.gz YCBXIMZPZHZBMN-JTQLQIEISA-N 0 0 315.722 5.412 10 0 DKAERN CC[C@@H](Nc1ccc(OC)c(Cl)c1)c1ccc(Cl)cc1 ZINC000019989643 182174553 /nfs/dbraw/zinc/17/45/53/182174553.db2.gz GYCBWBFGYZMKER-OAHLLOKOSA-N 0 0 310.224 5.565 10 0 DKAERN CC[C@H](Nc1ccc(OC)c(Cl)c1)c1ccc(Cl)cc1 ZINC000019989647 182174300 /nfs/dbraw/zinc/17/43/00/182174300.db2.gz GYCBWBFGYZMKER-HNNXBMFYSA-N 0 0 310.224 5.565 10 0 DKAERN Cc1ccc(Cl)cc1NCc1cccc(Br)c1 ZINC000019989775 182174382 /nfs/dbraw/zinc/17/43/82/182174382.db2.gz OGFWZDTZRNBWAD-UHFFFAOYSA-N 0 0 310.622 5.023 10 0 DKAERN C[C@@H](NCc1cccc(Cl)c1Cl)c1ccccc1Cl ZINC000019989782 182174683 /nfs/dbraw/zinc/17/46/83/182174683.db2.gz RTHOXSAVSXCSDT-SNVBAGLBSA-N 0 0 314.643 5.498 10 0 DKAERN C[C@H](NCc1cccc(Cl)c1Cl)c1ccccc1Cl ZINC000019989787 182174648 /nfs/dbraw/zinc/17/46/48/182174648.db2.gz RTHOXSAVSXCSDT-JTQLQIEISA-N 0 0 314.643 5.498 10 0 DKAERN CC[C@@H](Nc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1 ZINC000019990414 182174532 /nfs/dbraw/zinc/17/45/32/182174532.db2.gz RDVZZGKCSVALKX-OAHLLOKOSA-N 0 0 313.750 5.922 10 0 DKAERN CC[C@H](Nc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1 ZINC000019990418 182174334 /nfs/dbraw/zinc/17/43/34/182174334.db2.gz RDVZZGKCSVALKX-HNNXBMFYSA-N 0 0 313.750 5.922 10 0 DKAERN FC(F)(F)c1ccccc1CNc1cc(Cl)cc(Cl)c1 ZINC000019991275 182174657 /nfs/dbraw/zinc/17/46/57/182174657.db2.gz VKLTVDIODFCHJK-UHFFFAOYSA-N 0 0 320.141 5.624 10 0 DKAERN COc1ccc(Cl)cc1NCc1cccc(Cl)c1Cl ZINC000019991614 182174924 /nfs/dbraw/zinc/17/49/24/182174924.db2.gz XYBCFTPXOPXMDK-UHFFFAOYSA-N 0 0 316.615 5.268 10 0 DKAERN CC(C)c1cccc(NCc2ccccc2Br)c1 ZINC000019991806 182174904 /nfs/dbraw/zinc/17/49/04/182174904.db2.gz DYNJULGXJKULBW-UHFFFAOYSA-N 0 0 304.231 5.185 10 0 DKAERN Cc1cc(Br)cc(C)c1NCc1ccc(Cl)cc1 ZINC000019991953 182174910 /nfs/dbraw/zinc/17/49/10/182174910.db2.gz FGELZUPPTMKSGV-UHFFFAOYSA-N 0 0 324.649 5.331 10 0 DKAERN CSc1ccc(CNc2ccc(Br)c(C)c2)cc1 ZINC000019992063 182174935 /nfs/dbraw/zinc/17/49/35/182174935.db2.gz FXRFSHIPCFWUGP-UHFFFAOYSA-N 0 0 322.271 5.092 10 0 DKAERN CC[C@@H](Nc1ccc(OC)c(Cl)c1)c1cccc(Cl)c1 ZINC000019994218 182175449 /nfs/dbraw/zinc/17/54/49/182175449.db2.gz NEHBAQUYGPSBJR-OAHLLOKOSA-N 0 0 310.224 5.565 10 0 DKAERN CC[C@H](Nc1ccc(OC)c(Cl)c1)c1cccc(Cl)c1 ZINC000019994221 182175111 /nfs/dbraw/zinc/17/51/11/182175111.db2.gz NEHBAQUYGPSBJR-HNNXBMFYSA-N 0 0 310.224 5.565 10 0 DKAERN FC(F)(F)Sc1ccc(CNc2cccc(Cl)c2)cc1 ZINC000019994322 182175380 /nfs/dbraw/zinc/17/53/80/182175380.db2.gz DSWZZWMTXOHPCT-UHFFFAOYSA-N 0 0 317.763 5.564 10 0 DKAERN C[C@@H](Nc1ccc(Cl)c(Cl)c1)c1cc2ccccc2o1 ZINC000019994450 182175502 /nfs/dbraw/zinc/17/55/02/182175502.db2.gz UYUBOKVRGCGPSK-SNVBAGLBSA-N 0 0 306.192 5.913 10 0 DKAERN C[C@H](Nc1ccc(Cl)c(Cl)c1)c1cc2ccccc2o1 ZINC000019994453 182175371 /nfs/dbraw/zinc/17/53/71/182175371.db2.gz UYUBOKVRGCGPSK-JTQLQIEISA-N 0 0 306.192 5.913 10 0 DKAERN CCc1ccccc1N[C@@H](C)c1cccc(Br)c1 ZINC000019994467 182175221 /nfs/dbraw/zinc/17/52/21/182175221.db2.gz IOILJDFHSLDHQJ-LBPRGKRZSA-N 0 0 304.231 5.185 10 0 DKAERN CCc1ccccc1N[C@H](C)c1cccc(Br)c1 ZINC000019994470 182175327 /nfs/dbraw/zinc/17/53/27/182175327.db2.gz IOILJDFHSLDHQJ-GFCCVEGCSA-N 0 0 304.231 5.185 10 0 DKAERN C[C@@H](Nc1ccc(C(C)(C)C)cc1)c1cc(Cl)ccc1Cl ZINC000019994539 182175588 /nfs/dbraw/zinc/17/55/88/182175588.db2.gz YRTXXBMLEVNMMY-GFCCVEGCSA-N 0 0 322.279 6.464 10 0 DKAERN C[C@H](Nc1ccc(C(C)(C)C)cc1)c1cc(Cl)ccc1Cl ZINC000019994542 182175173 /nfs/dbraw/zinc/17/51/73/182175173.db2.gz YRTXXBMLEVNMMY-LBPRGKRZSA-N 0 0 322.279 6.464 10 0 DKAERN CC[C@@H](Nc1ccc(C)cc1Br)c1ccccc1 ZINC000019994852 182175283 /nfs/dbraw/zinc/17/52/83/182175283.db2.gz ZFBMTCRNBZLHGG-OAHLLOKOSA-N 0 0 304.231 5.321 10 0 DKAERN CC[C@H](Nc1ccc(C)cc1Br)c1ccccc1 ZINC000019994855 182175340 /nfs/dbraw/zinc/17/53/40/182175340.db2.gz ZFBMTCRNBZLHGG-HNNXBMFYSA-N 0 0 304.231 5.321 10 0 DKAERN COc1ccccc1CNc1cc(Cl)c(Cl)cc1Cl ZINC000019995261 182175345 /nfs/dbraw/zinc/17/53/45/182175345.db2.gz TZEBFECHAZEBKQ-UHFFFAOYSA-N 0 0 316.615 5.268 10 0 DKAERN Cc1ccc(N[C@H](C)c2cccc(Br)c2)cc1F ZINC000019995517 182175161 /nfs/dbraw/zinc/17/51/61/182175161.db2.gz YRPUNDFELNAVHR-LLVKDONJSA-N 0 0 308.194 5.070 10 0 DKAERN Cc1ccc(N[C@@H](C)c2cccc(Br)c2)cc1F ZINC000019995521 182175164 /nfs/dbraw/zinc/17/51/64/182175164.db2.gz YRPUNDFELNAVHR-NSHDSACASA-N 0 0 308.194 5.070 10 0 DKAERN C[C@@H](Nc1cc(Cl)ccc1Cl)c1c(F)cccc1F ZINC000019995604 182175307 /nfs/dbraw/zinc/17/53/07/182175307.db2.gz ZVFILOULXGUAPZ-MRVPVSSYSA-N 0 0 302.151 5.445 10 0 DKAERN C[C@H](Nc1cc(Cl)ccc1Cl)c1c(F)cccc1F ZINC000019995608 182175587 /nfs/dbraw/zinc/17/55/87/182175587.db2.gz ZVFILOULXGUAPZ-QMMMGPOBSA-N 0 0 302.151 5.445 10 0 DKAERN CC[C@@H](Nc1ccccc1SC(F)F)c1ccc(C)cc1 ZINC000019995709 182175517 /nfs/dbraw/zinc/17/55/17/182175517.db2.gz CUBMRGMDQRSPGC-CQSZACIVSA-N 0 0 307.409 5.873 10 0 DKAERN CC[C@H](Nc1ccccc1SC(F)F)c1ccc(C)cc1 ZINC000019995713 182175542 /nfs/dbraw/zinc/17/55/42/182175542.db2.gz CUBMRGMDQRSPGC-AWEZNQCLSA-N 0 0 307.409 5.873 10 0 DKAERN CC(C)c1cccc(NCc2ccc(Br)s2)c1 ZINC000019995716 182175117 /nfs/dbraw/zinc/17/51/17/182175117.db2.gz PEAAOXNHEJIWKS-UHFFFAOYSA-N 0 0 310.260 5.246 10 0 DKAERN C[C@@H](Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(O)cc1 ZINC000019995745 182175237 /nfs/dbraw/zinc/17/52/37/182175237.db2.gz NBWMAFLAATWEGM-SECBINFHSA-N 0 0 315.722 5.238 10 0 DKAERN C[C@H](Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(O)cc1 ZINC000019995748 182175538 /nfs/dbraw/zinc/17/55/38/182175538.db2.gz NBWMAFLAATWEGM-VIFPVBQESA-N 0 0 315.722 5.238 10 0 DKAERN FC(F)Oc1ccc(CNc2cc(Cl)cc(Cl)c2)cc1 ZINC000019996140 182175151 /nfs/dbraw/zinc/17/51/51/182175151.db2.gz KLOCZHOFWKIJQK-UHFFFAOYSA-N 0 0 318.150 5.207 10 0 DKAERN C[C@@H]1C[C@@H](Nc2ccc(Br)cc2F)CC(C)(C)C1 ZINC000019996143 182175651 /nfs/dbraw/zinc/17/56/51/182175651.db2.gz SBHQBBTYSBOSOD-ZYHUDNBSSA-N 0 0 314.242 5.215 10 0 DKAERN C[C@H]1C[C@@H](Nc2ccc(Br)cc2F)CC(C)(C)C1 ZINC000019996147 182175316 /nfs/dbraw/zinc/17/53/16/182175316.db2.gz SBHQBBTYSBOSOD-CMPLNLGQSA-N 0 0 314.242 5.215 10 0 DKAERN C[C@@H]1C[C@H](Nc2ccc(Br)cc2F)CC(C)(C)C1 ZINC000019996150 182175539 /nfs/dbraw/zinc/17/55/39/182175539.db2.gz SBHQBBTYSBOSOD-PWSUYJOCSA-N 0 0 314.242 5.215 10 0 DKAERN C[C@H]1C[C@H](Nc2ccc(Br)cc2F)CC(C)(C)C1 ZINC000019996153 182175259 /nfs/dbraw/zinc/17/52/59/182175259.db2.gz SBHQBBTYSBOSOD-JQWIXIFHSA-N 0 0 314.242 5.215 10 0 DKAERN CCOc1ccccc1[C@@H](C)Nc1cc(Cl)cc(Cl)c1 ZINC000019996232 182175656 /nfs/dbraw/zinc/17/56/56/182175656.db2.gz URZUPLLGOXIOFQ-LLVKDONJSA-N 0 0 310.224 5.565 10 0 DKAERN CCOc1ccccc1[C@H](C)Nc1cc(Cl)cc(Cl)c1 ZINC000019996235 182175175 /nfs/dbraw/zinc/17/51/75/182175175.db2.gz URZUPLLGOXIOFQ-NSHDSACASA-N 0 0 310.224 5.565 10 0 DKAERN CC(C)(C)c1ccccc1Oc1ccc(Br)cc1N ZINC000019996322 182175272 /nfs/dbraw/zinc/17/52/72/182175272.db2.gz VNTUJXSYLPCBAX-UHFFFAOYSA-N 0 0 320.230 5.121 10 0 DKAERN C[C@@H](Nc1cc(F)cc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000019996343 182175359 /nfs/dbraw/zinc/17/53/59/182175359.db2.gz UAQAKZPWAIAVAL-MRVPVSSYSA-N 0 0 302.151 5.445 10 0 DKAERN C[C@H](Nc1cc(F)cc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000019996346 182175287 /nfs/dbraw/zinc/17/52/87/182175287.db2.gz UAQAKZPWAIAVAL-QMMMGPOBSA-N 0 0 302.151 5.445 10 0 DKAERN Cc1ccc([C@@H](C)Nc2ccc(Br)cc2F)c(C)c1 ZINC000019996582 182175374 /nfs/dbraw/zinc/17/53/74/182175374.db2.gz OAVFBEVKZUHVBK-GFCCVEGCSA-N 0 0 322.221 5.378 10 0 DKAERN Cc1ccc([C@H](C)Nc2ccc(Br)cc2F)c(C)c1 ZINC000019996585 182175585 /nfs/dbraw/zinc/17/55/85/182175585.db2.gz OAVFBEVKZUHVBK-LBPRGKRZSA-N 0 0 322.221 5.378 10 0 DKAERN Clc1cc(Cl)cc(NCc2cccc(Cl)c2Cl)c1 ZINC000019996594 182175296 /nfs/dbraw/zinc/17/52/96/182175296.db2.gz KPFBSAICRNDCEG-UHFFFAOYSA-N 0 0 321.034 5.912 10 0 DKAERN Cc1cc(C)c(CNc2ccc(Br)cc2F)c(C)c1 ZINC000019996741 182175603 /nfs/dbraw/zinc/17/56/03/182175603.db2.gz GPIXKQOANCHSKA-UHFFFAOYSA-N 0 0 322.221 5.126 10 0 DKAERN Fc1ccccc1CNc1cc(Cl)c(Cl)cc1Cl ZINC000019997231 182175431 /nfs/dbraw/zinc/17/54/31/182175431.db2.gz CYVXWLUJMMZHFZ-UHFFFAOYSA-N 0 0 304.579 5.398 10 0 DKAERN C[C@@H](Nc1cccc(C(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000019997296 182175516 /nfs/dbraw/zinc/17/55/16/182175516.db2.gz BXDIFIWAMGUHMH-SECBINFHSA-N 0 0 301.258 5.157 10 0 DKAERN C[C@H](Nc1cccc(C(F)(F)F)c1)c1ccc(F)c(F)c1 ZINC000019997299 182175511 /nfs/dbraw/zinc/17/55/11/182175511.db2.gz BXDIFIWAMGUHMH-VIFPVBQESA-N 0 0 301.258 5.157 10 0 DKAERN COc1ccccc1[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000019997739 182176000 /nfs/dbraw/zinc/17/60/00/182176000.db2.gz USQWTHGWSCEUKP-NWDGAFQWSA-N 0 0 324.251 5.414 10 0 DKAERN COc1ccccc1[C@H](C)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000019997742 182175981 /nfs/dbraw/zinc/17/59/81/182175981.db2.gz USQWTHGWSCEUKP-RYUDHWBXSA-N 0 0 324.251 5.414 10 0 DKAERN COc1ccccc1[C@@H](C)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000019997745 182176028 /nfs/dbraw/zinc/17/60/28/182176028.db2.gz USQWTHGWSCEUKP-VXGBXAGGSA-N 0 0 324.251 5.414 10 0 DKAERN COc1ccccc1[C@H](C)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000019997749 182175975 /nfs/dbraw/zinc/17/59/75/182175975.db2.gz USQWTHGWSCEUKP-NEPJUHHUSA-N 0 0 324.251 5.414 10 0 DKAERN Cc1cc(C)c([C@@H](C)Nc2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000019997844 182175979 /nfs/dbraw/zinc/17/59/79/182175979.db2.gz DVPSSBGUFDIAFE-CYBMUJFWSA-N 0 0 308.252 6.092 10 0 DKAERN Cc1cc(C)c([C@H](C)Nc2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000019997847 182175969 /nfs/dbraw/zinc/17/59/69/182175969.db2.gz DVPSSBGUFDIAFE-ZDUSSCGKSA-N 0 0 308.252 6.092 10 0 DKAERN CSc1ccc([C@@H](C)Nc2ccccc2C(F)(F)F)cc1 ZINC000019998192 182176033 /nfs/dbraw/zinc/17/60/33/182176033.db2.gz ZKBWEOKPXUFFSB-LLVKDONJSA-N 0 0 311.372 5.600 10 0 DKAERN CSc1ccc([C@H](C)Nc2ccccc2C(F)(F)F)cc1 ZINC000019998196 182176005 /nfs/dbraw/zinc/17/60/05/182176005.db2.gz ZKBWEOKPXUFFSB-NSHDSACASA-N 0 0 311.372 5.600 10 0 DKAERN Nc1cc(Cl)ccc1Oc1cc(Cl)c(Cl)cc1Cl ZINC000019998472 182176014 /nfs/dbraw/zinc/17/60/14/182176014.db2.gz IBXVIFGJJSILHQ-UHFFFAOYSA-N 0 0 323.006 5.675 10 0 DKAERN Brc1ccc(NCc2cccc3ccccc32)cc1 ZINC000019999691 190644890 /nfs/dbraw/zinc/64/48/90/190644890.db2.gz XTEVRDGHZXNIMB-UHFFFAOYSA-N 0 0 312.210 5.214 10 0 DKAERN C[C@@H](Nc1ccc(F)c(F)c1)c1ccc(Cl)cc1Cl ZINC000020003722 182176512 /nfs/dbraw/zinc/17/65/12/182176512.db2.gz IXURZKDOXIQPRN-MRVPVSSYSA-N 0 0 302.151 5.445 10 0 DKAERN C[C@H](Nc1ccc(F)c(F)c1)c1ccc(Cl)cc1Cl ZINC000020003724 182176514 /nfs/dbraw/zinc/17/65/14/182176514.db2.gz IXURZKDOXIQPRN-QMMMGPOBSA-N 0 0 302.151 5.445 10 0 DKAERN Cc1nc([C@H](C)Nc2ccc(Cl)cc2Cl)c(C)s1 ZINC000020005287 190645150 /nfs/dbraw/zinc/64/51/50/190645150.db2.gz KDAWQOFKJQSZOQ-ZETCQYMHSA-N 0 0 301.242 5.240 10 0 DKAERN Cc1ccc(N[C@H](C)c2ccccc2OC(F)F)cc1Cl ZINC000020005457 190645017 /nfs/dbraw/zinc/64/50/17/190645017.db2.gz IYUSKGDRKBXTGL-LLVKDONJSA-N 0 0 311.759 5.423 10 0 DKAERN C[C@@H](Nc1ncccc1Cl)c1ccc(Cl)cc1Cl ZINC000020006767 190644999 /nfs/dbraw/zinc/64/49/99/190644999.db2.gz DOWSTYTXDUOTFS-MRVPVSSYSA-N 0 0 301.604 5.215 10 0 DKAERN Clc1ccc(CNc2cccc3cccnc32)cc1Cl ZINC000020007281 182177124 /nfs/dbraw/zinc/17/71/24/182177124.db2.gz IXRIXMVWCDBCPH-UHFFFAOYSA-N 0 0 303.192 5.154 10 0 DKAERN CCCC1CCC(Nc2ccc(Br)cc2F)CC1 ZINC000020007318 182177042 /nfs/dbraw/zinc/17/70/42/182177042.db2.gz ODEZXFLVWHQJFX-UHFFFAOYSA-N 0 0 314.242 5.359 10 0 DKAERN CC(C)c1cccc(NCc2cccc(Br)c2)c1 ZINC000020007595 182177283 /nfs/dbraw/zinc/17/72/83/182177283.db2.gz ZFOJFCHZIUWBOP-UHFFFAOYSA-N 0 0 304.231 5.185 10 0 DKAERN CCC[C@@H](Nc1ccccc1Br)c1ccccc1 ZINC000020007729 182177016 /nfs/dbraw/zinc/17/70/16/182177016.db2.gz IWMXYQPKPDWZGN-OAHLLOKOSA-N 0 0 304.231 5.402 10 0 DKAERN CCC[C@H](Nc1ccccc1Br)c1ccccc1 ZINC000020007732 182177308 /nfs/dbraw/zinc/17/73/08/182177308.db2.gz IWMXYQPKPDWZGN-HNNXBMFYSA-N 0 0 304.231 5.402 10 0 DKAERN FC(F)(F)c1cc(Cl)ccc1NCc1ccc(Cl)cc1 ZINC000020007828 182176905 /nfs/dbraw/zinc/17/69/05/182176905.db2.gz PZWNBZZDTXMWHY-UHFFFAOYSA-N 0 0 320.141 5.624 10 0 DKAERN Clc1cccc(CNc2cccc3cccnc32)c1Cl ZINC000020007973 182177060 /nfs/dbraw/zinc/17/70/60/182177060.db2.gz JEBOQHHGVDPMMG-UHFFFAOYSA-N 0 0 303.192 5.154 10 0 DKAERN C[C@@H](Nc1ccccc1C(F)(F)F)c1ccc(F)c(F)c1 ZINC000020008120 182177172 /nfs/dbraw/zinc/17/71/72/182177172.db2.gz LDVNXHYVWPCWIV-SECBINFHSA-N 0 0 301.258 5.157 10 0 DKAERN C[C@H](Nc1ccccc1C(F)(F)F)c1ccc(F)c(F)c1 ZINC000020008123 182176963 /nfs/dbraw/zinc/17/69/63/182176963.db2.gz LDVNXHYVWPCWIV-VIFPVBQESA-N 0 0 301.258 5.157 10 0 DKAERN CC(C)C[C@@H](Nc1ccc(Br)cc1)c1ccccc1 ZINC000020008498 182176886 /nfs/dbraw/zinc/17/68/86/182176886.db2.gz MBQCCZYWLPFCDQ-QGZVFWFLSA-N 0 0 318.258 5.648 10 0 DKAERN CC(C)C[C@H](Nc1ccc(Br)cc1)c1ccccc1 ZINC000020008501 182177065 /nfs/dbraw/zinc/17/70/65/182177065.db2.gz MBQCCZYWLPFCDQ-KRWDZBQOSA-N 0 0 318.258 5.648 10 0 DKAERN C[C@@H](Nc1ccc(F)cc1F)c1cc(Cl)ccc1Cl ZINC000020009005 182177199 /nfs/dbraw/zinc/17/71/99/182177199.db2.gz VSZBQPQDWLFXFL-MRVPVSSYSA-N 0 0 302.151 5.445 10 0 DKAERN C[C@H](Nc1ccc(F)cc1F)c1cc(Cl)ccc1Cl ZINC000020009007 182176845 /nfs/dbraw/zinc/17/68/45/182176845.db2.gz VSZBQPQDWLFXFL-QMMMGPOBSA-N 0 0 302.151 5.445 10 0 DKAERN CC[C@@H](Nc1ccccc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000020009813 182177292 /nfs/dbraw/zinc/17/72/92/182177292.db2.gz XQVPIFVSPAGQAK-CQSZACIVSA-N 0 0 313.750 5.922 10 0 DKAERN CC[C@H](Nc1ccccc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000020009816 182177181 /nfs/dbraw/zinc/17/71/81/182177181.db2.gz XQVPIFVSPAGQAK-AWEZNQCLSA-N 0 0 313.750 5.922 10 0 DKAERN Cc1ccc([C@@H](C)Nc2cc(C(F)(F)F)ccc2Cl)o1 ZINC000020009979 182176664 /nfs/dbraw/zinc/17/66/64/182176664.db2.gz AIAINRMGWKRYGL-SECBINFHSA-N 0 0 303.711 5.433 10 0 DKAERN Cc1ccc([C@H](C)Nc2cc(C(F)(F)F)ccc2Cl)o1 ZINC000020009982 182176895 /nfs/dbraw/zinc/17/68/95/182176895.db2.gz AIAINRMGWKRYGL-VIFPVBQESA-N 0 0 303.711 5.433 10 0 DKAERN CCOc1ccccc1[C@@H](C)Nc1ccc(Cl)c(Cl)c1 ZINC000020010048 182176972 /nfs/dbraw/zinc/17/69/72/182176972.db2.gz UIZFZZYKJZKXIS-LLVKDONJSA-N 0 0 310.224 5.565 10 0 DKAERN CCOc1ccccc1[C@H](C)Nc1ccc(Cl)c(Cl)c1 ZINC000020010051 182176679 /nfs/dbraw/zinc/17/66/79/182176679.db2.gz UIZFZZYKJZKXIS-NSHDSACASA-N 0 0 310.224 5.565 10 0 DKAERN CSc1cccc(N[C@@H](C)c2ccccc2C(F)(F)F)c1 ZINC000020011041 182177598 /nfs/dbraw/zinc/17/75/98/182177598.db2.gz JJLORBBRPDBBFQ-NSHDSACASA-N 0 0 311.372 5.600 10 0 DKAERN CSc1cccc(N[C@H](C)c2ccccc2C(F)(F)F)c1 ZINC000020011044 182177849 /nfs/dbraw/zinc/17/78/49/182177849.db2.gz JJLORBBRPDBBFQ-LLVKDONJSA-N 0 0 311.372 5.600 10 0 DKAERN Fc1ccc(CNc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000020011050 182177758 /nfs/dbraw/zinc/17/77/58/182177758.db2.gz OBLUGOJDICVKHW-UHFFFAOYSA-N 0 0 304.579 5.398 10 0 DKAERN COc1ccc(C)cc1N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000020011259 182177657 /nfs/dbraw/zinc/17/76/57/182177657.db2.gz WMSUXTFDJXZRPU-NSHDSACASA-N 0 0 310.224 5.484 10 0 DKAERN COc1ccc(C)cc1N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000020011262 182178083 /nfs/dbraw/zinc/17/80/83/182178083.db2.gz WMSUXTFDJXZRPU-LLVKDONJSA-N 0 0 310.224 5.484 10 0 DKAERN Cc1nc([C@@H](C)Nc2ccc(Cl)c(Cl)c2)c(C)s1 ZINC000020011411 182177773 /nfs/dbraw/zinc/17/77/73/182177773.db2.gz WXSUBQBMLMWLRC-SSDOTTSWSA-N 0 0 301.242 5.240 10 0 DKAERN Cc1nc([C@H](C)Nc2ccc(Cl)c(Cl)c2)c(C)s1 ZINC000020011414 182177646 /nfs/dbraw/zinc/17/76/46/182177646.db2.gz WXSUBQBMLMWLRC-ZETCQYMHSA-N 0 0 301.242 5.240 10 0 DKAERN C[C@@H](Nc1cc(Cl)cc(Cl)c1)c1nc2ccccc2s1 ZINC000020011422 182178132 /nfs/dbraw/zinc/17/81/32/182178132.db2.gz PQPBRNDPFNVNOT-SECBINFHSA-N 0 0 323.248 5.776 10 0 DKAERN C[C@H](Nc1cc(Cl)cc(Cl)c1)c1nc2ccccc2s1 ZINC000020011425 182177962 /nfs/dbraw/zinc/17/79/62/182177962.db2.gz PQPBRNDPFNVNOT-VIFPVBQESA-N 0 0 323.248 5.776 10 0 DKAERN CCOc1ccccc1CNc1ccccc1SC(F)F ZINC000020011428 182177810 /nfs/dbraw/zinc/17/78/10/182177810.db2.gz MTSAHCAQDXKLOD-UHFFFAOYSA-N 0 0 309.381 5.012 10 0 DKAERN C[C@@H](Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(O)c1 ZINC000020011707 182177916 /nfs/dbraw/zinc/17/79/16/182177916.db2.gz NWCMDFSTCSQWED-SECBINFHSA-N 0 0 315.722 5.238 10 0 DKAERN C[C@H](Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(O)c1 ZINC000020011710 182177925 /nfs/dbraw/zinc/17/79/25/182177925.db2.gz NWCMDFSTCSQWED-VIFPVBQESA-N 0 0 315.722 5.238 10 0 DKAERN Cc1ccc(NCc2ccc(SC(F)(F)F)cc2)cc1F ZINC000020011893 182177984 /nfs/dbraw/zinc/17/79/84/182177984.db2.gz LYNWZWMBCLKERQ-UHFFFAOYSA-N 0 0 315.335 5.358 10 0 DKAERN CSc1ccc([C@@H](C)Nc2cccc(Br)c2)cc1 ZINC000020011899 182177640 /nfs/dbraw/zinc/17/76/40/182177640.db2.gz FDUBIEUQFVQUIV-LLVKDONJSA-N 0 0 322.271 5.344 10 0 DKAERN CSc1ccc([C@H](C)Nc2cccc(Br)c2)cc1 ZINC000020011902 182177790 /nfs/dbraw/zinc/17/77/90/182177790.db2.gz FDUBIEUQFVQUIV-NSHDSACASA-N 0 0 322.271 5.344 10 0 DKAERN Cc1cc(Cl)ccc1NCc1ccc(Cl)c(Cl)c1 ZINC000020012160 182177732 /nfs/dbraw/zinc/17/77/32/182177732.db2.gz KJKVURBKAFWXAX-UHFFFAOYSA-N 0 0 300.616 5.567 10 0 DKAERN FC(F)Sc1ccccc1NCc1ccc(Cl)s1 ZINC000020012210 182177754 /nfs/dbraw/zinc/17/77/54/182177754.db2.gz MGJBYGAWZRJZJB-UHFFFAOYSA-N 0 0 305.802 5.328 10 0 DKAERN CCc1ccc(N[C@@H](C)c2ccc(Br)cc2)cc1 ZINC000020012248 182177685 /nfs/dbraw/zinc/17/76/85/182177685.db2.gz WPDCXJCBVZZOPK-LBPRGKRZSA-N 0 0 304.231 5.185 10 0 DKAERN CCc1ccc(N[C@H](C)c2ccc(Br)cc2)cc1 ZINC000020012251 182177896 /nfs/dbraw/zinc/17/78/96/182177896.db2.gz WPDCXJCBVZZOPK-GFCCVEGCSA-N 0 0 304.231 5.185 10 0 DKAERN Cc1ccc([C@@H](C)Nc2ccc(Br)cc2)cc1C ZINC000020012494 182177980 /nfs/dbraw/zinc/17/79/80/182177980.db2.gz JPIDMRDHXKIFGB-CYBMUJFWSA-N 0 0 304.231 5.239 10 0 DKAERN Cc1ccc([C@H](C)Nc2ccc(Br)cc2)cc1C ZINC000020012497 182177696 /nfs/dbraw/zinc/17/76/96/182177696.db2.gz JPIDMRDHXKIFGB-ZDUSSCGKSA-N 0 0 304.231 5.239 10 0 DKAERN COc1ccc(NCc2c(Cl)cccc2Cl)cc1Cl ZINC000020012908 182177698 /nfs/dbraw/zinc/17/76/98/182177698.db2.gz WMPGMJVWOLGNEA-UHFFFAOYSA-N 0 0 316.615 5.268 10 0 DKAERN Clc1cc(Cl)c(NCCCc2ccccc2)cc1Cl ZINC000020012960 182177929 /nfs/dbraw/zinc/17/79/29/182177929.db2.gz GWZXQAFYYPDRPH-UHFFFAOYSA-N 0 0 314.643 5.692 10 0 DKAERN Cc1ccc(C)c(N[C@H](C)c2ccc(Br)cc2)c1 ZINC000020013027 182178148 /nfs/dbraw/zinc/17/81/48/182178148.db2.gz VNFOKJGZJALAMC-CYBMUJFWSA-N 0 0 304.231 5.239 10 0 DKAERN Cc1ccc(C)c(N[C@@H](C)c2ccc(Br)cc2)c1 ZINC000020013030 182177829 /nfs/dbraw/zinc/17/78/29/182177829.db2.gz VNFOKJGZJALAMC-ZDUSSCGKSA-N 0 0 304.231 5.239 10 0 DKAERN Fc1ccc(NCc2ccc(Cl)c(Cl)c2)c(F)c1F ZINC000020013175 182177858 /nfs/dbraw/zinc/17/78/58/182177858.db2.gz STHGSXPKNPSUGF-UHFFFAOYSA-N 0 0 306.114 5.023 10 0 DKAERN CC(C)(C)C1CCC(Nc2cccc(Br)c2)CC1 ZINC000020013263 182177713 /nfs/dbraw/zinc/17/77/13/182177713.db2.gz UZCLYBMCWNAJNM-UHFFFAOYSA-N 0 0 310.279 5.466 10 0 DKAERN C[C@@H](Nc1ccc2ccccc2n1)c1ccc(Cl)cc1Cl ZINC000020013455 182177939 /nfs/dbraw/zinc/17/79/39/182177939.db2.gz GTYIOTPEZXNMRV-LLVKDONJSA-N 0 0 317.219 5.715 10 0 DKAERN C[C@H](Nc1ccc2ccccc2n1)c1ccc(Cl)cc1Cl ZINC000020013458 182177619 /nfs/dbraw/zinc/17/76/19/182177619.db2.gz GTYIOTPEZXNMRV-NSHDSACASA-N 0 0 317.219 5.715 10 0 DKAERN Cc1ccc(N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000020013809 182178392 /nfs/dbraw/zinc/17/83/92/182178392.db2.gz RTHBVVSQWDJXNU-CQSZACIVSA-N 0 0 301.861 6.119 10 0 DKAERN Cc1ccc(N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000020013812 182178453 /nfs/dbraw/zinc/17/84/53/182178453.db2.gz RTHBVVSQWDJXNU-AWEZNQCLSA-N 0 0 301.861 6.119 10 0 DKAERN CC(C)C[C@@H](Nc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000020013847 182178482 /nfs/dbraw/zinc/17/84/82/182178482.db2.gz CCNUCBKJNPPSSQ-MRXNPFEDSA-N 0 0 308.252 6.193 10 0 DKAERN CC(C)C[C@H](Nc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000020013849 182178445 /nfs/dbraw/zinc/17/84/45/182178445.db2.gz CCNUCBKJNPPSSQ-INIZCTEOSA-N 0 0 308.252 6.193 10 0 DKAERN C[C@@H](Nc1ccc2c(c1)CCC2)c1ccc(Br)cc1 ZINC000020014087 182178290 /nfs/dbraw/zinc/17/82/90/182178290.db2.gz YGMOLFAZTRTSCK-GFCCVEGCSA-N 0 0 316.242 5.111 10 0 DKAERN C[C@H](Nc1ccc2c(c1)CCC2)c1ccc(Br)cc1 ZINC000020014090 182178340 /nfs/dbraw/zinc/17/83/40/182178340.db2.gz YGMOLFAZTRTSCK-LBPRGKRZSA-N 0 0 316.242 5.111 10 0 DKAERN COc1ccc(Cl)cc1NCc1ccc(Cl)c(Cl)c1 ZINC000020014128 182178471 /nfs/dbraw/zinc/17/84/71/182178471.db2.gz QJINISIVEIPQDN-UHFFFAOYSA-N 0 0 316.615 5.268 10 0 DKAERN C[C@@H](Nc1cccc2c1CCCC2)c1ccc(Cl)cc1Cl ZINC000020014210 182178545 /nfs/dbraw/zinc/17/85/45/182178545.db2.gz SLAFNZWEDFROOZ-GFCCVEGCSA-N 0 0 320.263 6.045 10 0 DKAERN C[C@H](Nc1cccc2c1CCCC2)c1ccc(Cl)cc1Cl ZINC000020014213 182178566 /nfs/dbraw/zinc/17/85/66/182178566.db2.gz SLAFNZWEDFROOZ-LBPRGKRZSA-N 0 0 320.263 6.045 10 0 DKAERN Cc1ccc([C@@H](C)Nc2ccc(Br)c(C)c2)cc1C ZINC000020014501 182178517 /nfs/dbraw/zinc/17/85/17/182178517.db2.gz JDWKAIMCZGMBIA-CQSZACIVSA-N 0 0 318.258 5.547 10 0 DKAERN Cc1ccc([C@H](C)Nc2ccc(Br)c(C)c2)cc1C ZINC000020014504 182178275 /nfs/dbraw/zinc/17/82/75/182178275.db2.gz JDWKAIMCZGMBIA-AWEZNQCLSA-N 0 0 318.258 5.547 10 0 DKAERN C[C@@H](Nc1cc(Cl)c(Cl)cc1Cl)c1ccncc1 ZINC000020014920 182178278 /nfs/dbraw/zinc/17/82/78/182178278.db2.gz WIAQSPKYYVSKLJ-MRVPVSSYSA-N 0 0 301.604 5.215 10 0 DKAERN C[C@H](Nc1cc(Cl)c(Cl)cc1Cl)c1ccncc1 ZINC000020014923 182178288 /nfs/dbraw/zinc/17/82/88/182178288.db2.gz WIAQSPKYYVSKLJ-QMMMGPOBSA-N 0 0 301.604 5.215 10 0 DKAERN Cc1cccc(CNc2cc(Cl)c(Cl)cc2Cl)c1 ZINC000020015776 182178542 /nfs/dbraw/zinc/17/85/42/182178542.db2.gz ACZABLLPWQPTFC-UHFFFAOYSA-N 0 0 300.616 5.567 10 0 DKAERN CCc1ccc(N[C@H](CC)c2ccc(Br)cc2)cc1 ZINC000020015968 182178322 /nfs/dbraw/zinc/17/83/22/182178322.db2.gz RICSQWUBHLXRDY-QGZVFWFLSA-N 0 0 318.258 5.575 10 0 DKAERN CCc1ccc(N[C@@H](CC)c2ccc(Br)cc2)cc1 ZINC000020015971 182178314 /nfs/dbraw/zinc/17/83/14/182178314.db2.gz RICSQWUBHLXRDY-KRWDZBQOSA-N 0 0 318.258 5.575 10 0 DKAERN C[C@@H](Nc1ccc(Cl)cc1Cl)c1cccc2ccccc21 ZINC000020016029 182178454 /nfs/dbraw/zinc/17/84/54/182178454.db2.gz OVAQLTJZOJLXEU-GFCCVEGCSA-N 0 0 316.231 6.320 10 0 DKAERN C[C@H](Nc1ccc(Cl)cc1Cl)c1cccc2ccccc21 ZINC000020016032 182178549 /nfs/dbraw/zinc/17/85/49/182178549.db2.gz OVAQLTJZOJLXEU-LBPRGKRZSA-N 0 0 316.231 6.320 10 0 DKAERN Clc1ccc(NCc2cccc(Cl)c2Cl)cc1Cl ZINC000020016198 182178308 /nfs/dbraw/zinc/17/83/08/182178308.db2.gz WRBDMEJCFMUGPB-UHFFFAOYSA-N 0 0 321.034 5.912 10 0 DKAERN CC[C@@H](Nc1cc(F)ccc1C)c1ccc(Br)cc1 ZINC000020016220 182178282 /nfs/dbraw/zinc/17/82/82/182178282.db2.gz ZZQZTVNYUWVSSC-OAHLLOKOSA-N 0 0 322.221 5.460 10 0 DKAERN CC[C@H](Nc1cc(F)ccc1C)c1ccc(Br)cc1 ZINC000020016223 182178315 /nfs/dbraw/zinc/17/83/15/182178315.db2.gz ZZQZTVNYUWVSSC-HNNXBMFYSA-N 0 0 322.221 5.460 10 0 DKAERN CC(C)(C)c1ccc(CNc2ccc(Cl)c(Cl)c2)cc1 ZINC000020016267 182178379 /nfs/dbraw/zinc/17/83/79/182178379.db2.gz UAUKXMDRNXNPSG-UHFFFAOYSA-N 0 0 308.252 5.903 10 0 DKAERN C[C@@H](Nc1cc(Cl)cc(Cl)c1)c1nc2ccccc2n1C ZINC000020017061 182179104 /nfs/dbraw/zinc/17/91/04/182179104.db2.gz PFCRZYOSYLFOAM-SNVBAGLBSA-N 0 0 320.223 5.053 10 0 DKAERN C[C@H](Nc1cc(Cl)cc(Cl)c1)c1nc2ccccc2n1C ZINC000020017064 182179086 /nfs/dbraw/zinc/17/90/86/182179086.db2.gz PFCRZYOSYLFOAM-JTQLQIEISA-N 0 0 320.223 5.053 10 0 DKAERN C[C@@H](Nc1ccccc1Br)c1cccc(Cl)c1 ZINC000020017697 182179159 /nfs/dbraw/zinc/17/91/59/182179159.db2.gz DVTNLGPZQMYHOZ-SNVBAGLBSA-N 0 0 310.622 5.276 10 0 DKAERN C[C@H](Nc1ccccc1Br)c1cccc(Cl)c1 ZINC000020017699 182179247 /nfs/dbraw/zinc/17/92/47/182179247.db2.gz DVTNLGPZQMYHOZ-JTQLQIEISA-N 0 0 310.622 5.276 10 0 DKAERN Cc1ccc(N[C@H](C)c2cccc(Cl)c2)c(Br)c1 ZINC000020017720 182179287 /nfs/dbraw/zinc/17/92/87/182179287.db2.gz MTZYEIBGNKECIV-LLVKDONJSA-N 0 0 324.649 5.584 10 0 DKAERN Cc1ccc(N[C@@H](C)c2cccc(Cl)c2)c(Br)c1 ZINC000020017723 182179091 /nfs/dbraw/zinc/17/90/91/182179091.db2.gz MTZYEIBGNKECIV-NSHDSACASA-N 0 0 324.649 5.584 10 0 DKAERN C[C@@H](Nc1cccc2cccnc21)c1cc(Cl)ccc1Cl ZINC000020017767 182178854 /nfs/dbraw/zinc/17/88/54/182178854.db2.gz JYMRWNNEDXBFGY-LLVKDONJSA-N 0 0 317.219 5.715 10 0 DKAERN C[C@H](Nc1cccc2cccnc21)c1cc(Cl)ccc1Cl ZINC000020017770 182179147 /nfs/dbraw/zinc/17/91/47/182179147.db2.gz JYMRWNNEDXBFGY-NSHDSACASA-N 0 0 317.219 5.715 10 0 DKAERN Cc1ccsc1CNc1cc(Cl)c(Cl)cc1Cl ZINC000020017834 182179102 /nfs/dbraw/zinc/17/91/02/182179102.db2.gz AMBZDKROBKOTLF-UHFFFAOYSA-N 0 0 306.645 5.629 10 0 DKAERN CSc1ccc([C@@H](C)Nc2cccc(Cl)c2Cl)cc1 ZINC000020017850 182179150 /nfs/dbraw/zinc/17/91/50/182179150.db2.gz CNQLAVUSTYZZPJ-SNVBAGLBSA-N 0 0 312.265 5.888 10 0 DKAERN CSc1ccc([C@H](C)Nc2cccc(Cl)c2Cl)cc1 ZINC000020017853 182178885 /nfs/dbraw/zinc/17/88/85/182178885.db2.gz CNQLAVUSTYZZPJ-JTQLQIEISA-N 0 0 312.265 5.888 10 0 DKAERN C[C@@H](Nc1cc(Cl)cc(Cl)c1)c1ccc2ccccc2c1 ZINC000020017942 182178769 /nfs/dbraw/zinc/17/87/69/182178769.db2.gz FAYXCNXXHVSLLU-GFCCVEGCSA-N 0 0 316.231 6.320 10 0 DKAERN C[C@H](Nc1cc(Cl)cc(Cl)c1)c1ccc2ccccc2c1 ZINC000020017945 182179198 /nfs/dbraw/zinc/17/91/98/182179198.db2.gz FAYXCNXXHVSLLU-LBPRGKRZSA-N 0 0 316.231 6.320 10 0 DKAERN CCOc1ccc([C@@H](C)Nc2ccc(Br)cc2)cc1 ZINC000020018287 182179165 /nfs/dbraw/zinc/17/91/65/182179165.db2.gz PBDJLFFCUXCVKL-GFCCVEGCSA-N 0 0 320.230 5.021 10 0 DKAERN CCOc1ccc([C@H](C)Nc2ccc(Br)cc2)cc1 ZINC000020018289 182178977 /nfs/dbraw/zinc/17/89/77/182178977.db2.gz PBDJLFFCUXCVKL-LBPRGKRZSA-N 0 0 320.230 5.021 10 0 DKAERN C[C@@H](Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000020018295 182178987 /nfs/dbraw/zinc/17/89/87/182178987.db2.gz MHZOYFKTGJHJPX-SECBINFHSA-N 0 0 300.616 5.820 10 0 DKAERN C[C@H](Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000020018298 182179235 /nfs/dbraw/zinc/17/92/35/182179235.db2.gz MHZOYFKTGJHJPX-VIFPVBQESA-N 0 0 300.616 5.820 10 0 DKAERN Clc1ccc(Cl)c(NC2CCC(c3ccccc3)CC2)c1 ZINC000020018312 182178841 /nfs/dbraw/zinc/17/88/41/182178841.db2.gz ZEHXQQCDMMDYCP-UHFFFAOYSA-N 0 0 320.263 6.132 10 0 DKAERN Cc1ccc(F)cc1N[C@H](C)c1ccccc1Br ZINC000020018381 182179127 /nfs/dbraw/zinc/17/91/27/182179127.db2.gz PKHZNLMBXVSLJB-LLVKDONJSA-N 0 0 308.194 5.070 10 0 DKAERN Cc1ccc(F)cc1N[C@@H](C)c1ccccc1Br ZINC000020018385 182179034 /nfs/dbraw/zinc/17/90/34/182179034.db2.gz PKHZNLMBXVSLJB-NSHDSACASA-N 0 0 308.194 5.070 10 0 DKAERN CCOc1ccccc1[C@@H](C)Nc1ccc(Br)cc1 ZINC000020018604 182178796 /nfs/dbraw/zinc/17/87/96/182178796.db2.gz VHQWQRWVEXKWFV-GFCCVEGCSA-N 0 0 320.230 5.021 10 0 DKAERN CCOc1ccccc1[C@H](C)Nc1ccc(Br)cc1 ZINC000020018606 182178951 /nfs/dbraw/zinc/17/89/51/182178951.db2.gz VHQWQRWVEXKWFV-LBPRGKRZSA-N 0 0 320.230 5.021 10 0 DKAERN CC(C)c1ccccc1N[C@@H](C)c1cccc(Br)c1 ZINC000020018667 182179234 /nfs/dbraw/zinc/17/92/34/182179234.db2.gz QNLZUJGWSCDBOW-ZDUSSCGKSA-N 0 0 318.258 5.746 10 0 DKAERN CC(C)c1ccccc1N[C@H](C)c1cccc(Br)c1 ZINC000020018671 182178708 /nfs/dbraw/zinc/17/87/08/182178708.db2.gz QNLZUJGWSCDBOW-CYBMUJFWSA-N 0 0 318.258 5.746 10 0 DKAERN Cc1cc(NCc2ccc(C(C)C)cc2)ccc1Br ZINC000020018698 182178869 /nfs/dbraw/zinc/17/88/69/182178869.db2.gz RBFGCIKKMOPRIG-UHFFFAOYSA-N 0 0 318.258 5.493 10 0 DKAERN CC(C)c1cccc(NCc2ccc(Br)cc2)c1 ZINC000020019015 182179013 /nfs/dbraw/zinc/17/90/13/182179013.db2.gz CLNKSMHPDNNBTM-UHFFFAOYSA-N 0 0 304.231 5.185 10 0 DKAERN C[C@@H](Nc1cccc2c1CCCC2)c1cc(Cl)ccc1Cl ZINC000020019396 182178997 /nfs/dbraw/zinc/17/89/97/182178997.db2.gz LLQKIZAZDXIHLG-GFCCVEGCSA-N 0 0 320.263 6.045 10 0 DKAERN C[C@H](Nc1cccc2c1CCCC2)c1cc(Cl)ccc1Cl ZINC000020019399 182179232 /nfs/dbraw/zinc/17/92/32/182179232.db2.gz LLQKIZAZDXIHLG-LBPRGKRZSA-N 0 0 320.263 6.045 10 0 DKAERN CC(C)c1ccc(N[C@@H](C)c2cccc(Br)c2)cc1 ZINC000020019654 182179061 /nfs/dbraw/zinc/17/90/61/182179061.db2.gz PHDAXPYETJZDLR-ZDUSSCGKSA-N 0 0 318.258 5.746 10 0 DKAERN CC(C)c1ccc(N[C@H](C)c2cccc(Br)c2)cc1 ZINC000020019657 182179056 /nfs/dbraw/zinc/17/90/56/182179056.db2.gz PHDAXPYETJZDLR-CYBMUJFWSA-N 0 0 318.258 5.746 10 0 DKAERN C[C@@H](Nc1cc(Cl)ccc1Cl)c1cc(F)ccc1F ZINC000020019667 182178975 /nfs/dbraw/zinc/17/89/75/182178975.db2.gz NKYQICHZOXNXHO-MRVPVSSYSA-N 0 0 302.151 5.445 10 0 DKAERN C[C@H](Nc1cc(Cl)ccc1Cl)c1cc(F)ccc1F ZINC000020019670 182179201 /nfs/dbraw/zinc/17/92/01/182179201.db2.gz NKYQICHZOXNXHO-QMMMGPOBSA-N 0 0 302.151 5.445 10 0 DKAERN Cc1cc(Br)ccc1N[C@H](C)c1ccc(F)cc1 ZINC000020019706 182178786 /nfs/dbraw/zinc/17/87/86/182178786.db2.gz OZORLYQPXIGEDZ-LLVKDONJSA-N 0 0 308.194 5.070 10 0 DKAERN Cc1cc(Br)ccc1N[C@@H](C)c1ccc(F)cc1 ZINC000020019709 182179284 /nfs/dbraw/zinc/17/92/84/182179284.db2.gz OZORLYQPXIGEDZ-NSHDSACASA-N 0 0 308.194 5.070 10 0 DKAERN Clc1cccc(NCc2cccc3ccccc32)c1Cl ZINC000020020067 182178896 /nfs/dbraw/zinc/17/88/96/182178896.db2.gz TUIPLBFKMFMPOG-UHFFFAOYSA-N 0 0 302.204 5.759 10 0 DKAERN Clc1ccc(Cl)c(N[C@@H]2CCSc3ccccc32)c1 ZINC000020020833 182179831 /nfs/dbraw/zinc/17/98/31/182179831.db2.gz SYHUEWWEDIQIDV-CYBMUJFWSA-N 0 0 310.249 5.642 10 0 DKAERN Clc1ccc(Cl)c(N[C@H]2CCSc3ccccc32)c1 ZINC000020020836 182179741 /nfs/dbraw/zinc/17/97/41/182179741.db2.gz SYHUEWWEDIQIDV-ZDUSSCGKSA-N 0 0 310.249 5.642 10 0 DKAERN FC(F)(F)c1ccc(NCc2c(Cl)cccc2Cl)cc1 ZINC000020020912 182179875 /nfs/dbraw/zinc/17/98/75/182179875.db2.gz YKTQTRNVCWQLPG-UHFFFAOYSA-N 0 0 320.141 5.624 10 0 DKAERN C[C@@H](NCc1ccccc1Cl)c1ccc(Cl)cc1Cl ZINC000020020993 182179538 /nfs/dbraw/zinc/17/95/38/182179538.db2.gz DVMFSMOFBCLMRS-SNVBAGLBSA-N 0 0 314.643 5.498 10 0 DKAERN C[C@H](NCc1ccccc1Cl)c1ccc(Cl)cc1Cl ZINC000020020995 182179704 /nfs/dbraw/zinc/17/97/04/182179704.db2.gz DVMFSMOFBCLMRS-JTQLQIEISA-N 0 0 314.643 5.498 10 0 DKAERN CCCC1CCC(Nc2ccc(Br)c(C)c2)CC1 ZINC000020021032 182179917 /nfs/dbraw/zinc/17/99/17/182179917.db2.gz XXJZGZUBSQEYBE-UHFFFAOYSA-N 0 0 310.279 5.528 10 0 DKAERN CCOc1ccc(N[C@@H](C)c2cc(Cl)ccc2Cl)cc1 ZINC000020021163 182179712 /nfs/dbraw/zinc/17/97/12/182179712.db2.gz YQLBEVOZXHEEDH-NSHDSACASA-N 0 0 310.224 5.565 10 0 DKAERN CCOc1ccc(N[C@H](C)c2cc(Cl)ccc2Cl)cc1 ZINC000020021166 182179594 /nfs/dbraw/zinc/17/95/94/182179594.db2.gz YQLBEVOZXHEEDH-LLVKDONJSA-N 0 0 310.224 5.565 10 0 DKAERN Cc1ccc(Cl)cc1N[C@H](C)c1nc2ccccc2s1 ZINC000020021345 182179549 /nfs/dbraw/zinc/17/95/49/182179549.db2.gz LVYPTPNZBPMJDE-LLVKDONJSA-N 0 0 302.830 5.431 10 0 DKAERN Cc1ccc(Cl)cc1N[C@@H](C)c1nc2ccccc2s1 ZINC000020021348 182179746 /nfs/dbraw/zinc/17/97/46/182179746.db2.gz LVYPTPNZBPMJDE-NSHDSACASA-N 0 0 302.830 5.431 10 0 DKAERN CCC[C@@H](Nc1cc(C)c(Cl)cc1OC)c1ccccc1 ZINC000020021535 182179734 /nfs/dbraw/zinc/17/97/34/182179734.db2.gz KBCGMFCTMYVICE-MRXNPFEDSA-N 0 0 303.833 5.610 10 0 DKAERN CCC[C@H](Nc1cc(C)c(Cl)cc1OC)c1ccccc1 ZINC000020021538 182179647 /nfs/dbraw/zinc/17/96/47/182179647.db2.gz KBCGMFCTMYVICE-INIZCTEOSA-N 0 0 303.833 5.610 10 0 DKAERN Brc1cccc(NCc2ccc3ccccc3c2)c1 ZINC000020021829 182179873 /nfs/dbraw/zinc/17/98/73/182179873.db2.gz OXNNMIVLOBLPOR-UHFFFAOYSA-N 0 0 312.210 5.214 10 0 DKAERN FC(F)(F)c1ccc(Cl)c(NCc2ccc(Cl)cc2)c1 ZINC000020021840 182179627 /nfs/dbraw/zinc/17/96/27/182179627.db2.gz XUXPOQGJKJTJHY-UHFFFAOYSA-N 0 0 320.141 5.624 10 0 DKAERN CC(C)(C)c1ccc(NCc2ccc(Cl)c(Cl)c2)cc1 ZINC000020022242 182179629 /nfs/dbraw/zinc/17/96/29/182179629.db2.gz PAAWQSGDIWMYFU-UHFFFAOYSA-N 0 0 308.252 5.903 10 0 DKAERN Cc1ccc(N[C@H](C)c2ccc(CC(C)C)cc2)cc1Cl ZINC000020022336 182179939 /nfs/dbraw/zinc/17/99/39/182179939.db2.gz PQSBHBMTWOLWGY-OAHLLOKOSA-N 0 0 301.861 6.020 10 0 DKAERN Cc1ccc(N[C@@H](C)c2ccc(CC(C)C)cc2)cc1Cl ZINC000020022340 182179618 /nfs/dbraw/zinc/17/96/18/182179618.db2.gz PQSBHBMTWOLWGY-HNNXBMFYSA-N 0 0 301.861 6.020 10 0 DKAERN Nc1ccc(Oc2cc(Cl)ccc2Cl)cc1C(F)(F)F ZINC000020022478 182179607 /nfs/dbraw/zinc/17/96/07/182179607.db2.gz XZQLWPSRMCKSTI-UHFFFAOYSA-N 0 0 322.113 5.387 10 0 DKAERN COc1ccc2c(c1)CCC[C@@H]2Nc1cc(Cl)cc(Cl)c1 ZINC000020022530 182179710 /nfs/dbraw/zinc/17/97/10/182179710.db2.gz XZGXVJQFGRGMFQ-KRWDZBQOSA-N 0 0 322.235 5.492 10 0 DKAERN COc1ccc2c(c1)CCC[C@H]2Nc1cc(Cl)cc(Cl)c1 ZINC000020022533 182179750 /nfs/dbraw/zinc/17/97/50/182179750.db2.gz XZGXVJQFGRGMFQ-QGZVFWFLSA-N 0 0 322.235 5.492 10 0 DKAERN C[C@@H](Nc1ccc(Cl)cc1)c1ccccc1Br ZINC000020022701 182179913 /nfs/dbraw/zinc/17/99/13/182179913.db2.gz DYJRJJNHLYVGDZ-SNVBAGLBSA-N 0 0 310.622 5.276 10 0 DKAERN C[C@H](Nc1ccc(Cl)cc1)c1ccccc1Br ZINC000020022704 182179877 /nfs/dbraw/zinc/17/98/77/182179877.db2.gz DYJRJJNHLYVGDZ-JTQLQIEISA-N 0 0 310.622 5.276 10 0 DKAERN Cc1c(Cl)cccc1NCc1ccc(Cl)c(Cl)c1 ZINC000020023140 182179968 /nfs/dbraw/zinc/17/99/68/182179968.db2.gz QZSRSDSTSHVORK-UHFFFAOYSA-N 0 0 300.616 5.567 10 0 DKAERN CC[C@@H](Nc1cc(C)c(Cl)cc1OC)c1cccc(Cl)c1 ZINC000020023196 182179742 /nfs/dbraw/zinc/17/97/42/182179742.db2.gz KOHIGSFTPKRHAC-OAHLLOKOSA-N 0 0 324.251 5.874 10 0 DKAERN CC[C@H](Nc1cc(C)c(Cl)cc1OC)c1cccc(Cl)c1 ZINC000020023199 182179465 /nfs/dbraw/zinc/17/94/65/182179465.db2.gz KOHIGSFTPKRHAC-HNNXBMFYSA-N 0 0 324.251 5.874 10 0 DKAERN Cc1ccc(N[C@H](C)c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000020023560 182179714 /nfs/dbraw/zinc/17/97/14/182179714.db2.gz ALVLLWQSMNYLJR-SNVBAGLBSA-N 0 0 314.643 6.128 10 0 DKAERN Cc1ccc(N[C@@H](C)c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000020023563 182179828 /nfs/dbraw/zinc/17/98/28/182179828.db2.gz ALVLLWQSMNYLJR-JTQLQIEISA-N 0 0 314.643 6.128 10 0 DKAERN C[C@@H](CCc1ccc(O)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000020023804 182179780 /nfs/dbraw/zinc/17/97/80/182179780.db2.gz JBGJEJYKJUWNCI-NSHDSACASA-N 0 0 310.224 5.132 10 0 DKAERN C[C@H](CCc1ccc(O)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000020023807 182179520 /nfs/dbraw/zinc/17/95/20/182179520.db2.gz JBGJEJYKJUWNCI-LLVKDONJSA-N 0 0 310.224 5.132 10 0 DKAERN COc1cc(Cl)c(C)cc1NCc1ccc(F)cc1Cl ZINC000020023866 182180214 /nfs/dbraw/zinc/18/02/14/182180214.db2.gz KIJZHZSCLMFQGE-UHFFFAOYSA-N 0 0 314.187 5.062 10 0 DKAERN Cc1ccc(N[C@H](C)c2ccccc2Cl)c(Br)c1 ZINC000020023983 182180070 /nfs/dbraw/zinc/18/00/70/182180070.db2.gz UWCHZKILMLENLR-LLVKDONJSA-N 0 0 324.649 5.584 10 0 DKAERN Cc1ccc(N[C@@H](C)c2ccccc2Cl)c(Br)c1 ZINC000020023987 182180463 /nfs/dbraw/zinc/18/04/63/182180463.db2.gz UWCHZKILMLENLR-NSHDSACASA-N 0 0 324.649 5.584 10 0 DKAERN CSc1ccc([C@@H](C)Nc2cc(Cl)ccc2Cl)cc1 ZINC000020024429 182180155 /nfs/dbraw/zinc/18/01/55/182180155.db2.gz PWPGPXUGOUTTBB-SNVBAGLBSA-N 0 0 312.265 5.888 10 0 DKAERN CSc1ccc([C@H](C)Nc2cc(Cl)ccc2Cl)cc1 ZINC000020024432 182180255 /nfs/dbraw/zinc/18/02/55/182180255.db2.gz PWPGPXUGOUTTBB-JTQLQIEISA-N 0 0 312.265 5.888 10 0 DKAERN CC(C)c1ccccc1N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000020024532 182180217 /nfs/dbraw/zinc/18/02/17/182180217.db2.gz ZVJDWVPADBFMCD-LBPRGKRZSA-N 0 0 308.252 6.290 10 0 DKAERN CC(C)c1ccccc1N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000020024535 182180456 /nfs/dbraw/zinc/18/04/56/182180456.db2.gz ZVJDWVPADBFMCD-GFCCVEGCSA-N 0 0 308.252 6.290 10 0 DKAERN Cc1cc(F)ccc1N[C@H](C)c1ccc(Br)cc1 ZINC000020024554 182180183 /nfs/dbraw/zinc/18/01/83/182180183.db2.gz GVMPIMLLAIHQDX-LLVKDONJSA-N 0 0 308.194 5.070 10 0 DKAERN Cc1cc(F)ccc1N[C@@H](C)c1ccc(Br)cc1 ZINC000020024556 182180367 /nfs/dbraw/zinc/18/03/67/182180367.db2.gz GVMPIMLLAIHQDX-NSHDSACASA-N 0 0 308.194 5.070 10 0 DKAERN C[C@@H](NCc1c(F)cccc1F)c1ccc(Cl)c(Cl)c1 ZINC000020024639 182180301 /nfs/dbraw/zinc/18/03/01/182180301.db2.gz UCFXZQMOFRYGJN-SECBINFHSA-N 0 0 316.178 5.122 10 0 DKAERN C[C@H](NCc1c(F)cccc1F)c1ccc(Cl)c(Cl)c1 ZINC000020024642 182180397 /nfs/dbraw/zinc/18/03/97/182180397.db2.gz UCFXZQMOFRYGJN-VIFPVBQESA-N 0 0 316.178 5.122 10 0 DKAERN CC[C@@H](Nc1ccc(Br)cc1F)c1cccs1 ZINC000020088273 182186134 /nfs/dbraw/zinc/18/61/34/182186134.db2.gz CXELKRIIHCXFIR-LLVKDONJSA-N 0 0 314.223 5.213 10 0 DKAERN CC[C@H](Nc1ccc(Br)cc1F)c1cccs1 ZINC000020088275 182186170 /nfs/dbraw/zinc/18/61/70/182186170.db2.gz CXELKRIIHCXFIR-NSHDSACASA-N 0 0 314.223 5.213 10 0 DKAERN CC(C)c1ccccc1Nc1ncnc2sc3c(c21)CCCC3 ZINC000020161820 182194025 /nfs/dbraw/zinc/19/40/25/182194025.db2.gz KJRZMILYWQATDA-UHFFFAOYSA-N 0 0 323.465 5.437 10 0 DKAERN CCc1cc2c(ncnc2Nc2c(Cl)cccc2Cl)s1 ZINC000020161925 182194191 /nfs/dbraw/zinc/19/41/91/182194191.db2.gz AUHQYMRAIUQDNP-UHFFFAOYSA-N 0 0 324.236 5.304 10 0 DKAERN Cc1sc2ncnc(Nc3c(Cl)cccc3Cl)c2c1C ZINC000020161934 182194147 /nfs/dbraw/zinc/19/41/47/182194147.db2.gz YUWCNCNRPGLXPI-UHFFFAOYSA-N 0 0 324.236 5.359 10 0 DKAERN CCc1cc2c(ncnc2Nc2c(C)cc(C)cc2Cl)s1 ZINC000020162094 182194210 /nfs/dbraw/zinc/19/42/10/182194210.db2.gz MLLBGYFNCGEDQY-UHFFFAOYSA-N 0 0 317.845 5.268 10 0 DKAERN CC(=O)CCc1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000020297843 182203809 /nfs/dbraw/zinc/20/38/09/182203809.db2.gz QPYWOEDFPVSCSK-UHFFFAOYSA-N 0 0 323.219 5.094 10 0 DKAERN Cc1cc(C=O)cc(C)c1OCc1ccc(Cl)cc1Cl ZINC000020297930 182203996 /nfs/dbraw/zinc/20/39/96/182203996.db2.gz TXXQIPGEILHJHB-UHFFFAOYSA-N 0 0 309.192 5.002 10 0 DKAERN Cc1cc(C=O)cc(C)c1OCc1ccc(Cl)c(Cl)c1 ZINC000020297932 182203748 /nfs/dbraw/zinc/20/37/48/182203748.db2.gz DQACXXXBFUASSX-UHFFFAOYSA-N 0 0 309.192 5.002 10 0 DKAERN Cc1cc(C=O)cc(C)c1OCc1c(Cl)cccc1Cl ZINC000020297935 182204024 /nfs/dbraw/zinc/20/40/24/182204024.db2.gz QRNGNFKYPAKJPG-UHFFFAOYSA-N 0 0 309.192 5.002 10 0 DKAERN Fc1ccc(Nc2ccnc3cc(Cl)ccc32)cc1Cl ZINC000020298819 182203988 /nfs/dbraw/zinc/20/39/88/182203988.db2.gz