smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NC1CCCCC1)Oc1ccccc1-c1ccccc1 ZINC000000016019 567816506 /nfs/dbraw/zinc/81/65/06/567816506.db2.gz IORQOHQWIRQNRN-UHFFFAOYSA-N 0 0 295.382 4.775 40 0 CJABRN Cc1oc2ccccc2c1-c1ccc2ccccc2n1 ZINC000000035282 567901818 /nfs/dbraw/zinc/90/18/18/567901818.db2.gz MLKHQNPRJFFMQJ-UHFFFAOYSA-N 0 0 259.308 4.956 40 0 CJABRN Cc1cc(C)c(C(=O)Nc2cc(Cl)ccc2C)c(C)c1 ZINC000000037865 567905428 /nfs/dbraw/zinc/90/54/28/567905428.db2.gz KGQOTILUSJMDOC-UHFFFAOYSA-N 0 0 287.790 4.826 40 0 CJABRN Cc1ccc(NC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000000042500 169515107 /nfs/dbraw/zinc/51/51/07/169515107.db2.gz WVEDTUMTXMMHNG-UHFFFAOYSA-N 0 0 295.169 4.946 40 0 CJABRN CC(C)(C)c1ccc(OC(=O)Nc2ccccc2)cc1 ZINC000000047013 570252788 /nfs/dbraw/zinc/25/27/88/570252788.db2.gz GNLRBUXTMCTMQI-UHFFFAOYSA-N 0 0 269.344 4.595 40 0 CJABRN CC/C(=C(\CC)c1ccc(O)cc1)c1ccc(O)cc1 ZINC000000056544 567817189 /nfs/dbraw/zinc/81/71/89/567817189.db2.gz RGLYKWWBQGJZGM-ZCXUNETKSA-N 0 0 268.356 4.829 40 0 world CJABRN C[C@@]1(Cl)C(=O)C[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000000058630 567903276 /nfs/dbraw/zinc/90/32/76/567903276.db2.gz QRBQQPHYLRNNPH-RYQLBKOJSA-N 0 0 284.786 4.524 40 0 CJABRN O=C(Sc1cccc2ncccc21)c1ccccc1Cl ZINC000000064500 567903703 /nfs/dbraw/zinc/90/37/03/567903703.db2.gz ZBWWXDVZBOOOIH-UHFFFAOYSA-N 0 0 299.782 4.821 40 0 CJABRN O=C(Nc1ccccc1Nc1ccccc1)c1ccccc1 ZINC000000075557 570267710 /nfs/dbraw/zinc/26/77/10/570267710.db2.gz UZFYPOXSNSAIKK-UHFFFAOYSA-N 0 0 288.350 4.683 40 0 CJABRN C[C@H](Sc1nc2ccc(N)cc2s1)c1ccccc1 ZINC000000080079 230365773 /nfs/dbraw/zinc/36/57/73/230365773.db2.gz OZRIVGYBUYILEO-JTQLQIEISA-N 0 0 286.425 4.732 40 0 CJABRN C[C@@H](Sc1nc2ccc(N)cc2s1)c1ccccc1 ZINC000000080083 534018517 /nfs/dbraw/zinc/01/85/17/534018517.db2.gz OZRIVGYBUYILEO-SNVBAGLBSA-N 0 0 286.425 4.732 40 0 CJABRN Clc1ccc(-c2nc(-c3ccccc3)no2)cc1Cl ZINC000000088031 566874939 /nfs/dbraw/zinc/87/49/39/566874939.db2.gz DLMYAGCVYXQROO-UHFFFAOYSA-N 0 0 291.137 4.710 40 0 CJABRN C[C@H]1c2ccccc2NC=C1c1ccc2ccccc2n1 ZINC000000091545 567818110 /nfs/dbraw/zinc/81/81/10/567818110.db2.gz KUHFRKQZAPVVCI-ZDUSSCGKSA-N 0 0 272.351 4.805 40 0 CJABRN C[C@@H]1c2ccccc2NC=C1c1ccc2ccccc2n1 ZINC000000091550 567818028 /nfs/dbraw/zinc/81/80/28/567818028.db2.gz KUHFRKQZAPVVCI-CYBMUJFWSA-N 0 0 272.351 4.805 40 0 CJABRN Clc1ccccc1COc1ccc(Br)cc1 ZINC000000095246 169534331 /nfs/dbraw/zinc/53/43/31/169534331.db2.gz BOWMLVAOJWGXMT-UHFFFAOYSA-N 0 0 297.579 4.682 40 0 CJABRN Clc1ccc(-c2cc(-c3cccs3)on2)cc1 ZINC000000100430 566977435 /nfs/dbraw/zinc/97/74/35/566977435.db2.gz LHXZMKGGMWHVRV-UHFFFAOYSA-N 0 0 261.733 4.724 40 0 CJABRN O=C1C[C@@H](c2cccc(Cl)c2)Sc2ccccc2N1 ZINC000000128486 567819499 /nfs/dbraw/zinc/81/94/99/567819499.db2.gz RTNIBKIWELCLBZ-AWEZNQCLSA-N 0 0 289.787 4.516 40 0 CJABRN O=C1C[C@H](c2cccc(Cl)c2)Sc2ccccc2N1 ZINC000000128488 567819380 /nfs/dbraw/zinc/81/93/80/567819380.db2.gz RTNIBKIWELCLBZ-CQSZACIVSA-N 0 0 289.787 4.516 40 0 CJABRN Cc1cccc(C)c1OC(=O)/C=C/c1ccccc1Cl ZINC000000129539 169547024 /nfs/dbraw/zinc/54/70/24/169547024.db2.gz GWSVBLWLFRYZQL-ZHACJKMWSA-N 0 0 286.758 4.576 40 0 CJABRN Cc1cccc(C)c1OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000129562 169547008 /nfs/dbraw/zinc/54/70/08/169547008.db2.gz FTFJOLLLJMRXJB-UHFFFAOYSA-N 0 0 295.165 4.829 40 0 CJABRN CC1(C)C(C(=O)Nc2c(Cl)cccc2Cl)C1(C)C ZINC000000130642 570268930 /nfs/dbraw/zinc/26/89/30/570268930.db2.gz NCXXXQMXCPODOO-UHFFFAOYSA-N 0 0 286.202 4.614 40 0 CJABRN Cc1sc(C(=O)c2ccccc2)cc1-c1ccccc1 ZINC000000133458 567819768 /nfs/dbraw/zinc/81/97/68/567819768.db2.gz FFEUVKQSTUSGME-UHFFFAOYSA-N 0 0 278.376 4.955 40 0 CJABRN Cc1cc(C)c(COc2ccc(Cl)cc2)c(C)c1C=O ZINC000000135437 567929282 /nfs/dbraw/zinc/92/92/82/567929282.db2.gz LULITNVNUGTVBR-UHFFFAOYSA-N 0 0 288.774 4.657 40 0 CJABRN CC(C)(C)c1ccc(NC(=O)Nc2cccc(F)c2)cc1 ZINC000000137475 570269292 /nfs/dbraw/zinc/26/92/92/570269292.db2.gz NXDYDMCSQOFHEN-UHFFFAOYSA-N 0 0 286.350 4.767 40 0 CJABRN Cc1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000000137525 570269384 /nfs/dbraw/zinc/26/93/84/570269384.db2.gz CZAMQDCDUZRNRU-UHFFFAOYSA-N 0 0 294.276 4.658 40 0 CJABRN Cc1cccc(C(C)C)c1NC(=O)Oc1ccccc1 ZINC000000140394 567935503 /nfs/dbraw/zinc/93/55/03/567935503.db2.gz KLJDCYTVYAOVQJ-UHFFFAOYSA-N 0 0 269.344 4.729 40 0 CJABRN CC(C)(C)c1ccc(OC(=O)c2cccc(Cl)c2)cc1 ZINC000000143328 567820133 /nfs/dbraw/zinc/82/01/33/567820133.db2.gz KLECFPZVVNSCCG-UHFFFAOYSA-N 0 0 288.774 4.857 40 0 CJABRN CC(C)(C)c1ccc(OC(=O)c2cc3ccccc3o2)cc1 ZINC000000143374 526783530 /nfs/dbraw/zinc/78/35/30/526783530.db2.gz FVVAZLNFIMYCSK-UHFFFAOYSA-N 0 0 294.350 4.950 40 0 CJABRN Cc1cc(C)c(NC(=O)Nc2ccccc2)c(Cl)c1 ZINC000000145407 567923852 /nfs/dbraw/zinc/92/38/52/567923852.db2.gz BSIFTYNHZACRHW-UHFFFAOYSA-N 0 0 274.751 4.601 40 0 CJABRN Fc1ccc(-c2csc3nc(-c4ccccc4)cn23)cc1 ZINC000000151507 566875537 /nfs/dbraw/zinc/87/55/37/566875537.db2.gz QLGAVZMWLHQYDJ-UHFFFAOYSA-N 0 0 294.354 4.869 40 0 CJABRN Cc1ccn2cc(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000000151529 567923914 /nfs/dbraw/zinc/92/39/14/567923914.db2.gz IJODHRIDTKTEJU-UHFFFAOYSA-N 0 0 277.154 4.617 40 0 CJABRN CC(C)(C)C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000000156018 169557077 /nfs/dbraw/zinc/55/70/77/169557077.db2.gz ITEMAFJPIQQQMO-UHFFFAOYSA-N 0 0 254.329 4.708 40 0 CJABRN Clc1ccccc1-c1nc(Cl)c(Cl)c(Cl)n1 ZINC000000159388 567820664 /nfs/dbraw/zinc/82/06/64/567820664.db2.gz VWMNHQJPJWDGTH-UHFFFAOYSA-N 0 0 293.968 4.757 40 0 CJABRN Nc1ccc(-c2nc(-c3ccccc3)nc3ccccc32)cc1 ZINC000000191156 567935411 /nfs/dbraw/zinc/93/54/11/567935411.db2.gz GUCUWHAOGNZCCE-UHFFFAOYSA-N 