smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C ZINC000000003665 563967104 /nfs/dbraw/zinc/96/71/04/563967104.db2.gz MAVJDLHBPIXVJL-UHFFFAOYSA-N 0 0 334.419 5.278 10 0 investigational EKAERN Cc1ccc2oc(N[C@@H](CC3CCCCC3)c3ccccn3)nc2c1 ZINC000000005761 201357930 /nfs/dbraw/zinc/35/79/30/201357930.db2.gz RVXKHAITGKBBAC-SFHVURJKSA-N 0 0 335.451 5.655 10 0 in-man EKAERN Cc1ccccc1Nc1nc2ccccc2c(Nc2ccccc2)n1 ZINC000000010228 201424025 /nfs/dbraw/zinc/42/40/25/201424025.db2.gz TYJCBFXVIVLSKL-UHFFFAOYSA-N 0 0 326.403 5.425 10 0 EKAERN S=C(c1ccc(Cl)c(Cl)c1)N1CCCC(c2ccccc2)=N1 ZINC000000018025 581101640 /nfs/dbraw/zinc/10/16/40/581101640.db2.gz RFLBIXTXWXYDTK-UHFFFAOYSA-N 0 0 349.286 5.169 10 0 EKAERN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(F)c2ccccc12 ZINC000000050748 201426637 /nfs/dbraw/zinc/42/66/37/201426637.db2.gz VBNSCIMOMXICFM-UHFFFAOYSA-N 0 0 334.177 5.538 10 0 EKAERN O=C1/C(=C/c2ccccc2Cl)CC/C1=C/c1ccccc1Cl ZINC000000067736 209398060 /nfs/dbraw/zinc/39/80/60/209398060.db2.gz RHVDVNSBPYATIJ-UKVBVZPVSA-N 0 0 329.226 5.823 10 0 EKAERN FC(F)(F)c1ccc(-c2noc(-c3sccc3Cl)n2)cc1 ZINC000000082074 209407093 /nfs/dbraw/zinc/40/70/93/209407093.db2.gz PDJHJNIKXHBBMQ-UHFFFAOYSA-N 0 0 330.718 5.137 10 0 EKAERN Cc1csc(=Nc2cc(C(F)(F)F)ccc2Cl)n1C(C)(C)C ZINC000000089982 563221789 /nfs/dbraw/zinc/22/17/89/563221789.db2.gz YTGVUABPCKZYQI-UHFFFAOYSA-O 0 0 349.829 5.515 10 0 EKAERN Cc1ccc(C)c(-c2[nH]c(-c3ccc(O)cc3)nc2-c2ccccc2)c1 ZINC000000091261 563222494 /nfs/dbraw/zinc/22/24/94/563222494.db2.gz BLCCQHAQXZNRBV-UHFFFAOYSA-N 0 0 340.426 5.733 10 0 EKAERN S=C1N=C2C(=Cc3cccs3)CCCC2[C@H](c2cccs2)N1 ZINC000000107890 209425528 /nfs/dbraw/zinc/42/55/28/209425528.db2.gz DFVOJYCFQPZRSP-SIFUEBAJSA-N 0 0 344.530 5.261 10 0 EKAERN S=C(N[C@@H]1C[C@H]2C=C[C@@H]1C2)NC1CCCCCCCCCCC1 ZINC000000117621 563232548 /nfs/dbraw/zinc/23/25/48/563232548.db2.gz PWSUGUCXRNRBFZ-YQVWRLOYSA-N 0 0 334.573 5.088 10 0 EKAERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1N(Cc1ccccc1)C(=O)c1ccco1 ZINC000000160481 201441779 /nfs/dbraw/zinc/44/17/79/201441779.db2.gz HNNCIRYDHPLEAA-YZGWKJHDSA-N 0 0 339.479 5.383 10 0 EKAERN O=Cc1cc(Br)sc1Sc1ccc(Cl)cc1 ZINC000000161198 201442458 /nfs/dbraw/zinc/44/24/58/201442458.db2.gz ZPPJZFLJCLEZGZ-UHFFFAOYSA-N 0 0 333.659 5.128 10 0 EKAERN CC(C)[C@@H]1CC[C@H](C)C[C@H]1NC(=O)c1c(Cl)cccc1Cl ZINC000000162039 563248919 /nfs/dbraw/zinc/24/89/19/563248919.db2.gz SFTIRRHUYMDLOA-SLEUVZQESA-N 0 0 328.283 5.184 10 0 EKAERN CC(C)(C)c1csc(=Nc2ccc(F)c(Cl)c2)n1C(C)(C)C ZINC000000164161 209459547 /nfs/dbraw/zinc/45/95/47/209459547.db2.gz KBUHMZNMGWBPCN-UHFFFAOYSA-O 0 0 341.903 5.624 10 0 EKAERN CC(C)(C)c1ccc(C(=O)OCc2cc(Cl)nc(Cl)c2)cc1 ZINC000000165975 201443067 /nfs/dbraw/zinc/44/30/67/201443067.db2.gz IYPUYSDAPXFNDR-UHFFFAOYSA-N 0 0 338.234 5.043 10 0 EKAERN Cc1ccc(SCc2nccn2Cc2ccc(Cl)cc2)cc1 ZINC000000169837 563250814 /nfs/dbraw/zinc/25/08/14/563250814.db2.gz JTHFDGCUCRYFBZ-UHFFFAOYSA-N 0 0 328.868 5.186 10 0 EKAERN CCc1ccc(-c2csc(NC(=O)c3cccc(Cl)c3)n2)cc1 ZINC000000175427 209464986 /nfs/dbraw/zinc/46/49/86/209464986.db2.gz UWRWHUIFKNZHDR-UHFFFAOYSA-N 0 0 342.851 5.278 10 0 EKAERN O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cnc2ccccc2c1 ZINC000000191050 563988158 /nfs/dbraw/zinc/98/81/58/563988158.db2.gz KLWLNLDAWCMDOA-SOFGYWHQSA-N 0 0 343.213 5.194 10 0 EKAERN Cc1sc2ncnc(Nc3ccc(C)cc3Br)c2c1C ZINC000000215464 563988650 /nfs/dbraw/zinc/98/86/50/563988650.db2.gz UXCQPHCSINIJDV-UHFFFAOYSA-N 0 0 348.269 5.123 10 0 EKAERN Clc1ccccc1Nc1ncnc2scc(-c3ccccc3)c21 ZINC000000221367 209493491 /nfs/dbraw/zinc/49/34/91/209493491.db2.gz LLJCZPNHHIGDOG-UHFFFAOYSA-N 0 0 337.835 5.755 10 0 EKAERN Cc1cc2c(nc(C)nc2Nc2ccc(C)cc2Br)s1 ZINC000000224138 209495035 /nfs/dbraw/zinc/49/50/35/209495035.db2.gz XPFSMVILPSVBHM-UHFFFAOYSA-N 0 0 348.269 5.123 10 0 EKAERN Cc1cc2c(nc(C)nc2Nc2ccc(Oc3ccccc3)cc2)s1 ZINC000000224144 201451408 /nfs/dbraw/zinc/45/14/08/201451408.db2.gz ACJVOZSHIBDVAJ-UHFFFAOYSA-N 0 0 347.443 5.844 10 0 EKAERN Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1C ZINC000000276709 201455546 /nfs/dbraw/zinc/45/55/46/201455546.db2.gz NMQIVUKFRJVGNZ-UHFFFAOYSA-N 0 0 325.795 5.469 10 0 EKAERN Cc1ccc2nc(-c3cccs3)c(NC(C)(C)CC(C)(C)C)n2c1 ZINC000000320705 563991074 /nfs/dbraw/zinc/99/10/74/563991074.db2.gz KSMCCCSOXAVKRD-UHFFFAOYSA-N 0 0 341.524 5.998 10 0 EKAERN c1nc(Cc2ncc(-c3ccccc3)s2)sc1-c1ccccc1 ZINC000000328264 201460455 /nfs/dbraw/zinc/46/04/55/201460455.db2.gz YGIPXKWMOLDGKW-UHFFFAOYSA-N 0 0 334.469 5.524 10 0 EKAERN COc1cccc(NC(=O)c2cc3cc4ccc(C)cc4nc3s2)c1 ZINC000000428301 201471246 /nfs/dbraw/zinc/47/12/46/201471246.db2.gz TVKNXEAMNUJKQJ-UHFFFAOYSA-N 0 0 348.427 5.019 10 0 EKAERN CC[C@H]1CCCCN1C(=O)c1cc2cc3ccc(C)cc3nc2s1 ZINC000000428308 563998898 /nfs/dbraw/zinc/99/88/98/563998898.db2.gz VKJVGBAVRBYILY-INIZCTEOSA-N 0 0 338.476 5.163 10 0 EKAERN CC[C@@H]1CCCCN1C(=O)c1cc2cc3ccc(C)cc3nc2s1 ZINC000000428309 201471983 /nfs/dbraw/zinc/47/19/83/201471983.db2.gz VKJVGBAVRBYILY-MRXNPFEDSA-N 0 0 338.476 5.163 10 0 EKAERN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1Cl ZINC000000492093 209634413 /nfs/dbraw/zinc/63/44/13/209634413.db2.gz BGBMOUWTXNNZMN-VIFPVBQESA-N 0 0 344.625 5.053 10 0 EKAERN CC(C)c1ccccc1OC(=O)c1sc2ccccc2c1Cl ZINC000000505045 201481604 /nfs/dbraw/zinc/48/16/04/201481604.db2.gz BPMITNMIALOVLR-UHFFFAOYSA-N 0 0 330.836 5.897 10 0 EKAERN CC(C)CCn1c2ccccc2nc1Nc1cccc2ccccc21 ZINC000000513981 201481681 /nfs/dbraw/zinc/48/16/81/201481681.db2.gz DTGZAJVTOIUZKY-UHFFFAOYSA-N 0 0 329.447 5.979 10 0 EKAERN Cc1cc(NC(=O)c2ccc(C(C)C)cc2)ccc1Br ZINC000000514194 206239155 /nfs/dbraw/zinc/23/91/55/206239155.db2.gz LRVORQZRKJOASK-UHFFFAOYSA-N 0 0 332.241 5.133 10 0 EKAERN CCc1ccc(CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)o1 ZINC000000533665 201484809 /nfs/dbraw/zinc/48/48/09/201484809.db2.gz JRMDXXWOHAAOQU-UHFFFAOYSA-N 0 0 345.748 5.086 10 0 EKAERN O=C(/C=C/c1ccccc1Cl)Nc1ccc(Cl)cc1Cl ZINC000000579380 209671612 /nfs/dbraw/zinc/67/16/12/209671612.db2.gz LJMQUEMQQWDNQV-VMPITWQZSA-N 0 0 326.610 5.299 10 0 EKAERN Cc1ccc(Nc2nc(C)nc3sc4c(c32)CCC4)cc1Cl ZINC000000753804 209685102 /nfs/dbraw/zinc/68/51/02/209685102.db2.gz LUNQEZVZQUWBGF-UHFFFAOYSA-N 0 0 329.856 5.194 10 0 EKAERN Fc1ccc(Nc2ncnc3sc4c(c32)CCCC4)cc1Cl ZINC000000755366 201492070 /nfs/dbraw/zinc/49/20/70/201492070.db2.gz FMHIYAGUZGTJDC-UHFFFAOYSA-N 0 0 333.819 5.106 10 0 EKAERN Fc1ccccc1Nc1nc2ccccc2nc1Nc1ccccc1F ZINC000001030852 564054203 /nfs/dbraw/zinc/05/42/03/564054203.db2.gz JUTSZOLHKRPJOK-UHFFFAOYSA-N 0 0 348.356 5.395 10 0 EKAERN CCN(Cc1ccccc1)C(=O)/C(=C\c1ccccc1)c1ccccc1 ZINC000001130307 209713824 /nfs/dbraw/zinc/71/38/24/209713824.db2.gz QAZHJGFZXQVWBN-NKFKGCMQSA-N 0 0 341.454 5.276 10 0 EKAERN CC(C)c1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000001284129 209722795 /nfs/dbraw/zinc/72/27/95/209722795.db2.gz XQYNYLINTYHDLA-UHFFFAOYSA-N 0 0 345.442 5.641 10 0 EKAERN Cc1ccc(OC(=O)c2ccc(C(C)C)cc2)c(Br)c1 ZINC000001284226 209722044 /nfs/dbraw/zinc/72/20/44/209722044.db2.gz FAJBAFJHBYQRGT-UHFFFAOYSA-N 0 0 333.225 5.100 10 0 EKAERN Cc1cc(Br)cc(C)c1OC(=O)c1ccc(C(C)C)cc1 ZINC000001284242 209722734 /nfs/dbraw/zinc/72/27/34/209722734.db2.gz BCZCHFAGIGFBQO-UHFFFAOYSA-N 0 0 347.252 5.409 10 0 EKAERN Clc1ccc(-c2cn3cc(Br)ccc3n2)c(Cl)c1 ZINC000001291504 209723654 /nfs/dbraw/zinc/72/36/54/209723654.db2.gz ZCPKKKVWNMZTCM-UHFFFAOYSA-N 0 0 342.023 5.071 10 0 EKAERN CC(=O)c1ccccc1NC=CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000001394717 518466222 /nfs/dbraw/zinc/46/62/22/518466222.db2.gz FSOUNGUVRXZSSD-NXVVXOECSA-N 0 0 341.410 5.365 10 0 EKAERN CC[C@@H](C)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21 ZINC000001473092 209753891 /nfs/dbraw/zinc/75/38/91/209753891.db2.gz RFSAZZOAQRINLY-CQSZACIVSA-N 0 0 328.843 5.315 10 0 EKAERN CC[C@H](C)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21 ZINC000001473093 209753149 /nfs/dbraw/zinc/75/31/49/209753149.db2.gz RFSAZZOAQRINLY-AWEZNQCLSA-N 0 0 328.843 5.315 10 0 EKAERN CC[C@H](C)Cn1c(COc2ccc3ccccc3c2)nc2ccccc21 ZINC000001473103 209753862 /nfs/dbraw/zinc/75/38/62/209753862.db2.gz ULUGMUZTLAVRKS-KRWDZBQOSA-N 0 0 344.458 5.815 10 0 EKAERN c1sc(Cc2nc(-c3ccccc3)cs2)nc1-c1ccccc1 ZINC000001514567 564075210 /nfs/dbraw/zinc/07/52/10/564075210.db2.gz HJPKMEJQIHKOBK-UHFFFAOYSA-N 0 0 334.469 5.524 10 0 EKAERN CC(C)=CCC/C(=C/CC/C(C)=C/Cc1cc(O)ccc1O)CO ZINC000001531970 291014759 /nfs/dbraw/zinc/01/47/59/291014759.db2.gz SNVNUOWZKGGIRP-ASKQTUSVSA-N 0 0 330.468 5.032 10 0 biogenic,in-vitro EKAERN Clc1ccc(Oc2cc(Cl)c(Cl)cc2Cl)c(Cl)c1 ZINC000001532128 560181599 /nfs/dbraw/zinc/18/15/99/560181599.db2.gz AVURWLKSFZBANQ-UHFFFAOYSA-N 0 0 342.436 6.746 10 0 in-vitro EKAERN C/C(=C\Cc1cc(O)c(C)cc1O)CC/C=C(\C)Cc1cc(C)co1 ZINC000001567779 201055705 /nfs/dbraw/zinc/05/57/05/201055705.db2.gz ADYURFIGBFVBDI-ANSQBLEFSA-N 0 0 340.463 5.766 10 0 EKAERN COc1ccc(CCCN2c3ccccc3Sc3ccccc32)cc1 ZINC000001632348 135655754 /nfs/dbraw/zinc/65/57/54/135655754.db2.gz OYUUBIPNHSMIAJ-UHFFFAOYSA-N 0 0 347.483 5.931 10 0 EKAERN CC(C)=CCC[C@]1(C)C=Cc2c3[nH]c4cc(O)c(C)cc4c3ccc2O1 ZINC000001634344 564081899 /nfs/dbraw/zinc/08/18/99/564081899.db2.gz WWXYBSVWYPHUPZ-HSZRJFAPSA-N 0 0 347.458 6.246 10 0 endogenous,in-man EKAERN CC(C)=CCC[C@]1(C)C=Cc2c3[nH]c4cc(O)ccc4c3cc(C)c2O1 ZINC000001634347 564081907 /nfs/dbraw/zinc/08/19/07/564081907.db2.gz DWMBXHWBPZZCTN-HSZRJFAPSA-N 0 0 347.458 6.246 10 0 endogenous,in-man EKAERN C(=C/c1ccc(-n2nc3ccc4ccccc4c3n2)cc1)\c1ccccc1 ZINC000001763301 201359170 /nfs/dbraw/zinc/35/91/70/201359170.db2.gz JAONWSWNLZLNFS-ZHACJKMWSA-N 0 0 347.421 5.744 10 0 EKAERN CCCCOc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000001904213 209803577 /nfs/dbraw/zinc/80/35/77/209803577.db2.gz DYAOJTDKLCJSLN-AWNIVKPZSA-N 0 0 329.827 5.171 10 0 EKAERN CCCCC(=O)Nc1sc(C)c(-c2ccccc2)c1C(=O)OCC ZINC000001906302 209803831 /nfs/dbraw/zinc/80/38/31/209803831.db2.gz GQOPMQBIURRLPE-UHFFFAOYSA-N 0 0 345.464 5.029 10 0 EKAERN CCCCC(=O)Nc1scc(-c2ccc(C)cc2)c1C(=O)OCC ZINC000001906304 209803116 /nfs/dbraw/zinc/80/31/16/209803116.db2.gz QVJPDPGRMBGJGO-UHFFFAOYSA-N 0 0 345.464 5.029 10 0 EKAERN CCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000001935320 209806506 /nfs/dbraw/zinc/80/65/06/209806506.db2.gz QOXFIGYFLZLYGA-BJMVGYQFSA-N 0 0 336.218 5.044 10 0 EKAERN CC(C)c1ccc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1 ZINC000001937084 201522725 /nfs/dbraw/zinc/52/27/25/201522725.db2.gz BDXKOYKMMCWHOO-ONNFQVAWSA-N 0 0 334.246 5.769 10 0 EKAERN CCOc1ccccc1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000001937103 201522873 /nfs/dbraw/zinc/52/28/73/201522873.db2.gz VKZJUVWSYDIUEI-CSKARUKUSA-N 0 0 336.218 5.044 10 0 EKAERN O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1cccc(Cl)c1 ZINC000001937154 209806307 /nfs/dbraw/zinc/80/63/07/209806307.db2.gz OCDNAGKSTJDJJT-FNORWQNLSA-N 0 0 326.610 5.299 10 0 EKAERN Cc1sc(NC(=O)/C=C/c2ccc(C)cc2)nc1-c1ccc(C)cc1 ZINC000001937452 209806941 /nfs/dbraw/zinc/80/69/41/209806941.db2.gz QIURLTDOWINJBL-JLHYYAGUSA-N 0 0 348.471 5.387 10 0 EKAERN CC(C)c1ccc(NC(=O)/C=C/c2c(Cl)cccc2Cl)cc1 ZINC000001939775 201523496 /nfs/dbraw/zinc/52/34/96/201523496.db2.gz RAWQHDCTAZETNC-ZHACJKMWSA-N 0 0 334.246 5.769 10 0 EKAERN CCc1cccc(C)c1NC(=O)/C=C/c1c(Cl)cccc1Cl ZINC000001939779 201523378 /nfs/dbraw/zinc/52/33/78/201523378.db2.gz OHNKHAURYPATJY-ZHACJKMWSA-N 0 0 334.246 5.516 10 0 EKAERN O=C(/C=C/c1c(Cl)cccc1Cl)Nc1cccc(Cl)c1 ZINC000001939819 209807824 /nfs/dbraw/zinc/80/78/24/209807824.db2.gz NNJZIOWBMFNPCH-BQYQJAHWSA-N 0 0 326.610 5.299 10 0 EKAERN CC(C)c1ccc(/C=C/C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 ZINC000001939971 209808236 /nfs/dbraw/zinc/80/82/36/209808236.db2.gz VARREUQSLKLRLY-NTCAYCPXSA-N 0 0 349.518 6.709 10 0 EKAERN CC(C)c1cccc(C(C)C)c1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000001939974 201523544 /nfs/dbraw/zinc/52/35/44/201523544.db2.gz TZTVOOUOPWAKHW-JLHYYAGUSA-N 0 0 341.882 6.239 10 0 EKAERN Cc1ccc(NC(=O)/C=C/c2c(Cl)cccc2Cl)cc1Cl ZINC000001940388 209807481 /nfs/dbraw/zinc/80/74/81/209807481.db2.gz QDHUOGYULVQWKH-BQYQJAHWSA-N 0 0 340.637 5.607 10 0 EKAERN O=C(/C=C/c1cccc(Cl)c1)Nc1ccc(Cl)cc1Cl ZINC000001952322 209808347 /nfs/dbraw/zinc/80/83/47/209808347.db2.gz FDSKIFKYNOSHAA-QPJJXVBHSA-N 0 0 326.610 5.299 10 0 EKAERN CCCOc1ccc(/C=C/C(=O)Nc2cccc3ccccc32)cc1 ZINC000001965296 209809377 /nfs/dbraw/zinc/80/93/77/209809377.db2.gz DIDBGROBTHLTLJ-NTCAYCPXSA-N 0 0 331.415 5.281 10 0 EKAERN Brc1ccc2c(c1)Oc1ccc(Br)cc1O2 ZINC000002007577 206360328 /nfs/dbraw/zinc/36/03/28/206360328.db2.gz FPZRQZSGNKQNMF-UHFFFAOYSA-N 0 0 341.986 5.110 10 0 EKAERN C[C@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)C2CCCC2)CC(C)(C)C1 ZINC000002155370 563424433 /nfs/dbraw/zinc/42/44/33/563424433.db2.gz ABSSQTMYTFIBHO-VDGAXYAQSA-N 0 0 327.512 5.291 10 0 EKAERN Clc1cc2c(Cl)c(Cl)c(Cl)c(Cl)c2cc1Cl ZINC000002383342 262492394 /nfs/dbraw/zinc/49/23/94/262492394.db2.gz ZRNSVEOEIWQEMU-UHFFFAOYSA-N 0 0 334.844 6.760 10 0 EKAERN O=C1Nc2ccc(Oc3ccccc3)c3cccc(c23)[C@H]1C1CCCC1 ZINC000002454757 209852075 /nfs/dbraw/zinc/85/20/75/209852075.db2.gz QGVUEPXQGJMBLD-OAQYLSRUSA-N 0 0 343.426 5.858 10 0 EKAERN Fc1c(F)c(C(Cl)(Cl)Cl)c(Cl)cc1C(F)(F)F ZINC000002509674 563434932 /nfs/dbraw/zinc/43/49/32/563434932.db2.gz PEHVDMJTRUESJC-UHFFFAOYSA-N 0 0 333.898 5.464 10 0 EKAERN Clc1ccc(-c2cc(Cl)c(Cl)cc2Cl)cc1Cl ZINC000002521627 560187374 /nfs/dbraw/zinc/18/73/74/560187374.db2.gz IUTPYMGCWINGEY-UHFFFAOYSA-N 0 0 326.437 6.621 10 0 in-vitro EKAERN Oc1ccc(Cl)cc1-c1cc(Cl)c(Cl)c(Cl)c1Cl ZINC000002521634 560187349 /nfs/dbraw/zinc/18/73/49/560187349.db2.gz YIRXIYMPZUSPOV-UHFFFAOYSA-N 0 0 342.436 6.326 10 0 in-vitro EKAERN CCC(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000002540766 201535301 /nfs/dbraw/zinc/53/53/01/201535301.db2.gz AILHVGGPNJQTKG-UHFFFAOYSA-N 0 0 346.426 5.437 10 0 in-vitro EKAERN CC[C@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000002540767 206384827 /nfs/dbraw/zinc/38/48/27/206384827.db2.gz CXTQTYOWLRLXIL-NRFANRHFSA-N 0 0 348.442 5.288 10 0 in-vitro EKAERN C/C=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000002540793 563587224 /nfs/dbraw/zinc/58/72/24/563587224.db2.gz ZYJGQBTVYUCNAL-XNWCZRBMSA-N 0 0 330.427 5.878 10 0 in-vitro EKAERN O=C1/C(=C/c2cccc(Cl)c2)CCC/C1=C/c1cccc(Cl)c1 ZINC000002549084 209866087 /nfs/dbraw/zinc/86/60/87/209866087.db2.gz YLYVKSBWJVLOJI-VRNBXGKJSA-N 0 0 343.253 6.213 10 0 EKAERN FC(F)(F)Oc1ccc(Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000002555981 201534721 /nfs/dbraw/zinc/53/47/21/201534721.db2.gz JAVPIXBBOHUETK-UHFFFAOYSA-N 0 0 336.231 5.075 10 0 EKAERN Clc1cc2oc3cc(Cl)c(Cl)c(Cl)c3c2cc1Cl ZINC000002567229 