KZURZDSKHIDPFO-UHFFFAOYSA-N 0 0 307.155 5.424 10 0 DKAERN Cc1c2ccccc2oc1C(=O)c1ccc(Cl)cc1Cl ZINC000020298882 182203841 /nfs/dbraw/zinc/20/38/41/182203841.db2.gz KLQHIHAZEUDDOI-UHFFFAOYSA-N 0 0 305.160 5.279 10 0 DKAERN Cc1c2ccccc2oc1C(=O)c1cc(Cl)ccc1Cl ZINC000020298887 182203983 /nfs/dbraw/zinc/20/39/83/182203983.db2.gz JBOVYSBLERWLMG-UHFFFAOYSA-N 0 0 305.160 5.279 10 0 DKAERN Cc1ccc(N[C@H](C)c2nc3ccccc3s2)c(Cl)c1 ZINC000020301026 182203933 /nfs/dbraw/zinc/20/39/33/182203933.db2.gz FKBUUVCVZWPKJG-LLVKDONJSA-N 0 0 302.830 5.431 10 0 DKAERN C[C@@H](Nc1cccc(Cl)c1F)c1nc2ccccc2s1 ZINC000020301620 182204644 /nfs/dbraw/zinc/20/46/44/182204644.db2.gz XUJDQLCYNHEUNC-SECBINFHSA-N 0 0 306.793 5.262 10 0 DKAERN C[C@H](Nc1cccc(Cl)c1F)c1nc2ccccc2s1 ZINC000020301622 182204336 /nfs/dbraw/zinc/20/43/36/182204336.db2.gz XUJDQLCYNHEUNC-VIFPVBQESA-N 0 0 306.793 5.262 10 0 DKAERN CCC(=O)c1ccccc1OCc1c(Cl)cccc1Cl ZINC000020302618 182204363 /nfs/dbraw/zinc/20/43/63/182204363.db2.gz QOVCAOKQSVFWQO-UHFFFAOYSA-N 0 0 309.192 5.165 10 0 DKAERN CC(C)c1ccc(COc2ccc(Br)cc2)cc1 ZINC000020302714 182204381 /nfs/dbraw/zinc/20/43/81/182204381.db2.gz SQCYSQUQSGFRMK-UHFFFAOYSA-N 0 0 305.215 5.152 10 0 DKAERN CC(C)c1ccc(COc2cccc(Br)c2)cc1 ZINC000020302716 182204333 /nfs/dbraw/zinc/20/43/33/182204333.db2.gz HGUKGFFZLOUZPM-UHFFFAOYSA-N 0 0 305.215 5.152 10 0 DKAERN CC(C)c1ccc(COc2ccc(F)cc2Br)cc1 ZINC000020302731 182204467 /nfs/dbraw/zinc/20/44/67/182204467.db2.gz QXTZNXVKHITIQO-UHFFFAOYSA-N 0 0 323.205 5.291 10 0 DKAERN CC(C)c1ccc(COc2ccccc2Br)cc1 ZINC000020302739 182204402 /nfs/dbraw/zinc/20/44/02/182204402.db2.gz BNRVDJQRJSETSW-UHFFFAOYSA-N 0 0 305.215 5.152 10 0 DKAERN Cc1cc(Nc2nc3ccccc3s2)ccc1Br ZINC000020303625 182204531 /nfs/dbraw/zinc/20/45/31/182204531.db2.gz LVGKRPJUYASDHG-UHFFFAOYSA-N 0 0 319.227 5.111 10 0 DKAERN Cc1ccc(Nc2nc3ccccc3s2)c(Br)c1 ZINC000020303634 182204655 /nfs/dbraw/zinc/20/46/55/182204655.db2.gz YHGYBOPDDZZERK-UHFFFAOYSA-N 0 0 319.227 5.111 10 0 DKAERN Cc1ccc(OCc2ccc(C(C)C)cc2)c(Br)c1 ZINC000020304844 182204587 /nfs/dbraw/zinc/20/45/87/182204587.db2.gz ILWVUKLBPVVJSO-UHFFFAOYSA-N 0 0 319.242 5.460 10 0 DKAERN COc1cc(Cl)c(C)cc1Nc1nc2ccccc2s1 ZINC000020305710 182205232 /nfs/dbraw/zinc/20/52/32/182205232.db2.gz YKVLSLIIMOKQQM-UHFFFAOYSA-N 0 0 304.802 5.010 10 0 DKAERN Cc1cc(Br)ccc1Nc1nc2ccccc2s1 ZINC000020305733 182205252 /nfs/dbraw/zinc/20/52/52/182205252.db2.gz UHMZQKGPVYLTPZ-UHFFFAOYSA-N 0 0 319.227 5.111 10 0 DKAERN C[C@@H](Nc1ccc(F)c(Cl)c1)c1nc2ccccc2s1 ZINC000020308241 182205135 /nfs/dbraw/zinc/20/51/35/182205135.db2.gz UQRWGJUBMWMKCE-SECBINFHSA-N 0 0 306.793 5.262 10 0 DKAERN C[C@H](Nc1ccc(F)c(Cl)c1)c1nc2ccccc2s1 ZINC000020308243 182205202 /nfs/dbraw/zinc/20/52/02/182205202.db2.gz UQRWGJUBMWMKCE-VIFPVBQESA-N 0 0 306.793 5.262 10 0 DKAERN C[C@@H](Nc1ccc(F)cc1Cl)c1nc2ccccc2s1 ZINC000020308630 182205218 /nfs/dbraw/zinc/20/52/18/182205218.db2.gz ZEGRVFCFAKWDLB-SECBINFHSA-N 0 0 306.793 5.262 10 0 DKAERN C[C@H](Nc1ccc(F)cc1Cl)c1nc2ccccc2s1 ZINC000020308633 182205012 /nfs/dbraw/zinc/20/50/12/182205012.db2.gz ZEGRVFCFAKWDLB-VIFPVBQESA-N 0 0 306.793 5.262 10 0 DKAERN Oc1ccc(-c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000020311506 182205654 /nfs/dbraw/zinc/20/56/54/182205654.db2.gz UMSMFKJVJBTVLY-UHFFFAOYSA-N 0 0 322.216 5.490 10 0 DKAERN Oc1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 ZINC000020311511 182205804 /nfs/dbraw/zinc/20/58/04/182205804.db2.gz NTQLLKKPGHZBKB-UHFFFAOYSA-N 0 0 322.216 5.490 10 0 DKAERN Cc1sc(-c2ccc(O)cc2)nc1-c1cccc(Cl)c1 ZINC000020311528 182205814 /nfs/dbraw/zinc/20/58/14/182205814.db2.gz RINXIKSWHOGFOX-UHFFFAOYSA-N 0 0 301.798 5.145 10 0 DKAERN Cc1sc(-c2ccc(O)cc2)nc1-c1ccc(Cl)cc1 ZINC000020311530 182205679 /nfs/dbraw/zinc/20/56/79/182205679.db2.gz FYTJZPFOKNWUOW-UHFFFAOYSA-N 0 0 301.798 5.145 10 0 DKAERN Oc1ccc(-c2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 ZINC000020311540 182205742 /nfs/dbraw/zinc/20/57/42/182205742.db2.gz AGJTZIBVQNIZLD-UHFFFAOYSA-N 0 0 322.216 5.490 10 0 DKAERN Nc1cc(C(F)(F)F)ccc1Oc1cccc(C(F)(F)F)c1 ZINC000020352048 182210374 /nfs/dbraw/zinc/21/03/74/182210374.db2.gz PIIDVMASWJDPDQ-UHFFFAOYSA-N 0 0 321.220 5.099 10 0 DKAERN Fc1ccc(NCc2c(Cl)cccc2Cl)c(Cl)c1 ZINC000020361101 182211983 /nfs/dbraw/zinc/21/19/83/182211983.db2.gz ITKRLTVTXNBPNK-UHFFFAOYSA-N 0 0 304.579 5.398 10 0 DKAERN Cc1ccc(N[C@H](C)c2ccccc2Br)c(F)c1 ZINC000020371935 182212404 /nfs/dbraw/zinc/21/24/04/182212404.db2.gz WUOLNTYNHHVXIQ-LLVKDONJSA-N 0 0 308.194 5.070 10 0 DKAERN Cc1ccc(N[C@@H](C)c2ccccc2Br)c(F)c1 ZINC000020371939 182212448 /nfs/dbraw/zinc/21/24/48/182212448.db2.gz WUOLNTYNHHVXIQ-NSHDSACASA-N 0 0 308.194 5.070 10 0 DKAERN Cc1ccc(N[C@H](C)c2cccc(Br)c2)c(F)c1 ZINC000020372083 182212402 /nfs/dbraw/zinc/21/24/02/182212402.db2.gz RCYZMLQJZOMAKP-LLVKDONJSA-N 0 0 308.194 5.070 10 0 DKAERN Cc1ccc(N[C@@H](C)c2cccc(Br)c2)c(F)c1 ZINC000020372086 182212398 /nfs/dbraw/zinc/21/23/98/182212398.db2.gz RCYZMLQJZOMAKP-NSHDSACASA-N 0 0 308.194 5.070 10 0 DKAERN C[C@@H](Nc1ccc(Cl)cc1N)c1ccc(Cl)cc1Cl ZINC000020381445 182213128 /nfs/dbraw/zinc/21/31/28/182213128.db2.gz CUUGDBYOFPBLDW-MRVPVSSYSA-N 0 0 315.631 5.402 10 0 DKAERN C[C@H](Nc1ccc(Cl)cc1N)c1ccc(Cl)cc1Cl ZINC000020381449 182212830 /nfs/dbraw/zinc/21/28/30/182212830.db2.gz CUUGDBYOFPBLDW-QMMMGPOBSA-N 0 0 315.631 5.402 10 0 DKAERN C[C@@H](Nc1ccc(F)c(Cl)c1)c1cc(Cl)ccc1Cl ZINC000020429851 182216624 /nfs/dbraw/zinc/21/66/24/182216624.db2.gz YPXABWSMJCUFNK-MRVPVSSYSA-N 0 0 318.606 5.959 10 0 DKAERN C[C@H](Nc1ccc(F)c(Cl)c1)c1cc(Cl)ccc1Cl ZINC000020429852 182216303 /nfs/dbraw/zinc/21/63/03/182216303.db2.gz YPXABWSMJCUFNK-QMMMGPOBSA-N 0 0 318.606 5.959 10 0 DKAERN CCC[C@@H](Nc1ccc(F)cc1Br)c1ccccc1 ZINC000020430328 182216630 /nfs/dbraw/zinc/21/66/30/182216630.db2.gz UEWDKPGBVCNTAE-OAHLLOKOSA-N 0 0 322.221 5.542 10 0 DKAERN CCC[C@H](Nc1ccc(F)cc1Br)c1ccccc1 ZINC000020430329 182216374 /nfs/dbraw/zinc/21/63/74/182216374.db2.gz UEWDKPGBVCNTAE-HNNXBMFYSA-N 0 0 322.221 5.542 10 0 DKAERN CC[C@@H](C)C[C@@H](CC)Nc1ccc(F)cc1Br ZINC000020430348 182216581 /nfs/dbraw/zinc/21/65/81/182216581.db2.gz DPUJPYIBIWEJMK-ZYHUDNBSSA-N 0 0 302.231 5.215 10 0 DKAERN CC[C@H](C[C@@H](C)CC)Nc1ccc(F)cc1Br ZINC000020430349 182216280 /nfs/dbraw/zinc/21/62/80/182216280.db2.gz DPUJPYIBIWEJMK-CMPLNLGQSA-N 0 0 302.231 5.215 10 0 DKAERN CC[C@@H](C)C[C@H](CC)Nc1ccc(F)cc1Br ZINC000020430350 182216647 /nfs/dbraw/zinc/21/66/47/182216647.db2.gz DPUJPYIBIWEJMK-PWSUYJOCSA-N 0 0 302.231 5.215 10 0 DKAERN CC[C@H](C)C[C@H](CC)Nc1ccc(F)cc1Br ZINC000020430351 182216578 /nfs/dbraw/zinc/21/65/78/182216578.db2.gz DPUJPYIBIWEJMK-JQWIXIFHSA-N 0 0 302.231 5.215 10 0 DKAERN C[C@@H]1C[C@@H](Nc2ccc(F)cc2Br)CC(C)(C)C1 ZINC000020430366 182216573 /nfs/dbraw/zinc/21/65/73/182216573.db2.gz TVTJSJHBSULRBO-ZYHUDNBSSA-N 0 0 314.242 5.215 10 0 DKAERN C[C@H]1C[C@@H](Nc2ccc(F)cc2Br)CC(C)(C)C1 ZINC000020430367 182216387 /nfs/dbraw/zinc/21/63/87/182216387.db2.gz TVTJSJHBSULRBO-CMPLNLGQSA-N 0 0 314.242 5.215 10 0 DKAERN C[C@@H]1C[C@H](Nc2ccc(F)cc2Br)CC(C)(C)C1 ZINC000020430368 182216594 /nfs/dbraw/zinc/21/65/94/182216594.db2.gz TVTJSJHBSULRBO-PWSUYJOCSA-N 0 0 314.242 5.215 10 0 DKAERN C[C@H]1C[C@H](Nc2ccc(F)cc2Br)CC(C)(C)C1 ZINC000020430369 182216662 /nfs/dbraw/zinc/21/66/62/182216662.db2.gz TVTJSJHBSULRBO-JQWIXIFHSA-N 0 0 314.242 5.215 10 0 DKAERN CC[C@@H](Nc1ccc(F)cc1Br)c1ccc(C)cc1 ZINC000020430426 182216281 /nfs/dbraw/zinc/21/62/81/182216281.db2.gz OLVOPKBZCXUNFZ-OAHLLOKOSA-N 0 0 322.221 5.460 10 0 DKAERN CC[C@H](Nc1ccc(F)cc1Br)c1ccc(C)cc1 ZINC000020430427 182216493 /nfs/dbraw/zinc/21/64/93/182216493.db2.gz OLVOPKBZCXUNFZ-HNNXBMFYSA-N 0 0 322.221 5.460 10 0 DKAERN Cc1ccc(C)c([C@@H](C)Nc2ccc(F)cc2Br)c1 ZINC000020430437 182216632 /nfs/dbraw/zinc/21/66/32/182216632.db2.gz RCOBQUNWFYSQBI-GFCCVEGCSA-N 0 0 322.221 5.378 10 0 DKAERN Cc1ccc(C)c([C@H](C)Nc2ccc(F)cc2Br)c1 ZINC000020430438 182216636 /nfs/dbraw/zinc/21/66/36/182216636.db2.gz RCOBQUNWFYSQBI-LBPRGKRZSA-N 0 0 322.221 5.378 10 0 DKAERN Cc1ccc([C@@H](C)Nc2ccc(F)cc2Br)c(C)c1 ZINC000020430443 182216270 /nfs/dbraw/zinc/21/62/70/182216270.db2.gz YOAZSTJWNYSHGD-GFCCVEGCSA-N 0 0 322.221 5.378 10 0 DKAERN Cc1ccc([C@H](C)Nc2ccc(F)cc2Br)c(C)c1 ZINC000020430444 182216391 /nfs/dbraw/zinc/21/63/91/182216391.db2.gz YOAZSTJWNYSHGD-LBPRGKRZSA-N 0 0 322.221 5.378 10 0 DKAERN Cc1ccc([C@@H](C)Nc2ccc(F)cc2Br)cc1 ZINC000020430548 182216502 /nfs/dbraw/zinc/21/65/02/182216502.db2.gz MELOQGTWIAIHJP-LLVKDONJSA-N 0 0 308.194 5.070 10 0 DKAERN Cc1ccc([C@H](C)Nc2ccc(F)cc2Br)cc1 ZINC000020430549 182216329 /nfs/dbraw/zinc/21/63/29/182216329.db2.gz MELOQGTWIAIHJP-NSHDSACASA-N 0 0 308.194 5.070 10 0 DKAERN Cc1ccc(CNc2c(Cl)cccc2C(F)(F)F)s1 ZINC000020442550 182218103 /nfs/dbraw/zinc/21/81/03/182218103.db2.gz STWRVIQHWOOXEB-UHFFFAOYSA-N 0 0 305.752 5.341 10 0 DKAERN C[C@@H](Nc1c(Cl)cccc1C(F)(F)F)c1cccs1 ZINC000020442780 182217785 /nfs/dbraw/zinc/21/77/85/182217785.db2.gz NCTZJFGNVMOFBQ-MRVPVSSYSA-N 0 0 305.752 5.593 10 0 DKAERN C[C@H](Nc1c(Cl)cccc1C(F)(F)F)c1cccs1 ZINC000020442784 182217930 /nfs/dbraw/zinc/21/79/30/182217930.db2.gz NCTZJFGNVMOFBQ-QMMMGPOBSA-N 0 0 305.752 5.593 10 0 DKAERN Cc1ccsc1CNc1c(Cl)cccc1C(F)(F)F ZINC000020442927 182217777 /nfs/dbraw/zinc/21/77/77/182217777.db2.gz HZMQOCASBNFVKT-UHFFFAOYSA-N 0 0 305.752 5.341 10 0 DKAERN Cc1ccc(N[C@H](C)c2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000020471087 182221724 /nfs/dbraw/zinc/22/17/24/182221724.db2.gz PDDWLVGHNGVMMP-SNVBAGLBSA-N 0 0 314.643 6.128 10 0 DKAERN Cc1ccc(N[C@@H](C)c2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000020471088 182221820 /nfs/dbraw/zinc/22/18/20/182221820.db2.gz PDDWLVGHNGVMMP-JTQLQIEISA-N 0 0 314.643 6.128 10 0 DKAERN Cc1ccc(N[C@H](C)c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000020471229 182221386 /nfs/dbraw/zinc/22/13/86/182221386.db2.gz ZPFDBQMJRXEGFC-SNVBAGLBSA-N 0 0 314.643 6.128 10 0 DKAERN Cc1ccc(N[C@@H](C)c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000020471230 182221461 /nfs/dbraw/zinc/22/14/61/182221461.db2.gz ZPFDBQMJRXEGFC-JTQLQIEISA-N 0 0 314.643 6.128 10 0 DKAERN Cc1ccc(N[C@H](C)c2ccc(Br)cc2)c(Cl)c1 ZINC000020471292 182221889 /nfs/dbraw/zinc/22/18/89/182221889.db2.gz GIKFOAKBICFPFY-LLVKDONJSA-N 0 0 324.649 5.584 10 0 DKAERN Cc1ccc(N[C@@H](C)c2ccc(Br)cc2)c(Cl)c1 ZINC000020471293 182221468 /nfs/dbraw/zinc/22/14/68/182221468.db2.gz GIKFOAKBICFPFY-NSHDSACASA-N 0 0 324.649 5.584 10 0 DKAERN CC[C@@H](Nc1cc(C)ccc1F)c1ccc(Br)cc1 ZINC000020471684 182221833 /nfs/dbraw/zinc/22/18/33/182221833.db2.gz VCYZQVWZBCWSEW-OAHLLOKOSA-N 0 0 322.221 5.460 10 0 DKAERN CC[C@H](Nc1cc(C)ccc1F)c1ccc(Br)cc1 ZINC000020471685 182221569 /nfs/dbraw/zinc/22/15/69/182221569.db2.gz VCYZQVWZBCWSEW-HNNXBMFYSA-N 0 0 322.221 5.460 10 0 DKAERN Cc1ccc(F)c(N[C@H](C)c2ccc(Br)cc2)c1 ZINC000020471787 182221489 /nfs/dbraw/zinc/22/14/89/182221489.db2.gz CDYJWBYPUIADJZ-LLVKDONJSA-N 0 0 308.194 5.070 10 0 DKAERN Cc1ccc(F)c(N[C@@H](C)c2ccc(Br)cc2)c1 ZINC000020471788 182221850 /nfs/dbraw/zinc/22/18/50/182221850.db2.gz CDYJWBYPUIADJZ-NSHDSACASA-N 0 0 308.194 5.070 10 0 DKAERN Fc1c(Cl)cccc1NCc1cccc(Cl)c1Cl ZINC000020472135 182221668 /nfs/dbraw/zinc/22/16/68/182221668.db2.gz SYPNZVHLKQJIFY-UHFFFAOYSA-N 0 0 304.579 5.398 10 0 DKAERN CC(C)c1ccc(NCc2cc(Br)cs2)cc1 ZINC000020475075 182221842 /nfs/dbraw/zinc/22/18/42/182221842.db2.gz DIFALUVFTIHIOA-UHFFFAOYSA-N 0 0 310.260 5.246 10 0 DKAERN CC(C)c1cccc(NCc2cc(Br)cs2)c1 ZINC000020475145 182221906 /nfs/dbraw/zinc/22/19/06/182221906.db2.gz ORBNXQVQWSGLGP-UHFFFAOYSA-N 0 0 310.260 5.246 10 0 DKAERN C[C@@H](Nc1c(F)cccc1F)c1ccc(Cl)c(Cl)c1 ZINC000020476067 182221454 /nfs/dbraw/zinc/22/14/54/182221454.db2.gz NJRFGRHCDPLPRQ-MRVPVSSYSA-N 0 0 302.151 5.445 10 0 DKAERN C[C@H](Nc1c(F)cccc1F)c1ccc(Cl)c(Cl)c1 ZINC000020476068 182221432 /nfs/dbraw/zinc/22/14/32/182221432.db2.gz NJRFGRHCDPLPRQ-QMMMGPOBSA-N 0 0 302.151 5.445 10 0 DKAERN Clc1cc(Cl)c(NCCCc2ccccc2)c(Cl)c1 ZINC000020505015 182225457 /nfs/dbraw/zinc/22/54/57/182225457.db2.gz ZMZUHWLGOJNDLJ-UHFFFAOYSA-N 0 0 314.643 5.692 10 0 DKAERN Cc1ccc([C@@H](C)Nc2c(Cl)cc(Cl)cc2Cl)s1 ZINC000020505041 182225145 /nfs/dbraw/zinc/22/51/45/182225145.db2.gz WSEDCCHYCFSMTH-MRVPVSSYSA-N 0 0 320.672 6.190 10 0 DKAERN Cc1ccc([C@H](C)Nc2c(Cl)cc(Cl)cc2Cl)s1 ZINC000020505042 182225085 /nfs/dbraw/zinc/22/50/85/182225085.db2.gz WSEDCCHYCFSMTH-QMMMGPOBSA-N 0 0 320.672 6.190 10 0 DKAERN Clc1cccc(CNc2c(Cl)cc(Cl)cc2Cl)c1 ZINC000020505065 182225273 /nfs/dbraw/zinc/22/52/73/182225273.db2.gz FIBBRVKHDSSUEJ-UHFFFAOYSA-N 0 0 321.034 5.912 10 0 DKAERN Clc1cc(Cl)c(N[C@@H]2CCc3ccccc32)c(Cl)c1 ZINC000020505133 182224933 /nfs/dbraw/zinc/22/49/33/182224933.db2.gz LBBHPDGYPVSUBG-CQSZACIVSA-N 0 0 312.627 5.746 10 0 DKAERN Clc1cc(Cl)c(N[C@H]2CCc3ccccc32)c(Cl)c1 ZINC000020505134 182224939 /nfs/dbraw/zinc/22/49/39/182224939.db2.gz LBBHPDGYPVSUBG-AWEZNQCLSA-N 0 0 312.627 5.746 10 0 DKAERN C[C@@H](Nc1c(Cl)cc(Cl)cc1Cl)c1cccs1 ZINC000020505152 182224832 /nfs/dbraw/zinc/22/48/32/182224832.db2.gz UNCFVEMEGZNIGW-SSDOTTSWSA-N 0 0 306.645 5.881 10 0 DKAERN C[C@H](Nc1c(Cl)cc(Cl)cc1Cl)c1cccs1 ZINC000020505153 182224847 /nfs/dbraw/zinc/22/48/47/182224847.db2.gz UNCFVEMEGZNIGW-ZETCQYMHSA-N 0 0 306.645 5.881 10 0 DKAERN C[C@@H](Nc1c(Cl)cc(Cl)cc1Cl)c1cccnc1 ZINC000020505154 182225478 /nfs/dbraw/zinc/22/54/78/182225478.db2.gz FDXFUFIVDYOFTB-MRVPVSSYSA-N 0 0 301.604 5.215 10 0 DKAERN C[C@H](Nc1c(Cl)cc(Cl)cc1Cl)c1cccnc1 ZINC000020505155 182225041 /nfs/dbraw/zinc/22/50/41/182225041.db2.gz FDXFUFIVDYOFTB-QMMMGPOBSA-N 0 0 301.604 5.215 10 0 DKAERN C[C@@H](Nc1c(Cl)cc(Cl)cc1Cl)c1ccccn1 ZINC000020505158 182224944 /nfs/dbraw/zinc/22/49/44/182224944.db2.gz QHWXLLZSNLDBPH-MRVPVSSYSA-N 0 0 301.604 5.215 10 0 DKAERN C[C@H](Nc1c(Cl)cc(Cl)cc1Cl)c1ccccn1 ZINC000020505159 182225405 /nfs/dbraw/zinc/22/54/05/182225405.db2.gz QHWXLLZSNLDBPH-QMMMGPOBSA-N 0 0 301.604 5.215 10 0 DKAERN CC[C@@H](Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1 ZINC000020505176 182225485 /nfs/dbraw/zinc/22/54/85/182225485.db2.gz WGRBFNVIOBLBAM-CQSZACIVSA-N 0 0 314.643 6.210 10 0 DKAERN CC[C@H](Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1 ZINC000020505177 182225289 /nfs/dbraw/zinc/22/52/89/182225289.db2.gz WGRBFNVIOBLBAM-AWEZNQCLSA-N 0 0 314.643 6.210 10 0 DKAERN C[C@@H](Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1 ZINC000020505182 182225194 /nfs/dbraw/zinc/22/51/94/182225194.db2.gz JTVQOEOOMUSHQU-SECBINFHSA-N 0 0 300.616 5.820 10 0 DKAERN C[C@H](Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1 ZINC000020505183 182225113 /nfs/dbraw/zinc/22/51/13/182225113.db2.gz JTVQOEOOMUSHQU-VIFPVBQESA-N 0 0 300.616 5.820 10 0 DKAERN Clc1cc(Cl)c(NCCc2ccccc2)c(Cl)c1 ZINC000020505210 182224970 /nfs/dbraw/zinc/22/49/70/182224970.db2.gz FVSFPTCJXQZHFS-UHFFFAOYSA-N 0 0 300.616 5.301 10 0 DKAERN CCc1ccc(CNc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000020505231 182224916 /nfs/dbraw/zinc/22/49/16/182224916.db2.gz BUCVMURECHNRIC-UHFFFAOYSA-N 0 0 314.643 5.821 10 0 DKAERN Cc1ccc(CNc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000020505234 182225198 /nfs/dbraw/zinc/22/51/98/182225198.db2.gz LQVKWLUPZIDJIU-UHFFFAOYSA-N 0 0 300.616 5.567 10 0 DKAERN Cc1ccccc1CNc1c(Cl)cc(Cl)cc1Cl ZINC000020505235 182225214 /nfs/dbraw/zinc/22/52/14/182225214.db2.gz JVEIKRDDDQTBIW-UHFFFAOYSA-N 0 0 300.616 5.567 10 0 DKAERN COc1ccccc1CNc1c(Cl)cc(Cl)cc1Cl ZINC000020505237 182225977 /nfs/dbraw/zinc/22/59/77/182225977.db2.gz BCOWERFLFWWZAY-UHFFFAOYSA-N 0 0 316.615 5.268 10 0 DKAERN Cc1ccc(CNc2c(Cl)cc(Cl)cc2Cl)c(C)c1 ZINC000020505261 182225944 /nfs/dbraw/zinc/22/59/44/182225944.db2.gz ZYCIIGLMPCOCEX-UHFFFAOYSA-N 0 0 314.643 5.876 10 0 DKAERN CCCCCC[C@@H](C)Nc1ccc(Br)cc1F ZINC000020519981 182226430 /nfs/dbraw/zinc/22/64/30/182226430.db2.gz UCJAKSCCWIJHRL-LLVKDONJSA-N 0 0 302.231 5.359 10 0 DKAERN CCCCCC[C@H](C)Nc1ccc(Br)cc1F ZINC000020519982 182226320 /nfs/dbraw/zinc/22/63/20/182226320.db2.gz UCJAKSCCWIJHRL-NSHDSACASA-N 0 0 302.231 5.359 10 0 DKAERN Nc1cc(Cl)ccc1SCc1ccc(Cl)c(Cl)c1 ZINC000020521721 182226580 /nfs/dbraw/zinc/22/65/80/182226580.db2.gz VSRYLBQINBQUIE-UHFFFAOYSA-N 0 0 318.656 5.521 10 0 DKAERN CC(C)c1cccc(N[C@@H](C)c2ccccc2Br)c1 ZINC000020544897 182229239 /nfs/dbraw/zinc/22/92/39/182229239.db2.gz BPRPIPIVKLBCTI-ZDUSSCGKSA-N 0 0 318.258 5.746 10 0 DKAERN CC(C)c1cccc(N[C@H](C)c2ccccc2Br)c1 ZINC000020544899 182229354 /nfs/dbraw/zinc/22/93/54/182229354.db2.gz BPRPIPIVKLBCTI-CYBMUJFWSA-N 0 0 318.258 5.746 10 0 DKAERN Fc1cccc(Cl)c1CNc1cc(Cl)ccc1Cl ZINC000020545134 182229069 /nfs/dbraw/zinc/22/90/69/182229069.db2.gz GOSOQBZVCNBUBA-UHFFFAOYSA-N 0 0 304.579 5.398 10 0 DKAERN C[C@@H](Nc1ccc(Cl)c(Cl)c1)c1ccc(F)c(Cl)c1 ZINC000020545648 182228989 /nfs/dbraw/zinc/22/89/89/182228989.db2.gz XCPMGJGGTVWWGE-MRVPVSSYSA-N 0 0 318.606 5.959 10 0 DKAERN C[C@H](Nc1ccc(Cl)c(Cl)c1)c1ccc(F)c(Cl)c1 ZINC000020545649 182229100 /nfs/dbraw/zinc/22/91/00/182229100.db2.gz XCPMGJGGTVWWGE-QMMMGPOBSA-N 0 0 318.606 5.959 10 0 DKAERN Cc1ccc(Oc2ccc3ccccc3n2)c(Br)c1 ZINC000020545919 182229614 /nfs/dbraw/zinc/22/96/14/182229614.db2.gz SFXAOLNTSWZOST-UHFFFAOYSA-N 0 0 314.182 5.098 10 0 DKAERN Fc1cccc(Cl)c1CNc1cccc(C(F)(F)F)c1 ZINC000020546156 182229733 /nfs/dbraw/zinc/22/97/33/182229733.db2.gz ALFLOCOIKFLDPZ-UHFFFAOYSA-N 0 0 303.686 5.110 10 0 DKAERN C[C@@H](N[C@@H](C)c1ccc(Cl)cc1Cl)c1ccccc1F ZINC000020547516 333362813 /nfs/dbraw/zinc/36/28/13/333362813.db2.gz OGBBZSXZAQEFRI-WDEREUQCSA-N 0 0 312.215 5.544 10 0 DKAERN C[C@H](N[C@@H](C)c1ccc(Cl)cc1Cl)c1ccccc1F ZINC000020547517 333362830 /nfs/dbraw/zinc/36/28/30/333362830.db2.gz OGBBZSXZAQEFRI-QWRGUYRKSA-N 0 0 312.215 5.544 10 0 DKAERN C[C@@H](N[C@H](C)c1ccc(Cl)cc1Cl)c1ccccc1F ZINC000020547518 333362846 /nfs/dbraw/zinc/36/28/46/333362846.db2.gz OGBBZSXZAQEFRI-GHMZBOCLSA-N 0 0 312.215 5.544 10 0 DKAERN C[C@@H](N[C@@H](C)c1ccccc1F)c1ccc(Cl)cc1Cl ZINC000020547519 333322031 /nfs/dbraw/zinc/32/20/31/333322031.db2.gz OGBBZSXZAQEFRI-MNOVXSKESA-N 0 0 312.215 5.544 10 0 DKAERN COc1ccc(CNc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000020549562 182230298 /nfs/dbraw/zinc/23/02/98/182230298.db2.gz CADHAYLGIVVHPO-UHFFFAOYSA-N 0 0 316.615 5.268 10 0 DKAERN CC(C)(C)c1ccc(CNc2cc(Cl)ccc2Cl)cc1 ZINC000020550537 182230020 /nfs/dbraw/zinc/23/00/20/182230020.db2.gz IRNLNFLHZZPYDQ-UHFFFAOYSA-N 0 0 308.252 5.903 10 0 DKAERN Fc1ccc(NCc2cccc(Cl)c2Cl)c(F)c1F ZINC000020552168 182231087 /nfs/dbraw/zinc/23/10/87/182231087.db2.gz ZQXHEKKIVFYYPE-UHFFFAOYSA-N 0 0 306.114 5.023 10 0 DKAERN Cc1ccc(CNc2cc(C(F)(F)F)ccc2Cl)s1 ZINC000020552378 182230727 /nfs/dbraw/zinc/23/07/27/182230727.db2.gz KSOROQYJTOCIIY-UHFFFAOYSA-N 0 0 305.752 5.341 10 0 DKAERN CC[C@@H](Nc1ccc(Br)c(C)c1)c1ccc(C)cc1 ZINC000020552629 182231073 /nfs/dbraw/zinc/23/10/73/182231073.db2.gz UTHLOZNECKKMGT-QGZVFWFLSA-N 0 0 318.258 5.629 10 0 DKAERN CC[C@H](Nc1ccc(Br)c(C)c1)c1ccc(C)cc1 ZINC000020552630 182230793 /nfs/dbraw/zinc/23/07/93/182230793.db2.gz UTHLOZNECKKMGT-KRWDZBQOSA-N 0 0 318.258 5.629 10 0 DKAERN CCc1ccccc1N[C@@H](C)c1ccc(Br)cc1 ZINC000020552886 182231002 /nfs/dbraw/zinc/23/10/02/182231002.db2.gz IKXQYSKIOZHNNE-LBPRGKRZSA-N 0 0 304.231 5.185 10 0 DKAERN CCc1ccccc1N[C@H](C)c1ccc(Br)cc1 ZINC000020552887 182231104 /nfs/dbraw/zinc/23/11/04/182231104.db2.gz IKXQYSKIOZHNNE-GFCCVEGCSA-N 0 0 304.231 5.185 10 0 DKAERN C[C@@H](Nc1ccc(F)c(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000020552939 182231080 /nfs/dbraw/zinc/23/10/80/182231080.db2.gz ODTHDHFYFMGZDU-MRVPVSSYSA-N 0 0 302.151 5.445 10 0 DKAERN C[C@H](Nc1ccc(F)c(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000020552940 182230819 /nfs/dbraw/zinc/23/08/19/182230819.db2.gz ODTHDHFYFMGZDU-QMMMGPOBSA-N 0 0 302.151 5.445 10 0 DKAERN CC[C@@H](Nc1ccc(C)cc1Br)c1ccc(F)cc1 ZINC000020553020 182231109 /nfs/dbraw/zinc/23/11/09/182231109.db2.gz ZITDFQBIWCETLP-OAHLLOKOSA-N 0 0 322.221 5.460 10 0 DKAERN CC[C@H](Nc1ccc(C)cc1Br)c1ccc(F)cc1 ZINC000020553021 182230931 /nfs/dbraw/zinc/23/09/31/182230931.db2.gz ZITDFQBIWCETLP-HNNXBMFYSA-N 0 0 322.221 5.460 10 0 DKAERN CC[C@@H](Nc1ccc(Br)cc1C)c1cccs1 ZINC000020553199 182231000 /nfs/dbraw/zinc/23/10/00/182231000.db2.gz VHIWQZBDQQAOSP-GFCCVEGCSA-N 0 0 310.260 5.382 10 0 DKAERN CC[C@H](Nc1ccc(Br)cc1C)c1cccs1 ZINC000020553200 182231028 /nfs/dbraw/zinc/23/10/28/182231028.db2.gz VHIWQZBDQQAOSP-LBPRGKRZSA-N 0 0 310.260 5.382 10 0 DKAERN CC(C)c1ccc(CNc2ccccc2Br)cc1 ZINC000020553251 182230772 /nfs/dbraw/zinc/23/07/72/182230772.db2.gz CQOBXBIUEFOROJ-UHFFFAOYSA-N 0 0 304.231 5.185 10 0 DKAERN O=Cc1c(Cl)cccc1Oc1cc(Cl)ccc1Cl ZINC000020555648 182231618 /nfs/dbraw/zinc/23/16/18/182231618.db2.gz WQBAXEADSTWZRY-UHFFFAOYSA-N 0 0 301.556 5.252 10 0 DKAERN Cc1ccc([C@@H](C)Nc2ccc(C)cc2Br)s1 ZINC000020556231 182231701 /nfs/dbraw/zinc/23/17/01/182231701.db2.gz UNMJWRBCPYMADP-LLVKDONJSA-N 0 0 310.260 5.301 10 0 DKAERN Cc1ccc([C@H](C)Nc2ccc(C)cc2Br)s1 ZINC000020556233 182231571 /nfs/dbraw/zinc/23/15/71/182231571.db2.gz UNMJWRBCPYMADP-NSHDSACASA-N 0 0 310.260 5.301 10 0 DKAERN C[C@@H](Nc1ccccc1Cl)c1ccccc1Br ZINC000020556909 182231437 /nfs/dbraw/zinc/23/14/37/182231437.db2.gz OFNLQOLPXBUMMU-SNVBAGLBSA-N 0 0 310.622 5.276 10 0 DKAERN C[C@H](Nc1ccccc1Cl)c1ccccc1Br ZINC000020556911 182231556 /nfs/dbraw/zinc/23/15/56/182231556.db2.gz OFNLQOLPXBUMMU-JTQLQIEISA-N 0 0 310.622 5.276 10 0 DKAERN C[C@@H](Nc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 ZINC000020557115 182231616 /nfs/dbraw/zinc/23/16/16/182231616.db2.gz IVWANJONFUQUOI-SECBINFHSA-N 0 0 300.616 5.820 10 0 DKAERN C[C@H](Nc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 ZINC000020557116 182231876 /nfs/dbraw/zinc/23/18/76/182231876.db2.gz IVWANJONFUQUOI-VIFPVBQESA-N 0 0 300.616 5.820 10 0 DKAERN Cc1ccc(NCc2ccccc2Cl)c(Br)c1 ZINC000020557126 182231409 /nfs/dbraw/zinc/23/14/09/182231409.db2.gz NFIOULGQJFNHKT-UHFFFAOYSA-N 0 0 310.622 5.023 10 0 DKAERN C[C@@H](N[C@@H]1CCOc2ccccc21)c1ccc(Cl)cc1Cl ZINC000020557530 333323100 /nfs/dbraw/zinc/32/31/00/333323100.db2.gz VXCGLINMWIXTIF-BDJLRTHQSA-N 0 0 322.235 5.168 10 0 DKAERN C[C@H](N[C@@H]1CCOc2ccccc21)c1ccc(Cl)cc1Cl ZINC000020557532 333323039 /nfs/dbraw/zinc/32/30/39/333323039.db2.gz VXCGLINMWIXTIF-MEDUHNTESA-N 0 0 322.235 5.168 10 0 DKAERN C[C@@H](N[C@H]1CCOc2ccccc21)c1ccc(Cl)cc1Cl ZINC000020557534 333323027 /nfs/dbraw/zinc/32/30/27/333323027.db2.gz VXCGLINMWIXTIF-BZNIZROVSA-N 0 0 322.235 5.168 10 0 DKAERN C[C@H](N[C@H]1CCOc2ccccc21)c1ccc(Cl)cc1Cl ZINC000020557536 333323035 /nfs/dbraw/zinc/32/30/35/333323035.db2.gz VXCGLINMWIXTIF-ZBEGNZNMSA-N 0 0 322.235 5.168 10 0 DKAERN Cc1c(Cl)cccc1NCc1ccc(Br)cc1 ZINC000020557652 182231301 /nfs/dbraw/zinc/23/13/01/182231301.db2.gz UDDVNAVLWSZFSO-UHFFFAOYSA-N 0 0 310.622 5.023 10 0 DKAERN C[C@@H](Nc1ccc(Cl)cc1Cl)c1ccc(F)cc1F ZINC000020558162 182231652 /nfs/dbraw/zinc/23/16/52/182231652.db2.gz HKUZBKCQEYXCGX-MRVPVSSYSA-N 0 0 302.151 5.445 10 0 DKAERN C[C@H](Nc1ccc(Cl)cc1Cl)c1ccc(F)cc1F ZINC000020558164 182231750 /nfs/dbraw/zinc/23/17/50/182231750.db2.gz HKUZBKCQEYXCGX-QMMMGPOBSA-N 0 0 302.151 5.445 10 0 DKAERN Clc1cccc(NCc2c(Cl)cccc2Cl)c1Cl ZINC000020558631 182231246 /nfs/dbraw/zinc/23/12/46/182231246.db2.gz DLRMXNUYQGWGBQ-UHFFFAOYSA-N 0 0 321.034 5.912 10 0 DKAERN CC[C@@H](Nc1cccc(Br)c1)c1cccc(Cl)c1 ZINC000020559393 182231782 /nfs/dbraw/zinc/23/17/82/182231782.db2.gz CUZPGSJMOQIWLZ-OAHLLOKOSA-N 0 0 324.649 5.666 10 0 DKAERN CC[C@H](Nc1cccc(Br)c1)c1cccc(Cl)c1 ZINC000020559395 182231520 /nfs/dbraw/zinc/23/15/20/182231520.db2.gz CUZPGSJMOQIWLZ-HNNXBMFYSA-N 0 0 324.649 5.666 10 0 DKAERN C[C@@H](Nc1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000020560751 182232254 /nfs/dbraw/zinc/23/22/54/182232254.db2.gz LJOXINZSJNFEPC-SNVBAGLBSA-N 0 0 310.622 5.276 10 0 DKAERN C[C@H](Nc1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000020560753 182232301 /nfs/dbraw/zinc/23/23/01/182232301.db2.gz LJOXINZSJNFEPC-JTQLQIEISA-N 0 0 310.622 5.276 10 0 DKAERN Cc1ccc(NCc2cccc(Cl)c2)c(Br)c1 ZINC000020560820 182232654 /nfs/dbraw/zinc/23/26/54/182232654.db2.gz WMIMOKAOCPGSHG-UHFFFAOYSA-N 0 0 310.622 5.023 10 0 DKAERN Fc1cccc(Cl)c1CNc1ccccc1C(F)(F)F ZINC000020560931 182232721 /nfs/dbraw/zinc/23/27/21/182232721.db2.gz ZETQMAWDIATQTP-UHFFFAOYSA-N 0 0 303.686 5.110 10 0 DKAERN C[C@@H](Nc1cc(Cl)cc(Cl)c1)c1ccc(F)cc1F ZINC000020561491 182232596 /nfs/dbraw/zinc/23/25/96/182232596.db2.gz LJOUKEFHXALJEE-MRVPVSSYSA-N 0 0 302.151 5.445 10 0 DKAERN C[C@H](Nc1cc(Cl)cc(Cl)c1)c1ccc(F)cc1F ZINC000020561493 182232484 /nfs/dbraw/zinc/23/24/84/182232484.db2.gz LJOUKEFHXALJEE-QMMMGPOBSA-N 0 0 302.151 5.445 10 0 DKAERN Cc1cc(N[C@@H]2C[C@@H](C)CC(C)(C)C2)ccc1Br ZINC000020561836 182232367 /nfs/dbraw/zinc/23/23/67/182232367.db2.gz NJQBWVQSBMSLHG-BXUZGUMPSA-N 0 0 310.279 5.384 10 0 DKAERN Cc1cc(N[C@@H]2C[C@H](C)CC(C)(C)C2)ccc1Br ZINC000020561839 182232230 /nfs/dbraw/zinc/23/22/30/182232230.db2.gz NJQBWVQSBMSLHG-SMDDNHRTSA-N 0 0 310.279 5.384 10 0 DKAERN Cc1cc(N[C@H]2C[C@@H](C)CC(C)(C)C2)ccc1Br ZINC000020561841 182232263 /nfs/dbraw/zinc/23/22/63/182232263.db2.gz NJQBWVQSBMSLHG-RISCZKNCSA-N 0 0 310.279 5.384 10 0 DKAERN Cc1cc(N[C@H]2C[C@H](C)CC(C)(C)C2)ccc1Br ZINC000020561844 182232059 /nfs/dbraw/zinc/23/20/59/182232059.db2.gz NJQBWVQSBMSLHG-FZMZJTMJSA-N 0 0 310.279 5.384 10 0 DKAERN Fc1ccc(CNc2cc(Cl)ccc2Cl)c(Cl)c1 ZINC000020562183 182232391 /nfs/dbraw/zinc/23/23/91/182232391.db2.gz XMIWNIXTWRRBFE-UHFFFAOYSA-N 0 0 304.579 5.398 10 0 DKAERN Cc1ccc(CNc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000020562303 182232217 /nfs/dbraw/zinc/23/22/17/182232217.db2.gz RELXUPIMMDXRPS-UHFFFAOYSA-N 0 0 300.616 5.567 10 0 DKAERN CCCOc1ccc(CNc2cc(Cl)ccc2Cl)cc1 ZINC000020562484 182232359 /nfs/dbraw/zinc/23/23/59/182232359.db2.gz JYISRLYBBSODSL-UHFFFAOYSA-N 0 0 310.224 5.394 10 0 DKAERN Cc1ccc(NCc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000020562651 182232085 /nfs/dbraw/zinc/23/20/85/182232085.db2.gz UZRAHHZOECEQOK-UHFFFAOYSA-N 0 0 300.616 5.567 10 0 DKAERN Cc1cc(Cl)ccc1NCc1ccc(Br)cc1 ZINC000020563464 182232456 /nfs/dbraw/zinc/23/24/56/182232456.db2.gz CYRDLFHHMQXQKG-UHFFFAOYSA-N 0 0 310.622 5.023 10 0 DKAERN CC[C@@H](Nc1ccc(C)cc1Br)c1cccs1 ZINC000020563938 182232737 /nfs/dbraw/zinc/23/27/37/182232737.db2.gz TUVAFLFENRTKMA-GFCCVEGCSA-N 0 0 310.260 5.382 10 0 DKAERN CC[C@H](Nc1ccc(C)cc1Br)c1cccs1 ZINC000020563940 182232288 /nfs/dbraw/zinc/23/22/88/182232288.db2.gz TUVAFLFENRTKMA-LBPRGKRZSA-N 0 0 310.260 5.382 10 0 DKAERN Fc1cccc(Cl)c1CNc1ccc(Cl)c(Cl)c1 ZINC000020564218 182233169 /nfs/dbraw/zinc/23/31/69/182233169.db2.gz YIIQRCQLNZYFBF-UHFFFAOYSA-N 0 0 304.579 5.398 10 0 DKAERN CC(C)(C)c1ccc(CNc2cccc(Br)c2)cc1 ZINC000020565685 182233047 /nfs/dbraw/zinc/23/30/47/182233047.db2.gz VUYGSNGVFCWULB-UHFFFAOYSA-N 0 0 318.258 5.359 10 0 DKAERN Fc1ccc(CNc2cc(Cl)c(Cl)cc2Cl)cc1F ZINC000020566044 182233237 /nfs/dbraw/zinc/23/32/37/182233237.db2.gz WOFDZFSCDSOLGM-UHFFFAOYSA-N 0 0 322.569 5.537 10 0 DKAERN CC1(C)Cc2c(cc(-c3ccccc3)n2C2CCCCC2)C(=O)C1 ZINC000020568415 182233887 /nfs/dbraw/zinc/23/38/87/182233887.db2.gz XKSOEUPVFUEJMB-UHFFFAOYSA-N 0 0 321.464 5.815 10 0 DKAERN CC[C@@H](C)c1ccccc1NC(=O)CCSc1ccccc1 ZINC000020573342 182234135 /nfs/dbraw/zinc/23/41/35/182234135.db2.gz ZAJZKBAUZKUODV-OAHLLOKOSA-N 0 0 313.466 5.321 10 0 DKAERN CC[C@H](C)c1ccccc1NC(=O)CCSc1ccccc1 ZINC000020573344 182234395 /nfs/dbraw/zinc/23/43/95/182234395.db2.gz ZAJZKBAUZKUODV-HNNXBMFYSA-N 0 0 313.466 5.321 10 0 DKAERN Cc1ccc(Cl)c(Nc2nc3ccccc3s2)c1Cl ZINC000020586225 182236006 /nfs/dbraw/zinc/23/60/06/182236006.db2.gz GPDYHZKXBTWDQG-UHFFFAOYSA-N 0 0 309.221 5.655 10 0 DKAERN S=c1[nH]c(-c2ccccc2Cl)c(-c2ccccc2Cl)[nH]1 ZINC000020593998 182235894 /nfs/dbraw/zinc/23/58/94/182235894.db2.gz VFNBRRSVZJMONX-UHFFFAOYSA-N 0 0 321.232 5.713 10 0 DKAERN C[C@@H](Nc1ccc(F)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000020594782 182235968 /nfs/dbraw/zinc/23/59/68/182235968.db2.gz TURAHJFRNZSSKC-MRVPVSSYSA-N 0 0 318.606 5.959 10 0 DKAERN C[C@H](Nc1ccc(F)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000020594784 182235672 /nfs/dbraw/zinc/23/56/72/182235672.db2.gz TURAHJFRNZSSKC-QMMMGPOBSA-N 0 0 318.606 5.959 10 0 DKAERN C[C@@H](Nc1ccc(F)cc1Cl)c1cc(Cl)ccc1Cl ZINC000020595042 182235853 /nfs/dbraw/zinc/23/58/53/182235853.db2.gz YXBUBOMALGHTKW-MRVPVSSYSA-N 0 0 318.606 5.959 10 0 DKAERN C[C@H](Nc1ccc(F)cc1Cl)c1cc(Cl)ccc1Cl ZINC000020595044 182235445 /nfs/dbraw/zinc/23/54/45/182235445.db2.gz YXBUBOMALGHTKW-QMMMGPOBSA-N 0 0 318.606 5.959 10 0 DKAERN CCCOc1ccc(Cl)cc1CNCc1ccccc1Cl ZINC000020928761 182254266 /nfs/dbraw/zinc/25/42/66/182254266.db2.gz HPBJGNMNWRYRQM-UHFFFAOYSA-N 0 0 324.251 5.072 10 0 DKAERN COc1cccc(CNc2cc(Cl)c(Cl)cc2Cl)c1 ZINC000021007801 182259377 /nfs/dbraw/zinc/25/93/77/182259377.db2.gz CCOQMCWZABDDMB-UHFFFAOYSA-N 0 0 316.615 5.268 10 0 DKAERN CCc1ccc(N[C@H](C)c2cccc(Br)c2)cc1 ZINC000021008492 182259598 /nfs/dbraw/zinc/25/95/98/182259598.db2.gz BILZQMOMUZFFRM-GFCCVEGCSA-N 0 0 304.231 5.185 10 0 DKAERN CC(C)(C)[C@@H]1CCCC[C@@H]1Nc1ccc(Br)cc1 ZINC000021008692 182259335 /nfs/dbraw/zinc/25/93/35/182259335.db2.gz LBISWZZYDCVJEF-CABCVRRESA-N 0 0 310.279 5.466 10 0 DKAERN CC(C)(C)[C@H]1CCCC[C@@H]1Nc1ccc(Br)cc1 ZINC000021008693 182259607 /nfs/dbraw/zinc/25/96/07/182259607.db2.gz LBISWZZYDCVJEF-GJZGRUSLSA-N 0 0 310.279 5.466 10 0 DKAERN CC(C)(C)[C@@H]1CCCC[C@H]1Nc1ccc(Br)cc1 ZINC000021008694 182259519 /nfs/dbraw/zinc/25/95/19/182259519.db2.gz LBISWZZYDCVJEF-HUUCEWRRSA-N 0 0 310.279 5.466 10 0 DKAERN CC(C)(C)[C@H]1CCCC[C@H]1Nc1ccc(Br)cc1 ZINC000021008695 182259445 /nfs/dbraw/zinc/25/94/45/182259445.db2.gz LBISWZZYDCVJEF-LSDHHAIUSA-N 0 0 310.279 5.466 10 0 DKAERN CC[C@@H](Nc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000021009306 182259374 /nfs/dbraw/zinc/25/93/74/182259374.db2.gz DFPNCWZLKCQTGE-CQSZACIVSA-N 0 0 314.643 6.210 10 0 DKAERN CC[C@H](Nc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000021009307 182259247 /nfs/dbraw/zinc/25/92/47/182259247.db2.gz DFPNCWZLKCQTGE-AWEZNQCLSA-N 0 0 314.643 6.210 10 0 DKAERN C[C@@H](Nc1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000021009458 182259599 /nfs/dbraw/zinc/25/95/99/182259599.db2.gz LHWLHJFIVFUHAX-SNVBAGLBSA-N 0 0 310.622 5.276 10 0 DKAERN C[C@H](Nc1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000021009460 182259331 /nfs/dbraw/zinc/25/93/31/182259331.db2.gz LHWLHJFIVFUHAX-JTQLQIEISA-N 0 0 310.622 5.276 10 0 DKAERN C[C@@H](Nc1ccccc1Br)c1ccccc1Cl ZINC000021010162 182260098 /nfs/dbraw/zinc/26/00/98/182260098.db2.gz LJYLBWVPGTYVIA-SNVBAGLBSA-N 0 0 310.622 5.276 10 0 DKAERN C[C@H](Nc1ccccc1Br)c1ccccc1Cl ZINC000021010164 182259796 /nfs/dbraw/zinc/25/97/96/182259796.db2.gz LJYLBWVPGTYVIA-JTQLQIEISA-N 0 0 310.622 5.276 10 0 DKAERN Cc1cc(Br)ccc1N[C@H](C)c1cccc(F)c1 ZINC000021010787 182260306 /nfs/dbraw/zinc/26/03/06/182260306.db2.gz VJCORLOEOWSIGT-LLVKDONJSA-N 0 0 308.194 5.070 10 0 DKAERN Cc1cc(Br)ccc1N[C@@H](C)c1cccc(F)c1 ZINC000021010788 182259847 /nfs/dbraw/zinc/25/98/47/182259847.db2.gz VJCORLOEOWSIGT-NSHDSACASA-N 0 0 308.194 5.070 10 0 DKAERN CCC[C@@H](Nc1ccc(Br)cc1C)c1ccccc1 ZINC000021012251 182260212 /nfs/dbraw/zinc/26/02/12/182260212.db2.gz HVWYZOCDRWHOFP-QGZVFWFLSA-N 0 0 318.258 5.711 10 0 DKAERN CCC[C@H](Nc1ccc(Br)cc1C)c1ccccc1 ZINC000021012252 182260208 /nfs/dbraw/zinc/26/02/08/182260208.db2.gz HVWYZOCDRWHOFP-KRWDZBQOSA-N 0 0 318.258 5.711 10 0 DKAERN CC[C@@H](Nc1cccc(Cl)c1Cl)c1ccc(Cl)cc1 ZINC000021012355 182260248 /nfs/dbraw/zinc/26/02/48/182260248.db2.gz FPTAMUIDCJTLCI-CYBMUJFWSA-N 0 0 314.643 6.210 10 0 DKAERN CC[C@H](Nc1cccc(Cl)c1Cl)c1ccc(Cl)cc1 ZINC000021012356 182259908 /nfs/dbraw/zinc/25/99/08/182259908.db2.gz FPTAMUIDCJTLCI-ZDUSSCGKSA-N 0 0 314.643 6.210 10 0 DKAERN Fc1cccc(CNc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000021012592 182260245 /nfs/dbraw/zinc/26/02/45/182260245.db2.gz ZUWSDQGHRAJGGE-UHFFFAOYSA-N 0 0 303.686 5.110 10 0 DKAERN C[C@@H](Nc1cccc(Cl)c1Cl)c1ccc(Cl)cc1 ZINC000021012608 182260268 /nfs/dbraw/zinc/26/02/68/182260268.db2.gz DLGZMKCJCMYAHU-SECBINFHSA-N 0 0 300.616 5.820 10 0 DKAERN C[C@H](Nc1cccc(Cl)c1Cl)c1ccc(Cl)cc1 ZINC000021012609 182259857 /nfs/dbraw/zinc/25/98/57/182259857.db2.gz DLGZMKCJCMYAHU-VIFPVBQESA-N 0 0 300.616 5.820 10 0 DKAERN CC[C@@H](Nc1ccccc1Br)c1ccc(OC)cc1 ZINC000021012752 182259747 /nfs/dbraw/zinc/25/97/47/182259747.db2.gz WXTZFGDJWLQPCD-OAHLLOKOSA-N 0 0 320.230 5.021 10 0 DKAERN CC[C@H](Nc1ccccc1Br)c1ccc(OC)cc1 ZINC000021012753 182259838 /nfs/dbraw/zinc/25/98/38/182259838.db2.gz WXTZFGDJWLQPCD-HNNXBMFYSA-N 0 0 320.230 5.021 10 0 DKAERN CC(=O)c1ccccc1Oc1cc(Cl)c(Cl)cc1Cl ZINC000021012837 182260298 /nfs/dbraw/zinc/26/02/98/182260298.db2.gz MITJVZVZZPMSSD-UHFFFAOYSA-N 0 0 315.583 5.642 10 0 DKAERN Cc1cc([C@@H](C)Nc2ccc(Cl)cc2Cl)c(C)s1 ZINC000021013211 182260157 /nfs/dbraw/zinc/26/01/57/182260157.db2.gz JXOMSTMVLACLLT-SECBINFHSA-N 0 0 300.254 5.845 10 0 DKAERN Cc1cc([C@H](C)Nc2ccc(Cl)cc2Cl)c(C)s1 ZINC000021013212 182260291 /nfs/dbraw/zinc/26/02/91/182260291.db2.gz JXOMSTMVLACLLT-VIFPVBQESA-N 0 0 300.254 5.845 10 0 DKAERN Brc1ccc(N[C@@H]2CCCCc3ccccc32)cc1 ZINC000021013595 182260740 /nfs/dbraw/zinc/26/07/40/182260740.db2.gz ZWGMBQMYECUWKI-QGZVFWFLSA-N 0 0 316.242 5.329 10 0 DKAERN Brc1ccc(N[C@H]2CCCCc3ccccc32)cc1 ZINC000021013596 182260914 /nfs/dbraw/zinc/26/09/14/182260914.db2.gz ZWGMBQMYECUWKI-KRWDZBQOSA-N 0 0 316.242 5.329 10 0 DKAERN Brc1cccc(OCc2cccc3ccccc32)c1 ZINC000021015201 182260906 /nfs/dbraw/zinc/26/09/06/182260906.db2.gz XLQJQRBEBOIVFY-UHFFFAOYSA-N 0 0 313.194 5.181 10 0 DKAERN CC(C)c1ccccc1NCc1cc(F)ccc1Br ZINC000021016054 182260959 /nfs/dbraw/zinc/26/09/59/182260959.db2.gz SVWWXJUVHSBMSQ-UHFFFAOYSA-N 0 0 322.221 5.324 10 0 DKAERN CC(C)c1ccc(NCc2cccc(Br)c2)cc1 ZINC000021018958 182261349 /nfs/dbraw/zinc/26/13/49/182261349.db2.gz CMKOQOCHLLMAGZ-UHFFFAOYSA-N 0 0 304.231 5.185 10 0 DKAERN CC(C)(C)c1ccc(CNc2cc(Cl)cc(Cl)c2)cc1 ZINC000021019450 182261604 /nfs/dbraw/zinc/26/16/04/182261604.db2.gz YCMNSNPMKBSLSV-UHFFFAOYSA-N 0 0 308.252 5.903 10 0 DKAERN CCOc1ccc([C@@H](C)Nc2cccc(Br)c2)cc1 ZINC000021019966 182261607 /nfs/dbraw/zinc/26/16/07/182261607.db2.gz GQNNVCGTTJWPLN-GFCCVEGCSA-N 0 0 320.230 5.021 10 0 DKAERN CCOc1ccc([C@H](C)Nc2cccc(Br)c2)cc1 ZINC000021019970 182261595 /nfs/dbraw/zinc/26/15/95/182261595.db2.gz GQNNVCGTTJWPLN-LBPRGKRZSA-N 0 0 320.230 5.021 10 0 DKAERN Cc1ccccc1[C@@H](C)Nc1cc(Cl)c(Cl)cc1Cl ZINC000021020851 182261225 /nfs/dbraw/zinc/26/12/25/182261225.db2.gz GZFJYUQKIWWNSN-SNVBAGLBSA-N 0 0 314.643 6.128 10 0 DKAERN Cc1ccccc1[C@H](C)Nc1cc(Cl)c(Cl)cc1Cl ZINC000021020856 182261660 /nfs/dbraw/zinc/26/16/60/182261660.db2.gz GZFJYUQKIWWNSN-JTQLQIEISA-N 0 0 314.643 6.128 10 0 DKAERN Fc1cccc(Cl)c1CNc1cccc(Cl)c1Cl ZINC000021021024 182261180 /nfs/dbraw/zinc/26/11/80/182261180.db2.gz KNQNYWLEQHOXKI-UHFFFAOYSA-N 0 0 304.579 5.398 10 0 DKAERN Fc1ccc(CNc2cccc(Cl)c2Cl)c(Cl)c1 ZINC000021026163 182261705 /nfs/dbraw/zinc/26/17/05/182261705.db2.gz NPYVIPXHDZRAAV-UHFFFAOYSA-N 0 0 304.579 5.398 10 0 DKAERN Cc1ccccc1[C@@H](C)Nc1ccc(Br)cc1F ZINC000021029476 182262226 /nfs/dbraw/zinc/26/22/26/182262226.db2.gz ULLMNQPQLHQQBF-LLVKDONJSA-N 0 0 308.194 5.070 10 0 DKAERN Cc1ccccc1[C@H](C)Nc1ccc(Br)cc1F ZINC000021029486 182262097 /nfs/dbraw/zinc/26/20/97/182262097.db2.gz ULLMNQPQLHQQBF-NSHDSACASA-N 0 0 308.194 5.070 10 0 DKAERN Cc1ccc(N[C@H](C)c2ccccc2Br)c(C)c1 ZINC000021030994 182262223 /nfs/dbraw/zinc/26/22/23/182262223.db2.gz SHAZGNMJTGRLEW-CYBMUJFWSA-N 0 0 304.231 5.239 10 0 DKAERN Cc1ccc(N[C@@H](C)c2ccccc2Br)c(C)c1 ZINC000021031000 182262243 /nfs/dbraw/zinc/26/22/43/182262243.db2.gz SHAZGNMJTGRLEW-ZDUSSCGKSA-N 0 0 304.231 5.239 10 0 DKAERN Fc1cccc(CNc2cc(Cl)c(Cl)cc2Cl)c1 ZINC000021038186 182263200 /nfs/dbraw/zinc/26/32/00/182263200.db2.gz NVMDDLRPEPJKEL-UHFFFAOYSA-N 0 0 304.579 5.398 10 0 DKAERN CCCc1ccc(NCc2cccc(Br)c2)cc1 ZINC000021038514 182263174 /nfs/dbraw/zinc/26/31/74/182263174.db2.gz LFUWEIQQOKHAKK-UHFFFAOYSA-N 0 0 304.231 5.014 10 0 DKAERN C[C@@H](Nc1cc(Cl)c(Cl)cc1Cl)c1cccc(F)c1 ZINC000021039743 182263090 /nfs/dbraw/zinc/26/30/90/182263090.db2.gz CWBRLCCBSUKSPA-MRVPVSSYSA-N 0 0 318.606 5.959 10 0 DKAERN C[C@H](Nc1cc(Cl)c(Cl)cc1Cl)c1cccc(F)c1 ZINC000021039749 182263241 /nfs/dbraw/zinc/26/32/41/182263241.db2.gz CWBRLCCBSUKSPA-QMMMGPOBSA-N 0 0 318.606 5.959 10 0 DKAERN Cc1cc(Cl)ccc1NCc1c(Cl)cccc1Cl ZINC000021040076 182262924 /nfs/dbraw/zinc/26/29/24/182262924.db2.gz GCORKVQPCJGWNM-UHFFFAOYSA-N 0 0 300.616 5.567 10 0 DKAERN Clc1ccc(NCc2cccc(Cl)c2Cl)c(Cl)c1 ZINC000021042696 182263127 /nfs/dbraw/zinc/26/31/27/182263127.db2.gz SCCUGZCZFPCYIL-UHFFFAOYSA-N 0 0 321.034 5.912 10 0 DKAERN COc1cc(Cl)c(C)cc1NCc1ccc(C(C)C)cc1 ZINC000021046621 182263570 /nfs/dbraw/zinc/26/35/70/182263570.db2.gz AOEDJAYXPIRBKQ-UHFFFAOYSA-N 0 0 303.833 5.393 10 0 DKAERN Clc1cc(Cl)cc(NCc2cccc3ccccc32)c1 ZINC000021047183 182263563 /nfs/dbraw/zinc/26/35/63/182263563.db2.gz CJXBYKRZKBMGLE-UHFFFAOYSA-N 0 0 302.204 5.759 10 0 DKAERN Clc1ccc(Cl)c(NCc2cccc3ccccc32)c1 ZINC000021054703 182264185 /nfs/dbraw/zinc/26/41/85/182264185.db2.gz IINILDAMGUYGJX-UHFFFAOYSA-N 0 0 302.204 5.759 10 0 DKAERN Cc1ccc(N[C@H](C)c2cc(C)ccc2C)c(Br)c1 ZINC000021054999 182264250 /nfs/dbraw/zinc/26/42/50/182264250.db2.gz PFBBISBREQRSPZ-CQSZACIVSA-N 0 0 318.258 5.547 10 0 DKAERN Cc1ccc(N[C@@H](C)c2cc(C)ccc2C)c(Br)c1 