0 0 297.361 4.546 40 0 CJABRN Cc1ccc(SCc2nc3ccccn3c2Cl)cc1 ZINC000000193587 567925105 /nfs/dbraw/zinc/92/51/05/567925105.db2.gz JBIQRZNNOUEQPH-UHFFFAOYSA-N 0 0 288.803 4.588 40 0 CJABRN O=C(Nc1ccccc1)c1cc2c(ccc3ccccc23)o1 ZINC000000237579 567935603 /nfs/dbraw/zinc/93/56/03/567935603.db2.gz OAPJCYFXLISHKZ-UHFFFAOYSA-N 0 0 287.318 4.838 40 0 CJABRN Cc1cc(C)nc(SCc2ccc(Cl)c(Cl)c2)n1 ZINC000000243503 567929640 /nfs/dbraw/zinc/92/96/40/567929640.db2.gz LFIFWTKJJZCFFJ-UHFFFAOYSA-N 0 0 299.226 4.693 40 0 CJABRN CCc1c(-c2ccc(Cl)cc2)nc2n1Cc1ccccc1-2 ZINC000000245550 567931228 /nfs/dbraw/zinc/93/12/28/567931228.db2.gz LBUQIPHUBXAINE-UHFFFAOYSA-N 0 0 294.785 4.795 40 0 CJABRN CC(=O)C[C@H](Sc1ccc(C)cc1)c1ccccc1 ZINC000000258786 567929514 /nfs/dbraw/zinc/92/95/14/567929514.db2.gz OQSNCRRXXGWNQS-KRWDZBQOSA-N 0 0 270.397 4.808 40 0 CJABRN CC(=O)C[C@@H](Sc1ccc(C)cc1)c1ccccc1 ZINC000000258791 567929567 /nfs/dbraw/zinc/92/95/67/567929567.db2.gz OQSNCRRXXGWNQS-QGZVFWFLSA-N 0 0 270.397 4.808 40 0 CJABRN Cc1cc(-c2ccccc2)c2cc(Cl)ccc2n1 ZINC000000275679 567823650 /nfs/dbraw/zinc/82/36/50/567823650.db2.gz NQIDRVKTLRTLLV-UHFFFAOYSA-N 0 0 253.732 4.864 40 0 CJABRN CCCc1c(C)nc2c(Cl)cccc2c1Cl ZINC000000291363 567929468 /nfs/dbraw/zinc/92/94/68/567929468.db2.gz AXZYKRRPFRYNMM-UHFFFAOYSA-N 0 0 254.160 4.803 40 0 CJABRN CCCc1c(C)nc2ccc(Br)cc2c1Cl ZINC000000291366 169598973 /nfs/dbraw/zinc/59/89/73/169598973.db2.gz DSKGRITZMPDOBL-UHFFFAOYSA-N 0 0 298.611 4.912 40 0 CJABRN CCc1c(C)nc2ccc(Br)cc2c1Cl ZINC000000291372 567929642 /nfs/dbraw/zinc/92/96/42/567929642.db2.gz MIKLUCIWYBHFAU-UHFFFAOYSA-N 0 0 284.584 4.522 40 0 CJABRN COc1ccc2nc(C)cc(SCc3ccccc3)c2c1 ZINC000000308497 567929475 /nfs/dbraw/zinc/92/94/75/567929475.db2.gz WZBURWGBSZMYGK-UHFFFAOYSA-N 0 0 295.407 4.844 40 0 CJABRN Cc1ccc(CSc2nnc(-c3ccccc3C)o2)cc1 ZINC000000319303 567929455 /nfs/dbraw/zinc/92/94/55/567929455.db2.gz SQIOXJPHLFLJOW-UHFFFAOYSA-N 0 0 296.395 4.646 40 0 CJABRN Cc1ccc(-c2nc3ccccn3c2NC(C)(C)C)cc1 ZINC000000320113 567929418 /nfs/dbraw/zinc/92/94/18/567929418.db2.gz UGQVUNRZJYGZLR-UHFFFAOYSA-N 0 0 279.387 4.520 40 0 CJABRN Cc1cccc2nc(-c3ccccc3)c(NC(C)(C)C)n21 ZINC000000320156 567929491 /nfs/dbraw/zinc/92/94/91/567929491.db2.gz JSYCHNPEHOKLPS-UHFFFAOYSA-N 0 0 279.387 4.520 40 0 CJABRN Cc1ccn2c(c1)nc(-c1ccc(F)cc1)c2NC(C)(C)C ZINC000000320206 567825336 /nfs/dbraw/zinc/82/53/36/567825336.db2.gz UVBAPMXYRMDNAM-UHFFFAOYSA-N 0 0 297.377 4.659 40 0 CJABRN CC(C)(C)Nc1c(-c2ccccc2)nc2ccc(Cl)cn21 ZINC000000320243 567929612 /nfs/dbraw/zinc/92/96/12/567929612.db2.gz HSKZHPDQVIUAAR-UHFFFAOYSA-N 0 0 299.805 4.865 40 0 CJABRN O=Cc1ccc(-c2ccc(-c3cccs3)o2)s1 ZINC000000332275 567825587 /nfs/dbraw/zinc/82/55/87/567825587.db2.gz NWKARVWAOBILCX-UHFFFAOYSA-N 0 0 260.339 4.549 40 0 CJABRN COc1ccc(Cc2ccc(OC)c(Cl)c2)cc1Cl ZINC000000341071 169611398 /nfs/dbraw/zinc/61/13/98/169611398.db2.gz RUSNLNSQLXBYQI-UHFFFAOYSA-N 0 0 297.181 4.601 40 0 CJABRN Cc1ccc(Nc2cc(Cl)nc(-c3ccccc3)n2)cc1 ZINC000000343296 567936026 /nfs/dbraw/zinc/93/60/26/567936026.db2.gz XEGCDEXVZIBTNS-UHFFFAOYSA-N 0 0 295.773 4.849 40 0 CJABRN C/C(Cl)=C\Cc1c(C)nc2ccccc2c1Cl ZINC000000345809 169612983 /nfs/dbraw/zinc/61/29/83/169612983.db2.gz RSOGGCWGGYOQDZ-VQHVLOKHSA-N 0 0 266.171 4.882 40 0 CJABRN CC(C)CCOc1ccc(C(=O)Cc2ccccc2)cc1 ZINC000000346111 567929764 /nfs/dbraw/zinc/92/97/64/567929764.db2.gz AXOYPCZJJZENCC-UHFFFAOYSA-N 0 0 282.383 4.537 40 0 CJABRN CC(C)(C)c1ccc(C(=O)Sc2ccccc2)cc1 ZINC000000354489 567929428 /nfs/dbraw/zinc/92/94/28/567929428.db2.gz QUHFJJRXWHUSTP-UHFFFAOYSA-N 0 0 270.397 4.917 40 0 CJABRN Cc1nc2cc(/C=C/c3ccccc3)ccc2s1 ZINC000000357780 567929830 /nfs/dbraw/zinc/92/98/30/567929830.db2.gz UGYKYWBATIIVIM-BQYQJAHWSA-N 0 0 251.354 4.775 40 0 CJABRN c1coc([C@H]2Nc3c4ccccc4ccc3[C@@H]3OCC[C@@H]32)c1 ZINC000000377081 567929928 /nfs/dbraw/zinc/92/99/28/567929928.db2.gz MTKYIPYNZIGFMJ-MNEFBYGVSA-N 0 0 291.350 4.677 40 0 CJABRN Cc1cccc(C)c1NC(=O)[C@@H](C)SCc1ccccc1 ZINC000000379167 567936082 /nfs/dbraw/zinc/93/60/82/567936082.db2.gz LPGXNQXNTZRNOD-OAHLLOKOSA-N 0 0 299.439 4.564 40 0 CJABRN Cc1cccc(C)c1NC(=O)[C@H](C)SCc1ccccc1 ZINC000000379168 567935971 /nfs/dbraw/zinc/93/59/71/567935971.db2.gz LPGXNQXNTZRNOD-HNNXBMFYSA-N 0 0 299.439 4.564 40 0 CJABRN Brc1ccc(Sc2ccccc2)cc1 ZINC000000399952 567829302 /nfs/dbraw/zinc/82/93/02/567829302.db2.gz GLXVKUVWFRUQHW-UHFFFAOYSA-N 0 0 265.175 4.600 40 0 CJABRN C[C@H](ON1C(C)(C)CCCC1(C)C)c1ccccc1 ZINC000000403298 169631583 /nfs/dbraw/zinc/63/15/83/169631583.db2.gz WURBRXPDUPECQX-AWEZNQCLSA-N 0 0 261.409 4.722 40 0 in-vitro CJABRN C[C@@H](ON1C(C)(C)CCCC1(C)C)c1ccccc1 ZINC000000403299 567829383 /nfs/dbraw/zinc/82/93/83/567829383.db2.gz WURBRXPDUPECQX-CQSZACIVSA-N 0 0 261.409 4.722 40 0 in-vitro CJABRN Cc1sc2ncnc(Oc3ccc(Cl)cc3)c2c1C ZINC000000411191 567929943 /nfs/dbraw/zinc/92/99/43/567929943.db2.gz IWFZCQAVQYYUHF-UHFFFAOYSA-N 0 0 290.775 4.754 40 0 CJABRN CC(C)(C)c1ccc(-c2nnc(-c3cccs3)o2)cc1 ZINC000000411279 169633717 /nfs/dbraw/zinc/63/37/17/169633717.db2.gz FEMDXCWKWDOQAJ-UHFFFAOYSA-N 0 0 284.384 4.763 40 0 CJABRN Clc1ccc(CNc2cccc3ncccc32)cc1 ZINC000000411417 567936134 /nfs/dbraw/zinc/93/61/34/567936134.db2.gz HDUXWVWQXPCNSM-UHFFFAOYSA-N 0 0 268.747 4.500 40 0 CJABRN Cc1ccn2c(c1)nc(-c1ccccc1)c2NC(C)(C)C ZINC000000411920 567929966 /nfs/dbraw/zinc/92/99/66/567929966.db2.gz XKXCEJQFBQELLH-UHFFFAOYSA-N 0 0 279.387 4.520 40 0 CJABRN c1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1 ZINC000000412099 566979963 /nfs/dbraw/zinc/97/99/63/566979963.db2.gz ITAFYXQWMNSVLS-UHFFFAOYSA-N 0 0 291.398 4.746 40 0 CJABRN Cc1ccc(-c2nc3ccccn3c2NC2CCCC2)cc1 ZINC000000412107 567929871 /nfs/dbraw/zinc/92/98/71/567929871.db2.gz