563442246 /nfs/dbraw/zinc/44/22/46/563442246.db2.gz SBMIVUVRFPGOEB-UHFFFAOYSA-N 0 0 340.420 6.853 10 0 in-vitro EKAERN Clc1cc2oc3c(cc(Cl)c(Cl)c3Cl)c2cc1Cl ZINC000002567230 560188042 /nfs/dbraw/zinc/18/80/42/560188042.db2.gz OGBQILNBLMPPDP-UHFFFAOYSA-N 0 0 340.420 6.853 10 0 in-vitro EKAERN Clc1cccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c1 ZINC000002568306 560188001 /nfs/dbraw/zinc/18/80/01/560188001.db2.gz BQENMISTWGTJIJ-UHFFFAOYSA-N 0 0 326.437 6.621 10 0 in-vitro EKAERN Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2)c(Cl)c1 ZINC000002568309 560188040 /nfs/dbraw/zinc/18/80/40/560188040.db2.gz YAHNWSSFXMVPOU-UHFFFAOYSA-N 0 0 326.437 6.621 10 0 in-vitro EKAERN Clc1cc2oc3c(cc(Cl)c(Cl)c3Cl)c2c(Cl)c1 ZINC000002569968 209868926 /nfs/dbraw/zinc/86/89/26/209868926.db2.gz FRLMQDUYUJIHCZ-UHFFFAOYSA-N 0 0 340.420 6.853 10 0 EKAERN CCCC[C@@H](CC)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC000002574217 209870354 /nfs/dbraw/zinc/87/03/54/209870354.db2.gz NWTKQOOQEPXMMW-HUUCEWRRSA-N 0 0 326.864 5.175 10 0 EKAERN Brc1ccc(-c2ccc(-c3coc4ccccc43)cc2)cc1 ZINC000002579348 209869831 /nfs/dbraw/zinc/86/98/31/209869831.db2.gz ZEDLGGXJQYGQIY-UHFFFAOYSA-N 0 0 349.227 6.529 10 0 EKAERN Oc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc1Cl ZINC000002598135 560188341 /nfs/dbraw/zinc/18/83/41/560188341.db2.gz VQCLALDVRKEBBH-UHFFFAOYSA-N 0 0 342.436 6.326 10 0 in-vitro EKAERN Oc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1 ZINC000002598139 560188351 /nfs/dbraw/zinc/18/83/51/560188351.db2.gz OAQUWXNGKQXRIX-UHFFFAOYSA-N 0 0 342.436 6.326 10 0 in-vitro EKAERN Oc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl ZINC000002598140 209871259 /nfs/dbraw/zinc/87/12/59/209871259.db2.gz CGAILIYIKMFHPA-UHFFFAOYSA-N 0 0 342.436 6.326 10 0 in-vitro EKAERN Oc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1 ZINC000002598153 560188332 /nfs/dbraw/zinc/18/83/32/560188332.db2.gz OYJXPELCPNFWNN-UHFFFAOYSA-N 0 0 342.436 6.326 10 0 in-vitro EKAERN CCN(Cc1ccccc1)C(=O)c1ccccc1Oc1ccccc1 ZINC000002767781 201544185 /nfs/dbraw/zinc/54/41/85/201544185.db2.gz XDOPKAGPBWLYGW-UHFFFAOYSA-N 0 0 331.415 5.141 10 0 EKAERN O=C(NC1CCCC1)c1ccc(CSCc2ccc(Cl)cc2)o1 ZINC000003049309 209957552 /nfs/dbraw/zinc/95/75/52/209957552.db2.gz RHRSUUZIHMZRFA-UHFFFAOYSA-N 0 0 349.883 5.039 10 0 EKAERN Cc1ccc(NC(=O)c2ccccc2-c2nc3ccccc3[nH]2)c(C)c1 ZINC000003071847 201555992 /nfs/dbraw/zinc/55/59/92/201555992.db2.gz RXJMLOWYIVZGFI-UHFFFAOYSA-N 0 0 341.414 5.099 10 0 EKAERN O=C(/C=C/c1ccccc1Cl)Oc1ccc(Cl)c(Cl)c1 ZINC000003104058 201557070 /nfs/dbraw/zinc/55/70/70/201557070.db2.gz OZNZTPWATXFKDH-VMPITWQZSA-N 0 0 327.594 5.266 10 0 EKAERN CC(C)(C)c1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000003107262 201557402 /nfs/dbraw/zinc/55/74/02/201557402.db2.gz GAJBMTURIADMNU-UHFFFAOYSA-N 0 0 330.427 5.870 10 0 EKAERN Cc1c(C)c(Cc2c(C)c(C)c(C=O)c(C)c2C)c(C)c(C)c1C=O ZINC000003124051 563473319 /nfs/dbraw/zinc/47/33/19/563473319.db2.gz YMASLFNXVSSUKD-UHFFFAOYSA-N 0 0 336.475 5.370 10 0 EKAERN CCC=C(c1c(C)cc(C)c(C=O)c1C)c1c(C)cc(C)c(C=O)c1C ZINC000003124052 563473293 /nfs/dbraw/zinc/47/32/93/563473293.db2.gz LXODOSXKIKWCCI-UHFFFAOYSA-N 0 0 348.486 6.004 10 0 EKAERN O=C(c1ccccc1)n1c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000003124203 563473304 /nfs/dbraw/zinc/47/33/04/563473304.db2.gz WYAMWMSLRCJVLZ-UHFFFAOYSA-N 0 0 332.790 5.045 10 0 EKAERN O=c1c2ccccc2oc(-c2ccccc2)c1Cc1cccc(Cl)c1 ZINC000003138112 209968749 /nfs/dbraw/zinc/96/87/49/209968749.db2.gz DAUYDJLFYQFKIB-UHFFFAOYSA-N 0 0 346.813 5.704 10 0 EKAERN Brc1ccc2c(c1)oc1cc(Br)ccc12 ZINC000003161367 201559430 /nfs/dbraw/zinc/55/94/30/201559430.db2.gz GBCYJXFJGQKMPY-UHFFFAOYSA-N 0 0 325.987 5.111 10 0 EKAERN O=C(C[C@H](Nc1ccccc1)c1ccc(Cl)cc1)c1ccccc1 ZINC000003171318 209971742 /nfs/dbraw/zinc/97/17/42/209971742.db2.gz FFCGWRGWOZNCQH-FQEVSTJZSA-N 0 0 335.834 5.766 10 0 EKAERN O=C(C[C@@H](Nc1ccccc1)c1ccc(Cl)cc1)c1ccccc1 ZINC000003171321 209972201 /nfs/dbraw/zinc/97/22/01/209972201.db2.gz FFCGWRGWOZNCQH-HXUWFJFHSA-N 0 0 335.834 5.766 10 0 EKAERN c1ccc(Oc2nc(Oc3ccccc3)nc(-c3ccccc3)n2)cc1 ZINC000003171469 563475151 /nfs/dbraw/zinc/47/51/51/563475151.db2.gz WZEGSSJIAVYLCZ-UHFFFAOYSA-N 0 0 341.370 5.123 10 0 EKAERN Brc1cccc(Oc2cccc(Oc3ccccc3)c2)c1 ZINC000003172376 563475699 /nfs/dbraw/zinc/47/56/99/563475699.db2.gz MQEMLKFTHRALDW-UHFFFAOYSA-N 0 0 341.204 6.034 10 0 EKAERN Cc1ccc(CCCCCCCCCNC(=O)c2ccccc2)s1 ZINC000003178399 563475574 /nfs/dbraw/zinc/47/55/74/563475574.db2.gz PUPDFDGQTHITJA-UHFFFAOYSA-N 0 0 343.536 5.760 10 0 EKAERN Cc1c(SC(F)F)cc(SC(F)F)cc1SC(F)F ZINC000003230446 209981883 /nfs/dbraw/zinc/98/18/83/209981883.db2.gz GMEGKNKDBUAAQY-UHFFFAOYSA-N 0 0 338.363 5.939 10 0 EKAERN O=C(C[C@H](c1ccc(Cl)cc1)[C@@H]1CCCCC1=O)c1ccco1 ZINC000003238161 201561205 /nfs/dbraw/zinc/56/12/05/201561205.db2.gz MTLPDJVQUGSWGQ-JKSUJKDBSA-N 0 0 330.811 5.049 10 0 EKAERN COc1cc(C)c(NC(c2ccccc2)c2ccccc2)cc1OC ZINC000003372269 210020738 /nfs/dbraw/zinc/02/07/38/210020738.db2.gz SXZNXJOSCLEHKP-UHFFFAOYSA-N 0 0 333.431 5.214 10 0 EKAERN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000003554099 210053932 /nfs/dbraw/zinc/05/39/32/210053932.db2.gz GQPXHGAOOBBMPR-LBPRGKRZSA-N 0 0 338.234 5.016 10 0 EKAERN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000003554101 210053462 /nfs/dbraw/zinc/05/34/62/210053462.db2.gz GQPXHGAOOBBMPR-GFCCVEGCSA-N 0 0 338.234 5.016 10 0 EKAERN CC(C)(C)C(=O)N1CCC(C(c2ccccc2)c2ccccc2)CC1 ZINC000003604671 210063697 /nfs/dbraw/zinc/06/36/97/210063697.db2.gz LJKZRLLHXPYRNT-UHFFFAOYSA-N 0 0 335.491 5.103 10 0 EKAERN C[C@]1(c2ccc(Cl)c(Cl)c2)CCc2cc(Cl)cnc2O1 ZINC000003611586 210066671 /nfs/dbraw/zinc/06/66/71/210066671.db2.gz CLMOJMGQOOXBMX-OAHLLOKOSA-N 0 0 328.626 5.282 10 0 EKAERN COc1ccccc1OC(=O)c1ccccc1Nc1cccc(C)c1C ZINC000003621594 210067976 /nfs/dbraw/zinc/06/79/76/210067976.db2.gz QAVPLSMHPGKHQO-UHFFFAOYSA-N 0 0 347.414 5.275 10 0 EKAERN CCCc1c(=O)[nH]c2ccc(Cl)cc2c1SC1CCCCC1 ZINC000003648747 210070879 /nfs/dbraw/zinc/07/08/79/210070879.db2.gz CLKFNGKDJYMUPK-UHFFFAOYSA-N 0 0 335.900 5.559 10 0 in-vivo EKAERN CC(C)c1ccc(Sc2c(C(N)=O)[nH]c3ccc(Cl)cc32)cc1 ZINC000003654294 201360873 /nfs/dbraw/zinc/36/08/73/201360873.db2.gz DVTQMSBSWKXIKD-UHFFFAOYSA-N 0 0 344.867 5.195 10 0 EKAERN Cc1ccc(C)c(-c2[nH]c3ccc(Br)cc3c2C=O)c1 ZINC000003675128 210073265 /nfs/dbraw/zinc/07/32/65/210073265.db2.gz PAIZOBROQITPJP-UHFFFAOYSA-N 0 0 328.209 5.027 10 0 EKAERN CCCCc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(C=O)c2c1 ZINC000003675385 201360650 /nfs/dbraw/zinc/36/06/50/201360650.db2.gz OGNGXVKOWRXVPZ-UHFFFAOYSA-N 0 0 345.364 6.009 10 0 EKAERN Fc1ccccc1-n1nc(-c2cc3ccccc3o2)c2c1NCCCC2 ZINC000003696946 201580316 /nfs/dbraw/zinc/58/03/16/201580316.db2.gz JLXXCHKOZFGFQD-UHFFFAOYSA-N 0 0 347.393 5.173 10 0 EKAERN Clc1ccc2oc([C@@H](c3ccccc3Cl)n3ccnc3)cc2c1 ZINC000003780731 210074842 /nfs/dbraw/zinc/07/48/42/210074842.db2.gz ZSTBJMFRJPALNV-GOSISDBHSA-N 0 0 343.213 5.574 10 0 in-man EKAERN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 ZINC000003797551 210075444 /nfs/dbraw/zinc/07/54/44/210075444.db2.gz FKNZCFYWNHCQGE-IRMBCWQZSA-N 0 0 349.518 5.687 10 0 in-vitro EKAERN COc1ccc(O)c2c1C[C@]1(C)[C@@H](C)CC[C@H]3C(C)(C)CCC[C@]31O2 ZINC000003797935 210074645 /nfs/dbraw/zinc/07/46/45/210074645.db2.gz AHDRBWCUVQGBTR-DNEUNLEDSA-N 0 0 344.495 5.337 10 0 in-vitro EKAERN Clc1ccc(C2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)cc1 ZINC000003805043 201360624 /nfs/dbraw/zinc/36/06/24/201360624.db2.gz INIUCLZHMSKGKA-BGYRXZFFSA-N 0 0 332.834 5.172 10 0 EKAERN Cc1ccccc1C(=O)c1ccc(Nc2ccccc2N)cc1Cl ZINC000003817166 210076368 /nfs/dbraw/zinc/07/63/68/210076368.db2.gz MSXZXFPYTVQJIL-UHFFFAOYSA-N 0 0 336.822 5.205 10 0 EKAERN CCCCCC[C@@H](C)OC(=O)COc1ccc(Cl)cc1Cl ZINC000003870725 560190865 /nfs/dbraw/zinc/19/08/65/560190865.db2.gz GJNVTNDAZUATRV-GFCCVEGCSA-N 0 0 333.255 5.274 10 0 in-vitro EKAERN CCCCCC[C@H](C)OC(=O)COc1ccc(Cl)cc1Cl ZINC000003870726 560190917 /nfs/dbraw/zinc/19/09/17/560190917.db2.gz GJNVTNDAZUATRV-LBPRGKRZSA-N 0 0 333.255 5.274 10 0 in-vitro EKAERN CCOC(=O)c1ccc2c(c1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 ZINC000003906215 210090129 /nfs/dbraw/zinc/09/01/29/210090129.db2.gz DMOLYKQEFOZAPA-CTDHHTNQSA-N 0 0 347.458 5.160 10 0 EKAERN Clc1ccccc1/C=C/c1nc(Cc2ccccc2Cl)no1 ZINC000003913241 210093607 /nfs/dbraw/zinc/09/36/07/210093607.db2.gz WYSQNINZCARUHB-MDZDMXLPSA-N 0 0 331.202 5.138 10 0 EKAERN CC(C)(C)c1ccc(Cn2ccc3nc(-c4ccccc4)nc-3c2)cc1 ZINC000003937402 210094799 /nfs/dbraw/zinc/09/47/99/210094799.db2.gz CSAQSFXVIYEXSS-UHFFFAOYSA-N 0 0 341.458 5.396 10 0 EKAERN Clc1ccc(-c2nc(Cl)nc(Cl)c2-c2ccccc2)cc1 ZINC000003937703 210094468 /nfs/dbraw/zinc/09/44/68/210094468.db2.gz MXCJMJJNAURZBV-UHFFFAOYSA-N 0 0 335.621 5.771 10 0 EKAERN Clc1ccc(-c2c(Cl)nc(Cl)nc2-c2ccccc2)cc1 ZINC000003937707 210094527 /nfs/dbraw/zinc/09/45/27/210094527.db2.gz VIRCDOOWOZPUGO-UHFFFAOYSA-N 0 0 335.621 5.771 10 0 EKAERN COc1ccc(-c2c(Cl)nc(Cl)nc2-c2ccccc2)cc1 ZINC000003937708 201360865 /nfs/dbraw/zinc/36/08/65/201360865.db2.gz JQFOHCABLFVPPT-UHFFFAOYSA-N 0 0 331.202 5.126 10 0 EKAERN CSc1ccc(-c2c(Cl)nc(Cl)nc2-c2ccccc2)cc1 ZINC000003937709 201360286 /nfs/dbraw/zinc/36/02/86/201360286.db2.gz NOMZFRWOYNBDCH-UHFFFAOYSA-N 0 0 347.270 5.839 10 0 EKAERN CCc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1 ZINC000004069838 210111675 /nfs/dbraw/zinc/11/16/75/210111675.db2.gz AUQOMGSVPBNJAX-UHFFFAOYSA-N 0 0 342.851 5.278 10 0 EKAERN COc1ccc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)cc1O ZINC000004095121 210119207 /nfs/dbraw/zinc/11/92/07/210119207.db2.gz QSTKJRJCBVGMEW-UHFFFAOYSA-N 0 0 348.427 5.186 10 0 EKAERN CCCC/C=C\CCCCCCCCCCCc1cc(O)cc(O)c1 ZINC000004098871 210119469 /nfs/dbraw/zinc/11/94/69/210119469.db2.gz KDUIMXINOLVPCT-WAYWQWQTSA-N 0 0 346.555 7.288 10 0 biogenic,in-vitro EKAERN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1Cc1sc(N)nc12 ZINC000004138714 210130890 /nfs/dbraw/zinc/13/08/90/210130890.db2.gz LDZFZRSSOBEODZ-MWQAKLBZSA-N 0 0 330.541 5.172 10 0 EKAERN O=Cc1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000004201729 210145527 /nfs/dbraw/zinc/14/55/27/210145527.db2.gz QLUMCPOBEUEJJF-UHFFFAOYSA-N 0 0 345.181 5.178 10 0 EKAERN Clc1ccccc1[C@@H](c1ccc(-c2ccccc2)cc1)n1ccnc1 ZINC000004213681 210145907 /nfs/dbraw/zinc/14/59/07/210145907.db2.gz DALSNPRWUFOYDT-JOCHJYFZSA-N 0 0 344.845 5.841 10 0 in-man EKAERN Clc1ccc(C(c2ccccc2)(c2ccccc2)n2ccnc2)cc1 ZINC000004215446 210145681 /nfs/dbraw/zinc/14/56/81/210145681.db2.gz BLNLHAFFGFCSRK-UHFFFAOYSA-N 0 0 344.845 5.377 10 0 in-vitro EKAERN Cc1cc(O)c2c(O)c(-c3ccc4cc(C)cc(O)c4c3O)ccc2c1 ZINC000004215683 210145588 /nfs/dbraw/zinc/14/55/88/210145588.db2.gz ATGBDIJBTXFUFY-UHFFFAOYSA-N 0 0 346.382 5.099 10 0 biogenic,in-vitro EKAERN CCc1ccc(Oc2cc(C=O)cc(OC)c2OC)c(C(C)(C)C)c1 ZINC000004227100 210146534 /nfs/dbraw/zinc/14/65/34/210146534.db2.gz NCMVPTYNPJVSPP-UHFFFAOYSA-N 0 0 342.435 5.169 10 0 EKAERN COc1cc(C=O)cc(Oc2ccc(-c3ccc(C)cc3)cc2)c1OC ZINC000004227106 210146791 /nfs/dbraw/zinc/14/67/91/210146791.db2.gz LIMDFYWFEWZGIU-UHFFFAOYSA-N 0 0 348.398 5.284 10 0 EKAERN CCOc1c(OC)cc(C=O)cc1Oc1ccc(C(C)C)c(C)c1 ZINC000004227135 210146333 /nfs/dbraw/zinc/14/63/33/210146333.db2.gz DCKPSJGEAXOJFP-UHFFFAOYSA-N 0 0 328.408 5.131 10 0 EKAERN CCOc1c(OC)cc(C=O)cc1Oc1cc(C)ccc1C(C)(C)C ZINC000004227138 210146705 /nfs/dbraw/zinc/14/67/05/210146705.db2.gz DZISSHTWPSFXIN-UHFFFAOYSA-N 0 0 342.435 5.305 10 0 EKAERN CCOc1c(OC)cc(C=O)cc1Oc1ccc(C)cc1C(C)(C)C ZINC000004227139 210147146 /nfs/dbraw/zinc/14/71/46/210147146.db2.gz LKWSYDBBVUKFQB-UHFFFAOYSA-N 0 0 342.435 5.305 10 0 EKAERN CCOc1c(OC)cc(C=O)cc1Oc1ccc(C(C)(C)CC)cc1 ZINC000004227140 210147248 /nfs/dbraw/zinc/14/72/48/210147248.db2.gz UKKQMLODKTWNJS-UHFFFAOYSA-N 0 0 342.435 5.386 10 0 EKAERN CCOc1c(OC)cc(C=O)cc1Oc1c(C)cccc1C(C)(C)C ZINC000004227141 201594842 /nfs/dbraw/zinc/59/48/42/201594842.db2.gz UONOWVSHXARMNU-UHFFFAOYSA-N 0 0 342.435 5.305 10 0 EKAERN CCOc1c(OC)cc(C=O)cc1Oc1ccc(-c2ccccc2)cc1 ZINC000004227146 210147464 /nfs/dbraw/zinc/14/74/64/210147464.db2.gz IMDUXEQTKGJMJF-UHFFFAOYSA-N 0 0 348.398 5.366 10 0 EKAERN CCOc1c(OC)cc(C=O)cc1Oc1ccccc1-c1ccccc1 ZINC000004227149 210146671 /nfs/dbraw/zinc/14/66/71/210146671.db2.gz PXMLPRBFOVDIIS-UHFFFAOYSA-N 0 0 348.398 5.366 10 0 EKAERN CCCOc1c(OC)cc(C=O)cc1Oc1cc(C)cc(C)c1C ZINC000004227168 210147326 /nfs/dbraw/zinc/14/73/26/210147326.db2.gz YIDCSICVAHKTCV-UHFFFAOYSA-N 0 0 328.408 5.014 10 0 EKAERN CCCOc1c(OC)cc(C=O)cc1Oc1ccccc1C(C)C ZINC000004227169 210147342 /nfs/dbraw/zinc/14/73/42/210147342.db2.gz NEJJXSXUHMVQKA-UHFFFAOYSA-N 0 0 328.408 5.212 10 0 EKAERN CCCOc1c(OC)cc(C=O)cc1Oc1c(C)ccc(C)c1C ZINC000004227170 210148782 /nfs/dbraw/zinc/14/87/82/210148782.db2.gz XBYFBTZBJMVPNX-UHFFFAOYSA-N 0 0 328.408 5.014 10 0 EKAERN CCCOc1c(OC)cc(C=O)cc1Oc1ccc(CCC)cc1 ZINC000004227171 210148669 /nfs/dbraw/zinc/14/86/69/210148669.db2.gz WYAOLDBFGZUNNW-UHFFFAOYSA-N 0 0 328.408 5.041 10 0 EKAERN CCCOc1c(OC)cc(C=O)cc1Oc1ccc(C(C)C)c(C)c1 ZINC000004227172 210148975 /nfs/dbraw/zinc/14/89/75/210148975.db2.gz JTZAOWXMPIOZGE-UHFFFAOYSA-N 0 0 342.435 5.521 10 0 EKAERN CCCOc1c(OC)cc(C=O)cc1Oc1ccccc1C(C)(C)C ZINC000004227173 210148790 /nfs/dbraw/zinc/14/87/90/210148790.db2.gz PCYKIFOJOMLPFM-UHFFFAOYSA-N 0 0 342.435 5.386 10 0 EKAERN CCCOc1c(OC)cc(C=O)cc1Oc1ccc(C(C)(C)C)cc1 ZINC000004227185 210148036 /nfs/dbraw/zinc/14/80/36/210148036.db2.gz UPBWEUSHSFHVRC-UHFFFAOYSA-N 0 0 342.435 5.386 10 0 EKAERN CCCOc1c(OC)cc(C=O)cc1Oc1ccc2ccccc2c1 ZINC000004227189 210148529 /nfs/dbraw/zinc/14/85/29/210148529.db2.gz YPFGKTDEIGRKBH-UHFFFAOYSA-N 0 0 336.387 5.242 10 0 EKAERN COc1cc(C=O)cc(Oc2cc(C)cc(C)c2C)c1OC(C)C ZINC000004227205 210148313 /nfs/dbraw/zinc/14/83/13/210148313.db2.gz UZHMOCNIZRDWJT-UHFFFAOYSA-N 0 0 328.408 5.012 10 0 EKAERN COc1cc(C=O)cc(Oc2ccccc2C(C)C)c1OC(C)C ZINC000004227206 210148515 /nfs/dbraw/zinc/14/85/15/210148515.db2.gz LVBRABZBZZOMSU-UHFFFAOYSA-N 0 0 328.408 5.211 10 0 EKAERN COc1cc(C=O)cc(Oc2c(C)ccc(C)c2C)c1OC(C)C ZINC000004227207 210148042 /nfs/dbraw/zinc/14/80/42/210148042.db2.gz WEGVNIDVYCMSQE-UHFFFAOYSA-N 0 0 328.408 5.012 10 0 EKAERN CCCc1ccc(Oc2cc(C=O)cc(OC)c2OC(C)C)cc1 ZINC000004227208 201594927 /nfs/dbraw/zinc/59/49/27/201594927.db2.gz SHAOCTIJHVEUTM-UHFFFAOYSA-N 0 0 328.408 5.040 10 0 EKAERN COc1cc(C=O)cc(Oc2ccc(C(C)C)c(C)c2)c1OC(C)C ZINC000004227209 210148281 /nfs/dbraw/zinc/14/82/81/210148281.db2.gz YBDMEGACEQHCGL-UHFFFAOYSA-N 0 0 342.435 5.519 10 0 EKAERN COc1cc(C=O)cc(Oc2ccccc2C(C)(C)C)c1OC(C)C ZINC000004227210 210148438 /nfs/dbraw/zinc/14/84/38/210148438.db2.gz LMILTDJSXBQRBV-UHFFFAOYSA-N 0 0 342.435 5.385 10 0 EKAERN