ZINC000021055004 182264217 /nfs/dbraw/zinc/26/42/17/182264217.db2.gz PFBBISBREQRSPZ-AWEZNQCLSA-N 0 0 318.258 5.547 10 0 DKAERN Brc1ccccc1NCc1ccc2ccccc2c1 ZINC000021056020 182264301 /nfs/dbraw/zinc/26/43/01/182264301.db2.gz HQQTUHDPJCZLMP-UHFFFAOYSA-N 0 0 312.210 5.214 10 0 DKAERN CC[C@@H](Nc1cccc(Br)c1)c1ccc(C)cc1 ZINC000021057120 182263723 /nfs/dbraw/zinc/26/37/23/182263723.db2.gz NDYDLOMZQGHGCZ-MRXNPFEDSA-N 0 0 304.231 5.321 10 0 DKAERN CC[C@H](Nc1cccc(Br)c1)c1ccc(C)cc1 ZINC000021057124 182263902 /nfs/dbraw/zinc/26/39/02/182263902.db2.gz NDYDLOMZQGHGCZ-INIZCTEOSA-N 0 0 304.231 5.321 10 0 DKAERN Clc1ccc(Cl)c(NCc2c(Cl)cccc2Cl)c1 ZINC000021059498 182263837 /nfs/dbraw/zinc/26/38/37/182263837.db2.gz WKLDOGSTUXUHNM-UHFFFAOYSA-N 0 0 321.034 5.912 10 0 DKAERN C[C@@H](Nc1cc(Cl)cc(Cl)c1)c1c(F)cccc1F ZINC000021059601 182263981 /nfs/dbraw/zinc/26/39/81/182263981.db2.gz ULYKALFLWFMRTF-MRVPVSSYSA-N 0 0 302.151 5.445 10 0 DKAERN C[C@H](Nc1cc(Cl)cc(Cl)c1)c1c(F)cccc1F ZINC000021059605 182263926 /nfs/dbraw/zinc/26/39/26/182263926.db2.gz ULYKALFLWFMRTF-QMMMGPOBSA-N 0 0 302.151 5.445 10 0 DKAERN Cc1cc(C)cc(N[C@H](C)c2ccc(Br)cc2)c1 ZINC000021499940 182275166 /nfs/dbraw/zinc/27/51/66/182275166.db2.gz WXUSVPXFGYEPBI-CYBMUJFWSA-N 0 0 304.231 5.239 10 0 DKAERN Cc1cc(C)cc(N[C@@H](C)c2ccc(Br)cc2)c1 ZINC000021499941 182275348 /nfs/dbraw/zinc/27/53/48/182275348.db2.gz WXUSVPXFGYEPBI-ZDUSSCGKSA-N 0 0 304.231 5.239 10 0 DKAERN C[C@@H](Nc1ccc(F)cc1F)c1ccc(Cl)cc1Cl ZINC000021499977 182275219 /nfs/dbraw/zinc/27/52/19/182275219.db2.gz NCDVJYUWCBNXJT-MRVPVSSYSA-N 0 0 302.151 5.445 10 0 DKAERN C[C@H](Nc1ccc(F)cc1F)c1ccc(Cl)cc1Cl ZINC000021499979 182275023 /nfs/dbraw/zinc/27/50/23/182275023.db2.gz NCDVJYUWCBNXJT-QMMMGPOBSA-N 0 0 302.151 5.445 10 0 DKAERN C[C@@H](Nc1ccc(Cl)cc1C(F)(F)F)c1cccs1 ZINC000021500464 182274715 /nfs/dbraw/zinc/27/47/15/182274715.db2.gz HRPAFDFUIUNURS-MRVPVSSYSA-N 0 0 305.752 5.593 10 0 DKAERN C[C@H](Nc1ccc(Cl)cc1C(F)(F)F)c1cccs1 ZINC000021500466 182275353 /nfs/dbraw/zinc/27/53/53/182275353.db2.gz HRPAFDFUIUNURS-QMMMGPOBSA-N 0 0 305.752 5.593 10 0 DKAERN CC[C@@H](Nc1ccc(C)c(F)c1)c1ccc(Br)cc1 ZINC000021501143 182275101 /nfs/dbraw/zinc/27/51/01/182275101.db2.gz AWCSLHUSOHJXGV-MRXNPFEDSA-N 0 0 322.221 5.460 10 0 DKAERN CC[C@H](Nc1ccc(C)c(F)c1)c1ccc(Br)cc1 ZINC000021501145 182275265 /nfs/dbraw/zinc/27/52/65/182275265.db2.gz AWCSLHUSOHJXGV-INIZCTEOSA-N 0 0 322.221 5.460 10 0 DKAERN C[C@@H](Nc1ccccc1Cl)c1cccc(Br)c1 ZINC000021501391 182275276 /nfs/dbraw/zinc/27/52/76/182275276.db2.gz BFPBOQXUVVIEII-SNVBAGLBSA-N 0 0 310.622 5.276 10 0 DKAERN C[C@H](Nc1ccccc1Cl)c1cccc(Br)c1 ZINC000021501393 182274863 /nfs/dbraw/zinc/27/48/63/182274863.db2.gz BFPBOQXUVVIEII-JTQLQIEISA-N 0 0 310.622 5.276 10 0 DKAERN Cc1cc(Br)ccc1N[C@@H]1CCCc2ccccc21 ZINC000021501866 182275291 /nfs/dbraw/zinc/27/52/91/182275291.db2.gz UGYCZHLDJKAPQB-QGZVFWFLSA-N 0 0 316.242 5.247 10 0 DKAERN Cc1cc(Br)ccc1N[C@H]1CCCc2ccccc21 ZINC000021501867 182275070 /nfs/dbraw/zinc/27/50/70/182275070.db2.gz UGYCZHLDJKAPQB-KRWDZBQOSA-N 0 0 316.242 5.247 10 0 DKAERN Brc1ccccc1OCc1cccc2ccccc21 ZINC000021501910 182275366 /nfs/dbraw/zinc/27/53/66/182275366.db2.gz YQUWAFGJLIEDLE-UHFFFAOYSA-N 0 0 313.194 5.181 10 0 DKAERN Cc1cc(Br)ccc1NCc1cccc(Cl)c1 ZINC000021502977 182276055 /nfs/dbraw/zinc/27/60/55/182276055.db2.gz IPPJGXBLOGRNHF-UHFFFAOYSA-N 0 0 310.622 5.023 10 0 DKAERN Cc1cc(NCc2cccc(Cl)c2)ccc1Br ZINC000021503696 182275740 /nfs/dbraw/zinc/27/57/40/182275740.db2.gz HYTNNUIKUQBFTF-UHFFFAOYSA-N 0 0 310.622 5.023 10 0 DKAERN CSc1ccc(CNc2ccc(C)cc2Br)cc1 ZINC000021503846 182276157 /nfs/dbraw/zinc/27/61/57/182276157.db2.gz MIVXRAFYLCRUQU-UHFFFAOYSA-N 0 0 322.271 5.092 10 0 DKAERN COc1cc(Cl)c(C)cc1NCc1c(F)cccc1Cl ZINC000021505028 182276126 /nfs/dbraw/zinc/27/61/26/182276126.db2.gz ALTZELAIVWFMSC-UHFFFAOYSA-N 0 0 314.187 5.062 10 0 DKAERN CCc1ccc([C@@H](C)Nc2ccc(Br)c(C)c2)cc1 ZINC000021505183 182275871 /nfs/dbraw/zinc/27/58/71/182275871.db2.gz KNPWANVWPZAGHY-CYBMUJFWSA-N 0 0 318.258 5.493 10 0 DKAERN CCc1ccc([C@H](C)Nc2ccc(Br)c(C)c2)cc1 ZINC000021505185 182275658 /nfs/dbraw/zinc/27/56/58/182275658.db2.gz KNPWANVWPZAGHY-ZDUSSCGKSA-N 0 0 318.258 5.493 10 0 DKAERN Clc1cc(Cl)c(NCCc2ccccc2)cc1Cl ZINC000021505891 182275792 /nfs/dbraw/zinc/27/57/92/182275792.db2.gz MVOUZPRRLAYSRK-UHFFFAOYSA-N 0 0 300.616 5.301 10 0 DKAERN CC[C@@H](Nc1ccccc1Br)c1ccc(Cl)cc1 ZINC000021506280 182276071 /nfs/dbraw/zinc/27/60/71/182276071.db2.gz QWJIHCJQIDUHRF-CQSZACIVSA-N 0 0 324.649 5.666 10 0 DKAERN CC[C@H](Nc1ccccc1Br)c1ccc(Cl)cc1 ZINC000021506282 182275929 /nfs/dbraw/zinc/27/59/29/182275929.db2.gz QWJIHCJQIDUHRF-AWEZNQCLSA-N 0 0 324.649 5.666 10 0 DKAERN Cc1ccc([C@@H](C)Nc2ccc(Br)cc2C)cc1 ZINC000021506304 182276164 /nfs/dbraw/zinc/27/61/64/182276164.db2.gz IQRUOUYSFFBJLF-CYBMUJFWSA-N 0 0 304.231 5.239 10 0 DKAERN Cc1ccc([C@H](C)Nc2ccc(Br)cc2C)cc1 ZINC000021506306 182275765 /nfs/dbraw/zinc/27/57/65/182275765.db2.gz IQRUOUYSFFBJLF-ZDUSSCGKSA-N 0 0 304.231 5.239 10 0 DKAERN C[C@@H](Nc1ccc(Cl)cc1)c1cc(Cl)ccc1Cl ZINC000021506470 182275557 /nfs/dbraw/zinc/27/55/57/182275557.db2.gz DIJLPPLKXQNOJW-SECBINFHSA-N 0 0 300.616 5.820 10 0 DKAERN C[C@H](Nc1ccc(Cl)cc1)c1cc(Cl)ccc1Cl ZINC000021506472 182276161 /nfs/dbraw/zinc/27/61/61/182276161.db2.gz DIJLPPLKXQNOJW-VIFPVBQESA-N 0 0 300.616 5.820 10 0 DKAERN CCOc1ccc([C@@H](C)Nc2ccccc2Br)cc1 ZINC000021507697 182275863 /nfs/dbraw/zinc/27/58/63/182275863.db2.gz FAVHTURJJMOCBZ-GFCCVEGCSA-N 0 0 320.230 5.021 10 0 DKAERN CCOc1ccc([C@H](C)Nc2ccccc2Br)cc1 ZINC000021507699 182276026 /nfs/dbraw/zinc/27/60/26/182276026.db2.gz FAVHTURJJMOCBZ-LBPRGKRZSA-N 0 0 320.230 5.021 10 0 DKAERN Brc1ccccc1NCc1cccc2ccccc21 ZINC000021508248 182276398 /nfs/dbraw/zinc/27/63/98/182276398.db2.gz CGFFZJMQZYOELT-UHFFFAOYSA-N 0 0 312.210 5.214 10 0 DKAERN Fc1ccc(CNc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000021508710 182276614 /nfs/dbraw/zinc/27/66/14/182276614.db2.gz WDHHFCBVEPQTKC-UHFFFAOYSA-N 0 0 303.686 5.110 10 0 DKAERN Cc1nc([C@@H](C)Nc2cc(Cl)cc(Cl)c2)c(C)s1 ZINC000021508745 182276617 /nfs/dbraw/zinc/27/66/17/182276617.db2.gz NPTIQKYFFLQQMH-SSDOTTSWSA-N 0 0 301.242 5.240 10 0 DKAERN Cc1nc([C@H](C)Nc2cc(Cl)cc(Cl)c2)c(C)s1 ZINC000021508747 182276806 /nfs/dbraw/zinc/27/68/06/182276806.db2.gz NPTIQKYFFLQQMH-ZETCQYMHSA-N 0 0 301.242 5.240 10 0 DKAERN CC[C@@H](Nc1ccc(Br)c(C)c1)c1ccccc1 ZINC000021509098 182276485 /nfs/dbraw/zinc/27/64/85/182276485.db2.gz XVJQGJUKTQUTKY-MRXNPFEDSA-N 0 0 304.231 5.321 10 0 DKAERN CC[C@H](Nc1ccc(Br)c(C)c1)c1ccccc1 ZINC000021509100 182276777 /nfs/dbraw/zinc/27/67/77/182276777.db2.gz XVJQGJUKTQUTKY-INIZCTEOSA-N 0 0 304.231 5.321 10 0 DKAERN Cc1ccc(NCc2ccc(C(C)C)cc2)c(Br)c1 ZINC000021509991 182276708 /nfs/dbraw/zinc/27/67/08/182276708.db2.gz CXKNELZCNXOLQS-UHFFFAOYSA-N 0 0 318.258 5.493 10 0 DKAERN CC(C)c1cccc(NCc2cc(Br)ccc2F)c1 ZINC000021510235 182276599 /nfs/dbraw/zinc/27/65/99/182276599.db2.gz KLXZZLMYCAGRQT-UHFFFAOYSA-N 0 0 322.221 5.324 10 0 DKAERN CC[C@@H](Nc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 ZINC000021510321 182276875 /nfs/dbraw/zinc/27/68/75/182276875.db2.gz ALZFDXVMIUUTFT-CQSZACIVSA-N 0 0 314.643 6.210 10 0 DKAERN CC[C@H](Nc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 ZINC000021510322 182276255 /nfs/dbraw/zinc/27/62/55/182276255.db2.gz ALZFDXVMIUUTFT-AWEZNQCLSA-N 0 0 314.643 6.210 10 0 DKAERN Fc1cccc(Cl)c1CNc1cc(Cl)cc(Cl)c1 ZINC000021510695 182276860 /nfs/dbraw/zinc/27/68/60/182276860.db2.gz VLZUSLVSHWJAFK-UHFFFAOYSA-N 0 0 304.579 5.398 10 0 DKAERN Cc1ccc(NCc2ccc(Br)cc2)cc1Cl ZINC000021510764 182276346 /nfs/dbraw/zinc/27/63/46/182276346.db2.gz NZQFKHBWUWIIDV-UHFFFAOYSA-N 0 0 310.622 5.023 10 0 DKAERN CC(C)c1ccc([C@@H](C)Nc2cccc(Br)c2)cc1 ZINC000021511575 182276855 /nfs/dbraw/zinc/27/68/55/182276855.db2.gz RVNUGNLEPBXDID-CYBMUJFWSA-N 0 0 318.258 5.746 10 0 DKAERN CC(C)c1ccc([C@H](C)Nc2cccc(Br)c2)cc1 ZINC000021511577 182276235 /nfs/dbraw/zinc/27/62/35/182276235.db2.gz RVNUGNLEPBXDID-ZDUSSCGKSA-N 0 0 318.258 5.746 10 0 DKAERN Fc1cccc(Cl)c1CNc1ccc(Cl)cc1Cl ZINC000021511958 182276719 /nfs/dbraw/zinc/27/67/19/182276719.db2.gz NOLPVGAQBBNZDN-UHFFFAOYSA-N 0 0 304.579 5.398 10 0 DKAERN C[C@@H](Nc1ccccc1Cl)c1ccc(Cl)cc1Cl ZINC000021512078 182276528 /nfs/dbraw/zinc/27/65/28/182276528.db2.gz HCTOKRWDOVXGRP-SECBINFHSA-N 0 0 300.616 5.820 10 0 DKAERN C[C@H](Nc1ccccc1Cl)c1ccc(Cl)cc1Cl ZINC000021512080 182276444 /nfs/dbraw/zinc/27/64/44/182276444.db2.gz HCTOKRWDOVXGRP-VIFPVBQESA-N 0 0 300.616 5.820 10 0 DKAERN Cc1cc(Cl)ccc1NCc1cccc(Br)c1 ZINC000021512127 182276484 /nfs/dbraw/zinc/27/64/84/182276484.db2.gz DJPQEJSJRKJJJZ-UHFFFAOYSA-N 0 0 310.622 5.023 10 0 DKAERN Fc1ccccc1CNc1cc(C(F)(F)F)ccc1Cl ZINC000021514028 182277287 /nfs/dbraw/zinc/27/72/87/182277287.db2.gz YXANCDGQSFYSCJ-UHFFFAOYSA-N 0 0 303.686 5.110 10 0 DKAERN CC(C)(C)c1ccc(CNc2cccc(Cl)c2Cl)cc1 ZINC000021515608 182277209 /nfs/dbraw/zinc/27/72/09/182277209.db2.gz LSTUVUPQITZFCI-UHFFFAOYSA-N 0 0 308.252 5.903 10 0 DKAERN Cc1c(Cl)cccc1NCc1c(Cl)cccc1Cl ZINC000021516174 182277513 /nfs/dbraw/zinc/27/75/13/182277513.db2.gz VDBJHIPYVMUOMP-UHFFFAOYSA-N 0 0 300.616 5.567 10 0 DKAERN COc1ccc(NCc2ccc(C(C)(C)C)cc2)cc1Cl ZINC000021516259 182277425 /nfs/dbraw/zinc/27/74/25/182277425.db2.gz CTKBYNLRCJGUIA-UHFFFAOYSA-N 0 0 303.833 5.258 10 0 DKAERN Cc1nc([C@@H](C)Nc2cc(Cl)ccc2Cl)c(C)s1 ZINC000021516379 182277061 /nfs/dbraw/zinc/27/70/61/182277061.db2.gz IBKZPERONWDIQA-SSDOTTSWSA-N 0 0 301.242 5.240 10 0 DKAERN Cc1nc([C@H](C)Nc2cc(Cl)ccc2Cl)c(C)s1 ZINC000021516380 182277262 /nfs/dbraw/zinc/27/72/62/182277262.db2.gz IBKZPERONWDIQA-ZETCQYMHSA-N 0 0 301.242 5.240 10 0 DKAERN Cc1cc([C@@H](C)Nc2cccc(Cl)c2Cl)c(C)s1 ZINC000021516978 182277548 /nfs/dbraw/zinc/27/75/48/182277548.db2.gz VROOTQDYPGSWAW-SECBINFHSA-N 0 0 300.254 5.845 10 0 DKAERN Cc1cc([C@H](C)Nc2cccc(Cl)c2Cl)c(C)s1 ZINC000021516979 182277563 /nfs/dbraw/zinc/27/75/63/182277563.db2.gz VROOTQDYPGSWAW-VIFPVBQESA-N 0 0 300.254 5.845 10 0 DKAERN C[C@@H](Nc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000021517019 182277580 /nfs/dbraw/zinc/27/75/80/182277580.db2.gz YKTDWOONBYRKSV-SNVBAGLBSA-N 0 0 310.622 5.276 10 0 DKAERN C[C@H](Nc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000021517020 182277005 /nfs/dbraw/zinc/27/70/05/182277005.db2.gz YKTDWOONBYRKSV-JTQLQIEISA-N 0 0 310.622 5.276 10 0 DKAERN CC[C@@H](Nc1ccc(C)cc1C)c1ccc(Br)cc1 ZINC000021517149 182277408 /nfs/dbraw/zinc/27/74/08/182277408.db2.gz RCHIONNTCKWIRM-MRXNPFEDSA-N 0 0 318.258 5.629 10 0 DKAERN CC[C@H](Nc1ccc(C)cc1C)c1ccc(Br)cc1 ZINC000021517150 182277575 /nfs/dbraw/zinc/27/75/75/182277575.db2.gz RCHIONNTCKWIRM-INIZCTEOSA-N 0 0 318.258 5.629 10 0 DKAERN C[C@@H](Nc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000021517769 182277818 /nfs/dbraw/zinc/27/78/18/182277818.db2.gz VVUGXGBIAZJJNZ-SECBINFHSA-N 0 0 300.616 5.820 10 0 DKAERN C[C@H](Nc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000021517770 182277874 /nfs/dbraw/zinc/27/78/74/182277874.db2.gz VVUGXGBIAZJJNZ-VIFPVBQESA-N 0 0 300.616 5.820 10 0 DKAERN C[C@@H](Nc1ccc(Cl)cc1Cl)c1ccccc1Cl ZINC000021517933 182278078 /nfs/dbraw/zinc/27/80/78/182278078.db2.gz UZOZKGZCGSAJRS-SECBINFHSA-N 0 0 300.616 5.820 10 0 DKAERN C[C@H](Nc1ccc(Cl)cc1Cl)c1ccccc1Cl ZINC000021517934 182277961 /nfs/dbraw/zinc/27/79/61/182277961.db2.gz UZOZKGZCGSAJRS-VIFPVBQESA-N 0 0 300.616 5.820 10 0 DKAERN CC(C)(C)c1ccc(CNc2ccc(Cl)cc2Cl)cc1 ZINC000021518167 182277865 /nfs/dbraw/zinc/27/78/65/182277865.db2.gz BPOXAGQHPKMRRK-UHFFFAOYSA-N 0 0 308.252 5.903 10 0 DKAERN Cc1ccc(NCc2ccc(Cl)cc2Cl)cc1Cl ZINC000021518440 182277991 /nfs/dbraw/zinc/27/79/91/182277991.db2.gz NYFJVTKVGWRPJV-UHFFFAOYSA-N 0 0 300.616 5.567 10 0 DKAERN CCOc1ccccc1[C@@H](C)Nc1ccccc1Br ZINC000021518620 182277693 /nfs/dbraw/zinc/27/76/93/182277693.db2.gz JJEQFMGDPCWPEZ-GFCCVEGCSA-N 0 0 320.230 5.021 10 0 DKAERN CCOc1ccccc1[C@H](C)Nc1ccccc1Br ZINC000021518621 182277788 /nfs/dbraw/zinc/27/77/88/182277788.db2.gz JJEQFMGDPCWPEZ-LBPRGKRZSA-N 0 0 320.230 5.021 10 0 DKAERN COc1ccc(NCc2cccc(Cl)c2Cl)cc1Cl ZINC000021518695 182278072 /nfs/dbraw/zinc/27/80/72/182278072.db2.gz DSOFPNVTEQHHBF-UHFFFAOYSA-N 0 0 316.615 5.268 10 0 DKAERN C[C@H](NCc1cc2ccccc2o1)c1ccc(Cl)cc1Cl ZINC000021519168 333423950 /nfs/dbraw/zinc/42/39/50/333423950.db2.gz CBVAZCOZSGWXPQ-NSHDSACASA-N 0 0 320.219 5.590 10 0 DKAERN CC[C@H](Nc1ccc(Br)cc1)c1ccc(C)cc1 ZINC000021519993 190647156 /nfs/dbraw/zinc/64/71/56/190647156.db2.gz SFGIJMFHBXOPCP-INIZCTEOSA-N 0 0 304.231 5.321 10 0 DKAERN Cc1ccc(C)c([C@H](C)Nc2cccc(Br)c2)c1 ZINC000021520002 190647180 /nfs/dbraw/zinc/64/71/80/190647180.db2.gz COOAQNPNWPJVAH-ZDUSSCGKSA-N 0 0 304.231 5.239 10 0 DKAERN CCCc1ccc([C@H](C)Nc2ccc(Br)cc2)cc1 ZINC000021520029 190647215 /nfs/dbraw/zinc/64/72/15/190647215.db2.gz ZVQJWYCJNJIWFS-ZDUSSCGKSA-N 0 0 318.258 5.575 10 0 DKAERN C[C@@H](Nc1cc(F)ccc1F)c1ccc(Cl)cc1Cl ZINC000021521032 182278406 /nfs/dbraw/zinc/27/84/06/182278406.db2.gz SVKFFEQBPWXZRK-MRVPVSSYSA-N 0 0 302.151 5.445 10 0 DKAERN C[C@H](Nc1cc(F)ccc1F)c1ccc(Cl)cc1Cl ZINC000021521033 182278723 /nfs/dbraw/zinc/27/87/23/182278723.db2.gz SVKFFEQBPWXZRK-QMMMGPOBSA-N 0 0 302.151 5.445 10 0 DKAERN Cc1ccc(NCc2cccc(Br)c2)cc1Cl ZINC000021786534 182288918 /nfs/dbraw/zinc/28/89/18/182288918.db2.gz QWFWYTNBQTXRFC-UHFFFAOYSA-N 0 0 310.622 5.023 10 0 DKAERN Cc1cc(C)c([C@@H](C)Nc2cccc(Br)c2)c(C)c1 ZINC000021787282 182289415 /nfs/dbraw/zinc/28/94/15/182289415.db2.gz LIUAKHREMFJQGF-CQSZACIVSA-N 0 0 318.258 5.547 10 0 DKAERN Cc1cc(C)c([C@H](C)Nc2cccc(Br)c2)c(C)c1 ZINC000021787284 182288933 /nfs/dbraw/zinc/28/89/33/182288933.db2.gz LIUAKHREMFJQGF-AWEZNQCLSA-N 0 0 318.258 5.547 10 0 DKAERN Cc1cc(Br)ccc1N[C@H](C)c1ccccc1F ZINC000021789502 182289012 /nfs/dbraw/zinc/28/90/12/182289012.db2.gz MMFHNXNPDUGWSQ-LLVKDONJSA-N 0 0 308.194 5.070 10 0 DKAERN Cc1cc(Br)ccc1N[C@@H](C)c1ccccc1F ZINC000021789506 182289040 /nfs/dbraw/zinc/28/90/40/182289040.db2.gz MMFHNXNPDUGWSQ-NSHDSACASA-N 0 0 308.194 5.070 10 0 DKAERN Cc1ccc(C)c([C@@H](C)Nc2ccccc2Br)c1 ZINC000021789833 182289360 /nfs/dbraw/zinc/28/93/60/182289360.db2.gz BTHAOVCUBYOSHY-CYBMUJFWSA-N 0 0 304.231 5.239 10 0 DKAERN Cc1ccc(C)c([C@H](C)Nc2ccccc2Br)c1 ZINC000021789837 182289392 /nfs/dbraw/zinc/28/93/92/182289392.db2.gz BTHAOVCUBYOSHY-ZDUSSCGKSA-N 0 0 304.231 5.239 10 0 DKAERN Fc1ccc(CNc2cc(Cl)c(Cl)cc2Cl)c(F)c1 ZINC000021792427 182289951 /nfs/dbraw/zinc/28/99/51/182289951.db2.gz HVRIPNHRBCQDAU-UHFFFAOYSA-N 0 0 322.569 5.537 10 0 DKAERN C[C@@H](Nc1ccc(Cl)c(Cl)c1)c1c(F)cccc1F ZINC000021792473 182290094 /nfs/dbraw/zinc/29/00/94/182290094.db2.gz PKQBKEVZIHKLBB-MRVPVSSYSA-N 0 0 302.151 5.445 10 0 DKAERN C[C@H](Nc1ccc(Cl)c(Cl)c1)c1c(F)cccc1F ZINC000021792477 182289835 /nfs/dbraw/zinc/28/98/35/182289835.db2.gz PKQBKEVZIHKLBB-QMMMGPOBSA-N 0 0 302.151 5.445 10 0 DKAERN Cc1ccccc1CNc1cc(Cl)c(Cl)cc1Cl ZINC000021793363 182290073 /nfs/dbraw/zinc/29/00/73/182290073.db2.gz OJXVVWKAPWSCNN-UHFFFAOYSA-N 0 0 300.616 5.567 10 0 DKAERN CCCc1ccc(NCc2ccc(Br)cc2)cc1 ZINC000021795221 182289925 /nfs/dbraw/zinc/28/99/25/182289925.db2.gz LDCDGSPGFBEXLK-UHFFFAOYSA-N 0 0 304.231 5.014 10 0 DKAERN C[C@@H](Nc1cc(Cl)cc(Cl)c1)c1ccccc1Cl ZINC000021797383 182289908 /nfs/dbraw/zinc/28/99/08/182289908.db2.gz WFRHJJBPBAVNAL-SECBINFHSA-N 0 0 300.616 5.820 10 0 DKAERN C[C@H](Nc1cc(Cl)cc(Cl)c1)c1ccccc1Cl ZINC000021797386 182289595 /nfs/dbraw/zinc/28/95/95/182289595.db2.gz WFRHJJBPBAVNAL-VIFPVBQESA-N 0 0 300.616 5.820 10 0 DKAERN Clc1cccc(Cl)c1CNc1cccc2ccccc21 ZINC000021798659 182290333 /nfs/dbraw/zinc/29/03/33/182290333.db2.gz LUYFPCZDEPCOFY-UHFFFAOYSA-N 0 0 302.204 5.759 10 0 DKAERN CCCc1ccc(NCc2ccc(Br)s2)cc1 ZINC000021800962 182290468 /nfs/dbraw/zinc/29/04/68/182290468.db2.gz XGEWLDHQACYDDW-UHFFFAOYSA-N 0 0 310.260 5.075 10 0 DKAERN FC(F)(F)c1ccc(Cl)c(NCCCc2ccccc2)c1 ZINC000021801278 182290667 /nfs/dbraw/zinc/29/06/67/182290667.db2.gz JLCCRJFVNFTCIF-UHFFFAOYSA-N 0 0 313.750 5.404 10 0 DKAERN C[C@@H](Nc1cccc(Br)c1)c1cc2ccccc2o1 ZINC000021802642 182290552 /nfs/dbraw/zinc/29/05/52/182290552.db2.gz VRJBTJNVYRFGIN-LLVKDONJSA-N 0 0 316.198 5.368 10 0 DKAERN C[C@H](Nc1cccc(Br)c1)c1cc2ccccc2o1 ZINC000021802644 182290262 /nfs/dbraw/zinc/29/02/62/182290262.db2.gz VRJBTJNVYRFGIN-NSHDSACASA-N 0 0 316.198 5.368 10 0 DKAERN CC(C)c1ccc(CNc2cccc(Br)c2)cc1 ZINC000021803758 182291556 /nfs/dbraw/zinc/29/15/56/182291556.db2.gz ISGXOASJKXAKQS-UHFFFAOYSA-N 0 0 304.231 5.185 10 0 DKAERN C[C@@H](Nc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000021803852 182291413 /nfs/dbraw/zinc/29/14/13/182291413.db2.gz HFPCVIFQUCTITD-SECBINFHSA-N 0 0 300.616 5.820 10 0 DKAERN C[C@H](Nc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000021803855 182290981 /nfs/dbraw/zinc/29/09/81/182290981.db2.gz HFPCVIFQUCTITD-VIFPVBQESA-N 0 0 300.616 5.820 10 0 DKAERN O=Cc1c(Cl)cccc1Oc1cccc(Cl)c1Cl ZINC000021803889 182291050 /nfs/dbraw/zinc/29/10/50/182291050.db2.gz JWKFRJKFZCVAHR-UHFFFAOYSA-N 0 0 301.556 5.252 10 0 DKAERN Cc1ccc([C@@H](C)Nc2ccc(C)cc2Br)c(C)c1 ZINC000021805126 182291239 /nfs/dbraw/zinc/29/12/39/182291239.db2.gz QRZBZPURPCCQNP-CQSZACIVSA-N 0 0 318.258 5.547 10 0 DKAERN Cc1ccc([C@H](C)Nc2ccc(C)cc2Br)c(C)c1 ZINC000021805128 182291361 /nfs/dbraw/zinc/29/13/61/182291361.db2.gz QRZBZPURPCCQNP-AWEZNQCLSA-N 0 0 318.258 5.547 10 0 DKAERN CSc1ccc([C@@H](C)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000021805895 182291001 /nfs/dbraw/zinc/29/10/01/182291001.db2.gz KRXMQHUFDUUQHI-SNVBAGLBSA-N 0 0 312.265 5.888 10 0 DKAERN CSc1ccc([C@H](C)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000021805897 182291006 /nfs/dbraw/zinc/29/10/06/182291006.db2.gz KRXMQHUFDUUQHI-JTQLQIEISA-N 0 0 312.265 5.888 10 0 DKAERN Cc1ccc(Cl)cc1N[C@H](C)c1cccc(Br)c1 ZINC000021808116 182291812 /nfs/dbraw/zinc/29/18/12/182291812.db2.gz RQRHIMJCIFVKBP-LLVKDONJSA-N 0 0 324.649 5.584 10 0 DKAERN Cc1ccc(Cl)cc1N[C@@H](C)c1cccc(Br)c1 ZINC000021808118 182292127 /nfs/dbraw/zinc/29/21/27/182292127.db2.gz RQRHIMJCIFVKBP-NSHDSACASA-N 0 0 324.649 5.584 10 0 DKAERN Cc1ccc(NCc2c(Cl)cccc2Cl)cc1Cl ZINC000021809212 182292166 /nfs/dbraw/zinc/29/21/66/182292166.db2.gz CXSHWECJANXFFI-UHFFFAOYSA-N 0 0 300.616 5.567 10 0 DKAERN CCc1ccc([C@@H](C)Nc2ccc(C)cc2Br)cc1 ZINC000021811441 182292002 /nfs/dbraw/zinc/29/20/02/182292002.db2.gz CQIHKJCACSXSOO-CYBMUJFWSA-N 0 0 318.258 5.493 10 0 DKAERN CCc1ccc([C@H](C)Nc2ccc(C)cc2Br)cc1 ZINC000021811443 182291838 /nfs/dbraw/zinc/29/18/38/182291838.db2.gz CQIHKJCACSXSOO-ZDUSSCGKSA-N 0 0 318.258 5.493 10 0 DKAERN CSc1ccc(N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000021812327 182291855 /nfs/dbraw/zinc/29/18/55/182291855.db2.gz JUYNPRWBUAKXJJ-JTQLQIEISA-N 0 0 312.265 5.888 10 0 DKAERN CSc1ccc(N[C@H](C)c2ccc(Cl)cc2Cl)cc1 ZINC000021812328 182291832 /nfs/dbraw/zinc/29/18/32/182291832.db2.gz JUYNPRWBUAKXJJ-SNVBAGLBSA-N 0 0 312.265 5.888 10 0 DKAERN CC(C)c1ccc(CNc2ccc(Br)cc2)cc1 ZINC000021813365 182292571 /nfs/dbraw/zinc/29/25/71/182292571.db2.gz CNFYVUOMGNHMNF-UHFFFAOYSA-N 0 0 304.231 5.185 10 0 DKAERN Brc1ccc(CNc2cccc3c2CCCC3)s1 ZINC000021813427 182293138 /nfs/dbraw/zinc/29/31/38/182293138.db2.gz FMCPJTSYHHCPIJ-UHFFFAOYSA-N 0 0 322.271 5.002 10 0 DKAERN C[C@@H](Nc1cccc(Cl)c1)c1cccc(Br)c1 ZINC000021813443 182293045 /nfs/dbraw/zinc/29/30/45/182293045.db2.gz OJQUBOSFJUGCOB-SNVBAGLBSA-N 0 0 310.622 5.276 10 0 DKAERN C[C@H](Nc1cccc(Cl)c1)c1cccc(Br)c1 ZINC000021813444 182292766 /nfs/dbraw/zinc/29/27/66/182292766.db2.gz OJQUBOSFJUGCOB-JTQLQIEISA-N 0 0 310.622 5.276 10 0 DKAERN Cc1cc(F)ccc1N[C@H](C)c1ccccc1Br ZINC000021813900 182292841 /nfs/dbraw/zinc/29/28/41/182292841.db2.gz QSUTXRQAXBQZPJ-LLVKDONJSA-N 0 0 308.194 5.070 10 0 DKAERN Cc1cc(F)ccc1N[C@@H](C)c1ccccc1Br ZINC000021813901 182293163 /nfs/dbraw/zinc/29/31/63/182293163.db2.gz QSUTXRQAXBQZPJ-NSHDSACASA-N 0 0 308.194 5.070 10 0 DKAERN C[C@@H](Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1F ZINC000021813913 182292479 /nfs/dbraw/zinc/29/24/79/182292479.db2.gz VSAYUOVUPQJQKG-MRVPVSSYSA-N 0 0 302.151 5.445 10 0 DKAERN C[C@H](Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1F ZINC000021813914 182293064 /nfs/dbraw/zinc/29/30/64/182293064.db2.gz VSAYUOVUPQJQKG-QMMMGPOBSA-N 0 0 302.151 5.445 10 0 DKAERN Cc1c(Cl)cccc1NCc1cccc(Cl)c1Cl ZINC000021813992 182292847 /nfs/dbraw/zinc/29/28/47/182292847.db2.gz RGSVMJPAOLJLCQ-UHFFFAOYSA-N 0 0 300.616 5.567 10 0 DKAERN CC[C@@H](Nc1cccc(C)c1)c1ccc(Br)cc1 ZINC000021814221 182292620 /nfs/dbraw/zinc/29/26/20/182292620.db2.gz NXKVRVCVFUAAIU-MRXNPFEDSA-N 0 0 304.231 5.321 10 0 DKAERN CC[C@H](Nc1cccc(C)c1)c1ccc(Br)cc1 ZINC000021814222 182292551 /nfs/dbraw/zinc/29/25/51/182292551.db2.gz NXKVRVCVFUAAIU-INIZCTEOSA-N 0 0 304.231 5.321 10 0 DKAERN Cc1cc(Cl)ccc1N[C@H](C)c1ccc(Cl)cc1Cl ZINC000021814239 182292674 /nfs/dbraw/zinc/29/26/74/182292674.db2.gz ALIQMUHITQDJBK-SNVBAGLBSA-N 0 0 314.643 6.128 10 0 DKAERN Cc1cc(Cl)ccc1N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000021814240 182292468 /nfs/dbraw/zinc/29/24/68/182292468.db2.gz ALIQMUHITQDJBK-JTQLQIEISA-N 0 0 314.643 6.128 10 0 DKAERN Cc1ccc(N[C@@H]2CCCc3ccccc32)c(Br)c1 ZINC000021817353 182293300 /nfs/dbraw/zinc/29/33/00/182293300.db2.gz RWRDCAWBFTWLBP-MRXNPFEDSA-N 0 0 316.242 5.247 10 0 DKAERN Cc1ccc(N[C@H]2CCCc3ccccc32)c(Br)c1 ZINC000021817354 182293687 /nfs/dbraw/zinc/29/36/87/182293687.db2.gz RWRDCAWBFTWLBP-INIZCTEOSA-N 0 0 316.242 5.247 10 0 DKAERN C[C@@H](Nc1ccc(Cl)cn1)c1ccc(Cl)cc1Cl ZINC000021817408 182293528 /nfs/dbraw/zinc/29/35/28/182293528.db2.gz IQZPBWUVHYEOAS-MRVPVSSYSA-N 0 0 301.604 5.215 10 0 DKAERN C[C@H](Nc1ccc(Cl)cn1)c1ccc(Cl)cc1Cl ZINC000021817410 182293352 /nfs/dbraw/zinc/29/33/52/182293352.db2.gz IQZPBWUVHYEOAS-QMMMGPOBSA-N 0 0 301.604 5.215 10 0 DKAERN CCCOc1ccc(CNc2cccc(Cl)c2Cl)cc1 ZINC000021817439 182293577 /nfs/dbraw/zinc/29/35/77/182293577.db2.gz JZXQVTMTDDDLDM-UHFFFAOYSA-N 0 0 310.224 5.394 10 0 DKAERN CC(C)(C)C1CCC(Nc2ccccc2Br)CC1 ZINC000021818912 182293526 /nfs/dbraw/zinc/29/35/26/182293526.db2.gz REBUNLIFSDAZRS-UHFFFAOYSA-N 0 0 310.279 5.466 10 0 DKAERN Cc1ccc(NCc2ccc(Cl)cc2)c(Br)c1 ZINC000021819432 182293243 /nfs/dbraw/zinc/29/32/43/182293243.db2.gz FPQSSXWAOWAOHL-UHFFFAOYSA-N 0 0 310.622 5.023 10 0 DKAERN CCCc1ccc([C@@H](C)Nc2cccc(Br)c2)cc1 ZINC000021819479 182293334 /nfs/dbraw/zinc/29/33/34/182293334.db2.gz NNBAMXZKKKMQFX-CYBMUJFWSA-N 0 0 318.258 5.575 10 0 DKAERN CCCc1ccc([C@H](C)Nc2cccc(Br)c2)cc1 ZINC000021819481 182293274 /nfs/dbraw/zinc/29/32/74/182293274.db2.gz NNBAMXZKKKMQFX-ZDUSSCGKSA-N 0 0 318.258 5.575 10 0 DKAERN C[C@@H](Nc1cc(F)cc(F)c1)c1cc(Cl)ccc1Cl ZINC000021819595 182293380 /nfs/dbraw/zinc/29/33/80/182293380.db2.gz ZKQSZFKORZZERG-MRVPVSSYSA-N 0 0 302.151 5.445 10 0 DKAERN C[C@H](Nc1cc(F)cc(F)c1)c1cc(Cl)ccc1Cl ZINC000021819597 182293773 /nfs/dbraw/zinc/29/37/73/182293773.db2.gz ZKQSZFKORZZERG-QMMMGPOBSA-N 0 0 302.151 5.445 10 0 DKAERN CCC[C@@H]1CC[C@@H]2C[C@@H](OC(=O)c3ccc(F)cc3)CC[C@@H]2C1 ZINC000021981538 182301631 /nfs/dbraw/zinc/30/16/31/182301631.db2.gz AXJJCCUOTMQPRW-MYZZLAAOSA-N 0 0 318.432 5.368 10 0 DKAERN CC(=O)c1ccc(Oc2ccc(OCc3ccccc3)cc2)cc1 ZINC000021989516 182302582 /nfs/dbraw/zinc/30/25/82/182302582.db2.gz SAWAQNMCENTRTB-UHFFFAOYSA-N 0 0 318.372 5.261 10 0 DKAERN CC[C@@H](C)c1ccc(OCOC)c(-c2cccc3ccccc32)c1 ZINC000022001341 182302857 /nfs/dbraw/zinc/30/28/57/182302857.db2.gz LRLDLYQCZSKRMZ-MRXNPFEDSA-N 0 0 320.432 6.003 10 0 DKAERN CC[C@H](C)c1ccc(OCOC)c(-c2cccc3ccccc32)c1 ZINC000022001347 182303059 /nfs/dbraw/zinc/30/30/59/182303059.db2.gz LRLDLYQCZSKRMZ-INIZCTEOSA-N 0 0 320.432 6.003 10 0 DKAERN COC(=O)/C=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C ZINC000022054995 182306898 /nfs/dbraw/zinc/30/68/98/182306898.db2.gz SREQLAJQLXPNMC-WYSPNRNQSA-N 0 0 314.469 5.691 10 0 in-vitro DKAERN CCOC1=CC2=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000022058506 182307165 /nfs/dbraw/zinc/30/71/65/182307165.db2.gz PAOWPNQOTVTCAF-OEUJLIAZSA-N 0 0 314.469 5.049 10 0 in-vitro DKAERN CCCCCCOc1c(C)cc(OC(=O)C(C)(C)C)c(C)c1C ZINC000022060213 182306806 /nfs/dbraw/zinc/30/68/06/182306806.db2.gz JHAOQGVHOPJNOE-UHFFFAOYSA-N 0 0 320.473 5.522 10 0 in-vitro DKAERN Cc1cc(NCc2ccccc2Cl)ccc1Br ZINC000022153907 182311209 /nfs/dbraw/zinc/31/12/09/182311209.db2.gz BBASWWVOEMYMOR-UHFFFAOYSA-N 0 0 310.622 5.023 10 0 DKAERN O=C1c2ccccc2-c2ccc(NC=C3C=Nc4ccccc43)cc21 ZINC000022346116 182319522 /nfs/dbraw/zinc/31/95/22/182319522.db2.gz CSKRVQPCJIVODD-WYMLVPIESA-N 0 0 322.367 5.067 10 0 DKAERN Cc1sc2ncnc(N[C@H](C)c3ccc(Cl)s3)c2c1C ZINC000025572121 337463036 /nfs/dbraw/zinc/46/30/36/337463036.db2.gz TUBPGCJTAHLQBN-MRVPVSSYSA-N 0 0 323.874 5.196 10 0 DKAERN Cc1sc2ncnc(N[C@@H](C)c3ccc(Cl)s3)c2c1C ZINC000025572124 337463055 /nfs/dbraw/zinc/46/30/55/337463055.db2.gz TUBPGCJTAHLQBN-QMMMGPOBSA-N 0 0 323.874 5.196 10 0 DKAERN CC(C)(C)c1cc(/C=C/c2cccs2)cc(C(C)(C)C)c1O ZINC000025990800 182427803 /nfs/dbraw/zinc/42/78/03/182427803.db2.gz CKAKSCVNHQGCEA-MDZDMXLPSA-N 0 0 314.494 6.219 10 0 DKAERN CCCCc1ccc(NC(=O)N(CCCC)CCCC)cc1 ZINC000026388073 182439605 /nfs/dbraw/zinc/43/96/05/182439605.db2.gz ZSQJFAFRRMBAPQ-UHFFFAOYSA-N 0 0 304.478 5.463 10 0 DKAERN Clc1ccc2c(c1)CCNc1c(Cl)ccc(Cl)c1O2 ZINC000026396565 182439877 /nfs/dbraw/zinc/43/98/77/182439877.db2.gz JJGJLCFWNFYCFD-UHFFFAOYSA-N 0 0 314.599 5.407 10 0 DKAERN CCC1(CC)Cc2c(cc(C(C)(C)C)c(O)c2C(C)(C)C)O1 ZINC000026834194 182454720 /nfs/dbraw/zinc/45/47/20/182454720.db2.gz XRWOVTOOBYSHTG-UHFFFAOYSA-N 0 0 304.474 5.481 10 0 DKAERN CCCCCCC(C)(C)c1ccc([C@H]2CCCC(=O)C2)c(O)c1 ZINC000027765969 182490752 /nfs/dbraw/zinc/49/07/52/182490752.db2.gz OXIROJJENLMQSQ-INIZCTEOSA-N 0 0 316.485 5.867 10 0 DKAERN CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H]([NH3+])CCCC(=O)[O-] ZINC000028219587 182512149 /nfs/dbraw/zinc/51/21/49/182512149.db2.gz VJQKFJDCPRJRMM-CABOLEKPSA-N 0 0 319.489 5.154 10 0 DKAERN FC(F)(F)Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000028220517 182511978 /nfs/dbraw/zinc/51/19/78/182511978.db2.gz KFXNQXRFABSPKY-UHFFFAOYSA-N 0 0 320.339 5.356 10 0 DKAERN Cc1ccc([C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NN2)cc1 ZINC000029128944 182553430 /nfs/dbraw/zinc/55/34/30/182553430.db2.gz PMLZZDFKZFUXGL-NRFANRHFSA-N 0 0 312.416 5.101 10 0 DKAERN Cc1ccc([C@H]2CC(c3ccc(-c4ccccc4)cc3)=NN2)cc1 ZINC000029128945 182553184 /nfs/dbraw/zinc/55/31/84/182553184.db2.gz PMLZZDFKZFUXGL-OAQYLSRUSA-N 0 0 312.416 5.101 10 0 DKAERN CCCC/C=C\CCCCCc1cc(=O)c2ccccc2n1C ZINC000031168219 182607717 /nfs/dbraw/zinc/60/77/17/182607717.db2.gz ILAQTUNYLVMXNW-SREVYHEPSA-N 0 0 311.469 5.388 10 0 biogenic,in-vitro DKAERN COC(=O)c1c(-c2cccc(C)c2)cccc1-c1cccc(C)c1 ZINC000032105872 563923831 /nfs/dbraw/zinc/92/38/31/563923831.db2.gz KTCRMOFUPZQXHO-UHFFFAOYSA-N 0 0 316.400 5.424 10 0 DKAERN CO[C@@H]1CC2CCC(CCCCC3CCC(C[C@@H]1O)CC3)CC2 ZINC000032105895 563923857 /nfs/dbraw/zinc/92/38/57/563923857.db2.gz BLYWNMBCXXRGPY-KKINBUFLSA-N 0 0 322.533 5.329 10 0 DKAERN CO[C@H]1CC2CCC(CCCCC3CCC(C[C@@H]1O)CC3)CC2 ZINC000032105898 563923953 /nfs/dbraw/zinc/92/39/53/563923953.db2.gz BLYWNMBCXXRGPY-AYSFWYFTSA-N 0 0 322.533 5.329 10 0 DKAERN CO[C@@H]1CC2CCC(CCCCC3CCC(C[C@H]1O)CC3)CC2 ZINC000032105901 563923891 /nfs/dbraw/zinc/92/38/91/563923891.db2.gz BLYWNMBCXXRGPY-GKKRWQMFSA-N 0 0 322.533 5.329 10 0 DKAERN CO[C@H]1CC2CCC(CCCCC3CCC(C[C@H]1O)CC3)CC2 ZINC000032105903 563441992 /nfs/dbraw/zinc/44/19/92/563441992.db2.gz BLYWNMBCXXRGPY-GLRVTRSHSA-N 0 0 322.533 5.329 10 0 DKAERN CCCCC/C=C/C/C=C\C/C=C\CCCCCCC(=O)OC ZINC000032150313 182636487 /nfs/dbraw/zinc/63/64/87/182636487.db2.gz QHATYOWJCAQINT-AERNHLEVSA-N 0 0 320.517 6.529 10 0 DKAERN Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH]c3=S)cc1 ZINC000032500103 525905054 /nfs/dbraw/zinc/90/50/54/525905054.db2.gz DHRWSADHMMDCAL-UHFFFAOYSA-N 0 0 317.417 5.059 10 0 DKAERN ClC(Cl)(Cl)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000032500802 526924620 /nfs/dbraw/zinc/92/46/20/526924620.db2.gz MOFMEOUZVZCBSH-ZDUSSCGKSA-N 0 0 300.616 5.210 10 0 DKAERN ClC(Cl)(Cl)[C@H](Nc1ccccc1)c1ccccc1 ZINC000032500803 526924810 /nfs/dbraw/zinc/92/48/10/526924810.db2.gz MOFMEOUZVZCBSH-CYBMUJFWSA-N 0 0 300.616 5.210 10 0 DKAERN CCCCC(=O)Nc1cccc(-c2ccc3ccccc3n2)c1 ZINC000033113796 182693004 /nfs/dbraw/zinc/69/30/04/182693004.db2.gz GSNLZLJDCBIXBQ-UHFFFAOYSA-N 0 0 304.393 5.031 10 0 DKAERN C/C(Cl)=C/Cc1c(C)nc2c(Cl)cccc2c1Cl ZINC000033306213 182701962 /nfs/dbraw/zinc/70/19/62/182701962.db2.gz QCVAVINQHHPNLO-VURMDHGXSA-N 0 0 300.616 5.535 10 0 DKAERN O=C(/C=C\c1cccs1)Nc1ccc(Oc2ccccc2)cc1 ZINC000033316693 182703186 /nfs/dbraw/zinc/70/31/86/182703186.db2.gz FVIGPXFNAOUWLS-SEYXRHQNSA-N 0 0 321.401 5.192 10 0 DKAERN CCc1cccc(C)c1NC(=O)/C=C\c1c(F)cccc1Cl ZINC000033316754 182703409 /nfs/dbraw/zinc/70/34/09/182703409.db2.gz AIQJCJMZSXXQAH-KHPPLWFESA-N 0 0 317.791 5.002 10 0 DKAERN Cc1ccc(Cl)cc1NC(=O)/C=C\c1c(F)cccc1Cl ZINC000033316760 182703286 /nfs/dbraw/zinc/70/32/86/182703286.db2.gz XCGILVNBTYMEDU-FPLPWBNLSA-N 0 0 324.182 5.093 10 0 DKAERN Cc1ccc(C)c(NC(=O)/C=C\c2ccc(Cl)c(Cl)c2)c1 ZINC000033317197 182703758 /nfs/dbraw/zinc/70/37/58/182703758.db2.gz IDGMRBDDKDOMDD-VURMDHGXSA-N 0 0 320.219 5.262 10 0 DKAERN COc1ccc(/C(=C(\Cl)c2ccccc2)c2ccccc2)cc1 ZINC000033352740 182706965 /nfs/dbraw/zinc/70/69/65/182706965.db2.gz CRZZNHLZXLMEPA-MRCUWXFGSA-N 0 0 320.819 5.851 10 0 DKAERN CCc1cccc(C)c1NC(=O)/C=C\c1ccc(C(C)(C)C)cc1 ZINC000033455880 182712673 /nfs/dbraw/zinc/71/26/73/182712673.db2.gz YZVAAGLSDLAYFO-QINSGFPZSA-N 0 0 321.464 5.507 10 0 DKAERN CCCCC/C=C\CCCCc1cc(=O)c2ccccc2n1C ZINC000033832801 290941500 /nfs/dbraw/zinc/94/15/00/290941500.db2.gz JWKBGGZMJGQAIK-FPLPWBNLSA-N 0 0 311.469 5.388 10 0 biogenic,in-vitro DKAERN CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OCC ZINC000033985615 563446342 /nfs/dbraw/zinc/44/63/42/563446342.db2.gz RIDOSNBWMUADGT-AFSLFLIVSA-N 0 0 304.474 5.915 10 0 in-vitro DKAERN CC(C)(C)c1ccccc1Oc1ncccc1Nc1ccccc1 ZINC000034852024 182740165 /nfs/dbraw/zinc/74/01/65/182740165.db2.gz XXNYMRBIMLXWHE-UHFFFAOYSA-N 0 0 318.420 5.915 10 0 DKAERN C[C@H](NCc1ccc(Cl)cc1Cl)c1ccc(F)c(F)c1 ZINC000035010021 336390466 /nfs/dbraw/zinc/39/04/66/336390466.db2.gz AZSSODAJYUPOID-VIFPVBQESA-N 0 0 316.178 5.122 10 0 DKAERN C[C@@H](NCc1ccc(Cl)cc1Cl)c1ccc(F)c(F)c1 ZINC000035010022 336390558 /nfs/dbraw/zinc/39/05/58/336390558.db2.gz AZSSODAJYUPOID-SECBINFHSA-N 0 0 316.178 5.122 10 0 DKAERN C[C@H](NCc1cccc(Cl)c1Cl)c1ccc(F)c(F)c1 ZINC000035010023 336390505 /nfs/dbraw/zinc/39/05/05/336390505.db2.gz NLRZKIOTYSTMAH-VIFPVBQESA-N 0 0 316.178 5.122 10 0 DKAERN C[C@@H](NCc1cccc(Cl)c1Cl)c1ccc(F)c(F)c1 ZINC000035010024 336390535 /nfs/dbraw/zinc/39/05/35/336390535.db2.gz NLRZKIOTYSTMAH-SECBINFHSA-N 0 0 316.178 5.122 10 0 DKAERN C[C@H](NCc1ccc(Cl)cc1Cl)c1ccc(F)cc1F ZINC000035010720 336390597 /nfs/dbraw/zinc/39/05/97/336390597.db2.gz SVBFTWSHFZPXOQ-VIFPVBQESA-N 0 0 316.178 5.122 10 0 DKAERN C[C@@H](NCc1ccc(Cl)cc1Cl)c1ccc(F)cc1F ZINC000035010722 336390649 /nfs/dbraw/zinc/39/06/49/336390649.db2.gz SVBFTWSHFZPXOQ-SECBINFHSA-N 0 0 316.178 5.122 10 0 DKAERN C[C@H](NCc1cccc(Cl)c1Cl)c1ccc(F)cc1F ZINC000035010724 336390611 /nfs/dbraw/zinc/39/06/11/336390611.db2.gz PQPDLJWQADXHMV-VIFPVBQESA-N 0 0 316.178 5.122 10 0 DKAERN C[C@@H](NCc1cccc(Cl)c1Cl)c1ccc(F)cc1F ZINC000035010726 336390714 /nfs/dbraw/zinc/39/07/14/336390714.db2.gz PQPDLJWQADXHMV-SECBINFHSA-N 0 0 316.178 5.122 10 0 DKAERN COc1ccc(C)cc1[C@@H](C)NCc1ccc(Cl)cc1Cl ZINC000035015127 337392391 /nfs/dbraw/zinc/39/23/91/337392391.db2.gz AWWWAIMGMJCOHW-GFCCVEGCSA-N 0 0 324.251 5.161 10 0 DKAERN COc1ccc(C)cc1[C@H](C)NCc1ccc(Cl)cc1Cl ZINC000035015129 337392316 /nfs/dbraw/zinc/39/23/16/337392316.db2.gz AWWWAIMGMJCOHW-LBPRGKRZSA-N 0 0 324.251 5.161 10 0 DKAERN COc1ccc(C)cc1[C@@H](C)NCc1cccc(Cl)c1Cl ZINC000035015131 337392325 /nfs/dbraw/zinc/39/23/25/337392325.db2.gz ZHAKJCURAZNAQI-GFCCVEGCSA-N 0 0 324.251 5.161 10 0 DKAERN COc1ccc(C)cc1[C@H](C)NCc1cccc(Cl)c1Cl ZINC000035015133 337392355 /nfs/dbraw/zinc/39/23/55/337392355.db2.gz ZHAKJCURAZNAQI-LBPRGKRZSA-N 0 0 324.251 5.161 10 0 DKAERN COc1ccc(C)cc1CN[C@@H](C)c1ccc(Cl)cc1Cl ZINC000035161970 337741426 /nfs/dbraw/zinc/74/14/26/337741426.db2.gz NDALVEUJEJUXAD-LBPRGKRZSA-N 0 0 324.251 5.161 10 0 DKAERN C[C@H](Sc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 ZINC000035183590 182760490 /nfs/dbraw/zinc/76/04/90/182760490.db2.gz KCIYXXZMFCLUFZ-JTQLQIEISA-N 0 0 311.233 5.357 10 0 DKAERN C[C@@H](Sc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 ZINC000035183591 182760284 /nfs/dbraw/zinc/76/02/84/182760284.db2.gz KCIYXXZMFCLUFZ-SNVBAGLBSA-N 0 0 311.233 5.357 10 0 DKAERN CCOc1ccc(/C=C\C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000035331964 182771382 /nfs/dbraw/zinc/77/13/82/182771382.db2.gz RKYVBSGSEBBHJU-NVNXTCNLSA-N 0 0 323.436 5.035 10 0 DKAERN C[C@@H](NCc1ccc(F)cc1)c1c(Cl)ccc(F)c1Cl ZINC000035790331 337745527 /nfs/dbraw/zinc/74/55/27/337745527.db2.gz VAMVGZHESVMGDM-SECBINFHSA-N 0 0 316.178 5.122 10 0 DKAERN C[C@H](NCc1ccccc1F)c1c(Cl)ccc(F)c1Cl ZINC000035790382 337745561 /nfs/dbraw/zinc/74/55/61/337745561.db2.gz RIFMISXMHKRGBG-VIFPVBQESA-N 0 0 316.178 5.122 10 0 DKAERN C[C@@H](NCc1ccccc1F)c1c(Cl)ccc(F)c1Cl ZINC000035790386 337745597 /nfs/dbraw/zinc/74/55/97/337745597.db2.gz RIFMISXMHKRGBG-SECBINFHSA-N 0 0 316.178 5.122 10 0 DKAERN C[C@@H](NCc1cccc(F)c1)c1c(Cl)ccc(F)c1Cl ZINC000035791274 337745599 /nfs/dbraw/zinc/74/55/99/337745599.db2.gz CGONQPOPYJZAQH-SECBINFHSA-N 0 0 316.178 5.122 10 0 DKAERN C[C@H](N[C@@H](C)c1c(Cl)ccc(F)c1Cl)c1ccco1 ZINC000035791595 337745665 /nfs/dbraw/zinc/74/56/65/337745665.db2.gz CRQMUWRDMIIGRI-IUCAKERBSA-N 0 0 302.176 5.137 10 0 DKAERN C[C@@H](N[C@@H](C)c1c(Cl)ccc(F)c1Cl)c1ccco1 ZINC000035791599 337745635 /nfs/dbraw/zinc/74/56/35/337745635.db2.gz CRQMUWRDMIIGRI-BDAKNGLRSA-N 0 0 302.176 5.137 10 0 DKAERN Clc1ccc(Cl)c2c(Cl)cc(-c3ccccc3)nc12 ZINC000036075422 182794562 /nfs/dbraw/zinc/79/45/62/182794562.db2.gz LTDHPZLXWPOFSS-UHFFFAOYSA-N 0 0 308.595 5.862 10 0 DKAERN Clc1cccc2c(Br)cc(-c3ccccc3)nc12 ZINC000036075442 182794755 /nfs/dbraw/zinc/79/47/55/182794755.db2.gz FVXFKUKLKLRKLA-UHFFFAOYSA-N 0 0 318.601 5.318 10 0 DKAERN Cc1ccc(C)c2c(Br)cc(-c3ccccc3)nc12 ZINC000036075449 182794360 /nfs/dbraw/zinc/79/43/60/182794360.db2.gz ULZHJTHUKOIWDX-UHFFFAOYSA-N 0 0 312.210 5.281 10 0 DKAERN Cc1ccc2c(Br)cc(-c3ccccc3)nc2c1C ZINC000036075451 182794460 /nfs/dbraw/zinc/79/44/60/182794460.db2.gz XCYVPECJYYUJKR-UHFFFAOYSA-N 0 0 312.210 5.281 10 0 DKAERN FC(F)(F)Oc1ccc2nc(-c3ccccc3)cc(Cl)c2c1 ZINC000036075671 182795187 /nfs/dbraw/zinc/79/51/87/182795187.db2.gz GHHIPWSGODXWDW-UHFFFAOYSA-N 0 0 323.701 5.454 10 0 DKAERN COc1ccc(Cl)c2nc(-c3ccccc3)cc(Cl)c12 ZINC000036075708 182795378 /nfs/dbraw/zinc/79/53/78/182795378.db2.gz NNCBXFBHSWQEOG-UHFFFAOYSA-N 0 0 304.176 5.217 10 0 DKAERN CC(C)c1ccccc1NCc1ccc(Br)cc1F ZINC000036668567 182834732 /nfs/dbraw/zinc/83/47/32/182834732.db2.gz HBGKYMHEMRYCPV-UHFFFAOYSA-N 0 0 322.221 5.324 10 0 DKAERN Cc1ccc([C@@H](C)Nc2cc(Br)ccc2F)s1 ZINC000036750788 182840908 /nfs/dbraw/zinc/84/09/08/182840908.db2.gz KHRQAZUOWZFRIR-SECBINFHSA-N 0 0 314.223 5.131 10 0 DKAERN Cc1ccc([C@H](C)Nc2cc(Br)ccc2F)s1 ZINC000036750792 182840829 /nfs/dbraw/zinc/84/08/29/182840829.db2.gz KHRQAZUOWZFRIR-VIFPVBQESA-N 0 0 314.223 5.131 10 0 DKAERN CC[C@H](C)C[C@H](CC)Nc1cc(Br)ccc1F ZINC000036750816 182840905 /nfs/dbraw/zinc/84/09/05/182840905.db2.gz LPMZZAUEUMCVTQ-JQWIXIFHSA-N 0 0 302.231 5.215 10 0 DKAERN Cc1ccc([C@H](C)Nc2cc(Br)ccc2F)cc1 ZINC000036751380 182840869 /nfs/dbraw/zinc/84/08/69/182840869.db2.gz TVPORICBKGQKOB-NSHDSACASA-N 0 0 308.194 5.070 10 0 DKAERN Clc1cc(-c2ccccc2)nc(-c2ccccc2Cl)n1 ZINC000036755738 182841387 /nfs/dbraw/zinc/84/13/87/182841387.db2.gz XYRLVCUBIBQSIG-UHFFFAOYSA-N 0 0 301.176 5.117 10 0 DKAERN Cc1cc(Br)ccc1C(=O)c1ccc(C(C)C)cc1 ZINC000036829506 182846804 /nfs/dbraw/zinc/84/68/04/182846804.db2.gz HEPOMIVNHYYXAC-UHFFFAOYSA-N 0 0 317.226 5.112 10 0 DKAERN Cc1cc(NC2CC(c3ccccc3)C2)ccc1Br ZINC000036840373 182848214 /nfs/dbraw/zinc/84/82/14/182848214.db2.gz YTFDPERPATVKHB-UHFFFAOYSA-N 0 0 316.242 5.116 10 0 DKAERN Cc1ccccc1NC1CC(c2ccc(Br)cc2)C1 ZINC000036842949 182847985 /nfs/dbraw/zinc/84/79/85/182847985.db2.gz ZJPWUCISDVLLQD-UHFFFAOYSA-N 0 0 316.242 5.116 10 0 DKAERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1Nc1ccc(Br)cc1 ZINC000036866008 182850006 /nfs/dbraw/zinc/85/00/06/182850006.db2.gz HPYHXQDLOKNENZ-DAXOMENPSA-N 0 0 310.279 5.322 10 0 DKAERN S=c1[nH]c2cc(Cl)ccc2n1Cc1ccccc1Cl ZINC000036889412 182851582 /nfs/dbraw/zinc/85/15/82/182851582.db2.gz ZBOXDBGRKSEQFZ-UHFFFAOYSA-N 0 0 309.221 5.054 10 0 DKAERN Cc1ccc2c(c1)[nH]c(=S)n2-c1ccc(Cl)cc1Cl ZINC000036897809 182851646 /nfs/dbraw/zinc/85/16/46/182851646.db2.gz VVSDZOMDIQTCNV-UHFFFAOYSA-N 0 0 309.221 5.303 10 0 DKAERN Fc1c(Cl)cccc1-n1c(=S)[nH]c2cccc(Cl)c21 ZINC000036898301 182851295 /nfs/dbraw/zinc/85/12/95/182851295.db2.gz ZRTBKYTXWHKRRE-UHFFFAOYSA-N 0 0 313.184 5.134 10 0 DKAERN Cc1nc([C@@H](C)N[C@@H](C)c2ccc(Cl)c(Cl)c2)cs1 ZINC000036915273 518192718 /nfs/dbraw/zinc/19/27/18/518192718.db2.gz VXJQHMXRJCBPIE-DTWKUNHWSA-N 0 0 315.269 5.170 10 0 DKAERN Cc1nc([C@H](C)N[C@@H](C)c2ccc(Cl)c(Cl)c2)cs1 ZINC000036915274 337794023 /nfs/dbraw/zinc/79/40/23/337794023.db2.gz VXJQHMXRJCBPIE-IUCAKERBSA-N 0 0 315.269 5.170 10 0 DKAERN