NEGXMUFWTZKVRA-UHFFFAOYSA-N 0 0 291.398 4.664 40 0 CJABRN Cc1ccc2nc(-c3ccccc3)c(NC(C)(C)C)n2c1 ZINC000000412135 567929685 /nfs/dbraw/zinc/92/96/85/567929685.db2.gz BGOCJSIYPFNKAJ-UHFFFAOYSA-N 0 0 279.387 4.520 40 0 CJABRN Cc1cc2ccccc2nc1SCC(=O)c1ccccc1 ZINC000000412448 169633999 /nfs/dbraw/zinc/63/39/99/169633999.db2.gz LUYSLDIPCJJCCJ-UHFFFAOYSA-N 0 0 293.391 4.518 40 0 CJABRN CCC(C)(C)Nc1c(-c2ccc(F)cc2)nc2ccccn21 ZINC000000413680 567929972 /nfs/dbraw/zinc/92/99/72/567929972.db2.gz BFBYCDVZQAFATN-UHFFFAOYSA-N 0 0 297.377 4.741 40 0 CJABRN 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CC[C@@H](C)N(C(=O)SCc1ccccc1)[C@@H](C)CC ZINC000002008355 567844053 /nfs/dbraw/zinc/84/40/53/567844053.db2.gz PHSUVQBHRAWOQD-OKILXGFUSA-N 0 0 279.449 4.939 40 0 in-vitro CJABRN CC[C@H](C)N(C(=O)SCc1ccccc1)[C@@H](C)CC ZINC000002008356 169767288 /nfs/dbraw/zinc/76/72/88/169767288.db2.gz PHSUVQBHRAWOQD-KBPBESRZSA-N 0 0 279.449 4.939 40 0 in-vitro CJABRN CC[C@@H](C)N(C(=O)SCc1ccccc1)[C@H](C)CC ZINC000002008357 567844041 /nfs/dbraw/zinc/84/40/41/567844041.db2.gz PHSUVQBHRAWOQD-ZIAGYGMSSA-N 0 0 279.449 4.939 40 0 in-vitro CJABRN Clc1ccc2c(c1)Oc1ccc(Cl)cc1O2 ZINC000002009947 169766925 /nfs/dbraw/zinc/76/69/25/169766925.db2.gz NBFMTHWVRBOVPE-UHFFFAOYSA-N 0 0 253.084 4.891 40 0 CJABRN CCCCCC(=O)OC/C=C(/C)CCC=C(C)C ZINC000002030906 574411697 /nfs/dbraw/zinc/41/16/97/574411697.db2.gz ARVSCQUZFFSNKF-QINSGFPZSA-N 0 0 252.398 4.803 40 0 endogenous,in-man CJABRN CC[C@@H](c1ccc(Cl)cc1)N(CC)c1ccccn1 ZINC000002035251 567844017 /nfs/dbraw/zinc/84/40/17/567844017.db2.gz ANWWAPZDSLQNLG-HNNXBMFYSA-N 0 0 274.795 4.713 40 0 CJABRN Fc1ccc(SCc2ccc(Cl)cc2)cc1 ZINC000002040647 567045024 /nfs/dbraw/zinc/04/50/24/567045024.db2.gz GBZXOIUBLKUSJR-UHFFFAOYSA-N 0 0 252.741 4.771 40 0 CJABRN CC(C)=CCC[C@H](C)CCOC(=O)Cc1ccccc1 ZINC000002040988 574411782 /nfs/dbraw/zinc/41/17/82/574411782.db2.gz CVJBFMVLVJZZMM-INIZCTEOSA-N 0 0 274.404 4.545 40 0 endogenous,in-man CJABRN CC(C)=CCC[C@@H](C)CCOC(=O)Cc1ccccc1 ZINC000002040989 574411786 /nfs/dbraw/zinc/41/17/86/574411786.db2.gz CVJBFMVLVJZZMM-MRXNPFEDSA-N 0 0 274.404 4.545 40 0 endogenous,in-man CJABRN O[C@@H](c1cc2ccccc2s1)c1ccc(Cl)cc1 ZINC000002042461 567844443 /nfs/dbraw/zinc/84/44/43/567844443.db2.gz SJODJLVUCGCPHD-OAHLLOKOSA-N 0 0 274.772 4.636 40 0 CJABRN O=C1C[C@H](c2ccccc2Cl)Oc2ccc(Cl)cc21 ZINC000002042516 567844544 /nfs/dbraw/zinc/84/45/44/567844544.db2.gz BOERXLYRJBUCBG-OAHLLOKOSA-N 0 0 293.149 4.700 40 0 CJABRN O=C1C[C@H](c2ccc(Cl)cc2)Oc2ccc(Cl)cc21 ZINC000002042517 169770992 /nfs/dbraw/zinc/77/09/92/169770992.db2.gz 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/nfs/dbraw/zinc/84/53/02/567845302.db2.gz SCUJLUNUPFZCSY-AUUYWEPGSA-N 0 0 287.362 4.564 40 0 CJABRN Cc1c2cc(F)ccc2oc(=O)c1-c1ccc(Cl)cc1 ZINC000002243264 567845312 /nfs/dbraw/zinc/84/53/12/567845312.db2.gz CCFREWLDFUDWAK-UHFFFAOYSA-N 0 0 288.705 4.561 40 0 CJABRN Cc1c2cc(F)ccc2oc(=O)c1-c1ccccc1Cl ZINC000002243265 567845272 /nfs/dbraw/zinc/84/52/72/567845272.db2.gz PPLZAAXHEYFWFX-UHFFFAOYSA-N 0 0 288.705 4.561 40 0 CJABRN Cc1c2cc(F)ccc2oc(=O)c1-c1cccc(Cl)c1 ZINC000002243266 567845223 /nfs/dbraw/zinc/84/52/23/567845223.db2.gz QOCYAJBXFSZDFZ-UHFFFAOYSA-N 0 0 288.705 4.561 40 0 CJABRN Fc1ccccc1-c1nc2c(ccc3ccccc23)o1 ZINC000002342921 169787030 /nfs/dbraw/zinc/78/70/30/169787030.db2.gz LOJIZZQZOBSWEI-UHFFFAOYSA-N 0 0 263.271 4.787 40 0 CJABRN Fc1ccc(C(F)(F)C(F)(F)c2ccc(F)cc2)cc1 ZINC000002382362 169788867 /nfs/dbraw/zinc/78/88/67/169788867.db2.gz OCIWSXHEGSCIOO-UHFFFAOYSA-N 0 0 290.206 4.849 40 0 CJABRN Cc1cc(Cl)c2cc(-c3ccccc3)ccc2n1 ZINC000002386323 567846057 /nfs/dbraw/zinc/84/60/57/567846057.db2.gz CMSYHFRKKYKMQM-UHFFFAOYSA-N 0 0 253.732 4.864 40 0 CJABRN CC(C)(C)C1CCC2(CC1)NN=C(c1ccccc1)S2 ZINC000002500679 567846202 /nfs/dbraw/zinc/84/62/02/567846202.db2.gz RLTBRKDIPUMMHP-UHFFFAOYSA-N 0 0 288.460 4.617 40 0 CJABRN CCCCCC(=O)OCC/C(C)=C/CCC(C)C ZINC000002504528 169796428 /nfs/dbraw/zinc/79/64/28/169796428.db2.gz WWMFYORPEAOOMO-XNTDXEJSSA-N 0 0 254.414 4.883 40 0 CJABRN O=Cc1ccccc1Nc1c(Cl)cccc1Cl ZINC000002510767 567846495 /nfs/dbraw/zinc/84/64/95/567846495.db2.gz MILOIOYXRHLAAH-UHFFFAOYSA-N 0 0 266.127 4.550 40 0 in-vitro CJABRN CCOC(=O)c1[nH]c(C)c2c1CCCCCCCCCC2 ZINC000002518804 566915653 /nfs/dbraw/zinc/91/56/53/566915653.db2.gz JGIGIGZBJFGPJR-UHFFFAOYSA-N 0 0 291.435 4.719 40 0 CJABRN O=C1CCC(c2ccc(-c3ccccc3)cc2)CC1 ZINC000002525457 567146260 /nfs/dbraw/zinc/14/62/60/567146260.db2.gz RUWXYHFRJXGBRY-UHFFFAOYSA-N 0 0 250.341 4.580 40 0 CJABRN Nc1ccccc1-c1cccc(OCc2ccccc2)c1 ZINC000002525599 169802555 /nfs/dbraw/zinc/80/25/55/169802555.db2.gz ICLWIOSPYJMJLC-UHFFFAOYSA-N 0 0 275.351 4.515 40 0 CJABRN Nc1cccc(-c2ccccc2OCc2ccccc2)c1 ZINC000002525601 169802542 /nfs/dbraw/zinc/80/25/42/169802542.db2.gz HKQRJEFCGSJXSD-UHFFFAOYSA-N 0 0 275.351 4.515 40 0 CJABRN Nc1ccc(-c2ccccc2OCc2ccccc2)cc1 ZINC000002525604 570385273 /nfs/dbraw/zinc/38/52/73/570385273.db2.gz UKOXHXPMLHLRRR-UHFFFAOYSA-N 0 0 275.351 4.515 40 0 CJABRN CC(=O)c1cccc(-c2cccc(C(F)(F)F)c2)c1 ZINC000002525754 567145755 /nfs/dbraw/zinc/14/57/55/567145755.db2.gz HHBPDGRNRIYQEL-UHFFFAOYSA-N 0 0 264.246 4.575 40 0 CJABRN CCCC/C=C/[C@@](F)(Cl)C(F)(F)Br ZINC000002526354 169802460 /nfs/dbraw/zinc/80/24/60/169802460.db2.gz HBFAGZRUEZHODB-XPPMVYLVSA-N 0 0 279.527 4.625 40 0 CJABRN CCOC(=O)c1c[nH]c(-c2ccccc2)c1-c1ccccc1 ZINC000002527310 567847632 /nfs/dbraw/zinc/84/76/32/567847632.db2.gz HTSROGFJSMXEFJ-UHFFFAOYSA-N 0 0 291.350 4.525 40 0 CJABRN Fc1ccc(-c2nc(Cl)c3ccc(Cl)cc3n2)cc1 ZINC000002527421 570333810 /nfs/dbraw/zinc/33/38/10/570333810.db2.gz RWGQLOFTQOEPGM-UHFFFAOYSA-N 0 0 293.128 4.743 40 0 CJABRN Fc1ccccc1-c1nc(Cl)c2ccc(Cl)cc2n1 ZINC000002527427 