COc1cc(C=O)cc(Oc2ccc(C(C)(C)C)cc2)c1OC(C)C ZINC000004227222 210149217 /nfs/dbraw/zinc/14/92/17/210149217.db2.gz FEEUONKNZMKTOM-UHFFFAOYSA-N 0 0 342.435 5.385 10 0 EKAERN COc1cc(C=O)cc(Oc2ccc3ccccc3c2)c1OC(C)C ZINC000004227226 210148700 /nfs/dbraw/zinc/14/87/00/210148700.db2.gz ROXMAVVHHSCEQY-UHFFFAOYSA-N 0 0 336.387 5.240 10 0 EKAERN CCCCOc1c(OC)cc(C=O)cc1Oc1ccc(CC)cc1 ZINC000004227231 210148490 /nfs/dbraw/zinc/14/84/90/210148490.db2.gz VKNJCHAKJZMJCO-UHFFFAOYSA-N 0 0 328.408 5.041 10 0 EKAERN CCCCOc1c(OC)cc(C=O)cc1Oc1c(C)cccc1C ZINC000004227233 210147903 /nfs/dbraw/zinc/14/79/03/210147903.db2.gz TVGKJSSDXSWLRP-UHFFFAOYSA-N 0 0 328.408 5.096 10 0 EKAERN CCCCOc1c(OC)cc(C=O)cc1Oc1cccc(C)c1C ZINC000004227235 210148656 /nfs/dbraw/zinc/14/86/56/210148656.db2.gz AUIOZMKKLDBQDV-UHFFFAOYSA-N 0 0 328.408 5.096 10 0 EKAERN CCCCOc1c(OC)cc(C=O)cc1Oc1ccc(C)cc1C ZINC000004227237 210148693 /nfs/dbraw/zinc/14/86/93/210148693.db2.gz HBMAZNOEFRWCCH-UHFFFAOYSA-N 0 0 328.408 5.096 10 0 EKAERN CCCCOc1c(OC)cc(C=O)cc1Oc1cc(C)cc(C)c1C ZINC000004227242 210148961 /nfs/dbraw/zinc/14/89/61/210148961.db2.gz ZRTQTHHHVKFSPU-UHFFFAOYSA-N 0 0 342.435 5.404 10 0 EKAERN CCCCOc1c(OC)cc(C=O)cc1Oc1ccccc1C(C)C ZINC000004227243 210148755 /nfs/dbraw/zinc/14/87/55/210148755.db2.gz HJRPUGQJSCPNFW-UHFFFAOYSA-N 0 0 342.435 5.602 10 0 EKAERN CCCCOc1c(OC)cc(C=O)cc1Oc1c(C)ccc(C)c1C ZINC000004227244 210148021 /nfs/dbraw/zinc/14/80/21/210148021.db2.gz OTWUUICAGABUBR-UHFFFAOYSA-N 0 0 342.435 5.404 10 0 EKAERN CCCCOc1c(OC)cc(C=O)cc1Oc1cccc(CC)c1 ZINC000004227266 210148406 /nfs/dbraw/zinc/14/84/06/210148406.db2.gz RCZBCUKURAYWQH-UHFFFAOYSA-N 0 0 328.408 5.041 10 0 EKAERN CCCCCOc1c(OC)cc(C=O)cc1Oc1cc(C)cc(C)c1 ZINC000004227269 210148086 /nfs/dbraw/zinc/14/80/86/210148086.db2.gz AFMIQKPOIRIIBY-UHFFFAOYSA-N 0 0 342.435 5.486 10 0 EKAERN CCCCCOc1c(OC)cc(C=O)cc1Oc1c(C)cccc1C ZINC000004227270 210148398 /nfs/dbraw/zinc/14/83/98/210148398.db2.gz SRQSZHUONXNPAM-UHFFFAOYSA-N 0 0 342.435 5.486 10 0 EKAERN CCCCCOc1c(OC)cc(C=O)cc1Oc1ccc(C)c(C)c1 ZINC000004227273 210149156 /nfs/dbraw/zinc/14/91/56/210149156.db2.gz DQRUPXJATYGSAL-UHFFFAOYSA-N 0 0 342.435 5.486 10 0 EKAERN CCCCCCOc1c(OC)cc(C=O)cc1Oc1ccc(C)cc1 ZINC000004227304 210148856 /nfs/dbraw/zinc/14/88/56/210148856.db2.gz KGTBMZRZGWIFSO-UHFFFAOYSA-N 0 0 342.435 5.568 10 0 EKAERN CCCCCCOc1c(OC)cc(C=O)cc1Oc1ccccc1C ZINC000004227336 210148059 /nfs/dbraw/zinc/14/80/59/210148059.db2.gz NJHSBBLQYIEZNJ-UHFFFAOYSA-N 0 0 342.435 5.568 10 0 EKAERN CCCCCCOc1c(OC)cc(C=O)cc1Oc1cccc(C)c1 ZINC000004227338 210148750 /nfs/dbraw/zinc/14/87/50/210148750.db2.gz BERWIGYVKPHBDT-UHFFFAOYSA-N 0 0 342.435 5.568 10 0 EKAERN OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000004254512 201595348 /nfs/dbraw/zinc/59/53/48/201595348.db2.gz YCLZRYHJGKMMHR-UHFFFAOYSA-N 0 0 347.216 5.417 10 0 EKAERN Cc1ccc(C)c(-c2csc(NC(=O)c3ccccc3Cl)n2)c1 ZINC000004256858 210154190 /nfs/dbraw/zinc/15/41/90/210154190.db2.gz TUNWQJIUVBYDRP-UHFFFAOYSA-N 0 0 342.851 5.333 10 0 EKAERN Cc1c2nc(NC(=O)c3ccc(Cl)s3)sc2ccc1Cl ZINC000004264253 210155676 /nfs/dbraw/zinc/15/56/76/210155676.db2.gz ZGMYTTNQVMOCQQ-UHFFFAOYSA-N 0 0 343.260 5.225 10 0 EKAERN Cc1ccc(Cl)c2sc(NC(=O)c3ccc(Cl)s3)nc21 ZINC000004264292 210155079 /nfs/dbraw/zinc/15/50/79/210155079.db2.gz GKILELIRYZUXMT-UHFFFAOYSA-N 0 0 343.260 5.225 10 0 EKAERN C[C@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)C2CCCC2)CC(C)(C)C1 ZINC000004299755 563499354 /nfs/dbraw/zinc/49/93/54/563499354.db2.gz ABSSQTMYTFIBHO-DBVUQKKJSA-N 0 0 327.512 5.291 10 0 EKAERN CC(C)c1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1 ZINC000004316898 210168958 /nfs/dbraw/zinc/16/89/58/210168958.db2.gz XWNCVUVOUNFHCU-UHFFFAOYSA-N 0 0 338.234 5.134 10 0 EKAERN O=C(COc1cc(Cl)ccc1Cl)Nc1ccc2ccccc2c1 ZINC000004316985 210168883 /nfs/dbraw/zinc/16/88/83/210168883.db2.gz PNZMOOFUGUHZPS-UHFFFAOYSA-N 0 0 346.213 5.164 10 0 EKAERN S=C(N[C@@H]1C[C@@H]2C=C[C@H]1C2)NC1CCCCCCCCCCC1 ZINC000004324229 210172016 /nfs/dbraw/zinc/17/20/16/210172016.db2.gz PWSUGUCXRNRBFZ-ZIFCJYIRSA-N 0 0 334.573 5.088 10 0 EKAERN S=C(N[C@H]1C[C@@H]2C=C[C@H]1C2)NC1CCCCCCCCCCC1 ZINC000004324230 210171881 /nfs/dbraw/zinc/17/18/81/210171881.db2.gz PWSUGUCXRNRBFZ-AOIWGVFYSA-N 0 0 334.573 5.088 10 0 EKAERN CC(C)[C@H]1CC[C@H](C)C[C@H]1NC(=O)c1c(Cl)cccc1Cl ZINC000004343252 210175325 /nfs/dbraw/zinc/17/53/25/210175325.db2.gz SFTIRRHUYMDLOA-YWPYICTPSA-N 0 0 328.283 5.184 10 0 EKAERN Cc1ccc(CSc2nnc(C(C)C)n2-c2ccccc2)cc1C ZINC000004365620 210180287 /nfs/dbraw/zinc/18/02/87/210180287.db2.gz CXONKEYEWMRICA-UHFFFAOYSA-N 0 0 337.492 5.300 10 0 EKAERN Oc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1 ZINC000004655098 560199516 /nfs/dbraw/zinc/19/95/16/560199516.db2.gz BFEKLMSBXGRXSD-UHFFFAOYSA-N 0 0 342.436 6.326 10 0 in-vitro EKAERN Oc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc1Cl ZINC000004655099 210237932 /nfs/dbraw/zinc/23/79/32/210237932.db2.gz QLPPOBFMEBKBOZ-UHFFFAOYSA-N 0 0 342.436 6.326 10 0 in-vitro EKAERN C/C(=C\c1ccccc1)c1nc2ccc(C)cn2c1NC1CCCCC1 ZINC000004754245 210270109 /nfs/dbraw/zinc/27/01/09/210270109.db2.gz XHJVGTNCUSFOBL-OBGWFSINSA-N 0 0 345.490 5.948 10 0 EKAERN Cc1cc(SCc2c(F)cccc2Cl)nc2c(C)cccc12 ZINC000004801514 210280221 /nfs/dbraw/zinc/28/02/21/210280221.db2.gz OSYCXGKACIPFDU-UHFFFAOYSA-N 0 0 331.843 5.936 10 0 EKAERN C[C@@H](CC(=O)N(CCc1ccccc1)Cc1ccco1)CC(C)(C)C ZINC000004806453 210282200 /nfs/dbraw/zinc/28/22/00/210282200.db2.gz JCDKUZLCYNZKMP-SFHVURJKSA-N 0 0 341.495 5.313 10 0 EKAERN C[C@H](CC(=O)N(CCc1ccccc1)Cc1ccco1)CC(C)(C)C ZINC000004806459 210282277 /nfs/dbraw/zinc/28/22/77/210282277.db2.gz JCDKUZLCYNZKMP-GOSISDBHSA-N 0 0 341.495 5.313 10 0 EKAERN CCCCC(=O)N1CCS[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000004827702 210288653 /nfs/dbraw/zinc/28/86/53/210288653.db2.gz UJGWGCQSNROWHA-HXUWFJFHSA-N 0 0 341.476 5.243 10 0 EKAERN CCCCC(=O)N1CCS[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000004827706 210288812 /nfs/dbraw/zinc/28/88/12/210288812.db2.gz UJGWGCQSNROWHA-FQEVSTJZSA-N 0 0 341.476 5.243 10 0 EKAERN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(F)(F)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004896819 560200249 /nfs/dbraw/zinc/20/02/49/560200249.db2.gz CFOLMZDQBCZMCT-PHFHYRSDSA-N 0 0 326.471 5.415 10 0 in-vitro EKAERN CCc1ccccc1NC(=O)c1cc2c(o1)c1ccccc1nc2C ZINC000004902577 210317831 /nfs/dbraw/zinc/31/78/31/210317831.db2.gz WPNPXVLBJFQNMM-UHFFFAOYSA-N 0 0 330.387 5.104 10 0 EKAERN Cc1nc2ccccc2c2oc(C(=O)Nc3ccc(Cl)cc3)cc21 ZINC000004902619 210317286 /nfs/dbraw/zinc/31/72/86/210317286.db2.gz KAAIUDUWDMSZDK-UHFFFAOYSA-N 0 0 336.778 5.195 10 0 EKAERN Cc1cccc(Nc2c(-c3cccs3)nc3nc(C)cc(C)n32)c1 ZINC000004903580 210317242 /nfs/dbraw/zinc/31/72/42/210317242.db2.gz SXKBARKLMWKUTE-UHFFFAOYSA-N 0 0 334.448 5.127 10 0 EKAERN CCc1ccc2ncc3c(-c4ccccc4)nn(-c4ccccc4)c3c2c1 ZINC000004969966 210343166 /nfs/dbraw/zinc/34/31/66/210343166.db2.gz LMMFOKQIMWQPMB-UHFFFAOYSA-N 0 0 349.437 5.803 10 0 EKAERN Fc1ccc(-c2cn3cc(Cc4cccc(Cl)c4)sc3n2)cc1 ZINC000005020476 210364042 /nfs/dbraw/zinc/36/40/42/210364042.db2.gz YOWXDIOTNZFZDV-UHFFFAOYSA-N 0 0 342.826 5.446 10 0 EKAERN CCc1ccccc1NC(=O)c1cc2sc(Cl)cc2n1CC ZINC000005036588 210371915 /nfs/dbraw/zinc/37/19/15/210371915.db2.gz RYWPLWBADPLFJL-UHFFFAOYSA-N 0 0 332.856 5.191 10 0 EKAERN CC[C@@H](C)C[C@@H](CC)Nc1ccc(N[C@@H](CC)C[C@@H](C)CC)cc1 ZINC000005114952 210392043 /nfs/dbraw/zinc/39/20/43/210392043.db2.gz JUHXTONDLXIGGK-FGYAAKKASA-N 0 0 332.576 6.940 10 0 EKAERN CC[C@H](C[C@@H](C)CC)Nc1ccc(N[C@@H](CC)C[C@@H](C)CC)cc1 ZINC000005115053 210391518 /nfs/dbraw/zinc/39/15/18/210391518.db2.gz JUHXTONDLXIGGK-LWYYNNOASA-N 0 0 332.576 6.940 10 0 EKAERN CC[C@H](C)C[C@H](CC)Nc1ccc(N[C@@H](CC)C[C@@H](C)CC)cc1 ZINC000005115056 210391719 /nfs/dbraw/zinc/39/17/19/210391719.db2.gz JUHXTONDLXIGGK-MUGJNUQGSA-N 0 0 332.576 6.940 10 0 EKAERN Fc1cccc2c(OCCc3cccc(C(F)(F)F)c3)ccnc12 ZINC000005117132 210393739 /nfs/dbraw/zinc/39/37/39/210393739.db2.gz ZKKVGGDNUHRUJH-UHFFFAOYSA-N 0 0 335.300 5.014 10 0 EKAERN Fc1cccc2c(OCCc3ccc(-c4ccccc4)cc3)ccnc12 ZINC000005117435 210392765 /nfs/dbraw/zinc/39/27/65/210392765.db2.gz MUAYCIPBNVYYSF-UHFFFAOYSA-N 0 0 343.401 5.662 10 0 EKAERN CCC(=O)c1cccc(N2CCCC23CCCCC3)c1-c1ccccc1 ZINC000005138712 201361583 /nfs/dbraw/zinc/36/15/83/201361583.db2.gz QXISDUDAMQSNLS-UHFFFAOYSA-N 0 0 347.502 6.249 10 0 EKAERN CC(C)=CCC/C(C)=C/Cc1c(O)cc(/C=C/c2ccccc2)cc1O ZINC000005158604 201057561 /nfs/dbraw/zinc/05/75/61/201057561.db2.gz YPGQBVBJFQCVKA-ORSZPIRQSA-N 0 0 348.486 6.503 10 0 EKAERN c1cn(C(Cc2ccccc2)n2ccc3ccccc32)c2ccccc12 ZINC000005162331 210403019 /nfs/dbraw/zinc/40/30/19/210403019.db2.gz SJZKQJGANDJRDU-UHFFFAOYSA-N 0 0 336.438 5.886 10 0 EKAERN Clc1ccc2nc(Nc3ccccc3)c(Nc3ccccc3)nc2c1 ZINC000005162466 210402515 /nfs/dbraw/zinc/40/25/15/210402515.db2.gz FAWDYLYVVKBRJB-UHFFFAOYSA-N 0 0 346.821 5.770 10 0 EKAERN Oc1cc(Cl)c(Cl)c(Cl)c1-n1ccc(Cl)c1Cl ZINC000005162984 560201131 /nfs/dbraw/zinc/20/11/31/560201131.db2.gz VQUHAXJBUPCVDX-UHFFFAOYSA-N 0 0 331.413 5.450 10 0 in-vitro EKAERN c1ccc2c(c1)CSCCSCCCSCCSC2 ZINC000005187665 210409953 /nfs/dbraw/zinc/40/99/53/210409953.db2.gz RNDJWQAWJYUCMJ-UHFFFAOYSA-N 0 0 330.609 5.023 10 0 EKAERN CCCCCCOc1ccc(OC(=O)c2ccc(Cl)cc2)cc1 ZINC000005214411 564001135 /nfs/dbraw/zinc/00/11/35/564001135.db2.gz SRKIWUSAHGBWNB-UHFFFAOYSA-N 0 0 332.827 5.518 10 0 EKAERN CCCCCn1cnc2sc(C)c(-c3ccc(C)c(C)c3)c2c1=O ZINC000005236255 210420517 /nfs/dbraw/zinc/42/05/17/210420517.db2.gz ZQAUXOFAIKQATR-UHFFFAOYSA-N 0 0 340.492 5.240 10 0 EKAERN Cc1ccc(Nc2ncnc3scc(-c4ccc(F)cc4)c32)cc1C ZINC000005236322 210419339 /nfs/dbraw/zinc/41/93/39/210419339.db2.gz BXEGXJGAPCXJQT-UHFFFAOYSA-N 0 0 349.434 5.858 10 0 EKAERN CCc1ccc(CSc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000005236401 210419933 /nfs/dbraw/zinc/41/99/33/210419933.db2.gz WIRIFJPRRNHDCL-UHFFFAOYSA-N 0 0 340.517 5.425 10 0 EKAERN CC(C)(C)CNC(=O)c1cc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000005283960 210432389 /nfs/dbraw/zinc/43/23/89/210432389.db2.gz APLSKTPHOJLDNY-UHFFFAOYSA-N 0 0 344.458 5.192 10 0 EKAERN CCCCC[C@@H](CCCC[C@@H](CC)CCCC)C(=O)N1CCCC1 ZINC000005297933 563525567 /nfs/dbraw/zinc/52/55/67/563525567.db2.gz PUDAEZURQDGMEW-SFTDATJTSA-N 0 0 337.592 6.582 10 0 EKAERN CCCCC[C@@H](CCCC[C@H](CC)CCCC)C(=O)N1CCCC1 ZINC000005297945 563525709 /nfs/dbraw/zinc/52/57/09/563525709.db2.gz PUDAEZURQDGMEW-RTWAWAEBSA-N 0 0 337.592 6.582 10 0 EKAERN CCCCC[C@H](CCCC[C@@H](CC)CCCC)C(=O)N1CCCC1 ZINC000005297980 210435014 /nfs/dbraw/zinc/43/50/14/210435014.db2.gz PUDAEZURQDGMEW-LEWJYISDSA-N 0 0 337.592 6.582 10 0 EKAERN CCCCC[C@H](CCCC[C@H](CC)CCCC)C(=O)N1CCCC1 ZINC000005297990 210435431 /nfs/dbraw/zinc/43/54/31/210435431.db2.gz PUDAEZURQDGMEW-NHCUHLMSSA-N 0 0 337.592 6.582 10 0 EKAERN Cn1c(-c2ccc3c4c(cccc42)C(C)(C)C3(C)C)cc2ccccc21 ZINC000005305274 210436884 /nfs/dbraw/zinc/43/68/84/210436884.db2.gz KNRCLKQCTXHOGU-UHFFFAOYSA-N 0 0 339.482 6.567 10 0 EKAERN CCCC[C@@](Sc1ccccc1)(c1ccccc1)c1ccccn1 ZINC000005309885 210436537 /nfs/dbraw/zinc/43/65/37/210436537.db2.gz JYLRUSNSMJSQFY-JOCHJYFZSA-N 0 0 333.500 6.308 10 0 EKAERN CCCCc1cccc(-c2cc(-c3ccccc3)nc3ccccc32)c1 ZINC000005310403 201646956 /nfs/dbraw/zinc/64/69/56/201646956.db2.gz ITCGDLZOMSWGJW-UHFFFAOYSA-N 0 0 337.466 6.911 10 0 EKAERN CCCc1sc2c(ccc3ccccc23)c1CCc1ccccc1 ZINC000005311220 210437026 /nfs/dbraw/zinc/43/70/26/210437026.db2.gz NSZXTSLWULFEFT-UHFFFAOYSA-N 0 0 330.496 6.792 10 0 EKAERN CCn1c2ccc(-c3ccc[nH]3)cc2c2cc(-c3ccc[nH]3)ccc21 ZINC000005328025 210439754 /nfs/dbraw/zinc/43/97/54/210439754.db2.gz HEHZQCAFISMJOR-UHFFFAOYSA-N 0 0 325.415 5.805 10 0 EKAERN CN(C)c1ccc([C@@H](Cc2ccccc2)c2c[nH]c3ccccc32)cc1 ZINC000005328611 201648037 /nfs/dbraw/zinc/64/80/37/201648037.db2.gz DIHHGOPNAIFXLQ-JOCHJYFZSA-N 0 0 340.470 5.609 10 0 EKAERN Cc1ccc(C)c(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)c1 ZINC000005330671 210440424 /nfs/dbraw/zinc/44/04/24/210440424.db2.gz XVBFWJTUXIMCME-UHFFFAOYSA-N 0 0 335.450 6.699 10 0 EKAERN Cc1ccc([C@H](O)[C@@H](c2ccccc2)n2ccc3ccccc32)cc1 ZINC000005330855 201647878 /nfs/dbraw/zinc/64/78/78/201647878.db2.gz WYDSIVQNZNJWNM-PKTZIBPZSA-N 0 0 327.427 5.273 10 0 EKAERN Cc1ccc([C@@H](O)[C@@H](c2ccccc2)n2ccc3ccccc32)cc1 ZINC000005330888 210441454 /nfs/dbraw/zinc/44/14/54/210441454.db2.gz WYDSIVQNZNJWNM-DHIUTWEWSA-N 0 0 327.427 5.273 10 0 EKAERN Cc1ccc(-c2nc3ccccc3c(=S)n2-c2ccccc2)cc1 ZINC000005330935 210441683 /nfs/dbraw/zinc/44/16/83/210441683.db2.gz RFPGUYNTNGONHP-UHFFFAOYSA-N 0 0 328.440 5.730 10 0 EKAERN Cc1ccc2c(c1)[C@@H](n1c3ccccc3c3ccccc31)CCN2C ZINC000005330997 135671066 /nfs/dbraw/zinc/67/10/66/135671066.db2.gz DEMZZNUJTFBNMO-QHCPKHFHSA-N 0 0 326.443 5.532 10 0 EKAERN Cn1c2ccccc2c2cc(-c3ccccc3)cc(-c3ccccc3)c21 ZINC000005331206 210441392 /nfs/dbraw/zinc/44/13/92/210441392.db2.gz YFRWKZHKZNKWAB-UHFFFAOYSA-N 0 0 333.434 6.666 10 0 EKAERN c1ccc(C[C@H]2[C@H](c3ccccc3)Cc3cccc4c3N2CCC4)cc1 ZINC000005331727 135671126 /nfs/dbraw/zinc/67/11/26/135671126.db2.gz BFLBMUSKNQNENK-ZEQRLZLVSA-N 0 0 339.482 5.390 10 0 EKAERN c1ccc([C@@H]2CCN3CC[C@@H](c4ccccc4)c4cccc2c43)cc1 ZINC000005331935 135671180 /nfs/dbraw/zinc/67/11/80/135671180.db2.gz LXEZOZSXUURBJG-SFTDATJTSA-N 0 0 325.455 5.564 10 0 EKAERN c1ccc([C@H]2CN3CCCc4cccc(c43)[C@@H]2c2ccccc2)cc1 ZINC000005332005 135671175 /nfs/dbraw/zinc/67/11/75/135671175.db2.gz FDBCJCZNQIGIRK-PKTZIBPZSA-N 0 0 325.455 5.369 10 0 EKAERN Cc1ccccc1N[C@@H](c1ccccc1Cl)n1nnc2ccccc21 ZINC000005337893 563527136 /nfs/dbraw/zinc/52/71/36/563527136.db2.gz PLJWLUXUQDCWHS-HXUWFJFHSA-N 0 0 348.837 5.052 10 0 EKAERN Cc1ccccc1N[C@H](c1ccccc1Cl)n1nnc2ccccc21 ZINC000005337896 563527223 /nfs/dbraw/zinc/52/72/23/563527223.db2.gz PLJWLUXUQDCWHS-FQEVSTJZSA-N 0 0 348.837 5.052 10 0 EKAERN C(=C\c1ccc(-n2nc3ccc4ccccc4c3n2)cc1)\c1ccccc1 ZINC000005353331 201362443 /nfs/dbraw/zinc/36/24/43/201362443.db2.gz JAONWSWNLZLNFS-KHPPLWFESA-N 0 0 347.421 5.744 10 0 EKAERN COc1ccc([C@H](Sc2ccccc2)c2ccccc2)cc1OC ZINC000005361224 210449287 /nfs/dbraw/zinc/44/92/87/210449287.db2.gz OSUIROULOJVBBO-OAQYLSRUSA-N 0 0 336.456 5.586 10 0 EKAERN CC(C)[C@H]1CC[C@H](C)C[C@H]1N(Cc1ccccc1)C(=O)c1ccco1 ZINC000005376293 210451409 /nfs/dbraw/zinc/45/14/09/210451409.db2.gz HNNCIRYDHPLEAA-DFQSSKMNSA-N 0 0 339.479 5.383 10 0 EKAERN Cc1ccc(C)c([C@H](c2ccc(Cl)cc2)n2nnc3ccccc32)c1 ZINC000005380018 210453550 /nfs/dbraw/zinc/45/35/50/210453550.db2.gz IGZOOPLMNHWHDW-NRFANRHFSA-N 0 0 347.849 5.339 10 0 EKAERN CC(C)(C)C(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000005383568 210453820 /nfs/dbraw/zinc/45/38/20/210453820.db2.gz RIOSBVYMRYXYPN-UHFFFAOYSA-N 0 0 336.460 5.462 10 0 EKAERN CC(C)CN(CC(C)C)C(=O)/C=C/c1c(Cl)cccc1Cl