Cc1nc([C@@H](C)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cs1 ZINC000036921680 337794233 /nfs/dbraw/zinc/79/42/33/337794233.db2.gz MYNSOVFHZSUZTJ-QWHCGFSZSA-N 0 0 302.487 5.161 10 0 DKAERN Cc1nc([C@H](C)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cs1 ZINC000036921681 337794365 /nfs/dbraw/zinc/79/43/65/337794365.db2.gz MYNSOVFHZSUZTJ-STQMWFEESA-N 0 0 302.487 5.161 10 0 DKAERN C[C@H](N[C@@H](C)c1cc(F)ccc1F)c1ccc(F)c(Cl)c1 ZINC000036921801 337794363 /nfs/dbraw/zinc/79/43/63/337794363.db2.gz PLQQINCSAABGET-UWVGGRQHSA-N 0 0 313.750 5.169 10 0 DKAERN C[C@@H](N[C@@H](C)c1ccc(F)c(Cl)c1)c1cc(F)ccc1F ZINC000036921803 337794217 /nfs/dbraw/zinc/79/42/17/337794217.db2.gz PLQQINCSAABGET-VHSXEESVSA-N 0 0 313.750 5.169 10 0 DKAERN CCCC(=O)c1ccc(-c2cccc(Br)c2)s1 ZINC000036927476 182852853 /nfs/dbraw/zinc/85/28/53/182852853.db2.gz ULDYAPDGGFGFER-UHFFFAOYSA-N 0 0 309.228 5.160 10 0 DKAERN Clc1cccc(-c2cc3ncnc(Cl)c3s2)c1Cl ZINC000036929355 182853106 /nfs/dbraw/zinc/85/31/06/182853106.db2.gz MHBIMNUEZGPJBN-UHFFFAOYSA-N 0 0 315.612 5.319 10 0 DKAERN O=C(c1csc2ccccc12)c1cc(Cl)ccc1Cl ZINC000036944903 182853825 /nfs/dbraw/zinc/85/38/25/182853825.db2.gz YNNZQWYZUCMYIA-UHFFFAOYSA-N 0 0 307.201 5.439 10 0 DKAERN Cc1nc([C@@H](C)N[C@@H](C)c2ccc(CC(C)C)cc2)cs1 ZINC000036954636 331604300 /nfs/dbraw/zinc/60/43/00/331604300.db2.gz SOVSSXBFRWLGPX-UONOGXRCSA-N 0 0 302.487 5.062 10 0 DKAERN CC[C@H](C)C[C@H](CC)Nc1ccc(Br)cc1Cl ZINC000036963635 182855717 /nfs/dbraw/zinc/85/57/17/182855717.db2.gz VGEKOXJSCQMHFX-JQWIXIFHSA-N 0 0 318.686 5.729 10 0 DKAERN Fc1cccc(CNc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000037009235 182860781 /nfs/dbraw/zinc/86/07/81/182860781.db2.gz VVKXYNFMEMPBTP-UHFFFAOYSA-N 0 0 303.686 5.110 10 0 DKAERN Cc1ccc(C)c([C@@H](C)Nc2cc(Br)ccc2C)c1 ZINC000037091106 182866730 /nfs/dbraw/zinc/86/67/30/182866730.db2.gz RCMPIFMIOYEXNO-CQSZACIVSA-N 0 0 318.258 5.547 10 0 DKAERN Cc1ccc([C@@H](C)Nc2cc(Br)ccc2C)cc1C ZINC000037091252 182867220 /nfs/dbraw/zinc/86/72/20/182867220.db2.gz VQGSGVIZIDFQPV-CQSZACIVSA-N 0 0 318.258 5.547 10 0 DKAERN Cc1ccc(Br)cc1N[C@@H](C)CCc1ccccc1 ZINC000037091365 182867241 /nfs/dbraw/zinc/86/72/41/182867241.db2.gz LXQLQTNMGHHNLC-AWEZNQCLSA-N 0 0 318.258 5.191 10 0 DKAERN Cc1ccc(Br)cc1N[C@H](C)CCc1ccccc1 ZINC000037091366 182867118 /nfs/dbraw/zinc/86/71/18/182867118.db2.gz LXQLQTNMGHHNLC-CQSZACIVSA-N 0 0 318.258 5.191 10 0 DKAERN Cc1ccc([C@@H](C)Nc2cc(Br)ccc2C)c(C)c1 ZINC000037091376 182867197 /nfs/dbraw/zinc/86/71/97/182867197.db2.gz WRKVAKFYDYMDOS-CQSZACIVSA-N 0 0 318.258 5.547 10 0 DKAERN Cc1ccc([C@H](C)Nc2cc(Br)ccc2C)c(C)c1 ZINC000037091377 182866716 /nfs/dbraw/zinc/86/67/16/182866716.db2.gz WRKVAKFYDYMDOS-AWEZNQCLSA-N 0 0 318.258 5.547 10 0 DKAERN CCCCC[C@H](C)Nc1c2nsnc2c(Cl)cc1Cl ZINC000037129073 182868783 /nfs/dbraw/zinc/86/87/83/182868783.db2.gz QPHCALLHZYTHBP-QMMMGPOBSA-N 0 0 318.273 5.379 10 0 DKAERN Nc1ccc(SCc2ccc(Cl)cc2Cl)c(F)c1 ZINC000037194559 182871669 /nfs/dbraw/zinc/87/16/69/182871669.db2.gz QABHOSXTXQGOKM-UHFFFAOYSA-N 0 0 302.201 5.007 10 0 DKAERN CC[C@@H](Nc1ccc(C)c(C)c1)c1cccc(Br)c1 ZINC000037202320 190664829 /nfs/dbraw/zinc/66/48/29/190664829.db2.gz ZQKVFSJWVCZMMH-QGZVFWFLSA-N 0 0 318.258 5.629 10 0 DKAERN Cc1ccc(N[C@@H](C)c2ccc(F)c(Br)c2)cc1C ZINC000037202358 190664845 /nfs/dbraw/zinc/66/48/45/190664845.db2.gz RMSXIYNRIKRZAP-LBPRGKRZSA-N 0 0 322.221 5.378 10 0 DKAERN C[C@H](Nc1cccc(Cl)c1)c1cc(F)c(Cl)cc1Cl ZINC000037202508 190664822 /nfs/dbraw/zinc/66/48/22/190664822.db2.gz MNHDADSVPUEKPI-QMMMGPOBSA-N 0 0 318.606 5.959 10 0 DKAERN CC[C@H](Nc1ccccc1Br)c1ccccc1OC ZINC000037203333 190664910 /nfs/dbraw/zinc/66/49/10/190664910.db2.gz DLZWPKZYWNGGIA-AWEZNQCLSA-N 0 0 320.230 5.021 10 0 DKAERN Nc1cccc(Cl)c1SCc1c(Cl)cccc1Cl ZINC000037204190 182872541 /nfs/dbraw/zinc/87/25/41/182872541.db2.gz GBWBMJIZXCTFLU-UHFFFAOYSA-N 0 0 318.656 5.521 10 0 DKAERN CSc1cccc(Nc2nc3cc(Cl)ccc3s2)c1 ZINC000037206256 182872142 /nfs/dbraw/zinc/87/21/42/182872142.db2.gz XEYMXUJVEICMLD-UHFFFAOYSA-N 0 0 306.843 5.415 10 0 DKAERN Cc1c(Cl)cccc1Nc1nc2cccc(Cl)c2s1 ZINC000037206352 182872503 /nfs/dbraw/zinc/87/25/03/182872503.db2.gz LZIRYJYBWOEBQN-UHFFFAOYSA-N 0 0 309.221 5.655 10 0 DKAERN Fc1ccc2sc(Nc3ccc(Cl)c(Cl)c3)nc2c1 ZINC000037206486 182872439 /nfs/dbraw/zinc/87/24/39/182872439.db2.gz BHSSITNFQVCSKY-UHFFFAOYSA-N 0 0 313.184 5.486 10 0 DKAERN C[C@H](Nc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1Cl ZINC000037210586 182872482 /nfs/dbraw/zinc/87/24/82/182872482.db2.gz PCDNKHZQFAXDOT-QMMMGPOBSA-N 0 0 318.606 5.959 10 0 DKAERN C[C@@H](Nc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1Cl ZINC000037210587 182872014 /nfs/dbraw/zinc/87/20/14/182872014.db2.gz PCDNKHZQFAXDOT-MRVPVSSYSA-N 0 0 318.606 5.959 10 0 DKAERN CC[C@H](Nc1cc(C)cc(C)c1)c1cccc(Br)c1 ZINC000037212495 182872216 /nfs/dbraw/zinc/87/22/16/182872216.db2.gz UTFLMROPCNURHU-KRWDZBQOSA-N 0 0 318.258 5.629 10 0 DKAERN CC[C@@H](Nc1cc(C)cc(C)c1)c1cccc(Br)c1 ZINC000037212496 182872484 /nfs/dbraw/zinc/87/24/84/182872484.db2.gz UTFLMROPCNURHU-QGZVFWFLSA-N 0 0 318.258 5.629 10 0 DKAERN CCc1ccc(N[C@@H](C)c2ccc(F)c(Br)c2)cc1 ZINC000037213069 182872870 /nfs/dbraw/zinc/87/28/70/182872870.db2.gz QEZFQJFIMVBNGC-NSHDSACASA-N 0 0 322.221 5.324 10 0 DKAERN CCc1ccccc1N[C@H](C)c1ccc(F)c(Br)c1 ZINC000037213444 182873319 /nfs/dbraw/zinc/87/33/19/182873319.db2.gz HHSNFIGZLDHHOT-LLVKDONJSA-N 0 0 322.221 5.324 10 0 DKAERN CC[C@H](Nc1ccc(F)cc1C)c1cccc(Br)c1 ZINC000037214045 182872944 /nfs/dbraw/zinc/87/29/44/182872944.db2.gz ZFJDVMHYABFZMD-HNNXBMFYSA-N 0 0 322.221 5.460 10 0 DKAERN Cc1ccc(N[C@H](C)c2ccc(Cl)c(Cl)c2Cl)cc1 ZINC000037215837 182873227 /nfs/dbraw/zinc/87/32/27/182873227.db2.gz RPMYNGUDRQDPBW-SNVBAGLBSA-N 0 0 314.643 6.128 10 0 DKAERN CCc1ccc([C@@H](CC)Nc2cccc(Br)c2)cc1 ZINC000037223781 182872939 /nfs/dbraw/zinc/87/29/39/182872939.db2.gz ICWXZZCQHDYWSY-QGZVFWFLSA-N 0 0 318.258 5.575 10 0 DKAERN C[C@H](NCc1cc(F)ccc1F)c1ccc(Cl)cc1Cl ZINC000037228352 340777060 /nfs/dbraw/zinc/77/70/60/340777060.db2.gz RRDSUEPDVYSKMH-VIFPVBQESA-N 0 0 316.178 5.122 10 0 DKAERN C[C@@H](NCc1cc(F)ccc1F)c1ccc(Cl)cc1Cl ZINC000037228353 340777157 /nfs/dbraw/zinc/77/71/57/340777157.db2.gz RRDSUEPDVYSKMH-SECBINFHSA-N 0 0 316.178 5.122 10 0 DKAERN C[C@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1Cl)c1ccco1 ZINC000037260315 182876625 /nfs/dbraw/zinc/87/66/25/182876625.db2.gz HHLYSVPCJXKWQZ-IUCAKERBSA-N 0 0 318.631 5.652 10 0 DKAERN C[C@@H](N[C@@H](C)c1cc(F)ccc1F)c1ccc(F)cc1Cl ZINC000037272407 340782560 /nfs/dbraw/zinc/78/25/60/340782560.db2.gz PZUBQPNJLBAILG-ZJUUUORDSA-N 0 0 313.750 5.169 10 0 DKAERN C[C@@H](N[C@H](C)c1cc(F)ccc1F)c1ccc(F)cc1Cl ZINC000037272411 518178397 /nfs/dbraw/zinc/17/83/97/518178397.db2.gz PZUBQPNJLBAILG-NXEZZACHSA-N 0 0 313.750 5.169 10 0 DKAERN C[C@@H](N[C@@H](C)c1ccc(F)c(F)c1)c1ccc(F)cc1Cl ZINC000037277450 340783747 /nfs/dbraw/zinc/78/37/47/340783747.db2.gz QXVVDVOCMUROMO-VHSXEESVSA-N 0 0 313.750 5.169 10 0 DKAERN C[C@@H](N[C@H](C)c1ccc(F)cc1Cl)c1ccc(F)c(F)c1 ZINC000037277451 340783695 /nfs/dbraw/zinc/78/36/95/340783695.db2.gz QXVVDVOCMUROMO-NXEZZACHSA-N 0 0 313.750 5.169 10 0 DKAERN CC[C@H](Nc1cccnc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000037283598 182877939 /nfs/dbraw/zinc/87/79/39/182877939.db2.gz DQKWCURXBZBDSC-LBPRGKRZSA-N 0 0 315.631 5.605 10 0 DKAERN C[C@@H](Sc1ccc(F)cc1F)C(=O)c1ccc(Cl)s1 ZINC000037352573 182883266 /nfs/dbraw/zinc/88/32/66/182883266.db2.gz FFAIJMBKGVOUOE-SSDOTTSWSA-N 0 0 318.797 5.043 10 0 DKAERN Cc1ccc(C)c(S[C@H](C)C(=O)c2ccc(Cl)s2)c1 ZINC000037354506 182883219 /nfs/dbraw/zinc/88/32/19/182883219.db2.gz PEGZHWIIMBBXAU-LLVKDONJSA-N 0 0 310.871 5.382 10 0 DKAERN CC[C@H](C)c1ccc(C(=O)c2ccc(Br)cc2)cc1 ZINC000037355066 182883411 /nfs/dbraw/zinc/88/34/11/182883411.db2.gz SVBVUTDTMGDNAB-LBPRGKRZSA-N 0 0 317.226 5.194 10 0 DKAERN Cc1ccccc1[C@H](C)Nc1ccc(Br)cc1Cl ZINC000037392242 182886087 /nfs/dbraw/zinc/88/60/87/182886087.db2.gz BLBFTTSWFNZWFN-NSHDSACASA-N 0 0 324.649 5.584 10 0 DKAERN CCCc1cc(Cl)nc(-c2c(Cl)cccc2Cl)n1 ZINC000037409177 182888814 /nfs/dbraw/zinc/88/88/14/182888814.db2.gz IGYIFZPFLFMAIY-UHFFFAOYSA-N 0 0 301.604 5.056 10 0 DKAERN CCCc1cc(Cl)nc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000037409199 182888978 /nfs/dbraw/zinc/88/89/78/182888978.db2.gz UZWGMEXDHVSBMF-UHFFFAOYSA-N 0 0 301.604 5.056 10 0 DKAERN Nc1c(F)cccc1Oc1cc(Cl)c(Cl)cc1Cl ZINC000037420123 182892026 /nfs/dbraw/zinc/89/20/26/182892026.db2.gz BYYSWCNBMQYSHJ-UHFFFAOYSA-N 0 0 306.551 5.160 10 0 DKAERN Clc1ccc(Cl)c(NCc2cc(Cl)cc(Cl)c2)c1 ZINC000037423301 182891776 /nfs/dbraw/zinc/89/17/76/182891776.db2.gz HLTCNOHXFMFFJU-UHFFFAOYSA-N 0 0 321.034 5.912 10 0 DKAERN Cc1cc(Cl)ccc1NCc1cc(Cl)cc(Cl)c1 ZINC000037423534 182891783 /nfs/dbraw/zinc/89/17/83/182891783.db2.gz NDOHMDWGIJSEPX-UHFFFAOYSA-N 0 0 300.616 5.567 10 0 DKAERN Cc1ccc(NCc2cc(Cl)cc(Cl)c2)c(Cl)c1 ZINC000037423797 182892180 /nfs/dbraw/zinc/89/21/80/182892180.db2.gz GPKVBKAXKSZFAO-UHFFFAOYSA-N 0 0 300.616 5.567 10 0 DKAERN CC[C@H](C)[C@H](C)Nc1ccc(Br)cc1C(F)(F)F ZINC000037518582 182903824 /nfs/dbraw/zinc/90/38/24/182903824.db2.gz ZXMWHPXXLRCTDC-IUCAKERBSA-N 0 0 324.184 5.314 10 0 DKAERN CC[C@H](Nc1ccc(Br)cc1C(F)(F)F)C(C)C ZINC000037518689 182903517 /nfs/dbraw/zinc/90/35/17/182903517.db2.gz BPEIAQOOMCZPHX-NSHDSACASA-N 0 0 324.184 5.314 10 0 DKAERN C[C@@H](Nc1ccc(Br)cc1C(F)(F)F)C1(C)CC1 ZINC000037518728 182903819 /nfs/dbraw/zinc/90/38/19/182903819.db2.gz OZBHXIULTDWPKP-MRVPVSSYSA-N 0 0 322.168 5.068 10 0 DKAERN Cc1ccccc1CN[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000037718912 340785939 /nfs/dbraw/zinc/78/59/39/340785939.db2.gz NLUNDFHDFWMKOA-LLVKDONJSA-N 0 0 312.215 5.292 10 0 DKAERN CCOc1ccc(NCc2ccc(Cl)s2)cc1Cl ZINC000037773494 182924439 /nfs/dbraw/zinc/92/44/39/182924439.db2.gz YFXMRQSTSZLCMM-UHFFFAOYSA-N 0 0 302.226 5.066 10 0 DKAERN Cc1ncc(CNc2c(Cl)cc(Cl)cc2Cl)s1 ZINC000037797142 182926868 /nfs/dbraw/zinc/92/68/68/182926868.db2.gz GOFGVJSVNSBOKN-UHFFFAOYSA-N 0 0 307.633 5.024 10 0 DKAERN C[C@@H](Nc1ccc2c(c1)CCC2)c1ccc(Br)s1 ZINC000038001710 182957742 /nfs/dbraw/zinc/95/77/42/182957742.db2.gz IRDGXULGIBJBKG-SNVBAGLBSA-N 0 0 322.271 5.172 10 0 DKAERN Cc1ccc(N[C@H](C)c2ccc(Br)s2)cc1C ZINC000038001744 182957964 /nfs/dbraw/zinc/95/79/64/182957964.db2.gz DQOSNIKNSQECID-LLVKDONJSA-N 0 0 310.260 5.301 10 0 DKAERN C[C@@H](Nc1ccc(Cl)cc1)c1ccc(Br)s1 ZINC000038001750 182957657 /nfs/dbraw/zinc/95/76/57/182957657.db2.gz MVSUAYYKOIWLGZ-MRVPVSSYSA-N 0 0 316.651 5.337 10 0 DKAERN C[C@H](Nc1ccccc1Cl)c1ccc(Br)s1 ZINC000038001757 182958158 /nfs/dbraw/zinc/95/81/58/182958158.db2.gz ZCTXWEJMPDIPNS-QMMMGPOBSA-N 0 0 316.651 5.337 10 0 DKAERN Cc1cc(C)cc(N[C@H](C)c2ccc(Br)s2)c1 ZINC000038001782 182957716 /nfs/dbraw/zinc/95/77/16/182957716.db2.gz VZMPBKYJUHBYOJ-LLVKDONJSA-N 0 0 310.260 5.301 10 0 DKAERN Cc1ccc(N[C@@H](C)c2ccc(Br)s2)cc1F ZINC000038001789 182958170 /nfs/dbraw/zinc/95/81/70/182958170.db2.gz SJTKXQBYQFDIGT-VIFPVBQESA-N 0 0 314.223 5.131 10 0 DKAERN Cc1cccc(N[C@H](C)c2ccc(Br)s2)c1C ZINC000038001816 182959026 /nfs/dbraw/zinc/95/90/26/182959026.db2.gz PMJPAHFINZXGBH-LLVKDONJSA-N 0 0 310.260 5.301 10 0 DKAERN CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)NC ZINC000038146601 182994026 /nfs/dbraw/zinc/99/40/26/182994026.db2.gz HTAWYBRCXMQDBL-JWDLLYTKSA-N 0 0 317.517 5.878 10 0 DKAERN COC(=O)CCCCCCC/C=C\CCCCCCCCO ZINC000038277858 337381939 /nfs/dbraw/zinc/38/19/39/337381939.db2.gz SPVJKPBJLRNLPI-IHWYPQMZSA-N 0 0 312.494 5.169 10 0 DKAERN OC(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000038927882 183012930 /nfs/dbraw/zinc/01/29/30/183012930.db2.gz SHVDIJYNBCQGTK-UHFFFAOYSA-N 0 0 322.018 5.382 10 0 DKAERN CC(C)(C)C1CCC(O)(C2(Sc3ccccc3)CC2)CC1 ZINC000038958375 183013607 /nfs/dbraw/zinc/01/36/07/183013607.db2.gz CSGQZIJGKDVCKI-UHFFFAOYSA-N 0 0 304.499 5.279 10 0 DKAERN c1csc(-c2ccc(-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000038983444 183013470 /nfs/dbraw/zinc/01/34/70/183013470.db2.gz LXJKDPQYLCTDNK-UHFFFAOYSA-N 0 0 318.466 6.811 10 0 DKAERN CCCC[C@@H](CC)[C@@]1(CCCC)Sc2ccccc2N1C ZINC000039118989 183013920 /nfs/dbraw/zinc/01/39/20/183013920.db2.gz UXHOUQUONLJVSN-VQIMIIECSA-N 0 0 305.531 6.331 10 0 DKAERN CCCC[C@H](CC)[C@@]1(CCCC)Sc2ccccc2N1C ZINC000039118991 183014044 /nfs/dbraw/zinc/01/40/44/183014044.db2.gz UXHOUQUONLJVSN-QFBILLFUSA-N 0 0 305.531 6.331 10 0 DKAERN CCCC[C@@H](CC)[C@]1(CCCC)Sc2ccccc2N1C ZINC000039118993 183014377 /nfs/dbraw/zinc/01/43/77/183014377.db2.gz UXHOUQUONLJVSN-APWZRJJASA-N 0 0 305.531 6.331 10 0 DKAERN CCCC[C@H](CC)[C@]1(CCCC)Sc2ccccc2N1C ZINC000039118994 183013990 /nfs/dbraw/zinc/01/39/90/183013990.db2.gz UXHOUQUONLJVSN-LPHOPBHVSA-N 0 0 305.531 6.331 10 0 DKAERN O=c1c2ccccc2oc(-c2ccccc2)c1Nc1ccccc1 ZINC000039119529 183013964 /nfs/dbraw/zinc/01/39/64/183013964.db2.gz PNNHWGGHQVTWGN-UHFFFAOYSA-N 0 0 313.356 5.204 10 0 DKAERN c1ccc(C2=NN(c3ccccc3)C3(CCCCC3)S2)cc1 ZINC000039130344 183014380 /nfs/dbraw/zinc/01/43/80/183014380.db2.gz FGIBJDSGWHGNPY-UHFFFAOYSA-N 0 0 308.450 5.262 10 0 DKAERN c1cc(N2CCCC2)ccc1SC12CC3CC(CC(C3)C1)C2 ZINC000039239940 183015786 /nfs/dbraw/zinc/01/57/86/183015786.db2.gz YNQQHDQCICDXEZ-UHFFFAOYSA-N 0 0 313.510 5.348 10 0 DKAERN Nc1cc(Cl)c(Cl)cc1Oc1ccc(Cl)cc1Cl ZINC000039247767 183015689 /nfs/dbraw/zinc/01/56/89/183015689.db2.gz MXRQOWDVBFCQFE-UHFFFAOYSA-N 0 0 323.006 5.675 10 0 DKAERN Nc1ccc(Cl)c(Cl)c1Oc1ccc(Cl)cc1Cl ZINC000039247768 183015780 /nfs/dbraw/zinc/01/57/80/183015780.db2.gz FBKYLAMKQVOXMT-UHFFFAOYSA-N 0 0 323.006 5.675 10 0 DKAERN c1ccc(-c2ccccc2Nc2ccccc2-c2ccccc2)cc1 ZINC000039471066 183019157 /nfs/dbraw/zinc/01/91/57/183019157.db2.gz ITNNICHZQFUBFC-UHFFFAOYSA-N 0 0 321.423 6.764 10 0 DKAERN C=CC1=C(Cl)/C(=C/C=C2\N(C)c3ccccc3C2(C)C)CC1 ZINC000039946277 183023008 /nfs/dbraw/zinc/02/30/08/183023008.db2.gz QOWHOFCKSQSQOY-MNPLYOLFSA-N 0 0 311.856 5.697 10 0 DKAERN CCC[C@@H]1CC[C@@H]2C[C@H](OC(=O)c3ccc(F)cc3)CC[C@@H]2C1 ZINC000039960531 183025270 /nfs/dbraw/zinc/02/52/70/183025270.db2.gz AXJJCCUOTMQPRW-KLICCBINSA-N 0 0 318.432 5.368 10 0 DKAERN Fc1cccc2c(Nc3ccccc3C(F)(F)F)ccnc12 ZINC000039963732 183026050 /nfs/dbraw/zinc/02/60/50/183026050.db2.gz DLNCEOUUQRUVBG-UHFFFAOYSA-N 0 0 306.262 5.136 10 0 DKAERN Fc1cccc2c(Nc3cccc(C(F)(F)F)c3)ccnc12 ZINC000039963736 183025648 /nfs/dbraw/zinc/02/56/48/183025648.db2.gz RHSMTENUFRTSFF-UHFFFAOYSA-N 0 0 306.262 5.136 10 0 DKAERN Clc1cccc2c(Nc3cccc4ccccc43)ccnc12 ZINC000039963771 183025844 /nfs/dbraw/zinc/02/58/44/183025844.db2.gz QGMOBCWBVKMYLH-UHFFFAOYSA-N 0 0 304.780 5.785 10 0 DKAERN Cc1cc(Cl)ccc1Nc1ccnc2c(Cl)cccc12 ZINC000039963778 183025768 /nfs/dbraw/zinc/02/57/68/183025768.db2.gz ODJQLVUJOCIGFW-UHFFFAOYSA-N 0 0 303.192 5.594 10 0 DKAERN Cc1c(Cl)cccc1Nc1ccnc2c(Cl)cccc12 ZINC000039963793 183026127 /nfs/dbraw/zinc/02/61/27/183026127.db2.gz LYMFYKGFECIDOE-UHFFFAOYSA-N 0 0 303.192 5.594 10 0 DKAERN FC(F)(F)c1ccccc1Nc1ccnc2c(Cl)cccc12 ZINC000039963794 183025785 /nfs/dbraw/zinc/02/57/85/183025785.db2.gz DVOZSWJOGMUDRL-UHFFFAOYSA-N 0 0 322.717 5.651 10 0 DKAERN FC(F)(F)c1cccc(Nc2ccnc3c(Cl)cccc23)c1 ZINC000039963796 183025656 /nfs/dbraw/zinc/02/56/56/183025656.db2.gz LFTFLFBOWXFHLQ-UHFFFAOYSA-N 0 0 322.717 5.651 10 0 DKAERN Cc1ccc(Nc2ccnc3c2cccc3C(F)(F)F)cc1 ZINC000039963821 183025627 /nfs/dbraw/zinc/02/56/27/183025627.db2.gz ALORTHXHSKPGSU-UHFFFAOYSA-N 0 0 302.299 5.306 10 0 DKAERN COc1ccc(Nc2ccnc3c2cccc3C(F)(F)F)cc1 ZINC000039963823 183025869 /nfs/dbraw/zinc/02/58/69/183025869.db2.gz TYZUUSJNDNXBQO-UHFFFAOYSA-N 0 0 318.298 5.006 10 0 DKAERN COc1ccccc1Nc1ccnc2c1cccc2C(F)(F)F ZINC000039963825 183025929 /nfs/dbraw/zinc/02/59/29/183025929.db2.gz KZAMRLZRJPIKPS-UHFFFAOYSA-N 0 0 318.298 5.006 10 0 DKAERN Cc1ccccc1Nc1ccnc2c1cccc2C(F)(F)F ZINC000039963830 183025956 /nfs/dbraw/zinc/02/59/56/183025956.db2.gz DBCQBNJIOYCFGH-UHFFFAOYSA-N 0 0 302.299 5.306 10 0 DKAERN FC(F)(F)c1cccc2c(Nc3ccccc3Cl)ccnc21 ZINC000039963833 183026052 /nfs/dbraw/zinc/02/60/52/183026052.db2.gz NIBZPWRWMRWDQD-UHFFFAOYSA-N 0 0 322.717 5.651 10 0 DKAERN FC(F)(F)c1cccc2c(Nc3cccc(Cl)c3)ccnc21 ZINC000039963837 183025663 /nfs/dbraw/zinc/02/56/63/183025663.db2.gz CTHDXLKYDCTUAV-UHFFFAOYSA-N 0 0 322.717 5.651 10 0 DKAERN Cc1cccc(Nc2ccnc3c2cccc3C(F)(F)F)c1 ZINC000039963838 183025758 /nfs/dbraw/zinc/02/57/58/183025758.db2.gz NRJHGXDCPOHBMA-UHFFFAOYSA-N 0 0 302.299 5.306 10 0 DKAERN Cc1cc(C)cc(Nc2ccnc3c2cccc3C(F)(F)F)c1 ZINC000039963839 183026178 /nfs/dbraw/zinc/02/61/78/183026178.db2.gz SWEBYKRSDQTCSP-UHFFFAOYSA-N 0 0 316.326 5.614 10 0 DKAERN Fc1ccccc1Nc1ccnc2c1cccc2C(F)(F)F ZINC000039963843 183026141 /nfs/dbraw/zinc/02/61/41/183026141.db2.gz BOHOCGOTXHZTIX-UHFFFAOYSA-N 0 0 306.262 5.136 10 0 DKAERN Fc1ccc(Nc2ccnc3c2cccc3C(F)(F)F)c(F)c1 ZINC000039963844 183026148 /nfs/dbraw/zinc/02/61/48/183026148.db2.gz YQPFVTYIYANYMD-UHFFFAOYSA-N 0 0 324.252 5.275 10 0 DKAERN Fc1ccc(Nc2ccnc3c2cccc3C(F)(F)F)cc1 ZINC000039963845 183026062 /nfs/dbraw/zinc/02/60/62/183026062.db2.gz OOYZNUIULDCNNV-UHFFFAOYSA-N 0 0 306.262 5.136 10 0 DKAERN COc1cccc(Nc2ccnc3c2cccc3C(F)(F)F)c1 ZINC000039963846 183026071 /nfs/dbraw/zinc/02/60/71/183026071.db2.gz BMHZDDUWUNBOEW-UHFFFAOYSA-N 0 0 318.298 5.006 10 0 DKAERN CCc1ccccc1Nc1ccnc2c1cccc2C(F)(F)F ZINC000039963847 183025710 /nfs/dbraw/zinc/02/57/10/183025710.db2.gz WUCIELHCLOEQBH-UHFFFAOYSA-N 0 0 316.326 5.560 10 0 DKAERN Cc1cccc(Nc2ccnc3c2cccc3C(F)(F)F)c1C ZINC000039963849 183025638 /nfs/dbraw/zinc/02/56/38/183025638.db2.gz PMYVDKJCLSJILO-UHFFFAOYSA-N 0 0 316.326 5.614 10 0 DKAERN Cc1ccc(Nc2ccnc3c2cccc3C(F)(F)F)c(C)c1 ZINC000039963852 183026111 /nfs/dbraw/zinc/02/61/11/183026111.db2.gz JIFHIIQZGMGVAV-UHFFFAOYSA-N 0 0 316.326 5.614 10 0 DKAERN Fc1cc(F)cc(Nc2ccnc3c2cccc3C(F)(F)F)c1 ZINC000039963869 183025658 /nfs/dbraw/zinc/02/56/58/183025658.db2.gz PORVKHNYAQLPSF-UHFFFAOYSA-N 0 0 324.252 5.275 10 0 DKAERN FC(F)(F)c1cccc2c(Nc3ccc(Cl)cc3)ccnc21 ZINC000039963871 183025735 /nfs/dbraw/zinc/02/57/35/183025735.db2.gz REVMZBSHAKBWJO-UHFFFAOYSA-N 0 0 322.717 5.651 10 0 DKAERN CCc1ccc2oc(C(=O)Nc3cccc(Cl)c3)c(C)c2c1 ZINC000040037307 183029292 /nfs/dbraw/zinc/02/92/92/183029292.db2.gz QDJHXUUJIBCGCS-UHFFFAOYSA-N 0 0 313.784 5.209 10 0 DKAERN CCc1ccc2oc(C(=O)Nc3ccc(Cl)cc3)c(C)c2c1 ZINC000040037308 183029056 /nfs/dbraw/zinc/02/90/56/183029056.db2.gz LHLFNDGJRPAIJP-UHFFFAOYSA-N 0 0 313.784 5.209 10 0 DKAERN CCc1ccc2oc(C(=O)Nc3ccc(C)cc3C)c(C)c2c1 ZINC000040037313 183028604 /nfs/dbraw/zinc/02/86/04/183028604.db2.gz NSCFOUCYXZRDKG-UHFFFAOYSA-N 0 0 307.393 5.173 10 0 DKAERN CCc1ccc2oc(C(=O)Nc3cc(C)ccc3C)c(C)c2c1 ZINC000040037314 183028620 /nfs/dbraw/zinc/02/86/20/183028620.db2.gz XCDKZMMNVRFXLG-UHFFFAOYSA-N 0 0 307.393 5.173 10 0 DKAERN CCc1ccc2oc(C(=O)Nc3ccc(C)c(C)c3)c(C)c2c1 ZINC000040037315 183028931 /nfs/dbraw/zinc/02/89/31/183028931.db2.gz QHADGUOXAKTNFU-UHFFFAOYSA-N 0 0 307.393 5.173 10 0 DKAERN CCc1ccc(NC(=O)c2oc3ccc(CC)cc3c2C)cc1 ZINC000040037335 183028780 /nfs/dbraw/zinc/02/87/80/183028780.db2.gz FTUWFJKXFSQQIW-UHFFFAOYSA-N 0 0 307.393 5.118 10 0 DKAERN CCCCC1CCC(C(=O)Nc2ccc(OCC)cc2)CC1 ZINC000040037772 183028913 /nfs/dbraw/zinc/02/89/13/183028913.db2.gz PTCHQQKSOSBGEG-UHFFFAOYSA-N 0 0 303.446 5.020 10 0 DKAERN CCCCC1CCC(C(=O)Nc2ccc(OC)c(Cl)c2)CC1 ZINC000040037790 183028726 /nfs/dbraw/zinc/02/87/26/183028726.db2.gz PFWAAIXMTPHDCE-UHFFFAOYSA-N 0 0 323.864 5.284 10 0 DKAERN CCCCC1CCC(C(=O)Nc2ccccc2OCC)CC1 ZINC000040037791 183029478 /nfs/dbraw/zinc/02/94/78/183029478.db2.gz SKMHZULXWPDVRH-UHFFFAOYSA-N 0 0 303.446 5.020 10 0 DKAERN CCCCC1CCC(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000040037792 183029402 /nfs/dbraw/zinc/02/94/02/183029402.db2.gz BMQJTEUAVNJDNK-UHFFFAOYSA-N 0 0 307.865 5.584 10 0 DKAERN CCCCC1CCC(C(=O)Nc2cccc(Cl)c2C)CC1 ZINC000040037794 183029212 /nfs/dbraw/zinc/02/92/12/183029212.db2.gz GPQZZSZNUWMEPH-UHFFFAOYSA-N 0 0 307.865 5.584 10 0 DKAERN CCCCC1CCC(C(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000040037795 183029323 /nfs/dbraw/zinc/02/93/23/183029323.db2.gz BKYWYKYWGUKYRE-UHFFFAOYSA-N 0 0 323.864 5.284 10 0 DKAERN Clc1cccc(Cl)c1CSc1ccc2ccccc2n1 ZINC000040165955 183042589 /nfs/dbraw/zinc/04/25/89/183042589.db2.gz USYMOFTZKDKXQP-UHFFFAOYSA-N 0 0 320.244 5.834 10 0 DKAERN c1ccc2nc(SCc3cccc4ccccc43)ccc2c1 ZINC000040165962 183042398 /nfs/dbraw/zinc/04/23/98/183042398.db2.gz YTVOTYBCHCXZER-UHFFFAOYSA-N 0 0 301.414 5.680 10 0 DKAERN Fc1cccc(Cl)c1CSc1ccc2ccccc2n1 ZINC000040165963 183042642 /nfs/dbraw/zinc/04/26/42/183042642.db2.gz HCIYMWHSLLGGNF-UHFFFAOYSA-N 0 0 303.789 5.320 10 0 DKAERN Clc1ccc(CSc2ccc3ccccc3n2)cc1Cl ZINC000040165966 183043023 /nfs/dbraw/zinc/04/30/23/183043023.db2.gz HFBRFBRFJQDQSJ-UHFFFAOYSA-N 0 0 320.244 5.834 10 0 DKAERN Clc1ccc(OCCSc2ccc3ccccc3n2)cc1 ZINC000040166016 183042759 /nfs/dbraw/zinc/04/27/59/183042759.db2.gz RDWKRGCKJTYUSK-UHFFFAOYSA-N 0 0 315.825 5.059 10 0 DKAERN Cc1cc(SCc2c(F)cccc2Cl)nc2ccccc12 ZINC000040166022 183042665 /nfs/dbraw/zinc/04/26/65/183042665.db2.gz JSEYFPQIYOKTCW-UHFFFAOYSA-N 0 0 317.816 5.628 10 0 DKAERN Cc1cccc2c(C)cc(SCc3cccc(Cl)c3)nc12 ZINC000040167061 183043027 /nfs/dbraw/zinc/04/30/27/183043027.db2.gz BNPUFFABBYTYCF-UHFFFAOYSA-N 0 0 313.853 5.797 10 0 DKAERN Cc1cccc2c(C)cc(SCc3ccccc3Cl)nc12 ZINC000040167064 183042802 /nfs/dbraw/zinc/04/28/02/183042802.db2.gz PXUJDHDHFBTPGA-UHFFFAOYSA-N 0 0 313.853 5.797 10 0 DKAERN Cc1cccc2c(C)cc(SCc3ccc(Cl)cc3)nc12 ZINC000040167066 183042915 /nfs/dbraw/zinc/04/29/15/183042915.db2.gz GKUGBFMXARCORQ-UHFFFAOYSA-N 0 0 313.853 5.797 10 0 DKAERN Cc1ccc(CSc2cc(C)c3cc(C)cc(C)c3n2)cc1 ZINC000040167157 183042675 /nfs/dbraw/zinc/04/26/75/183042675.db2.gz IKQGLTWVLJQUHB-UHFFFAOYSA-N 0 0 307.462 5.761 10 0 DKAERN Cc1cc(C)c2nc(SCc3ccccc3F)cc(C)c2c1 ZINC000040167166 183043343 /nfs/dbraw/zinc/04/33/43/183043343.db2.gz BMLIIRTZULPXNN-UHFFFAOYSA-N 0 0 311.425 5.591 10 0 DKAERN Cc1cc(C)c2nc(SCc3ccccc3C)cc(C)c2c1 ZINC000040167168 183043463 /nfs/dbraw/zinc/04/34/63/183043463.db2.gz PXJQBHASDYLWSS-UHFFFAOYSA-N 0 0 307.462 5.761 10 0 DKAERN Cc1cc(C)c2nc(SCCc3ccccc3)cc(C)c2c1 ZINC000040167170 183043362 /nfs/dbraw/zinc/04/33/62/183043362.db2.gz UVPMMODCXBXYGG-UHFFFAOYSA-N 0 0 307.462 5.495 10 0 DKAERN Cc1cccc(CSc2cc(C)c3cc(C)cc(C)c3n2)c1 ZINC000040167174 183043356 /nfs/dbraw/zinc/04/33/56/183043356.db2.gz BXXZWJHDXPFVOD-UHFFFAOYSA-N 0 0 307.462 5.761 10 0 DKAERN Cc1cc(C)c2nc(SCc3ccc(F)cc3)cc(C)c2c1 ZINC000040167176 183043199 /nfs/dbraw/zinc/04/31/99/183043199.db2.gz WUKNRJXPLIZIQM-UHFFFAOYSA-N 0 0 311.425 5.591 10 0 DKAERN COc1cccc2c(C)cc(SCc3ccc(C)cc3)nc12 ZINC000040167349 183043560 /nfs/dbraw/zinc/04/35/60/183043560.db2.gz RKKJOSGTMLBJHA-UHFFFAOYSA-N 0 0 309.434 5.153 10 0 DKAERN COc1cccc2c(C)cc(SCc3ccccc3C)nc12 ZINC000040167369 183043328 /nfs/dbraw/zinc/04/33/28/183043328.db2.gz HPIPDVUOPFCKPX-UHFFFAOYSA-N 0 0 309.434 5.153 10 0 DKAERN COc1cccc2c(C)cc(SCc3cccc(C)c3)nc12 ZINC000040167377 183043087 /nfs/dbraw/zinc/04/30/87/183043087.db2.gz YRCDFCDIRBMPSX-UHFFFAOYSA-N 0 0 309.434 5.153 10 0 DKAERN Cc1cc(C)c2nc(C)cc(NC(=O)CC3CCCCC3)c2c1 ZINC000040177053 183044377 /nfs/dbraw/zinc/04/43/77/183044377.db2.gz DVTVOWMRNTUTGJ-UHFFFAOYSA-N 0 0 310.441 5.069 10 0 DKAERN Cc1cc(C)c2nc(C)cc(NC(=O)CCC3CCCCC3)c2c1 ZINC000040177057 183044415 /nfs/dbraw/zinc/04/44/15/183044415.db2.gz VDCGLLIQGZEIIQ-UHFFFAOYSA-N 0 0 324.468 5.459 10 0 DKAERN Cc1cc(C)c2nc(C)cc(NC(=O)c3ccc(Cl)cc3)c2c1 ZINC000040177064 183044402 /nfs/dbraw/zinc/04/44/02/183044402.db2.gz BXSNXMRXDPXFRF-UHFFFAOYSA-N 0 0 324.811 5.066 10 0 DKAERN Cc1cc(C)c2nc(C)cc(NC(=O)c3cccc(Cl)c3)c2c1 ZINC000040177073 183043874 /nfs/dbraw/zinc/04/38/74/183043874.db2.gz QZYKGKANXOSLHI-UHFFFAOYSA-N 0 0 324.811 5.066 10 0 DKAERN Cc1cc(C)c2nc(C)cc(NC(=O)c3ccc(C)c(C)c3)c2c1 ZINC000040177100 183044438 /nfs/dbraw/zinc/04/44/38/183044438.db2.gz MRPMFTWFPLACAX-UHFFFAOYSA-N 0 0 318.420 5.029 10 0 DKAERN Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccc(C)c(C)c1 ZINC000040178594 183043980 /nfs/dbraw/zinc/04/39/80/183043980.db2.gz FHIKAOCLWVPAMY-UHFFFAOYSA-N 0 0 305.377 5.124 10 0 DKAERN Cc1oc(-c2ccccc2)cc1C(=O)Nc1cc(C)ccc1C ZINC000040178595 183044383 /nfs/dbraw/zinc/04/43/83/183044383.db2.gz RIGGUIQXHCHUBI-UHFFFAOYSA-N 0 0 305.377 5.124 10 0 DKAERN Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccc(C)cc1C ZINC000040178596 183044323 /nfs/dbraw/zinc/04/43/23/183044323.db2.gz FKPGOPYNTWZHQB-UHFFFAOYSA-N 0 0 305.377 5.124 10 0 DKAERN Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccc(Cl)cc1 ZINC000040178600 183044544 /nfs/dbraw/zinc/04/45/44/183044544.db2.gz JDOXNSYEVOZXQE-UHFFFAOYSA-N 0 0 311.768 5.161 10 0 DKAERN Cc1oc(-c2ccccc2)cc1C(=O)Nc1cccc(Cl)c1 ZINC000040178601 183043866 /nfs/dbraw/zinc/04/38/66/183043866.db2.gz RGKNNIKILWPFBA-UHFFFAOYSA-N 0 0 311.768 5.161 10 0 DKAERN CCc1ccc(NC(=O)c2cc(-c3ccccc3)oc2C)cc1 ZINC000040178608 183044499 /nfs/dbraw/zinc/04/44/99/183044499.db2.gz POWLSPRVVWYOKL-UHFFFAOYSA-N 0 0 305.377 5.070 10 0 DKAERN Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000040178609 183043916 /nfs/dbraw/zinc/04/39/16/183043916.db2.gz ZOXJKDQTXDUTLD-UHFFFAOYSA-N 0 0 319.404 5.631 10 0 DKAERN Cc1oc(-c2ccccc2)cc1C(=O)Nc1cc(C)cc(C)c1 ZINC000040178612 183043872 /nfs/dbraw/zinc/04/38/72/183043872.db2.gz ZAWIXGFZCDRFHR-UHFFFAOYSA-N 0 0 305.377 5.124 10 0 DKAERN CCc1ccccc1NC(=O)c1cc(-c2ccccc2)oc1C ZINC000040178617 183044527 /nfs/dbraw/zinc/04/45/27/183044527.db2.gz COCIXOASLFEBEK-UHFFFAOYSA-N 0 0 305.377 5.070 10 0 DKAERN Cc1oc(-c2ccccc2)cc1C(=O)Nc1cccc(C)c1C ZINC000040178642 183044337 /nfs/dbraw/zinc/04/43/37/183044337.db2.gz TUVRKSCWABBSQT-UHFFFAOYSA-N 0 0 305.377 5.124 10 0 DKAERN CCc1cccc(C)c1NC(=O)c1cc(-c2ccccc2)oc1C ZINC000040178656 183044235 /nfs/dbraw/zinc/04/42/35/183044235.db2.gz FNNBNUCPPMDYDF-UHFFFAOYSA-N 0 0 319.404 5.378 10 0 DKAERN Cc1oc(-c2ccc(C)cc2)cc1C(=O)Nc1ccc(C)cc1 ZINC000040178686 183044092 /nfs/dbraw/zinc/04/40/92/183044092.db2.gz TUQXNRZOLZAJEP-UHFFFAOYSA-N 0 0 305.377 5.124 10 0 DKAERN Cc1oc(-c2ccc(C)cc2)cc1C(=O)Nc1cccc(C)c1 ZINC000040178687 183044188 /nfs/dbraw/zinc/04/41/88/183044188.db2.gz ZYZQIJILWHKBIH-UHFFFAOYSA-N 0 0 305.377 5.124 10 0 DKAERN Cc1oc(-c2ccc(C)cc2)cc1C(=O)Nc1ccccc1C ZINC000040178688 183044515 /nfs/dbraw/zinc/04/45/15/183044515.db2.gz LFRWCBFLZLJLHC-UHFFFAOYSA-N 0 0 305.377 5.124 10 0 DKAERN Cc1oc(-c2ccc(C)cc2)cc1C(=O)Nc1ccc(C)c(C)c1 ZINC000040178694 183044236 /nfs/dbraw/zinc/04/42/36/183044236.db2.gz ZRGBFJZPDZRGNK-UHFFFAOYSA-N 0 0 319.404 5.433 10 0 DKAERN Cc1oc(-c2ccc(C)cc2)cc1C(=O)Nc1cc(C)ccc1C ZINC000040178695 183044424 /nfs/dbraw/zinc/04/44/24/183044424.db2.gz VXBXGRVQSZBMRR-UHFFFAOYSA-N 0 0 319.404 5.433 10 0 DKAERN Cc1oc(-c2ccc(C)cc2)cc1C(=O)Nc1ccc(C)cc1C ZINC000040178696 183044243 /nfs/dbraw/zinc/04/42/43/183044243.db2.gz BGIIEEWGBFZGNG-UHFFFAOYSA-N 0 0 319.404 5.433 10 0 DKAERN CCc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)oc2C)cc1 ZINC000040178713 183044231 /nfs/dbraw/zinc/04/42/31/183044231.db2.gz PPFBNCKSXPCSEN-UHFFFAOYSA-N 0 0 319.404 5.378 10 0 DKAERN Cc1oc(-c2ccc(C)cc2)cc1C(=O)Nc1cc(C)cc(C)c1 ZINC000040178719 183043935 /nfs/dbraw/zinc/04/39/35/183043935.db2.gz UMVVXXINMPRMCB-UHFFFAOYSA-N 0 0 319.404 5.433 10 0 DKAERN CCc1ccccc1NC(=O)c1cc(-c2ccc(C)cc2)oc1C ZINC000040178725 183043985 /nfs/dbraw/zinc/04/39/85/183043985.db2.gz ANWQDEWNZOQKGF-UHFFFAOYSA-N 0 0 319.404 5.378 10 0 DKAERN Cc1oc(-c2ccc(C)cc2)cc1C(=O)Nc1cccc(C)c1C ZINC000040178754 183043891 /nfs/dbraw/zinc/04/38/91/183043891.db2.gz JQCPVYTYLUSNAZ-UHFFFAOYSA-N 0 0 319.404 5.433 10 0 DKAERN Cc1oc(-c2ccc(C)cc2)cc1C(=O)Nc1c(C)cccc1C ZINC000040178773 183044450 /nfs/dbraw/zinc/04/44/50/183044450.db2.gz DFOQBUPFMUBYIZ-UHFFFAOYSA-N 0 0 319.404 5.433 10 0 DKAERN Cc1oc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc(C)c(C)c1 ZINC000040178804 183044329 /nfs/dbraw/zinc/04/43/29/183044329.db2.gz BXRYWYGLXITIHN-UHFFFAOYSA-N 0 0 323.367 5.263 10 0 DKAERN Cc1oc(-c2ccc(F)cc2)cc1C(=O)Nc1cc(C)ccc1C ZINC000040178805 183044400 /nfs/dbraw/zinc/04/44/00/183044400.db2.gz YYHXULSAHVXPNZ-UHFFFAOYSA-N 0 0 323.367 5.263 10 0 DKAERN Cc1oc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc(C)cc1C ZINC000040178806 183044522 /nfs/dbraw/zinc/04/45/22/183044522.db2.gz PCOCQDDWTSHYBK-UHFFFAOYSA-N 0 0 323.367 5.263 10 0 DKAERN CCc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)oc2C)cc1 ZINC000040178823 183043869 /nfs/dbraw/zinc/04/38/69/183043869.db2.gz GEQSVUSXRMAKNR-UHFFFAOYSA-N 0 0 323.367 5.209 10 0 DKAERN Cc1oc(-c2ccc(F)cc2)cc1C(=O)Nc1cc(C)cc(C)c1 ZINC000040178829 183044371 /nfs/dbraw/zinc/04/43/71/183044371.db2.gz GHKSYOKCQYZSFS-UHFFFAOYSA-N 0 0 323.367 5.263 10 0 DKAERN CCc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)oc1C ZINC000040178833 183044027 /nfs/dbraw/zinc/04/40/27/183044027.db2.gz UBOQARPYEJASOG-UHFFFAOYSA-N 0 0 323.367 5.209 10 0 DKAERN Cc1oc(-c2ccc(F)cc2)cc1C(=O)Nc1cccc(C)c1C ZINC000040178856 183044097 /nfs/dbraw/zinc/04/40/97/183044097.db2.gz UFLQJHIZABXKJB-UHFFFAOYSA-N 0 0 323.367 5.263 10 0 DKAERN Cc1oc(-c2ccc(F)cc2)cc1C(=O)Nc1c(C)cccc1C ZINC000040178873 183044050 /nfs/dbraw/zinc/04/40/50/183044050.db2.gz MPOCZJCIJBHDEQ-UHFFFAOYSA-N 0 0 323.367 5.263 10 0 DKAERN Cc1cccc(Oc2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC000040178899 183044121 /nfs/dbraw/zinc/04/41/21/183044121.db2.gz KFFITASSKJJLLH-UHFFFAOYSA-N 0 0 303.361 5.040 10 0 DKAERN Cc1ccc(NC(=O)c2ccc(Oc3cccc(C)c3)cc2)cc1 ZINC000040178900 183044112 /nfs/dbraw/zinc/04/41/12/183044112.db2.gz PFRDBPGWGDVAQX-UHFFFAOYSA-N 0 0 317.388 5.348 10 0 DKAERN Cc1cccc(NC(=O)c2ccc(Oc3cccc(C)c3)cc2)c1 ZINC000040178901 183044307 /nfs/dbraw/zinc/04/43/07/183044307.db2.gz PGDIPLQBFRQUAE-UHFFFAOYSA-N 0 0 317.388 5.348 10 0 DKAERN Cc1cccc(Oc2ccc(C(=O)Nc3ccccc3C)cc2)c1 ZINC000040178902 183044358 /nfs/dbraw/zinc/04/43/58/183044358.db2.gz WJESXCSWQLDEDE-UHFFFAOYSA-N 0 0 317.388 5.348 10 0 DKAERN Cc1cccc(Oc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c1 ZINC000040178915 183044526 /nfs/dbraw/zinc/04/45/26/183044526.db2.gz WKNQSZOWTFWBMQ-UHFFFAOYSA-N 0 0 321.351 5.179 10 0 DKAERN Cc1cccc(Oc2ccc(C(=O)Nc3ccccc3F)cc2)c1 ZINC000040178918 183044213 /nfs/dbraw/zinc/04/42/13/183044213.db2.gz FENOAXPPUZHXAI-UHFFFAOYSA-N 0 0 321.351 5.179 10 0 DKAERN Cc1cccc(Oc2ccc(C(=O)Nc3cccc(F)c3)cc2)c1 ZINC000040178919 183044324 /nfs/dbraw/zinc/04/43/24/183044324.db2.gz QBSIFIDPSHETNU-UHFFFAOYSA-N 0 0 321.351 5.179 10 0 DKAERN Cc1cccc(Oc2ccc(C(=O)N(C)c3ccccc3)cc2)c1 ZINC000040178970 183044253 /nfs/dbraw/zinc/04/42/53/183044253.db2.gz RRLMKCHWGALRGN-UHFFFAOYSA-N 0 0 317.388 5.064 10 0 DKAERN Cc1ccc(Oc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000040178999 183044454 /nfs/dbraw/zinc/04/44/54/183044454.db2.gz QJBYOKDULFYXPI-UHFFFAOYSA-N 0 0 303.361 5.040 10 0 DKAERN Cc1ccc(NC(=O)c2ccc(Oc3ccc(C)cc3)cc2)cc1 ZINC000040179000 183044463 /nfs/dbraw/zinc/04/44/63/183044463.db2.gz FPLLCWNFWWCRJY-UHFFFAOYSA-N 0 0 317.388 5.348 10 0 DKAERN Cc1ccc(Oc2ccc(C(=O)Nc3cccc(C)c3)cc2)cc1 ZINC000040179001 183044152 /nfs/dbraw/zinc/04/41/52/183044152.db2.gz ATXHVFPZDCUGLY-UHFFFAOYSA-N 0 0 317.388 5.348 10 0 DKAERN Cc1ccc(Oc2ccc(C(=O)Nc3ccccc3C)cc2)cc1 ZINC000040179002 183044262 /nfs/dbraw/zinc/04/42/62/183044262.db2.gz FQCVAMRNXNFCDI-UHFFFAOYSA-N 0 0 317.388 5.348 10 0 DKAERN Cc1ccc(Oc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1 ZINC000040179015 183043926 /nfs/dbraw/zinc/04/39/26/183043926.db2.gz WGENXBFWJFBMHN-UHFFFAOYSA-N 0 0 321.351 5.179 10 0 DKAERN Cc1ccc(Oc2ccc(C(=O)Nc3ccccc3F)cc2)cc1 ZINC000040179018 183043905 /nfs/dbraw/zinc/04/39/05/183043905.db2.gz QUVLFZXOLARHJI-UHFFFAOYSA-N 0 0 321.351 5.179 10 0 DKAERN Cc1ccc(Oc2ccc(C(=O)Nc3cccc(F)c3)cc2)cc1 ZINC000040179019 183044265 /nfs/dbraw/zinc/04/42/65/183044265.db2.gz IOJUXGWUMURVLQ-UHFFFAOYSA-N 0 0 321.351 5.179 10 0 DKAERN Cc1ccc(Oc2ccc(C(=O)N(C)c3ccccc3)cc2)cc1 ZINC000040179070 183044696 /nfs/dbraw/zinc/04/46/96/183044696.db2.gz DQLXMLZCWAYBRE-UHFFFAOYSA-N 0 0 317.388 5.064 10 0 DKAERN Cc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1C ZINC000040179496 183044664 /nfs/dbraw/zinc/04/46/64/183044664.db2.gz VDESGYKWTJLQFA-UHFFFAOYSA-N 0 0 317.388 5.348 10 0 DKAERN CCc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000040179504 183044933 /nfs/dbraw/zinc/04/49/33/183044933.db2.gz ZDLGYBJJOYAORF-UHFFFAOYSA-N 0 0 317.388 5.294 10 0 DKAERN CCn1c2ccccc2nc1C(c1ccccc1)c1ccccc1 ZINC000040210393 183045511 /nfs/dbraw/zinc/04/55/11/183045511.db2.gz YPIIDJNGVPXIAW-UHFFFAOYSA-N 0 0 312.416 5.236 10 0 DKAERN CCn1c2ccccc2nc1Cc1ccc(-c2ccccc2)cc1 ZINC000040210532 183045782 /nfs/dbraw/zinc/04/57/82/183045782.db2.gz YNEZGKIWIYRSGE-UHFFFAOYSA-N 0 0 312.416 5.314 10 0 DKAERN CCCCCCn1c2ccccc2nc1-c1ccc(C)cc1C ZINC000040210687 183045494 /nfs/dbraw/zinc/04/54/94/183045494.db2.gz WFOMGUDZYOZACY-UHFFFAOYSA-N 0 0 306.453 5.900 10 0 DKAERN Cc1ccc(-c2nc3ccccc3n2Cc2ccccc2)c(C)c1 ZINC000040210688 183045644 /nfs/dbraw/zinc/04/56/44/183045644.db2.gz VTSIOQUMFGZPIK-UHFFFAOYSA-N 0 0 312.416 5.368 10 0 DKAERN CCCn1c2ccccc2nc1-c1ccc(Cl)cc1Cl ZINC000040210840 183045797 /nfs/dbraw/zinc/04/57/97/183045797.db2.gz KNJXISRIRSZZML-UHFFFAOYSA-N 0 0 305.208 5.420 10 0 DKAERN CC(C)Cn1c2ccccc2nc1-c1ccc(Cl)cc1Cl ZINC000040210841 183045352 /nfs/dbraw/zinc/04/53/52/183045352.db2.gz KSZNTQZFSRKPIU-UHFFFAOYSA-N 0 0 319.235 5.666 10 0 DKAERN CCCCn1c2ccccc2nc1-c1ccc(Cl)cc1Cl ZINC000040210846 183045705 /nfs/dbraw/zinc/04/57/05/183045705.db2.gz DRLAGUMOQVOUQV-UHFFFAOYSA-N 0 0 319.235 5.810 10 0 DKAERN Cc1ccc(C(C)C)c(OCCn2cnc3cc(C)c(C)cc32)c1 ZINC000040224039 183046894 /nfs/dbraw/zinc/04/68/94/183046894.db2.gz DFQZPLYPONASBY-UHFFFAOYSA-N 0 0 322.452 5.164 10 0 DKAERN Cc1cc2ncn(CCOc3ccc(C(C)(C)C)cc3)c2cc1C ZINC000040224063 183046968 /nfs/dbraw/zinc/04/69/68/183046968.db2.gz ALMCFHSFARNQQQ-UHFFFAOYSA-N 0 0 322.452 5.030 10 0 DKAERN Cc1cc2ncn(CCCOc3ccc(C(C)C)cc3)c2cc1C ZINC000040224095 183047334 /nfs/dbraw/zinc/04/73/34/183047334.db2.gz YMSQUUCPNVRMEZ-UHFFFAOYSA-N 0 0 322.452 5.246 10 0 DKAERN Cc1cccc(C)c1OCCCCn1cnc2cc(C)c(C)cc21 ZINC000040224116 183047279 /nfs/dbraw/zinc/04/72/79/183047279.db2.gz HYPDPEUVIBVWOF-UHFFFAOYSA-N 0 0 322.452 5.129 10 0 DKAERN Cc1nc2ccccc2n1CCCOc1ccc(C(C)(C)C)cc1 ZINC000040224700 183046994 /nfs/dbraw/zinc/04/69/94/183046994.db2.gz OJGHWCAFKWJKFU-UHFFFAOYSA-N 0 0 322.452 5.111 10 0 DKAERN Cc1nc2ccccc2n1CCCCOc1ccc(C(C)C)cc1 ZINC000040224742 183046925 /nfs/dbraw/zinc/04/69/25/183046925.db2.gz AJBWOEJTVYYWDX-UHFFFAOYSA-N 0 0 322.452 5.327 10 0 DKAERN CC(C)CCn1c2ccccc2nc1Cc1ccccc1Cl ZINC000040225641 183047852 /nfs/dbraw/zinc/04/78/52/183047852.db2.gz KOPXCLONOROCEF-UHFFFAOYSA-N 0 0 312.844 5.327 10 0 DKAERN CCCCCn1c2ccccc2nc1Cc1ccccc1Cl ZINC000040225643 183047918 /nfs/dbraw/zinc/04/79/18/183047918.db2.gz XILVKNOWRVNWLY-UHFFFAOYSA-N 0 0 312.844 5.471 10 0 DKAERN CCCCCCn1c2ccccc2nc1Cc1ccccc1C ZINC000040226397 183047847 /nfs/dbraw/zinc/04/78/47/183047847.db2.gz MLTHAHNYHNODIU-UHFFFAOYSA-N 0 0 306.453 5.516 10 0 DKAERN CCc1nc2ccccc2n1CCOc1cc(C)ccc1C(C)C ZINC000040227347 183047672 /nfs/dbraw/zinc/04/76/72/183047672.db2.gz KLGNRAUJOPVHMQ-UHFFFAOYSA-N 0 0 322.452 5.110 10 0 DKAERN CCc1nc2ccccc2n1CCCOc1ccccc1C(C)C ZINC000040227395 183047781 /nfs/dbraw/zinc/04/77/81/183047781.db2.gz RGBDEJYYZVILNY-UHFFFAOYSA-N 0 0 322.452 5.191 10 0 DKAERN CCc1nc2ccccc2n1CCCOc1ccc(C(C)C)cc1 ZINC000040227417 183047734 /nfs/dbraw/zinc/04/77/34/183047734.db2.gz IYVWFGFWXKGPFA-UHFFFAOYSA-N 0 0 322.452 5.191 10 0 DKAERN CCc1nc2ccccc2n1CCCCOc1c(C)cccc1C ZINC000040231131 183048004 /nfs/dbraw/zinc/04/80/04/183048004.db2.gz IIGHWIIGYLFBQG-UHFFFAOYSA-N 0 0 322.452 5.075 10 0 DKAERN CCc1nc2ccccc2n1CCCCOc1cc(C)cc(C)c1 ZINC000040231151 183048116 /nfs/dbraw/zinc/04/81/16/183048116.db2.gz QBJKLPDKIRXLJA-UHFFFAOYSA-N 0 0 322.452 5.075 10 0 DKAERN CC(C)c1nc2ccccc2n1CCOc1ccccc1C(C)C ZINC000040231246 183047901 /nfs/dbraw/zinc/04/79/01/183047901.db2.gz RFKNUVKAAOFEFQ-UHFFFAOYSA-N 0 0 322.452 5.362 10 0 DKAERN CC(C)c1nc2ccccc2n1CCOc1ccc(C(C)C)cc1 ZINC000040231267 183047853 /nfs/dbraw/zinc/04/78/53/183047853.db2.gz IOGOEELGPIOVJE-UHFFFAOYSA-N 0 0 322.452 5.362 10 0 DKAERN Cc1cccc(OCCCn2c3ccccc3nc2C(C)C)c1C ZINC000040231280 183047769 /nfs/dbraw/zinc/04/77/69/183047769.db2.gz BPUGTZAXYLISOP-UHFFFAOYSA-N 0 0 322.452 5.246 10 0 DKAERN Cc1ccc(OCCCn2c3ccccc3nc2C(C)C)c(C)c1 ZINC000040231282 183047908 /nfs/dbraw/zinc/04/79/08/183047908.db2.gz MOXOXYLNFSSJQC-UHFFFAOYSA-N 0 0 322.452 5.246 10 0 DKAERN Cc1cccc(C)c1OCCCn1c2ccccc2nc1C(C)C ZINC000040231283 183047892 /nfs/dbraw/zinc/04/78/92/183047892.db2.gz AALCJINOPJDEOY-UHFFFAOYSA-N 0 0 322.452 5.246 10 0 DKAERN Cc1ccc(C)c(OCCCn2c3ccccc3nc2C(C)C)c1 ZINC000040231285 183047866 /nfs/dbraw/zinc/04/78/66/183047866.db2.gz ZJNQWOGXZCJSJK-UHFFFAOYSA-N 0 0 322.452 5.246 10 0 DKAERN Cc1cc(C)cc(OCCCn2c3ccccc3nc2C(C)C)c1 ZINC000040231303 183047862 /nfs/dbraw/zinc/04/78/62/183047862.db2.gz WLAWFSGSCARNRB-UHFFFAOYSA-N 0 0 322.452 5.246 10 0 DKAERN Cc1ccc(OCCCn2c3ccccc3nc2C(C)C)cc1C ZINC000040231309 183047894 /nfs/dbraw/zinc/04/78/94/183047894.db2.gz HGTMKDLEMUNFDJ-UHFFFAOYSA-N 0 0 322.452 5.246 10 0 DKAERN CCc1ccc(OCCCn2c3ccccc3nc2C(C)C)cc1 ZINC000040231322 183048158 /nfs/dbraw/zinc/04/81/58/183048158.db2.gz NVOXGUDMISOKCU-UHFFFAOYSA-N 0 0 322.452 5.191 10 0 DKAERN CC(C)c1nc2ccccc2n1CCCCOc1ccccc1 ZINC000040231326 183047788 /nfs/dbraw/zinc/04/77/88/183047788.db2.gz PZQROYWCNMTYHM-UHFFFAOYSA-N 