570333619 /nfs/dbraw/zinc/33/36/19/570333619.db2.gz RKSKGXIPWCKCPJ-UHFFFAOYSA-N 0 0 293.128 4.743 40 0 CJABRN Cc1ccc2nc(-c3ccc(Cl)cc3)nc(Cl)c2c1 ZINC000002527433 570391935 /nfs/dbraw/zinc/39/19/35/570391935.db2.gz FQAGOXLBNSMBFS-UHFFFAOYSA-N 0 0 289.165 4.912 40 0 CJABRN Fc1ccc2c(Cl)nc(-c3ccc(Cl)cc3)nc2c1 ZINC000002527435 570333724 /nfs/dbraw/zinc/33/37/24/570333724.db2.gz OAYVABJBTQJKCV-UHFFFAOYSA-N 0 0 293.128 4.743 40 0 CJABRN Cc1cccc2nc(-c3ccc(Cl)cc3)nc(Cl)c12 ZINC000002527436 570391925 /nfs/dbraw/zinc/39/19/25/570391925.db2.gz JLRUACUTKLKJFI-UHFFFAOYSA-N 0 0 289.165 4.912 40 0 CJABRN CCCCCCc1ccc(C(OCC)OCC)cc1 ZINC000002539255 567847862 /nfs/dbraw/zinc/84/78/62/567847862.db2.gz ZNJWMCAMNLPWBX-UHFFFAOYSA-N 0 0 264.409 4.881 40 0 CJABRN Cc1c(Cl)cc(C(F)(F)F)c(Cl)c1Cl ZINC000002540118 567847848 /nfs/dbraw/zinc/84/78/48/567847848.db2.gz MYFKTGNYJNFYBD-UHFFFAOYSA-N 0 0 263.473 4.974 40 0 CJABRN Fc1c(NCc2ccccc2)ccc(C(F)(F)F)c1F ZINC000002540131 567847656 /nfs/dbraw/zinc/84/76/56/567847656.db2.gz KOUXEXPIVJUPHW-UHFFFAOYSA-N 0 0 287.231 4.596 40 0 CJABRN Cc1ccc(SC(F)(F)[C@H](F)C(F)(F)F)cc1 ZINC000002540346 570351249 /nfs/dbraw/zinc/35/12/49/570351249.db2.gz KKVIWURNVWFMKO-MRVPVSSYSA-N 0 0 274.229 4.580 40 0 CJABRN Clc1ccc(-c2csc3c2ncnc3Cl)cc1 ZINC000002541403 567847853 /nfs/dbraw/zinc/84/78/53/567847853.db2.gz MATKJCHDNFGCKJ-UHFFFAOYSA-N 0 0 281.167 4.665 40 0 CJABRN Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1 ZINC000002541442 567847646 /nfs/dbraw/zinc/84/76/46/567847646.db2.gz OWEDFWZJRNPJIV-UHFFFAOYSA-N 0 0 268.356 4.617 40 0 CJABRN CCCCOc1ccc(OCCCC)c(Cl)c1 ZINC000002545271 567847665 /nfs/dbraw/zinc/84/76/65/567847665.db2.gz YXZPUUPBQVIBTL-UHFFFAOYSA-N 0 0 256.773 4.698 40 0 CJABRN Cc1ccc(Cl)c2c(Cl)cc(C(F)(F)F)nc12 ZINC000002564366 567848022 /nfs/dbraw/zinc/84/80/22/567848022.db2.gz KYQYMSKPVWGCEV-UHFFFAOYSA-N 0 0 280.076 4.869 40 0 CJABRN Cc1cc(O)ccc1C1(c2ccc(O)cc2C)CCCCC1 ZINC000002564430 567848211 /nfs/dbraw/zinc/84/82/11/567848211.db2.gz HTRZACCZTFTAIA-UHFFFAOYSA-N 0 0 296.410 4.965 40 0 CJABRN O=C1C[C@H](c2ccccc2)Oc2c3ccccc3ccc21 ZINC000002566042 169809912 /nfs/dbraw/zinc/80/99/12/169809912.db2.gz QEVIKVQRCYXXSA-GOSISDBHSA-N 0 0 274.319 4.546 40 0 biogenic,in-vivo CJABRN CC(C)(C)c1ccc(C(=O)C(Cl)(Cl)Cl)cc1 ZINC000002572211 567848524 /nfs/dbraw/zinc/84/85/24/567848524.db2.gz IMDHDEPPVWETOI-UHFFFAOYSA-N 0 0 279.594 4.537 40 0 CJABRN CCOC(OCC)c1ccc(/C=C/c2ccccc2)cc1 ZINC000002576971 567848377 /nfs/dbraw/zinc/84/83/77/567848377.db2.gz LKUHPNYFNZOTGE-ZHACJKMWSA-N 0 0 282.383 4.929 40 0 CJABRN Cc1ccc2cc(-c3ccccc3)c(Cl)nc2c1 ZINC000002577922 567848374 /nfs/dbraw/zinc/84/83/74/567848374.db2.gz UXEPEEALYXYHAE-UHFFFAOYSA-N 0 0 253.732 4.864 40 0 CJABRN COc1ccc(OC)c2nc(Cl)c(-c3ccccc3)cc12 ZINC000002577923 567848583 /nfs/dbraw/zinc/84/85/83/567848583.db2.gz YWNHDGBMSPPQJA-UHFFFAOYSA-N 0 0 299.757 4.572 40 0 CJABRN 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ZINC000008702488 170347656 /nfs/dbraw/zinc/34/76/56/170347656.db2.gz VIMRWXXNLDXZKL-NSHDSACASA-N 0 0 275.314 4.635 40 0 CJABRN CCCC(CCC)Oc1ccc(N)cc1C(F)(F)F ZINC000008702489 170347592 /nfs/dbraw/zinc/34/75/92/170347592.db2.gz FREBXRYJORMJBD-UHFFFAOYSA-N 0 0 275.314 4.635 40 0 CJABRN Nc1ccc(OC2CCCCCCC2)c(C(F)(F)F)c1 ZINC000008702500 170347474 /nfs/dbraw/zinc/34/74/74/170347474.db2.gz WQLOCFCIIAFWST-UHFFFAOYSA-N 0 0 287.325 4.779 40 0 CJABRN CCCCC[C@@H](C)Oc1ccc(C(F)(F)F)cc1N ZINC000008702516 170347438 /nfs/dbraw/zinc/34/74/38/170347438.db2.gz QFCAJRFHYCQFAU-SNVBAGLBSA-N 0 0 275.314 4.635 40 0 CJABRN CCCCC[C@H](C)Oc1ccc(C(F)(F)F)cc1N ZINC000008702517 170347410 /nfs/dbraw/zinc/34/74/10/170347410.db2.gz QFCAJRFHYCQFAU-JTQLQIEISA-N 0 0 275.314 4.635 40 0 CJABRN CCCC[C@@H](CC)Oc1ccc(C(F)(F)F)cc1N ZINC000008702518 170347460 /nfs/dbraw/zinc/34/74/60/170347460.db2.gz PYUNIBJSKQLGPK-LLVKDONJSA-N 0 0 275.314 4.635 40 0 CJABRN CCCC[C@H](CC)Oc1ccc(C(F)(F)F)cc1N ZINC000008702519 170347624 /nfs/dbraw/zinc/34/76/24/170347624.db2.gz PYUNIBJSKQLGPK-NSHDSACASA-N 0 0 275.314 4.635 40 0 CJABRN CCCC(CCC)Oc1ccc(C(F)(F)F)cc1N ZINC000008702520 170347618 /nfs/dbraw/zinc/34/76/18/170347618.db2.gz ACPQEKWRJWARIV-UHFFFAOYSA-N 0 0 275.314 4.635 40 0 CJABRN Nc1cc(C(F)(F)F)ccc1OC1CCCCCCC1 ZINC000008702532 170347572 /nfs/dbraw/zinc/34/75/72/170347572.db2.gz TZDDXFWMSBAXEO-UHFFFAOYSA-N 0 0 287.325 4.779 40 0 CJABRN Cc1cc(-c2nc3cc(Cl)cc(Cl)c3o2)ccc1N ZINC000008703358 170347845 /nfs/dbraw/zinc/34/78/45/170347845.db2.gz IQXDRYBTJBYILH-UHFFFAOYSA-N 0 0 293.153 4.692 40 0 CJABRN CC(C)c1ccc(-c2ccc(C=O)o2)c(Br)c1 ZINC000008729747 170350703 /nfs/dbraw/zinc/35/07/03/170350703.db2.gz HOVOTZVBRXZLRJ-UHFFFAOYSA-N 0 0 293.160 4.645 40 0 CJABRN CCCCCC[C@@H](C)Oc1c(N)cccc1Cl ZINC000008730293 170350517 /nfs/dbraw/zinc/35/05/17/170350517.db2.gz MRIJRNGFNVGKEO-LLVKDONJSA-N 0 0 255.789 4.660 40 0 CJABRN CCCCCC[C@H](C)Oc1c(N)cccc1Cl ZINC000008730294 170350579 /nfs/dbraw/zinc/35/05/79/170350579.db2.gz MRIJRNGFNVGKEO-NSHDSACASA-N 0 0 255.789 4.660 40 0 CJABRN CCCCCC[C@@H](C)Oc1ccc(N)cc1Cl ZINC000008730329 170350726 /nfs/dbraw/zinc/35/07/26/170350726.db2.gz MDDMHWRZRKQTKH-LLVKDONJSA-N 0 0 255.789 4.660 40 0 CJABRN CCCCCC[C@H](C)Oc1ccc(N)cc1Cl ZINC000008730330 170350793 /nfs/dbraw/zinc/35/07/93/170350793.db2.gz MDDMHWRZRKQTKH-NSHDSACASA-N 0 0 255.789 4.660 40 0 CJABRN CCCCCC[C@@H](C)Oc1ccc(Cl)cc1N ZINC000008730359 170350598 /nfs/dbraw/zinc/35/05/98/170350598.db2.gz CHTFBATZLPECSW-LLVKDONJSA-N 0 0 255.789 4.660 40 0 CJABRN CCCCCC[C@H](C)Oc1ccc(Cl)cc1N ZINC000008730360 170350950 /nfs/dbraw/zinc/35/09/50/170350950.db2.gz CHTFBATZLPECSW-NSHDSACASA-N 0 0 255.789 4.660 40 0 CJABRN Cc1cccc2nc(-c3cc(N)c(Cl)cc3Cl)oc21 ZINC000008732290 170351547 /nfs/dbraw/zinc/35/15/47/170351547.db2.gz QENHLUUUELCRBP-UHFFFAOYSA-N 0 0 293.153 4.692 40 0 CJABRN COc1cccc(C=O)c1Nc1ccc(Cl)c(Cl)c1 ZINC000008732594 170351647 /nfs/dbraw/zinc/35/16/47/170351647.db2.gz DRKZXYNCGSYMRE-UHFFFAOYSA-N 0 0 296.153 4.558 40 0 CJABRN COc1cccc(C=O)c1Nc1cc(Cl)cc(Cl)c1 ZINC000008732595 170351702 /nfs/dbraw/zinc/35/17/02/170351702.db2.gz UDWOCISRMPTTDK-UHFFFAOYSA-N 0 0 296.153 4.558 40 0 CJABRN Cc1ccc(-c2cn3ccc4ccccc4c3n2)s1 ZINC000008816131 170356547 /nfs/dbraw/zinc/35/65/47/170356547.db2.gz HMLWKSKPVRFJPO-UHFFFAOYSA-N 0 0 264.353 4.524 40 0 CJABRN CC(=O)Nc1ccc2oc(-c3ccc(C(C)C)cc3)nc2c1 ZINC000008902941 170358083 /nfs/dbraw/zinc/35/80/83/170358083.db2.gz REROXWSEQFJFFR-UHFFFAOYSA-N 0 0 294.354 4.577 40 0 CJABRN CCCCc1ccc(NC(=O)c2ccc(OC)c(C)c2)cc1 ZINC000009140110 256799374 /nfs/dbraw/zinc/79/93/74/256799374.db2.gz AMSIUCHBFUPDOX-UHFFFAOYSA-N 0 0 297.398 4.599 40 0 CJABRN CC[C@@H](C)c1ccccc1NC(=O)c1cccc(C)c1OC ZINC000009141449 567939148 /nfs/dbraw/zinc/93/91/48/567939148.db2.gz NHMGWZMADLUKOE-CYBMUJFWSA-N 0 0 297.398 4.769 40 0 CJABRN CC[C@H](C)c1ccccc1NC(=O)c1cccc(C)c1OC ZINC000009141450 567939024 /nfs/dbraw/zinc/93/90/24/567939024.db2.gz NHMGWZMADLUKOE-ZDUSSCGKSA-N 0 0 297.398 4.769 40 0 CJABRN O=C(Nc1cccc(F)c1)c1cccc2c(Cl)cccc12 ZINC000009141597 567939287 /nfs/dbraw/zinc/93/92/87/567939287.db2.gz VJMWYKRSLUYSGS-UHFFFAOYSA-N 0 0 299.732 4.885 40 0 CJABRN O=C(Nc1ccc(F)cc1)c1cccc2c(Cl)cccc12 ZINC000009141607 567939251 /nfs/dbraw/zinc/93/92/51/567939251.db2.gz ZSYYQNBKYMMNLL-UHFFFAOYSA-N 0 0 299.732 4.885 40 0 CJABRN CC(C)(C)c1ccc(C(=S)NC2CCCCC2)cc1 ZINC000009188062 170365524 /nfs/dbraw/zinc/36/55/24/170365524.db2.gz WYUROGVNFRRCGX-UHFFFAOYSA-N 0 0 275.461 4.582 40 0 CJABRN O=C(Nc1cc2c(s1)CCCC2)c1ccc(Cl)cc1 ZINC000009193875 170366329 /nfs/dbraw/zinc/36/63/29/170366329.db2.gz LQGIRUWFPYEBTP-UHFFFAOYSA-N 0 0 291.803 4.533 40 0 CJABRN Cc1ccccc1CSc1nnc(-c2ccccc2C)o1 ZINC000009198715 170366254 /nfs/dbraw/zinc/36/62/54/170366254.db2.gz ATWMOZJEYDEQQQ-UHFFFAOYSA-N 0 0 296.395 4.646 40 0 CJABRN Cc1ccc2c(c1)[C@@H]1OCCC[C@H]1[C@H](c1ccc(F)cc1)N2 ZINC000009280389 170370079 /nfs/dbraw/zinc/37/00/79/170370079.db2.gz RTDJIICSCZKNFH-ZYSHUDEJSA-N 0 0 297.373 4.769 40 0 CJABRN Cc1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1ccc(F)cc1)N2 ZINC000009280391 170370131 /nfs/dbraw/zinc/37/01/31/170370131.db2.gz RTDJIICSCZKNFH-AYOQOUSVSA-N 0 0 297.373 4.769 40 0 CJABRN CC(C)Oc1ccccc1C(=O)Nc1ccccc1C(C)C ZINC000009695603 170384583 /nfs/dbraw/zinc/38/45/83/170384583.db2.gz WBMCELZYVNTKIY-UHFFFAOYSA-N 0 0 297.398 4.850 40 0 CJABRN CCCCc1ccc(NC(=O)Cc2ccc(C)c(C)c2)cc1 ZINC000010009818 170394888 /nfs/dbraw/zinc/39/48/88/170394888.db2.gz BYEDNAYHZOHURY-UHFFFAOYSA-N 0 0 295.426 4.827 40 0 CJABRN Cc1ccccc1C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000010111715 170397852 /nfs/dbraw/zinc/39/78/52/170397852.db2.gz HYXVNOJJMFOKCN-HNNXBMFYSA-N 0 0 295.426 4.784 40 0 CJABRN Cc1ccccc1C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000010111716 170397846 /nfs/dbraw/zinc/39/78/46/170397846.db2.gz HYXVNOJJMFOKCN-OAHLLOKOSA-N 0 0 295.426 4.784 40 0 CJABRN C[C@H](NC(=O)c1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 ZINC000010111727 170397823 /nfs/dbraw/zinc/39/78/23/170397823.db2.gz FHCFEYWEKHUEGJ-ZDUSSCGKSA-N 0 0 299.389 4.614 40 0 CJABRN C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 ZINC000010111728 170397676 /nfs/dbraw/zinc/39/76/76/170397676.db2.gz FHCFEYWEKHUEGJ-CYBMUJFWSA-N 0 0 299.389 4.614 40 0 CJABRN C[C@H](NC(=O)Nc1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000010111735 170397677 /nfs/dbraw/zinc/39/76/77/170397677.db2.gz WQVDUAWAWAZUAO-AWEZNQCLSA-N 0 0 296.414 4.867 40 0 CJABRN C[C@@H](NC(=O)Nc1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000010111736 170397837 /nfs/dbraw/zinc/39/78/37/170397837.db2.gz WQVDUAWAWAZUAO-CQSZACIVSA-N 0 0 296.414 4.867 40 0 CJABRN Cc1cccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 ZINC000010111777 567940005 /nfs/dbraw/zinc/94/00/05/567940005.db2.gz ZDXUEVXCXPTRLH-HNNXBMFYSA-N 0 0 295.426 4.784 40 0 CJABRN Cc1cccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 ZINC000010111778 567939547 /nfs/dbraw/zinc/93/95/47/567939547.db2.gz ZDXUEVXCXPTRLH-OAHLLOKOSA-N 0 0 295.426 4.784 40 0 CJABRN C[C@H](NC(=O)c1cccs1)c1ccc(C(C)(C)C)cc1 ZINC000010111781 567939502 /nfs/dbraw/zinc/93/95/02/567939502.db2.gz 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567890750 /nfs/dbraw/zinc/89/07/50/567890750.db2.gz UHBQHNFLGAGXRW-UHFFFAOYSA-N 0 0 285.730 4.647 40 0 CJABRN Cc1cccc2cc(C(=O)Nc3cccc(Cl)c3)oc21 ZINC000041306648 567890690 /nfs/dbraw/zinc/89/06/90/567890690.db2.gz UBDISVVOYFLYQS-UHFFFAOYSA-N 0 0 285.730 4.647 40 0 CJABRN Cc1cccc2cc(C(=O)Nc3ccc(Cl)cc3)oc21 ZINC000041306652 567890829 /nfs/dbraw/zinc/89/08/29/567890829.db2.gz APVPLBSGPVDNSZ-UHFFFAOYSA-N 0 0 285.730 4.647 40 0 CJABRN Cc1ccc(NC(=O)c2cc3cccc(C)c3o2)c(C)c1 ZINC000041306670 174515763 /nfs/dbraw/zinc/51/57/63/174515763.db2.gz YBYDRTVMOHEXQM-UHFFFAOYSA-N 0 0 279.339 4.610 40 0 CJABRN Cc1ccc(C)c(NC(=O)c2cc3cccc(C)c3o2)c1 ZINC000041306674 567890780 /nfs/dbraw/zinc/89/07/80/567890780.db2.gz SSBDLZLISSNSAS-UHFFFAOYSA-N 0 0 279.339 4.610 40 0 CJABRN Cc1cccc2cc(C(=O)Nc3ccc(C)c(C)c3)oc21 ZINC000041306678 567891374 /nfs/dbraw/zinc/89/13/74/567891374.db2.gz UKNLZTACEHDLAD-UHFFFAOYSA-N 0 0 279.339 4.610 40 0 CJABRN Cc1cccc2cc(C(=O)Nc3ccc(C)c(Cl)c3)oc21 ZINC000041306771 567891117 /nfs/dbraw/zinc/89/11/17/567891117.db2.gz FXIFTPLMGRMKSP-UHFFFAOYSA-N 0 0 299.757 4.955 40 0 CJABRN Cc1cccc2cc(C(=O)Nc3c(C)cccc3C)oc21 ZINC000041306774 174515569 /nfs/dbraw/zinc/51/55/69/174515569.db2.gz LONSQMNJKNLXPN-UHFFFAOYSA-N 0 0 279.339 4.610 40 