ZINC000005384226 210453909 /nfs/dbraw/zinc/45/39/09/210453909.db2.gz SMDXZQNVZFXQDS-CMDGGOBGSA-N 0 0 328.283 5.147 10 0 EKAERN CC(C)CN(CC(C)C)C(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000005384227 201649356 /nfs/dbraw/zinc/64/93/56/201649356.db2.gz GTAVMZQZQAQYRJ-SOFGYWHQSA-N 0 0 328.283 5.147 10 0 EKAERN COc1ccccc1[C@H]1CC(c2ccc(C)cc2)=NN1c1ccccc1 ZINC000005413826 210458744 /nfs/dbraw/zinc/45/87/44/210458744.db2.gz DYCZGCRAPWSIPJ-JOCHJYFZSA-N 0 0 342.442 5.359 10 0 EKAERN Cc1ccc(NC(=O)c2ccccc2CSc2ccccc2)cc1 ZINC000005415112 210458789 /nfs/dbraw/zinc/45/87/89/210458789.db2.gz XOUDNSOPGBUMKE-UHFFFAOYSA-N 0 0 333.456 5.540 10 0 EKAERN Cc1ccc([C@H](Cc2ccccc2)c2cc(-c3ccccc3)co2)s1 ZINC000005417811 210460392 /nfs/dbraw/zinc/46/03/92/210460392.db2.gz GBMJJGJETFIPJX-OAQYLSRUSA-N 0 0 344.479 6.691 10 0 EKAERN CCCCc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000005468040 210470109 /nfs/dbraw/zinc/47/01/09/210470109.db2.gz BLSMPDYGOYCCEO-UHFFFAOYSA-N 0 0 343.879 6.150 10 0 EKAERN COc1cc(/C=C/c2cccc3ccccc23)ccc1OC(=O)C(C)C ZINC000005481675 210472543 /nfs/dbraw/zinc/47/25/43/210472543.db2.gz QQQYYIMZUCBXHU-ACCUITESSA-N 0 0 346.426 5.580 10 0 EKAERN O=C(C[C@H](c1ccccc1)[C@@H]1CCCCCCC1=O)c1ccccc1 ZINC000005486867 210472385 /nfs/dbraw/zinc/47/23/85/210472385.db2.gz UUNKXMFKVXRQAO-LEWJYISDSA-N 0 0 334.459 5.583 10 0 EKAERN O=C(C[C@@H](c1ccccc1)[C@@H]1CCCCCCC1=O)c1ccccc1 ZINC000005489171 210474696 /nfs/dbraw/zinc/47/46/96/210474696.db2.gz UUNKXMFKVXRQAO-SFTDATJTSA-N 0 0 334.459 5.583 10 0 EKAERN c1ccc([C@H](c2cccc3ccccc32)n2nnc3ccccc32)cc1 ZINC000005489613 201652497 /nfs/dbraw/zinc/65/24/97/201652497.db2.gz SYMFLWWCNXUQCI-HSZRJFAPSA-N 0 0 335.410 5.222 10 0 EKAERN O=C(c1ccccc1)c1cc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000005490875 210474018 /nfs/dbraw/zinc/47/40/18/210474018.db2.gz KJYXINBKAWUDGA-UHFFFAOYSA-N 0 0 335.406 5.647 10 0 EKAERN O=C(c1ccc(-c2ccccc2)cc1)C(c1ccccc1)c1ccccc1 ZINC000005491050 201652228 /nfs/dbraw/zinc/65/22/28/201652228.db2.gz ZFMVFWAENZDNJC-UHFFFAOYSA-N 0 0 348.445 6.368 10 0 EKAERN CCCCC/C=C/C/C=C/C/C=C\CCCCCCC(=O)NCCO ZINC000005510393 201653742 /nfs/dbraw/zinc/65/37/42/201653742.db2.gz ULQWKETUACYZLI-RNCOHGIQSA-N 0 0 349.559 5.465 10 0 EKAERN CCCCOC(=O)CCCCCCCCCCC(=O)OCCCC ZINC000005513985 210478397 /nfs/dbraw/zinc/47/83/97/210478397.db2.gz PYWJUJAIGZXCMW-UHFFFAOYSA-N 0 0 342.520 5.574 10 0 EKAERN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(C(C)C)cc1 ZINC000005541085 210484613 /nfs/dbraw/zinc/48/46/13/210484613.db2.gz QCNXUIJTLDBIEJ-CQSZACIVSA-N 0 0 331.843 5.178 10 0 EKAERN Cc1ccc(OCC(=O)Nc2ccc3ccccc3c2)c(C(C)(C)C)c1 ZINC000005542169 210484958 /nfs/dbraw/zinc/48/49/58/210484958.db2.gz FFVWETOYULJAAW-UHFFFAOYSA-N 0 0 347.458 5.463 10 0 EKAERN Cc1ccc(OCC(=O)Nc2cccc(Cl)c2C)c(C(C)(C)C)c1 ZINC000005542200 210485223 /nfs/dbraw/zinc/48/52/23/210485223.db2.gz RDSZJUCOPRABHP-UHFFFAOYSA-N 0 0 345.870 5.272 10 0 EKAERN Cc1ccc(OCC(=O)Nc2ccccc2C(C)C)c(C(C)(C)C)c1 ZINC000005542211 210484405 /nfs/dbraw/zinc/48/44/05/210484405.db2.gz MVNLPRWOWJQPJB-UHFFFAOYSA-N 0 0 339.479 5.433 10 0 EKAERN CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCC1 ZINC000005550858 210485811 /nfs/dbraw/zinc/48/58/11/210485811.db2.gz ZJNVIVRSORGHEF-HZPDHXFCSA-N 0 0 342.523 6.821 10 0 EKAERN CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CCC1 ZINC000005551245 210486012 /nfs/dbraw/zinc/48/60/12/210486012.db2.gz ZJNVIVRSORGHEF-JKSUJKDBSA-N 0 0 342.523 6.821 10 0 EKAERN O=C(/C=C/c1ccccc1Cl)NC1CCCCCCCCCCC1 ZINC000005583241 210495594 /nfs/dbraw/zinc/49/55/94/210495594.db2.gz QDWJXXFYOAKDCW-WUKNDPDISA-N 0 0 347.930 6.143 10 0 EKAERN S=c1[nH]c2ccc(Br)cc2c(=S)n1-c1ccccc1 ZINC000005593766 210497514 /nfs/dbraw/zinc/49/75/14/210497514.db2.gz DQJMUJVIJWGDFF-UHFFFAOYSA-N 0 0 349.278 5.180 10 0 EKAERN Cc1ccc(C)c(-c2[nH]c(-c3ccccc3F)nc2-c2ccccc2)c1 ZINC000005634830 563543372 /nfs/dbraw/zinc/54/33/72/563543372.db2.gz CTYMXRUMTXJGMP-UHFFFAOYSA-N 0 0 342.417 6.167 10 0 EKAERN CCC[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C[C@H](C)[C@]4(C)[C@H]3CC[C@@]21C ZINC000005649138 201658272 /nfs/dbraw/zinc/65/82/72/201658272.db2.gz IMFNBOMNWHWKQD-MXENSADDSA-N 0 0 346.555 5.375 10 0 in-man EKAERN COc1ccc([C@@H]2C[C@@H](c3ccccc3)c3ccccc3S2)cc1 ZINC000005661673 201658696 /nfs/dbraw/zinc/65/86/96/201658696.db2.gz VDINMZZPNJMUJC-UNMCSNQZSA-N 0 0 332.468 6.064 10 0 EKAERN COc1ccc2c(c1)S[C@H](c1ccccc1)CC(c1ccccc1)=N2 ZINC000005661931 210511233 /nfs/dbraw/zinc/51/12/33/210511233.db2.gz CMKOXEDPROUYON-NRFANRHFSA-N 0 0 345.467 6.053 10 0 EKAERN COc1ccc2c(c1)S[C@@H](c1ccccc1)CC(c1ccccc1)=N2 ZINC000005661932 210511394 /nfs/dbraw/zinc/51/13/94/210511394.db2.gz CMKOXEDPROUYON-OAQYLSRUSA-N 0 0 345.467 6.053 10 0 EKAERN O=C(Nc1ccc(Nc2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000005672671 210512361 /nfs/dbraw/zinc/51/23/61/210512361.db2.gz NSUOCHNACFATHN-UHFFFAOYSA-N 0 0 346.474 5.585 10 0 EKAERN COc1c(Cl)ccc(Cl)c1C(=O)Nc1c(C)cc(C)cc1C ZINC000005697539 210519815 /nfs/dbraw/zinc/51/98/15/210519815.db2.gz UATBVMLULLRHSP-UHFFFAOYSA-N 0 0 338.234 5.180 10 0 EKAERN Cc1cc(OCC(=O)Nc2ccc(C(C)C)cc2)ccc1C(C)C ZINC000005697791 210518869 /nfs/dbraw/zinc/51/88/69/210518869.db2.gz YPHIYNLFNUSXJH-UHFFFAOYSA-N 0 0 325.452 5.259 10 0 EKAERN Cc1cc(OCC(=O)Nc2cccc(Cl)c2C)ccc1C(C)C ZINC000005697794 564019294 /nfs/dbraw/zinc/01/92/94/564019294.db2.gz XXQUHEGARPYGOG-UHFFFAOYSA-N 0 0 331.843 5.098 10 0 EKAERN CCCCOc1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000005707872 201660896 /nfs/dbraw/zinc/66/08/96/201660896.db2.gz SSGCPRGNZUSZKF-UHFFFAOYSA-N 0 0 338.234 5.425 10 0 EKAERN CCCn1c(-c2ccc3ccccc3c2)cs/c1=N\c1ccccc1 ZINC000005714862 563547014 /nfs/dbraw/zinc/54/70/14/563547014.db2.gz MEETVUCOVXSATB-FCQUAONHSA-N 0 0 344.483 6.012 10 0 EKAERN COC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc21 ZINC000005719955 563547000 /nfs/dbraw/zinc/54/70/00/563547000.db2.gz SMEMTWUJYPCJFL-UHFFFAOYSA-N 0 0 339.394 5.355 10 0 EKAERN C[C@H](C(=O)c1ccccc1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000005721707 210524320 /nfs/dbraw/zinc/52/43/20/210524320.db2.gz KIZUPPLQWSUEDH-VGSWGCGISA-N 0 0 332.468 6.039 10 0 EKAERN CC(C)c1ccccc1NC(=O)/C(=C/c1ccccc1)c1ccccc1 ZINC000005727538 201662113 /nfs/dbraw/zinc/66/21/13/201662113.db2.gz XSEIWPSGSLGFQW-OQKWZONESA-N 0 0 341.454 5.989 10 0 EKAERN Cc1ccc(-c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1 ZINC000005746758 201661618 /nfs/dbraw/zinc/66/16/18/201661618.db2.gz FVVJFZFOCZGSAE-UHFFFAOYSA-N 0 0 345.442 5.296 10 0 EKAERN Cc1ccc(/N=c2\scc(-c3ccc(Cl)s3)n2C)cc1C ZINC000005746847 563548766 /nfs/dbraw/zinc/54/87/66/563548766.db2.gz ZAVDEIRQIJWNNV-VLGSPTGOSA-N 0 0 334.897 5.318 10 0 EKAERN O=C(Cc1ccc(Cl)cc1)NC1CCCCCCCCCCC1 ZINC000005750463 201661910 /nfs/dbraw/zinc/66/19/10/201661910.db2.gz HDTVYAGUPQOMIU-UHFFFAOYSA-N 0 0 335.919 5.672 10 0 EKAERN Cc1ccc([C@@H]2C[C@H](c3ccccc3)Sc3c(C)cccc32)cc1 ZINC000005753051 210530719 /nfs/dbraw/zinc/53/07/19/210530719.db2.gz AJRSHRKCOCSRRX-FCHUYYIVSA-N 0 0 330.496 6.672 10 0 EKAERN Cc1ccc([C@H]2C[C@H](c3ccccc3)Sc3c(C)cccc32)cc1 ZINC000005753107 210530577 /nfs/dbraw/zinc/53/05/77/210530577.db2.gz AJRSHRKCOCSRRX-FGZHOGPDSA-N 0 0 330.496 6.672 10 0 EKAERN Cc1ccc(-c2ccc(OC(=O)/C=C/c3ccc(Cl)cc3)cc2)cc1 ZINC000005753334 201662344 /nfs/dbraw/zinc/66/23/44/201662344.db2.gz QUDLIQXQCMACPB-GIDUJCDVSA-N 0 0 348.829 5.934 10 0 EKAERN Cc1ccc(-c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1 ZINC000005753397 210529543 /nfs/dbraw/zinc/52/95/43/210529543.db2.gz ZETVZJBZUILACG-UHFFFAOYSA-N 0 0 345.442 5.296 10 0 EKAERN Cc1ccc(-c2csc(NC(=O)c3c(C)cc(C)cc3C)n2)cc1 ZINC000005753592 210530031 /nfs/dbraw/zinc/53/00/31/210530031.db2.gz WWFBJSHSNGJBDO-UHFFFAOYSA-N 0 0 336.460 5.296 10 0 EKAERN Cc1cccc2c1S[C@@](C)(c1ccccc1)C[C@H]2c1ccccc1 ZINC000005756090 210531676 /nfs/dbraw/zinc/53/16/76/210531676.db2.gz JKMBFQXXWMOZGT-JTHBVZDNSA-N 0 0 330.496 6.538 10 0 EKAERN Cc1cccc2c1S[C@](C)(c1ccccc1)C[C@H]2c1ccccc1 ZINC000005756094 210531065 /nfs/dbraw/zinc/53/10/65/210531065.db2.gz JKMBFQXXWMOZGT-GMAHTHKFSA-N 0 0 330.496 6.538 10 0 EKAERN CC(C)CCCCCOC(=O)CCC(=O)OCCCCCC(C)C ZINC000005758425 257701760 /nfs/dbraw/zinc/70/17/60/257701760.db2.gz MQKXWEJVDDRQKK-UHFFFAOYSA-N 0 0 342.520 5.286 10 0 EKAERN Clc1cc2oc3c(c2c(Cl)c1)c(Cl)c(Cl)cc3Cl ZINC000005784035 201662776 /nfs/dbraw/zinc/66/27/76/201662776.db2.gz IYGVHNHWORPMFU-UHFFFAOYSA-N 0 0 340.420 6.853 10 0 EKAERN CCCCCc1cc(OC)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 ZINC000005821115 210542547 /nfs/dbraw/zinc/54/25/47/210542547.db2.gz GRLARWXSTOXAGR-QZTJIDSGSA-N 0 0 328.496 6.039 10 0 EKAERN CC(C)=CCC[C@@]1(C)C=Cc2c3[nH]c4cc(O)c(C)cc4c3ccc2O1 ZINC000005845755 564056638 /nfs/dbraw/zinc/05/66/38/564056638.db2.gz WWXYBSVWYPHUPZ-QHCPKHFHSA-N 0 0 347.458 6.246 10 0 endogenous,in-man EKAERN CC(C)=CCC[C@@]1(C)C=Cc2c3[nH]c4cc(O)ccc4c3cc(C)c2O1 ZINC000005845767 564056654 /nfs/dbraw/zinc/05/66/54/564056654.db2.gz DWMBXHWBPZZCTN-QHCPKHFHSA-N 0 0 347.458 6.246 10 0 endogenous,in-man EKAERN CC(C)=CCc1c2c(ccc1O)[C@H]1COc3cc4occc4cc3[C@@H]1O2 ZINC000005854604 291015065 /nfs/dbraw/zinc/01/50/65/291015065.db2.gz VAVHXRDWDOYXSV-VGSWGCGISA-N 0 0 348.398 5.257 10 0 biogenic,in-vitro EKAERN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc2ccccc21 ZINC000005904753 210558145 /nfs/dbraw/zinc/55/81/45/210558145.db2.gz XIGKNLAEJZVWLO-UHFFFAOYSA-N 0 0 349.739 5.764 10 0 EKAERN CC(C)CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000005907318 210558124 /nfs/dbraw/zinc/55/81/24/210558124.db2.gz DUZCPXRDASBYGL-UHFFFAOYSA-N 0 0 329.252 5.102 10 0 EKAERN Cc1cccc(C(=N)Nc2nc(-c3ccccn3)cc3ccccc32)c1 ZINC000005931198 201361714 /nfs/dbraw/zinc/36/17/14/201361714.db2.gz IABRYYLROFPGTH-UHFFFAOYSA-N 0 0 338.414 5.043 10 0 EKAERN Cc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1ccccc1 ZINC000005931361 210561069 /nfs/dbraw/zinc/56/10/69/210561069.db2.gz OCTGKSHCZVWJBI-UHFFFAOYSA-N 0 0 334.369 5.338 10 0 EKAERN c1ccc(-c2ccc(-c3nnc(-c4ccc5ccccc5c4)o3)cc2)cc1 ZINC000005934585 210562138 /nfs/dbraw/zinc/56/21/38/210562138.db2.gz AASNQZPKNMLTHY-UHFFFAOYSA-N 0 0 348.405 6.224 10 0 EKAERN Cc1ccc(-c2cc(C(=O)Oc3ccccc3)c3ccccc3n2)cc1 ZINC000005942512 201668857 /nfs/dbraw/zinc/66/88/57/201668857.db2.gz QCUZWAMGKYRURB-UHFFFAOYSA-N 0 0 339.394 5.429 10 0 EKAERN CCCCCCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1 ZINC000005951198 210565851 /nfs/dbraw/zinc/56/58/51/210565851.db2.gz ZBTMBJPSGHWAHB-UHFFFAOYSA-N 0 0 325.452 5.515 10 0 EKAERN CCCCCCOc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000005951213 210565088 /nfs/dbraw/zinc/56/50/88/210565088.db2.gz WBPLZIOWCOMMJW-UHFFFAOYSA-N 0 0 339.435 5.101 10 0 EKAERN CCCCCCOc1ccc(C(=O)Nc2ccccc2C(C)C)cc1 ZINC000005951258 538558481 /nfs/dbraw/zinc/55/84/81/538558481.db2.gz TYPVCZUQJAXZLB-UHFFFAOYSA-N 0 0 339.479 6.021 10 0 EKAERN CCc1ccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 ZINC000005954370 210566344 /nfs/dbraw/zinc/56/63/44/210566344.db2.gz VODXPZJEBBVWAP-OQKWZONESA-N 0 0 327.427 5.428 10 0 EKAERN CCCCCC[C@](C)(CCCC)OC(=O)c1cnc(Cl)cn1 ZINC000005973150 210569570 /nfs/dbraw/zinc/56/95/70/210569570.db2.gz MWDHHFCRLCUIMN-KRWDZBQOSA-N 0 0 326.868 5.206 10 0 EKAERN Clc1ccccc1-c1c[nH]cc1[C@H](c1ccccc1)n1ccnc1 ZINC000005974673 201361954 /nfs/dbraw/zinc/36/19/54/201361954.db2.gz UIUQYKIPNAKHHU-FQEVSTJZSA-N 0 0 333.822 5.169 10 0 EKAERN CCCCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000006039812 201671727 /nfs/dbraw/zinc/67/17/27/201671727.db2.gz XTCDCKFUJPVBMS-UHFFFAOYSA-N 0 0 329.252 5.246 10 0 EKAERN CC(=O)CC/C=C(/C)CC[C@@H]1[C@@H](C)CC[C@@H]2C(C)(C)CCC[C@@]12C ZINC000006072952 563558700 /nfs/dbraw/zinc/55/87/00/563558700.db2.gz QKSODSWUZYYQJJ-JRNINOGKSA-N 0 0 332.572 6.961 10 0 EKAERN O=C(c1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1 ZINC000006116772 210592508 /nfs/dbraw/zinc/59/25/08/210592508.db2.gz JQMZFDMFXIPUSL-UHFFFAOYSA-N 0 0 334.418 6.252 10 0 EKAERN Cc1cc(OC(=O)c2ccc(C(C)(C)C)cc2)ccc1Br ZINC000006188997 201675386 /nfs/dbraw/zinc/67/53/86/201675386.db2.gz KWINKUAFDSRTMV-UHFFFAOYSA-N 0 0 347.252 5.274 10 0 EKAERN CC(C)c1ccccc1OCC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000006214120 564082987 /nfs/dbraw/zinc/08/29/87/564082987.db2.gz QHYWFTYJIYAMBM-UHFFFAOYSA-N 0 0 325.452 5.125 10 0 EKAERN CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000006214518 210600483 /nfs/dbraw/zinc/60/04/83/210600483.db2.gz JOVHVFVPCSMCBZ-UHFFFAOYSA-N 0 0 329.443 5.903 10 0 EKAERN CC[C@@H](O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000006224787 206513829 /nfs/dbraw/zinc/51/38/29/206513829.db2.gz CXTQTYOWLRLXIL-OAQYLSRUSA-N 0 0 348.442 5.288 10 0 in-vitro EKAERN O=C(CCc1ccccc1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000006227631 210603208 /nfs/dbraw/zinc/60/32/08/210603208.db2.gz NYOZLLCGRXTLAQ-UHFFFAOYSA-N 0 0 342.851 5.035 10 0 EKAERN Cc1cc2sc(NC(=O)/C=C/c3ccccc3Cl)nc2c(C)c1 ZINC000006273527 210609950 /nfs/dbraw/zinc/60/99/50/210609950.db2.gz NMWIMDWBZHXWQT-BQYQJAHWSA-N 0 0 342.851 5.218 10 0 EKAERN CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000006396727 210627858 /nfs/dbraw/zinc/62/78/58/210627858.db2.gz IDJKVEVARVYGRQ-UHFFFAOYSA-N 0 0 338.451 5.191 10 0 EKAERN CCc1sc(NC(=O)/C(C)=C/c2ccccc2)nc1-c1ccccc1 ZINC000006397825 201680440 /nfs/dbraw/zinc/68/04/40/201680440.db2.gz VIHXSJKMZDIXLZ-CCEZHUSRSA-N 0 0 348.471 5.415 10 0 EKAERN C[C@H](NC(=O)/C(=C\c1ccccc1)c1ccccc1)c1ccccc1 ZINC000006470923 210638410 /nfs/dbraw/zinc/63/84/10/210638410.db2.gz BKWURTBLCJUGEI-LSOGNMMWSA-N 0 0 327.427 5.105 10 0 EKAERN O=C(Nc1ccc(Sc2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000006475742 210637750 /nfs/dbraw/zinc/63/77/50/210637750.db2.gz JHOUWBJZPMWXIQ-UHFFFAOYSA-N 0 0 339.847 5.744 10 0 EKAERN C[C@@H]1CCc2c(sc3ncnc(Oc4ccc(F)c(Cl)c4)c32)C1 ZINC000006586518 210659951 /nfs/dbraw/zinc/65/99/51/210659951.db2.gz ZFPSPXNSFUZCHI-SECBINFHSA-N 0 0 348.830 5.401 10 0 EKAERN C[C@H]1CCc2c(sc3ncnc(Oc4ccc(F)c(Cl)c4)c32)C1 ZINC000006587960 210659208 /nfs/dbraw/zinc/65/92/08/210659208.db2.gz ZFPSPXNSFUZCHI-VIFPVBQESA-N 0 0 348.830 5.401 10 0 EKAERN O=C(Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1)C1CC1 ZINC000006774967 210707448 /nfs/dbraw/zinc/70/74/48/210707448.db2.gz ZYLIRDRYGMIIEE-UHFFFAOYSA-N 0 0 347.201 5.150 10 0 EKAERN Cc1cccc2oc(-c3ccc(NC(=O)c4ccccc4F)cc3)nc21 ZINC000006775999 210708767 /nfs/dbraw/zinc/70/87/67/210708767.db2.gz OEOUUWUGCZIRMT-UHFFFAOYSA-N 0 0 346.361 5.195 10 0 EKAERN CC[C@@H](C)NC(=O)c1[nH]c2ccccc2c1Sc1ccc(C)cc1 ZINC000006798745 564098095 /nfs/dbraw/zinc/09/80/95/564098095.db2.gz FROLKOQXUBDCGY-CQSZACIVSA-N 0 0 338.476 5.156 10 0 EKAERN