0 0 308.425 5.019 10 0 DKAERN COc1ccc(Cn2c3ccccc3nc2C2CCCCC2)cc1 ZINC000040231434 183048390 /nfs/dbraw/zinc/04/83/90/183048390.db2.gz OEKULKYMMKUTGV-UHFFFAOYSA-N 0 0 320.436 5.141 10 0 DKAERN COc1ccccc1Cn1c2ccccc2nc1C1CCCCC1 ZINC000040231439 183048801 /nfs/dbraw/zinc/04/88/01/183048801.db2.gz PSVYFBUWGDLWTC-UHFFFAOYSA-N 0 0 320.436 5.141 10 0 DKAERN CC(C)c1ccc(OCCn2c3ccccc3nc2C2CC2)cc1 ZINC000040231617 183048811 /nfs/dbraw/zinc/04/88/11/183048811.db2.gz VKJQVPPJJWWXRG-UHFFFAOYSA-N 0 0 320.436 5.116 10 0 DKAERN Cc1cc(C)c(Cn2c3ccccc3nc2C(F)(F)F)c(C)c1 ZINC000040231760 183048898 /nfs/dbraw/zinc/04/88/98/183048898.db2.gz ODVKXWARVMQLSZ-UHFFFAOYSA-N 0 0 318.342 5.029 10 0 DKAERN CC(C)c1ccc(Cn2c3ccccc3nc2C(F)(F)F)cc1 ZINC000040231772 183048821 /nfs/dbraw/zinc/04/88/21/183048821.db2.gz DXBNKDFWLFOJAL-UHFFFAOYSA-N 0 0 318.342 5.227 10 0 DKAERN CCCCn1c(COc2ccccc2Cl)nc2ccccc21 ZINC000040232835 183048644 /nfs/dbraw/zinc/04/86/44/183048644.db2.gz GTHJHBWQDKEQRB-UHFFFAOYSA-N 0 0 314.816 5.069 10 0 DKAERN CCCCCn1c(COc2cccc(C)c2)nc2ccccc21 ZINC000040233998 183048375 /nfs/dbraw/zinc/04/83/75/183048375.db2.gz GIVYWTPOUUWACI-UHFFFAOYSA-N 0 0 308.425 5.114 10 0 DKAERN CCc1ccc(OCc2nc3ccccc3n2CCC(C)C)cc1 ZINC000040234983 183048489 /nfs/dbraw/zinc/04/84/89/183048489.db2.gz SIMAHEDEFDZLGA-UHFFFAOYSA-N 0 0 322.452 5.224 10 0 DKAERN CCCCCn1c(COc2ccc(CC)cc2)nc2ccccc21 ZINC000040234985 183048833 /nfs/dbraw/zinc/04/88/33/183048833.db2.gz JSWVRDVAEQMADB-UHFFFAOYSA-N 0 0 322.452 5.368 10 0 DKAERN CCCn1c(COc2ccc(C(C)C)cc2)nc2ccccc21 ZINC000040235577 183048818 /nfs/dbraw/zinc/04/88/18/183048818.db2.gz DAYRRICBYREIPF-UHFFFAOYSA-N 0 0 308.425 5.149 10 0 DKAERN CC(C)Cn1c(COc2ccc(C(C)C)cc2)nc2ccccc21 ZINC000040235579 183048569 /nfs/dbraw/zinc/04/85/69/183048569.db2.gz KMYFDPXLSZIVMQ-UHFFFAOYSA-N 0 0 322.452 5.395 10 0 DKAERN CCCCn1c(COc2ccc(C(C)C)cc2)nc2ccccc21 ZINC000040235589 183048814 /nfs/dbraw/zinc/04/88/14/183048814.db2.gz PGHLXADDLOBAJT-UHFFFAOYSA-N 0 0 322.452 5.539 10 0 DKAERN Cc1cc(C)c(Cn2c3ccccc3nc2-c2ccco2)c(C)c1 ZINC000040238992 183048777 /nfs/dbraw/zinc/04/87/77/183048777.db2.gz GOEZMEMEKSVAHL-UHFFFAOYSA-N 0 0 316.404 5.270 10 0 DKAERN C(=C/c1ccccc1)\Cn1c2ccccc2nc1-c1ccco1 ZINC000040239002 183048778 /nfs/dbraw/zinc/04/87/78/183048778.db2.gz LLAVBCKCPAKPMS-UXBLZVDNSA-N 0 0 300.361 5.010 10 0 DKAERN c1csc(-c2nc3ccccc3n2CCCc2ccccc2)c1 ZINC000040239111 183048571 /nfs/dbraw/zinc/04/85/71/183048571.db2.gz WRTNAMZPVAKRPX-UHFFFAOYSA-N 0 0 318.445 5.398 10 0 DKAERN C(=C/c1ccccc1)\Cn1c2ccccc2nc1-c1cccs1 ZINC000040239112 183048635 /nfs/dbraw/zinc/04/86/35/183048635.db2.gz GZHOYXBTGOEVSV-UXBLZVDNSA-N 0 0 316.429 5.478 10 0 DKAERN Cc1cccc(OCCn2c3ccccc3nc2C(C)(C)C)c1C ZINC000040239221 183048697 /nfs/dbraw/zinc/04/86/97/183048697.db2.gz GAAMMBOFYWLJOH-UHFFFAOYSA-N 0 0 322.452 5.030 10 0 DKAERN Cc1ccc(OCCn2c3ccccc3nc2C(C)(C)C)c(C)c1 ZINC000040239222 183048677 /nfs/dbraw/zinc/04/86/77/183048677.db2.gz HGUGKQHSEIFKJM-UHFFFAOYSA-N 0 0 322.452 5.030 10 0 DKAERN Cc1cccc(C)c1OCCn1c2ccccc2nc1C(C)(C)C ZINC000040239223 183048866 /nfs/dbraw/zinc/04/88/66/183048866.db2.gz KFDSMXYNWXEJIR-UHFFFAOYSA-N 0 0 322.452 5.030 10 0 DKAERN Cc1cc(C)cc(OCCn2c3ccccc3nc2C(C)(C)C)c1 ZINC000040239231 183048521 /nfs/dbraw/zinc/04/85/21/183048521.db2.gz OQTLTXWUBQCYDO-UHFFFAOYSA-N 0 0 322.452 5.030 10 0 DKAERN Cc1ccccc1OCCCn1c2ccccc2nc1C(C)(C)C ZINC000040239244 183048782 /nfs/dbraw/zinc/04/87/82/183048782.db2.gz RMOCEIMLBSSEOS-UHFFFAOYSA-N 0 0 322.452 5.111 10 0 DKAERN Cc1cccc(OCCCn2c3ccccc3nc2C(C)(C)C)c1 ZINC000040239256 183048531 /nfs/dbraw/zinc/04/85/31/183048531.db2.gz LASQISQKUKXCRS-UHFFFAOYSA-N 0 0 322.452 5.111 10 0 DKAERN Cc1ccc(OCCCn2c3ccccc3nc2C(C)(C)C)cc1 ZINC000040239262 183048483 /nfs/dbraw/zinc/04/84/83/183048483.db2.gz TUWOXPPWLDFCLF-UHFFFAOYSA-N 0 0 322.452 5.111 10 0 DKAERN Cc1ccc(OCCn2c3ccccc3nc2C(C)(C)C)cc1C ZINC000040239272 183048404 /nfs/dbraw/zinc/04/84/04/183048404.db2.gz QZXCJLVMYCHXST-UHFFFAOYSA-N 0 0 322.452 5.030 10 0 DKAERN CC(C)(C)c1nc2ccccc2n1CCCCOc1ccccc1 ZINC000040239273 183048552 /nfs/dbraw/zinc/04/85/52/183048552.db2.gz DZVRIWDOCRGLBK-UHFFFAOYSA-N 0 0 322.452 5.193 10 0 DKAERN c1ccc(CCCn2c3ccccc3nc2-c2ccccc2)cc1 ZINC000040239342 183048599 /nfs/dbraw/zinc/04/85/99/183048599.db2.gz DHCPGAGETOQDRI-UHFFFAOYSA-N 0 0 312.416 5.336 10 0 DKAERN C(=C/c1ccccc1)\Cn1c2ccccc2nc1-c1ccccc1 ZINC000040239343 183048641 /nfs/dbraw/zinc/04/86/41/183048641.db2.gz GKNXVLIETSAADG-FMIVXFBMSA-N 0 0 310.400 5.417 10 0 DKAERN Cc1ccccc1Cn1c2ccccc2nc1-c1ccccc1C ZINC000040239456 183048464 /nfs/dbraw/zinc/04/84/64/183048464.db2.gz XUEWIMAMNIGZJC-UHFFFAOYSA-N 0 0 312.416 5.368 10 0 DKAERN Cc1cccc(Cn2c3ccccc3nc2-c2ccccc2C)c1 ZINC000040239458 183048598 /nfs/dbraw/zinc/04/85/98/183048598.db2.gz JKBOYVQFIHCITP-UHFFFAOYSA-N 0 0 312.416 5.368 10 0 DKAERN Cc1ccccc1-c1nc2ccccc2n1Cc1ccccc1F ZINC000040239462 183048823 /nfs/dbraw/zinc/04/88/23/183048823.db2.gz ZVLPHWFUJOSVRR-UHFFFAOYSA-N 0 0 316.379 5.199 10 0 DKAERN Cc1ccccc1-c1nc2ccccc2n1Cc1ccc(F)cc1 ZINC000040239468 183048672 /nfs/dbraw/zinc/04/86/72/183048672.db2.gz YAPCSZWAEAGFCH-UHFFFAOYSA-N 0 0 316.379 5.199 10 0 DKAERN Cc1ccc(Cn2c3ccccc3nc2-c2ccccc2C)cc1 ZINC000040239477 183048872 /nfs/dbraw/zinc/04/88/72/183048872.db2.gz ZRJFCGGQFYZGQA-UHFFFAOYSA-N 0 0 312.416 5.368 10 0 DKAERN Cc1ccccc1-c1nc2ccccc2n1CCc1ccccc1 ZINC000040239478 183048686 /nfs/dbraw/zinc/04/86/86/183048686.db2.gz YIFKCJIKFGELFA-UHFFFAOYSA-N 0 0 312.416 5.254 10 0 DKAERN Cc1ccccc1-c1nc2ccccc2n1CCC1CCCCC1 ZINC000040239479 183048726 /nfs/dbraw/zinc/04/87/26/183048726.db2.gz XAQDFEQODVSWIO-UHFFFAOYSA-N 0 0 318.464 5.982 10 0 DKAERN Cc1ccccc1-c1nc2ccccc2n1C/C=C/c1ccccc1 ZINC000040239481 183048761 /nfs/dbraw/zinc/04/87/61/183048761.db2.gz ZGNQYHTXNWVRMH-UKTHLTGXSA-N 0 0 324.427 5.725 10 0 DKAERN Cc1cccc(-c2nc3ccccc3n2Cc2ccccc2C)c1 ZINC000040239599 183048527 /nfs/dbraw/zinc/04/85/27/183048527.db2.gz VXHIMXBXIHIMFI-UHFFFAOYSA-N 0 0 312.416 5.368 10 0 DKAERN Cc1ccc(Cn2c3ccccc3nc2-c2cccc(C)c2)cc1 ZINC000040239616 183048580 /nfs/dbraw/zinc/04/85/80/183048580.db2.gz AEYKKANMDIRDLJ-UHFFFAOYSA-N 0 0 312.416 5.368 10 0 DKAERN Cc1cccc(-c2nc3ccccc3n2C/C=C/c2ccccc2)c1 ZINC000040239618 183048785 /nfs/dbraw/zinc/04/87/85/183048785.db2.gz VFLMZWBCHJBTMJ-XYOKQWHBSA-N 0 0 324.427 5.725 10 0 DKAERN Cc1ccc(-c2nc3ccccc3n2Cc2ccccc2F)cc1 ZINC000040239728 183048370 /nfs/dbraw/zinc/04/83/70/183048370.db2.gz JSYYYYRCGRXVNJ-UHFFFAOYSA-N 0 0 316.379 5.199 10 0 DKAERN Cc1ccc(-c2nc3ccccc3n2C/C=C/c2ccccc2)cc1 ZINC000040239737 183048447 /nfs/dbraw/zinc/04/84/47/183048447.db2.gz HDEHVQQUOPEFKW-JXMROGBWSA-N 0 0 324.427 5.725 10 0 DKAERN CCCCCCn1c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000040249397 183049453 /nfs/dbraw/zinc/04/94/53/183049453.db2.gz GHKZFCPLCSTXQX-UHFFFAOYSA-N 0 0 312.844 5.937 10 0 DKAERN Fc1ccc(-c2nc3ccccc3n2CCc2ccccc2)cc1 ZINC000040249692 183049387 /nfs/dbraw/zinc/04/93/87/183049387.db2.gz MRWHCUAVQIONIZ-UHFFFAOYSA-N 0 0 316.379 5.085 10 0 DKAERN Fc1ccc(-c2nc3ccccc3n2CCC2CCCCC2)cc1 ZINC000040249693 183049443 /nfs/dbraw/zinc/04/94/43/183049443.db2.gz LOFJBTDCPQRRMI-UHFFFAOYSA-N 0 0 322.427 5.813 10 0 DKAERN CCCCCCn1c2ccccc2nc1-c1cccc(OC)c1 ZINC000040250094 183049338 /nfs/dbraw/zinc/04/93/38/183049338.db2.gz XHCSWYQEDAGQGX-UHFFFAOYSA-N 0 0 308.425 5.292 10 0 DKAERN CCCCCCn1c2ccccc2nc1-c1cccc(Cl)c1 ZINC000040250377 183049126 /nfs/dbraw/zinc/04/91/26/183049126.db2.gz ZAKPXRZZZIEDRW-UHFFFAOYSA-N 0 0 312.844 5.937 10 0 DKAERN Clc1cccc(-c2nc3ccccc3n2Cc2ccccc2)c1 ZINC000040250378 183049489 /nfs/dbraw/zinc/04/94/89/183049489.db2.gz LEURKSICSMLAII-UHFFFAOYSA-N 0 0 318.807 5.405 10 0 DKAERN Fc1ccccc1-c1nc2ccccc2n1CCc1ccccc1 ZINC000040250637 183049335 /nfs/dbraw/zinc/04/93/35/183049335.db2.gz DZXRFNNMEFBPRC-UHFFFAOYSA-N 0 0 316.379 5.085 10 0 DKAERN Fc1ccccc1-c1nc2ccccc2n1CCC1CCCCC1 ZINC000040250638 183049088 /nfs/dbraw/zinc/04/90/88/183049088.db2.gz VOAWCMGODWEBNW-UHFFFAOYSA-N 0 0 322.427 5.813 10 0 DKAERN CC(=O)c1ccc(Nc2ccnc3c(C)c(Cl)ccc23)cc1 ZINC000040358916 183056471 /nfs/dbraw/zinc/05/64/71/183056471.db2.gz XTDWHMPYPBDIQN-UHFFFAOYSA-N 0 0 310.784 5.143 10 0 DKAERN Cc1c(Cl)ccc2c(Nc3cccc4ccccc43)ccnc12 ZINC000040358926 183056170 /nfs/dbraw/zinc/05/61/70/183056170.db2.gz BHVFQKOTIVJCAR-UHFFFAOYSA-N 0 0 318.807 6.093 10 0 DKAERN Cc1c(Cl)ccc2c(Nc3ccccc3Cl)ccnc12 ZINC000040358936 183056200 /nfs/dbraw/zinc/05/62/00/183056200.db2.gz LRKVAIDYNDQVEQ-UHFFFAOYSA-N 0 0 303.192 5.594 10 0 DKAERN Cc1c(Cl)ccc2c(Nc3cccc(Cl)c3)ccnc12 ZINC000040358940 183056164 /nfs/dbraw/zinc/05/61/64/183056164.db2.gz NVMOJIZKXYNYJG-UHFFFAOYSA-N 0 0 303.192 5.594 10 0 DKAERN Cc1c(Cl)ccc2c(Nc3ccc(F)cc3F)ccnc12 ZINC000040358954 183056233 /nfs/dbraw/zinc/05/62/33/183056233.db2.gz CFACYCLJLJVQFF-UHFFFAOYSA-N 0 0 304.727 5.218 10 0 DKAERN Cc1c(Cl)cccc1Nc1ccnc2c(C)c(Cl)ccc12 ZINC000040358964 183056061 /nfs/dbraw/zinc/05/60/61/183056061.db2.gz BSXIEZHPIGMQDN-UHFFFAOYSA-N 0 0 317.219 5.902 10 0 DKAERN CC(=O)c1ccccc1Nc1ccnc2c(C)c(Cl)ccc12 ZINC000040358984 183056210 /nfs/dbraw/zinc/05/62/10/183056210.db2.gz MPVYBJLFWFYESI-UHFFFAOYSA-N 0 0 310.784 5.143 10 0 DKAERN CC(=O)c1cccc(Nc2ccnc3c(C)c(Cl)ccc23)c1 ZINC000040358986 183056085 /nfs/dbraw/zinc/05/60/85/183056085.db2.gz LYFKBSKMPKCCOL-UHFFFAOYSA-N 0 0 310.784 5.143 10 0 DKAERN Cc1c(Cl)ccc2c(Nc3cc(F)cc(F)c3)ccnc12 ZINC000040358990 183056368 /nfs/dbraw/zinc/05/63/68/183056368.db2.gz OBSBLONXUSTIFZ-UHFFFAOYSA-N 0 0 304.727 5.218 10 0 DKAERN Cc1c(Cl)ccc2c(Nc3ccc(Cl)cc3)ccnc12 ZINC000040358992 183056021 /nfs/dbraw/zinc/05/60/21/183056021.db2.gz ZFUVSZADWRXJMR-UHFFFAOYSA-N 0 0 303.192 5.594 10 0 DKAERN Cc1ccc(C(=O)Nc2cc(C)nc3c(C)c(Cl)ccc23)cc1 ZINC000040359512 183057317 /nfs/dbraw/zinc/05/73/17/183057317.db2.gz UHMHMMQBKAASJJ-UHFFFAOYSA-N 0 0 324.811 5.066 10 0 DKAERN Cc1cccc(C(=O)Nc2cc(C)nc3c(C)c(Cl)ccc23)c1 ZINC000040359550 183056811 /nfs/dbraw/zinc/05/68/11/183056811.db2.gz XBHIRXYRIPYELG-UHFFFAOYSA-N 0 0 324.811 5.066 10 0 DKAERN CCCCCSc1ncnc2c1sc1nc(C)cc(C)c12 ZINC000040373614 183057271 /nfs/dbraw/zinc/05/72/71/183057271.db2.gz FKZIBMCMWLVHCX-UHFFFAOYSA-N 0 0 317.483 5.139 10 0 DKAERN Clc1ccc2[nH]c(Nc3ccc(Cl)c(Cl)c3)nc2c1 ZINC000040379869 183058087 /nfs/dbraw/zinc/05/80/87/183058087.db2.gz DYYHUQLVHAVKMC-UHFFFAOYSA-N 0 0 312.587 5.267 10 0 DKAERN CC(C)c1ccc(-c2cn3cc(Cl)cc(Cl)c3n2)cc1 ZINC000040383786 183059439 /nfs/dbraw/zinc/05/94/39/183059439.db2.gz ICNWZUHHCKAPLN-UHFFFAOYSA-N 0 0 305.208 5.432 10 0 DKAERN Cc1cc(Cl)cn2cc(-c3ccc(Cl)cc3Cl)nc12 ZINC000040383812 183059198 /nfs/dbraw/zinc/05/91/98/183059198.db2.gz OZXXNEQVJDZJQI-UHFFFAOYSA-N 0 0 311.599 5.270 10 0 DKAERN Cc1cc(Cl)cn2cc(-c3ccc(Cl)c(Cl)c3)nc12 ZINC000040383815 183059129 /nfs/dbraw/zinc/05/91/29/183059129.db2.gz VTDVNSXNSLKWDR-UHFFFAOYSA-N 0 0 311.599 5.270 10 0 DKAERN CCc1ccc(-c2cn3cc(Cl)c(C)c(Cl)c3n2)cc1 ZINC000040383830 183059138 /nfs/dbraw/zinc/05/91/38/183059138.db2.gz GPWLTNJCQXGSPH-UHFFFAOYSA-N 0 0 305.208 5.179 10 0 DKAERN Cc1c(Cl)cn2cc(-c3ccc(C(C)C)cc3)nc2c1Cl ZINC000040383832 183059604 /nfs/dbraw/zinc/05/96/04/183059604.db2.gz DOCZTJSOFLPZKO-UHFFFAOYSA-N 0 0 319.235 5.740 10 0 DKAERN Cc1ccc(-c2cn3cc(Cl)c(C)c(Cl)c3n2)cc1C ZINC000040383835 183059606 /nfs/dbraw/zinc/05/96/06/183059606.db2.gz HUPOKZUNEYKSPZ-UHFFFAOYSA-N 0 0 305.208 5.233 10 0 DKAERN Cc1c(Cl)cn2cc(-c3ccc(Cl)cc3)nc2c1Cl ZINC000040383843 183059404 /nfs/dbraw/zinc/05/94/04/183059404.db2.gz CIDBLQFAMQCNQN-UHFFFAOYSA-N 0 0 311.599 5.270 10 0 DKAERN CCOc1ccc(-c2cn3cc(Cl)c(C)c(Cl)c3n2)cc1 ZINC000040383865 183059312 /nfs/dbraw/zinc/05/93/12/183059312.db2.gz NRLLTEOFOGGGRB-UHFFFAOYSA-N 0 0 321.207 5.015 10 0 DKAERN Cc1cc(Nc2cc(Cl)cc(Cl)c2)nc2ccccc12 ZINC000040400811 183061470 /nfs/dbraw/zinc/06/14/70/183061470.db2.gz ZGSTYXWHSFKUBV-UHFFFAOYSA-N 0 0 303.192 5.594 10 0 DKAERN Cc1cc(Nc2ccccc2C(F)(F)F)nc2ccccc12 ZINC000040400820 183061279 /nfs/dbraw/zinc/06/12/79/183061279.db2.gz WZGOGMGXMKIIRS-UHFFFAOYSA-N 0 0 302.299 5.306 10 0 DKAERN Cc1cc(NCc2c(Cl)cccc2Cl)nc2ccccc12 ZINC000040400838 183061764 /nfs/dbraw/zinc/06/17/64/183061764.db2.gz SDXHFYOZPOEZEC-UHFFFAOYSA-N 0 0 317.219 5.462 10 0 DKAERN CCOCCCn1c2cc(Cl)ccc2nc1C1CCCCC1 ZINC000040403293 183061362 /nfs/dbraw/zinc/06/13/62/183061362.db2.gz KFWLKIZUIZHPEQ-UHFFFAOYSA-N 0 0 320.864 5.164 10 0 DKAERN CCOCCCn1c2ccc(Cl)cc2nc1C1CCCCC1 ZINC000040403296 183061497 /nfs/dbraw/zinc/06/14/97/183061497.db2.gz FIVOOMRLNIDVIO-UHFFFAOYSA-N 0 0 320.864 5.164 10 0 DKAERN Clc1ccc2nc(C3CCCCC3)n(Cc3ccco3)c2c1 ZINC000040409900 183063006 /nfs/dbraw/zinc/06/30/06/183063006.db2.gz XPIPLQFZEXCJKI-UHFFFAOYSA-N 0 0 314.816 5.379 10 0 DKAERN Clc1ccc2c(c1)nc(C1CCCCC1)n2Cc1ccco1 ZINC000040409904 183062853 /nfs/dbraw/zinc/06/28/53/183062853.db2.gz GRMYARKAWZFKSV-UHFFFAOYSA-N 0 0 314.816 5.379 10 0 DKAERN Cc1ccccc1-c1nc2ccc(Cl)cc2n1Cc1ccco1 ZINC000040409916 183062845 /nfs/dbraw/zinc/06/28/45/183062845.db2.gz LWZJJPZWRMTZIW-UHFFFAOYSA-N 0 0 322.795 5.306 10 0 DKAERN Cc1ccccc1-c1nc2cc(Cl)ccc2n1Cc1ccco1 ZINC000040409920 183062980 /nfs/dbraw/zinc/06/29/80/183062980.db2.gz OKDDHXLJZXPLNB-UHFFFAOYSA-N 0 0 322.795 5.306 10 0 DKAERN Cc1cccc(-c2nc3cc(Cl)ccc3n2Cc2ccco2)c1 ZINC000040409924 183062788 /nfs/dbraw/zinc/06/27/88/183062788.db2.gz HFOKYIJFNQWRFE-UHFFFAOYSA-N 0 0 322.795 5.306 10 0 DKAERN Cc1cccc(-c2nc3ccc(Cl)cc3n2Cc2ccco2)c1 ZINC000040409928 183062762 /nfs/dbraw/zinc/06/27/62/183062762.db2.gz JBODECQNGMXYFH-UHFFFAOYSA-N 0 0 322.795 5.306 10 0 DKAERN Cc1ccc(-c2nc3ccc(Cl)cc3n2Cc2ccco2)cc1 ZINC000040409931 183062840 /nfs/dbraw/zinc/06/28/40/183062840.db2.gz JLCRSDRAFXUZLO-UHFFFAOYSA-N 0 0 322.795 5.306 10 0 DKAERN Cc1ccc(-c2nc3cc(Cl)ccc3n2Cc2ccco2)cc1 ZINC000040409935 183062847 /nfs/dbraw/zinc/06/28/47/183062847.db2.gz KKZLWJVKDYPBEA-UHFFFAOYSA-N 0 0 322.795 5.306 10 0 DKAERN Clc1ccc2c(c1)nc(-c1cccs1)n2Cc1ccco1 ZINC000040410088 183062780 /nfs/dbraw/zinc/06/27/80/183062780.db2.gz NTNPVVBYGRYZRB-UHFFFAOYSA-N 0 0 314.797 5.060 10 0 DKAERN Cn1c(CSc2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000040417068 183063665 /nfs/dbraw/zinc/06/36/65/183063665.db2.gz WYAGDLRBUKFRCJ-UHFFFAOYSA-N 0 0 323.248 5.172 10 0 DKAERN Cn1c(CSc2ccc(Cl)cc2)nc2ccc(Cl)cc21 ZINC000040417069 183063603 /nfs/dbraw/zinc/06/36/03/183063603.db2.gz DUDOWEQWMQFSSR-UHFFFAOYSA-N 0 0 323.248 5.172 10 0 DKAERN CCn1c2ccc(C(F)(F)F)cc2nc1-c1ccccc1C ZINC000040417153 183063420 /nfs/dbraw/zinc/06/34/20/183063420.db2.gz MBKPREBOLYEEIE-UHFFFAOYSA-N 0 0 304.315 5.050 10 0 DKAERN CCn1c2ccc(C(F)(F)F)cc2nc1-c1ccc(C)cc1C ZINC000040417154 183063436 /nfs/dbraw/zinc/06/34/36/183063436.db2.gz VIMFVTILDLHOFP-UHFFFAOYSA-N 0 0 318.342 5.359 10 0 DKAERN CCn1c2ccc(C(F)(F)F)cc2nc1-c1ccc(C)cc1 ZINC000040417155 183063669 /nfs/dbraw/zinc/06/36/69/183063669.db2.gz HKQRIIOPSBNALX-UHFFFAOYSA-N 0 0 304.315 5.050 10 0 DKAERN CCn1c2ccc(C(F)(F)F)cc2nc1-c1cccc(C)c1 ZINC000040417156 183063516 /nfs/dbraw/zinc/06/35/16/183063516.db2.gz RCPLOYICXUNMTQ-UHFFFAOYSA-N 0 0 304.315 5.050 10 0 DKAERN CCn1c2ccc(Cl)cc2nc1Cc1cccc2ccccc21 ZINC000040417201 183063841 /nfs/dbraw/zinc/06/38/41/183063841.db2.gz OQHORMICQGEIBG-UHFFFAOYSA-N 0 0 320.823 5.454 10 0 DKAERN CCn1c2cc(Cl)ccc2nc1Cc1cccc2ccccc21 ZINC000040417202 183063644 /nfs/dbraw/zinc/06/36/44/183063644.db2.gz BJXTWADRSHKDSH-UHFFFAOYSA-N 0 0 320.823 5.454 10 0 DKAERN CC(C)n1c2ccc(C(F)(F)F)cc2nc1C1CCCCC1 ZINC000040417295 183063753 /nfs/dbraw/zinc/06/37/53/183063753.db2.gz VWTWOSKEGBSZEL-UHFFFAOYSA-N 0 0 310.363 5.684 10 0 DKAERN CC(C)n1c2ccc(C(F)(F)F)cc2nc1Cc1ccccc1 ZINC000040417301 183063680 /nfs/dbraw/zinc/06/36/80/183063680.db2.gz PDNDJKIDUMUVGZ-UHFFFAOYSA-N 0 0 318.342 5.227 10 0 DKAERN CC(C)n1c2ccc(C(F)(F)F)cc2nc1-c1cccs1 ZINC000040417313 183063711 /nfs/dbraw/zinc/06/37/11/183063711.db2.gz XMGPTTIPWDPFIC-UHFFFAOYSA-N 0 0 310.344 5.365 10 0 DKAERN CC(C)n1c2ccc(C(F)(F)F)cc2nc1-c1ccccc1 ZINC000040417314 183063565 /nfs/dbraw/zinc/06/35/65/183063565.db2.gz MNXSLRHPBOIDDA-UHFFFAOYSA-N 0 0 304.315 5.303 10 0 DKAERN Cc1ccccc1-c1nc2cc(C(F)(F)F)ccc2n1C(C)C ZINC000040417315 183063713 /nfs/dbraw/zinc/06/37/13/183063713.db2.gz IMDKURMCOHFTPQ-UHFFFAOYSA-N 0 0 318.342 5.611 10 0 DKAERN Cc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C(C)C)cc1 ZINC000040417317 183063681 /nfs/dbraw/zinc/06/36/81/183063681.db2.gz JYPGLCRTCXXFHH-UHFFFAOYSA-N 0 0 318.342 5.611 10 0 DKAERN Cc1cccc(-c2nc3cc(C(F)(F)F)ccc3n2C(C)C)c1 ZINC000040417318 183063502 /nfs/dbraw/zinc/06/35/02/183063502.db2.gz HPISDAIVMIEWLC-UHFFFAOYSA-N 0 0 318.342 5.611 10 0 DKAERN CC(C)n1c2ccc(Cl)cc2nc1Cc1ccc(Cl)cc1 ZINC000040417361 183063786 /nfs/dbraw/zinc/06/37/86/183063786.db2.gz DQMRQPMSCXTOHL-UHFFFAOYSA-N 0 0 319.235 5.515 10 0 DKAERN CC(C)n1c2cc(Cl)ccc2nc1Cc1ccc(Cl)cc1 ZINC000040417362 183063703 /nfs/dbraw/zinc/06/37/03/183063703.db2.gz NJIPNKIBRDVQNP-UHFFFAOYSA-N 0 0 319.235 5.515 10 0 DKAERN Cc1ccccc1OCc1nc2cc(Cl)ccc2n1C(C)C ZINC000040417393 183063682 /nfs/dbraw/zinc/06/36/82/183063682.db2.gz MXTSSBNLDPVHEY-UHFFFAOYSA-N 0 0 314.816 5.158 10 0 DKAERN Cc1ccccc1OCc1nc2ccc(Cl)cc2n1C(C)C ZINC000040417394 183063660 /nfs/dbraw/zinc/06/36/60/183063660.db2.gz VZGMJNOGBVPDDQ-UHFFFAOYSA-N 0 0 314.816 5.158 10 0 DKAERN Cc1cccc(OCc2nc3cc(Cl)ccc3n2C(C)C)c1 ZINC000040417396 183063672 /nfs/dbraw/zinc/06/36/72/183063672.db2.gz RUXXUOKZQNFZSD-UHFFFAOYSA-N 0 0 314.816 5.158 10 0 DKAERN Cc1ccc(OCc2nc3cc(Cl)ccc3n2C(C)C)cc1 ZINC000040417397 183063745 /nfs/dbraw/zinc/06/37/45/183063745.db2.gz QKYNHVPYIIIUNV-UHFFFAOYSA-N 0 0 314.816 5.158 10 0 DKAERN Cc1ccc(OCc2nc3ccc(Cl)cc3n2C(C)C)cc1 ZINC000040417398 183063659 /nfs/dbraw/zinc/06/36/59/183063659.db2.gz WBFZGCUYUDONJX-UHFFFAOYSA-N 0 0 314.816 5.158 10 0 DKAERN CCCn1c2ccc(C(F)(F)F)cc2nc1C1CCCCC1 ZINC000040417455 183063692 /nfs/dbraw/zinc/06/36/92/183063692.db2.gz RQOVTKSTBXNCKZ-UHFFFAOYSA-N 0 0 310.363 5.513 10 0 DKAERN CCCn1c2ccc(C(F)(F)F)cc2nc1Cc1ccccc1 ZINC000040417461 183063704 /nfs/dbraw/zinc/06/37/04/183063704.db2.gz PUMAYHRRFHHSKX-UHFFFAOYSA-N 0 0 318.342 5.056 10 0 DKAERN CCCn1c2ccc(C(F)(F)F)cc2nc1-c1cccs1 ZINC000040417473 183063663 /nfs/dbraw/zinc/06/36/63/183063663.db2.gz FPZOFWFDQOBUAL-UHFFFAOYSA-N 0 0 310.344 5.194 10 0 DKAERN CCCn1c2ccc(C(F)(F)F)cc2nc1-c1ccccc1 ZINC000040417474 183063722 /nfs/dbraw/zinc/06/37/22/183063722.db2.gz LQZRGZFVBJWWOI-UHFFFAOYSA-N 0 0 304.315 5.132 10 0 DKAERN CCCn1c2ccc(C(F)(F)F)cc2nc1-c1ccccc1C ZINC000040417475 183063409 /nfs/dbraw/zinc/06/34/09/183063409.db2.gz ZBCRHUNMCFTULI-UHFFFAOYSA-N 0 0 318.342 5.441 10 0 DKAERN CCCn1c2ccc(C(F)(F)F)cc2nc1-c1ccc(C)cc1 ZINC000040417477 183063488 /nfs/dbraw/zinc/06/34/88/183063488.db2.gz USMMZOSKQAZWGZ-UHFFFAOYSA-N 0 0 318.342 5.441 10 0 DKAERN CCCn1c2ccc(C(F)(F)F)cc2nc1-c1cccc(C)c1 ZINC000040417478 183063446 /nfs/dbraw/zinc/06/34/46/183063446.db2.gz CKVBUPOQYHSDGL-UHFFFAOYSA-N 0 0 318.342 5.441 10 0 DKAERN CCCn1c2ccc(Cl)cc2nc1Cc1ccc(Cl)cc1 ZINC000040417521 183063676 /nfs/dbraw/zinc/06/36/76/183063676.db2.gz PNDFCTQSGDYPET-UHFFFAOYSA-N 0 0 319.235 5.344 10 0 DKAERN CCCn1c2cc(Cl)ccc2nc1Cc1ccc(Cl)cc1 ZINC000040417522 183063580 /nfs/dbraw/zinc/06/35/80/183063580.db2.gz DSTZKTMXNBIRMT-UHFFFAOYSA-N 0 0 319.235 5.344 10 0 DKAERN CC(C)Cn1c2ccc(C(F)(F)F)cc2nc1C1CCCCC1 ZINC000040417612 183063751 /nfs/dbraw/zinc/06/37/51/183063751.db2.gz QXPFNQGXEPDMBN-UHFFFAOYSA-N 0 0 324.390 5.759 10 0 DKAERN CC(C)Cn1c2ccc(C(F)(F)F)cc2nc1-c1cccs1 ZINC000040417630 183063690 /nfs/dbraw/zinc/06/36/90/183063690.db2.gz CEHVVWYSEUPXIQ-UHFFFAOYSA-N 0 0 324.371 5.440 10 0 DKAERN CC(C)Cn1c2ccc(C(F)(F)F)cc2nc1-c1ccccc1 ZINC000040417631 183063661 /nfs/dbraw/zinc/06/36/61/183063661.db2.gz ADGWILOJJVNIET-UHFFFAOYSA-N 0 0 318.342 5.378 10 0 DKAERN CC(C)c1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC000040417762 183063593 /nfs/dbraw/zinc/06/35/93/183063593.db2.gz RWYUFODDWQALBS-UHFFFAOYSA-N 0 0 318.342 5.227 10 0 DKAERN CCCc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC000040417765 183063727 /nfs/dbraw/zinc/06/37/27/183063727.db2.gz KNWJSVDISYDIQL-UHFFFAOYSA-N 0 0 318.342 5.056 10 0 DKAERN Clc1ccc2c(c1)nc(C1CCCCC1)n2Cc1ccccc1 ZINC000040417845 183063731 /nfs/dbraw/zinc/06/37/31/183063731.db2.gz SQPAJTUGEBYHHH-UHFFFAOYSA-N 0 0 324.855 5.786 10 0 DKAERN Clc1ccc2c(c1)nc(-c1cccs1)n2Cc1ccccc1 ZINC000040417890 183063636 /nfs/dbraw/zinc/06/36/36/183063636.db2.gz ARALWJZPJBBGJQ-UHFFFAOYSA-N 0 0 324.836 5.467 10 0 DKAERN Cc1cc(Nc2ccccc2C)c2ccc(C(F)(F)F)cc2n1 ZINC000040570851 183104040 /nfs/dbraw/zinc/10/40/40/183104040.db2.gz VHLORGNZWVPKOQ-UHFFFAOYSA-N 0 0 316.326 5.614 10 0 DKAERN Cc1cc(Nc2cccc(F)c2)c2ccc(C(F)(F)F)cc2n1 ZINC000040570870 183103704 /nfs/dbraw/zinc/10/37/04/183103704.db2.gz LHKKMRDLKULLGJ-UHFFFAOYSA-N 0 0 320.289 5.445 10 0 DKAERN CSc1nc(-c2ccc(F)cc2)c(-c2ccc(Cl)cc2)[nH]1 ZINC000040640580 183113562 /nfs/dbraw/zinc/11/35/62/183113562.db2.gz QLYHZVVZTMICAD-UHFFFAOYSA-N 0 0 318.804 5.258 10 0 DKAERN CSc1nc(-c2ccccc2)c(-c2cccc(Cl)c2)[nH]1 ZINC000040641006 183113446 /nfs/dbraw/zinc/11/34/46/183113446.db2.gz UHTDMCPHPPQQTH-UHFFFAOYSA-N 0 0 300.814 5.119 10 0 DKAERN Clc1cc(Cl)c2nc(-c3ccc4c(c3)CCCC4)cn2c1 ZINC000040715119 183122732 /nfs/dbraw/zinc/12/27/32/183122732.db2.gz VNEIQQYAMAQAGO-UHFFFAOYSA-N 0 0 317.219 5.187 10 0 DKAERN Cc1cc(C)cc(Cn2c(=S)[nH]c3ccc(Cl)cc32)c1 ZINC000040836140 183139996 /nfs/dbraw/zinc/13/99/96/183139996.db2.gz XSPCPGMXRMWJOO-UHFFFAOYSA-N 0 0 302.830 5.017 10 0 DKAERN Cc1ccc(-c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000040840912 183141468 /nfs/dbraw/zinc/14/14/68/183141468.db2.gz LQHQKTGLWIHGQA-UHFFFAOYSA-N 0 0 322.791 5.535 10 0 DKAERN Cc1cc(C)cc(OC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1 ZINC000040868206 183144625 /nfs/dbraw/zinc/14/46/25/183144625.db2.gz LFSJRQCNDLPEIB-GQCTYLIASA-N 0 0 321.203 5.229 10 0 DKAERN CCc1ccc(OC(=O)/C=C/c2c(Cl)cccc2Cl)cc1 ZINC000040869123 183145305 /nfs/dbraw/zinc/14/53/05/183145305.db2.gz CHDUQOWWHYWTBR-ZHACJKMWSA-N 0 0 321.203 5.175 10 0 DKAERN Cc1ccc(OC(=O)/C=C/c2c(Cl)cccc2Cl)cc1C ZINC000040869126 183145151 /nfs/dbraw/zinc/14/51/51/183145151.db2.gz GMGRGIYGWGDTFX-CMDGGOBGSA-N 0 0 321.203 5.229 10 0 DKAERN CC(C)(C)c1ccc(C(=O)Oc2ccccc2C(C)(C)C)cc1 ZINC000040882682 183146300 /nfs/dbraw/zinc/14/63/00/183146300.db2.gz UOAHGGZQVCQSIV-UHFFFAOYSA-N 0 0 310.437 5.501 10 0 DKAERN CCCc1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000040883415 183146077 /nfs/dbraw/zinc/14/60/77/183146077.db2.gz MKIANRLPCKWTSZ-UHFFFAOYSA-N 0 0 309.192 5.165 10 0 DKAERN CC(C)(C)c1ccccc1OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000040883417 183146150 /nfs/dbraw/zinc/14/61/50/183146150.db2.gz DOLNCIFVQLVRPE-UHFFFAOYSA-N 0 0 323.219 5.510 10 0 DKAERN Cc1cc(OC(=O)c2ccc(Cl)c(Cl)c2)ccc1Cl ZINC000040883421 183146047 /nfs/dbraw/zinc/14/60/47/183146047.db2.gz QFILNAUWCAGSBP-UHFFFAOYSA-N 0 0 315.583 5.174 10 0 DKAERN CC(C)c1ccc(/C=C/C(=O)Oc2ccccc2C(C)(C)C)cc1 ZINC000040883579 183146589 /nfs/dbraw/zinc/14/65/89/183146589.db2.gz XLNVZYDTHICJKL-NTCAYCPXSA-N 0 0 322.448 5.726 10 0 DKAERN CC(C)c1ccc(/C=C/C(=O)Oc2ccccc2Cl)cc1 ZINC000040883585 183146069 /nfs/dbraw/zinc/14/60/69/183146069.db2.gz YMKAIZQLNZRHBD-FMIVXFBMSA-N 0 0 300.785 5.082 10 0 DKAERN CC(C)(C)c1ccccc1OC(=O)/C=C/c1ccc(Cl)cc1 ZINC000040883601 183146417 /nfs/dbraw/zinc/14/64/17/183146417.db2.gz ZWBRLVWYIBQCPH-JLHYYAGUSA-N 0 0 314.812 5.256 10 0 DKAERN Clc1cc2nc(-c3ccc4ccccc4c3)[nH]c2cc1Cl ZINC000040913988 183148028 /nfs/dbraw/zinc/14/80/28/183148028.db2.gz GUWBDIXDBVQULZ-UHFFFAOYSA-N 0 0 313.187 5.690 10 0 DKAERN Fc1ccccc1CSc1nc(-c2ccccc2)cs1 ZINC000040924190 183149396 /nfs/dbraw/zinc/14/93/96/183149396.db2.gz RBBSDBXYQVJXBX-UHFFFAOYSA-N 0 0 301.411 5.242 10 0 DKAERN Cc1sc(NC(=O)CC(C)(C)C)nc1-c1ccc(Cl)cc1 ZINC000040935875 183149328 /nfs/dbraw/zinc/14/93/28/183149328.db2.gz RPMZZJYKXFGBGT-UHFFFAOYSA-N 0 0 322.861 5.147 10 0 DKAERN Cc1sc(NC(=O)CC(C)(C)C)nc1-c1cccc(Cl)c1 ZINC000040935882 183148812 /nfs/dbraw/zinc/14/88/12/183148812.db2.gz ATRZTLZTGFAGGT-UHFFFAOYSA-N 0 0 322.861 5.147 10 0 DKAERN CCCCOc1ccc(NC(=O)c2cccc3ccccc32)cc1 ZINC000040946956 183151000 /nfs/dbraw/zinc/15/10/00/183151000.db2.gz DKVBGPXQGCRSFY-UHFFFAOYSA-N 0 0 319.404 5.271 10 0 DKAERN CCCCC1CCC(C(=O)Nc2ccccc2C(C)C)CC1 ZINC000040949089 183150509 /nfs/dbraw/zinc/15/05/09/183150509.db2.gz UUBRJOXSZIGURQ-UHFFFAOYSA-N 0 0 301.474 5.745 10 0 DKAERN CCCCC1CCC(C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000040949090 183150473 /nfs/dbraw/zinc/15/04/73/183150473.db2.gz OSESOTDCQUPOFU-UHFFFAOYSA-N 0 0 301.474 5.745 10 0 DKAERN CCCCC1CCC(C(=O)Nc2c(C)cccc2CC)CC1 ZINC000040949092 183150878 /nfs/dbraw/zinc/15/08/78/183150878.db2.gz MJKKBWGKKOBKAS-UHFFFAOYSA-N 0 0 301.474 5.493 10 0 DKAERN CCCCC1CCC(C(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000040949093 183150582 /nfs/dbraw/zinc/15/05/82/183150582.db2.gz ZDCGIUYGFJEHEY-UHFFFAOYSA-N 0 0 301.474 5.547 10 0 DKAERN CCCCC1CCC(C(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000040949094 183150590 /nfs/dbraw/zinc/15/05/90/183150590.db2.gz CTJQAQLNLDHNBK-UHFFFAOYSA-N 0 0 315.501 6.054 10 0 DKAERN CCCCC1CCC(C(=O)Nc2ccc(OC(C)C)cc2)CC1 ZINC000040949099 183150776 /nfs/dbraw/zinc/15/07/76/183150776.db2.gz GUJFXUUVBVJGIQ-UHFFFAOYSA-N 0 0 317.473 5.409 10 0 DKAERN CCCCC1CCC(C(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000040949134 183150841 /nfs/dbraw/zinc/15/08/41/183150841.db2.gz USTLWPDJDQCXSZ-UHFFFAOYSA-N 0 0 307.865 5.584 10 0 DKAERN CCCCC1CCC(C(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000040949147 183150653 /nfs/dbraw/zinc/15/06/53/183150653.db2.gz YMDYQCDBHWDSDG-UHFFFAOYSA-N 0 0 307.865 5.584 10 0 DKAERN CCCCC1CCC(C(=O)Nc2c(C)cc(C)cc2Cl)CC1 ZINC000040949149 183151016 /nfs/dbraw/zinc/15/10/16/183151016.db2.gz GKSDHIBIMMYUPG-UHFFFAOYSA-N 0 0 321.892 5.892 10 0 DKAERN CCCCc1ccc(NC(=O)/C=C/c2ccccc2OCC)cc1 ZINC000040950144 183150446 /nfs/dbraw/zinc/15/04/46/183150446.db2.gz BFSFUECCFKEISK-DTQAZKPQSA-N 0 0 323.436 5.080 10 0 DKAERN CCOc1ccccc1/C=C/C(=O)Oc1ccc(C(C)(C)C)cc1 ZINC000040950301 183150476 /nfs/dbraw/zinc/15/04/76/183150476.db2.gz CGBFUSWFULKXGB-XNTDXEJSSA-N 0 0 324.420 5.002 10 0 DKAERN CCCCCCc1nn2c(C)c(-c3ccc(F)cc3)nc2s1 ZINC000040963691 183152377 /nfs/dbraw/zinc/15/23/77/183152377.db2.gz HZUMQLSHYAVWEK-UHFFFAOYSA-N 0 0 317.433 5.028 10 0 DKAERN CCCCCCc1nn2c(C)c(-c3ccc(C)cc3)nc2s1 ZINC000040963703 183152207 /nfs/dbraw/zinc/15/22/07/183152207.db2.gz REXJBOYKCPSZBR-UHFFFAOYSA-N 0 0 313.470 5.197 10 0 DKAERN CCCCCCc1nn2cc(-c3ccccc3Cl)nc2s1 ZINC000040963723 183152449 /nfs/dbraw/zinc/15/24/49/183152449.db2.gz QYXUVSUHHKXRFU-UHFFFAOYSA-N 0 0 319.861 5.234 10 0 DKAERN CCCCCCc1nn2cc(-c3cc(C)ccc3C)nc2s1 ZINC000040963747 183152399 /nfs/dbraw/zinc/15/23/99/183152399.db2.gz DNIOXUPSMYUGBA-UHFFFAOYSA-N 0 0 313.470 5.197 10 0 DKAERN Cc1c(-c2ccc(C)cc2)nc2sc(C3CCCCC3)nn12 ZINC000040963767 183152346 /nfs/dbraw/zinc/15/23/46/183152346.db2.gz SNDMFSSOHWHSCI-UHFFFAOYSA-N 0 0 311.454 5.122 10 0 DKAERN Clc1ccccc1-c1cn2nc(C3CCCCC3)sc2n1 ZINC000040963782 183152212 /nfs/dbraw/zinc/15/22/12/183152212.db2.gz HHQAYYYTZPPPBD-UHFFFAOYSA-N 0 0 317.845 5.159 10 0 DKAERN Cc1ccc(C)c(-c2cn3nc(C4CCCCC4)sc3n2)c1 ZINC000040963794 183152053 /nfs/dbraw/zinc/15/20/53/183152053.db2.gz LEMFQMPALQKRRH-UHFFFAOYSA-N 0 0 311.454 5.122 10 0 DKAERN CCC(CC)c1nn2c(C)c(-c3ccc(Cl)cc3)nc2s1 ZINC000040963811 183152394 /nfs/dbraw/zinc/15/23/94/183152394.db2.gz PJHLXDUWCUTWGQ-UHFFFAOYSA-N 0 0 319.861 5.323 10 0 DKAERN CCC(CC)c1nn2cc(-c3ccccc3Cl)nc2s1 ZINC000040963834 183152296 /nfs/dbraw/zinc/15/22/96/183152296.db2.gz OOGJZVAOBDEDTR-UHFFFAOYSA-N 0 0 305.834 5.015 10 0 DKAERN CC(C)Oc1ccc(-c2cn3c4ccccc4sc3n2)cc1 ZINC000040964199 183152437 /nfs/dbraw/zinc/15/24/37/183152437.db2.gz FBBZFGUAMUQLTB-UHFFFAOYSA-N 0 0 308.406 5.003 10 0 DKAERN CCCCOc1ccc(-c2cn3c4ccccc4sc3n2)cc1 ZINC000040964202 183152083 /nfs/dbraw/zinc/15/20/83/183152083.db2.gz APHCRVBNZGZDOE-UHFFFAOYSA-N 0 0 322.433 5.395 10 0 DKAERN Cc1c(-c2ccc(Cl)cc2)nc2sc3cc(C)ccc3n12 ZINC000040964214 183151963 /nfs/dbraw/zinc/15/19/63/183151963.db2.gz ZFMQGXIIXXQRKI-UHFFFAOYSA-N 0 0 312.825 5.486 10 0 DKAERN CCOc1ccc(-c2nc3sc4cc(C)ccc4n3c2C)cc1 ZINC000040964217 183151974 /nfs/dbraw/zinc/15/19/74/183151974.db2.gz XAPCLJNGJZPDPH-UHFFFAOYSA-N 0 0 322.433 5.232 10 0 DKAERN Cc1ccc2c(c1)sc1nc(-c3ccc(OC(C)C)cc3)cn21 ZINC000040964241 183152308 /nfs/dbraw/zinc/15/23/08/183152308.db2.gz BBQQJIRVBYHESF-UHFFFAOYSA-N 0 0 322.433 5.312 10 0 DKAERN CCOc1ccc2c(c1)sc1nc(-c3ccc(C)cc3)c(C)n21 ZINC000040964334 183152160 /nfs/dbraw/zinc/15/21/60/183152160.db2.gz JQFKBRFGPFGFJS-UHFFFAOYSA-N 0 0 322.433 5.232 10 0 DKAERN CCOc1ccc2c(c1)sc1nc(-c3ccc(CC)cc3)cn21 ZINC000040964352 183152143 /nfs/dbraw/zinc/15/21/43/183152143.db2.gz MHFAXSHTVFIQIL-UHFFFAOYSA-N 0 0 322.433 5.177 10 0 DKAERN CCOc1ccc2c(c1)sc1nc(-c3ccc(C)c(C)c3)cn21 ZINC000040964360 183152214 /nfs/dbraw/zinc/15/22/14/183152214.db2.gz UUTAMCWSNTVINU-UHFFFAOYSA-N 0 0 322.433 5.232 10 0 DKAERN CCOc1ccc2c(c1)sc1nc(-c3cc(C)ccc3C)cn21 ZINC000040964363 183152230 /nfs/dbraw/zinc/15/22/30/183152230.db2.gz HKRRKMJBGLUDOH-UHFFFAOYSA-N 0 0 322.433 5.232 10 0 DKAERN Cc1c(-c2ccc(Cl)cc2)nc2sc3cccc(C)c3n12 ZINC000040964471 183152022 /nfs/dbraw/zinc/15/20/22/183152022.db2.gz KCGDFVLUMDRDMP-UHFFFAOYSA-N 0 0 312.825 5.486 10 0 DKAERN CCOc1ccc(-c2nc3sc4cccc(C)c4n3c2C)cc1 ZINC000040964476 183152367 /nfs/dbraw/zinc/15/23/67/183152367.db2.gz KVLQIZYIIVZRPG-UHFFFAOYSA-N 0 0 322.433 5.232 10 0 DKAERN Cc1cccc2sc3nc(-c4ccc(OC(C)C)cc4)cn3c21 ZINC000040964521 183152247 /nfs/dbraw/zinc/15/22/47/183152247.db2.gz YTTTVRDEJVCJRQ-UHFFFAOYSA-N 0 0 322.433 5.312 10 0 DKAERN Cc1c(-c2ccc(F)cc2)nc2sc3ccc(C)c(C)c3n12 ZINC000040964539 183152010 /nfs/dbraw/zinc/15/20/10/183152010.db2.gz VNRAGIMRDNWMNE-UHFFFAOYSA-N 0 0 310.397 5.280 10 0 DKAERN Cc1ccc2sc3nc(-c4ccc(Cl)cc4)cn3c2c1C ZINC000040964545 183152447 /nfs/dbraw/zinc/15/24/47/183152447.db2.gz DOMQSXBQFONXNQ-UHFFFAOYSA-N 0 0 312.825 5.486 10 0 DKAERN CCOc1ccc(-c2cn3c(n2)sc2ccc(C)c(C)c23)cc1 ZINC000040964557 183152280 /nfs/dbraw/zinc/15/22/80/183152280.db2.gz WMSNQSBLZKUPDY-UHFFFAOYSA-N 0 0 322.433 5.232 10 0 DKAERN Cc1c(-c2ccc(C)cc2)nc2sc3ccc(C)c(C)c3n12 ZINC000040964566 183152123 /nfs/dbraw/zinc/15/21/23/183152123.db2.gz ONGWUQACSVKUBX-UHFFFAOYSA-N 0 0 306.434 5.450 10 0 DKAERN Cc1ccc2sc3nc(-c4ccccc4Cl)cn3c2c1C ZINC000040964572 183152416 /nfs/dbraw/zinc/15/24/16/183152416.db2.gz OOSXAIQWGFSFJG-UHFFFAOYSA-N 0 0 312.825 5.486 10 0 DKAERN CCc1ccc(-c2cn3c(n2)sc2ccc(C)c(C)c23)cc1 ZINC000040964584 183152227 /nfs/dbraw/zinc/15/22/27/183152227.db2.gz RULSIOHRQRHNNG-UHFFFAOYSA-N 0 0 306.434 5.395 10 0 DKAERN Cc1ccc(-c2cn3c(n2)sc2ccc(C)c(C)c23)cc1C ZINC000040964596 183152087 /nfs/dbraw/zinc/15/20/87/183152087.db2.gz HURJTMUHZNOERE-UHFFFAOYSA-N 0 0 306.434 5.450 10 0 DKAERN Cc1ccc(C)c(-c2cn3c(n2)sc2ccc(C)c(C)c23)c1 ZINC000040964599 183152127 /nfs/dbraw/zinc/15/21/27/183152127.db2.gz ZPBYRTRJECIJPU-UHFFFAOYSA-N 0 0 306.434 5.450 10 0 DKAERN CCOc1ccccc1-c1cn2c(n1)sc1ccc(C)c(C)c12 ZINC000040964602 183152243 /nfs/dbraw/zinc/15/22/43/183152243.db2.gz PXQXHGMPKUUYRF-UHFFFAOYSA-N 0 0 322.433 5.232 10 0 DKAERN CCCCCCc1nn2cc(-c3ccc(C)cc3C)nc2s1 ZINC000040964792 183152147 /nfs/dbraw/zinc/15/21/47/183152147.db2.gz LSADMDUKCLEZQK-UHFFFAOYSA-N 0 0 313.470 5.197 10 0 DKAERN c1c(-c2ccc3c(c2)CCCC3)nc2sc3ccccc3n12 ZINC000040964822 183152322 /nfs/dbraw/zinc/15/23/22/183152322.db2.gz XWMOPKPWMNLZEL-UHFFFAOYSA-N 0 0 304.418 5.095 10 0 DKAERN Cc1ccc2c(c1)sc1nc(-c3ccc4c(c3)CCCC4)cn21 ZINC000040964828 183152304 /nfs/dbraw/zinc/15/23/04/183152304.db2.gz WLAGLVOZHIRDQF-UHFFFAOYSA-N 0 0 318.445 5.403 10 0 DKAERN CCOc1ccc2c(c1)sc1nc(-c3ccc(C)cc3C)cn21 ZINC000040964840 183152187 /nfs/dbraw/zinc/15/21/87/183152187.db2.gz SDHZQOYNYHCMLN-UHFFFAOYSA-N 0 0 322.433 5.232 10 0 DKAERN Cc1cccc2sc3nc(-c4ccc5c(c4)CCCC5)cn3c21 ZINC000040964845 183152255 /nfs/dbraw/zinc/15/22/55/183152255.db2.gz GKTPPNJZQSBJPP-UHFFFAOYSA-N 0 0 318.445 5.403 10 0 DKAERN Cc1ccc(-c2cn3c(n2)sc2ccc(C)c(C)c23)c(C)c1 ZINC000040964853 183152390 /nfs/dbraw/zinc/15/23/90/183152390.db2.gz DYNBRKQSKCYAAI-UHFFFAOYSA-N 0 0 306.434 5.450 10 0 DKAERN CCC(CC)c1nn2c(C)c(-c3ccc(C)c(C)c3)nc2s1 ZINC000040964885 183152337 /nfs/dbraw/zinc/15/23/37/183152337.db2.gz NLVGGDWKWSRWNO-UHFFFAOYSA-N 0 0 313.470 5.287 10 0 DKAERN Cc1c(-c2ccc(C)c(C)c2)nc2sc3cc(C)ccc3n12 ZINC000040964901 183152219 /nfs/dbraw/zinc/15/22/19/183152219.db2.gz JJKIUGAFYGHMQQ-UHFFFAOYSA-N 0 0 306.434 5.450 10 0 DKAERN COc1ccc2c(c1)sc1nc(-c3ccc(C)c(C)c3)c(C)n21 ZINC000040964904 183152451 /nfs/dbraw/zinc/15/24/51/183152451.db2.gz PZIWTVUGIJIXDD-UHFFFAOYSA-N 0 0 322.433 5.150 10 0 DKAERN Cc1c(-c2ccc(C)c(C)c2)nc2sc3cccc(C)c3n12 ZINC000040964912 183152070 /nfs/dbraw/zinc/15/20/70/183152070.db2.gz QFFSKAISIPZTMY-UHFFFAOYSA-N 0 0 306.434 5.450 10 0 DKAERN Cc1c(-c2ccc(C)c(C)c2)nc2sc3ccc(C)c(C)c3n12 ZINC000040964915 183152431 /nfs/dbraw/zinc/15/24/31/183152431.db2.gz SNBYYUODFOKSDQ-UHFFFAOYSA-N 0 0 320.461 5.758 10 0 DKAERN COc1cccc2sc3nc(-c4ccc(C)c(C)c4)c(C)n3c21 ZINC000040964918 183152343 /nfs/dbraw/zinc/15/23/43/183152343.db2.gz AILSMTGYPRHLCE-UHFFFAOYSA-N 0 0 322.433 5.150 10 0 DKAERN CCCCc1ccc2c(c1)sc1nc(-c3ccccc3)cn21 ZINC000040964924 183152018 /nfs/dbraw/zinc/15/20/18/183152018.db2.gz PBNJNQVHKBDTQP-UHFFFAOYSA-N 0 0 306.434 5.559 10 0 DKAERN CCCCc1ccc2c(c1)sc1nc(-c3ccccc3)c(C)n21 ZINC000040964927 183152229 /nfs/dbraw/zinc/15/22/29/183152229.db2.gz TZHOWAAXORUSQW-UHFFFAOYSA-N 0 0 320.461 5.867 10 0 DKAERN CCCCc1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21 ZINC000040964933 183152348 /nfs/dbraw/zinc/15/23/48/183152348.db2.gz WZKIJRBTOXCOCZ-UHFFFAOYSA-N 0 0 324.424 5.698 10 0 DKAERN Cc1cc(C)c(C(=O)Nc2nc3c(ccc(C)c3C)s2)c(C)c1 ZINC000040965305 183152089 /nfs/dbraw/zinc/15/20/89/183152089.db2.gz XDWUSBVGIVPTBI-UHFFFAOYSA-N 0 0 324.449 5.091 10 0 DKAERN CCCOc1ccc2c(c1)sc1nc(-c3ccccc3)cn21 ZINC000040978479 183154261 /nfs/dbraw/zinc/15/42/61/183154261.db2.gz VDHFZHUBGFTXFF-UHFFFAOYSA-N 0 0 308.406 5.005 10 0 DKAERN CCCOc1ccc2c(c1)sc1nc(-c3ccccc3)c(C)n21 ZINC000040978480 183154648 /nfs/dbraw/zinc/15/46/48/183154648.db2.gz BJSLPYHCVOYHPY-UHFFFAOYSA-N 0 0 322.433 5.313 10 0 DKAERN CCCOc1ccc2c(c1)sc1nc(-c3ccc(C)cc3)cn21 ZINC000040978489 183154514 /nfs/dbraw/zinc/15/45/14/183154514.db2.gz SXANLYKEMQOANV-UHFFFAOYSA-N 0 0 322.433 5.313 10 0 DKAERN Cc1cc2sc(NC(=O)c3c(C)cc(C)cc3C)nc2c(C)c1 ZINC000040979756 183154594 /nfs/dbraw/zinc/15/45/94/183154594.db2.gz MHRNLBSHPTXQOT-UHFFFAOYSA-N 0 0 324.449 5.091 10 0 DKAERN CC(C)Oc1ccc(-c2cn3cc(Cl)cc(Cl)c3n2)cc1 ZINC000040980473 183154150 /nfs/dbraw/zinc/15/41/50/183154150.db2.gz UHIMFKIVPOWXRG-UHFFFAOYSA-N 0 0 321.207 5.095 10 0 DKAERN Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12 ZINC000040980518 183154573 /nfs/dbraw/zinc/15/45/73/183154573.db2.gz YXYDZBDRXLAUHS-UHFFFAOYSA-N 0 0 311.599 5.270 10 0 DKAERN CCOc1ccc(-c2nc3c(Cl)cc(Cl)cn3c2C)cc1 ZINC000040980522 183154345 /nfs/dbraw/zinc/15/43/45/183154345.db2.gz OGARUKFCAPNPTM-UHFFFAOYSA-N 0 0 321.207 5.015 10 0 DKAERN Cc1c(-c2ccc(C)c(C)c2)nc2c(Cl)cc(Cl)cn12 ZINC000040980526 183154422 /nfs/dbraw/zinc/15/44/22/183154422.db2.gz PKMOLLHLJVATBL-UHFFFAOYSA-N 0 0 305.208 5.233 10 0 DKAERN Cc1ccc(CCC(=O)Oc2ccc(C)cc2C(C)(C)C)cc1 ZINC000040994746 183155016 /nfs/dbraw/zinc/15/50/16/183155016.db2.gz ITOJSZCVRYCPJX-UHFFFAOYSA-N 0 0 310.437 5.139 10 0 DKAERN CC(C)(C)c1ccccc1OC(=O)CCc1ccc(Cl)cc1 ZINC000040995301 183155474 /nfs/dbraw/zinc/15/54/74/183155474.db2.gz IQSDYPKLONFHMO-UHFFFAOYSA-N 0 0 316.828 5.176 10 0 DKAERN Cc1cc(OC(=O)CCc2ccc(Cl)cc2)cc(C)c1Cl ZINC000040995319 183155075 /nfs/dbraw/zinc/15/50/75/183155075.db2.gz TXIYSCYWZUWUDC-UHFFFAOYSA-N 0 0 323.219 5.148 10 0 DKAERN Cc1cccc(C)c1OC(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000040995782 183154974 /nfs/dbraw/zinc/15/49/74/183154974.db2.gz CAVQECJHIFGXBU-UHFFFAOYSA-N 0 0 310.437 5.139 10 0 DKAERN CCOc1cc(-c2nc3ccccc3[nH]2)ccc1OCCC(C)C ZINC000041005155 183155407 /nfs/dbraw/zinc/15/54/07/183155407.db2.gz ZRRAGTMXQDXUKO-UHFFFAOYSA-N 0 0 324.424 5.054 10 0 DKAERN Cc1ccccc1COc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000041005174 183155202 /nfs/dbraw/zinc/15/52/02/183155202.db2.gz ZKZWFIJLBZTPHN-UHFFFAOYSA-N 0 0 314.388 5.117 10 0 DKAERN Cc1ccccc1COc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000041005198 183154932 /nfs/dbraw/zinc/15/49/32/183154932.db2.gz WGJCONSDYXGJHE-UHFFFAOYSA-N 0 0 314.388 5.117 10 0 DKAERN Cc1ccccc1COc1ccccc1-c1nc2ccccc2[nH]1 ZINC000041005206 183155148 /nfs/dbraw/zinc/15/51/48/183155148.db2.gz YMLISNKSBCDJLX-UHFFFAOYSA-N 0 0 314.388 5.117 10 0 DKAERN Cc1ccc2[nH]c(-c3cccc(Oc4ccccc4)c3)nc2c1 ZINC000041005826 183155958 /nfs/dbraw/zinc/15/59/58/183155958.db2.gz BBHFRZGWKQYCHP-UHFFFAOYSA-N 0 0 300.361 5.331 10 0 DKAERN Cc1ccc2[nH]c(-c3cccc(OCc4ccccc4)c3)nc2c1 ZINC000041005828 183155877 /nfs/dbraw/zinc/15/58/77/183155877.db2.gz WNQQJJPQIRESFM-UHFFFAOYSA-N 0 0 314.388 5.117 10 0 DKAERN Cc1ccc2[nH]c(-c3ccccc3OCc3ccccc3)nc2c1 ZINC000041005857 183155682 /nfs/dbraw/zinc/15/56/82/183155682.db2.gz MSJIDCSDZYMASJ-UHFFFAOYSA-N 0 0 314.388 5.117 10 0 DKAERN Cc1ccc2[nH]c(-c3ccc(OCc4ccccc4)cc3)nc2c1 ZINC000041005871 183155817 /nfs/dbraw/zinc/15/58/17/183155817.db2.gz DMKQILAKYINOFA-UHFFFAOYSA-N 0 0 314.388 5.117 10 0 DKAERN CCOc1ccc2ccccc2c1-c1nc2cc(C)ccc2[nH]1 ZINC000041005907 183155923 /nfs/dbraw/zinc/15/59/23/183155923.db2.gz