0 CJABRN Cc1cccc2cc(C(=O)Nc3cccc(Cl)c3C)oc21 ZINC000041306782 567891210 /nfs/dbraw/zinc/89/12/10/567891210.db2.gz MPPASMWMHQSKKQ-UHFFFAOYSA-N 0 0 299.757 4.955 40 0 CJABRN CCc1ccc(NC(=O)c2cc3cccc(C)c3o2)cc1 ZINC000041306797 567891379 /nfs/dbraw/zinc/89/13/79/567891379.db2.gz JLJZVTLEADWGAH-UHFFFAOYSA-N 0 0 279.339 4.556 40 0 CJABRN Cc1cccc2cc(C(=O)Nc3cc(Cl)ccc3C)oc21 ZINC000041306985 567891310 /nfs/dbraw/zinc/89/13/10/567891310.db2.gz XPSCPHRLVAWRFU-UHFFFAOYSA-N 0 0 299.757 4.955 40 0 CJABRN Cc1cccc2cc(C(=O)Nc3cccc(C)c3C)oc21 ZINC000041307001 174516091 /nfs/dbraw/zinc/51/60/91/174516091.db2.gz MXIDTVLXIBCEPJ-UHFFFAOYSA-N 0 0 279.339 4.610 40 0 CJABRN CC(C)c1ccc(-c2csc(Br)n2)cc1 ZINC000041438897 174553122 /nfs/dbraw/zinc/55/31/22/174553122.db2.gz OTQVGOQSOZQESK-UHFFFAOYSA-N 0 0 282.206 4.696 40 0 CJABRN CCCc1ccc(-c2csc(Br)n2)cc1 ZINC000041438898 174553098 /nfs/dbraw/zinc/55/30/98/174553098.db2.gz UTFLFXJKMJBLKC-UHFFFAOYSA-N 0 0 282.206 4.525 40 0 CJABRN CCCCc1ccc(-c2csc(Br)n2)cc1 ZINC000041485982 566964397 /nfs/dbraw/zinc/96/43/97/566964397.db2.gz FTXMCVRWUMXNIK-UHFFFAOYSA-N 0 0 296.233 4.915 40 0 CJABRN CC(C)Cc1ccc(-c2csc(Br)n2)cc1 ZINC000041485984 566963613 /nfs/dbraw/zinc/96/36/13/566963613.db2.gz KRPVJWMMISKZMM-UHFFFAOYSA-N 0 0 296.233 4.771 40 0 CJABRN Cc1cc2nc(-c3ccc(C(C)(C)C)cc3)oc2c(N)c1 ZINC000041569420 567891227 /nfs/dbraw/zinc/89/12/27/567891227.db2.gz BJMQYSNPCXROMT-UHFFFAOYSA-N 0 0 280.371 4.683 40 0 CJABRN FC(F)(F)c1cccc2c(Cl)c(Cl)cnc21 ZINC000041702361 570355911 /nfs/dbraw/zinc/35/59/11/570355911.db2.gz HXTXLHNNXODQOR-UHFFFAOYSA-N 0 0 266.049 4.560 40 0 CJABRN Clc1cc(Cl)c2c(Cl)c(Cl)cnc2c1 ZINC000041702461 174608427 /nfs/dbraw/zinc/60/84/27/174608427.db2.gz 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ZINC000044781877 175253372 /nfs/dbraw/zinc/25/33/72/175253372.db2.gz OQYWEESIQKLUNJ-UHFFFAOYSA-N 0 0 280.371 4.696 40 0 CJABRN CC[C@H](NC(=O)/C=C/c1ccc(C)cc1)c1ccc(C)cc1 ZINC000044884337 175270243 /nfs/dbraw/zinc/27/02/43/175270243.db2.gz DRIIBEXYJHFGIK-VUVZNRFTSA-N 0 0 293.410 4.584 40 0 CJABRN CC[C@@H](NC(=O)/C=C/c1ccc(C)cc1)c1ccc(C)cc1 ZINC000044884340 175270293 /nfs/dbraw/zinc/27/02/93/175270293.db2.gz DRIIBEXYJHFGIK-FIIODCPWSA-N 0 0 293.410 4.584 40 0 CJABRN CCCCCNC(=O)[C@@H](CC)Sc1ccc(Cl)cc1 ZINC000044885239 175270432 /nfs/dbraw/zinc/27/04/32/175270432.db2.gz SEEIVEGXEZDYPA-CQSZACIVSA-N 0 0 299.867 4.517 40 0 CJABRN CCCCCNC(=O)[C@H](CC)Sc1ccc(Cl)cc1 ZINC000044885242 175270677 /nfs/dbraw/zinc/27/06/77/175270677.db2.gz SEEIVEGXEZDYPA-AWEZNQCLSA-N 0 0 299.867 4.517 40 0 CJABRN Cc1cccc(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1 ZINC000044901175 175274687 /nfs/dbraw/zinc/27/46/87/175274687.db2.gz ITSHSNSVZFHSGL-OAHLLOKOSA-N 0 0 297.398 4.524 40 0 CJABRN Cc1cccc(NC(=O)[C@H](C)Oc2ccccc2C(C)C)c1 ZINC000044901176 175274438 /nfs/dbraw/zinc/27/44/38/175274438.db2.gz ITSHSNSVZFHSGL-HNNXBMFYSA-N 0 0 297.398 4.524 40 0 CJABRN Cc1ccc(C)c(CC(=O)Nc2ccc3ccccc3c2)c1 ZINC000044902068 175274593 /nfs/dbraw/zinc/27/45/93/175274593.db2.gz UFWWRSALQUTIPY-UHFFFAOYSA-N 0 0 289.378 4.638 40 0 CJABRN CCSc1ccccc1NC(=O)c1ccccc1Cl ZINC000044903280 175274746 /nfs/dbraw/zinc/27/47/46/175274746.db2.gz QIVDDFQEONJWMA-UHFFFAOYSA-N 0 0 291.803 4.704 40 0 CJABRN CC12N=NC(C)([C@H]3c4ccccc4[C@@H]31)[C@@H]1c3ccccc3[C@@H]12 ZINC000045027763 175293216 /nfs/dbraw/zinc/29/32/16/175293216.db2.gz CRIQNJGNFFEAIU-XULANKEXSA-N 0 0 286.378 4.745 40 0 CJABRN CC(C)(C)c1ccc(C(=O)c2cnc3ccccc3c2)cc1 ZINC000045028950 567043359 /nfs/dbraw/zinc/04/33/59/567043359.db2.gz AZUHVXQGYCYEMD-UHFFFAOYSA-N 0 0 289.378 4.763 40 0 CJABRN CCCCc1ccc(C(=O)c2cnc3ccccc3c2)cc1 ZINC000045028952 256786227 /nfs/dbraw/zinc/78/62/27/256786227.db2.gz DMNJCCUIJOKXKW-UHFFFAOYSA-N 0 0 289.378 4.808 40 0 CJABRN 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DJJIPZFZFMPGDS-UHFFFAOYSA-N 0 0 295.194 4.852 40 0 CJABRN Cc1cc(-c2nc3c(cccc3Cl)s2)ccc1N ZINC000045920773 175386729 /nfs/dbraw/zinc/38/67/29/175386729.db2.gz GSYPLJWFDOSLCF-UHFFFAOYSA-N 0 0 274.776 4.507 40 0 CJABRN Cc1c(N)cccc1-c1nc2c(cccc2Cl)s1 ZINC000045920785 175386686 /nfs/dbraw/zinc/38/66/86/175386686.db2.gz HITFXSHTEFIODO-UHFFFAOYSA-N 0 0 274.776 4.507 40 0 CJABRN Cc1ccc(-c2nc3c(cccc3Cl)s2)cc1N ZINC000045920788 175386655 /nfs/dbraw/zinc/38/66/55/175386655.db2.gz JLIMGWIZBQWTAA-UHFFFAOYSA-N 0 0 274.776 4.507 40 0 CJABRN Nc1ccc(Cl)c(-c2nc3c(cccc3Cl)s2)c1 ZINC000045920797 175386653 /nfs/dbraw/zinc/38/66/53/175386653.db2.gz BUFRKWCOXRHVNQ-UHFFFAOYSA-N 0 0 295.194 4.852 40 0 CJABRN Nc1cc(-c2nc3c(cccc3Cl)s2)ccc1Cl ZINC000045920800 175386501 /nfs/dbraw/zinc/38/65/01/175386501.db2.gz NZRDNVLHCDTQRU-UHFFFAOYSA-N 0 0 295.194 4.852 40 0 CJABRN Cc1ccccc1-c1nc2c(cccc2Cl)s1 ZINC000045920846 175386713 /nfs/dbraw/zinc/38/67/13/175386713.db2.gz YZQBWSGRRQGQSZ-UHFFFAOYSA-N 0 0 259.761 4.925 40 0 CJABRN Cc1cccc(-c2nc3c(cccc3Cl)s2)c1 ZINC000045920849 175386578 /nfs/dbraw/zinc/38/65/78/175386578.db2.gz FCVADOJKGGIRFI-UHFFFAOYSA-N 0 0 259.761 4.925 40 0 CJABRN Cc1ccc(-c2nc3c(cccc3Cl)s2)cc1 ZINC000045920852 175386610 /nfs/dbraw/zinc/38/66/10/175386610.db2.gz AUTLTEAKWMDDHL-UHFFFAOYSA-N 0 0 259.761 4.925 40 0 CJABRN COc1cccc(-c2nc3c(cccc3Cl)s2)c1 ZINC000045920878 175386564 /nfs/dbraw/zinc/38/65/64/175386564.db2.gz RAZOMLOKXQQCRN-UHFFFAOYSA-N 0 0 275.760 4.625 40 0 CJABRN COc1ccc(-c2nc3c(cccc3Cl)s2)cc1 ZINC000045920881 175386557 /nfs/dbraw/zinc/38/65/57/175386557.db2.gz WXVVPZUPCKOBJV-UHFFFAOYSA-N 0 0 275.760 4.625 40 0 CJABRN Clc1cccc2sc(Cc3ccccc3)nc21 ZINC000045920905 175386638 /nfs/dbraw/zinc/38/66/38/175386638.db2.gz OXMXMECSAPPVNW-UHFFFAOYSA-N 0 0 259.761 4.541 40 0 CJABRN Fc1ccccc1-c1nc2c(cccc2Cl)s1 ZINC000045920911 175386717 /nfs/dbraw/zinc/38/67/17/175386717.db2.gz