CC[C@H](C)NC(=O)c1[nH]c2ccccc2c1Sc1ccc(C)cc1 ZINC000006798746 564098110 /nfs/dbraw/zinc/09/81/10/564098110.db2.gz FROLKOQXUBDCGY-AWEZNQCLSA-N 0 0 338.476 5.156 10 0 EKAERN COc1ccc(-c2nc(Cc3c[nH]c4ccccc34)sc2C)cc1 ZINC000006810050 564098508 /nfs/dbraw/zinc/09/85/08/564098508.db2.gz FEFCAKVJUZCZKV-UHFFFAOYSA-N 0 0 334.444 5.199 10 0 EKAERN Cc1cc(C)c2nc(SCc3cccc4ccccc43)cc(C)c2c1 ZINC000006862500 201703192 /nfs/dbraw/zinc/70/31/92/201703192.db2.gz ZCXVRXPVEOIEHF-UHFFFAOYSA-N 0 0 343.495 6.606 10 0 EKAERN Cc1nnc(SCc2cccc(Cl)c2)c2cc3sccc3n21 ZINC000006893859 564100923 /nfs/dbraw/zinc/10/09/23/564100923.db2.gz JHGBMPWQTKPCNN-UHFFFAOYSA-N 0 0 345.880 5.198 10 0 EKAERN C[C@@H](NC(=O)c1ccccc1Cl)c1ccc(Cl)cc1Cl ZINC000007407725 210796398 /nfs/dbraw/zinc/79/63/98/210796398.db2.gz LTPBDQZPGBCTLU-SECBINFHSA-N 0 0 328.626 5.138 10 0 EKAERN Cc1ccc(-c2csc(NC(=O)c3cc4ccccc4o3)n2)cc1C ZINC000007613669 518188115 /nfs/dbraw/zinc/18/81/15/518188115.db2.gz WAGYRAQTKNCZEI-UHFFFAOYSA-N 0 0 348.427 5.425 10 0 EKAERN CCCCOc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000007649625 210825169 /nfs/dbraw/zinc/82/51/69/210825169.db2.gz KSUKIETZYJHVEJ-UHFFFAOYSA-N 0 0 325.452 5.415 10 0 EKAERN Cc1c(Cl)cccc1NC(=O)[C@H](C)Oc1ccc(C(C)C)cc1 ZINC000008108894 210895698 /nfs/dbraw/zinc/89/56/98/210895698.db2.gz UXOSOAZIUKBNNC-AWEZNQCLSA-N 0 0 331.843 5.178 10 0 EKAERN CC(C)[C@H]1CC[C@H](C)C[C@H]1N(Cc1ccccc1)C(=O)c1ccccc1 ZINC000008637097 563633942 /nfs/dbraw/zinc/63/39/42/563633942.db2.gz DJQHSGXNDXYBBS-WWPVKYPJSA-N 0 0 349.518 5.790 10 0 EKAERN CC(C)[C@@H]1CC[C@H](C)C[C@H]1N(Cc1ccccc1)C(=O)c1ccccc1 ZINC000008637099 563633936 /nfs/dbraw/zinc/63/39/36/563633936.db2.gz DJQHSGXNDXYBBS-AJSBUHFISA-N 0 0 349.518 5.790 10 0 EKAERN Clc1ccccc1Cn1c(Cc2cccs2)nc2ccccc21 ZINC000008786995 211007671 /nfs/dbraw/zinc/00/76/71/211007671.db2.gz XOCKGALKGGDWLF-UHFFFAOYSA-N 0 0 338.863 5.390 10 0 EKAERN Clc1ccc(Cn2c(Cc3cccs3)nc3ccccc32)cc1 ZINC000008786997 211007795 /nfs/dbraw/zinc/00/77/95/211007795.db2.gz FAGPBLOHIPNZED-UHFFFAOYSA-N 0 0 338.863 5.390 10 0 EKAERN CC(C)c1ccc(Cn2c(Cc3cccs3)nc3ccccc32)cc1 ZINC000008787004 211008096 /nfs/dbraw/zinc/00/80/96/211008096.db2.gz JXUKTAYRUMBBBP-UHFFFAOYSA-N 0 0 346.499 5.860 10 0 EKAERN Cc1ccc(OCCn2c(Cc3cccs3)nc3ccccc32)cc1 ZINC000008787062 211008120 /nfs/dbraw/zinc/00/81/20/211008120.db2.gz POXVDWUKZBKZKV-UHFFFAOYSA-N 0 0 348.471 5.076 10 0 EKAERN C(=C/c1ccccc1)\Cn1c(Cc2cccs2)nc2ccccc21 ZINC000008787117 211007650 /nfs/dbraw/zinc/00/76/50/211007650.db2.gz LJCPGYNEQGUOCP-UXBLZVDNSA-N 0 0 330.456 5.402 10 0 EKAERN c1csc(Cc2nc3ccccc3n2CCCc2ccccc2)c1 ZINC000008787118 211007489 /nfs/dbraw/zinc/00/74/89/211007489.db2.gz FDKATBZDUWPOJS-UHFFFAOYSA-N 0 0 332.472 5.321 10 0 EKAERN CC(C)c1ccc(Cn2c3ccccc3nc2-c2ccc(F)cc2)cc1 ZINC000008787298 211007280 /nfs/dbraw/zinc/00/72/80/211007280.db2.gz HLUXBXKSXHVNJG-UHFFFAOYSA-N 0 0 344.433 6.014 10 0 EKAERN Fc1ccc(-c2nc3ccccc3n2Cc2ccccc2Cl)cc1 ZINC000008787305 211007248 /nfs/dbraw/zinc/00/72/48/211007248.db2.gz IQEVEKWKJHUTRK-UHFFFAOYSA-N 0 0 336.797 5.544 10 0 EKAERN Fc1ccc(-c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 ZINC000008787307 211008069 /nfs/dbraw/zinc/00/80/69/211008069.db2.gz PVNRABJXKBQFDP-UHFFFAOYSA-N 0 0 336.797 5.544 10 0 EKAERN Fc1ccc(-c2nc3ccccc3n2Cc2cccc(Cl)c2)cc1 ZINC000008787309 211007603 /nfs/dbraw/zinc/00/76/03/211007603.db2.gz KSPLWGSWFZLVKQ-UHFFFAOYSA-N 0 0 336.797 5.544 10 0 EKAERN Cc1ccccc1OCCn1c2ccccc2nc1-c1ccc(F)cc1 ZINC000008787372 211008217 /nfs/dbraw/zinc/00/82/17/211008217.db2.gz DAXBPGUUBWNPCN-UHFFFAOYSA-N 0 0 346.405 5.230 10 0 EKAERN Cc1cccc(OCCn2c3ccccc3nc2-c2ccc(F)cc2)c1 ZINC000008787385 211007519 /nfs/dbraw/zinc/00/75/19/211007519.db2.gz VHFIHQCYQFZMEZ-UHFFFAOYSA-N 0 0 346.405 5.230 10 0 EKAERN Cc1ccc(OCCn2c3ccccc3nc2-c2ccc(F)cc2)cc1 ZINC000008787392 211007232 /nfs/dbraw/zinc/00/72/32/211007232.db2.gz IRSSLGUYFKZGDF-UHFFFAOYSA-N 0 0 346.405 5.230 10 0 EKAERN Cc1ccccc1OCCn1c2ccccc2nc1-c1ccccc1F ZINC000008787402 211007388 /nfs/dbraw/zinc/00/73/88/211007388.db2.gz COIRIQYFEGAAKD-UHFFFAOYSA-N 0 0 346.405 5.230 10 0 EKAERN Cc1cccc(OCCn2c3ccccc3nc2-c2ccccc2F)c1 ZINC000008787415 211007203 /nfs/dbraw/zinc/00/72/03/211007203.db2.gz MNZFHMIIFRPWFM-UHFFFAOYSA-N 0 0 346.405 5.230 10 0 EKAERN Fc1ccccc1-c1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000008787484 211007675 /nfs/dbraw/zinc/00/76/75/211007675.db2.gz WXYLMGLKZQXGOF-UHFFFAOYSA-N 0 0 336.797 5.544 10 0 EKAERN Fc1ccccc1-c1nc2ccccc2n1Cc1cccc(Cl)c1 ZINC000008787486 211008317 /nfs/dbraw/zinc/00/83/17/211008317.db2.gz WYFXPDAHYRLLMF-UHFFFAOYSA-N 0 0 336.797 5.544 10 0 EKAERN CC(C)c1ccc(Cn2c3ccccc3nc2-c2ccccc2F)cc1 ZINC000008787491 211007654 /nfs/dbraw/zinc/00/76/54/211007654.db2.gz WTKSZKHQKIKPDH-UHFFFAOYSA-N 0 0 344.433 6.014 10 0 EKAERN Cc1ccc(C)c(Cn2c3ccccc3nc2-c2ccccc2F)c1 ZINC000008787495 211008125 /nfs/dbraw/zinc/00/81/25/211008125.db2.gz ANBMREMIZOUUDC-UHFFFAOYSA-N 0 0 330.406 5.508 10 0 EKAERN Fc1ccccc1-c1nc2ccccc2n1CCCOc1ccccc1 ZINC000008787501 201762327 /nfs/dbraw/zinc/76/23/27/201762327.db2.gz TVOPUYAXEPPYPX-UHFFFAOYSA-N 0 0 346.405 5.312 10 0 EKAERN C[C@@H]1C[C@H](C)CN(C(=O)c2cc3c(s2)-c2ccccc2SC3)C1 ZINC000008912523 211016515 /nfs/dbraw/zinc/01/65/15/211016515.db2.gz OKCAEDULJBHHBP-BETUJISGSA-N 0 0 343.517 5.139 10 0 EKAERN C[C@H]1C[C@H](C)CN(C(=O)c2cc3c(s2)-c2ccccc2SC3)C1 ZINC000008912524 211017174 /nfs/dbraw/zinc/01/71/74/211017174.db2.gz OKCAEDULJBHHBP-STQMWFEESA-N 0 0 343.517 5.139 10 0 EKAERN C[C@@H]1C[C@@H](C)CN(C(=O)c2cc3c(s2)-c2ccccc2SC3)C1 ZINC000008912525 211017238 /nfs/dbraw/zinc/01/72/38/211017238.db2.gz OKCAEDULJBHHBP-CHWSQXEVSA-N 0 0 343.517 5.139 10 0 EKAERN Clc1ccc(CSc2ccc(-c3ccccn3)nn2)c(Cl)c1 ZINC000009471670 211088039 /nfs/dbraw/zinc/08/80/39/211088039.db2.gz LQFKLAAMBIGRHE-UHFFFAOYSA-N 0 0 348.258 5.138 10 0 EKAERN O=C(CCCSc1ccccc1)Nc1cccc(Cl)c1Cl ZINC000009473384 211087169 /nfs/dbraw/zinc/08/71/69/211087169.db2.gz AKWGDBSDLWAVFU-UHFFFAOYSA-N 0 0 340.275 5.504 10 0 EKAERN Cc1cccc(Cl)c1NC(=O)c1ccccc1Nc1ccccc1 ZINC000010151690 211150559 /nfs/dbraw/zinc/15/05/59/211150559.db2.gz ZFTVSLXIKSCZFM-UHFFFAOYSA-N 0 0 336.822 5.644 10 0 EKAERN CC(C)=CCC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CCC(C)=O ZINC000011616559 211226533 /nfs/dbraw/zinc/22/65/33/211226533.db2.gz HUCXKZBETONXFO-QOJIUWDUSA-N 0 0 330.556 7.501 10 0 in-man EKAERN CC(C)=CCC/C(C)=C\CC/C(C)=C/CC/C(C)=C\CCC(C)=O ZINC000011616561 211227024 /nfs/dbraw/zinc/22/70/24/211227024.db2.gz HUCXKZBETONXFO-JUGGWLNESA-N 0 0 330.556 7.501 10 0 EKAERN Cc1cc(C)cc(OCCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000011637485 211228624 /nfs/dbraw/zinc/22/86/24/211228624.db2.gz CSODNVNXAKVRQW-UHFFFAOYSA-N 0 0 338.234 5.018 10 0 EKAERN Cc1cc(C)cc(OCCC(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000011637486 211227626 /nfs/dbraw/zinc/22/76/26/211227626.db2.gz ZQDLIJVGQKJHGB-UHFFFAOYSA-N 0 0 338.234 5.018 10 0 EKAERN Cc1cc(C)cc(OCCC(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000011637487 211228163 /nfs/dbraw/zinc/22/81/63/211228163.db2.gz IWVFNMZORFESEK-UHFFFAOYSA-N 0 0 338.234 5.018 10 0 EKAERN Cc1ccc(Nc2nc(Cl)nc3ccccc32)cc1Br ZINC000011756244 211244902 /nfs/dbraw/zinc/24/49/02/211244902.db2.gz MAMSAGISCZHIQA-UHFFFAOYSA-N 0 0 348.631 5.098 10 0 EKAERN Clc1nc2ccccc2c(Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000011756310 211245312 /nfs/dbraw/zinc/24/53/12/211245312.db2.gz FCUSFJLEWYXGIP-UHFFFAOYSA-N 0 0 347.805 5.819 10 0 EKAERN Clc1nc2ccccc2c(Sc2nc3ccccc3s2)n1 ZINC000011756790 211244823 /nfs/dbraw/zinc/24/48/23/211244823.db2.gz LJWKUGYXJNCRBO-UHFFFAOYSA-N 0 0 329.837 5.044 10 0 EKAERN Cc1cccc(CN2CCc3c4ccccc4[nH]c3[C@@H]2C(C)(C)C)n1 ZINC000011821473 211252800 /nfs/dbraw/zinc/25/28/00/211252800.db2.gz PHFRDVRIYGMOQT-OAQYLSRUSA-N 0 0 333.479 5.017 10 0 EKAERN Cc1cccc(CN2CCc3c4ccccc4[nH]c3[C@H]2C(C)(C)C)n1 ZINC000011821474 211251620 /nfs/dbraw/zinc/25/16/20/211251620.db2.gz PHFRDVRIYGMOQT-NRFANRHFSA-N 0 0 333.479 5.017 10 0 EKAERN O=C(c1ccco1)N1CCc2c3ccccc3[nH]c2[C@@H]1C1CCCCC1 ZINC000011873204 211260746 /nfs/dbraw/zinc/26/07/46/211260746.db2.gz DNMKWSDIQNFMIH-NRFANRHFSA-N 0 0 348.446 5.081 10 0 EKAERN O=C(c1ccco1)N1CCc2c3ccccc3[nH]c2[C@H]1C1CCCCC1 ZINC000011873205 211261523 /nfs/dbraw/zinc/26/15/23/211261523.db2.gz DNMKWSDIQNFMIH-OAQYLSRUSA-N 0 0 348.446 5.081 10 0 EKAERN CCc1ccc(-c2csc3ncnc(Nc4cccc(C)c4)c23)cc1 ZINC000012084614 211287876 /nfs/dbraw/zinc/28/78/76/211287876.db2.gz TWNNNKXPASEOKB-UHFFFAOYSA-N 0 0 345.471 5.973 10 0 EKAERN CCc1ccc(-c2csc3ncnc(Nc4ccc(C)cc4)c23)cc1 ZINC000012084615 211288675 /nfs/dbraw/zinc/28/86/75/211288675.db2.gz AZCVKVGLXWUKRJ-UHFFFAOYSA-N 0 0 345.471 5.973 10 0 EKAERN Cc1ccc(-c2csc3ncnc(Nc4cccc(O)c4)c23)cc1C ZINC000012084727 211287788 /nfs/dbraw/zinc/28/77/88/211287788.db2.gz FEPSKFOPIWKFCW-UHFFFAOYSA-N 0 0 347.443 5.424 10 0 EKAERN Fc1cccc(Cl)c1CSc1nc(-c2ccccc2)cs1 ZINC000012129571 201826912 /nfs/dbraw/zinc/82/69/12/201826912.db2.gz IKWWUURWMAVEEU-UHFFFAOYSA-N 0 0 335.856 5.895 10 0 EKAERN Cc1ccccc1CSc1nc(-c2ccc(Cl)cc2)cs1 ZINC000012129680 211301689 /nfs/dbraw/zinc/30/16/89/211301689.db2.gz OTFHVZWZZGQTLA-UHFFFAOYSA-N 0 0 331.893 6.064 10 0 EKAERN Fc1ccccc1CSc1nc(-c2ccc(Cl)cc2)cs1 ZINC000012129692 211302143 /nfs/dbraw/zinc/30/21/43/211302143.db2.gz NBUKNAAVNAINKU-UHFFFAOYSA-N 0 0 335.856 5.895 10 0 EKAERN CCc1ccc(-c2csc3ncnc(Nc4ccc(F)cc4)c23)cc1 ZINC000012130703 211302120 /nfs/dbraw/zinc/30/21/20/211302120.db2.gz LESSVASTJOQNAM-UHFFFAOYSA-N 0 0 349.434 5.803 10 0 EKAERN Cc1ccc(-c2csc3ncnc(Nc4ccccc4F)c23)cc1C ZINC000012131891 211302249 /nfs/dbraw/zinc/30/22/49/211302249.db2.gz WCOGPGFUJSUMBH-UHFFFAOYSA-N 0 0 349.434 5.858 10 0 EKAERN Fc1ccc([C@@H]2CCN(CC3CC3)c3ccccc3S2)cc1F ZINC000012152323 564026396 /nfs/dbraw/zinc/02/63/96/564026396.db2.gz GTGOGKFFLLDBCP-SFHVURJKSA-N 0 0 331.431 5.418 10 0 EKAERN Fc1ccc([C@H]2CCN(CC3CC3)c3ccccc3S2)cc1F ZINC000012152324 211308933 /nfs/dbraw/zinc/30/89/33/211308933.db2.gz GTGOGKFFLLDBCP-GOSISDBHSA-N 0 0 331.431 5.418 10 0 EKAERN CC(C)(C)[C@@H]1c2[nH]c3ccccc3c2CCN1CCCC(F)(F)F ZINC000012297448 211334593 /nfs/dbraw/zinc/33/45/93/211334593.db2.gz FYXXBNDKEPFIER-KRWDZBQOSA-N 0 0 338.417 5.456 10 0 EKAERN O=C(/C=C/c1cccc2ccccc12)Nc1cccc(Cl)c1Cl ZINC000012403287 211368860 /nfs/dbraw/zinc/36/88/60/211368860.db2.gz UMMGRWVMTUKKMB-VAWYXSNFSA-N 0 0 342.225 5.799 10 0 EKAERN Cc1cccc(CN2CCc3c4ccccc4[nH]c3[C@@H]2CC(C)C)n1 ZINC000012448279 202143601 /nfs/dbraw/zinc/14/36/01/202143601.db2.gz QHMQAJKQNLVVLL-NRFANRHFSA-N 0 0 333.479 5.017 10 0 EKAERN Cc1cccc(CN2CCc3c4ccccc4[nH]c3[C@H]2CC(C)C)n1 ZINC000012448280 211386639 /nfs/dbraw/zinc/38/66/39/211386639.db2.gz QHMQAJKQNLVVLL-OAQYLSRUSA-N 0 0 333.479 5.017 10 0 EKAERN CCNC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C ZINC000012504028 211394895 /nfs/dbraw/zinc/39/48/95/211394895.db2.gz WKYDOCGICAMTKE-NBIQJRODSA-N 0 0 327.512 5.654 10 0 in-vivo EKAERN Clc1ccc(C[C@@H](Cn2ccnc2)c2ccccc2Cl)cc1 ZINC000012948792 201365038 /nfs/dbraw/zinc/36/50/38/201365038.db2.gz BWJJILLEXQJLOI-HNNXBMFYSA-N 0 0 331.246 5.216 10 0 EKAERN Cc1cccc(Oc2ccc(NCc3nc4ccccc4[nH]3)cc2)c1 ZINC000013207508 201364662 /nfs/dbraw/zinc/36/46/62/201364662.db2.gz DLCMOVLJBNSOCB-UHFFFAOYSA-N 0 0 329.403 5.276 10 0 EKAERN COc1cccc2c(-c3ccc(O)c4c(OC)cccc34)ccc(O)c12 ZINC000013377011 201057357 /nfs/dbraw/zinc/05/73/57/201057357.db2.gz PJIHOMLREDSYPG-UHFFFAOYSA-N 0 0 346.382 5.088 10 0 EKAERN CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(OC)c1 ZINC000013383007 201057260 /nfs/dbraw/zinc/05/72/60/201057260.db2.gz KASVLYINZPAMNS-QGOAFFKASA-N 0 0 330.512 6.369 10 0 EKAERN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1NC(=O)c1c(Cl)cccc1Cl ZINC000013465751 211561950 /nfs/dbraw/zinc/56/19/50/211561950.db2.gz SFTIRRHUYMDLOA-HUBLWGQQSA-N 0 0 328.283 5.184 10 0 EKAERN CC(C)[C@H]1CC[C@H](C)C[C@@H]1NC(=O)c1c(Cl)cccc1Cl ZINC000013465753 563698798 /nfs/dbraw/zinc/69/87/98/563698798.db2.gz SFTIRRHUYMDLOA-ZOWXZIJZSA-N 0 0 328.283 5.184 10 0 EKAERN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1N(Cc1ccccc1)C(=O)c1ccccc1 ZINC000013465847 563698914 /nfs/dbraw/zinc/69/89/14/563698914.db2.gz DJQHSGXNDXYBBS-VJBMBRPKSA-N 0 0 349.518 5.790 10 0 EKAERN CC(C)[C@H]1CC[C@H](C)C[C@@H]1N(Cc1ccccc1)C(=O)c1ccccc1 ZINC000013465849 211561436 /nfs/dbraw/zinc/56/14/36/211561436.db2.gz DJQHSGXNDXYBBS-PMOQBDJRSA-N 0 0 349.518 5.790 10 0 EKAERN O=c1cc(C2CCCCCCCCCCC2)oc2ccc(O)cc12 ZINC000013529647 211571450 /nfs/dbraw/zinc/57/14/50/211571450.db2.gz VNKAEPLZYHWLBK-UHFFFAOYSA-N 0 0 328.452 5.887 10 0 EKAERN CCOc1c2ccoc2cc2oc(/C=C/c3ccccc3)cc(=O)c21 ZINC000013672010 211604352 /nfs/dbraw/zinc/60/43/52/211604352.db2.gz TZRUAYHMQMKKLT-CMDGGOBGSA-N 0 0 332.355 5.108 10 0 in-vivo EKAERN CCc1nc(-c2cccc(C)c2)c(-c2ccnc(N3CCCC3)c2)s1 ZINC000013673397 211603709 /nfs/dbraw/zinc/60/37/09/211603709.db2.gz COPUEWHBPUCYBW-UHFFFAOYSA-N 0 0 349.503 5.343 10 0 EKAERN FC(F)(F)c1ccc(NC(=S)Nc2cccc(Cl)c2)cc1 ZINC000013747938 211631625 /nfs/dbraw/zinc/63/16/25/211631625.db2.gz DIWBFYPELNFPFY-UHFFFAOYSA-N 0 0 330.762 5.168 10 0 EKAERN CC(C)c1ccc(NC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000013747947 211631751 /nfs/dbraw/zinc/63/17/51/211631751.db2.gz AYYTZHFGWKAZPQ-UHFFFAOYSA-N 0 0 338.398 5.638 10 0 EKAERN Cc1ccc(C(=N)Nc2nc(-c3ccccn3)cc3ccccc32)cc1 ZINC000013781352 201366315 /nfs/dbraw/zinc/36/63/15/201366315.db2.gz YHOZRVVIEBSKIN-UHFFFAOYSA-N 0 0 338.414 5.043 10 0 EKAERN Cc1c(Cl)cccc1NC(=S)Nc1cc(Cl)ccc1Cl ZINC000013788121 201915612 /nfs/dbraw/zinc/91/56/12/201915612.db2.gz WYENPZDOLOGBMF-UHFFFAOYSA-N 0 0 345.682 5.764 10 0 EKAERN CC(C)(C)c1ccccc1NC(=S)Nc1ccc(F)c(Cl)c1 ZINC000013793952 211639694 /nfs/dbraw/zinc/63/96/94/211639694.db2.gz IDRDWVLGUBACBO-UHFFFAOYSA-N 0 0 336.863 5.586 10 0 EKAERN COc1ccc2nc(-c3cccc(OCc4ccccc4)c3)sc2c1 ZINC000013831167 211646944 /nfs/dbraw/zinc/64/69/44/211646944.db2.gz RTZFESNHUGJJOG-UHFFFAOYSA-N 0 0 347.439 5.551 10 0 EKAERN CC(C)c1ccc(O[C@@H](C)C(=O)Nc2cccc3ccccc32)cc1 ZINC000014040010 211674486 /nfs/dbraw/zinc/67/44/86/211674486.db2.gz DGBFBSQLBJJQKL-INIZCTEOSA-N 0 0 333.431 5.369 10 0 EKAERN Brc1cccc(CSc2nc3ccccc3s2)c1 ZINC000014067203 211675375 /nfs/dbraw/zinc/67/53/75/211675375.db2.gz HKEAZSIITMSMCJ-UHFFFAOYSA-N 0 0 336.279 5.351 10 0 EKAERN CC(=O)OC/C=C(C)/C=C/C=C(C)\C=C\C1=C(C)CCCC1(C)C ZINC000014685555 564135703 /nfs/dbraw/zinc/13/57/03/564135703.db2.gz QGNJRVVDBSJHIZ-AQDFTDIISA-N 0 0 328.496 6.081 10 0 endogenous,investigational EKAERN CCCCC/C=C\C/C=C\CCCc1cc(=O)c2ccccc2n1C ZINC000014772468 291015706 /nfs/dbraw/zinc/01/57/06/291015706.db2.gz JYQCHQIQAURYAG-NQLNTKRDSA-N 0 0 337.507 5.944 10 0 biogenic,in-vitro EKAERN S=C(Nc1ccccc1)Nc1ccccc1OCc1ccccc1 ZINC000014784160 211764481 /nfs/dbraw/zinc/76/44/81/211764481.db2.gz DLPJEHAHICVIHE-UHFFFAOYSA-N 0 0 334.444 5.075 10 0 EKAERN CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C ZINC000014974952 564167461 /nfs/dbraw/zinc/16/74/61/564167461.db2.gz ZSEJGVQTBLJRCQ-UHFFFAOYSA-N 0 0 327.468 5.983 10 0 in-vivo EKAERN CC(C)(C)c1ccc(/C=C2\SC(=N)N(c3ccccc3)C2=O)cc1 ZINC000015052845 211792495 /nfs/dbraw/zinc/79/24/95/211792495.db2.gz IQQSFUPTYCBYCU-FZECDQFNSA-N 0 0 336.460 5.040 10 0 EKAERN CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(C)cc1O ZINC000015263983 211810841 /nfs/dbraw/zinc/81/08/41/211810841.db2.gz PZHNKNRPGLTZPO-VZRGJMDUSA-N 0 0 328.496 6.368 10 0 endogenous,in-man EKAERN C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1Cl ZINC000016017664 211876051 /nfs/dbraw/zinc/87/60/51/211876051.db2.gz DNGTVRIRLCDIOB-SECBINFHSA-N 0 0 328.626 5.138 10 0 EKAERN Cc1ccc(NC(=S)Nc2cccc3c(O)cccc23)cc1Cl ZINC000016187727 201973198 /nfs/dbraw/zinc/97/31/98/201973198.db2.gz NIUUADSKOVOYHJ-UHFFFAOYSA-N 0 0 342.851 5.316 10 0 EKAERN CCc1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1ccccc1 ZINC000016857673 211937928 /nfs/dbraw/zinc/93/79/28/211937928.db2.gz YFZRKJDRSQBAFB-UHFFFAOYSA-N 0 0 336.438 6.040 10 0 EKAERN Cc1ccccc1NC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000016890231 211938205 /nfs/dbraw/zinc/93/82/05/211938205.db2.gz AEZJAWIABHXOLU-UHFFFAOYSA-N 0 0 343.839 5.416 10 0 EKAERN Nc1cccc(Cl)c1Oc1ccc(Cl)cc1Br ZINC000019230448 212007032 /nfs/dbraw/zinc/00/70/32/212007032.db2.gz VZOSTHOGZIFDGP-UHFFFAOYSA-N 0 0 333.012 5.130 10 0 EKAERN C[C@@H](Nc1ccc(Cl)cc1Cl)c1cccc(Br)c1 ZINC000019230496 212007327 /nfs/dbraw/zinc/00/73/27/212007327.db2.gz CDPVDXWOZQISBZ-SECBINFHSA-N 0 0 345.067 5.929 10 0 EKAERN C[C@H](Nc1ccc(Cl)cc1Cl)c1cccc(Br)c1 ZINC000019230497 212007690 /nfs/dbraw/zinc/00/76/90/212007690.db2.gz CDPVDXWOZQISBZ-VIFPVBQESA-N 0 0 345.067 5.929 10 0 EKAERN C[C@@H](Nc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 ZINC000019232454 202001248 /nfs/dbraw/zinc/00/12/48/202001248.db2.gz TUBIMQXOQASSGA-SECBINFHSA-N 0 0 345.067 5.929 10 0 EKAERN Clc1ccc([C@@H]2N(Cc3ccccc3)CC[C@@H]3CCCCN23)cc1 ZINC000019324263 202004529 /nfs/dbraw/zinc/00/45/29/202004529.db2.gz QVXUFKFRUBHNBC-LEWJYISDSA-N 0 0 340.898 5.099 10 0 EKAERN Clc1ccc([C@@H]2N(Cc3ccccc3)CC[C@H]3CCCCN32)cc1 ZINC000019324265 212015405 /nfs/dbraw/zinc/01/54/05/212015405.db2.gz QVXUFKFRUBHNBC-NHCUHLMSSA-N 0 0 340.898 5.099 10 0 EKAERN Clc1ccc([C@H]2N(Cc3ccccc3)CC[C@@H]3CCCCN32)cc1 ZINC000019324691 212017242 /nfs/dbraw/zinc/01/72/42/212017242.db2.gz QVXUFKFRUBHNBC-SFTDATJTSA-N 0 0 340.898 5.099 10 0 EKAERN Cc1c(Br)c(-c2ccc(Cl)s2)nc2ccccc12 ZINC000019413808 202006873 /nfs/dbraw/zinc/00/68/73/202006873.db2.gz SWOGTQAHDFRFBY-UHFFFAOYSA-N 0 0 338.657 5.688 10 0 EKAERN Fc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccoc2)cc1 ZINC000019535003 212039901 /nfs/dbraw/zinc/03/99/01/212039901.db2.gz ZNXMBDFSVCVSTI-QFIPXVFZSA-N 0 0 346.405 5.048 10 0 EKAERN Fc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccoc2)cc1 ZINC000019535005 212039457 /nfs/dbraw/zinc/03/94/57/212039457.db2.gz ZNXMBDFSVCVSTI-JOCHJYFZSA-N 0 0 346.405 5.048 10 0 EKAERN Nc1sc2c(c1C(=O)c1ccc(-c3ccccc3)cc1)CCCC2 ZINC000019776250 212065169 /nfs/dbraw/zinc/06/51/69/212065169.db2.gz BGUCUKDRZLFIFX-UHFFFAOYSA-N 0 0 333.456 5.107 10 0 EKAERN Cc1sc(N)c(C(=O)c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000019776363 212065954 /nfs/dbraw/zinc/06/59/54/212065954.db2.gz XTJWHMPVEBECBN-UHFFFAOYSA-N 0 0 327.836 5.190 10 0 EKAERN O=Cc1ccc(Oc2ccc(NC(=O)OCc3ccccc3)cc2)cc1 ZINC000019795373 212068570 /nfs/dbraw/zinc/06/85/70/212068570.db2.gz AMUVGYIPYWSUBN-UHFFFAOYSA-N 0 0 347.370 5.040 10 0 EKAERN O=Cc1ccc(Oc2cccc(NC(=O)OCc3ccccc3)c2)cc1 ZINC000019795376 212069072 /nfs/dbraw/zinc/06/90/72/212069072.db2.gz PYIYPGUDDGVOIW-UHFFFAOYSA-N 0 0 347.370 5.040 10 0 EKAERN Fc1ccc(Oc2ncc(Cl)cc2Cl)c(Br)c1 ZINC000019806541 212071025 /nfs/dbraw/zinc/07/10/25/212071025.db2.gz OYRSTZIUEKMUJK-UHFFFAOYSA-N 0 0 336.975 5.082 10 0 EKAERN Nc1cc(Cl)ccc1SCc1ccc(Br)s1 ZINC000019815425 202022480 /nfs/dbraw/zinc/02/24/80/202022480.db2.gz WDRKMMIPSIEUJG-UHFFFAOYSA-N 0 0 334.691 5.039 10 0 EKAERN CC(=O)c1c(F)cccc1Oc1ccc(Cl)cc1Br ZINC000019871569 202024537 /nfs/dbraw/zinc/02/45/37/202024537.db2.gz VQEHECCNYROLNC-UHFFFAOYSA-N 0 0 343.579 5.237 10 0 EKAERN Cc1ccc(N[C@H](C)c2nc3ccccc3s2)c(Br)c1 ZINC000019901662 212080650 /nfs/dbraw/zinc/08/06/50/212080650.db2.gz VGDJIWVDHRZULZ-LLVKDONJSA-N 0 0 347.281 5.540 10 0 EKAERN Cc1ccc(N[C@@H](C)c2nc3ccccc3s2)c(Br)c1 ZINC000019901663 212080828 /nfs/dbraw/zinc/08/08/28/212080828.db2.gz VGDJIWVDHRZULZ-NSHDSACASA-N 0 0 347.281 5.540 10 0 EKAERN COc1ccccc1N[C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000019902021 212081152 /nfs/dbraw/zinc/08/11/52/212081152.db2.gz WSWABDOLJSDIKJ-NSHDSACASA-N 0 0 346.224 5.377 10 0 EKAERN COc1ccccc1N[C@H](C)c1cc2cc(Br)ccc2o1 ZINC000019902023 212081191 /nfs/dbraw/zinc/08/11/91/212081191.db2.gz WSWABDOLJSDIKJ-LLVKDONJSA-N 0 0 346.224 5.377 10 0 EKAERN C[C@@H](Nc1cccc2cccnc21)c1ccc(Br)cc1 ZINC000019903652 212082047 /nfs/dbraw/zinc/08/20/47/212082047.db2.gz YEAHJGFRTRNHSU-GFCCVEGCSA-N 0 0 327.225 5.170 10 0 EKAERN C[C@H](Nc1cccc2cccnc21)c1ccc(Br)cc1 ZINC000019903653 212081399 /nfs/dbraw/zinc/08/13/99/212081399.db2.gz YEAHJGFRTRNHSU-LBPRGKRZSA-N 0 0 327.225 5.170 10 0 EKAERN C[C@@H](Nc1cccc2cccnc21)c1cccc(Br)c1 ZINC000019903656 212082039 /nfs/dbraw/zinc/08/20/39/212082039.db2.gz JNKXROFODGJHDS-GFCCVEGCSA-N 0 0 327.225 5.170 10 0 EKAERN C[C@H](Nc1cccc2cccnc21)c1cccc(Br)c1 ZINC000019903657 212081864 /nfs/dbraw/zinc/08/18/64/212081864.db2.gz JNKXROFODGJHDS-LBPRGKRZSA-N 0 0 327.225 5.170 10 0 EKAERN C[C@@H](Nc1cccc2cccnc21)c1ccccc1Br ZINC000019903681 212081922 /nfs/dbraw/zinc/08/19/22/212081922.db2.gz DNUGBPAZEQGHCX-GFCCVEGCSA-N 0 0 327.225 5.170 10 0 EKAERN C[C@H](Nc1cccc2cccnc21)c1ccccc1Br ZINC000019903682 212081787 /nfs/dbraw/zinc/08/17/87/212081787.db2.gz DNUGBPAZEQGHCX-LBPRGKRZSA-N 0 0 327.225 5.170 10 0 EKAERN Cc1cc(Br)ccc1N[C@H](C)c1nc2ccccc2s1 ZINC000019905637 212081647 /nfs/dbraw/zinc/08/16/47/212081647.db2.gz CETYKKUEVMCMPL-LLVKDONJSA-N 0 0 347.281 5.540 10 0 EKAERN Cc1cc(Br)ccc1N[C@@H](C)c1nc2ccccc2s1 ZINC000019905638 212081999 /nfs/dbraw/zinc/08/19/99/212081999.db2.gz CETYKKUEVMCMPL-NSHDSACASA-N 0 0 347.281 5.540 10 0 EKAERN FC(F)Sc1ccccc1NCc1ccc(Br)cc1 ZINC000019906609 212082118 /nfs/dbraw/zinc/08/21/18/212082118.db2.gz DPUVIGGGBPTHCH-UHFFFAOYSA-N 0 0 344.224 5.376 10 0 EKAERN FC(F)Sc1ccccc1NCc1cccc(Br)c1 ZINC000019906611 212081581 /nfs/dbraw/zinc/08/15/81/212081581.db2.gz HQLRAWXSAWKMPN-UHFFFAOYSA-N 0 0 344.224 5.376 10 0 EKAERN FC(F)Sc1ccccc1NCc1ccccc1Br ZINC000019906674 212081663 /nfs/dbraw/zinc/08/16/63/212081663.db2.gz BKTZIMPDSOEMEL-UHFFFAOYSA-N 0 0 344.224 5.376 10 0 EKAERN C[C@@H](Nc1cccc2ncccc21)c1ccc(Br)cc1 ZINC000019906807 212081585 /nfs/dbraw/zinc/08/15/85/212081585.db2.gz JPKYPFGOKQTXKU-GFCCVEGCSA-N 0 0 327.225 5.170 10 0 EKAERN C[C@H](Nc1cccc2ncccc21)c1ccc(Br)cc1 ZINC000019906808 212082135 /nfs/dbraw/zinc/08/21/35/212082135.db2.gz JPKYPFGOKQTXKU-LBPRGKRZSA-N 0 0 327.225 5.170 10 0 EKAERN C[C@@H](Nc1cccc2ncccc21)c1cccc(Br)c1 ZINC000019906811 212081695 /nfs/dbraw/zinc/08/16/95/212081695.db2.gz QAODTGCQPAUJQJ-GFCCVEGCSA-N 0 0 327.225 5.170 10 0 EKAERN C[C@H](Nc1cccc2ncccc21)c1cccc(Br)c1 ZINC000019906812 212082092 /nfs/dbraw/zinc/08/20/92/212082092.db2.gz QAODTGCQPAUJQJ-LBPRGKRZSA-N 0 0 327.225 5.170 10 0 EKAERN C[C@@H](Nc1cccc2ncccc21)c1ccccc1Br ZINC000019906837 212082120 /nfs/dbraw/zinc/08/21/20/212082120.db2.gz OXBZOTNNSYLYJS-GFCCVEGCSA-N 0 0 327.225 5.170 10 0 EKAERN C[C@H](Nc1cccc2ncccc21)c1ccccc1Br ZINC000019906838 212082089 /nfs/dbraw/zinc/08/20/89/212082089.db2.gz OXBZOTNNSYLYJS-LBPRGKRZSA-N 0 0 327.225 5.170 10 0 EKAERN C[C@@H](Nc1ccc(F)c(F)c1F)c1ccc(Br)cc1 ZINC000019907581 212081491 /nfs/dbraw/zinc/08/14/91/212081491.db2.gz RVRZRKDNHOXUCW-MRVPVSSYSA-N 0 0 330.147 5.040 10 0 EKAERN C[C@H](Nc1ccc(F)c(F)c1F)c1ccc(Br)cc1 ZINC000019907583 212082075 /nfs/dbraw/zinc/08/20/75/212082075.db2.gz RVRZRKDNHOXUCW-QMMMGPOBSA-N 0 0 330.147 5.040 10 0 EKAERN C[C@@H](Nc1ccc(F)c(F)c1F)c1cccc(Br)c1 ZINC000019907587 212081759 /nfs/dbraw/zinc/08/17/59/212081759.db2.gz VESPOXOPYIYSEI-MRVPVSSYSA-N 0 0 330.147 5.040 10 0 EKAERN C[C@H](Nc1ccc(F)c(F)c1F)c1cccc(Br)c1 ZINC000019907588 212082078 /nfs/dbraw/zinc/08/20/78/212082078.db2.gz VESPOXOPYIYSEI-QMMMGPOBSA-N 0 0 330.147 5.040 10 0 EKAERN C[C@@H](Nc1ccc(F)c(F)c1F)c1ccccc1Br ZINC000019907630 212081913 /nfs/dbraw/zinc/08/19/13/212081913.db2.gz ADMQTJBRZVDHFG-MRVPVSSYSA-N 0 0 330.147 5.040 10 0 EKAERN C[C@H](Nc1ccc(F)c(F)c1F)c1ccccc1Br ZINC000019907631 212081725 /nfs/dbraw/zinc/08/17/25/212081725.db2.gz ADMQTJBRZVDHFG-QMMMGPOBSA-N 0 0 330.147 5.040 10 0 EKAERN Cc1cc(N[C@H](C)c2nc3ccccc3s2)ccc1Br ZINC000019908144 212082564 /nfs/dbraw/zinc/08/25/64/212082564.db2.gz BPFXDQRSMQLWGA-LLVKDONJSA-N 0 0 347.281 5.540 10 0 EKAERN Cc1cc(N[C@@H](C)c2nc3ccccc3s2)ccc1Br ZINC000019908145 212082497 /nfs/dbraw/zinc/08/24/97/212082497.db2.gz BPFXDQRSMQLWGA-NSHDSACASA-N 0 0 347.281 5.540 10 0 EKAERN Brc1ccccc1N[C@@H](c1ccccc1)c1ccccn1 ZINC000019922613 212084842 /nfs/dbraw/zinc/08/48/42/212084842.db2.gz MOUYSKRFQHYWTE-SFHVURJKSA-N 0 0 339.236 5.046 10 0 EKAERN Brc1ccccc1N[C@H](c1ccccc1)c1ccccn1 ZINC000019922614 212084647 /nfs/dbraw/zinc/08/46/47/212084647.db2.gz MOUYSKRFQHYWTE-GOSISDBHSA-N 0 0 339.236 5.046 10 0 EKAERN C[C@@H](Nc1ccccc1Br)c1ccccc1OC(F)F ZINC000019922741 212084549 /nfs/dbraw/zinc/08/45/49/212084549.db2.gz WTGXYFSQCQOWNJ-SNVBAGLBSA-N 0 0 342.183 5.224 10 0 EKAERN C[C@H](Nc1ccccc1Br)c1ccccc1OC(F)F ZINC000019922743 212084384 /nfs/dbraw/zinc/08/43/84/212084384.db2.gz WTGXYFSQCQOWNJ-JTQLQIEISA-N 0 0 342.183 5.224 10 0 EKAERN Brc1ccccc1N[C@H](c1ccco1)c1ccccc1 ZINC000019922822 212084392 /nfs/dbraw/zinc/08/43/92/212084392.db2.gz APGGGPQYMQGKPQ-KRWDZBQOSA-N 0 0 328.209 5.244 10 0 EKAERN Brc1ccccc1N[C@@H](c1ccco1)c1ccccc1 ZINC000019922824 212084937 /nfs/dbraw/zinc/08/49/37/212084937.db2.gz APGGGPQYMQGKPQ-QGZVFWFLSA-N 0 0 328.209 5.244 10 0 EKAERN C[C@@H](Nc1ccccc1Br)c1nc2ccccc2s1 ZINC000019922826 212084686 /nfs/dbraw/zinc/08/46/86/212084686.db2.gz VTPYWRVHZHAFQR-SNVBAGLBSA-N 0 0 333.254 5.232 10 0 EKAERN C[C@H](Nc1ccccc1Br)c1nc2ccccc2s1 ZINC000019922829 212084680 /nfs/dbraw/zinc/08/46/80/212084680.db2.gz VTPYWRVHZHAFQR-JTQLQIEISA-N 0 0 333.254 5.232 10 0 EKAERN C[C@@H](Nc1ccc(Br)cc1)c1ccccc1OC(F)F ZINC000019923163 212084903 /nfs/dbraw/zinc/08/49/03/212084903.db2.gz UWICLVBXQGLIQE-SNVBAGLBSA-N 0 0 342.183 5.224 10 0 EKAERN C[C@H](Nc1ccc(Br)cc1)c1ccccc1OC(F)F ZINC000019923164 212084766 /nfs/dbraw/zinc/08/47/66/212084766.db2.gz UWICLVBXQGLIQE-JTQLQIEISA-N 0 0 342.183 5.224 10 0 EKAERN Brc1ccc(N[C@H](c2ccco2)c2ccccc2)cc1 ZINC000019923219 212084501 /nfs/dbraw/zinc/08/45/01/212084501.db2.gz QDMAJGMROYDGIF-KRWDZBQOSA-N 0 0 328.209 5.244 10 0 EKAERN Brc1ccc(N[C@@H](c2ccco2)c2ccccc2)cc1 ZINC000019923221 212084672 /nfs/dbraw/zinc/08/46/72/212084672.db2.gz QDMAJGMROYDGIF-QGZVFWFLSA-N 0 0 328.209 5.244 10 0 EKAERN C[C@@H](Nc1ccc(Br)cc1)c1nc2ccccc2s1 ZINC000019923223 212084940 /nfs/dbraw/zinc/08/49/40/212084940.db2.gz YPYJNWPWUDCLHI-SNVBAGLBSA-N 0 0 333.254 5.232 10 0 EKAERN C[C@H](Nc1ccc(Br)cc1)c1nc2ccccc2s1 ZINC000019923225 212084773 /nfs/dbraw/zinc/08/47/73/212084773.db2.gz YPYJNWPWUDCLHI-JTQLQIEISA-N 0 0 333.254 5.232 10 0 EKAERN C[C@@H](Nc1cccc(Br)c1)c1ccccc1OC(F)F ZINC000019941807 212088891 /nfs/dbraw/zinc/08/88/91/212088891.db2.gz DJVFOQWCNHMIHJ-SNVBAGLBSA-N 0 0 342.183 5.224 10 0 EKAERN C[C@H](Nc1cccc(Br)c1)c1ccccc1OC(F)F ZINC000019941809 212088383 /nfs/dbraw/zinc/08/83/83/212088383.db2.gz DJVFOQWCNHMIHJ-JTQLQIEISA-N 0 0 342.183 5.224 10 0 EKAERN Brc1cccc(N[C@H](c2ccco2)c2ccccc2)c1 ZINC000019941853 212088334 /nfs/dbraw/zinc/08/83/34/212088334.db2.gz MQXPKEHSBXXVMT-KRWDZBQOSA-N 0 0 328.209 5.244 10 0 EKAERN Brc1cccc(N[C@@H](c2ccco2)c2ccccc2)c1 ZINC000019941855 212088744 /nfs/dbraw/zinc/08/87/44/212088744.db2.gz MQXPKEHSBXXVMT-QGZVFWFLSA-N 0 0 328.209 5.244 10 0 EKAERN C[C@@H](Nc1cccc(Br)c1)c1nc2ccccc2s1 ZINC000019941857 212088554 /nfs/dbraw/zinc/08/85/54/212088554.db2.gz KSEXIFDLCIQTDJ-SNVBAGLBSA-N 0 0 333.254 5.232 10 0 EKAERN C[C@H](Nc1cccc(Br)c1)c1nc2ccccc2s1 ZINC000019941859 212088168 /nfs/dbraw/zinc/08/81/68/212088168.db2.gz KSEXIFDLCIQTDJ-JTQLQIEISA-N 0 0 333.254 5.232 10 0 EKAERN C[C@@H](NCc1ccccc1F)c1cc2cc(Br)ccc2o1 ZINC000019950347 212089819 /nfs/dbraw/zinc/08/98/19/212089819.db2.gz KMSALKFUSWFFDV-LLVKDONJSA-N 0 0 348.215 5.185 10 0 EKAERN C[C@H](NCc1ccccc1F)c1cc2cc(Br)ccc2o1 ZINC000019950352 212089905 /nfs/dbraw/zinc/08/99/05/212089905.db2.gz KMSALKFUSWFFDV-NSHDSACASA-N 0 0 348.215 5.185 10 0 EKAERN Cc1ccc(Cl)cc1Nc1ncnc2sc3c(c21)CCCC3 ZINC000019954773 212089901 /nfs/dbraw/zinc/08/99/01/212089901.db2.gz KXXWUQNTXFKDDO-UHFFFAOYSA-N 0 0 329.856 5.276 10 0 EKAERN COc1cccc(N[C@@H](C)c2cc3cc(Br)ccc3o2)c1 ZINC000019964148 212090127 /nfs/dbraw/zinc/09/01/27/212090127.db2.gz DFQHNIHQNSSDAE-NSHDSACASA-N 0 0 346.224 5.377 10 0 EKAERN COc1cccc(N[C@H](C)c2cc3cc(Br)ccc3o2)c1 ZINC000019964149 212090566 /nfs/dbraw/zinc/09/05/66/212090566.db2.gz DFQHNIHQNSSDAE-LLVKDONJSA-N 0 0 346.224 5.377 10 0 EKAERN COc1ccc(N[C@@H](C)c2cc3cc(Br)ccc3o2)cc1 ZINC000019964843 212090386 /nfs/dbraw/zinc/09/03/86/212090386.db2.gz VXWKRNCOJBMGON-NSHDSACASA-N 0 0 346.224 5.377 10 0 EKAERN COc1ccc(N[C@H](C)c2cc3cc(Br)ccc3o2)cc1 ZINC000019964844 212090894 /nfs/dbraw/zinc/09/08/94/212090894.db2.gz VXWKRNCOJBMGON-LLVKDONJSA-N 0 0 346.224 5.377 10 0 EKAERN Cc1ccc(Cl)cc1NCc1ccc(F)c(Br)c1 ZINC000019984139 212092879 /nfs/dbraw/zinc/09/28/79/212092879.db2.gz UBTLOSCZXPSUJJ-UHFFFAOYSA-N 0 0 328.612 5.162 10 0 EKAERN Fc1ccc(CNc2cc(Cl)c(Cl)cc2Cl)c(Cl)c1 ZINC000019992126 212092163 /nfs/dbraw/zinc/09/21/63/212092163.db2.gz VVIVKORSSMCRHZ-UHFFFAOYSA-N 0 0 339.024 6.051 10 0 EKAERN CCCCC1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000019997915 212093642 /nfs/dbraw/zinc/09/36/42/212093642.db2.gz AYRBYQJYMWMQBO-UHFFFAOYSA-N 0 0 338.289 5.384 10 0 EKAERN C[C@@H](Nc1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 ZINC000019998707 212093898 /nfs/dbraw/zinc/09/38/98/212093898.db2.gz LDPAYXXRDPDBOM-SECBINFHSA-N 0 0 345.067 5.929 10 0 EKAERN C[C@H](Nc1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 ZINC000019998709 212093706 /nfs/dbraw/zinc/09/37/06/212093706.db2.gz LDPAYXXRDPDBOM-VIFPVBQESA-N 0 0 345.067 5.929 10 0 EKAERN Clc1ccc(COc2ccc(Br)cc2)c(Cl)c1 ZINC000020001384 212093218 /nfs/dbraw/zinc/09/32/18/212093218.db2.gz HFWPAMUSKZMINC-UHFFFAOYSA-N 0 0 332.024 5.335 10 0 EKAERN Clc1ccc(NCc2cccc(Br)c2)cc1Cl ZINC000020004567 