LRNPOXRLGXYECP-UHFFFAOYSA-N 0 0 302.377 5.090 10 0 DKAERN CCCCCCOc1ccc(-c2nc3cc(C)ccc3[nH]2)cc1 ZINC000041006058 183155739 /nfs/dbraw/zinc/15/57/39/183155739.db2.gz CTEZLUBMIWKNJX-UHFFFAOYSA-N 0 0 308.425 5.497 10 0 DKAERN O=C(Oc1cccc(Cl)c1)c1sc2ccccc2c1Cl ZINC000041007561 183155689 /nfs/dbraw/zinc/15/56/89/183155689.db2.gz VYYLBTPWNDNSIK-UHFFFAOYSA-N 0 0 323.200 5.427 10 0 DKAERN CCc1ccc(C(=O)NC2CCCCCCCCCCC2)cc1 ZINC000041008123 183156014 /nfs/dbraw/zinc/15/60/14/183156014.db2.gz HXQWNESPYPFWLK-UHFFFAOYSA-N 0 0 315.501 5.652 10 0 DKAERN CCCCCOc1ccc(NC(=O)c2ccc(CC)cc2)cc1 ZINC000041008129 183155814 /nfs/dbraw/zinc/15/58/14/183155814.db2.gz SDCRXJCNTUGCIR-UHFFFAOYSA-N 0 0 311.425 5.070 10 0 DKAERN CCc1ccc(C(=O)Oc2ccccc2-c2ccccc2)cc1 ZINC000041008258 183155829 /nfs/dbraw/zinc/15/58/29/183155829.db2.gz OQNNNGQWIHZSRA-UHFFFAOYSA-N 0 0 302.373 5.135 10 0 DKAERN CCc1ccc(C(=O)Oc2ccc(-c3ccc(C)cc3)cc2)cc1 ZINC000041008266 183156022 /nfs/dbraw/zinc/15/60/22/183156022.db2.gz SRHNLHXQEKIODM-UHFFFAOYSA-N 0 0 316.400 5.444 10 0 DKAERN Cc1ccc(Nc2ccnc3ccc(C(F)(F)F)cc32)cc1 ZINC000041054637 183159414 /nfs/dbraw/zinc/15/94/14/183159414.db2.gz GZRMKQJYSRJLHQ-UHFFFAOYSA-N 0 0 302.299 5.306 10 0 DKAERN COc1ccc(Nc2ccnc3ccc(C(F)(F)F)cc32)cc1 ZINC000041054641 183159294 /nfs/dbraw/zinc/15/92/94/183159294.db2.gz RGDRBVDUBYFGPP-UHFFFAOYSA-N 0 0 318.298 5.006 10 0 DKAERN COc1ccccc1Nc1ccnc2ccc(C(F)(F)F)cc21 ZINC000041054645 183158977 /nfs/dbraw/zinc/15/89/77/183158977.db2.gz AVGJATGDYMQGAQ-UHFFFAOYSA-N 0 0 318.298 5.006 10 0 DKAERN Cc1ccccc1Nc1ccnc2ccc(C(F)(F)F)cc21 ZINC000041054655 183158991 /nfs/dbraw/zinc/15/89/91/183158991.db2.gz CMNCJYQUGMOVOP-UHFFFAOYSA-N 0 0 302.299 5.306 10 0 DKAERN FC(F)(F)c1ccc2nccc(Nc3ccccc3Cl)c2c1 ZINC000041054659 183159182 /nfs/dbraw/zinc/15/91/82/183159182.db2.gz QIXNDHJXRNXQFY-UHFFFAOYSA-N 0 0 322.717 5.651 10 0 DKAERN FC(F)(F)c1ccc2nccc(Nc3cccc(Cl)c3)c2c1 ZINC000041054665 183159558 /nfs/dbraw/zinc/15/95/58/183159558.db2.gz FJHQOUCMDMCOGJ-UHFFFAOYSA-N 0 0 322.717 5.651 10 0 DKAERN Cc1cccc(Nc2ccnc3ccc(C(F)(F)F)cc32)c1 ZINC000041054667 183159035 /nfs/dbraw/zinc/15/90/35/183159035.db2.gz RHKCEJQHQDAOTG-UHFFFAOYSA-N 0 0 302.299 5.306 10 0 DKAERN Cc1cc(C)cc(Nc2ccnc3ccc(C(F)(F)F)cc32)c1 ZINC000041054669 183159614 /nfs/dbraw/zinc/15/96/14/183159614.db2.gz RWBPHGAESQUKBC-UHFFFAOYSA-N 0 0 316.326 5.614 10 0 DKAERN Fc1ccccc1Nc1ccnc2ccc(C(F)(F)F)cc21 ZINC000041054677 183159601 /nfs/dbraw/zinc/15/96/01/183159601.db2.gz PLMGRRUULBPWDS-UHFFFAOYSA-N 0 0 306.262 5.136 10 0 DKAERN Fc1ccc(Nc2ccnc3ccc(C(F)(F)F)cc32)c(F)c1 ZINC000041054679 183159323 /nfs/dbraw/zinc/15/93/23/183159323.db2.gz CXFOBOVQVRXGAT-UHFFFAOYSA-N 0 0 324.252 5.275 10 0 DKAERN Fc1ccc(Nc2ccnc3ccc(C(F)(F)F)cc32)cc1 ZINC000041054681 183159629 /nfs/dbraw/zinc/15/96/29/183159629.db2.gz GZIHWYURAWZUJY-UHFFFAOYSA-N 0 0 306.262 5.136 10 0 DKAERN COc1cccc(Nc2ccnc3ccc(C(F)(F)F)cc32)c1 ZINC000041054683 183159170 /nfs/dbraw/zinc/15/91/70/183159170.db2.gz QCLGALJLEXYFKZ-UHFFFAOYSA-N 0 0 318.298 5.006 10 0 DKAERN CCc1ccccc1Nc1ccnc2ccc(C(F)(F)F)cc21 ZINC000041054685 183159196 /nfs/dbraw/zinc/15/91/96/183159196.db2.gz FXLILPFPTWCPFH-UHFFFAOYSA-N 0 0 316.326 5.560 10 0 DKAERN Cc1cccc(Nc2ccnc3ccc(C(F)(F)F)cc32)c1C ZINC000041054688 183158879 /nfs/dbraw/zinc/15/88/79/183158879.db2.gz YXHDGPBHAIWHKE-UHFFFAOYSA-N 0 0 316.326 5.614 10 0 DKAERN Cc1ccc(Nc2ccnc3ccc(C(F)(F)F)cc32)c(C)c1 ZINC000041054694 183158782 /nfs/dbraw/zinc/15/87/82/183158782.db2.gz NBQKNUAQHNMDIV-UHFFFAOYSA-N 0 0 316.326 5.614 10 0 DKAERN Fc1cc(F)cc(Nc2ccnc3ccc(C(F)(F)F)cc32)c1 ZINC000041054720 183159656 /nfs/dbraw/zinc/15/96/56/183159656.db2.gz XAWOSJKYIINSDV-UHFFFAOYSA-N 0 0 324.252 5.275 10 0 DKAERN FC(F)(F)c1ccc2nccc(Nc3ccc(Cl)cc3)c2c1 ZINC000041054722 183158826 /nfs/dbraw/zinc/15/88/26/183158826.db2.gz PQGZOMZKPSGRBF-UHFFFAOYSA-N 0 0 322.717 5.651 10 0 DKAERN Cc1ccc(Nc2ccnc3cc(C(F)(F)F)ccc32)cc1 ZINC000041054830 183159086 /nfs/dbraw/zinc/15/90/86/183159086.db2.gz IXLADKVQOLVKCX-UHFFFAOYSA-N 0 0 302.299 5.306 10 0 DKAERN COc1ccc(Nc2ccnc3cc(C(F)(F)F)ccc32)cc1 ZINC000041054831 183159611 /nfs/dbraw/zinc/15/96/11/183159611.db2.gz IIPSLQKWMVVTCI-UHFFFAOYSA-N 0 0 318.298 5.006 10 0 DKAERN COc1ccccc1Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000041054835 183158889 /nfs/dbraw/zinc/15/88/89/183158889.db2.gz KZRWJWZCNXXUGM-UHFFFAOYSA-N 0 0 318.298 5.006 10 0 DKAERN Cc1ccccc1Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000041054844 183159377 /nfs/dbraw/zinc/15/93/77/183159377.db2.gz GHIRINBYXYZFAL-UHFFFAOYSA-N 0 0 302.299 5.306 10 0 DKAERN FC(F)(F)c1ccc2c(c1)nccc2Nc1ccccc1Cl ZINC000041054848 183159642 /nfs/dbraw/zinc/15/96/42/183159642.db2.gz VYYGJAAOSXGGRF-UHFFFAOYSA-N 0 0 322.717 5.651 10 0 DKAERN FC(F)(F)c1ccc2c(c1)nccc2Nc1cccc(Cl)c1 ZINC000041054854 183158842 /nfs/dbraw/zinc/15/88/42/183158842.db2.gz GUYPHHNGLTYYRX-UHFFFAOYSA-N 0 0 322.717 5.651 10 0 DKAERN Cc1cccc(Nc2ccnc3cc(C(F)(F)F)ccc32)c1 ZINC000041054856 183159025 /nfs/dbraw/zinc/15/90/25/183159025.db2.gz VWGGFRDSUJKUKP-UHFFFAOYSA-N 0 0 302.299 5.306 10 0 DKAERN Cc1cc(C)cc(Nc2ccnc3cc(C(F)(F)F)ccc32)c1 ZINC000041054858 183159674 /nfs/dbraw/zinc/15/96/74/183159674.db2.gz BZZWYJMNVJQBHV-UHFFFAOYSA-N 0 0 316.326 5.614 10 0 DKAERN Fc1ccccc1Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000041054866 183158849 /nfs/dbraw/zinc/15/88/49/183158849.db2.gz JBQMATNVSRZTLB-UHFFFAOYSA-N 0 0 306.262 5.136 10 0 DKAERN Fc1ccc(Nc2ccnc3cc(C(F)(F)F)ccc32)c(F)c1 ZINC000041054868 183159523 /nfs/dbraw/zinc/15/95/23/183159523.db2.gz WOMCHWBKAMLAGZ-UHFFFAOYSA-N 0 0 324.252 5.275 10 0 DKAERN Fc1ccc(Nc2ccnc3cc(C(F)(F)F)ccc32)cc1 ZINC000041054870 183159634 /nfs/dbraw/zinc/15/96/34/183159634.db2.gz HNGPLDKGEJHBHX-UHFFFAOYSA-N 0 0 306.262 5.136 10 0 DKAERN COc1cccc(Nc2ccnc3cc(C(F)(F)F)ccc32)c1 ZINC000041054872 183159514 /nfs/dbraw/zinc/15/95/14/183159514.db2.gz LZQYCPFSPVHLCY-UHFFFAOYSA-N 0 0 318.298 5.006 10 0 DKAERN CCc1ccccc1Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000041054874 183158969 /nfs/dbraw/zinc/15/89/69/183158969.db2.gz ZNCDIPMCWVFQQQ-UHFFFAOYSA-N 0 0 316.326 5.560 10 0 DKAERN Cc1cccc(Nc2ccnc3cc(C(F)(F)F)ccc32)c1C ZINC000041054878 183159011 /nfs/dbraw/zinc/15/90/11/183159011.db2.gz JWCDGQUZMGMKPB-UHFFFAOYSA-N 0 0 316.326 5.614 10 0 DKAERN Cc1ccc(Nc2ccnc3cc(C(F)(F)F)ccc32)c(C)c1 ZINC000041054884 183158798 /nfs/dbraw/zinc/15/87/98/183158798.db2.gz QONGWUGDTHSXPP-UHFFFAOYSA-N 0 0 316.326 5.614 10 0 DKAERN Fc1cc(F)cc(Nc2ccnc3cc(C(F)(F)F)ccc32)c1 ZINC000041054908 183159121 /nfs/dbraw/zinc/15/91/21/183159121.db2.gz IJODXMVTBXGNKH-UHFFFAOYSA-N 0 0 324.252 5.275 10 0 DKAERN FC(F)(F)c1ccc2c(c1)nccc2Nc1ccc(Cl)cc1 ZINC000041054910 183159593 /nfs/dbraw/zinc/15/95/93/183159593.db2.gz BLXJNQVLOSWOLD-UHFFFAOYSA-N 0 0 322.717 5.651 10 0 DKAERN Clc1ccc2c(c1)nccc2Nc1cccc2ccccc21 ZINC000041055049 183159504 /nfs/dbraw/zinc/15/95/04/183159504.db2.gz SQDUSAGFODETGU-UHFFFAOYSA-N 0 0 304.780 5.785 10 0 DKAERN Cc1cc(Cl)ccc1Nc1ccnc2cc(Cl)ccc21 ZINC000041055053 183158903 /nfs/dbraw/zinc/15/89/03/183158903.db2.gz MDORUXATAMPEBA-UHFFFAOYSA-N 0 0 303.192 5.594 10 0 DKAERN Cc1c(Cl)cccc1Nc1ccnc2cc(Cl)ccc21 ZINC000041055080 183159092 /nfs/dbraw/zinc/15/90/92/183159092.db2.gz JGUXUHXTNZMKNF-UHFFFAOYSA-N 0 0 303.192 5.594 10 0 DKAERN FC(F)(F)c1ccccc1Nc1ccnc2cc(Cl)ccc21 ZINC000041055081 183158963 /nfs/dbraw/zinc/15/89/63/183158963.db2.gz XIYWDMQDQKXOMR-UHFFFAOYSA-N 0 0 322.717 5.651 10 0 DKAERN FC(F)(F)c1cccc(Nc2ccnc3cc(Cl)ccc32)c1 ZINC000041055083 183159431 /nfs/dbraw/zinc/15/94/31/183159431.db2.gz SLBTVPWSHPOYMT-UHFFFAOYSA-N 0 0 322.717 5.651 10 0 DKAERN FC(F)(F)c1ccc(Nc2ccnc3cc(Cl)ccc32)cc1 ZINC000041055093 183159165 /nfs/dbraw/zinc/15/91/65/183159165.db2.gz SOIWWQKJXGXAFN-UHFFFAOYSA-N 0 0 322.717 5.651 10 0 DKAERN Cc1cccc2c(Nc3ccc(Br)cc3)ccnc12 ZINC000041055125 183158915 /nfs/dbraw/zinc/15/89/15/183158915.db2.gz GAPZIKLPWDBYIB-UHFFFAOYSA-N 0 0 313.198 5.049 10 0 DKAERN Cc1cccc2c(Nc3cccc(Br)c3)ccnc12 ZINC000041055129 183158920 /nfs/dbraw/zinc/15/89/20/183158920.db2.gz XMEZNTHNSGOEEL-UHFFFAOYSA-N 0 0 313.198 5.049 10 0 DKAERN Cc1cccc2c(Nc3ccccc3C(F)(F)F)ccnc12 ZINC000041055175 183159662 /nfs/dbraw/zinc/15/96/62/183159662.db2.gz WYFDIYGMHNVGGD-UHFFFAOYSA-N 0 0 302.299 5.306 10 0 DKAERN Cc1cccc2c(Nc3cccc(C(F)(F)F)c3)ccnc12 ZINC000041055179 183159435 /nfs/dbraw/zinc/15/94/35/183159435.db2.gz MNUARXYHCHPEHL-UHFFFAOYSA-N 0 0 302.299 5.306 10 0 DKAERN Cc1cccc2c(Nc3ccc(C(F)(F)F)cc3)ccnc12 ZINC000041055190 183159394 /nfs/dbraw/zinc/15/93/94/183159394.db2.gz KSUGMDONIIFGRA-UHFFFAOYSA-N 0 0 302.299 5.306 10 0 DKAERN Cc1cccc2c(Nc3ccccc3Br)ccnc12 ZINC000041055194 183159569 /nfs/dbraw/zinc/15/95/69/183159569.db2.gz AUMBZZDYLCRMTL-UHFFFAOYSA-N 0 0 313.198 5.049 10 0 DKAERN Cc1ccc(Nc2ccnc3ccc(Br)cc32)cc1 ZINC000041055215 183159586 /nfs/dbraw/zinc/15/95/86/183159586.db2.gz CKMVTFRWPJFLAM-UHFFFAOYSA-N 0 0 313.198 5.049 10 0 DKAERN Cc1ccccc1Nc1ccnc2ccc(Br)cc21 ZINC000041055233 183160408 /nfs/dbraw/zinc/16/04/08/183160408.db2.gz QHGODQJFVQNNCI-UHFFFAOYSA-N 0 0 313.198 5.049 10 0 DKAERN Cc1cccc(Nc2ccnc3ccc(Br)cc32)c1 ZINC000041055244 183160426 /nfs/dbraw/zinc/16/04/26/183160426.db2.gz QSMVVTWWPIADGM-UHFFFAOYSA-N 0 0 313.198 5.049 10 0 DKAERN COc1ccc2nccc(Nc3cccc4ccccc43)c2c1 ZINC000041055420 183160155 /nfs/dbraw/zinc/16/01/55/183160155.db2.gz SMZNTVJGLFSOAE-UHFFFAOYSA-N 0 0 300.361 5.140 10 0 DKAERN COc1ccc2nccc(Nc3ccccc3C(F)(F)F)c2c1 ZINC000041055463 183160220 /nfs/dbraw/zinc/16/02/20/183160220.db2.gz FEBMENDGZOYGRJ-UHFFFAOYSA-N 0 0 318.298 5.006 10 0 DKAERN COc1ccc2nccc(Nc3cccc(C(F)(F)F)c3)c2c1 ZINC000041055467 183160130 /nfs/dbraw/zinc/16/01/30/183160130.db2.gz AFSOTPWJEZHLKG-UHFFFAOYSA-N 0 0 318.298 5.006 10 0 DKAERN COc1ccc2nccc(Nc3ccc(C(F)(F)F)cc3)c2c1 ZINC000041055478 183160459 /nfs/dbraw/zinc/16/04/59/183160459.db2.gz CZDZFSHOQIGCDO-UHFFFAOYSA-N 0 0 318.298 5.006 10 0 DKAERN Cc1cc(Cl)ccc1Nc1ccnc2c(C)c(Cl)ccc12 ZINC000041055506 183160331 /nfs/dbraw/zinc/16/03/31/183160331.db2.gz VYRCXZHSHHLGRP-UHFFFAOYSA-N 0 0 317.219 5.902 10 0 DKAERN Cc1cc(Br)ccc1Nc1ccnc2ccccc21 ZINC000041055559 183160055 /nfs/dbraw/zinc/16/00/55/183160055.db2.gz HPBMWJWQGYMTMC-UHFFFAOYSA-N 0 0 313.198 5.049 10 0 DKAERN Cc1ccc2nccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2c1 ZINC000041057325 183160244 /nfs/dbraw/zinc/16/02/44/183160244.db2.gz CMWFZUSOZGVSEX-UHFFFAOYSA-N 0 0 318.420 5.093 10 0 DKAERN Cc1cccc2c(NC(=O)c3ccc(C(C)(C)C)cc3)ccnc12 ZINC000041057880 183160965 /nfs/dbraw/zinc/16/09/65/183160965.db2.gz SEDKJEHADMWZSG-UHFFFAOYSA-N 0 0 318.420 5.093 10 0 DKAERN c1ccc(Nc2nc3ccccc3c(NC3CCCCC3)n2)cc1 ZINC000041152576 183178242 /nfs/dbraw/zinc/17/82/42/183178242.db2.gz DOLOWEYJQGLHNQ-UHFFFAOYSA-N 0 0 318.424 5.118 10 0 DKAERN CC(=O)c1cc(Cl)ccc1OCc1ccc(C(C)C)cc1 ZINC000041516603 183196996 /nfs/dbraw/zinc/19/69/96/183196996.db2.gz BZWVKDZNYMJUER-UHFFFAOYSA-N 0 0 302.801 5.245 10 0 DKAERN CC(=O)c1cc(Cl)ccc1OCc1c(C)cc(C)cc1C ZINC000041516643 183196425 /nfs/dbraw/zinc/19/64/25/183196425.db2.gz LCGDPMDEDMHBAY-UHFFFAOYSA-N 0 0 302.801 5.047 10 0 DKAERN CC(C)c1ccc(COc2ccc(Cl)cc2[C@@H](C)O)cc1 ZINC000041531519 183198864 /nfs/dbraw/zinc/19/88/64/183198864.db2.gz KBTGNXHGEUOVIC-CYBMUJFWSA-N 0 0 304.817 5.096 10 0 DKAERN CC(C)c1ccc(COc2ccc(Cl)cc2[C@H](C)O)cc1 ZINC000041531522 183198657 /nfs/dbraw/zinc/19/86/57/183198657.db2.gz KBTGNXHGEUOVIC-ZDUSSCGKSA-N 0 0 304.817 5.096 10 0 DKAERN Cc1ccc(OCCNc2ccc(Cl)c(Cl)c2)cc1C ZINC000041544740 183201727 /nfs/dbraw/zinc/20/17/27/183201727.db2.gz VVJUIFFNVQEKGX-UHFFFAOYSA-N 0 0 310.224 5.101 10 0 DKAERN Cc1ccc(OCCNc2ccc(Cl)cc2Cl)cc1C ZINC000041544744 183201853 /nfs/dbraw/zinc/20/18/53/183201853.db2.gz JWEIOBKDVAXSSJ-UHFFFAOYSA-N 0 0 310.224 5.101 10 0 DKAERN Cc1ccc(OCCNc2cc(Cl)ccc2Cl)cc1C ZINC000041544747 183201816 /nfs/dbraw/zinc/20/18/16/183201816.db2.gz ROVBWMNFGBASNZ-UHFFFAOYSA-N 0 0 310.224 5.101 10 0 DKAERN Cc1ccc(OCCNc2cc(Cl)cc(Cl)c2)cc1C ZINC000041544750 183201803 /nfs/dbraw/zinc/20/18/03/183201803.db2.gz VUMWGKDXJBYILG-UHFFFAOYSA-N 0 0 310.224 5.101 10 0 DKAERN Cc1ccc(OCCNc2cccc(Cl)c2Cl)cc1C ZINC000041544753 183201802 /nfs/dbraw/zinc/20/18/02/183201802.db2.gz YHEPKUONBDCSSD-UHFFFAOYSA-N 0 0 310.224 5.101 10 0 DKAERN Cc1cc(C)cc(OCCNc2ccc(Cl)c(Cl)c2)c1 ZINC000041544756 183201711 /nfs/dbraw/zinc/20/17/11/183201711.db2.gz AEWSFBOSJDJPRP-UHFFFAOYSA-N 0 0 310.224 5.101 10 0 DKAERN Cc1cc(C)cc(OCCNc2ccc(Cl)cc2Cl)c1 ZINC000041544758 183201699 /nfs/dbraw/zinc/20/16/99/183201699.db2.gz IQYOBUIAVLXGIF-UHFFFAOYSA-N 0 0 310.224 5.101 10 0 DKAERN Cc1cc(C)cc(OCCNc2cc(Cl)ccc2Cl)c1 ZINC000041544761 183201856 /nfs/dbraw/zinc/20/18/56/183201856.db2.gz WEODNJJODJDJNK-UHFFFAOYSA-N 0 0 310.224 5.101 10 0 DKAERN Cc1cc(C)cc(OCCNc2cc(Cl)cc(Cl)c2)c1 ZINC000041544765 183201792 /nfs/dbraw/zinc/20/17/92/183201792.db2.gz FMMISBPAYFKBCB-UHFFFAOYSA-N 0 0 310.224 5.101 10 0 DKAERN Cc1cc(C)cc(OCCNc2cccc(Cl)c2Cl)c1 ZINC000041544767 183201773 /nfs/dbraw/zinc/20/17/73/183201773.db2.gz NAGFJEDUCJPSKV-UHFFFAOYSA-N 0 0 310.224 5.101 10 0 DKAERN CC(C)(C)c1ccc(OCCNc2ccccc2Cl)cc1 ZINC000041570976 183205511 /nfs/dbraw/zinc/20/55/11/183205511.db2.gz IHUBRRXSJZKDHS-UHFFFAOYSA-N 0 0 303.833 5.128 10 0 DKAERN Cc1ccccc1CNc1ccc(OCc2ccccc2)cc1 ZINC000041579062 183206374 /nfs/dbraw/zinc/20/63/74/183206374.db2.gz CUMJCXKCOXRCRD-UHFFFAOYSA-N 0 0 303.405 5.186 10 0 DKAERN CC(C)(C)c1ccc(OCCNc2ccc(Cl)cc2)cc1 ZINC000041579617 183206444 /nfs/dbraw/zinc/20/64/44/183206444.db2.gz FTDZXKHWQTZPBM-UHFFFAOYSA-N 0 0 303.833 5.128 10 0 DKAERN C[C@H](Nc1ncc(Cl)cc1Cl)c1ccc(Cl)s1 ZINC000042240378 336237772 /nfs/dbraw/zinc/23/77/72/336237772.db2.gz YIWDKZCKSSANMG-LURJTMIESA-N 0 0 307.633 5.276 10 0 DKAERN C[C@@H](Nc1ncc(Cl)cc1Cl)c1ccc(Cl)s1 ZINC000042240379 336237798 /nfs/dbraw/zinc/23/77/98/336237798.db2.gz YIWDKZCKSSANMG-ZCFIWIBFSA-N 0 0 307.633 5.276 10 0 DKAERN C[C@H]([NH2+]Cc1ccc(F)cc1Cl)c1ccc(Cl)s1 ZINC000042269388 336238375 /nfs/dbraw/zinc/23/83/75/336238375.db2.gz QKZAIZOWYCXMHU-QMMMGPOBSA-N 0 0 304.217 5.045 10 0 DKAERN C[C@@H]([NH2+]Cc1ccc(F)cc1Cl)c1ccc(Cl)s1 ZINC000042269390 336238339 /nfs/dbraw/zinc/23/83/39/336238339.db2.gz QKZAIZOWYCXMHU-MRVPVSSYSA-N 0 0 304.217 5.045 10 0 DKAERN Brc1ccccc1N[C@@H](c1cccs1)C1CC1 ZINC000042328503 183255495 /nfs/dbraw/zinc/25/54/95/183255495.db2.gz QAMNIBHYPFHBLX-CQSZACIVSA-N 0 0 308.244 5.074 10 0 DKAERN Brc1ccccc1N[C@H](c1cccs1)C1CC1 ZINC000042328506 183254974 /nfs/dbraw/zinc/25/49/74/183254974.db2.gz QAMNIBHYPFHBLX-AWEZNQCLSA-N 0 0 308.244 5.074 10 0 DKAERN Brc1ccc(N[C@@H](c2cccs2)C2CC2)cc1 ZINC000042328509 183254943 /nfs/dbraw/zinc/25/49/43/183254943.db2.gz DDIXYKZYKJXWRH-CQSZACIVSA-N 0 0 308.244 5.074 10 0 DKAERN Brc1ccc(N[C@H](c2cccs2)C2CC2)cc1 ZINC000042328511 183255125 /nfs/dbraw/zinc/25/51/25/183255125.db2.gz DDIXYKZYKJXWRH-AWEZNQCLSA-N 0 0 308.244 5.074 10 0 DKAERN Brc1cccc(N[C@@H](c2cccs2)C2CC2)c1 ZINC000042328514 183254896 /nfs/dbraw/zinc/25/48/96/183254896.db2.gz XGYDKCMIVGAVOR-CQSZACIVSA-N 0 0 308.244 5.074 10 0 DKAERN Brc1cccc(N[C@H](c2cccs2)C2CC2)c1 ZINC000042328517 183255135 /nfs/dbraw/zinc/25/51/35/183255135.db2.gz XGYDKCMIVGAVOR-AWEZNQCLSA-N 0 0 308.244 5.074 10 0 DKAERN O[C@H](c1cc(Cl)sc1Cl)c1csc2ccccc21 ZINC000042892382 183316780 /nfs/dbraw/zinc/31/67/80/183316780.db2.gz FFNNNIIORGSCSL-GFCCVEGCSA-N 0 0 315.246 5.351 10 0 DKAERN O[C@@H](c1cc(Cl)sc1Cl)c1csc2ccccc21 ZINC000042892387 183316561 /nfs/dbraw/zinc/31/65/61/183316561.db2.gz FFNNNIIORGSCSL-LBPRGKRZSA-N 0 0 315.246 5.351 10 0 DKAERN Cc1cc(O)cc2c1[C@]1(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1C2 ZINC000043154454 183341223 /nfs/dbraw/zinc/34/12/23/183341223.db2.gz ZAZRBTKHYPRONZ-GKJHBJHPSA-N 0 0 312.497 5.757 10 0 DKAERN Cc1cc(O)cc2c1[C@]1(C)CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]1C2 ZINC000043154455 183341454 /nfs/dbraw/zinc/34/14/54/183341454.db2.gz ZAZRBTKHYPRONZ-RPHTVSPISA-N 0 0 312.497 5.757 10 0 DKAERN Clc1cc2cc(Cl)c(Cl)c(Cl)c2cc1Cl ZINC000043482209 183365558 /nfs/dbraw/zinc/36/55/58/183365558.db2.gz MKCASBPTHPJCDC-UHFFFAOYSA-N 0 0 300.399 6.107 10 0 DKAERN CCCC[C@@H](CC)C(C)(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000044069217 257129428 /nfs/dbraw/zinc/12/94/28/257129428.db2.gz ABRADVUGDJXESM-MRXNPFEDSA-N 0 0 312.453 5.620 10 0 DKAERN CCCC[C@H](CC)C(C)(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000044069222 257129781 /nfs/dbraw/zinc/12/97/81/257129781.db2.gz ABRADVUGDJXESM-INIZCTEOSA-N 0 0 312.453 5.620 10 0 DKAERN CN(Cc1cccc2ccccc21)c1ccc(C(C)(C)C)cc1 ZINC000044075586 257130084 /nfs/dbraw/zinc/13/00/84/257130084.db2.gz GASXBMZTWKMIJJ-UHFFFAOYSA-N 0 0 303.449 5.774 10 0 DKAERN FC(F)(F)c1ccccc1-c1ccc(Br)s1 ZINC000044120977 183395090 /nfs/dbraw/zinc/39/50/90/183395090.db2.gz XGFWJBITBNFKFC-UHFFFAOYSA-N 0 0 307.134 5.196 10 0 DKAERN CCCCCc1ccc(OC(=O)C2CCC(CCC)CC2)cc1 ZINC000044137142 257129816 /nfs/dbraw/zinc/12/98/16/257129816.db2.gz ASFHPAUFWGSVGY-UHFFFAOYSA-N 0 0 316.485 5.931 10 0 DKAERN Cc1ccc(CN[C@@H](C)c2c(Cl)ccc(F)c2Cl)s1 ZINC000048327233 333585442 /nfs/dbraw/zinc/58/54/42/333585442.db2.gz JDCKGUXYJMDFQH-VIFPVBQESA-N 0 0 318.244 5.353 10 0 DKAERN CCCCSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1 ZINC000048512993 563466508 /nfs/dbraw/zinc/46/65/08/563466508.db2.gz VMRCTCCZHHLSMM-UHFFFAOYSA-N 0 0 323.465 5.135 10 0 DKAERN O=C(Nc1ccccc1F)N(C1CCCCC1)C1CCCCC1 ZINC000048520903 563923827 /nfs/dbraw/zinc/92/38/27/563923827.db2.gz CYDDMJVFFHMBSA-UHFFFAOYSA-N 0 0 318.436 5.325 10 0 DKAERN O=C1C[C@@H](c2ccccc2Cl)O[C@H](c2ccccc2Cl)C1 ZINC000048523808 563923966 /nfs/dbraw/zinc/92/39/66/563923966.db2.gz SGCGEUVRLVUDGX-IRXDYDNUSA-N 0 0 321.203 5.155 10 0 DKAERN CC/C(=C\c1ccc(C(C)C)cc1)C(=O)Nc1ccc(OC)cc1 ZINC000048533891 563924005 /nfs/dbraw/zinc/92/40/05/563924005.db2.gz GGEIILBSOIGRBG-SAPNQHFASA-N 0 0 323.436 5.251 10 0 DKAERN O=C(/C=C/c1ccc(-c2cccc(Cl)c2)o1)Nc1ccccc1 ZINC000048534121 563698792 /nfs/dbraw/zinc/69/87/92/563698792.db2.gz PRIUHOAJPDJUGU-ZRDIBKRKSA-N 0 0 323.779 5.252 10 0 DKAERN Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)s2)cc1 ZINC000048534214 563924055 /nfs/dbraw/zinc/92/40/55/563924055.db2.gz VIBFCXGVVNWPLV-WYMLVPIESA-N 0 0 319.429 5.375 10 0 DKAERN Cc1ccc(NC(=O)/C=C/c2cc(-c3ccccc3)cs2)cc1 ZINC000048534530 563924070 /nfs/dbraw/zinc/92/40/70/563924070.db2.gz VSMHVWQHKATNQS-VAWYXSNFSA-N 0 0 319.429 5.375 10 0 DKAERN O=C(/C=C/c1cc(-c2ccccc2)cs1)Nc1ccccc1 ZINC000048534543 563698636 /nfs/dbraw/zinc/69/86/36/563698636.db2.gz OHFCVYFGZVUUDA-VAWYXSNFSA-N 0 0 305.402 5.067 10 0 DKAERN C[C@H](NCc1ccc(F)c(F)c1)c1cc(Cl)ccc1Cl ZINC000049577257 334351390 /nfs/dbraw/zinc/35/13/90/334351390.db2.gz LGVJWHXOCMZRRM-VIFPVBQESA-N 0 0 316.178 5.122 10 0 DKAERN C[C@@H](NCc1ccc(F)c(F)c1)c1cc(Cl)ccc1Cl ZINC000049577258 334351284 /nfs/dbraw/zinc/35/12/84/334351284.db2.gz LGVJWHXOCMZRRM-SECBINFHSA-N 0 0 316.178 5.122 10 0 DKAERN Cc1cc(Cl)ccc1Nc1ccnc2c(F)cc(F)cc12 ZINC000054202457 183929650 /nfs/dbraw/zinc/92/96/50/183929650.db2.gz QZSZKRNKNYLZES-UHFFFAOYSA-N 0 0 304.727 5.218 10 0 DKAERN Cc1cc2sc3nc(-c4ccc(Cl)cc4)cn3c2cc1C ZINC000054643873 183947013 /nfs/dbraw/zinc/94/70/13/183947013.db2.gz CRTXQNPWJKOWNJ-UHFFFAOYSA-N 0 0 312.825 5.486 10 0 DKAERN Cc1c(-c2ccc(C)cc2)nc2sc3cc(C)c(C)cc3n12 ZINC000054643884 183947365 /nfs/dbraw/zinc/94/73/65/183947365.db2.gz AUWJJAWOISVPBY-UHFFFAOYSA-N 0 0 306.434 5.450 10 0 DKAERN CCOc1ccccc1-c1cn2c3cc(C)c(C)cc3sc2n1 ZINC000054643904 183947329 /nfs/dbraw/zinc/94/73/29/183947329.db2.gz JZWAJRRCBFOMRM-UHFFFAOYSA-N 0 0 322.433 5.232 10 0 DKAERN CCc1ccc2oc(C(=O)Nc3c(C)cccc3CC)c(C)c2c1 ZINC000054644733 183947060 /nfs/dbraw/zinc/94/70/60/183947060.db2.gz UFTZWXBCXZVMRK-UHFFFAOYSA-N 0 0 321.420 5.427 10 0 DKAERN CC(C)(C)[C@@H]1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000057326594 518943753 /nfs/dbraw/zinc/94/37/53/518943753.db2.gz RRYYRNWMRYVEJT-SNVBAGLBSA-N 0 0 306.247 5.081 10 0 DKAERN CC(C)(C)[C@H]1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000057326600 518978048 /nfs/dbraw/zinc/97/80/48/518978048.db2.gz RRYYRNWMRYVEJT-JTQLQIEISA-N 0 0 306.247 5.081 10 0 DKAERN C[C@H](NCc1ccsc1)c1c(Cl)ccc(F)c1Cl ZINC000057997767 337868021 /nfs/dbraw/zinc/86/80/21/337868021.db2.gz ONZDAUNQBOGKIF-QMMMGPOBSA-N 0 0 304.217 5.045 10 0 DKAERN C[C@@H](NCc1ccsc1)c1c(Cl)ccc(F)c1Cl ZINC000057997768 337868114 /nfs/dbraw/zinc/86/81/14/337868114.db2.gz ONZDAUNQBOGKIF-MRVPVSSYSA-N 0 0 304.217 5.045 10 0 DKAERN Clc1ccc(Cc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000059059492 184134313 /nfs/dbraw/zinc/13/43/13/184134313.db2.gz WVWJQTPTXDYDCM-UHFFFAOYSA-N 0 0 306.019 5.891 10 0 DKAERN CCCC[C@H](CC)C[C@H]1CCC[C@@H](C[C@@H](CC)CCCC)C1 ZINC000059299627 184136968 /nfs/dbraw/zinc/13/69/68/184136968.db2.gz DFIIJEHQGUKXKU-MYGLTJDJSA-N 0 0 308.594 8.006 10 0 DKAERN c1ccc(C2O[C@@H](c3ccccc3)C[C@@H](c3ccccc3)O2)cc1 ZINC000059370896 184138139 /nfs/dbraw/zinc/13/81/39/184138139.db2.gz JISOWUQFKXKMNL-CBQGHPETSA-N 0 0 316.400 5.605 10 0 DKAERN CCCCc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000059371467 184138126 /nfs/dbraw/zinc/13/81/26/184138126.db2.gz BRZLMMJFEXRXSF-UHFFFAOYSA-N 0 0 322.235 5.588 10 0 DKAERN Nc1c(Cl)c(Cl)c(Cl)c(Cl)c1Oc1ccccc1 ZINC000059595269 184139653 /nfs/dbraw/zinc/13/96/53/184139653.db2.gz ZUMRAASOHVUGRC-UHFFFAOYSA-N 0 0 323.006 5.675 10 0 DKAERN CCCOc1cc(C(F)(F)F)ccc1OCc1ccccc1 ZINC000059868551 184141818 /nfs/dbraw/zinc/14/18/18/184141818.db2.gz PLOAPHSESBGZDY-UHFFFAOYSA-N 0 0 310.315 5.073 10 0 DKAERN FC(F)(F)c1ccc(-c2cc(C=Cc3ccccc3)[nH]n2)cc1 ZINC000059871751 184142072 /nfs/dbraw/zinc/14/20/72/184142072.db2.gz ITFGLLBQTGYQJH-IZZDOVSWSA-N 0 0 314.310 5.266 10 0 DKAERN Cn1c2ccc(-c3ccc(Cl)cc3)cc2nc1-c1ccccc1 ZINC000059873086 184141890 /nfs/dbraw/zinc/14/18/90/184141890.db2.gz BGBDYOCKGCCRFR-UHFFFAOYSA-N 0 0 318.807 5.561 10 0 DKAERN C[C@H](N[C@@H](C)c1c(Cl)ccc(F)c1Cl)c1ccsc1 ZINC000061360749 184169162 /nfs/dbraw/zinc/16/91/62/184169162.db2.gz GRMFYWUMAZZQDR-IUCAKERBSA-N 0 0 318.244 5.606 10 0 DKAERN C[C@@H](N[C@@H](C)c1c(Cl)ccc(F)c1Cl)c1ccsc1 ZINC000061360750 184169145 /nfs/dbraw/zinc/16/91/45/184169145.db2.gz GRMFYWUMAZZQDR-BDAKNGLRSA-N 0 0 318.244 5.606 10 0 DKAERN C[C@@H](N[C@@H](C)c1ccsc1)c1c(Cl)ccc(F)c1Cl ZINC000061360751 184169175 /nfs/dbraw/zinc/16/91/75/184169175.db2.gz GRMFYWUMAZZQDR-DTWKUNHWSA-N 0 0 318.244 5.606 10 0 DKAERN C[C@@H](N[C@H](C)c1c(Cl)ccc(F)c1Cl)c1ccsc1 ZINC000061360752 184169155 /nfs/dbraw/zinc/16/91/55/184169155.db2.gz GRMFYWUMAZZQDR-RKDXNWHRSA-N 0 0 318.244 5.606 10 0 DKAERN CCc1oc2ccccc2c1-c1ccc(N)cc1Br ZINC000061876781 184191532 /nfs/dbraw/zinc/19/15/32/184191532.db2.gz NLFWPTPHVPODFX-UHFFFAOYSA-N 0 0 316.198 5.007 10 0 DKAERN CC(C)(C)c1ccc2c(c1)NC[C@H](c1ccc(Cl)cc1)O2 ZINC000062562359 184242143 /nfs/dbraw/zinc/24/21/43/184242143.db2.gz AFTSQGKRAUWSPJ-QGZVFWFLSA-N 0 0 301.817 5.183 10 0 DKAERN CC(C)(C)c1ccc2c(c1)NC[C@@H](c1ccc(Cl)cc1)O2 ZINC000062562362 184242257 /nfs/dbraw/zinc/24/22/57/184242257.db2.gz AFTSQGKRAUWSPJ-KRWDZBQOSA-N 0 0 301.817 5.183 10 0 DKAERN Cc1cc(Cl)cc2c1O[C@H](c1ccc(C(C)C)cc1)CN2 ZINC000062562364 184242121 /nfs/dbraw/zinc/24/21/21/184242121.db2.gz DHHNGEQXIRQIQV-KRWDZBQOSA-N 0 0 301.817 5.317 10 0 DKAERN Cc1cc(Cl)cc2c1O[C@@H](c1ccc(C(C)C)cc1)CN2 ZINC000062562366 184242481 /nfs/dbraw/zinc/24/24/81/184242481.db2.gz DHHNGEQXIRQIQV-QGZVFWFLSA-N 0 0 301.817 5.317 10 0 DKAERN Cc1sc2nc(CSC3CCCC3)nc(Cl)c2c1C ZINC000062829115 184254943 /nfs/dbraw/zinc/25/49/43/184254943.db2.gz VCEFGBDCNBELFQ-UHFFFAOYSA-N 0 0 312.891 5.137 10 0 DKAERN CC(C)(C)c1ncc(CNc2ccc(Cl)c(Cl)c2)s1 ZINC000062838790 184255726 /nfs/dbraw/zinc/25/57/26/184255726.db2.gz MBCBHNVGFZWKDV-UHFFFAOYSA-N 0 0 315.269 5.360 10 0 DKAERN CC(C)(C)c1ncc(CNc2cccc(Cl)c2Cl)s1 ZINC000062838824 184255494 /nfs/dbraw/zinc/25/54/94/184255494.db2.gz VCLNBVKZNZLXKG-UHFFFAOYSA-N 0 0 315.269 5.360 10 0 DKAERN Cc1ccc([C@H](O)c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000063021903 184267396 /nfs/dbraw/zinc/26/73/96/184267396.db2.gz MATYLSHPYBIPPU-AWEZNQCLSA-N 0 0 301.600 5.037 10 0 DKAERN Cc1ccc([C@@H](O)c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000063021904 184267358 /nfs/dbraw/zinc/26/73/58/184267358.db2.gz MATYLSHPYBIPPU-CQSZACIVSA-N 0 0 301.600 5.037 10 0 DKAERN Cc1ccc(-c2cc3c(ncnc3Cl)n2-c2ccccc2)cc1 ZINC000064436359 184296536 /nfs/dbraw/zinc/29/65/36/184296536.db2.gz LZHJDIYFXCANIG-UHFFFAOYSA-N 0 0 319.795 5.049 10 0 DKAERN CC(C)(C)c1ccc2nc(NC(=O)C3CCCCC3)sc2c1 ZINC000065003017 184308666 /nfs/dbraw/zinc/30/86/66/184308666.db2.gz JZAJBGHNFWOPAF-UHFFFAOYSA-N 0 0 316.470 5.113 10 0 DKAERN Cc1ccccc1C(=O)Nc1nc2ccc(C(C)(C)C)cc2s1 ZINC000065003041 184308695 /nfs/dbraw/zinc/30/86/95/184308695.db2.gz OXMQESGPFYZEFQ-UHFFFAOYSA-N 0 0 324.449 5.155 10 0 DKAERN Cc1cccc(C(=O)Nc2nc3ccc(C(C)(C)C)cc3s2)c1 ZINC000065003045 184308697 /nfs/dbraw/zinc/30/86/97/184308697.db2.gz XZKLLLUNZGRFBU-UHFFFAOYSA-N 0 0 324.449 5.155 10 0 DKAERN Cc1ccc(C(=O)Nc2nc3ccc(C(C)(C)C)cc3s2)cc1 ZINC000065003048 184308692 /nfs/dbraw/zinc/30/86/92/184308692.db2.gz ZETDBELYLXOASM-UHFFFAOYSA-N 0 0 324.449 5.155 10 0 DKAERN CCc1ccc2nccc(Nc3ccccc3C(F)(F)F)c2c1 ZINC000065005430 184308311 /nfs/dbraw/zinc/30/83/11/184308311.db2.gz ZBNMSXRGOJFJNF-UHFFFAOYSA-N 0 0 316.326 5.560 10 0 DKAERN CC(C)c1ccc(NC(=O)c2ccnc(-c3ccsc3)c2)cc1 ZINC000065063154 184309850 /nfs/dbraw/zinc/30/98/50/184309850.db2.gz STQUZGNKHNDXGH-UHFFFAOYSA-N 0 0 322.433 5.186 10 0 DKAERN Cc1cccc(NC(=O)c2cc3cn(C(C)C)cc3s2)c1C ZINC000065285461 568419392 /nfs/dbraw/zinc/41/93/92/568419392.db2.gz USRMTCYYKVBWSG-UHFFFAOYSA-N 0 0 312.438 5.153 10 0 DKAERN Oc1ccc(-c2ccccc2OCc2ccccc2)cc1Cl ZINC000065343655 184325355 /nfs/dbraw/zinc/32/53/55/184325355.db2.gz YRVZBVDYPOOIOF-UHFFFAOYSA-N 0 0 310.780 5.292 10 0 DKAERN Oc1cc(-c2ccccc2OCc2ccccc2)ccc1Cl ZINC000065343657 184325733 /nfs/dbraw/zinc/32/57/33/184325733.db2.gz IKPUDCXJWCMFNB-UHFFFAOYSA-N 0 0 310.780 5.292 10 0 DKAERN Oc1cc(Cl)cc(-c2ccccc2OCc2ccccc2)c1 ZINC000065343658 184325527 /nfs/dbraw/zinc/32/55/27/184325527.db2.gz FHGJRADNHFQSRF-UHFFFAOYSA-N 0 0 310.780 5.292 10 0 DKAERN Oc1ccc(-c2cccc(OCc3ccccc3)c2)cc1Cl ZINC000065343660 184325442 /nfs/dbraw/zinc/32/54/42/184325442.db2.gz XRDDFVUAGVPJSZ-UHFFFAOYSA-N 0 0 310.780 5.292 10 0 DKAERN Oc1cc(-c2cccc(OCc3ccccc3)c2)ccc1Cl ZINC000065343662 184325627 /nfs/dbraw/zinc/32/56/27/184325627.db2.gz HBGKCJIFUJNXEP-UHFFFAOYSA-N 0 0 310.780 5.292 10 0 DKAERN Oc1cc(Cl)cc(-c2cccc(OCc3ccccc3)c2)c1 ZINC000065343663 184325630 /nfs/dbraw/zinc/32/56/30/184325630.db2.gz ZDECBPIIEGCREG-UHFFFAOYSA-N 0 0 310.780 5.292 10 0 DKAERN Oc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1Cl ZINC000065343665 184325585 /nfs/dbraw/zinc/32/55/85/184325585.db2.gz BZWAILRHDYXTLD-UHFFFAOYSA-N 0 0 310.780 5.292 10 0 DKAERN Oc1cc(-c2ccc(OCc3ccccc3)cc2)ccc1Cl ZINC000065343667 184325473 /nfs/dbraw/zinc/32/54/73/184325473.db2.gz SUBSXLUPNBRFJK-UHFFFAOYSA-N 0 0 310.780 5.292 10 0 DKAERN Oc1cc(Cl)cc(-c2ccc(OCc3ccccc3)cc2)c1 ZINC000065343669 184325402 /nfs/dbraw/zinc/32/54/02/184325402.db2.gz ZYRVRPQZYGFOAZ-UHFFFAOYSA-N 0 0 310.780 5.292 10 0 DKAERN CC(C)(C)OC(=O)Nc1cccc(-c2cc(O)cc(Cl)c2)c1 ZINC000065343693 184325610 /nfs/dbraw/zinc/32/56/10/184325610.db2.gz XVUAMVLASMEPME-UHFFFAOYSA-N 0 0 319.788 5.060 10 0 DKAERN Oc1cc(Br)cc(-c2cccc(Cl)c2Cl)c1 ZINC000065343908 184326031 /nfs/dbraw/zinc/32/60/31/184326031.db2.gz PTQIQDBXERZXDQ-UHFFFAOYSA-N 0 0 317.997 5.129 10 0 DKAERN Oc1cc(Br)cc(-c2ccc(Cl)cc2Cl)c1 ZINC000065343909 184326087 /nfs/dbraw/zinc/32/60/87/184326087.db2.gz KEDPNDQMVZLXSM-UHFFFAOYSA-N 0 0 317.997 5.129 10 0 DKAERN Oc1cc(Br)cc(-c2cc(Cl)ccc2Cl)c1 ZINC000065343911 184326303 /nfs/dbraw/zinc/32/63/03/184326303.db2.gz PVROTMRGZIPWRP-UHFFFAOYSA-N 0 0 317.997 5.129 10 0 DKAERN Oc1cc(Br)cc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000065343912 184326154 /nfs/dbraw/zinc/32/61/54/184326154.db2.gz LGNJFLVTVNHCTB-UHFFFAOYSA-N 0 0 317.997 5.129 10 0 DKAERN Oc1cc(Br)cc(-c2cc(Cl)cc(Cl)c2)c1 ZINC000065343914 184326318 /nfs/dbraw/zinc/32/63/18/184326318.db2.gz JTYBHZMUEYIWOS-UHFFFAOYSA-N 0 0 317.997 5.129 10 0 DKAERN Oc1cc(OC(F)(F)F)cc(-c2ccc3ccccc3c2)c1 ZINC000065344232 184326180 /nfs/dbraw/zinc/32/61/80/184326180.db2.gz MQXINYBDMOPJRM-UHFFFAOYSA-N 0 0 304.267 5.111 10 0 DKAERN CC(C)(C)c1ccc(-c2cc(O)cc(OC(F)(F)F)c2)cc1 ZINC000065344253 184325960 /nfs/dbraw/zinc/32/59/60/184325960.db2.gz ZBPGFHPFFGLJTB-UHFFFAOYSA-N 0 0 310.315 5.255 10 0 DKAERN CCSc1ccc(-c2cc(O)cc(OC(F)(F)F)c2)cc1 ZINC000065344289 184326327 /nfs/dbraw/zinc/32/63/27/184326327.db2.gz HBABQQYXOOEBCW-UHFFFAOYSA-N 0 0 314.328 5.070 10 0 DKAERN Oc1cc(-c2ccccc2C(F)(F)F)cc(C(F)(F)F)c1 ZINC000065344317 184326126 /nfs/dbraw/zinc/32/61/26/184326126.db2.gz FNIHLWFRRBCLKL-UHFFFAOYSA-N 0 0 306.205 5.097 10 0 DKAERN Oc1cc(-c2cccc(C(F)(F)F)c2)cc(C(F)(F)F)c1 ZINC000065344321 184325928 /nfs/dbraw/zinc/32/59/28/184325928.db2.gz FFRXYLYCBAMGLF-UHFFFAOYSA-N 0 0 306.205 5.097 10 0 DKAERN Oc1cc(-c2ccc(C(F)(F)F)cc2)cc(C(F)(F)F)c1 ZINC000065344324 184326226 /nfs/dbraw/zinc/32/62/26/184326226.db2.gz MLCWIBOBKOYAHJ-UHFFFAOYSA-N 0 0 306.205 5.097 10 0 DKAERN Oc1cc(-c2cccc(Cl)c2Cl)cc(C(F)(F)F)c1 ZINC000065344327 184326112 /nfs/dbraw/zinc/32/61/12/184326112.db2.gz ISMAPRXCNOECIS-UHFFFAOYSA-N 0 0 307.098 5.385 10 0 DKAERN Oc1cc(OC(F)(F)F)cc(-c2cccc(Cl)c2Cl)c1 ZINC000065344329 184326107 /nfs/dbraw/zinc/32/61/07/184326107.db2.gz RUWXXZYLMUTOPP-UHFFFAOYSA-N 0 0 323.097 5.265 10 0 DKAERN Oc1cc(-c2ccc(Cl)cc2Cl)cc(C(F)(F)F)c1 ZINC000065344331 184326208 /nfs/dbraw/zinc/32/62/08/184326208.db2.gz BPRBQQJAHIACRP-UHFFFAOYSA-N 0 0 307.098 5.385 10 0 DKAERN Oc1cc(OC(F)(F)F)cc(-c2ccc(Cl)cc2Cl)c1 ZINC000065344333 184326059 /nfs/dbraw/zinc/32/60/59/184326059.db2.gz UPYLJCSENOBRJF-UHFFFAOYSA-N 0 0 323.097 5.265 10 0 DKAERN Oc1cc(-c2cc(Cl)ccc2Cl)cc(C(F)(F)F)c1 ZINC000065344334 184326074 /nfs/dbraw/zinc/32/60/74/184326074.db2.gz XLPISAGQLLHSTL-UHFFFAOYSA-N 0 0 307.098 5.385 10 0 DKAERN Oc1cc(-c2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)c1 ZINC000065344337 184326187 /nfs/dbraw/zinc/32/61/87/184326187.db2.gz HALUNQVWXPOXKM-UHFFFAOYSA-N 0 0 307.098 5.385 10 0 DKAERN Oc1cc(OC(F)(F)F)cc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000065344338 184326230 /nfs/dbraw/zinc/32/62/30/184326230.db2.gz HLOAYLNKWXJEAS-UHFFFAOYSA-N 0 0 323.097 5.265 10 0 DKAERN Oc1cc(-c2cc(Cl)cc(Cl)c2)cc(C(F)(F)F)c1 ZINC000065344339 184326243 /nfs/dbraw/zinc/32/62/43/184326243.db2.gz PXSYCPFBSQWHQQ-UHFFFAOYSA-N 0 0 307.098 5.385 10 0 DKAERN Oc1cc(OC(F)(F)F)cc(-c2cc(Cl)cc(Cl)c2)c1 ZINC000065344340 184326329 /nfs/dbraw/zinc/32/63/29/184326329.db2.gz KKHGHORQBWYWEJ-UHFFFAOYSA-N 0 0 323.097 5.265 10 0 DKAERN CCOc1ccc(-c2cc(O)cc(C(F)(F)F)c2)c(Cl)c1 ZINC000065344379 184326139 /nfs/dbraw/zinc/32/61/39/184326139.db2.gz WTXWTWCQZQXPEJ-UHFFFAOYSA-N 0 0 316.706 5.130 10 0 DKAERN COC(=O)/C=C(C)/C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C ZINC000065748641 184378471 /nfs/dbraw/zinc/37/84/71/184378471.db2.gz SREQLAJQLXPNMC-JIWRVPIVSA-N 0 0 314.469 5.691 10 0 in-vitro DKAERN CC(F)(F)[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C ZINC000066058958 184386096 /nfs/dbraw/zinc/38/60/96/184386096.db2.gz FZAIZHRUZYGJPF-GFEQUFNTSA-N 0 0 320.423 5.520 10 0 DKAERN Cc1ccc2cc(-c3n[nH]c4ccc(NCC(C)C)cc43)[nH]c2c1 ZINC000066097529 184388838 /nfs/dbraw/zinc/38/88/38/184388838.db2.gz DQGPZBDEZLETHP-UHFFFAOYSA-N 0 0 318.424 5.088 10 0 DKAERN Clc1ccc(OCCNc2ccccc2Cl)c(Cl)c1 ZINC000066154343 184393424 /nfs/dbraw/zinc/39/34/24/184393424.db2.gz KJBIOLFYKSRIED-UHFFFAOYSA-N 0 0 316.615 5.138 10 0 DKAERN Clc1ccc(NCCCc2ccccc2Cl)cc1Cl ZINC000066155269 184393653 /nfs/dbraw/zinc/39/36/53/184393653.db2.gz MDCRZBOKIQOVAD-UHFFFAOYSA-N 0 0 314.643 5.692 10 0 DKAERN Clc1cc(Cl)cc(NCCCc2ccccc2Cl)c1 ZINC000066161700 184394374 /nfs/dbraw/zinc/39/43/74/184394374.db2.gz NDSDPVICCFJCDM-UHFFFAOYSA-N 0 0 314.643 5.692 10 0 DKAERN Clc1cc(Cl)c(NCCOc2ccccc2)cc1Cl ZINC000066163258 184394828 /nfs/dbraw/zinc/39/48/28/184394828.db2.gz RSPUUTLFQXGUCR-UHFFFAOYSA-N 0 0 316.615 5.138 10 0 DKAERN Clc1ccc(Cl)c(NCCCc2ccccc2Cl)c1 ZINC000066164961 184394473 /nfs/dbraw/zinc/39/44/73/184394473.db2.gz QCYHBCZLEBPFGQ-UHFFFAOYSA-N 0 0 314.643 5.692 10 0 DKAERN COc1ccc(NCCCc2ccccc2Cl)cc1Cl ZINC000066165229 184394524 /nfs/dbraw/zinc/39/45/24/184394524.db2.gz BJDLKTXEYZPRHM-UHFFFAOYSA-N 0 0 310.224 5.047 10 0 DKAERN CCC1CCC(C2CCC(c3cc(F)c(F)c(F)c3)CC2)CC1 ZINC000066351948 568413320 /nfs/dbraw/zinc/41/33/20/568413320.db2.gz DXFHMMVZUZLQFU-UHFFFAOYSA-N 0 0 324.430 6.594 10 0 DKAERN Clc1ccc([C@@H]2CC2(c2ccccc2)c2ccccc2)cc1 ZINC000067730134 184483346 /nfs/dbraw/zinc/48/33/46/184483346.db2.gz ZBOYZQFTQVYBHU-FQEVSTJZSA-N 0 0 304.820 5.814 10 0 DKAERN Clc1ccccc1SCc1cccc(Br)c1 ZINC000070130559 190860920 /nfs/dbraw/zinc/86/09/20/190860920.db2.gz ZGWWPDDWGVWDBE-UHFFFAOYSA-N 0 0 313.647 5.395 10 0 DKAERN Cc1cccc(CSCc2cccc(Br)c2)c1 ZINC000070131767 190861699 /nfs/dbraw/zinc/86/16/99/190861699.db2.gz HQWDMHAFJAKDIF-UHFFFAOYSA-N 0 0 307.256 5.191 10 0 DKAERN Fc1ccccc1SCc1ccc(Br)cc1F ZINC000070131903 190861024 /nfs/dbraw/zinc/86/10/24/190861024.db2.gz YIGSMKFKBMBOCD-UHFFFAOYSA-N 0 0 315.182 5.020 10 0 DKAERN Cc1ccc(SCc2ccc(Br)cc2)cc1C ZINC000070133099 190861389 /nfs/dbraw/zinc/86/13/89/190861389.db2.gz FYNIGEFVOGBVJA-UHFFFAOYSA-N 0 0 307.256 5.358 10 0 DKAERN C[C@H](Nc1ncc(Cl)cc1Cl)c1ccccc1Cl ZINC000070134806 190861429 /nfs/dbraw/zinc/86/14/29/190861429.db2.gz FFTVSDWZTSJBJJ-QMMMGPOBSA-N 0 0 301.604 5.215 10 0 DKAERN C[C@@H](Nc1ncc(Cl)cc1Cl)c1ccccc1Cl ZINC000070134808 190861514 /nfs/dbraw/zinc/86/15/14/190861514.db2.gz FFTVSDWZTSJBJJ-MRVPVSSYSA-N 0 0 301.604 5.215 10 0 DKAERN CC(C)CNc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000070135836 190861695 /nfs/dbraw/zinc/86/16/95/190861695.db2.gz BMAMHLCFDRXDEQ-UHFFFAOYSA-N 0 0 301.242 5.185 10 0 DKAERN Cc1ccc(C(C)C)c(OCc2cccc(Br)c2)c1 ZINC000070136091 190861143 /nfs/dbraw/zinc/86/11/43/190861143.db2.gz LWFBFYNLAYMQFP-UHFFFAOYSA-N 0 0 319.242 5.460 10 0 DKAERN CC(C)c1ccccc1OCc1ccc(Br)cc1F ZINC000070236351 190874903 /nfs/dbraw/zinc/87/49/03/190874903.db2.gz RXLZHAVGKQFLML-UHFFFAOYSA-N 0 0 323.205 5.291 10 0 DKAERN CC[C@H]1CCCC[C@@H]1Nc1cc(Cl)c(Cl)cc1Cl ZINC000070977391 190928043 /nfs/dbraw/zinc/92/80/43/190928043.db2.gz ZSNOHXLLGWFUNM-ZANVPECISA-N 0 0 306.664 6.028 10 0 DKAERN CC[C@H]1CCCC[C@@H]1Nc1c(F)cc(F)cc1Br ZINC000070977816 190927603 /nfs/dbraw/zinc/92/76/03/190927603.db2.gz HTLVXPMZGDXTFN-ZANVPECISA-N 0 0 318.205 5.108 10 0 DKAERN Fc1ccc(SCc2ccc(Br)s2)cc1F ZINC000071109691 190934580 /nfs/dbraw/zinc/93/45/80/190934580.db2.gz QUOHGTLGFJCONC-UHFFFAOYSA-N 0 0 321.211 5.081 10 0 DKAERN C[C@H]1CCC[C@H](SCc2cc(Br)cs2)C1 ZINC000071109878 190934817 /nfs/dbraw/zinc/93/48/17/190934817.db2.gz AZKWRFDPFYBTQF-ONGXEEELSA-N 0 0 305.306 5.323 10 0 DKAERN C[C@H]1CCC[C@@H](SCc2cc(Br)cs2)C1 ZINC000071109884 190934744 /nfs/dbraw/zinc/93/47/44/190934744.db2.gz AZKWRFDPFYBTQF-GXSJLCMTSA-N 0 0 305.306 5.323 10 0 DKAERN C[C@H](O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 ZINC000071973860 184916288 /nfs/dbraw/zinc/91/62/88/184916288.db2.gz QDSJAAAHFVOTSB-NEXMIYJRSA-N 0 0 309.796 5.112 10 0 DKAERN Clc1ccc(/C=C/c2ccc(-c3cccs3)s2)cc1 ZINC000072173484 191069642 /nfs/dbraw/zinc/06/96/42/191069642.db2.gz FSNRXWNNVHKECR-VMPITWQZSA-N 0 0 302.851 6.300 10 0 DKAERN Clc1ccc([C@@H](c2cccnc2)c2ccccc2Cl)cc1 ZINC000072184886 191071911 /nfs/dbraw/zinc/07/19/11/191071911.db2.gz QCXGDIKHNVFDIE-SFHVURJKSA-N 0 0 314.215 5.569 10 0 DKAERN Clc1ccc([C@H](c2cccnc2)c2ccccc2Cl)cc1 ZINC000072184887 191072011 /nfs/dbraw/zinc/07/20/11/191072011.db2.gz QCXGDIKHNVFDIE-GOSISDBHSA-N 0 0 314.215 5.569 10 0 DKAERN FC(F)(F)c1ccc(-c2csc(Br)c2)cc1 ZINC000072191861 191073858 /nfs/dbraw/zinc/07/38/58/191073858.db2.gz AUQQNETXAJJNMN-UHFFFAOYSA-N 0 0 307.134 5.196 10 0 DKAERN FC(F)(F)c1ccccc1-c1csc(Br)c1 ZINC000072191865 191073159 /nfs/dbraw/zinc/07/31/59/191073159.db2.gz VGLZNUGIOMIOAJ-UHFFFAOYSA-N 0 0 307.134 5.196 10 0 DKAERN FC(F)(F)c1cccc(-c2csc(Br)c2)c1 ZINC000072191868 191073841 /nfs/dbraw/zinc/07/38/41/191073841.db2.gz VDXULXIUQAFNAY-UHFFFAOYSA-N 0 0 307.134 5.196 10 0 DKAERN FC(F)(F)c1ccccc1-c1ccsc1Br ZINC000072191885 191073684 /nfs/dbraw/zinc/07/36/84/191073684.db2.gz RNKSNZMEGLOKNU-UHFFFAOYSA-N 0 0 307.134 5.196 10 0 DKAERN FC(F)(F)c1cccc(-c2ccsc2Br)c1 ZINC000072191892 191073578 /nfs/dbraw/zinc/07/35/78/191073578.db2.gz NDEKHEKQKQEJLB-UHFFFAOYSA-N 0 0 307.134 5.196 10 0 DKAERN FC(F)(F)c1ccc(-c2ccsc2Br)cc1 ZINC000072191901 191073210 /nfs/dbraw/zinc/07/32/10/191073210.db2.gz MFLQSJGGMNYZMR-UHFFFAOYSA-N 0 0 307.134 5.196 10 0 DKAERN CCCCCCc1ccnc(-c2cc(CCCCCC)ccn2)c1 ZINC000072194614 191073084 /nfs/dbraw/zinc/07/30/84/191073084.db2.gz CFRUXDAXNXJISO-UHFFFAOYSA-N 0 0 324.512 6.389 10 0 DKAERN CC(C)(C)c1cc(Br)cc(SC(F)(F)F)c1 ZINC000072233060 191078976 /nfs/dbraw/zinc/07/89/76/191078976.db2.gz YFGXETHFVIIXEX-UHFFFAOYSA-N 0 0 313.182 5.359 10 0 DKAERN CCCCN(Cc1ccccc1)C(=O)CC/C=C/c1ccccc1 ZINC000072236041 191080685 /nfs/dbraw/zinc/08/06/85/191080685.db2.gz DWFSODXNZUQNOO-GXDHUFHOSA-N 0 0 321.464 5.309 10 0 DKAERN O=C(C/C=C/c1ccccc1)N(c1ccccc1)c1ccccc1 ZINC000072236058 191080072 /nfs/dbraw/zinc/08/00/72/191080072.db2.gz SMIJHMFHYFEXJN-JLHYYAGUSA-N 0 0 313.400 5.455 10 0 DKAERN Cc1ccc(NC(=O)c2cc(C)cc3c2NC(C)(C)C=C3C)cc1 ZINC000072441536 191167417 /nfs/dbraw/zinc/16/74/17/191167417.db2.gz SPTPADZAEPXTQC-UHFFFAOYSA-N 0 0 320.436 5.163 10 0 DKAERN c1ccc(Nc2nccc(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000072443503 191168088 /nfs/dbraw/zinc/16/80/88/191168088.db2.gz HMHXRAVVVHGVES-UHFFFAOYSA-N 0 0 323.399 5.554 10 0 DKAERN Cc1ccc(Nc2nccc(-c3cccc4ccccc43)n2)cc1 ZINC000072443515 191168725 /nfs/dbraw/zinc/16/87/25/191168725.db2.gz HXJAHJCGAQVPAK-UHFFFAOYSA-N 0 0 311.388 5.349 10 0 DKAERN Cc1ccc(Nc2nccc(-c3ccc4ccccc4c3)n2)cc1 ZINC000072443516 191168961 /nfs/dbraw/zinc/16/89/61/191168961.db2.gz JSAJAUJFTMJFPB-UHFFFAOYSA-N 0 0 311.388 5.349 10 0 DKAERN Clc1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1 ZINC000072443545 191168869 /nfs/dbraw/zinc/16/88/69/191168869.db2.gz VEUHDYKEBQXYMD-UHFFFAOYSA-N 0 0 316.191 5.194 10 0 DKAERN Clc1ccc(Nc2nccc(-c3ccccc3Cl)n2)cc1 ZINC000072443554 191168318 /nfs/dbraw/zinc/16/83/18/191168318.db2.gz KZWMZESTPZBYFT-UHFFFAOYSA-N 0 0 316.191 5.194 10 0 DKAERN Clc1cccc(/C=C/c2ccnc(Nc3ccccc3)n2)c1 ZINC000072443665 191169379 /nfs/dbraw/zinc/16/93/79/191169379.db2.gz YIXLXTWUPDWMDC-MDZDMXLPSA-N 0 0 307.784 5.044 10 0 DKAERN Clc1ccc(/C=C/c2ccnc(Nc3ccccc3)n2)cc1 ZINC000072443666 191168461 /nfs/dbraw/zinc/16/84/61/191168461.db2.gz WDFFVMAFOXKCQY-DHZHZOJOSA-N 0 0 307.784 5.044 10 0 DKAERN CC(C)c1ccc(/C=C/c2ccnc(Nc3ccccc3)n2)cc1 ZINC000072443668 191169416 /nfs/dbraw/zinc/16/94/16/191169416.db2.gz IXVWAKRNRAQXAA-JLHYYAGUSA-N 0 0 315.420 5.514 10 0 DKAERN Clc1ccc(Nc2nccc(/C=C/c3ccccc3)n2)cc1 ZINC000072443672 191168588 /nfs/dbraw/zinc/16/85/88/191168588.db2.gz AVACCTZWRIQGPU-RMKNXTFCSA-N 0 0 307.784 5.044 10 0 DKAERN Cc1ccc(/C=C/c2ccnc(Nc3ccc(Cl)cc3)n2)cc1 ZINC000072443673 191169356 /nfs/dbraw/zinc/16/93/56/191169356.db2.gz QFVLRWCCLDENGK-RMKNXTFCSA-N 0 0 321.811 5.352 10 0 DKAERN Cc1cccc(/C=C/c2ccnc(Nc3ccc(Cl)cc3)n2)c1 ZINC000072443674 191169245 /nfs/dbraw/zinc/16/92/45/191169245.db2.gz UKNAWYKBAPIOCJ-VMPITWQZSA-N 0 0 321.811 5.352 10 0 DKAERN Cc1ccccc1/C=C/c1ccnc(Nc2ccc(Cl)cc2)n1 ZINC000072443675 191168789 /nfs/dbraw/zinc/16/87/89/191168789.db2.gz IFDGPUBAQBXMFK-RMKNXTFCSA-N 0 0 321.811 5.352 10 0 DKAERN Clc1ccc(Nc2nccc(/C=C/c3cccs3)n2)cc1 ZINC000072443684 191169442 /nfs/dbraw/zinc/16/94/42/191169442.db2.gz UXBKWMDXNMOOKQ-BQYQJAHWSA-N 0 0 313.813 5.106 10 0 DKAERN Cc1ccc(/C=C/c2ccnc(Nc3ccc(C)cc3)n2)cc1 ZINC000072443686 191168341 /nfs/dbraw/zinc/16/83/41/191168341.db2.gz NFHQVOWJFAKIJD-FMIVXFBMSA-N 0 0 301.393 5.007 10 0 DKAERN Cc1ccc(Nc2nccc(/C=C/c3cccc(C)c3)n2)cc1 ZINC000072443687 191169436 /nfs/dbraw/zinc/16/94/36/191169436.db2.gz UANDOMYPHDJYHO-DHZHZOJOSA-N 0 0 301.393 5.007 10 0 DKAERN Cc1ccc(Nc2nccc(/C=C/c3ccccc3C)n2)cc1 ZINC000072443688 191168698 /nfs/dbraw/zinc/16/86/98/191168698.db2.gz CVGGWXJBCHMUAL-FMIVXFBMSA-N 0 0 301.393 5.007 10 0 DKAERN Cc1ccc(Nc2nccc(/C=C/c3cccc(Cl)c3)n2)cc1 ZINC000072443689 191169267 /nfs/dbraw/zinc/16/92/67/191169267.db2.gz LPPABPDUEZPDRD-JXMROGBWSA-N 0 0 321.811 5.352 10 0 DKAERN Cc1ccc(Nc2nccc(/C=C/c3ccc(Cl)cc3)n2)cc1 ZINC000072443690 191168645 /nfs/dbraw/zinc/16/86/45/191168645.db2.gz RPQQBVNVFQWYOZ-IZZDOVSWSA-N 0 0 321.811 5.352 10 0 DKAERN Cc1ccc(Nc2nccc(/C=C/C=C\c3ccccc3)n2)cc1 ZINC000072443695 191168689 /nfs/dbraw/zinc/16/86/89/191168689.db2.gz UOANAQXJZCYGRC-VTBWALSUSA-N 0 0 313.404 5.255 10 0 DKAERN Cc1nn2c(nccc2-c2ccccc2)c1-c1ccc(Cl)cc1 ZINC000072451611 191171897 /nfs/dbraw/zinc/17/18/97/191171897.db2.gz ILFLARKIXFUXEG-UHFFFAOYSA-N 0 0 319.795 5.025 10 0 DKAERN Cc1ccc(-c2ccnc3c(-c4cccc(Cl)c4)cnn32)cc1 ZINC000072451721 191171504 /nfs/dbraw/zinc/17/15/04/191171504.db2.gz AUMRFUSDWLHGKA-UHFFFAOYSA-N 0 0 319.795 5.025 10 0 DKAERN CC(C)(C)c1ccc(-c2noc(-c3ccc4[nH]ccc4c3)n2)cc1 ZINC000073637948 519010624 /nfs/dbraw/zinc/01/06/24/519010624.db2.gz WOIHTEQFCISTMS-UHFFFAOYSA-N 0 0 317.392 5.182 10 0 DKAERN CC(C)(C)c1ccc(-c2noc(-c3cccc4[nH]ccc43)n2)cc1 ZINC000073638016 519010371 /nfs/dbraw/zinc/01/03/71/519010371.db2.gz SJTCGTXFFRWYNR-UHFFFAOYSA-N 0 0 317.392 5.182 10 0 DKAERN CCc1c2ccccc2oc1-c1csc(NCC(C)C)n1 ZINC000077068040 185091636 /nfs/dbraw/zinc/09/16/36/185091636.db2.gz PMCDLLGGNQOYPU-UHFFFAOYSA-N 0 0 300.427 5.187 10 0 DKAERN C[C@H](N[C@@H](C)c1c(Cl)ccc(F)c1Cl)c1nccs1 ZINC000080266524 341271696 /nfs/dbraw/zinc/27/16/96/341271696.db2.gz MYJIXEZNINVMDB-YUMQZZPRSA-N 0 0 319.232 5.001 10 0 DKAERN C[C@@H](N[C@@H](C)c1nccs1)c1c(Cl)ccc(F)c1Cl ZINC000080266526 341271677 /nfs/dbraw/zinc/27/16/77/341271677.db2.gz MYJIXEZNINVMDB-SFYZADRCSA-N 0 0 319.232 5.001 10 0 DKAERN C[C@@H](N[C@@H](C)c1c(Cl)ccc(F)c1Cl)c1nccs1 ZINC000080266530 341271763 /nfs/dbraw/zinc/27/17/63/341271763.db2.gz MYJIXEZNINVMDB-JGVFFNPUSA-N 0 0 319.232 5.001 10 0 DKAERN C[C@@H](N[C@H](C)c1c(Cl)ccc(F)c1Cl)c1nccs1 ZINC000080266533 341271733 /nfs/dbraw/zinc/27/17/33/341271733.db2.gz MYJIXEZNINVMDB-HTQZYQBOSA-N 0 0 319.232 5.001 10 0 DKAERN Cc1cc(C)cc(CSCc2ccccc2Br)c1 ZINC000082186888 185174536 /nfs/dbraw/zinc/17/45/36/185174536.db2.gz QRPLKIMZZOAIHT-UHFFFAOYSA-N 0 0 321.283 5.499 10 0 DKAERN O=C(c1ccc(Br)c2ccccc12)C1CCCCC1 ZINC000082726320 185197404 /nfs/dbraw/zinc/19/74/04/185197404.db2.gz TYCFBXNJFWNEOJ-UHFFFAOYSA-N 0 0 317.226 5.365 10 0 DKAERN Clc1cc(Cl)c2cc(OCc3ccccc3)ccc2n1 ZINC000082788880 185203511 /nfs/dbraw/zinc/20/35/11/185203511.db2.gz RCQTWXHZNWUVPZ-UHFFFAOYSA-N 0 0 304.176 5.121 10 0 DKAERN COc1c(C(C)(C)C)cc(C(=O)c2ccccc2)cc1C(C)(C)C ZINC000083153160 185214491 /nfs/dbraw/zinc/21/44/91/185214491.db2.gz NLPAWWZHINYDOY-UHFFFAOYSA-N 0 0 324.464 5.521 10 0 DKAERN Cc1cc(C)c(C(=O)C2CCCCC2)c(C)c1Br ZINC000083229201 185221148 /nfs/dbraw/zinc/22/11/48/185221148.db2.gz VVEUZEKLJYQZOH-UHFFFAOYSA-N 0 0 309.247 5.137 10 0 DKAERN CC(C)COc1ccc(-c2ccc(Br)cc2)cc1 ZINC000084220392 192414843 /nfs/dbraw/zinc/41/48/43/192414843.db2.gz AEPQSQFIPXTVHS-UHFFFAOYSA-N 0 0 305.215 5.151 10 0 DKAERN O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000085347813 563520612 /nfs/dbraw/zinc/52/06/12/563520612.db2.gz ICOWQYTZNMUQOP-UHFFFAOYSA-N 0 0 314.384 5.199 10 0 DKAERN F/C(=C(/F)c1cccc2ccccc21)c1cccc2ccccc21 ZINC000087492923 185226851 /nfs/dbraw/zinc/22/68/51/185226851.db2.gz AHFBCJARPPCORI-QURGRASLSA-N 0 0 316.350 6.758 10 0 DKAERN C1=Cc2ccc(-c3ccccc3)c3c2c1ccc3-c1ccccc1 ZINC000087493229 185226809 /nfs/dbraw/zinc/22/68/09/185226809.db2.gz LIQBNERRXVWVBR-UHFFFAOYSA-N 0 0 304.392 6.658 10 0 DKAERN CC/C=C/C/C=C/C/C=C\C/C=C\CCCCCCC(=O)OC ZINC000090372626 192922043 /nfs/dbraw/zinc/92/20/43/192922043.db2.gz OHQGIWOBGITZPC-CRVULPDVSA-N 0 0 318.501 6.305 10 0 DKAERN Cc1[nH]c2cccc(Br)c2c1Sc1ccccc1 ZINC000090373635 185293172 /nfs/dbraw/zinc/29/31/72/185293172.db2.gz URBVJGSRPYASQX-UHFFFAOYSA-N 0 0 318.239 5.390 10 0 DKAERN Cc1cc(C)c(-n2c(-c3ccccc3)cc3ccccc32)c(C)c1 ZINC000090376286 185293402 /nfs/dbraw/zinc/29/34/02/185293402.db2.gz BWJMQIUUKNJRTC-UHFFFAOYSA-N 0 0 311.428 6.223 10 0 DKAERN Cc1ccc(-c2[nH]cc3ccc(Br)cc32)c(C)c1 ZINC000090377335 185293367 /nfs/dbraw/zinc/29/33/67/185293367.db2.gz SEFLEVPQVOXUIH-UHFFFAOYSA-N 0 0 300.199 5.214 10 0 DKAERN Cc1ccc(-c2c3ccccc3nn2Cc2cccc(C)c2)cc1 ZINC000090378158 185293287 /nfs/dbraw/zinc/29/32/87/185293287.db2.gz XQTHKANSYFJSKB-UHFFFAOYSA-N 0 0 312.416 5.368 10 0 DKAERN Cc1ccc(Cn2nc3ccccc3c2-c2ccc(C)cc2)cc1 ZINC000090378294 185293220 /nfs/dbraw/zinc/29/32/20/185293220.db2.gz YHDPAXYXJFIYGV-UHFFFAOYSA-N 0 0 312.416 5.368 10 0 DKAERN Cc1cnc2c(Br)cccc2c1Oc1ccccc1 ZINC000090399616 185294355 /nfs/dbraw/zinc/29/43/55/185294355.db2.gz DAAAZYUQFZPNRE-UHFFFAOYSA-N 0 0 314.182 5.098 10 0 DKAERN Cc1cc2c(Cl)cccc2c(-c2cnc3ccccc3c2)n1 ZINC000090400373 185294351 /nfs/dbraw/zinc/29/43/51/185294351.db2.gz CBWRPZILSIUSAY-UHFFFAOYSA-N 0 0 304.780 5.412 10 0 DKAERN Cc1cc2c(ccc(Cl)c2CC(Cl)(Cl)Cl)cn1 ZINC000090411383 185294807 /nfs/dbraw/zinc/29/48/07/185294807.db2.gz JAIHWHZTWPRAPE-UHFFFAOYSA-N 0 0 309.023 5.109 10 0 DKAERN CCc1c[nH]c2c1cc(Br)cc2-c1ccccc1 ZINC000090415347 185295154 /nfs/dbraw/zinc/29/51/54/185295154.db2.gz GEJYSNNBQPGAQU-UHFFFAOYSA-N 0 0 300.199 5.160 10 0 DKAERN CCCCC/C=C/C/C=C\CC/C=C\CCCC(=O)OCC ZINC000090427635 185295705 /nfs/dbraw/zinc/29/57/05/185295705.db2.gz VNRWOSFYACMRHX-TZWCEVPCSA-N 0 0 306.490 6.139 10 0 DKAERN CCCCC/C=C/C/C=C/CC/C=C\CCCC(=O)OCC ZINC000090427638 185295552 /nfs/dbraw/zinc/29/55/52/185295552.db2.gz VNRWOSFYACMRHX-IQSTWKCPSA-N 0 0 306.490 6.139 10 0 DKAERN CCCCc1cccc(-c2cnc(C)nc2NC2CCCC2)c1 ZINC000090429030 185295553 /nfs/dbraw/zinc/29/55/53/185295553.db2.gz SAFXUQXGJZLMGA-UHFFFAOYSA-N 0 0 309.457 5.149 10 0 DKAERN CCSC1=C(SCC)SC(=C2CCC(=O)CC2)S1 ZINC000090476184 185298275 /nfs/dbraw/zinc/29/82/75/185298275.db2.gz QTHVDLXNSRYEAB-UHFFFAOYSA-N 0 0 318.554 5.454 10 0 DKAERN Clc1c[nH]c2c1c(-c1ccccc1)ccc2Br ZINC000090483723 185298704 /nfs/dbraw/zinc/29/87/04/185298704.db2.gz LEVQVWBEDDXMRA-UHFFFAOYSA-N 0 0 306.590 5.251 10 0 DKAERN Oc1c(-c2ccccc2C(F)(F)F)cc(Cl)c2cccnc12 ZINC000090483906 185298538 /nfs/dbraw/zinc/29/85/38/185298538.db2.gz GLWVMBYSRYYVKM-UHFFFAOYSA-N 0 0 323.701 5.280 10 0 DKAERN Clc1cc(Cl)c2c(c1)/C(=C/c1ccccc1)SC=N2 ZINC000090484250 185298549 /nfs/dbraw/zinc/29/85/49/185298549.db2.gz SRRDWCVFMHZALO-NSIKDUERSA-N 0 0 306.217 5.898 10 0 DKAERN Clc1cccc(-c2cc(-c3ccc(Cl)cc3Cl)no2)c1 ZINC000090485529 185298590 /nfs/dbraw/zinc/29/85/90/185298590.db2.gz KMFHNWDCXSMWSK-UHFFFAOYSA-N 0 0 324.594 5.969 10 0 DKAERN Cc1nc(Cl)cc(-c2ccc(Cl)cc2)c1Br ZINC000090487125 185298805 /nfs/dbraw/zinc/29/88/05/185298805.db2.gz WUZAVZRRGPUTKD-UHFFFAOYSA-N 0 0 317.013 5.126 10 0 DKAERN FC(F)(F)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 ZINC000090487152 185298965 /nfs/dbraw/zinc/29/89/65/185298965.db2.gz VSJKSKOCYFMVKZ-UHFFFAOYSA-N 0 0 322.717 5.212 10 0 DKAERN Clc1ccc(-c2ccnc(Cl)c2-c2ccncc2)cc1 ZINC000090487211 185298875 /nfs/dbraw/zinc/29/88/75/185298875.db2.gz DPYJBVHUBNKKNL-UHFFFAOYSA-N 0 0 301.176 5.117 10 0 DKAERN Cc1ccc2oc(-c3ccc(Cl)cc3)c(C(F)(F)F)c2c1 ZINC000090487474 185298957 /nfs/dbraw/zinc/29/89/57/185298957.db2.gz RJTQANIAZAZEPR-UHFFFAOYSA-N 0 0 310.702 6.080 10 0 DKAERN Cc1[nH]c2ccc(Cl)cc2c1Sc1ccc(Cl)cc1 ZINC000090487924 185298796 /nfs/dbraw/zinc/29/87/96/185298796.db2.gz KHZVVLZZOYSKBT-UHFFFAOYSA-N 0 0 308.233 5.934 10 0 DKAERN COc1cc2oc(C)c(-c3cccc4ccccc43)c2c(OC)c1 ZINC000090528100 185300790 /nfs/dbraw/zinc/30/07/90/185300790.db2.gz BTUPAQFLWZKQMI-UHFFFAOYSA-N 0 0 318.372 5.579 10 0 DKAERN COc1cc2oc(C)c(-c3ccccc3Cl)c2c(OC)c1 ZINC000090528102 185300745 /nfs/dbraw/zinc/30/07/45/185300745.db2.gz PGGUTTASSDAYBV-UHFFFAOYSA-N 0 0 302.757 5.079 10 0 DKAERN COc1cc2occ(-c3ccc(C(F)(F)F)cc3)c2c(OC)c1 ZINC000090528148 185300612 /nfs/dbraw/zinc/30/06/12/185300612.db2.gz REGKWURLTVHOME-UHFFFAOYSA-N 0 0 322.282 5.136 10 0 DKAERN Brc1ccc2c(c1)C1(CCCCC1)c1ccccc1-2 ZINC000090549910 185302404 /nfs/dbraw/zinc/30/24/04/185302404.db2.gz JLBXMPBCAYRQSZ-UHFFFAOYSA-N 0 0 313.238 5.680 10 0 DKAERN CSc1c2cc(-c3ccccc3)ccc2oc1-c1ccccc1 ZINC000090556903 185303249 /nfs/dbraw/zinc/30/32/49/185303249.db2.gz NEWOUIVSEGVVKW-UHFFFAOYSA-N 0 0 316.425 6.489 10 0 DKAERN CSc1ccc(-c2cc(Cl)nn2-c2ccc(F)cc2)cc1 ZINC000090556948 185303200 /nfs/dbraw/zinc/30/32/00/185303200.db2.gz SACTTXJEMMCHPF-UHFFFAOYSA-N 0 0 318.804 5.054 10 0 DKAERN FC(F)(F)c1ccc(-n2c3ccccc3c3ccccc32)cc1 ZINC000090557514 185303263 /nfs/dbraw/zinc/30/32/63/185303263.db2.gz PDSJGMJNENPXCK-UHFFFAOYSA-N 0 0 311.306 5.803 10 0 DKAERN O=c1cc(-c2ccccc2)oc2ccc(-c3ccc(F)cc3)cc12 ZINC000090558222 185303063 /nfs/dbraw/zinc/30/30/63/185303063.db2.gz WSVQSCPATULGSQ-UHFFFAOYSA-N 0 0 316.331 5.266 10 0 DKAERN Nc1c(-c2ccccc2)cc(-c2ccncc2)cc1-c1ccccc1 ZINC000090588001 185305462 /nfs/dbraw/zinc/30/54/62/185305462.db2.gz UDJBCWBIEPODNN-UHFFFAOYSA-N 0 0 322.411 5.665 10 0 DKAERN O=C(c1ccccc1)[C@@H](c1ccccc1)c1cnc2ccccc2c1 ZINC000090623461 185307136 /nfs/dbraw/zinc/30/71/36/185307136.db2.gz NVUSMKJPQIFUGM-QFIPXVFZSA-N 0 0 323.395 5.250 10 0 DKAERN O=C(c1ccccc1)[C@H](c1ccccc1)c1cnc2ccccc2c1 ZINC000090623462 185307251 /nfs/dbraw/zinc/30/72/51/185307251.db2.gz NVUSMKJPQIFUGM-JOCHJYFZSA-N 0 0 323.395 5.250 10 0 DKAERN O=c1oc(-c2ccccc2)ccc1-c1ccc(-c2ccccc2)o1 ZINC000090662808 185308741 /nfs/dbraw/zinc/30/87/41/185308741.db2.gz XZUQQHZKLKHFJS-UHFFFAOYSA-N 0 0 314.340 5.234 10 0 DKAERN O=Cc1c2c(ccc1O)oc(-c1ccccc1)c2-c1ccccc1 ZINC000090668730 185308813 /nfs/dbraw/zinc/30/88/13/185308813.db2.gz HAWWNWBKOJPAEQ-UHFFFAOYSA-N 0 0 314.340 5.285 10 0 DKAERN O=Cc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 ZINC000090669156 185308853 /nfs/dbraw/zinc/30/88/53/185308853.db2.gz GKNKKYRULMLSNM-UHFFFAOYSA-N 0 0 324.383 5.223 10 0 DKAERN O=Cc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000090669518 185308914 /nfs/dbraw/zinc/30/89/14/185308914.db2.gz VXIIAOGWSFEIHE-UHFFFAOYSA-N 0 0 324.245 5.265 10 0 DKAERN Oc1c(-c2cc3ccccc3s2)cc(Cl)c2cccnc12 ZINC000090698087 185309792 /nfs/dbraw/zinc/30/97/92/185309792.db2.gz HKWYDSLFEOLQGA-UHFFFAOYSA-N 0 0 311.793 5.476 10 0 DKAERN C1=C(c2ccccc2)N(C(c2ccccc2)c2ccccc2)OC1 ZINC000090751422 192928349 /nfs/dbraw/zinc/92/83/49/192928349.db2.gz RVSBWUHSWPNTMY-UHFFFAOYSA-N 0 0 313.400 5.064 10 0 DKAERN Cc1ccc([C@H](C)c2ccc([C@H](C)c3ccccc3)cc2)cc1C ZINC000090765278 192930467 /nfs/dbraw/zinc/93/04/67/192930467.db2.gz NTASRDMNIODWLU-WOJBJXKFSA-N 0 0 314.472 6.607 10 0 DKAERN Fc1c(Cl)c(F)c(C(Cl)(Cl)Cl)c(F)c1Cl ZINC000091251909 193027181 /nfs/dbraw/zinc/02/71/81/193027181.db2.gz ZMJYBDHSSLHORR-UHFFFAOYSA-N 0 0 318.336 5.237 10 0 DKAERN FC(F)(F)c1ccccc1CSc1cc(Cl)ccn1 ZINC000091361997 193046026 /nfs/dbraw/zinc/04/60/26/193046026.db2.gz SETOWHOPGOGPCG-UHFFFAOYSA-N 0 0 303.736 5.046 10 0 DKAERN FC(F)(F)c1cccc(CSc2cc(Cl)ccn2)c1 ZINC000091362057 193046347 /nfs/dbraw/zinc/04/63/47/193046347.db2.gz IGICJQOLMFUICV-UHFFFAOYSA-N 0 0 303.736 5.046 10 0 DKAERN FC(F)(F)c1ccc(CSc2cc(Cl)ccn2)cc1 ZINC000091362092 193046523 /nfs/dbraw/zinc/04/65/23/193046523.db2.gz HJFIEDZDBCIKEF-UHFFFAOYSA-N 0 0 303.736 5.046 10 0 DKAERN O=Cc1ccc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1 ZINC000091363851 193046353 /nfs/dbraw/zinc/04/63/53/193046353.db2.gz IDNUWUNODFXHRH-UHFFFAOYSA-N 0 0 318.216 5.204 10 0 DKAERN FC(F)(F)c1ccc(-c2ccc(Cl)cc2)c(C(F)(F)F)c1 ZINC000091366050 193047174 /nfs/dbraw/zinc/04/71/74/193047174.db2.gz JZSHYLCUQKUEFZ-UHFFFAOYSA-N 0 0 324.651 6.045 10 0 DKAERN CCCCCC[C@@H](C)COC(=O)CCCCCCCC1=CC1 ZINC000095082651 193418207 /nfs/dbraw/zinc/41/82/07/193418207.db2.gz WDQLXBLLTMRCFB-GOSISDBHSA-N 0 0 308.506 6.197 10 0 DKAERN c1csc(-c2ccc(-c3ccc(-c4cccs4)cn3)nc2)c1 ZINC000095093251 193422962 /nfs/dbraw/zinc/42/29/62/193422962.db2.gz FBTMQCBISODSPK-UHFFFAOYSA-N 0 0 320.442 5.601 10 0 DKAERN Clc1ccc(Cl)c(-c2nc(-c3ccccc3)cs2)c1 ZINC000095562865 185380012 /nfs/dbraw/zinc/38/00/12/185380012.db2.gz MFZYMZIUKNNZSG-UHFFFAOYSA-N 0 0 306.217 5.784 10 0 DKAERN Brc1cccc(-c2nc(-c3ccccc3)cs2)c1 ZINC000095563961 185380143 /nfs/dbraw/zinc/38/01/43/185380143.db2.gz DSZFUGCHOLVVRX-UHFFFAOYSA-N 0 0 316.223 5.240 10 0 DKAERN C[C@H](c1ccccc1)[C@H]1CC[C@H](c2ccccc2)c2ccccc21 ZINC000095620638 185382665 /nfs/dbraw/zinc/38/26/65/185382665.db2.gz GJJWHYDGEZUFOW-STZQEDGTSA-N 0 0 312.456 6.500 10 0 endogenous,in-man DKAERN Brc1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000095634918 185383009 /nfs/dbraw/zinc/38/30/09/185383009.db2.gz HLOSWCIYSANMIF-UHFFFAOYSA-N 0 0 316.223 5.240 10 0 DKAERN Cc1cccc(C(=O)c2cccc(C)c2C2CCC2)c1C1CCC1 ZINC000095933768 193450497 /nfs/dbraw/zinc/45/04/97/193450497.db2.gz SVPUWPHTMOZKAR-UHFFFAOYSA-N 0 0 318.460 6.069 10 0 DKAERN C[C@@H](c1ccccc1)[C@]1(C)C[C@H](c2ccccc2)c2ccccc21 ZINC000095934728 193450397 /nfs/dbraw/zinc/45/03/97/193450397.db2.gz KWUNDYOLBBLGIZ-ANJVHQHFSA-N 0 0 312.456 6.284 10 0 DKAERN C[C@H](c1ccccc1)[C@]1(C)C[C@H](c2ccccc2)c2ccccc21 ZINC000095934729 193449883 /nfs/dbraw/zinc/44/98/83/193449883.db2.gz KWUNDYOLBBLGIZ-XANCMCCPSA-N 0 0 312.456 6.284 10 0 DKAERN C[C@H](c1ccccc1)[C@@]1(C)C[C@H](c2ccccc2)c2ccccc21 ZINC000095934731 193450314 /nfs/dbraw/zinc/45/03/14/193450314.db2.gz KWUNDYOLBBLGIZ-IHLLOCCUSA-N 0 0 312.456 6.284 10 0 DKAERN C[C@@H](C[C@H]1C[C@H](c2ccccc2)c2ccccc21)c1ccccc1 ZINC000095934761 193449990 /nfs/dbraw/zinc/44/99/90/193449990.db2.gz JOJLONCHKZAGGP-NSXLHWASSA-N 0 0 312.456 6.500 10 0 DKAERN C[C@H](C[C@H]1C[C@H](c2ccccc2)c2ccccc21)c1ccccc1 ZINC000095934762 193450360 /nfs/dbraw/zinc/45/03/60/193450360.db2.gz JOJLONCHKZAGGP-UTSGNWPNSA-N 0 0 312.456 6.500 10 0 DKAERN CC(C)(C)OC(=O)N(c1ccccc1)c1cnc2ccccc2c1 ZINC000096032956 563532732 /nfs/dbraw/zinc/53/27/32/563532732.db2.gz ATPKUACCIAEVMT-UHFFFAOYSA-N 0 0 320.392 5.308 10 0 DKAERN CCc1nc(NC2CCCCC2)c2cc(Cl)cc(Cl)c2n1 ZINC000096289550 193610149 /nfs/dbraw/zinc/61/01/49/193610149.db2.gz LRWBXZYSTCLXMR-UHFFFAOYSA-N 0 0 324.255 5.244 10 0 DKAERN CSc1cccc(NC(=O)/C=C\c2cccc3ccccc23)c1 ZINC000096437802 193644985 /nfs/dbraw/zinc/64/49/85/193644985.db2.gz QZECCRWCLLJQOM-SEYXRHQNSA-N 0 0 319.429 5.214 10 0 DKAERN Oc1ccc(/C=C\c2nc3c(ccc4ccccc34)s2)cc1 ZINC000096767137 185386987 /nfs/dbraw/zinc/38/69/87/185386987.db2.gz QBKZMHUXYBAGFC-GHXNOFRVSA-N 0 0 303.386 5.326 10 0 DKAERN C[C@@H]1CC[C@@H](C)P1c1ccccc1P1[C@H](C)CC[C@@H]1C ZINC000098044409 193778002 /nfs/dbraw/zinc/77/80/02/193778002.db2.gz AJNZWRKTWQLAJK-NIZJHMSESA-N 0 0 306.370 5.043 10 0 DKAERN Brc1cccc(-c2cccc(-c3ccccc3)c2)c1 ZINC000098088378 193784659 /nfs/dbraw/zinc/78/46/59/193784659.db2.gz YDFHRBGWDLALOB-UHFFFAOYSA-N 0 0 309.206 5.783 10 0 DKAERN Cc1ccc(Cl)c(Cl)c1Cc1cccc(Cl)c1Cl ZINC000098090386 193784742 /nfs/dbraw/zinc/78/47/42/193784742.db2.gz VFDKJOGFZHCXDA-UHFFFAOYSA-N 0 0 320.046 6.199 10 0 DKAERN CC/C=C\C/C=C/C/C=C\C/C=C\CCCCC(=O)OCC ZINC000098091488 193784601 /nfs/dbraw/zinc/78/46/01/193784601.db2.gz RIDOSNBWMUADGT-YDGHHFCFSA-N 0 0 304.474 5.915 10 0 biogenic DKAERN CC/C=C/C/C=C/C/C=C\C/C=C\CCCCC(=O)OCC ZINC000098091489 193784756 /nfs/dbraw/zinc/78/47/56/193784756.db2.gz RIDOSNBWMUADGT-HLFNKCIWSA-N 0 0 304.474 5.915 10 0 DKAERN O[C@@H](CCc1ccccc1Nc1ccccc1)c1ccccc1 ZINC000098177891 193791529 /nfs/dbraw/zinc/79/15/29/193791529.db2.gz MESPLBBEUAIDGH-NRFANRHFSA-N 0 0 303.405 5.096 10 0 DKAERN Cc1nc2cccc(C(F)(F)F)c2nc1-c1ccccc1Cl ZINC000098177947 193791081 /nfs/dbraw/zinc/79/10/81/193791081.db2.gz GCNPKSVEAFUPGI-UHFFFAOYSA-N 0 0 322.717 5.277 10 0 DKAERN O=C(Cc1ccccc1)c1c(Cl)sc(Cl)c1Cl ZINC000098180105 193791185 /nfs/dbraw/zinc/79/11/85/193791185.db2.gz JQAISNAJYOZHBB-UHFFFAOYSA-N 0 0 305.613 5.134 10 0 DKAERN c1ccc(OC[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1 ZINC000098180327 193791472 /nfs/dbraw/zinc/79/14/72/193791472.db2.gz GQMINZMVLWCVDU-FQEVSTJZSA-N 0 0 300.401 5.072 10 0 DKAERN FC(F)(F)c1nc2scc(-c3ccccc3)c2c(Cl)n1 ZINC000098180527 193791514 /nfs/dbraw/zinc/79/15/14/193791514.db2.gz RAPMXNVDVLPLTI-UHFFFAOYSA-N 0 0 314.719 5.031 10 0 DKAERN CC[C@H]1CC[C@H](c2ccc(-c3cc(F)c(F)c(F)c3)cc2)CC1 ZINC000100041634 563890317 /nfs/dbraw/zinc/89/03/17/563890317.db2.gz IZQPXKDLSVKAMJ-OKILXGFUSA-N 0 0 318.382 6.455 10 0 DKAERN CC[C@H]1CC[C@H](CC[C@H]2CC[C@H](c3ccc(F)cc3)CC2)CC1 ZINC000100041657 563497206 /nfs/dbraw/zinc/49/72/06/563497206.db2.gz PDTDHEPDBAQERK-FGYAAKKASA-N 0 0 316.504 7.096 10 0 DKAERN CCCC[C@@H](CC)C[C@@H]1CCC[C@@H](C[C@H](CC)CCCC)C1O ZINC000100051534 193793544 /nfs/dbraw/zinc/79/35/44/193793544.db2.gz MEVPWSGMRKHLRE-CGXNFDGLSA-N 0 0 324.593 6.977 10 0 DKAERN C=CC1=C(Cl)/C(=C/C=C2/N(C)c3ccccc3C2(C)C)CC1 ZINC000100202231 193796313 /nfs/dbraw/zinc/79/63/13/193796313.db2.gz QOWHOFCKSQSQOY-PYEASBQRSA-N 0 0 311.856 5.697 10 0 DKAERN C[C@H](c1ccccc1)c1ccccc1[C@@H]1C[C@H](C)c2ccccc21 ZINC000100360247 257232242 /nfs/dbraw/zinc/23/22/42/257232242.db2.gz AFRNTNXQRVUPKW-HOOSLVGPSA-N 0 0 312.456 6.478 10 0 DKAERN C[C@H](c1ccccc1)c1ccccc1[C@H]1C[C@H](C)c2ccccc21 ZINC000100360251 257232243 /nfs/dbraw/zinc/23/22/43/257232243.db2.gz AFRNTNXQRVUPKW-RHGYRFJNSA-N 0 0 312.456 6.478 10 0 DKAERN Clc1ccc(/C=C\c2nc3c(ccc4ccccc34)s2)cc1 ZINC000103688468 193951033 /nfs/dbraw/zinc/95/10/33/193951033.db2.gz VWWMBYBEMLXPPH-GHXNOFRVSA-N 0 0 321.832 6.273 10 0 DKAERN CC(C)(C)[C@@H]1CCC(=O)[C@H](Cc2ccc(Br)cc2)C1 ZINC000109655012 563910769 /nfs/dbraw/zinc/91/07/69/563910769.db2.gz HVSJLRUHAWXFOK-ZIAGYGMSSA-N 0 0 323.274 5.023 10 0 DKAERN CC(C)(C)[C@H]1CCC(=O)[C@H](Cc2ccc(Br)cc2)C1 ZINC000109655016 563569626 /nfs/dbraw/zinc/56/96/26/563569626.db2.gz HVSJLRUHAWXFOK-KGLIPLIRSA-N 0 0 323.274 5.023 10 0 DKAERN CC(C)(C)[C@@H]1CCC(=O)[C@@H](Cc2ccc(Br)cc2)C1 ZINC000109655018 563910790 /nfs/dbraw/zinc/91/07/90/563910790.db2.gz HVSJLRUHAWXFOK-UONOGXRCSA-N 0 0 323.274 5.023 10 0 DKAERN CC(C)(C)[C@H]1CCC(=O)[C@@H](Cc2ccc(Br)cc2)C1 ZINC000109655021 563910802 /nfs/dbraw/zinc/91/08/02/563910802.db2.gz HVSJLRUHAWXFOK-KBPBESRZSA-N 0 0 323.274 5.023 10 0 DKAERN Clc1cc(Cl)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC000110619184 194342524 /nfs/dbraw/zinc/34/25/24/194342524.db2.gz XGLURXDMKXERQK-UHFFFAOYSA-N 0 0 301.176 5.117 10 0 DKAERN Clc1cc(Cl)nc(-c2cccc(Oc3ccccc3)c2)n1 ZINC000110920359 194369618 /nfs/dbraw/zinc/36/96/18/194369618.db2.gz OBWANXYEHNEFKV-UHFFFAOYSA-N 0 0 317.175 5.243 10 0 DKAERN CCc1ccc([C@@H](C)c2ccccc2[C@H](C)c2ccccc2)cc1 ZINC000111895578 194421715 /nfs/dbraw/zinc/42/17/15/194421715.db2.gz MPQIOAJJRCPJPV-RTBURBONSA-N 0 0 314.472 6.553 10 0 DKAERN CCc1ccc([C@H](C)c2ccccc2[C@H](C)c2ccccc2)cc1 ZINC000111895581 194422447 /nfs/dbraw/zinc/42/24/47/194422447.db2.gz MPQIOAJJRCPJPV-MOPGFXCFSA-N 0 0 314.472 6.553 10 0 DKAERN c1ccc(-c2cnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000113088159 194555638 /nfs/dbraw/zinc/55/56/38/194555638.db2.gz OCQQXLPLQWPKFG-UHFFFAOYSA-N 0 0 308.384 5.478 10 0 DKAERN Brc1cc2c3ccccc3n3c4ccccc4c(c1)c23 ZINC000114736831 563923583 /nfs/dbraw/zinc/92/35/83/563923583.db2.gz HJZQSJLJBZFEDS-UHFFFAOYSA-N 0 0 320.189 5.599 10 0 DKAERN Cc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116476164 337392693 /nfs/dbraw/zinc/39/26/93/337392693.db2.gz AYQYEWWWAAVMHY-MRXNPFEDSA-N 0 0 312.413 5.080 10 0 DKAERN Cc1cccc(C(C)C)c1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000116476168 337392675 /nfs/dbraw/zinc/39/26/75/337392675.db2.gz AYQYEWWWAAVMHY-INIZCTEOSA-N 0 0 312.413 5.080 10 0 DKAERN CC(C)c1ccc(NCc2ccc(Oc3ccccc3)nc2)cc1 ZINC000117295713 194811785 /nfs/dbraw/zinc/81/17/85/194811785.db2.gz HBGAGJVAKFBGNC-UHFFFAOYSA-N 0 0 318.420 5.609 10 0 DKAERN c1c2cc3oc(-c4ccccc4)cc3cc2oc1-c1ccccc1 ZINC000118163783 563923512 /nfs/dbraw/zinc/92/35/12/563923512.db2.gz QDHGBWBEBOMJCI-UHFFFAOYSA-N 0 0 310.352 6.513 10 0 DKAERN C[C@H](Nc1cccc(-c2cnco2)c1)c1cnc2ccsc2c1 ZINC000126535605 331996303 /nfs/dbraw/zinc/99/63/03/331996303.db2.gz ZBUUFKGEZAPINI-LBPRGKRZSA-N 0 0 321.405 5.124 10 0 DKAERN C[C@H]([NH2+][C@H]1C[C@H](C)Sc2sccc21)c1cccc(Cl)c1 ZINC000130178073 341005174 /nfs/dbraw/zinc/00/51/74/341005174.db2.gz NBDOLXXNOOGRCW-PGUXBMHVSA-N 0 0 323.914 5.678 10 0 DKAERN C[C@H]([NH2+][C@@H]1C[C@H](C)Sc2sccc21)c1cccc(Cl)c1 ZINC000130178302 341005229 /nfs/dbraw/zinc/00/52/29/341005229.db2.gz NBDOLXXNOOGRCW-ZIBATOQPSA-N 0 0 323.914 5.678 10 0 DKAERN C[C@H](N[C@@H](C)c1ccc(-c2ccccc2)cc1)c1nccs1 ZINC000134212784 341209587 /nfs/dbraw/zinc/20/95/87/341209587.db2.gz VTROUNDFDDOPMJ-GJZGRUSLSA-N 0 0 308.450 5.222 10 0 DKAERN C[C@@H](N[C@@H](C)c1nccs1)c1ccc(-c2ccccc2)cc1 ZINC000134212898 341209631 /nfs/dbraw/zinc/20/96/31/341209631.db2.gz VTROUNDFDDOPMJ-CABCVRRESA-N 0 0 308.450 5.222 10 0 DKAERN C[C@@H](N[C@@H](C)c1ccc(-c2ccccc2)cc1)c1nccs1 ZINC000134213003 341209582 /nfs/dbraw/zinc/20/95/82/341209582.db2.gz VTROUNDFDDOPMJ-LSDHHAIUSA-N 0 0 308.450 5.222 10 0 DKAERN C[C@@H](N[C@H](C)c1ccc(-c2ccccc2)cc1)c1nccs1 ZINC000134213107 341209621 /nfs/dbraw/zinc/20/96/21/341209621.db2.gz VTROUNDFDDOPMJ-HUUCEWRRSA-N 0 0 308.450 5.222 10 0 DKAERN CCc1cnc([C@@H](C)Nc2ccnc3cc(Cl)ccc32)s1 ZINC000134928945 341226766 /nfs/dbraw/zinc/22/67/66/341226766.db2.gz UIFNZGVUKCPKAL-SNVBAGLBSA-N 0 0 317.845 5.080 10 0 DKAERN CCc1cnc([C@H](C)Nc2ccnc3cc(Cl)ccc32)s1 ZINC000134928967 341226775 /nfs/dbraw/zinc/22/67/75/341226775.db2.gz UIFNZGVUKCPKAL-JTQLQIEISA-N 0 0 317.845 5.080 10 0 DKAERN c1ccc(COc2ccccc2C2SCCCS2)cc1 ZINC000138047825 563924319 /nfs/dbraw/zinc/92/43/19/563924319.db2.gz WVZQQSCOXRGBGI-UHFFFAOYSA-N 0 0 302.464 5.134 10 0 DKAERN Clc1ccc(-c2[nH]c3ccccc3c2-c2ccccc2)cc1 ZINC000138251360 186015774 /nfs/dbraw/zinc/01/57/74/186015774.db2.gz RWLNSTLIGOVJSZ-UHFFFAOYSA-N 0 0 303.792 6.155 10 0 DKAERN COC(=O)CCCCCCCCCCCCc1ccccc1 ZINC000138761007 560045359 /nfs/dbraw/zinc/04/53/59/560045359.db2.gz JWVDZXNFGDETQE-UHFFFAOYSA-N 0 0 304.474 5.693 10 0 biogenic,in-vitro DKAERN Clc1cc(Cc2cccc(Cl)c2)c(Br)s1 ZINC000139132973 186020042 /nfs/dbraw/zinc/02/00/42/186020042.db2.gz UMFDKAFPFLUULW-UHFFFAOYSA-N 0 0 322.054 5.408 10 0 DKAERN Cc1cc(-c2ccc(-c3cc(C)c(O)c(C)c3)cc2)cc(C)c1O ZINC000140530175 186026901 /nfs/dbraw/zinc/02/69/01/186026901.db2.gz HKWOMTDPFWXIBN-UHFFFAOYSA-N 0 0 318.416 5.665 10 0 DKAERN CCOC(=O)c1[nH]c2ccccc2c1-c1ccc(C(C)(C)C)cc1 ZINC000140573709 186027614 /nfs/dbraw/zinc/02/76/14/186027614.db2.gz HQKRONTYTFHUAU-UHFFFAOYSA-N 0 0 321.420 5.309 10 0 DKAERN Cc1ccc(Nc2ccc(Nc3ccc(C)cc3C)cc2)cc1 ZINC000140689271 186028027 /nfs/dbraw/zinc/02/80/27/186028027.db2.gz GASQNRZNIDLOOE-UHFFFAOYSA-N 0 0 302.421 6.099 10 0 DKAERN O=C1Nc2cc(Cl)ccc2/C1=C/c1cc(Cl)cc(Cl)c1 ZINC000146620289 186038383 /nfs/dbraw/zinc/03/83/83/186038383.db2.gz AGPIRMYCUVCYBT-ACAGNQJTSA-N 0 0 324.594 5.140 10 0 DKAERN Oc1ccc(C2(c3ccccc3F)CCC(F)(F)CC2)cc1 ZINC000149272000 563924315 /nfs/dbraw/zinc/92/43/15/563924315.db2.gz HSMUKSLNDJOZQG-UHFFFAOYSA-N 0 0 306.327 5.027 10 0 in-vitro DKAERN CC(C)CCCCCO[PH](=O)OCCCCCC(C)C ZINC000150650933 186056492 /nfs/dbraw/zinc/05/64/92/186056492.db2.gz HXYIURVJRFSMCN-UHFFFAOYSA-N 0 0 306.427 5.842 10 0 DKAERN CCCC(CCC)[S@@](=O)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000157104254 519884581 /nfs/dbraw/zinc/88/45/81/519884581.db2.gz UEVTVTBMUUWTNG-RCDICMHDSA-N 0 0 319.470 5.120 10 0 DKAERN CCCC(CCC)[S@](=O)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000157104390 519884687 /nfs/dbraw/zinc/88/46/87/519884687.db2.gz UEVTVTBMUUWTNG-FPTDNZKUSA-N 0 0 319.470 5.120 10 0 DKAERN CCCC(CCC)[S@@](=O)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000157104529 519884735 /nfs/dbraw/zinc/88/47/35/519884735.db2.gz UEVTVTBMUUWTNG-JLCFBVMHSA-N 0 0 319.470 5.120 10 0 DKAERN CCCC(CCC)[S@](=O)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000157104682 519884718 /nfs/dbraw/zinc/88/47/18/519884718.db2.gz UEVTVTBMUUWTNG-PEBXRYMYSA-N 0 0 319.470 5.120 10 0 DKAERN CCc1nc([C@@H](C)N[C@@H](C)c2sc(C(C)C)nc2C)cs1 ZINC000162303638 522422996 /nfs/dbraw/zinc/42/29/96/522422996.db2.gz VMNPEYNHDHFLCA-MNOVXSKESA-N 0 0 323.531 5.006 10 0 DKAERN CCc1nc([C@H](C)N[C@@H](C)c2sc(C(C)C)nc2C)cs1 ZINC000162303763 522453977 /nfs/dbraw/zinc/45/39/77/522453977.db2.gz VMNPEYNHDHFLCA-QWRGUYRKSA-N 0 0 323.531 5.006 10 0 DKAERN CCc1nc([C@@H](C)N[C@H](C)c2sc(C(C)C)nc2C)cs1 ZINC000162303876 522421796 /nfs/dbraw/zinc/42/17/96/522421796.db2.gz VMNPEYNHDHFLCA-GHMZBOCLSA-N 0 0 323.531 5.006 10 0 DKAERN CCc1nc([C@H](C)N[C@H](C)c2sc(C(C)C)nc2C)cs1 ZINC000162303972 522454894 /nfs/dbraw/zinc/45/48/94/522454894.db2.gz VMNPEYNHDHFLCA-WDEREUQCSA-N 0 0 323.531 5.006 10 0 DKAERN C[C@H](Nc1ccc(SC2CCCC2)cc1)c1cncs1 ZINC000165172563 339052805 /nfs/dbraw/zinc/05/28/05/339052805.db2.gz OISRLFAYRPRIBU-LBPRGKRZSA-N 0 0 304.484 5.351 10 0 DKAERN C[C@@H](Nc1ccc(SC2CCCC2)cc1)c1cncs1 ZINC000165172623 339052882 /nfs/dbraw/zinc/05/28/82/339052882.db2.gz OISRLFAYRPRIBU-GFCCVEGCSA-N 0 0 304.484 5.351 10 0 DKAERN C[C@@H](NCc1cccc(F)c1Cl)c1ccc(Cl)s1 ZINC000166342058 339053060 /nfs/dbraw/zinc/05/30/60/339053060.db2.gz GARGSJNGLVEIFK-MRVPVSSYSA-N 0 0 304.217 5.045 10 0 DKAERN C/C(=C(\c1ccccc1)c1ccccn1)c1cccc(Cl)c1 ZINC000169324672 197741817 /nfs/dbraw/zinc/74/18/17/197741817.db2.gz UOMXMMMOQIRBIP-HKWRFOASSA-N 0 0 305.808 5.714 10 0 DKAERN C/C(=C(\c1ccc(O)cc1)c1ccccn1)c1cccc(Cl)c1 ZINC000169324678 197741700 /nfs/dbraw/zinc/74/17/00/197741700.db2.gz PKLPJWCVYCFQNM-ZHZULCJRSA-N 0 0 321.807 5.420 10 0 DKAERN ClC1(Cl)CC12CC1CC(C2)CC2(CC2(Cl)Cl)C1 ZINC000169422241 563646838 /nfs/dbraw/zinc/64/68/38/563646838.db2.gz IQSDKPPNAXKCNP-UHFFFAOYSA-N 0 0 314.083 5.325 10 0 DKAERN Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccccc2Cl)o1 ZINC000173197487 340360034 /nfs/dbraw/zinc/36/00/34/340360034.db2.gz REAQJNYLYBVXTB-HNNXBMFYSA-N 0 0 318.804 5.001 10 0 DKAERN Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccccc2Cl)o1 ZINC000173197501 340360136 /nfs/dbraw/zinc/36/01/36/340360136.db2.gz REAQJNYLYBVXTB-OAHLLOKOSA-N 0 0 318.804 5.001 10 0 DKAERN CC(C)n1ccnc1CSCc1csc(C2CCCC2)n1 ZINC000175295006 332884160 /nfs/dbraw/zinc/88/41/60/332884160.db2.gz IRYPTUSGHVEGRB-UHFFFAOYSA-N 0 0 321.515 5.012 10 0 DKAERN C[C@@H](N[C@@H](c1ccccc1)c1cccnc1)c1ccccc1Cl ZINC000177289909 340438836 /nfs/dbraw/zinc/43/88/36/340438836.db2.gz QLTQTIGAWFSVLJ-QRWLVFNGSA-N 0 0 322.839 5.175 10 0 DKAERN C[C@H](N[C@H](c1ccccc1)c1cccnc1)c1ccccc1Cl ZINC000177289918 340438910 /nfs/dbraw/zinc/43/89/10/340438910.db2.gz QLTQTIGAWFSVLJ-MGPUTAFESA-N 0 0 322.839 5.175 10 0 DKAERN C[C@@H](N[C@H](c1ccccc1)c1cccnc1)c1ccccc1Cl ZINC000177289932 340438826 /nfs/dbraw/zinc/43/88/26/340438826.db2.gz QLTQTIGAWFSVLJ-FOIQADDNSA-N 0 0 322.839 5.175 10 0 DKAERN C[C@H](N[C@@H](C)c1ccc2ccccc2c1)c1ncc(C(C)(C)C)o1 ZINC000177410866 340440113 /nfs/dbraw/zinc/44/01/13/340440113.db2.gz MHQMJCCNSIZYEY-GJZGRUSLSA-N 0 0 322.452 5.537 10 0 DKAERN C[C@@H](N[C@H](C)c1ccc2ccccc2c1)c1ncc(C(C)(C)C)o1 ZINC000177410921 340440162 /nfs/dbraw/zinc/44/01/62/340440162.db2.gz MHQMJCCNSIZYEY-HUUCEWRRSA-N 0 0 322.452 5.537 10 0 DKAERN CC(C)c1ccc([C@H](C)N[C@@H](C)c2ncc(C(C)(C)C)o2)cc1 ZINC000177411464 340440214 /nfs/dbraw/zinc/44/02/14/340440214.db2.gz UKTVDENVNXJDQW-GJZGRUSLSA-N 0 0 314.473 5.507 10 0 DKAERN C[C@@H](N[C@@H](C)c1ccc(F)c(Cl)c1)c1ncc(C(C)(C)C)o1 ZINC000177437155 525606492 /nfs/dbraw/zinc/60/64/92/525606492.db2.gz FFGCPYGXKHTIIO-WDEREUQCSA-N 0 0 324.827 5.176 10 0 DKAERN Cc1cc([C@@H](C)[NH2+][C@@H](c2ccccc2)c2cccnc2)c(C)s1 ZINC000178607213 337165380 /nfs/dbraw/zinc/16/53/80/337165380.db2.gz AAXFTQGUJNNMFM-QRWLVFNGSA-N 0 0 322.477 5.200 10 0 DKAERN Cc1cc([C@H](C)[NH2+][C@@H](c2ccccc2)c2cccnc2)c(C)s1 ZINC000178607222 337165372 /nfs/dbraw/zinc/16/53/72/337165372.db2.gz AAXFTQGUJNNMFM-YWZLYKJASA-N 0 0 322.477 5.200 10 0 DKAERN Cc1cc([C@@H](C)[NH2+][C@H](c2ccccc2)c2cccnc2)c(C)s1 ZINC000178607235 337165370 /nfs/dbraw/zinc/16/53/70/337165370.db2.gz AAXFTQGUJNNMFM-FOIQADDNSA-N 0 0 322.477 5.200 10 0 DKAERN Cc1cc([C@H](C)[NH2+][C@H](c2ccccc2)c2cccnc2)c(C)s1 ZINC000178607247 337165528 /nfs/dbraw/zinc/16/55/28/337165528.db2.gz AAXFTQGUJNNMFM-MGPUTAFESA-N 0 0 322.477 5.200 10 0 DKAERN CC[C@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1ccc(F)cc1 ZINC000178612934 337165512 /nfs/dbraw/zinc/16/55/12/337165512.db2.gz GNBHKFRJWVMGOK-SFTDATJTSA-N 0 0 320.411 5.051 10 0 DKAERN CC[C@@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1ccc(F)cc1 ZINC000178612945 337165447 /nfs/dbraw/zinc/16/54/47/337165447.db2.gz GNBHKFRJWVMGOK-RTWAWAEBSA-N 0 0 320.411 5.051 10 0 DKAERN CC[C@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1ccc(F)cc1 ZINC000178612957 337165382 /nfs/dbraw/zinc/16/53/82/337165382.db2.gz GNBHKFRJWVMGOK-LEWJYISDSA-N 0 0 320.411 5.051 10 0 DKAERN CC[C@@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1ccc(F)cc1 ZINC000178612967 337165507 /nfs/dbraw/zinc/16/55/07/337165507.db2.gz GNBHKFRJWVMGOK-NHCUHLMSSA-N 0 0 320.411 5.051 10 0 DKAERN CC[C@H](N[C@@H](c1ccccc1)c1cccnc1)c1ccccc1F ZINC000180424315 337174380 /nfs/dbraw/zinc/17/43/80/337174380.db2.gz URBNZYXJPWWOKT-SFTDATJTSA-N 0 0 320.411 5.051 10 0 DKAERN CC[C@@H](N[C@@H](c1ccccc1)c1cccnc1)c1ccccc1F ZINC000180424330 337174391 /nfs/dbraw/zinc/17/43/91/337174391.db2.gz URBNZYXJPWWOKT-RTWAWAEBSA-N 0 0 320.411 5.051 10 0 DKAERN CC[C@H](N[C@H](c1ccccc1)c1cccnc1)c1ccccc1F ZINC000180424347 337174416 /nfs/dbraw/zinc/17/44/16/337174416.db2.gz URBNZYXJPWWOKT-LEWJYISDSA-N 0 0 320.411 5.051 10 0 DKAERN CC[C@@H](N[C@H](c1ccccc1)c1cccnc1)c1ccccc1F ZINC000180424373 337174435 /nfs/dbraw/zinc/17/44/35/337174435.db2.gz URBNZYXJPWWOKT-NHCUHLMSSA-N 0 0 320.411 5.051 10 0 DKAERN Cc1cccc(F)c1NC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000182774896 331558056 /nfs/dbraw/zinc/55/80/56/331558056.db2.gz QLPYUKGPTKFSKA-GFCCVEGCSA-N 0 0 320.795 5.012 10 0 DKAERN C[C@H](Nc1cccc(-c2cnco2)c1)c1ccc2ccccc2n1 ZINC000182834904 337190353 /nfs/dbraw/zinc/19/03/53/337190353.db2.gz WNJYCMIWFQLHGT-AWEZNQCLSA-N 0 0 315.376 5.063 10 0 DKAERN C[C@@H](Nc1cccc(-c2cnco2)c1)c1ccc2ccccc2n1 ZINC000182834923 337190370 /nfs/dbraw/zinc/19/03/70/337190370.db2.gz WNJYCMIWFQLHGT-CQSZACIVSA-N 0 0 315.376 5.063 10 0 DKAERN CC[C@H](N[C@@H](C)c1ncc(-c2ccccc2)o1)c1cccs1 ZINC000184101064 337196264 /nfs/dbraw/zinc/19/62/64/337196264.db2.gz XPFQCCHPDHAURE-ZFWWWQNUSA-N 0 0 312.438 5.205 10 0 DKAERN CC[C@@H](N[C@@H](C)c1ncc(-c2ccccc2)o1)c1cccs1 ZINC000184101080 337196236 /nfs/dbraw/zinc/19/62/36/337196236.db2.gz XPFQCCHPDHAURE-DZGCQCFKSA-N 0 0 312.438 5.205 10 0 DKAERN CC[C@H](N[C@H](C)c1ncc(-c2ccccc2)o1)c1cccs1 ZINC000184101098 337196213 /nfs/dbraw/zinc/19/62/13/337196213.db2.gz XPFQCCHPDHAURE-HIFRSBDPSA-N 0 0 312.438 5.205 10 0 DKAERN CC[C@@H](N[C@H](C)c1ncc(-c2ccccc2)o1)c1cccs1 ZINC000184101113 337196279 /nfs/dbraw/zinc/19/62/79/337196279.db2.gz XPFQCCHPDHAURE-UKRRQHHQSA-N 0 0 312.438 5.205 10 0 DKAERN CC(C)c1nc([C@@H](C)Nc2cccc(-c3cnco3)c2)cs1 ZINC000186480051 337256509 /nfs/dbraw/zinc/25/65/09/337256509.db2.gz OKSWMZVOSWQABP-GFCCVEGCSA-N 0 0 313.426 5.095 10 0 DKAERN CC(C)c1nc([C@H](C)Nc2cccc(-c3cnco3)c2)cs1 ZINC000186480068 337256482 /nfs/dbraw/zinc/25/64/82/337256482.db2.gz OKSWMZVOSWQABP-LBPRGKRZSA-N 0 0 313.426 5.095 10 0 DKAERN CCCc1cccc(C(C)C)c1NC(=O)c1ccc2cc[nH]c2c1 ZINC000191532750 340555333 /nfs/dbraw/zinc/55/53/33/340555333.db2.gz FACAMLRNORPJRB-UHFFFAOYSA-N 0 0 320.436 5.496 10 0 DKAERN Cc1c(Cl)c(CN[C@H](C)c2cccs2)nc2ccccc12 ZINC000193562084 340579811 /nfs/dbraw/zinc/57/98/11/340579811.db2.gz AYICFOHUSZCVHO-GFCCVEGCSA-N 0 0 316.857 5.109 10 0 DKAERN CCCCC[C@H]1/C=C\C=C\CCCCCCCCCC(=O)O1 ZINC000195183326 201355211 /nfs/dbraw/zinc/35/52/11/201355211.db2.gz FUPRUNSBLYORDX-DKOMISIUSA-N 0 0 306.490 6.115 10 0 DKAERN CC(=O)CC[C@H](Sc1nc2ccccc2s1)[Si](C)(C)C ZINC000195781762 201423677 /nfs/dbraw/zinc/42/36/77/201423677.db2.gz KCRFCMVLDPBOIJ-CQSZACIVSA-N 0 0 323.559 5.004 10 0 DKAERN Cc1cc(-c2cc(F)ccc2OC(N)=O)c(C(C)C)cc1Cl ZINC000211378668 201438928 /nfs/dbraw/zinc/43/89/28/201438928.db2.gz PSRNLXQLXHIRTE-UHFFFAOYSA-N 0 0 321.779 5.035 10 0 DKAERN Clc1nccc2c(-c3ccccc3)cn(Cc3ccccc3)c21 ZINC000211646859 201441058 /nfs/dbraw/zinc/44/10/58/201441058.db2.gz UWZGHCXENWRYJB-UHFFFAOYSA-N 0 0 318.807 5.405 10 0 DKAERN CCNc1ccccc1-c1cccc(OCc2ccccc2)c1 ZINC000211658495 333363575 /nfs/dbraw/zinc/36/35/75/333363575.db2.gz NXIAALVETBYKAQ-UHFFFAOYSA-N 0 0 303.405 5.364 10 0 DKAERN C[C@@H](N[C@H](C)c1cc(Cl)sc1Cl)c1cccs1 ZINC000221112358 340521731 /nfs/dbraw/zinc/52/17/31/340521731.db2.gz CCDTWMJGGDIEMH-HTQZYQBOSA-N 0 0 306.283 5.528 10 0 DKAERN C[C@H](N[C@@H](C)c1cc(Cl)sc1Cl)c1cccs1 ZINC000221745441 333365299 /nfs/dbraw/zinc/36/52/99/333365299.db2.gz CCDTWMJGGDIEMH-YUMQZZPRSA-N 0 0 306.283 5.528 10 0 DKAERN C[C@@H](N[C@@H](C)c1cccs1)c1cc(Cl)sc1Cl ZINC000221745503 333365461 /nfs/dbraw/zinc/36/54/61/333365461.db2.gz CCDTWMJGGDIEMH-SFYZADRCSA-N 0 0 306.283 5.528 10 0 DKAERN Cc1ccc([C@@H](C)N[C@@H](C)c2cc(Cl)sc2Cl)o1 ZINC000221783938 333366332 /nfs/dbraw/zinc/36/63/32/333366332.db2.gz HYJUOVGLKBPDEM-DTWKUNHWSA-N 0 0 304.242 5.368 10 0 DKAERN Cc1ccc([C@H](C)N[C@@H](C)c2cc(Cl)sc2Cl)o1 ZINC000221783997 333366433 /nfs/dbraw/zinc/36/64/33/333366433.db2.gz HYJUOVGLKBPDEM-IUCAKERBSA-N 0 0 304.242 5.368 10 0 DKAERN Cc1ccc([C@@H](C)N[C@H](C)c2cc(Cl)sc2Cl)o1 ZINC000221784055 333366322 /nfs/dbraw/zinc/36/63/22/333366322.db2.gz HYJUOVGLKBPDEM-RKDXNWHRSA-N 0 0 304.242 5.368 10 0 DKAERN Cc1ccc([C@H](C)N[C@H](C)c2cc(Cl)sc2Cl)o1 ZINC000221784110 333366389 /nfs/dbraw/zinc/36/63/89/333366389.db2.gz HYJUOVGLKBPDEM-BDAKNGLRSA-N 0 0 304.242 5.368 10 0 DKAERN CCCCCCc1cc(Br)cc(Br)c1 ZINC000222059434 563723877 /nfs/dbraw/zinc/72/38/77/563723877.db2.gz LAKHKLCGQAELGL-UHFFFAOYSA-N 0 0 320.068 5.334 10 0 DKAERN Cc1c([C@H](C)[NH2+][C@@H]2CC[C@@H](C)c3ccccc32)cnn1C(C)C ZINC000248684856 341384356 /nfs/dbraw/zinc/38/43/56/341384356.db2.gz GDXUQYOGTBWYEN-QEEYODRMSA-N 0 0 311.473 5.062 10 0 DKAERN Cc1c([C@H](C)[NH2+][C@H]2CC[C@@H](C)c3ccccc32)cnn1C(C)C ZINC000248684859 341384257 /nfs/dbraw/zinc/38/42/57/341384257.db2.gz GDXUQYOGTBWYEN-SIFCLUCFSA-N 0 0 311.473 5.062 10 0 DKAERN CCC[C@@H]1CC[C@@H]2C[C@@H](OC(=O)c3ccc(F)cc3)CC[C@H]2C1 ZINC000252286705 341425934 /nfs/dbraw/zinc/42/59/34/341425934.db2.gz AXJJCCUOTMQPRW-XZKMEQPCSA-N 0 0 318.432 5.368 10 0 DKAERN CC[C@H]1CC[C@H](c2ccc(-c3ccc(F)c(F)c3)cc2)CC1 ZINC000253533693 563925997 /nfs/dbraw/zinc/92/59/97/563925997.db2.gz TYZNCUASDJPXMP-SHTZXODSSA-N 0 0 300.392 6.316 10 0 DKAERN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253596480 257104942 /nfs/dbraw/zinc/10/49/42/257104942.db2.gz RSRDWHPVTMQUGZ-DTGNRIQCSA-N 0 0 302.502 5.624 10 0 DKAERN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253596481 257105064 /nfs/dbraw/zinc/10/50/64/257105064.db2.gz RSRDWHPVTMQUGZ-KEDMDAKRSA-N 0 0 302.502 5.624 10 0 