VILJXNFZDVNKCA-UHFFFAOYSA-N 0 0 263.724 4.756 40 0 CJABRN Fc1cccc(-c2nc3c(cccc3Cl)s2)c1 ZINC000045920925 175386581 /nfs/dbraw/zinc/38/65/81/175386581.db2.gz LBGWMSRQBKFRQT-UHFFFAOYSA-N 0 0 263.724 4.756 40 0 CJABRN Fc1ccc(-c2nc3c(cccc3Cl)s2)cc1 ZINC000045920931 175386666 /nfs/dbraw/zinc/38/66/66/175386666.db2.gz UVBRXPXIHVKSEX-UHFFFAOYSA-N 0 0 263.724 4.756 40 0 CJABRN O=Cc1ccc(-c2nc3ccc(F)cc3s2)cc1Cl ZINC000045923310 175386934 /nfs/dbraw/zinc/38/69/34/175386934.db2.gz BIHGMJRVNAPIRS-UHFFFAOYSA-N 0 0 291.734 4.568 40 0 CJABRN Cc1ccc2nc(-c3ccc(N)c(Cl)c3)sc2c1 ZINC000045923348 175386906 /nfs/dbraw/zinc/38/69/06/175386906.db2.gz QVMFGMXZQHCYNY-UHFFFAOYSA-N 0 0 274.776 4.507 40 0 CJABRN Cc1ccc2nc(-c3ccc(Cl)c(N)c3)sc2c1 ZINC000045923373 175387010 /nfs/dbraw/zinc/38/70/10/175387010.db2.gz QKJRBLZFILHWOD-UHFFFAOYSA-N 0 0 274.776 4.507 40 0 CJABRN Cc1ccc2nc(-c3cc(N)ccc3Cl)sc2c1 ZINC000045923377 175387048 /nfs/dbraw/zinc/38/70/48/175387048.db2.gz PYPXZUVOYQSUKD-UHFFFAOYSA-N 0 0 274.776 4.507 40 0 CJABRN Cc1ccc2nc(-c3cc(Cl)ccc3N)sc2c1 ZINC000045923413 175387075 /nfs/dbraw/zinc/38/70/75/175387075.db2.gz UBAQWGGUFVDOKB-UHFFFAOYSA-N 0 0 274.776 4.507 40 0 CJABRN Cc1ccc2nc(-c3ccccc3Cl)sc2c1 ZINC000045923426 175386978 /nfs/dbraw/zinc/38/69/78/175386978.db2.gz OQIHQYTTZGPLKA-UHFFFAOYSA-N 0 0 259.761 4.925 40 0 CJABRN Cc1ccc2nc(-c3cccc(Cl)c3)sc2c1 ZINC000045923444 175387006 /nfs/dbraw/zinc/38/70/06/175387006.db2.gz OQPQGQBPMPPBIG-UHFFFAOYSA-N 0 0 259.761 4.925 40 0 CJABRN CCc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000045923455 175386932 /nfs/dbraw/zinc/38/69/32/175386932.db2.gz FSPGDVRAIZVDSG-UHFFFAOYSA-N 0 0 253.370 4.834 40 0 CJABRN Cc1ccc2nc(-c3ccc(Cl)cc3)sc2c1 ZINC000045923470 175386993 /nfs/dbraw/zinc/38/69/93/175386993.db2.gz DZZBUWDFRJYUOL-UHFFFAOYSA-N 0 0 259.761 4.925 40 0 CJABRN COc1ccc(-c2nc3ccc(C)cc3s2)cc1Cl ZINC000045923476 175387032 /nfs/dbraw/zinc/38/70/32/175387032.db2.gz NEGAHQVLOZZYJS-UHFFFAOYSA-N 0 0 289.787 4.934 40 0 CJABRN Cc1ccc2nc(-c3ccc(C)c(C)c3)sc2c1 ZINC000045923521 175387041 /nfs/dbraw/zinc/38/70/41/175387041.db2.gz NMNMLXOZSURZFV-UHFFFAOYSA-N 0 0 253.370 4.889 40 0 CJABRN Cc1ccc2nc(Cc3ccc(Cl)cc3)sc2c1 ZINC000045923527 175386902 /nfs/dbraw/zinc/38/69/02/175386902.db2.gz HUCZFHMTFYPVGP-UHFFFAOYSA-N 0 0 273.788 4.849 40 0 CJABRN Cc1cccc2sc(-c3ccc(Cl)c(N)c3)nc21 ZINC000045946659 175388183 /nfs/dbraw/zinc/38/81/83/175388183.db2.gz HNVQPOBBXMEUEZ-UHFFFAOYSA-N 0 0 274.776 4.507 40 0 CJABRN Cc1cccc2sc(-c3cc(N)ccc3Cl)nc21 ZINC000045946662 175388015 /nfs/dbraw/zinc/38/80/15/175388015.db2.gz UKSJBRZJHZDOEB-UHFFFAOYSA-N 0 0 274.776 4.507 40 0 CJABRN Cc1cccc2sc(-c3ccc(N)c(Cl)c3)nc21 ZINC000045946670 175388177 /nfs/dbraw/zinc/38/81/77/175388177.db2.gz QBVKOFOJUMKGCW-UHFFFAOYSA-N 0 0 274.776 4.507 40 0 CJABRN Cc1cccc2sc(-c3ccc(Cl)cc3)nc21 ZINC000045946728 175387743 /nfs/dbraw/zinc/38/77/43/175387743.db2.gz XLZLNDMPCIPLGT-UHFFFAOYSA-N 0 0 259.761 4.925 40 0 CJABRN Cc1cccc2sc(-c3ccccc3Cl)nc21 ZINC000045946740 175388005 /nfs/dbraw/zinc/38/80/05/175388005.db2.gz VXJXDUJZAHNZDV-UHFFFAOYSA-N 0 0 259.761 4.925 40 0 CJABRN Cc1cccc2sc(-c3cccc(Cl)c3)nc21 ZINC000045946751 175388215 /nfs/dbraw/zinc/38/82/15/175388215.db2.gz MKZFKHJDTKOHHQ-UHFFFAOYSA-N 0 0 259.761 4.925 40 0 CJABRN CCc1ccc(-c2nc3c(cccc3C)s2)cc1 ZINC000045946761 175387999 /nfs/dbraw/zinc/38/79/99/175387999.db2.gz REVKOCHDLNSTLG-UHFFFAOYSA-N 0 0 253.370 4.834 40 0 CJABRN CC(C)c1ccc2oc(-c3ccc(N)c(Cl)c3)nc2c1 ZINC000045954137 175389211 /nfs/dbraw/zinc/38/92/11/175389211.db2.gz UVYAFGAJJJYUSE-UHFFFAOYSA-N 0 0 286.762 4.854 40 0 CJABRN Nc1ccc(-c2nc3c(ccc4ccccc34)o2)cc1Cl ZINC000045954159 175389024 /nfs/dbraw/zinc/38/90/24/175389024.db2.gz JPQYQIRZEULNCK-UHFFFAOYSA-N 0 0 294.741 4.884 40 0 CJABRN Cc1cccc(C(C)C)c1NC(=O)NC1CCCCC1 ZINC000046705175 175398434 /nfs/dbraw/zinc/39/84/34/175398434.db2.gz BDMJCSMZAZFWCE-UHFFFAOYSA-N 0 0 274.408 4.573 40 0 CJABRN Cc1ccc(C)c(NC(=S)N[C@@H](C)c2ccccc2C)c1 ZINC000047808854 175413764 /nfs/dbraw/zinc/41/37/64/175413764.db2.gz ZEVMEXRYDKNBGZ-HNNXBMFYSA-N 0 0 298.455 4.659 40 0 CJABRN Cc1ccc(C)c(NC(=S)N[C@H](C)c2ccccc2C)c1 ZINC000047808856 570237861 /nfs/dbraw/zinc/23/78/61/570237861.db2.gz ZEVMEXRYDKNBGZ-OAHLLOKOSA-N 0 0 298.455 4.659 40 0 CJABRN Cc1ccc([C@@H](C)NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000048507323 567892861 /nfs/dbraw/zinc/89/28/61/567892861.db2.gz BGFDGALCXJWJKG-GFCCVEGCSA-N 0 0 288.778 4.531 40 0 CJABRN Cc1ccc([C@H](C)NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000048507326 567892737 /nfs/dbraw/zinc/89/27/37/567892737.db2.gz BGFDGALCXJWJKG-LBPRGKRZSA-N 0 0 288.778 4.531 40 0 CJABRN Fc1ccc(NCc2c[nH]c3ccccc23)cc1Cl ZINC000048727952 567924129 /nfs/dbraw/zinc/92/41/29/567924129.db2.gz ULKWGMNLWVDKGM-UHFFFAOYSA-N 0 0 274.726 4.573 40 0 CJABRN CCSc1ccccc1NC(=O)c1ccc(C)c(C)c1 ZINC000048803814 175449480 /nfs/dbraw/zinc/44/94/80/175449480.db2.gz JOJNAKAEBQYXDZ-UHFFFAOYSA-N 0 0 285.412 4.668 40 0 CJABRN O=C(CCCCc1ccc2ccccc2c1)C(F)(F)F ZINC000049114263 566971681 /nfs/dbraw/zinc/97/16/81/566971681.db2.gz VCWWTQMRNJSJGC-UHFFFAOYSA-N 0 0 280.289 4.684 40 0 in-vivo CJABRN O=C(CCNc1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000049895749 327298592 /nfs/dbraw/zinc/29/85/92/327298592.db2.gz FZOLZZJLKMDVPR-UHFFFAOYSA-N 0 0 294.181 4.678 40 0 CJABRN Cc1sc(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000054362798 567945927 /nfs/dbraw/zinc/94/59/27/567945927.db2.gz KYQVICKOBKXNFC-UHFFFAOYSA-N 0 0 269.344 4.925 40 0 CJABRN CC(C)(C)c1cc(N)c2c(N)cc(C(C)(C)C)cc2c1 ZINC000055168781 175573140 /nfs/dbraw/zinc/57/31/40/175573140.db2.gz QNHNREPBVMWLMB-UHFFFAOYSA-N 0 0 270.420 4.599 40 0 CJABRN