DKAERN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253596482 257105868 /nfs/dbraw/zinc/10/58/68/257105868.db2.gz RSRDWHPVTMQUGZ-QJSKAATBSA-N 0 0 302.502 5.624 10 0 DKAERN Cc1ccc(N=NC(N=Nc2ccccc2)c2ccccc2)cc1 ZINC000256231789 568421634 /nfs/dbraw/zinc/42/16/34/568421634.db2.gz TYLDKKLAWINVKP-UHFFFAOYSA-N 0 0 314.392 5.553 10 0 DKAERN CCCCCC1=CCC(=O)[C@H]2[C@@H]3C=C(C)C=C[C@@H]3C(C)(C)O[C@H]12 ZINC000263584176 203485820 /nfs/dbraw/zinc/48/58/20/203485820.db2.gz LQBRFFKRJLTQIJ-PIKOESSRSA-N 0 0 314.469 5.491 10 0 DKAERN CCc1cnc([C@@H](C)Nc2ncc(-c3ccccc3)s2)s1 ZINC000301566391 336315398 /nfs/dbraw/zinc/31/53/98/336315398.db2.gz QASBZCFDVQIFQV-LLVKDONJSA-N 0 0 315.467 5.002 10 0 DKAERN CCc1cnc([C@H](C)Nc2ncc(-c3ccccc3)s2)s1 ZINC000301566392 336315434 /nfs/dbraw/zinc/31/54/34/336315434.db2.gz QASBZCFDVQIFQV-NSHDSACASA-N 0 0 315.467 5.002 10 0 DKAERN CCc1cnc([C@H](C)Nc2cc3ccccc3c(Cl)n2)s1 ZINC000301586150 336316695 /nfs/dbraw/zinc/31/66/95/336316695.db2.gz WCGBTHPKDJFSNG-JTQLQIEISA-N 0 0 317.845 5.080 10 0 DKAERN CCc1cnc([C@@H](C)Nc2cc3ccccc3c(Cl)n2)s1 ZINC000301586153 336316579 /nfs/dbraw/zinc/31/65/79/336316579.db2.gz WCGBTHPKDJFSNG-SNVBAGLBSA-N 0 0 317.845 5.080 10 0 DKAERN C[C@@H](Nc1nnc(-c2ccccc2Cl)s1)c1cccs1 ZINC000302139314 336350409 /nfs/dbraw/zinc/35/04/09/336350409.db2.gz CYJDUQGDPILVCO-SECBINFHSA-N 0 0 321.858 5.093 10 0 DKAERN C[C@H](Nc1nnc(-c2ccccc2Cl)s1)c1cccs1 ZINC000302139315 336350326 /nfs/dbraw/zinc/35/03/26/336350326.db2.gz CYJDUQGDPILVCO-VIFPVBQESA-N 0 0 321.858 5.093 10 0 DKAERN CC(C)c1nc([C@@H](C)Nc2ccnc3c(F)cccc23)cs1 ZINC000302747262 336367693 /nfs/dbraw/zinc/36/76/93/336367693.db2.gz SOQKCXSKXUJXKC-LLVKDONJSA-N 0 0 315.417 5.127 10 0 DKAERN CC(C)c1nc([C@H](C)Nc2ccnc3c(F)cccc23)cs1 ZINC000302747263 336367637 /nfs/dbraw/zinc/36/76/37/336367637.db2.gz SOQKCXSKXUJXKC-NSHDSACASA-N 0 0 315.417 5.127 10 0 DKAERN C[C@@H](Nc1ncc(C(F)(F)F)s1)c1ccc(Cl)s1 ZINC000302754124 336367902 /nfs/dbraw/zinc/36/79/02/336367902.db2.gz IAVUSBCSJNOHOB-RXMQYKEDSA-N 0 0 312.769 5.050 10 0 DKAERN C[C@H](Nc1ncc(C(F)(F)F)s1)c1ccc(Cl)s1 ZINC000302754126 336367920 /nfs/dbraw/zinc/36/79/20/336367920.db2.gz IAVUSBCSJNOHOB-YFKPBYRVSA-N 0 0 312.769 5.050 10 0 DKAERN CC/C=C/C/C=C/C/C=C/C/C=C/CCCCCCC(=O)OC ZINC000306146787 528768507 /nfs/dbraw/zinc/76/85/07/528768507.db2.gz OHQGIWOBGITZPC-ARQYDCTJSA-N 0 0 318.501 6.305 10 0 DKAERN CC/C=C/C/C=C/C/C=C/C/C=C\CCCCCCC(=O)OC ZINC000306146788 528768757 /nfs/dbraw/zinc/76/87/57/528768757.db2.gz OHQGIWOBGITZPC-ZOJVMACDSA-N 0 0 318.501 6.305 10 0 DKAERN CC/C=C/C/C=C/C/C=C\C/C=C/CCCCCCC(=O)OC ZINC000306146789 528768479 /nfs/dbraw/zinc/76/84/79/528768479.db2.gz OHQGIWOBGITZPC-ZVDUINIFSA-N 0 0 318.501 6.305 10 0 DKAERN CC/C=C/C/C=C/C/C=C/C/C=C\CCCCC(=O)OCC ZINC000306147002 528768846 /nfs/dbraw/zinc/76/88/46/528768846.db2.gz RIDOSNBWMUADGT-CQTSTPJFSA-N 0 0 304.474 5.915 10 0 DKAERN CC/C=C/C/C=C/C/C=C\C/C=C/CCCCC(=O)OCC ZINC000306147003 528768899 /nfs/dbraw/zinc/76/88/99/528768899.db2.gz RIDOSNBWMUADGT-FDLSLPHMSA-N 0 0 304.474 5.915 10 0 DKAERN CCCCC/C=C/C/C=C/CC/C=C/CCCC(=O)OCC ZINC000306147230 528093540 /nfs/dbraw/zinc/09/35/40/528093540.db2.gz VNRWOSFYACMRHX-WPXFUVLUSA-N 0 0 306.490 6.139 10 0 DKAERN CCCCC/C=C/C/C=C\CC/C=C/CCCC(=O)OCC ZINC000306147231 528093029 /nfs/dbraw/zinc/09/30/29/528093029.db2.gz VNRWOSFYACMRHX-XUTSUYDLSA-N 0 0 306.490 6.139 10 0 DKAERN C[C@@H](NCc1ccsc1Cl)c1ccc(F)c(Cl)c1 ZINC000312765744 331731873 /nfs/dbraw/zinc/73/18/73/331731873.db2.gz ZBBPIJFZQCILPP-MRVPVSSYSA-N 0 0 304.217 5.045 10 0 DKAERN CCn1c2ccccc2c2cc(/C=C/C(=O)OC(C)(C)C)ccc21 ZINC000406004430 563909525 /nfs/dbraw/zinc/90/95/25/563909525.db2.gz CUVIQUIKHMJTEK-ACCUITESSA-N 0 0 321.420 5.169 10 0 DKAERN CC(=O)c1ccc(C)c(Cc2ccc(-c3ccc(F)cc3)s2)c1 ZINC000504468626 257145948 /nfs/dbraw/zinc/14/59/48/257145948.db2.gz NGDMZADFEWPFDZ-UHFFFAOYSA-N 0 0 324.420 5.656 10 0 DKAERN C[C@@H](NCc1ccc(Cl)o1)c1c(Cl)ccc(F)c1Cl ZINC000513649465 340417078 /nfs/dbraw/zinc/41/70/78/340417078.db2.gz XWVWRGOHCMWVTP-SSDOTTSWSA-N 0 0 322.594 5.230 10 0 DKAERN CCCc1c(CC)nc2cc(Br)ccc2c1CC ZINC000536952289 563649951 /nfs/dbraw/zinc/64/99/51/563649951.db2.gz BVLNFDZKGNBEDQ-UHFFFAOYSA-N 0 0 306.247 5.075 10 0 DKAERN Fc1ccc(-c2ccc(Br)cc2)cc1C(F)(F)F ZINC000536959166 563649909 /nfs/dbraw/zinc/64/99/09/563649909.db2.gz PRMPMGAYABPIKR-UHFFFAOYSA-N 0 0 319.095 5.274 10 0 DKAERN FC(F)(F)c1ccccc1-c1cc(Br)cs1 ZINC000536959969 337868658 /nfs/dbraw/zinc/86/86/58/337868658.db2.gz NBVNRBIQZGKCSS-UHFFFAOYSA-N 0 0 307.134 5.196 10 0 DKAERN C[C@@H]1C=C2C=C(Cl)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 ZINC000584591568 337373513 /nfs/dbraw/zinc/37/35/13/337373513.db2.gz BMRSUEGWFSHHSD-UQYBFTDGSA-N 0 0 320.904 5.289 10 0 DKAERN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC=C(C(F)F)C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000584591574 337373521 /nfs/dbraw/zinc/37/35/21/337373521.db2.gz CRYHMIXKHJWLNP-QVSCJOEQSA-N 0 0 324.455 5.191 10 0 DKAERN C[C@]12CC[C@H]3[C@@H](CC=C4C=C(Cl)C=C[C@@]43C)[C@@H]1CCC2=O ZINC000584591592 337373508 /nfs/dbraw/zinc/37/35/08/337373508.db2.gz HTHFAHZOPBLKOA-QAGGRKNESA-N 0 0 302.845 5.027 10 0 DKAERN C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](F)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000584591704 337373506 /nfs/dbraw/zinc/37/35/06/337373506.db2.gz VGRRPRWZLIWTNR-DTMQFJJTSA-N 0 0 306.465 5.038 10 0 DKAERN C[C@]12CC[C@H]3[C@@H](CC=C4C=C(Cl)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000584591759 337373492 /nfs/dbraw/zinc/37/34/92/337373492.db2.gz YMFAJTDODBWQLR-DYKIIFRCSA-N 0 0 306.877 5.043 10 0 DKAERN COc1ccc(Oc2c(C(C)C)cc(C=O)cc2C(C)C)cc1 ZINC000584592203 337373621 /nfs/dbraw/zinc/37/36/21/337373621.db2.gz IGUGULCVQYAAMZ-UHFFFAOYSA-N 0 0 312.409 5.547 10 0 DKAERN CN(C)c1ccc(-c2ccc3sc4ccccc4c3c2)cc1 ZINC000584592371 337373580 /nfs/dbraw/zinc/37/35/80/337373580.db2.gz BLDDQONAGOGEOD-UHFFFAOYSA-N 0 0 303.430 5.788 10 0 DKAERN CN(C)c1ccc(-c2cccc3sc4ccccc4c32)cc1 ZINC000584592592 337373602 /nfs/dbraw/zinc/37/36/02/337373602.db2.gz OBFNJEXQDATKLD-UHFFFAOYSA-N 0 0 303.430 5.788 10 0 DKAERN CN(C)c1ccc(-c2ccc3c(c2)sc2ccccc23)cc1 ZINC000584592605 337373617 /nfs/dbraw/zinc/37/36/17/337373617.db2.gz OYQICWPNXYYZBI-UHFFFAOYSA-N 0 0 303.430 5.788 10 0 DKAERN CC[C@@H](CCCOc1ccc(C=O)cc1)Cc1ccc(C)c(C)c1 ZINC000584592637 337373575 /nfs/dbraw/zinc/37/35/75/337373575.db2.gz XMIXUMCQLKLXMG-IBGZPJMESA-N 0 0 324.464 5.544 10 0 DKAERN CC[C@H](CCCOc1ccc(C=O)cc1)Cc1ccc(C)c(C)c1 ZINC000584592641 337373540 /nfs/dbraw/zinc/37/35/40/337373540.db2.gz XMIXUMCQLKLXMG-LJQANCHMSA-N 0 0 324.464 5.544 10 0 DKAERN CN(C)c1ccc(-c2cccc3c4ccccc4sc32)cc1 ZINC000584592928 337373577 /nfs/dbraw/zinc/37/35/77/337373577.db2.gz GRNVJIKQCSDSIT-UHFFFAOYSA-N 0 0 303.430 5.788 10 0 DKAERN CCCCC[C@H]1CC[C@H](c2ccc(OCCCC)cc2)CC1 ZINC000584593124 337373638 /nfs/dbraw/zinc/37/36/38/337373638.db2.gz UFZFIGQTSGIKME-WGSAOQKQSA-N 0 0 302.502 6.720 10 0 DKAERN CCOc1cc(Cl)ccc1Oc1c(Cl)cccc1Cl ZINC000584593138 337373654 /nfs/dbraw/zinc/37/36/54/337373654.db2.gz ARLNKVHMVZZFHE-UHFFFAOYSA-N 0 0 317.599 5.838 10 0 DKAERN Brc1ccc(Oc2cccc(OCC3CC3)c2)cc1 ZINC000584593213 337373652 /nfs/dbraw/zinc/37/36/52/337373652.db2.gz SVEJFTZQNRXIDA-UHFFFAOYSA-N 0 0 319.198 5.030 10 0 DKAERN CCOc1c(Cl)cccc1Oc1cc(Cl)cc(Cl)c1 ZINC000584593239 337373644 /nfs/dbraw/zinc/37/36/44/337373644.db2.gz XSZOXUOGPYSUEN-UHFFFAOYSA-N 0 0 317.599 5.838 10 0 DKAERN CCOc1cc(Cl)ccc1Oc1cccc(Cl)c1Cl ZINC000584593241 337373639 /nfs/dbraw/zinc/37/36/39/337373639.db2.gz LEYUGSQJCHNUBH-UHFFFAOYSA-N 0 0 317.599 5.838 10 0 DKAERN COC(c1ccccc1)(c1ccccc1)c1ccccc1Cl ZINC000584593252 337373646 /nfs/dbraw/zinc/37/36/46/337373646.db2.gz YDOLMSWHCAPVKG-UHFFFAOYSA-N 0 0 308.808 5.278 10 0 DKAERN CCOc1cccc(Cl)c1Oc1cc(Cl)cc(Cl)c1 ZINC000584593258 337373649 /nfs/dbraw/zinc/37/36/49/337373649.db2.gz YROFKNNWIOFREF-UHFFFAOYSA-N 0 0 317.599 5.838 10 0 DKAERN Clc1ccc(Br)cc1SCc1ccccc1 ZINC000584593757 337373742 /nfs/dbraw/zinc/37/37/42/337373742.db2.gz OBJWRPGIUFROII-UHFFFAOYSA-N 0 0 313.647 5.395 10 0 DKAERN CCOc1ccc(Cl)cc1Oc1cc(Cl)cc(Cl)c1 ZINC000584593814 337373755 /nfs/dbraw/zinc/37/37/55/337373755.db2.gz QZWSHCIQXCBAJZ-UHFFFAOYSA-N 0 0 317.599 5.838 10 0 DKAERN CCOc1cc(Cl)ccc1Oc1cc(Cl)cc(Cl)c1 ZINC000584593817 337373745 /nfs/dbraw/zinc/37/37/45/337373745.db2.gz RUODZXOLZYGLAH-UHFFFAOYSA-N 0 0 317.599 5.838 10 0 DKAERN CCCCCOc1ccc(OCCCCC)c(Cl)c1F ZINC000584593846 337373718 /nfs/dbraw/zinc/37/37/18/337373718.db2.gz UYTBYHVYWADGSM-UHFFFAOYSA-N 0 0 302.817 5.617 10 0 DKAERN CCCCCCOc1ccc(OCCCCCC)c(F)c1F ZINC000584593878 337373743 /nfs/dbraw/zinc/37/37/43/337373743.db2.gz VZPHELFFUNOJDF-UHFFFAOYSA-N 0 0 314.416 5.883 10 0 DKAERN CCOc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl ZINC000584593888 337373671 /nfs/dbraw/zinc/37/36/71/337373671.db2.gz WGZMPZDPKNZCMB-UHFFFAOYSA-N 0 0 317.599 5.838 10 0 DKAERN CCCCCCOc1ccc(OCCCCC)c(F)c1F ZINC000584593946 337373692 /nfs/dbraw/zinc/37/36/92/337373692.db2.gz ZBTDVUGTOKNZNY-UHFFFAOYSA-N 0 0 300.389 5.493 10 0 DKAERN CCOc1cc(Cl)ccc1Oc1ccc(Cl)c(Cl)c1 ZINC000584593951 337373707 /nfs/dbraw/zinc/37/37/07/337373707.db2.gz ZDOOFAMCVPVNST-UHFFFAOYSA-N 0 0 317.599 5.838 10 0 DKAERN CCCCCCOc1ccc(OCCCC)c(Cl)c1F ZINC000584593963 337373664 /nfs/dbraw/zinc/37/36/64/337373664.db2.gz ZVOZRKTYAKVSHF-UHFFFAOYSA-N 0 0 302.817 5.617 10 0 DKAERN CC(C)c1ccc(C(C)C)c([C@@H](O)C(Cl)(Cl)Cl)c1 ZINC000584595732 337374108 /nfs/dbraw/zinc/37/41/08/337374108.db2.gz IARQJNXFADQBRX-CYBMUJFWSA-N 0 0 309.664 5.337 10 0 DKAERN CC(C)c1ccc(C(C)C)c([C@H](O)C(Cl)(Cl)Cl)c1 ZINC000584595733 337374022 /nfs/dbraw/zinc/37/40/22/337374022.db2.gz IARQJNXFADQBRX-ZDUSSCGKSA-N 0 0 309.664 5.337 10 0 DKAERN Oc1ccc(-c2c3ccc(O)cc3sc2-c2ccccc2)cc1 ZINC000584596785 337374204 /nfs/dbraw/zinc/37/42/04/337374204.db2.gz ZBSPRBGJYUMXDO-UHFFFAOYSA-N 0 0 318.397 5.647 10 0 DKAERN CC(C)(C)OC(=O)c1cccc(-c2ccc(N)c3ccccc32)c1 ZINC000584597307 337374282 /nfs/dbraw/zinc/37/42/82/337374282.db2.gz AHVKRZVKWGGWBU-UHFFFAOYSA-N 0 0 319.404 5.044 10 0 DKAERN Clc1ccccc1-c1ccc2nc(-c3cccnc3)sc2c1 ZINC000584599519 337370699 /nfs/dbraw/zinc/37/06/99/337370699.db2.gz GCSYWTIBDQUPNC-UHFFFAOYSA-N 0 0 322.820 5.679 10 0 DKAERN Fc1ccc(SCSc2ccc(F)cc2F)c(F)c1 ZINC000584599544 337370698 /nfs/dbraw/zinc/37/06/98/337370698.db2.gz ABUUHVNLRGOTIY-UHFFFAOYSA-N 0 0 304.333 5.085 10 0 DKAERN Clc1ccc(-c2ccc3nc(-c4cccnc4)sc3c2)cc1 ZINC000584599571 337370707 /nfs/dbraw/zinc/37/07/07/337370707.db2.gz IBOLXHKEKLVPNK-UHFFFAOYSA-N 0 0 322.820 5.679 10 0 DKAERN Clc1cccc(-c2ccc3nc(-c4cccnc4)sc3c2)c1 ZINC000584599669 337370741 /nfs/dbraw/zinc/37/07/41/337370741.db2.gz NJDGLUFNMGDYPX-UHFFFAOYSA-N 0 0 322.820 5.679 10 0 DKAERN Cc1nc2cc(O[C@H]3CC[C@H](C(C)(C)C)CC3)ccc2s1 ZINC000584599764 337370765 /nfs/dbraw/zinc/37/07/65/337370765.db2.gz YFRWJYFHVXBKLC-HDJSIYSDSA-N 0 0 303.471 5.588 10 0 DKAERN CC(C)(C)OC(=O)Nc1sc2cc(F)ccc2c1Cl ZINC000584600942 337370804 /nfs/dbraw/zinc/37/08/04/337370804.db2.gz WJGDFQWHRXAAHV-UHFFFAOYSA-N 0 0 301.770 5.041 10 0 DKAERN O=C(Nc1ccc(Cl)c(Cl)c1)OC1CCCCCC1 ZINC000584601198 337370812 /nfs/dbraw/zinc/37/08/12/337370812.db2.gz YXSFZNIQEAMSNI-UHFFFAOYSA-N 0 0 302.201 5.265 10 0 DKAERN C/C=C/CCc1ccc2c3ccc(OCC)c(F)c3oc2c1F ZINC000584601764 337370912 /nfs/dbraw/zinc/37/09/12/337370912.db2.gz ATCCAWZFPXXTKQ-HWKANZROSA-N 0 0 316.347 5.772 10 0 DKAERN CCc1ccc2c3ccc(OCCC(C)C)c(F)c3oc2c1F ZINC000584601969 337371022 /nfs/dbraw/zinc/37/10/22/337371022.db2.gz FGIGRBZZSXMGQU-UHFFFAOYSA-N 0 0 318.363 5.852 10 0 DKAERN Clc1ccc2c(c1)C(Br)=Cc1ccccc1O2 ZINC000584602036 337371008 /nfs/dbraw/zinc/37/10/08/337371008.db2.gz NETMCIJTBNLEKP-UHFFFAOYSA-N 0 0 307.574 5.339 10 0 DKAERN Cc1ccc(Cl)c2c1CC[C@H]1[C@@H]3C[C@H](C)C(=O)[C@@]3(C)CC[C@H]21 ZINC000584602321 337371092 /nfs/dbraw/zinc/37/10/92/337371092.db2.gz FPTAKJZTPKWNLZ-PBJBRTRBSA-N 0 0 316.872 5.320 10 0 DKAERN Cc1ccc(Cl)c2c1CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@H]21 ZINC000584602575 337371066 /nfs/dbraw/zinc/37/10/66/337371066.db2.gz QXWWSRUUCVKCEF-MWTROVGWSA-N 0 0 318.888 5.256 10 0 DKAERN Cc1ccc(Cl)c2c1CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@H]21 ZINC000584602611 337370999 /nfs/dbraw/zinc/37/09/99/337370999.db2.gz SHCDEGZXKWYDAJ-QZNHQWIBSA-N 0 0 302.845 5.074 10 0 DKAERN Brc1ccc(-c2ccc3c(c2)oc2ccccc23)cc1 ZINC000584602615 337371004 /nfs/dbraw/zinc/37/10/04/337371004.db2.gz PWADBGSUEZEHGX-UHFFFAOYSA-N 0 0 323.189 6.016 10 0 DKAERN Cc1ccc(Cl)c2c1C[C@@H](C)[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@H]21 ZINC000584602624 337371000 /nfs/dbraw/zinc/37/10/00/337371000.db2.gz VJULZSLGTONCEN-IRYNIMHJSA-N 0 0 316.872 5.320 10 0 DKAERN COc1ccc(-c2cc(-c3ccccc3Cl)ns2)cc1 ZINC000584605725 337371565 /nfs/dbraw/zinc/37/15/65/337371565.db2.gz OQHUGGANHCWECJ-UHFFFAOYSA-N 0 0 301.798 5.139 10 0 DKAERN Fc1cccc(Oc2cccc3c(Cl)cnc(Cl)c23)c1 ZINC000584606145 337371669 /nfs/dbraw/zinc/37/16/69/337371669.db2.gz GXNDTIQWVZQUAM-UHFFFAOYSA-N 0 0 308.139 5.473 10 0 DKAERN Clc1ccc(Oc2cccc3ccnc(Cl)c32)cc1Cl ZINC000584606153 337371655 /nfs/dbraw/zinc/37/16/55/337371655.db2.gz HMSIQLGNWWLQBX-UHFFFAOYSA-N 0 0 324.594 5.987 10 0 DKAERN FC(F)(F)c1ccc(Oc2cccc3ccnc(Cl)c32)cc1 ZINC000584606189 337371694 /nfs/dbraw/zinc/37/16/94/337371694.db2.gz LIVDJSQEQPCTJN-UHFFFAOYSA-N 0 0 323.701 5.699 10 0 DKAERN Fc1ccc(Oc2ccc(Cl)c3ccnc(Cl)c23)cc1 ZINC000584606194 337371677 /nfs/dbraw/zinc/37/16/77/337371677.db2.gz LYCQMUYQYUBIGH-UHFFFAOYSA-N 0 0 308.139 5.473 10 0 DKAERN FC(F)(F)c1cccc(Oc2cccc3ccnc(Cl)c32)c1 ZINC000584606205 337371721 /nfs/dbraw/zinc/37/17/21/337371721.db2.gz NLSGKRUTCDOCQB-UHFFFAOYSA-N 0 0 323.701 5.699 10 0 DKAERN Fc1ccc(Oc2cccc3c(Cl)cnc(Cl)c23)cc1 ZINC000584606496 337371720 /nfs/dbraw/zinc/37/17/20/337371720.db2.gz ZIQKWGDOINCTFS-UHFFFAOYSA-N 0 0 308.139 5.473 10 0 DKAERN CC[C@@H](Cc1ccc(Br)cc1)SC(F)(F)F ZINC000584607384 337371871 /nfs/dbraw/zinc/37/18/71/337371871.db2.gz BFUZOSGOQBWRTJ-JTQLQIEISA-N 0 0 313.182 5.023 10 0 DKAERN CC[C@H](Cc1ccc(Br)cc1)SC(F)(F)F ZINC000584607389 337371842 /nfs/dbraw/zinc/37/18/42/337371842.db2.gz BFUZOSGOQBWRTJ-SNVBAGLBSA-N 0 0 313.182 5.023 10 0 DKAERN O=C(c1cccs1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000584608835 337372037 /nfs/dbraw/zinc/37/20/37/337372037.db2.gz TZPRNGWQNGMTRZ-UHFFFAOYSA-N 0 0 324.245 5.017 10 0 DKAERN CC(C)[Si](/C=C/I)(C(C)C)C(C)C ZINC000584609287 337372113 /nfs/dbraw/zinc/37/21/13/337372113.db2.gz FPNNSFWUTHYVEV-BQYQJAHWSA-N 0 0 310.295 5.153 10 0 DKAERN F/C(Br)=C\c1ccc(/C=C(\F)Br)cc1 ZINC000584610349 337372075 /nfs/dbraw/zinc/37/20/75/337372075.db2.gz BYEKBPLGGQJFFL-OZDSWYPASA-N 0 0 323.962 5.012 10 0 DKAERN F/C(Br)=C\c1cccc(/C=C(\F)Br)c1 ZINC000584610382 337372088 /nfs/dbraw/zinc/37/20/88/337372088.db2.gz JVOVAYWLIFOJNQ-OZDSWYPASA-N 0 0 323.962 5.012 10 0 DKAERN F/C(Br)=C/c1ccc(/C=C(/F)Br)cc1 ZINC000584611448 337372171 /nfs/dbraw/zinc/37/21/71/337372171.db2.gz BYEKBPLGGQJFFL-NXZHAISVSA-N 0 0 323.962 5.012 10 0 DKAERN F/C(Br)=C\c1ccc(/C=C(/F)Br)cc1 ZINC000584611449 337372238 /nfs/dbraw/zinc/37/22/38/337372238.db2.gz BYEKBPLGGQJFFL-VTBWALSUSA-N 0 0 323.962 5.012 10 0 DKAERN Oc1cc(-c2ccccc2)cc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000584611460 337372154 /nfs/dbraw/zinc/37/21/54/337372154.db2.gz CSKHMJSNRNJTQW-UHFFFAOYSA-N 0 0 315.199 6.033 10 0 DKAERN F/C(Br)=C/c1cccc(/C=C(/F)Br)c1 ZINC000584611565 337372135 /nfs/dbraw/zinc/37/21/35/337372135.db2.gz JVOVAYWLIFOJNQ-NXZHAISVSA-N 0 0 323.962 5.012 10 0 DKAERN F/C(Br)=C\c1cccc(/C=C(/F)Br)c1 ZINC000584611567 337372179 /nfs/dbraw/zinc/37/21/79/337372179.db2.gz JVOVAYWLIFOJNQ-VTBWALSUSA-N 0 0 323.962 5.012 10 0 DKAERN Cc1cc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)c1 ZINC000584613653 337372567 /nfs/dbraw/zinc/37/25/67/337372567.db2.gz BRAMFMLQGLLGOK-UHFFFAOYSA-N 0 0 313.227 6.636 10 0 DKAERN CCC/C=C/[C@H]1CC[C@H]([C@H]2CC[C@H](CCCCC)CC2)CC1 ZINC000584613665 337372515 /nfs/dbraw/zinc/37/25/15/337372515.db2.gz BNPHUZUJFWEZQI-MJWOGOKUSA-N 0 0 304.562 7.536 10 0 DKAERN ClC(Cl)=CC(C=C(Cl)Cl)c1ccc(Cl)cc1 ZINC000584613677 337372494 /nfs/dbraw/zinc/37/24/94/337372494.db2.gz CMYFBGNBCCAXTF-UHFFFAOYSA-N 0 0 316.442 6.062 10 0 DKAERN C/C=C/CC[C@H]1CC[C@H]([C@H]2CC[C@H](CCCCC)CC2)CC1 ZINC000584613929 337372582 /nfs/dbraw/zinc/37/25/82/337372582.db2.gz HLSXDVCTCSGJKR-DQWFDLOISA-N 0 0 304.562 7.536 10 0 DKAERN CCCC/C=C/[C@H]1CC[C@H]([C@H]2CC[C@H](CCCCC)CC2)CC1 ZINC000584614198 337372643 /nfs/dbraw/zinc/37/26/43/337372643.db2.gz PKALEGZAVRPSBL-YELZJZJSSA-N 0 0 318.589 7.926 10 0 DKAERN CCCCOc1ccc(-c2ccccc2)cc1Br ZINC000584614224 337372639 /nfs/dbraw/zinc/37/26/39/337372639.db2.gz RRNSCUHTZFCNAC-UHFFFAOYSA-N 0 0 305.215 5.295 10 0 DKAERN CCCC/C=C/[C@H]1CC[C@H]([C@H]2CC[C@H](CCCC)CC2)CC1 ZINC000584614285 337372659 /nfs/dbraw/zinc/37/26/59/337372659.db2.gz YJEWRFOCLUGKNG-NGMVMQPXSA-N 0 0 304.562 7.536 10 0 DKAERN CCCc1cc(Br)c(Br)cc1CCC ZINC000584614411 337372665 /nfs/dbraw/zinc/37/26/65/337372665.db2.gz ISSRRBKFACJSQU-UHFFFAOYSA-N 0 0 320.068 5.117 10 0 DKAERN Cc1ccc2c(c1)-c1ccccc1-c1nc3c(n1-2)C1CCC3CC1 ZINC000584615663 337372801 /nfs/dbraw/zinc/37/28/01/337372801.db2.gz BOJIJZRDPCHQCH-UHFFFAOYSA-N 0 0 312.416 5.583 10 0 DKAERN CCCCC/C=C\C/C=C\CCCCCCCC[C@@H](O)CCO ZINC000584617882 337373071 /nfs/dbraw/zinc/37/30/71/337373071.db2.gz XUEKXELEJNZUKE-DSADLTMXSA-N 0 0 324.549 5.933 10 0 DKAERN CCCCC/C=C\C/C=C\CCCCCCCC[C@H](O)CCO ZINC000584617883 337373074 /nfs/dbraw/zinc/37/30/74/337373074.db2.gz XUEKXELEJNZUKE-LUDJYUCKSA-N 0 0 324.549 5.933 10 0 DKAERN O=C1C[C@H](c2ccc(Cl)cc2)c2ccc(C(F)(F)F)cc21 ZINC000584618252 337373174 /nfs/dbraw/zinc/37/31/74/337373174.db2.gz QFQAHEXKRPFGFD-CYBMUJFWSA-N 0 0 310.702 5.077 10 0 DKAERN O=C1C[C@@H](c2ccc(Cl)cc2)c2ccc(C(F)(F)F)cc21 ZINC000584618254 337373223 /nfs/dbraw/zinc/37/32/23/337373223.db2.gz QFQAHEXKRPFGFD-ZDUSSCGKSA-N 0 0 310.702 5.077 10 0 DKAERN O=C1C[C@H](c2ccc(Cl)c(C(F)(F)F)c2)c2ccccc21 ZINC000584618332 337373222 /nfs/dbraw/zinc/37/32/22/337373222.db2.gz VQPDMLLBPGUEKH-GFCCVEGCSA-N 0 0 310.702 5.077 10 0 DKAERN O=C1C[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)c2ccccc21 ZINC000584618333 337373207 /nfs/dbraw/zinc/37/32/07/337373207.db2.gz VQPDMLLBPGUEKH-LBPRGKRZSA-N 0 0 310.702 5.077 10 0 DKAERN Clc1ccccc1Cc1cc2ccc(Br)cc2[nH]1 ZINC000584618485 337373181 /nfs/dbraw/zinc/37/31/81/337373181.db2.gz SNQMZPNACQQVMD-UHFFFAOYSA-N 0 0 320.617 5.175 10 0 DKAERN Cn1c2cc3c(cc2nc1-c1ccccc1)C(C)(C)CCC3(C)C ZINC000584619111 337373347 /nfs/dbraw/zinc/37/33/47/337373347.db2.gz GXCYROIIEUHCLI-UHFFFAOYSA-N 0 0 318.464 5.589 10 0 DKAERN Clc1ccc(Oc2c[nH]nc2-c2ccccc2Cl)cc1 ZINC000584619113 337373267 /nfs/dbraw/zinc/37/32/67/337373267.db2.gz DECVRRSPXIOCLC-UHFFFAOYSA-N 0 0 305.164 5.176 10 0 DKAERN Clc1ccc(Oc2c[nH]nc2-c2ccc(Cl)cc2)cc1 ZINC000584619167 337373307 /nfs/dbraw/zinc/37/33/07/337373307.db2.gz FWSBHRQHRRFNAL-UHFFFAOYSA-N 0 0 305.164 5.176 10 0 DKAERN Fc1c(Cl)cccc1-c1n[nH]cc1Oc1ccc(Cl)cc1 ZINC000584619264 337373428 /nfs/dbraw/zinc/37/34/28/337373428.db2.gz REHHWINGGVKDIY-UHFFFAOYSA-N 0 0 323.154 5.315 10 0 DKAERN Fc1cc(Cl)ccc1Oc1c[nH]nc1-c1ccccc1Cl ZINC000584619299 337373469 /nfs/dbraw/zinc/37/34/69/337373469.db2.gz LABRFTRTHGRNOF-UHFFFAOYSA-N 0 0 323.154 5.315 10 0 DKAERN Fc1cccc(-c2n[nH]cc2Oc2ccc(Cl)cc2)c1Cl ZINC000584619318 337373463 /nfs/dbraw/zinc/37/34/63/337373463.db2.gz VNPXCOFHUAFQIQ-UHFFFAOYSA-N 0 0 323.154 5.315 10 0 DKAERN CC(C)[Si](C(C)C)(n1cc(Br)cn1)C(C)(C)C ZINC000584619365 337373515 /nfs/dbraw/zinc/37/35/15/337373515.db2.gz MLXVQRZOUUCGBM-UHFFFAOYSA-N 0 0 317.347 5.059 10 0 DKAERN O=Cc1ccc(OCCCCCc2ccccc2)c2ccccc12 ZINC000584620415 337372986 /nfs/dbraw/zinc/37/29/86/337372986.db2.gz COUISQZGSXVTAD-UHFFFAOYSA-N 0 0 318.416 5.444 10 0 DKAERN CCC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(C)cc(C)cc12 ZINC000584621214 337374819 /nfs/dbraw/zinc/37/48/19/337374819.db2.gz SYLXEIFVZFOGLE-UHFFFAOYSA-N 0 0 323.823 5.765 10 0 DKAERN Brc1cccc(Sc2nc3ccccc3s2)c1 ZINC000584621501 337374921 /nfs/dbraw/zinc/37/49/21/337374921.db2.gz QBTPAECMZXYQNI-UHFFFAOYSA-N 0 0 322.252 5.210 10 0 DKAERN COc1ccc(-c2c(Cl)c(Cl)nc(Cl)c2Cl)cc1 ZINC000584623798 337375218 /nfs/dbraw/zinc/37/52/18/337375218.db2.gz UVAMFCPDUZHHML-UHFFFAOYSA-N 0 0 323.006 5.371 10 0 DKAERN FC(F)(F)c1ccc(Oc2nccc3ccnc(Cl)c32)cc1 ZINC000584624215 337375320 /nfs/dbraw/zinc/37/53/20/337375320.db2.gz IBEBIQFDANVGQK-UHFFFAOYSA-N 0 0 324.689 5.094 10 0 DKAERN FC(F)(F)c1cccc(Oc2nccc3ccnc(Cl)c32)c1 ZINC000584624229 337375329 /nfs/dbraw/zinc/37/53/29/337375329.db2.gz KDFQMLXRJVDAER-UHFFFAOYSA-N 0 0 324.689 5.094 10 0 DKAERN Cc1csc2c1sc1c(C)c(Br)sc21 ZINC000584624737 337375328 /nfs/dbraw/zinc/37/53/28/337375328.db2.gz MLHANXVAOUJNEB-UHFFFAOYSA-N 0 0 303.271 5.557 10 0 DKAERN Fc1ccc2c(c1)N=C(c1ccc(C(F)(F)F)cc1)CS2 ZINC000584626291 337376104 /nfs/dbraw/zinc/37/61/04/337376104.db2.gz IDBSJSOLGMERLG-UHFFFAOYSA-N 0 0 311.303 5.071 10 0 DKAERN CCC[C@H](C)c1sc(Br)cc1Br ZINC000584630643 337376656 /nfs/dbraw/zinc/37/66/56/337376656.db2.gz PUKKGEHYYFJIMP-LURJTMIESA-N 0 0 312.070 5.177 10 0 DKAERN CCC[C@@H](C)c1sc(Br)cc1Br ZINC000584630645 337376679 /nfs/dbraw/zinc/37/66/79/337376679.db2.gz PUKKGEHYYFJIMP-ZCFIWIBFSA-N 0 0 312.070 5.177 10 0 DKAERN Brc1cc(Br)c(C2CCCCC2)s1 ZINC000584630673 337376875 /nfs/dbraw/zinc/37/68/75/337376875.db2.gz UDKPAANYFLMOEU-UHFFFAOYSA-N 0 0 324.081 5.321 10 0 DKAERN FC(F)(F)c1c(Cl)c(C2CC2)nc2ccc(Cl)cc21 ZINC000584631085 337376922 /nfs/dbraw/zinc/37/69/22/337376922.db2.gz AHURFDBRXAZEFK-UHFFFAOYSA-N 0 0 306.114 5.438 10 0 DKAERN CCCOc1ccc2c3ccc([C@H](O)CC)c(F)c3oc2c1F ZINC000584632044 337376919 /nfs/dbraw/zinc/37/69/19/337376919.db2.gz GAFGCFLBOWVJIZ-CYBMUJFWSA-N 0 0 320.335 5.096 10 0 DKAERN CCCOc1ccc2c3ccc([C@@H](O)CC)c(F)c3oc2c1F ZINC000584632046 337376949 /nfs/dbraw/zinc/37/69/49/337376949.db2.gz GAFGCFLBOWVJIZ-ZDUSSCGKSA-N 0 0 320.335 5.096 10 0 DKAERN CCC[C@@H](O)c1ccc2c3ccc(OCC)c(F)c3oc2c1F ZINC000584632119 337377241 /nfs/dbraw/zinc/37/72/41/337377241.db2.gz HWHKMGONQQREDY-CYBMUJFWSA-N 0 0 320.335 5.096 10 0 DKAERN CCC[C@H](O)c1ccc2c3ccc(OCC)c(F)c3oc2c1F ZINC000584632121 337377185 /nfs/dbraw/zinc/37/71/85/337377185.db2.gz HWHKMGONQQREDY-ZDUSSCGKSA-N 0 0 320.335 5.096 10 0 DKAERN CCCC[C@@H](O)c1ccc2c3ccc(OC)c(F)c3oc2c1F ZINC000584632132 337377145 /nfs/dbraw/zinc/37/71/45/337377145.db2.gz IMQVJAQVRCTWNO-CYBMUJFWSA-N 0 0 320.335 5.096 10 0 DKAERN CCCC[C@H](O)c1ccc2c3ccc(OC)c(F)c3oc2c1F ZINC000584632135 337377228 /nfs/dbraw/zinc/37/72/28/337377228.db2.gz IMQVJAQVRCTWNO-ZDUSSCGKSA-N 0 0 320.335 5.096 10 0 DKAERN CCCCOc1ccc2c3ccc([C@H](C)O)c(F)c3oc2c1F ZINC000584632429 337377251 /nfs/dbraw/zinc/37/72/51/337377251.db2.gz PWAGOXKLBBALTB-JTQLQIEISA-N 0 0 320.335 5.096 10 0 DKAERN CCCCOc1ccc2c3ccc([C@@H](C)O)c(F)c3oc2c1F ZINC000584632430 337377162 /nfs/dbraw/zinc/37/71/62/337377162.db2.gz PWAGOXKLBBALTB-SNVBAGLBSA-N 0 0 320.335 5.096 10 0 DKAERN O=Cc1ccc(OCCCCCc2ccccc2)c2occc21 ZINC000584635493 337375237 /nfs/dbraw/zinc/37/52/37/337375237.db2.gz MSKORCYJIREFMJ-UHFFFAOYSA-N 0 0 308.377 5.037 10 0 DKAERN Fc1ccc(-c2ccc(Br)c(C(F)(F)F)c2)cc1 ZINC000584635561 337375244 /nfs/dbraw/zinc/37/52/44/337375244.db2.gz GYLIYRRKAMMMDZ-UHFFFAOYSA-N 0 0 319.095 5.274 10 0 DKAERN O=c1cc(C23CC4CC(CC(C4)C2)C3)[nH]c2ccc(Cl)cc12 ZINC000584637216 337379434 /nfs/dbraw/zinc/37/94/34/337379434.db2.gz DBTGOCWAPGLCRD-UHFFFAOYSA-N 0 0 313.828 5.062 10 0 DKAERN Clc1ccc2sc(-c3ccc(Br)cc3)nc2c1 ZINC000584638195 337379586 /nfs/dbraw/zinc/37/95/86/337379586.db2.gz AJRYLOSSBJHMDH-UHFFFAOYSA-N 0 0 324.630 5.379 10 0 DKAERN Clc1ccc2sc(Sc3cccc(Cl)c3)nc2c1 ZINC000584638203 337379603 /nfs/dbraw/zinc/37/96/03/337379603.db2.gz ASSPMQXPQWGTGJ-UHFFFAOYSA-N 0 0 312.246 5.754 10 0 DKAERN Clc1ccc2sc(Sc3ccccc3Cl)nc2c1 ZINC000584638296 337379514 /nfs/dbraw/zinc/37/95/14/337379514.db2.gz JPZGZGDDMGREHS-UHFFFAOYSA-N 0 0 312.246 5.754 10 0 DKAERN FC(F)(C[C@H]1c2ccccc2-c2cncn21)C1CCCCC1 ZINC000584638622 337379707 /nfs/dbraw/zinc/37/97/07/337379707.db2.gz DFLNKWBSNIFFKH-INIZCTEOSA-N 0 0 302.368 5.059 10 0 DKAERN FC(F)(C[C@@H]1c2ccccc2-c2cncn21)C1CCCCC1 ZINC000584638624 337379626 /nfs/dbraw/zinc/37/96/26/337379626.db2.gz DFLNKWBSNIFFKH-MRXNPFEDSA-N 0 0 302.368 5.059 10 0 DKAERN Clc1ccc(CN2c3ccccc3CNc3ccccc32)cc1 ZINC000584638858 337379620 /nfs/dbraw/zinc/37/96/20/337379620.db2.gz LUJAGMFATCONKW-UHFFFAOYSA-N 0 0 320.823 5.604 10 0 DKAERN Brc1ccc2nc(Sc3ccccc3)sc2c1 ZINC000584639941 337379808 /nfs/dbraw/zinc/37/98/08/337379808.db2.gz MNMRGDFOPFOXFQ-UHFFFAOYSA-N 0 0 322.252 5.210 10 0 DKAERN O=Cc1ccc(OCCCCCc2ccccc2)c2ccoc21 ZINC000584640201 337379964 /nfs/dbraw/zinc/37/99/64/337379964.db2.gz QXQGIVUTQJJZBF-UHFFFAOYSA-N 0 0 308.377 5.037 10 0 DKAERN Brc1ccc2c(c1)Cc1c3sccc3sc1-2 ZINC000584640323 337379979 /nfs/dbraw/zinc/37/99/79/337379979.db2.gz YSLFQVDDHSCYIE-UHFFFAOYSA-N 0 0 307.237 5.297 10 0 DKAERN Cc1cc(-c2ccc(Cl)cc2)nc2c(CO)cc(Cl)cc12 ZINC000584640588 337379901 /nfs/dbraw/zinc/37/99/01/337379901.db2.gz FXUFEUVJGWBGCN-UHFFFAOYSA-N 0 0 318.203 5.009 10 0 DKAERN Cc1cc(-c2ccc(Cl)cc2)nc2c(C=O)ccc(Cl)c12 ZINC000584640589 337380008 /nfs/dbraw/zinc/38/00/08/337380008.db2.gz FYEFONBRQIQRLF-UHFFFAOYSA-N 0 0 316.187 5.330 10 0 DKAERN O=Cc1cc(Cl)cc2ccc(-c3ccc(Cl)cc3)nc12 ZINC000584640640 337379984 /nfs/dbraw/zinc/37/99/84/337379984.db2.gz LBILPLTZSVRKMY-UHFFFAOYSA-N 0 0 302.160 5.021 10 0 DKAERN Cc1cc(-c2ccc(Cl)cc2)nc2c(C=O)cc(Cl)cc12 ZINC000584640773 337379992 /nfs/dbraw/zinc/37/99/92/337379992.db2.gz VQZUQNIVZQZVLO-UHFFFAOYSA-N 0 0 316.187 5.330 10 0 DKAERN c1ccc(-n2c3ccccc3c3c2cccc3-c2ncccn2)cc1 ZINC000584641074 337379975 /nfs/dbraw/zinc/37/99/75/337379975.db2.gz OGBSYUZNOPNBND-UHFFFAOYSA-N 0 0 321.383 5.241 10 0 DKAERN CC(C)(C)OC(=O)Nc1cn(Cc2ccccc2)c2ccccc12 ZINC000584641422 337380066 /nfs/dbraw/zinc/38/00/66/337380066.db2.gz QSWWPJRSJQGLIK-UHFFFAOYSA-N 0 0 322.408 5.037 10 0 DKAERN COc1ccc2c(C)c(C(F)(F)F)ccc2c1C(F)(F)F ZINC000584641754 337380036 /nfs/dbraw/zinc/38/00/36/337380036.db2.gz SHELKRSRHCWCDT-UHFFFAOYSA-N 0 0 308.221 5.194 10 0 DKAERN CCO/C=C/c1nc(C)nc2sc(C3CCCCC3)cc21 ZINC000584648310 337380441 /nfs/dbraw/zinc/38/04/41/337380441.db2.gz ZFKACLIQVGEHTK-MDZDMXLPSA-N 0 0 302.443 5.055 10 0 DKAERN Clc1ccccc1-c1cnc2nc(-c3cccnc3)sc2c1 ZINC000584648427 337380380 /nfs/dbraw/zinc/38/03/80/337380380.db2.gz JNOAAEVRCCJGHY-UHFFFAOYSA-N 0 0 323.808 5.074 10 0 DKAERN FC(F)(F)c1cc(-c2coc(Cl)n2)cc(C(F)(F)F)c1 ZINC000584648562 337380374 /nfs/dbraw/zinc/38/03/74/337380374.db2.gz OCRSFIWXYISYIR-UHFFFAOYSA-N 0 0 315.600 5.033 10 0 DKAERN Clc1cccc(-c2cnc3nc(-c4cccnc4)sc3c2)c1 ZINC000584648652 337380339 /nfs/dbraw/zinc/38/03/39/337380339.db2.gz QATKPXHJZSWTOP-UHFFFAOYSA-N 0 0 323.808 5.074 10 0 DKAERN Clc1ccc(-c2cnc3nc(-c4cccnc4)sc3c2)cc1 ZINC000584648675 337380451 /nfs/dbraw/zinc/38/04/51/337380451.db2.gz QLSBATSZNKMCHP-UHFFFAOYSA-N 0 0 323.808 5.074 10 0 DKAERN Clc1ccc2nc(-c3cccs3)nc(-c3ccccc3)c2c1 ZINC000584650007 337380672 /nfs/dbraw/zinc/38/06/72/337380672.db2.gz QCWGGSRSSNKWRB-UHFFFAOYSA-N 0 0 322.820 5.679 10 0 DKAERN Cc1c(Cl)cc2ccc(-c3cccc(Cl)c3)nc2c1Cl ZINC000584650119 337380643 /nfs/dbraw/zinc/38/06/43/337380643.db2.gz DXRXFNBCJHVKGY-UHFFFAOYSA-N 0 0 322.622 6.170 10 0 DKAERN Cc1ccc(-c2ccc3cc(Br)cc(C)c3n2)cc1 ZINC000584650414 337380820 /nfs/dbraw/zinc/38/08/20/337380820.db2.gz IGGSYSSBVSDXSD-UHFFFAOYSA-N 0 0 312.210 5.281 10 0 DKAERN O=C(Nc1ccccc1)Nc1ccccc1Nc1ccccc1 ZINC000584650448 337380787 /nfs/dbraw/zinc/38/07/87/337380787.db2.gz MIZSIIFJVQDSQK-UHFFFAOYSA-N 0 0 303.365 5.074 10 0 DKAERN O=C1CCC2(CC1)c1ccccc1C=Cc1ccc(Cl)cc12 ZINC000584650778 337380931 /nfs/dbraw/zinc/38/09/31/337380931.db2.gz OXYYRPIMEGAFST-UHFFFAOYSA-N 0 0 308.808 5.253 10 0 DKAERN C[C@H]1CC(c2ccc(Cl)cc2)=Cc2c(Cl)cc(Cl)cc21 ZINC000584651006 337380926 /nfs/dbraw/zinc/38/09/26/337380926.db2.gz PFZJDPJUFJYXCC-JTQLQIEISA-N 0 0 323.650 6.695 10 0 DKAERN C[C@@H]1CC(c2ccc(Cl)cc2)=Cc2c(Cl)cc(Cl)cc21 ZINC000584651013 337380866 /nfs/dbraw/zinc/38/08/66/337380866.db2.gz PFZJDPJUFJYXCC-SNVBAGLBSA-N 0 0 323.650 6.695 10 0 DKAERN Cc1cc(Oc2ccc(Cl)cc2)cc2cc(Cl)ccc12 ZINC000584651101 337380938 /nfs/dbraw/zinc/38/09/38/337380938.db2.gz IQFUQVIOUPSERZ-UHFFFAOYSA-N 0 0 303.188 6.247 10 0 DKAERN Cc1ccc(-c2ccc(Cl)cc2)c2cc(Cl)c(Cl)cc12 ZINC000584651130 337380883 /nfs/dbraw/zinc/38/08/83/337380883.db2.gz PEDMAZHUCNGFSS-UHFFFAOYSA-N 0 0 321.634 6.775 10 0 DKAERN Clc1ccc2nc(Cl)c(Sc3ccccc3)nc2c1 ZINC000584651541 337381023 /nfs/dbraw/zinc/38/10/23/337381023.db2.gz PKEZMKLGCORZJF-UHFFFAOYSA-N 0 0 307.205 5.088 10 0 DKAERN Oc1ccc(Cl)cc1C(=CCl)c1cc(Cl)ccc1O ZINC000584651661 337381005 /nfs/dbraw/zinc/38/10/05/337381005.db2.gz KELBVDHHMMJGKC-UHFFFAOYSA-N 0 0 315.583 5.033 10 0 DKAERN CCCCc1ccc(O)c(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000584652082 337381052 /nfs/dbraw/zinc/38/10/52/337381052.db2.gz GDNMZLIBQHLXHQ-UHFFFAOYSA-N 0 0 309.236 5.632 10 0 DKAERN CCCCCCN(C(=S)Nc1ccccc1)C1CCCCC1 ZINC000584652175 337381043 /nfs/dbraw/zinc/38/10/43/337381043.db2.gz MROLAWFHKLORQD-UHFFFAOYSA-N 0 0 318.530 5.598 10 0 DKAERN Oc1c(Cl)cc(Cl)cc1Cc1ccc(Cl)c(Cl)c1 ZINC000584652325 337381136 /nfs/dbraw/zinc/38/11/36/337381136.db2.gz FTEJWRDXRANCGP-UHFFFAOYSA-N 0 0 322.018 5.597 10 0 DKAERN Cc1ccc(-c2ccc(-c3ccc(C)s3)c3ccccc23)s1 ZINC000584652344 337381186 /nfs/dbraw/zinc/38/11/86/337381186.db2.gz APWCRTBPUMRINU-UHFFFAOYSA-N 0 0 320.482 6.914 10 0 DKAERN Cc1noc(C)c1-c1ccc(-c2c(C)noc2C)c2ccccc12 ZINC000584652646 337381079 /nfs/dbraw/zinc/38/10/79/337381079.db2.gz HBJCUEGDSGPDKK-UHFFFAOYSA-N 0 0 318.376 5.383 10 0 DKAERN CCc1c(Cl)ccc(Sc2ccc(Cl)cc2)c1CC ZINC000584652792 337381164 /nfs/dbraw/zinc/38/11/64/337381164.db2.gz YQEMXFAPTSWYKZ-UHFFFAOYSA-N 0 0 311.277 6.269 10 0 DKAERN CC(C)(C)c1cc(Nc2ccc(F)cc2F)cc(C(C)(C)C)c1 ZINC000584652929 337381074 /nfs/dbraw/zinc/38/10/74/337381074.db2.gz WFXYPZYHMFGQCY-UHFFFAOYSA-N 0 0 317.423 6.303 10 0 DKAERN Fc1ccc(-c2ccc3ccccc3c2-c2ccc(F)cc2)cc1 ZINC000584652933 337381121 /nfs/dbraw/zinc/38/11/21/337381121.db2.gz WLLFPAYAGLLBGV-UHFFFAOYSA-N 0 0 316.350 6.452 10 0 DKAERN COc1ccccc1-c1c2ccccc2ccc1-c1ccccc1 ZINC000584652964 337381166 /nfs/dbraw/zinc/38/11/66/337381166.db2.gz ZMXYCXIFUSHHFO-UHFFFAOYSA-N 0 0 310.396 6.182 10 0 DKAERN c1ccc2sc(-n3c4ccccc4c4ccccc43)nc2c1 ZINC000584653057 337381122 /nfs/dbraw/zinc/38/11/22/337381122.db2.gz GVIVEXDUHIYIMA-UHFFFAOYSA-N 0 0 300.386 5.393 10 0 DKAERN CC(C)(C)OC(=O)Nc1ccccc1-c1ccc2ccccc2n1 ZINC000584653187 337381183 /nfs/dbraw/zinc/38/11/83/337381183.db2.gz TVXCFQAKSPDVJD-UHFFFAOYSA-N 0 0 320.392 5.249 10 0 DKAERN O=Cc1ccc(-c2ccc(Br)c3ccccc32)cc1 ZINC000584653217 337381200 /nfs/dbraw/zinc/38/12/00/337381200.db2.gz WLOXPJUPZXBBLJ-UHFFFAOYSA-N 0 0 311.178 5.082 10 0 DKAERN CCc1cccc(-c2cc3c(cc2C(C)=O)NCCC3(C)C)c1 ZINC000584654437 337377781 /nfs/dbraw/zinc/37/77/81/337377781.db2.gz ZELORIOWDAYEHI-UHFFFAOYSA-N 0 0 307.437 5.212 10 0 DKAERN c1ccc(C2(c3cccnc3)c3ccccc3-c3ccccc32)cc1 ZINC000584654634 337377797 /nfs/dbraw/zinc/37/77/97/337377797.db2.gz YCMAVQWCJKQGAG-UHFFFAOYSA-N 0 0 319.407 5.445 10 0 DKAERN c1ccc(C2(C[C@H]3CS3)c3ccccc3-c3ccccc32)cc1 ZINC000584654647 337377843 /nfs/dbraw/zinc/37/78/43/337377843.db2.gz LGCLTJKIPKSCJR-KRWDZBQOSA-N 0 0 314.453 5.507 10 0 DKAERN c1ccc(C2(C[C@@H]3CS3)c3ccccc3-c3ccccc32)cc1 ZINC000584654648 337377813 /nfs/dbraw/zinc/37/78/13/337377813.db2.gz LGCLTJKIPKSCJR-QGZVFWFLSA-N 0 0 314.453 5.507 10 0 DKAERN c1cc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cs1 ZINC000584654664 337377881 /nfs/dbraw/zinc/37/78/81/337377881.db2.gz OFBINFRWYDJSSU-UHFFFAOYSA-N 0 0 324.448 6.111 10 0 DKAERN c1csc(C2(c3ccccc3)c3ccccc3-c3ccccc32)c1 ZINC000584654724 337377810 /nfs/dbraw/zinc/37/78/10/337377810.db2.gz XJHMQBKTQHQGKC-UHFFFAOYSA-N 0 0 324.448 6.111 10 0 DKAERN Cc1ccccc1-c1cnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000584655256 337377876 /nfs/dbraw/zinc/37/78/76/337377876.db2.gz CYIDNDYOLDOYRL-UHFFFAOYSA-N 0 0 322.411 5.786 10 0 DKAERN CCCCCc1cnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000584655390 337377848 /nfs/dbraw/zinc/37/78/48/337377848.db2.gz OTHHZFXNZIKRAV-UHFFFAOYSA-N 0 0 302.421 5.543 10 0 DKAERN Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nn2C(C)C)cc1 ZINC000584656689 337378078 /nfs/dbraw/zinc/37/80/78/337378078.db2.gz IHVSUVVAUDXEQN-UHFFFAOYSA-N 0 0 310.828 5.760 10 0 DKAERN Fc1ccc(C=C2C(Cl)=C(Cl)C(Cl)=C2Cl)cc1 ZINC000584656870 337378058 /nfs/dbraw/zinc/37/80/58/337378058.db2.gz FDEQXJLSBKNHJF-UHFFFAOYSA-N 0 0 309.982 5.601 10 0 DKAERN CC1(CC(=O)CC2(C)CCCCCCC2)CCCCCCC1 ZINC000584657013 337378158 /nfs/dbraw/zinc/37/81/58/337378158.db2.gz SBUUKRHXTZPHEA-UHFFFAOYSA-N 0 0 306.534 6.837 10 0 DKAERN FC(F)(Cl)c1sc(C(F)(F)Cl)c(Cl)c1Cl ZINC000584657281 337378080 /nfs/dbraw/zinc/37/80/80/337378080.db2.gz OTJCEGRDEUTSTJ-UHFFFAOYSA-N 0 0 321.937 5.631 10 0 DKAERN CCC(C(=O)CCCCc1ccc(O)cc1)c1ccc(O)cc1 ZINC000584660927 337378228 /nfs/dbraw/zinc/37/82/28/337378228.db2.gz HMRDQPYJMUXXLC-FMQUCBEESA-N 0 0 312.409 5.190 10 0 DKAERN CCC(C(=O)CCCCc1ccc(O)cc1)c1ccc(O)cc1 ZINC000584660933 337378223 /nfs/dbraw/zinc/37/82/23/337378223.db2.gz HMRDQPYJMUXXLC-VXPUYCOJSA-N 0 0 312.409 5.190 10 0 DKAERN COc1ccc(-c2ncc(-c3ccc(C(C)(C)C)cc3)cn2)cc1 ZINC000584661184 337378337 /nfs/dbraw/zinc/37/83/37/337378337.db2.gz MXEAEWOSDHGWDK-UHFFFAOYSA-N 0 0 318.420 5.117 10 0 DKAERN CCOC(=O)c1c2cc3c(cc2oc1-c1ccccc1)CCCC3 ZINC000584661877 337378465 /nfs/dbraw/zinc/37/84/65/337378465.db2.gz SQHPUWUTOCCKET-UHFFFAOYSA-N 0 0 320.388 5.155 10 0 DKAERN Cc1ccc(/C=C/c2cccnc2/C=C/c2ccc(C)cc2)cc1 ZINC000584662034 337378426 /nfs/dbraw/zinc/37/84/26/337378426.db2.gz NINKQPKWVUHHQK-WXUKJITCSA-N 0 0 311.428 6.039 10 0 DKAERN C[C@@H]1CC[C@H](C(C)(C)c2ccc(Oc3ccccc3)cc2)C(=O)C1 ZINC000584662345 337378408 /nfs/dbraw/zinc/37/84/08/337378408.db2.gz ZUXGYIBVCSMFOY-UZLBHIALSA-N 0 0 322.448 5.762 10 0 DKAERN Brc1ccc(-c2cccc(CC3CCC3)c2)cc1 ZINC000584880910 563860114 /nfs/dbraw/zinc/86/01/14/563860114.db2.gz SIMCZUALKWNFCQ-UHFFFAOYSA-N 0 0 301.227 5.459 10 0 DKAERN FC(F)(Br)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000584881765 563860198 /nfs/dbraw/zinc/86/01/98/563860198.db2.gz QFBVGIZOQFZDRK-UHFFFAOYSA-N 0 0 317.560 5.451 10 0 DKAERN Nc1c(F)ccc(-c2cc(Cl)c(Cl)c(Cl)c2)c1F ZINC000675059055 563910300 /nfs/dbraw/zinc/91/03/00/563910300.db2.gz ISUJIDWDQSCZGE-UHFFFAOYSA-N 0 0 308.542 5.174 10 0 DKAERN Nc1c(F)ccc(-c2cc(Cl)c(Cl)cc2Cl)c1F ZINC000675059885 563910407 /nfs/dbraw/zinc/91/04/07/563910407.db2.gz XDUGEVINJFBRCX-UHFFFAOYSA-N 0 0 308.542 5.174 10 0 DKAERN Nc1c(F)ccc(-c2c(Cl)cc(Cl)cc2Cl)c1F ZINC000675059951 563910440 /nfs/dbraw/zinc/91/04/40/563910440.db2.gz YVDORDNHISTKOW-UHFFFAOYSA-N 0 0 308.542 5.174 10 0 DKAERN Cc1cc(-c2cc(Cl)c(Cl)cc2Cl)c(C)cc1C=O ZINC000675072202 563910777 /nfs/dbraw/zinc/91/07/77/563910777.db2.gz AJBKZKDZWHVZEX-UHFFFAOYSA-N 0 0 313.611 5.743 10 0 DKAERN Cc1c(N)cc(-c2cc(Cl)cc(Cl)c2)cc1C(F)(F)F ZINC000675078966 563911151 /nfs/dbraw/zinc/91/11/51/563911151.db2.gz CWRAQDLRCJHJNH-UHFFFAOYSA-N 0 0 320.141 5.570 10 0 DKAERN Cc1c(N)cc(-c2cccc(Cl)c2F)cc1C(F)(F)F ZINC000675079046 563911128 /nfs/dbraw/zinc/91/11/28/563911128.db2.gz DSLWRXUBDURWBZ-UHFFFAOYSA-N 0 0 303.686 5.056 10 0 DKAERN Cc1c(N)cc(-c2ccc(Cl)c(Cl)c2)cc1C(F)(F)F ZINC000675079890 563911309 /nfs/dbraw/zinc/91/13/09/563911309.db2.gz JVXUXUPOZZOONC-UHFFFAOYSA-N 0 0 320.141 5.570 10 0 DKAERN Cc1c(N)cc(-c2ccc(Cl)cc2Cl)cc1C(F)(F)F ZINC000675080018 563911348 /nfs/dbraw/zinc/91/13/48/563911348.db2.gz KVKYIVOTFZVCRN-UHFFFAOYSA-N 0 0 320.141 5.570 10 0 DKAERN Cc1c(N)cc(-c2ccc(F)c(Cl)c2)cc1C(F)(F)F ZINC000675080021 563911360 /nfs/dbraw/zinc/91/13/60/563911360.db2.gz LBAJYBFCPHIMTE-UHFFFAOYSA-N 0 0 303.686 5.056 10 0 DKAERN Cc1c(N)cc(-c2ccc(Cl)cc2F)cc1C(F)(F)F ZINC000675080235 563911337 /nfs/dbraw/zinc/91/13/37/563911337.db2.gz PQHGAXSKZHCRMR-UHFFFAOYSA-N 0 0 303.686 5.056 10 0 DKAERN Cc1c(N)cc(-c2ccc(Cl)c(F)c2)cc1C(F)(F)F ZINC000675080733 563911365 /nfs/dbraw/zinc/91/13/65/563911365.db2.gz USKRAOIUESUHJH-UHFFFAOYSA-N 0 0 303.686 5.056 10 0 DKAERN Cc1c(N)cc(-c2cc(Cl)ccc2Cl)cc1C(F)(F)F ZINC000675080748 563911326 /nfs/dbraw/zinc/91/13/26/563911326.db2.gz VERIQMKRZNPURJ-UHFFFAOYSA-N 0 0 320.141 5.570 10 0 DKAERN C[Si](C)(C)CCSCc1sc2ccccc2c1Cl ZINC000725244999 563526086 /nfs/dbraw/zinc/52/60/86/563526086.db2.gz COBFPJTZORLLPD-UHFFFAOYSA-N 0 0 314.979 6.126 10 0 DKAERN C[Si](C)(C)CCSCc1cc(Cl)cc(Cl)c1F ZINC000725245021 563526288 /nfs/dbraw/zinc/52/62/88/563526288.db2.gz DHAQKYIIMCIWFL-UHFFFAOYSA-N 0 0 311.325 5.704 10 0 DKAERN Cc1c(Br)cccc1CSCC[Si](C)(C)C ZINC000725245562 563526272 /nfs/dbraw/zinc/52/62/72/563526272.db2.gz KIDOYMXYJAUQNZ-UHFFFAOYSA-N 0 0 317.368 5.329 10 0 DKAERN C[Si](C)(C)CCSCc1ccc(F)c(Br)c1 ZINC000725246337 563526147 /nfs/dbraw/zinc/52/61/47/563526147.db2.gz URHCQKHMEKCFDK-UHFFFAOYSA-N 0 0 321.331 5.160 10 0 DKAERN Cc1nc(C(F)(F)F)c(CSCC[Si](C)(C)C)s1 ZINC000725246604 563526184 /nfs/dbraw/zinc/52/61/84/563526184.db2.gz YZZBKGIDIVYRCY-UHFFFAOYSA-N 0 0 313.486 5.042 10 0 DKAERN CC(C)(C)OC(=O)/C=C/c1cccc(-c2ccc(Cl)cc2)c1 ZINC000725273827 563579113 /nfs/dbraw/zinc/57/91/13/563579113.db2.gz KVHOBPRAZLPUHL-KPKJPENVSA-N 0 0 314.812 5.362 10 0 DKAERN CC(C)(C)OC(=O)/C=C/c1ccccc1OCC1CCCCC1 ZINC000725273941 563579246 /nfs/dbraw/zinc/57/92/46/563579246.db2.gz WVHRIDMUPOAHOX-BUHFOSPRSA-N 0 0 316.441 5.001 10 0 DKAERN