CCSc1ccccc1NC(=O)c1cc2ccccc2o1 ZINC000055703698 567894439 /nfs/dbraw/zinc/89/44/39/567894439.db2.gz GXIBFZSADHSSER-UHFFFAOYSA-N 0 0 297.379 4.797 40 0 CJABRN CCSc1ccccc1NC(=O)c1cc(C)ccc1C ZINC000055703746 567894706 /nfs/dbraw/zinc/89/47/06/567894706.db2.gz WWEPGLREWRMLBL-UHFFFAOYSA-N 0 0 285.412 4.668 40 0 CJABRN CCSc1ccccc1NC(=O)c1ccc(C)cc1C ZINC000055703823 567894624 /nfs/dbraw/zinc/89/46/24/567894624.db2.gz XLILHXMNVHWKQJ-UHFFFAOYSA-N 0 0 285.412 4.668 40 0 CJABRN Fc1ccc(-c2nc3ccccc3s2)cc1Cl ZINC000057351560 175593529 /nfs/dbraw/zinc/59/35/29/175593529.db2.gz CHXOZUDGWJNBTH-UHFFFAOYSA-N 0 0 263.724 4.756 40 0 CJABRN CCc1ccc2oc(-c3ccc(F)c(Cl)c3)nc2c1 ZINC000057351584 566979752 /nfs/dbraw/zinc/97/97/52/566979752.db2.gz YPAKJLDTVSZMNS-UHFFFAOYSA-N 0 0 275.710 4.850 40 0 CJABRN Cc1ccc2oc(-c3ccc(F)c(Cl)c3)nc2c1 ZINC000057351587 566979930 /nfs/dbraw/zinc/97/99/30/566979930.db2.gz YYFZAQAJRQKFOY-UHFFFAOYSA-N 0 0 261.683 4.596 40 0 CJABRN Cc1cc2nc(-c3ccc(F)c(Cl)c3)oc2c(C)c1 ZINC000057351589 566979713 /nfs/dbraw/zinc/97/97/13/566979713.db2.gz VGGPADKPSGLUBS-UHFFFAOYSA-N 0 0 275.710 4.904 40 0 CJABRN Cc1cc2nc(-c3ccc(F)c(Cl)c3)oc2cc1C ZINC000057351593 175593497 /nfs/dbraw/zinc/59/34/97/175593497.db2.gz CVSJAZKGUVZILO-UHFFFAOYSA-N 0 0 275.710 4.904 40 0 CJABRN Cc1ccc2nc(-c3ccc(F)c(Cl)c3)oc2c1 ZINC000057351595 175593459 /nfs/dbraw/zinc/59/34/59/175593459.db2.gz ASTYUDUUUWWFSZ-UHFFFAOYSA-N 0 0 261.683 4.596 40 0 CJABRN Fc1ccc(-c2nc3cc(Cl)ccc3o2)cc1Cl ZINC000057351617 566978610 /nfs/dbraw/zinc/97/86/10/566978610.db2.gz JTZANWJPEIYRGQ-UHFFFAOYSA-N 0 0 282.101 4.941 40 0 CJABRN Cc1nc2cc(-c3cccc4ccccc43)ccc2[nH]1 ZINC000057469796 567948353 /nfs/dbraw/zinc/94/83/53/567948353.db2.gz FBSSVVPDMYCEEP-UHFFFAOYSA-N 0 0 258.324 4.692 40 0 CJABRN O=C(CCc1ccccc1Cl)NC1CCCCCCC1 ZINC000058110086 567895271 /nfs/dbraw/zinc/89/52/71/567895271.db2.gz VNTYQVWTPXAZLH-UHFFFAOYSA-N 0 0 293.838 4.502 40 0 CJABRN c1ccc2cc(SCc3cccnc3)ccc2c1 ZINC000058656370 567085444 /nfs/dbraw/zinc/08/54/44/567085444.db2.gz FLHVYGYJKSPOIY-UHFFFAOYSA-N 0 0 251.354 4.527 40 0 CJABRN Fc1ccccc1CSc1ccc(Cl)cc1 ZINC000058835189 567823240 /nfs/dbraw/zinc/82/32/40/567823240.db2.gz DRGPYGZNRYGJPT-UHFFFAOYSA-N 0 0 252.741 4.771 40 0 CJABRN Fc1ccc(SCc2ccccc2Cl)cc1 ZINC000058837557 567823342 /nfs/dbraw/zinc/82/33/42/567823342.db2.gz ZUHUZKANAXBJNU-UHFFFAOYSA-N 0 0 252.741 4.771 40 0 CJABRN Fc1ccc(SCc2cccc(Cl)c2)cc1 ZINC000058837562 567823346 /nfs/dbraw/zinc/82/33/46/567823346.db2.gz WSSICEKRWXLAIM-UHFFFAOYSA-N 0 0 252.741 4.771 40 0 CJABRN COc1ccc(SCc2ccc(Cl)cc2)cc1 ZINC000058932492 567896231 /nfs/dbraw/zinc/89/62/31/567896231.db2.gz CYFGUSYXAYKGHK-UHFFFAOYSA-N 0 0 264.777 4.641 40 0 CJABRN CCn1c2ccccc2nc1SCc1ccccc1C ZINC000059048848 567956095 /nfs/dbraw/zinc/95/60/95/567956095.db2.gz FVZFOJVPRNCZFJ-UHFFFAOYSA-N 0 0 282.412 4.657 40 0 CJABRN CCn1c2ccccc2nc1SCc1ccc(C)cc1 ZINC000059048851 567956258 /nfs/dbraw/zinc/95/62/58/567956258.db2.gz DBTDZLUXPPVDIW-UHFFFAOYSA-N 0 0 282.412 4.657 40 0 CJABRN c1ccc(C23[C@@H]4CC[C@@H]2[C@H]2CC[C@H]4C23c2ccccc2)cc1 ZINC000059159928 262386899 /nfs/dbraw/zinc/38/68/99/262386899.db2.gz KTOWSWYNZBSDNI-ZHEILYIOSA-N 0 0 286.418 4.942 40 0 CJABRN CC(C)(C)CC(C)(C)NC(=O)/C=C/c1ccccc1Cl ZINC000059240313 567896504 /nfs/dbraw/zinc/89/65/04/567896504.db2.gz CRZFNBARLJRUGI-ZHACJKMWSA-N 0 0 293.838 4.684 40 0 CJABRN CC(C)(C)CC(C)(C)NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000059240856 567896163 /nfs/dbraw/zinc/89/61/63/567896163.db2.gz IMEIGDPJUJKVBD-DHZHZOJOSA-N 0 0 293.838 4.684 40 0 CJABRN CC(C)(C)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000059241727 175631162 /nfs/dbraw/zinc/63/11/62/175631162.db2.gz QBQIYQSAQYDOLH-UHFFFAOYSA-N 0 0 285.412 4.822 40 0 CJABRN CCCC[C@@H](CC)CNC(=O)CCSc1ccccc1 ZINC000059244609 567896465 /nfs/dbraw/zinc/89/64/65/567896465.db2.gz PATABGKMDAMSJQ-OAHLLOKOSA-N 0 0 293.476 4.501 40 0 CJABRN CCCC[C@H](CC)CNC(=O)CCSc1ccccc1 ZINC000059244610 567896219 /nfs/dbraw/zinc/89/62/19/567896219.db2.gz PATABGKMDAMSJQ-HNNXBMFYSA-N 0 0 293.476 4.501 40 0 CJABRN Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(C(C)C)cc1 ZINC000059267349 567896222 /nfs/dbraw/zinc/89/62/22/567896222.db2.gz NMGLATDWTCJYKD-HNNXBMFYSA-N 0 0 297.398 4.524 40 0 CJABRN Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(C(C)C)cc1 ZINC000059267350 175631383 /nfs/dbraw/zinc/63/13/83/175631383.db2.gz NMGLATDWTCJYKD-OAHLLOKOSA-N 0 0 297.398 4.524 40 0 CJABRN CCSc1ccccc1C(=O)NC1CCCCCCC1 ZINC000059290170 567956261 /nfs/dbraw/zinc/95/62/61/567956261.db2.gz LYIFWRFJMHNZHW-UHFFFAOYSA-N 0 0 291.460 4.641 40 0 CJABRN 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ZINC000225650796 567954270 /nfs/dbraw/zinc/95/42/70/567954270.db2.gz IENOGTVIRYMYQQ-KRWDZBQOSA-N 0 0 295.426 4.720 40 0 CJABRN Cc1cc(C)c(C(=O)Nc2ccccc2OC(C)C)cc1C ZINC000225651579 567954861 /nfs/dbraw/zinc/95/48/61/567954861.db2.gz ZNUZGHGLLYUVGL-UHFFFAOYSA-N 0 0 297.398 4.651 40 0 CJABRN CC[C@@H](NC(=O)c1cc(C)c(C)cc1C)c1ccccc1C ZINC000225651786 189761147 /nfs/dbraw/zinc/76/11/47/189761147.db2.gz RBDGVLYDXVHPAR-LJQANCHMSA-N 0 0 295.426 4.801 40 0 CJABRN CC[C@H](NC(=O)c1cc(C)c(C)cc1C)c1ccccc1C ZINC000225651809 567954616 /nfs/dbraw/zinc/95/46/16/567954616.db2.gz RBDGVLYDXVHPAR-IBGZPJMESA-N 0 0 295.426 4.801 40 0 CJABRN CCc1ccc([C@@H](C)NC(=O)c2cc(C)c(C)cc2C)cc1 ZINC000225653612 567954735 /nfs/dbraw/zinc/95/47/35/567954735.db2.gz KXOAEAWAEFQFGK-MRXNPFEDSA-N 0 0 295.426 4.665 40 0 CJABRN CCc1ccc([C@H](C)NC(=O)c2cc(C)c(C)cc2C)cc1 ZINC000225653641 567954585 /nfs/dbraw/zinc/95/45/85/567954585.db2.gz KXOAEAWAEFQFGK-INIZCTEOSA-N 0 0 295.426 4.665 40 0 CJABRN COc1cc(C)c(C(=O)Nc2ccccc2C)cc1C(C)C 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