212093344 /nfs/dbraw/zinc/09/33/44/212093344.db2.gz XCGZJIPETMAQDM-UHFFFAOYSA-N 0 0 331.040 5.368 10 0 EKAERN Cc1cc(N[C@H](C)c2c(F)cccc2F)ccc1Br ZINC000020004661 212093796 /nfs/dbraw/zinc/09/37/96/212093796.db2.gz RUQHRQLCRHQENF-SNVBAGLBSA-N 0 0 326.184 5.209 10 0 EKAERN Cc1cc(N[C@@H](C)c2c(F)cccc2F)ccc1Br ZINC000020004663 212093492 /nfs/dbraw/zinc/09/34/92/212093492.db2.gz RUQHRQLCRHQENF-JTQLQIEISA-N 0 0 326.184 5.209 10 0 EKAERN NC(=S)c1ccccc1Nc1cc(Cl)c(Cl)cc1Cl ZINC000020009466 212093957 /nfs/dbraw/zinc/09/39/57/212093957.db2.gz AOJKOPPVKYIYME-UHFFFAOYSA-N 0 0 331.655 5.025 10 0 EKAERN CCCCC1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000020014228 212093855 /nfs/dbraw/zinc/09/38/55/212093855.db2.gz JRNNJYYJXKXSRJ-UHFFFAOYSA-N 0 0 338.289 5.384 10 0 EKAERN Fc1ccc(Br)cc1CNc1cc(Cl)ccc1Cl ZINC000020017055 212093740 /nfs/dbraw/zinc/09/37/40/212093740.db2.gz XPZBEIOQMWPXMX-UHFFFAOYSA-N 0 0 349.030 5.507 10 0 EKAERN CC[C@@H](Nc1cc(Cl)ccc1C)c1ccc(Br)cc1 ZINC000020018116 212093599 /nfs/dbraw/zinc/09/35/99/212093599.db2.gz XMDZHILWKDSTLV-OAHLLOKOSA-N 0 0 338.676 5.974 10 0 EKAERN CC[C@H](Nc1cc(Cl)ccc1C)c1ccc(Br)cc1 ZINC000020018119 212093215 /nfs/dbraw/zinc/09/32/15/212093215.db2.gz XMDZHILWKDSTLV-HNNXBMFYSA-N 0 0 338.676 5.974 10 0 EKAERN Cc1cc(Cl)ccc1NCc1cc(Br)ccc1F ZINC000020018642 212093222 /nfs/dbraw/zinc/09/32/22/212093222.db2.gz YXAPUZPRIRZNSY-UHFFFAOYSA-N 0 0 328.612 5.162 10 0 EKAERN Cc1nc([C@@H](C)Nc2ccc(C)cc2Br)c(C)s1 ZINC000020086847 212100642 /nfs/dbraw/zinc/10/06/42/212100642.db2.gz CBVDGUSULKVXGL-SECBINFHSA-N 0 0 325.275 5.004 10 0 EKAERN Cc1nc([C@H](C)Nc2ccc(C)cc2Br)c(C)s1 ZINC000020086849 212100015 /nfs/dbraw/zinc/10/00/15/212100015.db2.gz CBVDGUSULKVXGL-VIFPVBQESA-N 0 0 325.275 5.004 10 0 EKAERN CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCC ZINC000020230394 212113731 /nfs/dbraw/zinc/11/37/31/212113731.db2.gz SVGGKWILBMPIJV-UTJQPWESSA-N 0 0 336.560 7.143 10 0 EKAERN FC(F)(F)c1cccc(COc2ccccc2Br)c1 ZINC000020298109 212116495 /nfs/dbraw/zinc/11/64/95/212116495.db2.gz USWKBWGQRNCZLY-UHFFFAOYSA-N 0 0 331.131 5.047 10 0 EKAERN O=C(c1cc2cc(Br)ccc2o1)c1ccccc1Cl ZINC000020298878 212118108 /nfs/dbraw/zinc/11/81/08/212118108.db2.gz UVEFICDHNMATMR-UHFFFAOYSA-N 0 0 335.584 5.080 10 0 EKAERN Cc1sc2ncnc(Nc3ccccc3O)c2c1-c1ccccc1 ZINC000020321234 212118959 /nfs/dbraw/zinc/11/89/59/212118959.db2.gz NNBIAEYKCVDTNT-UHFFFAOYSA-N 0 0 333.416 5.116 10 0 EKAERN Cc1ccc(-c2csc3ncnc(Nc4ccccc4O)c23)cc1 ZINC000020321364 212118785 /nfs/dbraw/zinc/11/87/85/212118785.db2.gz WRTDMKQMDSPZPR-UHFFFAOYSA-N 0 0 333.416 5.116 10 0 EKAERN CCc1ccc(-c2csc3ncnc(Nc4ccc(O)cc4)c23)cc1 ZINC000020321795 202037775 /nfs/dbraw/zinc/03/77/75/202037775.db2.gz XMZIUMOVRAQEFT-UHFFFAOYSA-N 0 0 347.443 5.370 10 0 EKAERN CC(=O)c1ccccc1Oc1ccc(Br)cc1Cl ZINC000020361951 212122737 /nfs/dbraw/zinc/12/27/37/212122737.db2.gz SLNDRUYDGOUFGQ-UHFFFAOYSA-N 0 0 325.589 5.097 10 0 EKAERN O=C(c1cc2cc(Br)ccc2o1)c1cccc(Cl)c1 ZINC000020362303 202038634 /nfs/dbraw/zinc/03/86/34/202038634.db2.gz PLYJLXVVQRYDCX-UHFFFAOYSA-N 0 0 335.584 5.080 10 0 EKAERN Cc1ccc(NCc2ccc(F)cc2Br)c(Cl)c1 ZINC000020366630 212123646 /nfs/dbraw/zinc/12/36/46/212123646.db2.gz ZKTKTSXFWPEEKW-UHFFFAOYSA-N 0 0 328.612 5.162 10 0 EKAERN CC(C)c1ccc2oc([C@@H](N)c3ccc(Br)cc3)cc2c1 ZINC000020389558 212124095 /nfs/dbraw/zinc/12/40/95/212124095.db2.gz FULVIJUJVOKSBB-SFHVURJKSA-N 0 0 344.252 5.367 10 0 EKAERN CC(C)c1ccc2oc([C@H](N)c3ccc(Br)cc3)cc2c1 ZINC000020389562 202041010 /nfs/dbraw/zinc/04/10/10/202041010.db2.gz FULVIJUJVOKSBB-GOSISDBHSA-N 0 0 344.252 5.367 10 0 EKAERN COc1ccc(-c2nnc(Nc3cccc(C)c3)c3ccccc32)cc1 ZINC000020412786 212126815 /nfs/dbraw/zinc/12/68/15/212126815.db2.gz BMMSZDRFACHGCN-UHFFFAOYSA-N 0 0 341.414 5.357 10 0 EKAERN C[C@@H](Nc1ccc(F)c(Cl)c1)c1ccc(Br)cc1 ZINC000020429906 212127572 /nfs/dbraw/zinc/12/75/72/212127572.db2.gz MWSOSIKMIIPYGO-SECBINFHSA-N 0 0 328.612 5.415 10 0 EKAERN C[C@H](Nc1ccc(F)c(Cl)c1)c1ccc(Br)cc1 ZINC000020429907 212127734 /nfs/dbraw/zinc/12/77/34/212127734.db2.gz MWSOSIKMIIPYGO-VIFPVBQESA-N 0 0 328.612 5.415 10 0 EKAERN Fc1ccc(NCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000020430586 202041825 /nfs/dbraw/zinc/04/18/25/202041825.db2.gz CJHVPSWJLYHBHJ-UHFFFAOYSA-N 0 0 349.030 5.507 10 0 EKAERN FC(F)(F)c1cccc(Cl)c1NCc1ccc(Cl)s1 ZINC000020442540 212128792 /nfs/dbraw/zinc/12/87/92/212128792.db2.gz LBDBNPUBTLCONF-UHFFFAOYSA-N 0 0 326.170 5.686 10 0 EKAERN CC[C@@H](Nc1ccc(C)cc1Cl)c1ccc(Br)cc1 ZINC000020471181 212134453 /nfs/dbraw/zinc/13/44/53/212134453.db2.gz DYKWWUFUXYFVAQ-OAHLLOKOSA-N 0 0 338.676 5.974 10 0 EKAERN CC[C@H](Nc1ccc(C)cc1Cl)c1ccc(Br)cc1 ZINC000020471182 212134490 /nfs/dbraw/zinc/13/44/90/212134490.db2.gz DYKWWUFUXYFVAQ-HNNXBMFYSA-N 0 0 338.676 5.974 10 0 EKAERN Cc1ccc(NCc2cc(Br)ccc2F)c(Cl)c1 ZINC000020471353 212134411 /nfs/dbraw/zinc/13/44/11/212134411.db2.gz LZKWUZJDJGKNMW-UHFFFAOYSA-N 0 0 328.612 5.162 10 0 EKAERN CC[C@@H](Nc1cccc(Cl)c1F)c1ccc(Br)cc1 ZINC000020472264 212134687 /nfs/dbraw/zinc/13/46/87/212134687.db2.gz YGENVWWUAIBNKS-CYBMUJFWSA-N 0 0 342.639 5.805 10 0 EKAERN CC[C@H](Nc1cccc(Cl)c1F)c1ccc(Br)cc1 ZINC000020472265 212134692 /nfs/dbraw/zinc/13/46/92/212134692.db2.gz YGENVWWUAIBNKS-ZDUSSCGKSA-N 0 0 342.639 5.805 10 0 EKAERN COc1cc(Cl)c(C)cc1NCc1cc(Br)cs1 ZINC000020475041 212135811 /nfs/dbraw/zinc/13/58/11/212135811.db2.gz WMRXKSZIRDYYAW-UHFFFAOYSA-N 0 0 346.677 5.093 10 0 EKAERN FC(F)(F)c1cccc(NCc2cc(Br)cs2)c1 ZINC000020475043 202043855 /nfs/dbraw/zinc/04/38/55/202043855.db2.gz FBOUDWWVAHBFCH-UHFFFAOYSA-N 0 0 336.176 5.142 10 0 EKAERN CC[C@@H](Nc1c(F)cccc1F)c1ccc(Br)cc1 ZINC000020476160 212135638 /nfs/dbraw/zinc/13/56/38/212135638.db2.gz QXVKDENQJSBJEQ-CQSZACIVSA-N 0 0 326.184 5.291 10 0 EKAERN CC[C@H](Nc1c(F)cccc1F)c1ccc(Br)cc1 ZINC000020476161 212136048 /nfs/dbraw/zinc/13/60/48/212136048.db2.gz QXVKDENQJSBJEQ-AWEZNQCLSA-N 0 0 326.184 5.291 10 0 EKAERN Cc1cc(C)c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1 ZINC000020502943 212140804 /nfs/dbraw/zinc/14/08/04/212140804.db2.gz SDCVPAWVFJRQMZ-UHFFFAOYSA-N 0 0 341.760 5.536 10 0 EKAERN Cc1nc([C@@H](C)Nc2c(Cl)cc(Cl)cc2Cl)c(C)s1 ZINC000020504970 212141515 /nfs/dbraw/zinc/14/15/15/212141515.db2.gz IWGSEIKUNZQFCT-ZCFIWIBFSA-N 0 0 335.687 5.893 10 0 EKAERN Cc1nc([C@H](C)Nc2c(Cl)cc(Cl)cc2Cl)c(C)s1 ZINC000020504972 212141247 /nfs/dbraw/zinc/14/12/47/212141247.db2.gz IWGSEIKUNZQFCT-LURJTMIESA-N 0 0 335.687 5.893 10 0 EKAERN Cc1cc([C@@H](C)Nc2c(Cl)cc(Cl)cc2Cl)c(C)s1 ZINC000020504981 212141175 /nfs/dbraw/zinc/14/11/75/212141175.db2.gz AEKRNCDNNQLVRP-MRVPVSSYSA-N 0 0 334.699 6.498 10 0 EKAERN Cc1cc([C@H](C)Nc2c(Cl)cc(Cl)cc2Cl)c(C)s1 ZINC000020504982 212141511 /nfs/dbraw/zinc/14/15/11/212141511.db2.gz AEKRNCDNNQLVRP-QMMMGPOBSA-N 0 0 334.699 6.498 10 0 EKAERN Clc1ccc(CNc2c(Cl)cc(Cl)cc2Cl)s1 ZINC000020505012 212141465 /nfs/dbraw/zinc/14/14/65/212141465.db2.gz GMZPWKZTAGIOOI-UHFFFAOYSA-N 0 0 327.063 5.974 10 0 EKAERN C[C@@H](Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000020505172 212141329 /nfs/dbraw/zinc/14/13/29/212141329.db2.gz ICATXQMYRPXKEH-MRVPVSSYSA-N 0 0 335.061 6.473 10 0 EKAERN C[C@H](Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000020505173 212141507 /nfs/dbraw/zinc/14/15/07/212141507.db2.gz ICATXQMYRPXKEH-QMMMGPOBSA-N 0 0 335.061 6.473 10 0 EKAERN Fc1ccc(CNc2c(Cl)cc(Cl)cc2Cl)c(Cl)c1 ZINC000020505385 212141683 /nfs/dbraw/zinc/14/16/83/212141683.db2.gz MKOHFAUBAUVPIW-UHFFFAOYSA-N 0 0 339.024 6.051 10 0 EKAERN Clc1cc(Br)cc(Cl)c1NC[C@H]1CC=CCC1 ZINC000020505552 212141354 /nfs/dbraw/zinc/14/13/54/212141354.db2.gz XYKLTGOURDXJHK-VIFPVBQESA-N 0 0 335.072 5.524 10 0 EKAERN Clc1cc(Br)cc(Cl)c1NC[C@@H]1CC=CCC1 ZINC000020505553 212141286 /nfs/dbraw/zinc/14/12/86/212141286.db2.gz XYKLTGOURDXJHK-SECBINFHSA-N 0 0 335.072 5.524 10 0 EKAERN Clc1cc(Br)cc(Cl)c1NCc1ccccc1 ZINC000020505583 212141306 /nfs/dbraw/zinc/14/13/06/212141306.db2.gz ODYGJAVJUBJVDT-UHFFFAOYSA-N 0 0 331.040 5.368 10 0 EKAERN C[C@@H](Nc1c(Cl)cc(Br)cc1Cl)c1ccccc1 ZINC000020505705 202046087 /nfs/dbraw/zinc/04/60/87/202046087.db2.gz KSOQFCMRHQQGJL-SECBINFHSA-N 0 0 345.067 5.929 10 0 EKAERN C[C@H](Nc1c(Cl)cc(Br)cc1Cl)c1ccccc1 ZINC000020505706 212141006 /nfs/dbraw/zinc/14/10/06/212141006.db2.gz KSOQFCMRHQQGJL-VIFPVBQESA-N 0 0 345.067 5.929 10 0 EKAERN Clc1cc(Br)cc(Cl)c1NCCc1ccccc1 ZINC000020505732 212141494 /nfs/dbraw/zinc/14/14/94/212141494.db2.gz KGBKSGDVJYUDCH-UHFFFAOYSA-N 0 0 345.067 5.411 10 0 EKAERN C[C@@H]1CCC[C@@H](Nc2c(Cl)cc(Br)cc2Cl)C1 ZINC000020505733 212140959 /nfs/dbraw/zinc/14/09/59/212140959.db2.gz WQEHECXPEMMFAN-PSASIEDQSA-N 0 0 337.088 5.747 10 0 EKAERN C[C@H]1CCC[C@@H](Nc2c(Cl)cc(Br)cc2Cl)C1 ZINC000020505734 212141132 /nfs/dbraw/zinc/14/11/32/212141132.db2.gz WQEHECXPEMMFAN-WCBMZHEXSA-N 0 0 337.088 5.747 10 0 EKAERN C[C@@H]1CCC[C@H](Nc2c(Cl)cc(Br)cc2Cl)C1 ZINC000020505735 212141413 /nfs/dbraw/zinc/14/14/13/212141413.db2.gz WQEHECXPEMMFAN-SCZZXKLOSA-N 0 0 337.088 5.747 10 0 EKAERN C[C@H]1CCC[C@H](Nc2c(Cl)cc(Br)cc2Cl)C1 ZINC000020505736 202045945 /nfs/dbraw/zinc/04/59/45/202045945.db2.gz WQEHECXPEMMFAN-WPRPVWTQSA-N 0 0 337.088 5.747 10 0 EKAERN Cc1ccccc1CNc1c(Cl)cc(Br)cc1Cl ZINC000020505757 212141669 /nfs/dbraw/zinc/14/16/69/212141669.db2.gz SDZKUAUDQBJLLL-UHFFFAOYSA-N 0 0 345.067 5.676 10 0 EKAERN Fc1ccc(CNc2c(Cl)cc(Br)cc2Cl)cc1 ZINC000020505772 212141411 /nfs/dbraw/zinc/14/14/11/212141411.db2.gz JZHJLNSLRVEFAC-UHFFFAOYSA-N 0 0 349.030 5.507 10 0 EKAERN O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccccc1-c1ccccc1 ZINC000020530433 212143961 /nfs/dbraw/zinc/14/39/61/212143961.db2.gz NCKYKFNTPUYWQL-UHFFFAOYSA-N 0 0 345.486 5.300 10 0 EKAERN O=C(/C=C\c1ccco1)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000020534059 202047738 /nfs/dbraw/zinc/04/77/38/202047738.db2.gz XVOPZVPJMBQNOB-KHPPLWFESA-N 0 0 346.411 5.208 10 0 EKAERN Cc1cc([C@@H](C)Nc2cc(Cl)c(Cl)cc2Cl)c(C)s1 ZINC000020544879 212145811 /nfs/dbraw/zinc/14/58/11/212145811.db2.gz REBBLBJWECQTAE-MRVPVSSYSA-N 0 0 334.699 6.498 10 0 EKAERN Cc1cc([C@H](C)Nc2cc(Cl)c(Cl)cc2Cl)c(C)s1 ZINC000020544881 212145837 /nfs/dbraw/zinc/14/58/37/212145837.db2.gz REBBLBJWECQTAE-QMMMGPOBSA-N 0 0 334.699 6.498 10 0 EKAERN Cc1ccc(Cl)cc1NCc1ccc(F)cc1Br ZINC000020545438 212145996 /nfs/dbraw/zinc/14/59/96/212145996.db2.gz NFKARMPXAVSPDC-UHFFFAOYSA-N 0 0 328.612 5.162 10 0 EKAERN FC(F)(F)c1ccc(CNc2ccccc2Br)cc1 ZINC000020545556 212145563 /nfs/dbraw/zinc/14/55/63/212145563.db2.gz DWNVNTKUWONKRQ-UHFFFAOYSA-N 0 0 330.147 5.080 10 0 EKAERN CC[C@@H](Nc1ccc(Br)cc1C)c1cccc(Cl)c1 ZINC000020546305 212145816 /nfs/dbraw/zinc/14/58/16/212145816.db2.gz XGKYNCZKTQMPIW-OAHLLOKOSA-N 0 0 338.676 5.974 10 0 EKAERN CC[C@H](Nc1ccc(Br)cc1C)c1cccc(Cl)c1 ZINC000020546306 212145324 /nfs/dbraw/zinc/14/53/24/212145324.db2.gz XGKYNCZKTQMPIW-HNNXBMFYSA-N 0 0 338.676 5.974 10 0 EKAERN C[C@@H](Nc1cccc(Cl)c1Cl)c1cc(Cl)ccc1Cl ZINC000020548397 212146722 /nfs/dbraw/zinc/14/67/22/212146722.db2.gz LGQWFAZVZUWUSU-MRVPVSSYSA-N 0 0 335.061 6.473 10 0 EKAERN C[C@H](Nc1cccc(Cl)c1Cl)c1cc(Cl)ccc1Cl ZINC000020548398 212146711 /nfs/dbraw/zinc/14/67/11/212146711.db2.gz LGQWFAZVZUWUSU-QMMMGPOBSA-N 0 0 335.061 6.473 10 0 EKAERN CC[C@@H](Nc1ccc(SC)cc1)c1ccc(Br)cc1 ZINC000020548802 212146776 /nfs/dbraw/zinc/14/67/76/212146776.db2.gz ZLFIKJOAYXDJGI-MRXNPFEDSA-N 0 0 336.298 5.734 10 0 EKAERN CC[C@H](Nc1ccc(SC)cc1)c1ccc(Br)cc1 ZINC000020548804 212146951 /nfs/dbraw/zinc/14/69/51/212146951.db2.gz ZLFIKJOAYXDJGI-INIZCTEOSA-N 0 0 336.298 5.734 10 0 EKAERN C[C@@H](Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1Cl ZINC000020550054 212147007 /nfs/dbraw/zinc/14/70/07/212147007.db2.gz GAEIULGPHZHYHC-MRVPVSSYSA-N 0 0 335.061 6.473 10 0 EKAERN C[C@H](Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1Cl ZINC000020550055 212146550 /nfs/dbraw/zinc/14/65/50/212146550.db2.gz GAEIULGPHZHYHC-QMMMGPOBSA-N 0 0 335.061 6.473 10 0 EKAERN Cc1c(Cl)cccc1NCc1cc(F)ccc1Br ZINC000020550181 212146937 /nfs/dbraw/zinc/14/69/37/212146937.db2.gz HIAWAHOUEIXFLB-UHFFFAOYSA-N 0 0 328.612 5.162 10 0 EKAERN Clc1ccc(CNc2cc(Cl)c(Cl)cc2Cl)s1 ZINC000020551831 202049090 /nfs/dbraw/zinc/04/90/90/202049090.db2.gz QNZZBWFQVXXBJP-UHFFFAOYSA-N 0 0 327.063 5.974 10 0 EKAERN FC(F)(F)c1cccc(CNc2cccc(Br)c2)c1 ZINC000020561531 212147996 /nfs/dbraw/zinc/14/79/96/212147996.db2.gz PZWXCLBATJHVNA-UHFFFAOYSA-N 0 0 330.147 5.080 10 0 EKAERN Fc1ccc(Br)cc1CNc1ccc(Cl)c(Cl)c1 ZINC000020562916 212147937 /nfs/dbraw/zinc/14/79/37/212147937.db2.gz CIFKVSCGMPTWSU-UHFFFAOYSA-N 0 0 349.030 5.507 10 0 EKAERN CC[C@@H](Nc1ccc(Br)cc1F)c1cccc(Cl)c1 ZINC000020563734 212148118 /nfs/dbraw/zinc/14/81/18/212148118.db2.gz YRGHHVCVGWYFEV-CQSZACIVSA-N 0 0 342.639 5.805 10 0 EKAERN CC[C@H](Nc1ccc(Br)cc1F)c1cccc(Cl)c1 ZINC000020563736 212148093 /nfs/dbraw/zinc/14/80/93/212148093.db2.gz YRGHHVCVGWYFEV-AWEZNQCLSA-N 0 0 342.639 5.805 10 0 EKAERN Fc1ccc(Br)c(CNc2cc(Cl)ccc2Cl)c1 ZINC000020563917 202048843 /nfs/dbraw/zinc/04/88/43/202048843.db2.gz GBIYBTXOOFRMIB-UHFFFAOYSA-N 0 0 349.030 5.507 10 0 EKAERN Clc1ccc(COc2cccc(Br)c2)c(Cl)c1 ZINC000020565121 212147835 /nfs/dbraw/zinc/14/78/35/212147835.db2.gz SWDDVMOBGRPGIJ-UHFFFAOYSA-N 0 0 332.024 5.335 10 0 EKAERN Cc1ccc(NCc2cc(Br)ccc2F)cc1Cl ZINC000020567026 212148270 /nfs/dbraw/zinc/14/82/70/212148270.db2.gz AAAXYEVQDHLSHZ-UHFFFAOYSA-N 0 0 328.612 5.162 10 0 EKAERN Nc1cc(Br)ccc1Nc1cc(Cl)ccc1Cl ZINC000020584638 212149582 /nfs/dbraw/zinc/14/95/82/212149582.db2.gz DAJCLSPUQJAAPQ-UHFFFAOYSA-N 0 0 332.028 5.082 10 0 EKAERN Nc1cc(Br)ccc1Nc1ccc(Cl)c(Cl)c1 ZINC000020585348 212149669 /nfs/dbraw/zinc/14/96/69/212149669.db2.gz VWKPILQJLFTBCQ-UHFFFAOYSA-N 0 0 332.028 5.082 10 0 EKAERN Nc1cc(Br)ccc1Nc1cccc(Cl)c1Cl ZINC000020585778 212149680 /nfs/dbraw/zinc/14/96/80/212149680.db2.gz IWWWULFVLVTJSP-UHFFFAOYSA-N 0 0 332.028 5.082 10 0 EKAERN Clc1cc(Cl)c(Nc2nc3ccccc3s2)c(Cl)c1 ZINC000020586220 212150278 /nfs/dbraw/zinc/15/02/78/212150278.db2.gz DJFRRMFULBCQRY-UHFFFAOYSA-N 0 0 329.639 6.000 10 0 EKAERN Clc1ccc(Cl)c(NCc2cccc(Br)c2)c1 ZINC000021008066 212199487 /nfs/dbraw/zinc/19/94/87/212199487.db2.gz ACJDNKJEMXZPHL-UHFFFAOYSA-N 0 0 331.040 5.368 10 0 EKAERN Fc1ccc(Br)c(CNc2ccc(Cl)cc2Cl)c1 ZINC000021010952 212199908 /nfs/dbraw/zinc/19/99/08/212199908.db2.gz BHEMOUPXIJPVFC-UHFFFAOYSA-N 0 0 349.030 5.507 10 0 EKAERN NC(=S)c1ccccc1Oc1cc(Cl)c(Cl)cc1Cl ZINC000021011997 212199794 /nfs/dbraw/zinc/19/97/94/212199794.db2.gz NQJMYPQQOPZQQE-UHFFFAOYSA-N 0 0 332.639 5.073 10 0 EKAERN Nc1cc(Br)ccc1Oc1cccc(Cl)c1Cl ZINC000021012617 212199235 /nfs/dbraw/zinc/19/92/35/212199235.db2.gz BQEJCHFRJJIYQL-UHFFFAOYSA-N 0 0 333.012 5.130 10 0 EKAERN Nc1cc(Cl)ccc1SCc1cc(Br)ccc1F ZINC000021015387 212199740 /nfs/dbraw/zinc/19/97/40/212199740.db2.gz DKFHOHMMVZSRMU-UHFFFAOYSA-N 0 0 346.652 5.116 10 0 EKAERN C[C@@H](Nc1cc(Cl)cc(Cl)c1)c1ccccc1Br ZINC000021015393 212199447 /nfs/dbraw/zinc/19/94/47/212199447.db2.gz UFMSITWKVGPQOL-SECBINFHSA-N 0 0 345.067 5.929 10 0 EKAERN C[C@H](Nc1cc(Cl)cc(Cl)c1)c1ccccc1Br ZINC000021015396 202061065 /nfs/dbraw/zinc/06/10/65/202061065.db2.gz UFMSITWKVGPQOL-VIFPVBQESA-N 0 0 345.067 5.929 10 0 EKAERN Cc1c(Cl)cccc1NCc1ccc(F)c(Br)c1 ZINC000021015804 212200578 /nfs/dbraw/zinc/20/05/78/212200578.db2.gz BJWYNDCXSVTNLO-UHFFFAOYSA-N 0 0 328.612 5.162 10 0 EKAERN O=Cc1c(Cl)cccc1Oc1cc(Cl)c(Cl)cc1Cl ZINC000021016237 212200552 /nfs/dbraw/zinc/20/05/52/212200552.db2.gz ACYAOGSXSHUYEN-UHFFFAOYSA-N 0 0 336.001 5.905 10 0 EKAERN Fc1ccc(Br)c(CNc2cc(Cl)cc(Cl)c2)c1 ZINC000021029952 212201768 /nfs/dbraw/zinc/20/17/68/212201768.db2.gz VZVPHVNUXOWPDZ-UHFFFAOYSA-N 0 0 349.030 5.507 10 0 EKAERN C[C@@H](Nc1cccc(Br)c1)c1ccc(Cl)cc1Cl ZINC000021041263 212202325 /nfs/dbraw/zinc/20/23/25/212202325.db2.gz CAXYIIPTSZFFCM-SECBINFHSA-N 0 0 345.067 5.929 10 0 EKAERN C[C@H](Nc1cccc(Br)c1)c1ccc(Cl)cc1Cl ZINC000021041269 212201875 /nfs/dbraw/zinc/20/18/75/212201875.db2.gz CAXYIIPTSZFFCM-VIFPVBQESA-N 0 0 345.067 5.929 10 0 EKAERN CC(=O)c1cc(F)ccc1Oc1ccc(Cl)cc1Br ZINC000021041309 212202359 /nfs/dbraw/zinc/20/23/59/212202359.db2.gz KYPMCDPJUGWLGM-UHFFFAOYSA-N 0 0 343.579 5.237 10 0 EKAERN C[C@@H](Nc1cccc(Br)c1)c1ccc(F)c(Cl)c1 ZINC000021060812 212205055 /nfs/dbraw/zinc/20/50/55/212205055.db2.gz VTCVZDSQAKQXLQ-SECBINFHSA-N 0 0 328.612 5.415 10 0 EKAERN C[C@H](Nc1cccc(Br)c1)c1ccc(F)c(Cl)c1 ZINC000021060815 212204828 /nfs/dbraw/zinc/20/48/28/212204828.db2.gz VTCVZDSQAKQXLQ-VIFPVBQESA-N 0 0 328.612 5.415 10 0 EKAERN CCc1ccc(NC(=O)Nc2nc3c(s2)CCCCCC3)cc1 ZINC000021087875 212204990 /nfs/dbraw/zinc/20/49/90/212204990.db2.gz LTHLKHHXIYOOES-UHFFFAOYSA-N 0 0 329.469 5.009 10 0 EKAERN COc1c(Cl)cc(C(=O)Nc2c(C)cc(C)cc2C)cc1Cl ZINC000021125015 212209910 /nfs/dbraw/zinc/20/99/10/212209910.db2.gz OGPYEOFDLLMHFR-UHFFFAOYSA-N 0 0 338.234 5.180 10 0 EKAERN O=C(Nc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1)C1CCCC1 ZINC000021141678 212211617 /nfs/dbraw/zinc/21/16/17/212211617.db2.gz QARDMWGIDCQYAB-UHFFFAOYSA-N 0 0 339.826 5.012 10 0 EKAERN Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1C ZINC000021141686 212210787 /nfs/dbraw/zinc/21/07/87/212210787.db2.gz DYSCXUGNKHFEPF-UHFFFAOYSA-N 0 0 341.414 5.099 10 0 EKAERN Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)cc1 ZINC000021141831 212211140 /nfs/dbraw/zinc/21/11/40/212211140.db2.gz BMDUWAAOUNCXRI-UHFFFAOYSA-N 0 0 341.414 5.099 10 0 EKAERN CCC[C@@H](C)C(=O)Nc1cccc(-c2nnc(-c3ccc(C)cc3)o2)c1 ZINC000021145300 212211393 /nfs/dbraw/zinc/21/13/93/212211393.db2.gz WKQIVZRYLHXKLQ-OAHLLOKOSA-N 0 0 349.434 5.087 10 0 EKAERN CCC[C@H](C)C(=O)Nc1cccc(-c2nnc(-c3ccc(C)cc3)o2)c1 ZINC000021145302 212211148 /nfs/dbraw/zinc/21/11/48/212211148.db2.gz WKQIVZRYLHXKLQ-HNNXBMFYSA-N 0 0 349.434 5.087 10 0 EKAERN COc1ccc2c(c1)N=C(c1ccc(C)cc1)NC(c1cccs1)=N2 ZINC000021169527 202063639 /nfs/dbraw/zinc/06/36/39/202063639.db2.gz PDZHJGYZFHWXKG-UHFFFAOYSA-N 0 0 347.443 5.016 10 0 EKAERN CCOc1ccc(C2=Nc3ccccc3N=C(c3cccs3)N2)cc1 ZINC000021169563 202063168 /nfs/dbraw/zinc/06/31/68/202063168.db2.gz PWOXVQGECTZGAE-UHFFFAOYSA-N 0 0 347.443 5.097 10 0 EKAERN Cc1ccc(-c2coc(-c3ccc(NC(=O)c4ccco4)cc3)n2)cc1 ZINC000021362826 212222252 /nfs/dbraw/zinc/22/22/52/212222252.db2.gz BFTIMWKHDVYOKR-UHFFFAOYSA-N 0 0 344.370 5.162 10 0 EKAERN C[C@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)c1cccs1 ZINC000021462830 212224799 /nfs/dbraw/zinc/22/47/99/212224799.db2.gz HSPDRVHKZZMZDK-NSHDSACASA-N 0 0 331.824 5.153 10 0 EKAERN Cc1ccc(NCc2c(F)cccc2Cl)c(Br)c1 ZINC000021501274 202066460 /nfs/dbraw/zinc/06/64/60/202066460.db2.gz IEHNFKSJZPOBPW-UHFFFAOYSA-N 0 0 328.612 5.162 10 0 EKAERN C[C@@H](Nc1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 ZINC000021502986 212227833 /nfs/dbraw/zinc/22/78/33/212227833.db2.gz NRVICZKGGBHSQQ-SECBINFHSA-N 0 0 345.067 5.929 10 0 EKAERN C[C@H](Nc1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 ZINC000021502988 212227858 /nfs/dbraw/zinc/22/78/58/212227858.db2.gz NRVICZKGGBHSQQ-VIFPVBQESA-N 0 0 345.067 5.929 10 0 EKAERN Fc1ccc(Br)c(CNc2ccc(Cl)c(Cl)c2)c1 ZINC000021503075 212227758 /nfs/dbraw/zinc/22/77/58/212227758.db2.gz QJTIOTKWPSJMNX-UHFFFAOYSA-N 0 0 349.030 5.507 10 0 EKAERN COc1cc(Cl)c(C)cc1NCc1ccc(Br)s1 ZINC000021507423 202066208 /nfs/dbraw/zinc/06/62/08/202066208.db2.gz RLUQEUINVCLKLW-UHFFFAOYSA-N 0 0 346.677 5.093 10 0 EKAERN C[C@@H](Nc1cccc(Br)c1)c1cc(Cl)ccc1Cl ZINC000021509049 202066276 /nfs/dbraw/zinc/06/62/76/202066276.db2.gz OUQBZOUDQANEIV-SECBINFHSA-N 0 0 345.067 5.929 10 0 EKAERN C[C@H](Nc1cccc(Br)c1)c1cc(Cl)ccc1Cl ZINC000021509051 212227187 /nfs/dbraw/zinc/22/71/87/212227187.db2.gz OUQBZOUDQANEIV-VIFPVBQESA-N 0 0 345.067 5.929 10 0 EKAERN Clc1cccc(CNc2ccc(Br)cc2)c1Cl ZINC000021511098 202065855 /nfs/dbraw/zinc/06/58/55/202065855.db2.gz LDWNNOLNNYFSMA-UHFFFAOYSA-N 0 0 331.040 5.368 10 0 EKAERN Cc1cc(Br)ccc1N[C@H](C)c1cc(F)ccc1F ZINC000021512539 212228388 /nfs/dbraw/zinc/22/83/88/212228388.db2.gz QJJCDQRAONWXCG-SNVBAGLBSA-N 0 0 326.184 5.209 10 0 EKAERN Cc1cc(Br)ccc1N[C@@H](C)c1cc(F)ccc1F ZINC000021512541 212227922 /nfs/dbraw/zinc/22/79/22/212227922.db2.gz QJJCDQRAONWXCG-JTQLQIEISA-N 0 0 326.184 5.209 10 0 EKAERN COc1ccc(Cl)cc1N[C@@H](C)c1ccccc1Br ZINC000021514017 212228228 /nfs/dbraw/zinc/22/82/28/212228228.db2.gz MVKVNOLXWIEGKL-JTQLQIEISA-N 0 0 340.648 5.284 10 0 EKAERN COc1ccc(Cl)cc1N[C@H](C)c1ccccc1Br ZINC000021514019 212227735 /nfs/dbraw/zinc/22/77/35/212227735.db2.gz MVKVNOLXWIEGKL-SNVBAGLBSA-N 0 0 340.648 5.284 10 0 EKAERN C[C@@H](Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000021515468 212227306 /nfs/dbraw/zinc/22/73/06/212227306.db2.gz HYYSNICNAQJANU-MRVPVSSYSA-N 0 0 335.061 6.473 10 0 EKAERN C[C@H](Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000021515470 212227631 /nfs/dbraw/zinc/22/76/31/212227631.db2.gz HYYSNICNAQJANU-QMMMGPOBSA-N 0 0 335.061 6.473 10 0 EKAERN FC(F)(F)c1ccccc1NCc1ccccc1Br ZINC000021516373 212228104 /nfs/dbraw/zinc/22/81/04/212228104.db2.gz ZBECDWHNPRGLHO-UHFFFAOYSA-N 0 0 330.147 5.080 10 0 EKAERN Cc1cc(NCc2c(Cl)cccc2Cl)ccc1Br ZINC000021516550 212228056 /nfs/dbraw/zinc/22/80/56/212228056.db2.gz KAJQRDBYHQRTAS-UHFFFAOYSA-N 0 0 345.067 5.676 10 0 EKAERN Fc1ccc(Br)cc1CNc1cccc(Cl)c1Cl ZINC000021517171 212228137 /nfs/dbraw/zinc/22/81/37/212228137.db2.gz NJOAMTHSMKGSHD-UHFFFAOYSA-N 0 0 349.030 5.507 10 0 EKAERN Cc1cc(Br)ccc1NCc1c(F)cccc1Cl ZINC000021517321 212227888 /nfs/dbraw/zinc/22/78/88/212227888.db2.gz CUCVSJGGITUUQC-UHFFFAOYSA-N 0 0 328.612 5.162 10 0 EKAERN Nc1cc(Br)ccc1Sc1cc(Cl)ccc1Cl ZINC000021518186 212228369 /nfs/dbraw/zinc/22/83/69/212228369.db2.gz IAUGCXKAUWZXTF-UHFFFAOYSA-N 0 0 349.080 5.489 10 0 EKAERN Cc1ccc(N[C@H](C)c2c(F)cccc2F)c(Br)c1 ZINC000021520610 212227510 /nfs/dbraw/zinc/22/75/10/212227510.db2.gz JUBFHKGLLKEVLD-SNVBAGLBSA-N 0 0 326.184 5.209 10 0 EKAERN Cc1ccc(N[C@@H](C)c2c(F)cccc2F)c(Br)c1 ZINC000021520611 212227325 /nfs/dbraw/zinc/22/73/25/212227325.db2.gz JUBFHKGLLKEVLD-JTQLQIEISA-N 0 0 326.184 5.209 10 0 EKAERN C[C@@H](Nc1cc(Cl)ccc1Cl)c1ccc(Br)cc1 ZINC000021520955 212228013 /nfs/dbraw/zinc/22/80/13/212228013.db2.gz GTAVHAXJDJBCEU-SECBINFHSA-N 0 0 345.067 5.929 10 0 EKAERN C[C@H](Nc1cc(Cl)ccc1Cl)c1ccc(Br)cc1 ZINC000021520956 202066383 /nfs/dbraw/zinc/06/63/83/202066383.db2.gz GTAVHAXJDJBCEU-VIFPVBQESA-N 0 0 345.067 5.929 10 0 EKAERN Fc1ccc(CNc2ccc(Cl)cc2Cl)cc1Br ZINC000021521080 202066258 /nfs/dbraw/zinc/06/62/58/202066258.db2.gz DMHWGWFZMWUVPY-UHFFFAOYSA-N 0 0 349.030 5.507 10 0 EKAERN CC1CCC(Nc2ncnc3scc(-c4ccc(F)cc4)c32)CC1 ZINC000021643073 202067165 /nfs/dbraw/zinc/06/71/65/202067165.db2.gz WOJRUNLXNKNHRH-UHFFFAOYSA-N 0 0 341.455 5.488 10 0 EKAERN Cc1cc(N[C@H](C)c2ccc(F)c(F)c2)ccc1Br ZINC000021795212 212250777 /nfs/dbraw/zinc/25/07/77/212250777.db2.gz KSOQAXWQZAWLJE-SNVBAGLBSA-N 0 0 326.184 5.209 10 0 EKAERN Cc1cc(N[C@@H](C)c2ccc(F)c(F)c2)ccc1Br ZINC000021795214 212250883 /nfs/dbraw/zinc/25/08/83/212250883.db2.gz KSOQAXWQZAWLJE-JTQLQIEISA-N 0 0 326.184 5.209 10 0 EKAERN C[C@@H](Nc1cccc(Cl)c1Cl)c1ccc(Br)cc1 ZINC000021798231 212251467 /nfs/dbraw/zinc/25/14/67/212251467.db2.gz ZHEUUNFGTYSHQA-SECBINFHSA-N 0 0 345.067 5.929 10 0 EKAERN C[C@H](Nc1cccc(Cl)c1Cl)c1ccc(Br)cc1 ZINC000021798235 212251301 /nfs/dbraw/zinc/25/13/01/212251301.db2.gz ZHEUUNFGTYSHQA-VIFPVBQESA-N 0 0 345.067 5.929 10 0 EKAERN FC(F)(F)c1ccc(NCc2ccccc2Br)cc1 ZINC000021804890 212251706 /nfs/dbraw/zinc/25/17/06/212251706.db2.gz KAURFNBWWDHFDY-UHFFFAOYSA-N 0 0 330.147 5.080 10 0 EKAERN C[C@@H](Nc1cccc(Cl)c1Cl)c1ccc(Cl)cc1Cl ZINC000021805101 212251886 /nfs/dbraw/zinc/25/18/86/212251886.db2.gz DYVYISHSIYQKPS-MRVPVSSYSA-N 0 0 335.061 6.473 10 0 EKAERN C[C@H](Nc1cccc(Cl)c1Cl)c1ccc(Cl)cc1Cl ZINC000021805104 212252074 /nfs/dbraw/zinc/25/20/74/212252074.db2.gz DYVYISHSIYQKPS-QMMMGPOBSA-N 0 0 335.061 6.473 10 0 EKAERN CC(=O)c1ccc(Oc2ccc(Cl)cc2Br)c(F)c1 ZINC000021810928 212253483 /nfs/dbraw/zinc/25/34/83/212253483.db2.gz HPYQNRDRDLNUES-UHFFFAOYSA-N 0 0 343.579 5.237 10 0 EKAERN Clc1cccc(Cl)c1CNc1cccc(Br)c1 ZINC000021810968 212252738 /nfs/dbraw/zinc/25/27/38/212252738.db2.gz TZUBREUQIUVUND-UHFFFAOYSA-N 0 0 331.040 5.368 10 0 EKAERN Cc1ccc(NCc2c(Cl)cccc2Cl)c(Br)c1 ZINC000021815628 212253719 /nfs/dbraw/zinc/25/37/19/212253719.db2.gz HKZVKZSRFMRQKQ-UHFFFAOYSA-N 0 0 345.067 5.676 10 0 EKAERN Cc1ccc(Cl)cc1NCc1cc(Br)ccc1F ZINC000021817641 212252861 /nfs/dbraw/zinc/25/28/61/212252861.db2.gz CYWVTMPJAIXYBH-UHFFFAOYSA-N 0 0 328.612 5.162 10 0 EKAERN Clc1ccc(NCc2ccccc2Br)c(Cl)c1 ZINC000021818073 212253551 /nfs/dbraw/zinc/25/35/51/212253551.db2.gz CWAAFIGYGOKQEI-UHFFFAOYSA-N 0 0 331.040 5.368 10 0 EKAERN Clc1ccc(CCNc2ncc(Cl)cc2Cl)c(Cl)c1 ZINC000021818082 212253464 /nfs/dbraw/zinc/25/34/64/212253464.db2.gz GVOZMFQRZWZBAA-UHFFFAOYSA-N 0 0 336.049 5.350 10 0 EKAERN C[C@@H](Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)ccc1Cl ZINC000021818980 212253012 /nfs/dbraw/zinc/25/30/12/212253012.db2.gz IBROTIRRYISEEL-MRVPVSSYSA-N 0 0 335.061 6.473 10 0 EKAERN C[C@H](Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)ccc1Cl ZINC000021818982 212253854 /nfs/dbraw/zinc/25/38/54/212253854.db2.gz IBROTIRRYISEEL-QMMMGPOBSA-N 0 0 335.061 6.473 10 0 EKAERN CCCCC[C@@H]1CC[C@@H]2C[C@@H](OC(=O)c3ccc(F)cc3)CC[C@@H]2C1 ZINC000021981567 202076016 /nfs/dbraw/zinc/07/60/16/202076016.db2.gz KFRJKIFVWOCMMC-VELGLUOQSA-N 0 0 346.486 6.148 10 0 EKAERN CCCCCC(C)(C)c1cc(O)c(C(C)(C)CCCCC)cc1O ZINC000021986559 212267356 /nfs/dbraw/zinc/26/73/56/212267356.db2.gz YDUIJJIDQRTKQZ-UHFFFAOYSA-N 0 0 334.544 6.814 10 0 EKAERN COC(=O)c1ccc2c(c1)[nH]c(-c1ccccc1)c2C1CCCCC1 ZINC000021987312 212268223 /nfs/dbraw/zinc/26/82/23/212268223.db2.gz OWIMJGIQTVTIOT-UHFFFAOYSA-N 0 0 333.431 5.669 10 0 EKAERN Cc1ccc2nc(Nc3ccc(Oc4ccccc4)cc3)oc(=O)c2c1 ZINC000021993058 212268564 /nfs/dbraw/zinc/26/85/64/212268564.db2.gz WHEKXHXYMRSBOW-UHFFFAOYSA-N 0 0 344.370 5.032 10 0 EKAERN COCc1c(C(C)C)nc(C(C)C)c(C=O)c1-c1ccc(F)cc1 ZINC000022057780 202079144 /nfs/dbraw/zinc/07/91/44/202079144.db2.gz DQCMJHNXFPSODZ-UHFFFAOYSA-N 0 0 329.415 5.093 10 0 in-vitro EKAERN CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C ZINC000022066354 212275755 /nfs/dbraw/zinc/27/57/55/212275755.db2.gz ZELWYCSDHIFMOP-NBIQJRODSA-N 0 0 328.496 6.081 10 0 EKAERN CCOC(=O)/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000022066891 202078751 /nfs/dbraw/zinc/07/87/51/202078751.db2.gz BFYVSGCRUDETNO-JYQWTDEISA-N 0 0 332.528 6.695 10 0 in-vitro EKAERN CCOC(=O)CC(=O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000022067379 212275597 /nfs/dbraw/zinc/27/55/97/212275597.db2.gz JDITVCKWSUFDMU-IJNKXORISA-N 0 0 334.500 5.708 10 0 in-vitro EKAERN CC[C@@H](Nc1cccc(Cl)c1C)c1ccc(Br)cc1 ZINC000022147671 212278730 /nfs/dbraw/zinc/27/87/30/212278730.db2.gz PXLSBGBCBDBYNL-OAHLLOKOSA-N 0 0 338.676 5.974 10 0 EKAERN CC[C@H](Nc1cccc(Cl)c1C)c1ccc(Br)cc1 ZINC000022147676 212279408 /nfs/dbraw/zinc/27/94/08/212279408.db2.gz PXLSBGBCBDBYNL-HNNXBMFYSA-N 0 0 338.676 5.974 10 0 EKAERN Clc1cccc(CNc2ccccc2Br)c1Cl ZINC000022152446 212280302 /nfs/dbraw/zinc/28/03/02/212280302.db2.gz BYKREMDFHRZFKB-UHFFFAOYSA-N 0 0 331.040 5.368 10 0 EKAERN NC(=S)c1ccc(Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000022152693 212280219 /nfs/dbraw/zinc/28/02/19/212280219.db2.gz IEJMKUSTMJMFST-UHFFFAOYSA-N 0 0 331.655 5.025 10 0 EKAERN Cc1cc([C@@H](C)Nc2ccc(Br)cc2F)c(C)s1 ZINC000022153872 212279861 /nfs/dbraw/zinc/27/98/61/212279861.db2.gz FJEPJSFWPANVRA-SECBINFHSA-N 0 0 328.250 5.440 10 0 EKAERN Cc1cc([C@H](C)Nc2ccc(Br)cc2F)c(C)s1 ZINC000022153874 212280588 /nfs/dbraw/zinc/28/05/88/212280588.db2.gz FJEPJSFWPANVRA-VIFPVBQESA-N 0 0 328.250 5.440 10 0 EKAERN CCCCC[C@@H](O)c1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000022309080 202083459 /nfs/dbraw/zinc/08/34/59/202083459.db2.gz KTCZJNUHEQKQHJ-JOCHJYFZSA-N 0 0 335.447 5.428 10 0 EKAERN CCCCC[C@H](O)c1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000022309084 202083348 /nfs/dbraw/zinc/08/33/48/202083348.db2.gz KTCZJNUHEQKQHJ-QFIPXVFZSA-N 0 0 335.447 5.428 10 0 EKAERN CC(C)(C)c1cc(NC(=O)CCC2CCCC2)n(-c2ccccc2)n1 ZINC000022337790 212291923 /nfs/dbraw/zinc/29/19/23/212291923.db2.gz BUMZUAPKROMUIL-UHFFFAOYSA-N 0 0 339.483 5.079 10 0 EKAERN CCOc1ccc(-c2ccc(C(=O)N(C(C)C)C(C)C)s2)cc1 ZINC000022349217 202084202 /nfs/dbraw/zinc/08/42/02/202084202.db2.gz KZGXDGFKBALBPW-UHFFFAOYSA-N 0 0 331.481 5.073 10 0 EKAERN C[C@@H]1CCCN1C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000022625222 212313869 /nfs/dbraw/zinc/31/38/69/212313869.db2.gz IUXDRFRJQQXZKG-LLVKDONJSA-N 0 0 339.382 5.058 10 0 EKAERN C[C@H]1CCCN1C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1 ZINC000022625225 212313538 /nfs/dbraw/zinc/31/35/38/212313538.db2.gz IUXDRFRJQQXZKG-NSHDSACASA-N 0 0 339.382 5.058 10 0 EKAERN Clc1ccc(-c2nc(CSCc3ccccc3)cs2)cc1 ZINC000022650045 212314983 /nfs/dbraw/zinc/31/49/83/212314983.db2.gz RIARBBBOLWNLFF-UHFFFAOYSA-N 0 0 331.893 5.897 10 0 EKAERN Fc1cccc(F)c1-c1nc(CSCCc2ccccc2)cs1 ZINC000022662799 202090214 /nfs/dbraw/zinc/09/02/14/202090214.db2.gz WOKJGOTZSLHKIE-UHFFFAOYSA-N 0 0 347.455 5.564 10 0 EKAERN Clc1ccc(Oc2cccc(CNc3ccc4n[nH]cc4c3)c2)cc1 ZINC000023282610 212366240 /nfs/dbraw/zinc/36/62/40/212366240.db2.gz NBAIJNYMGVYAGV-UHFFFAOYSA-N 0 0 349.821 5.621 10 0 EKAERN CCCCCCOc1cc(C=O)c(OCCCCCC)cc1C=O ZINC000025757070 212496777 /nfs/dbraw/zinc/49/67/77/212496777.db2.gz QNZNMVAGYIDUKL-UHFFFAOYSA-N 0 0 334.456 5.230 10 0 EKAERN CCCCN(c1ccc2ccccc2n1)c1ccc2cccc(O)c2n1 ZINC000025782068 202136280 /nfs/dbraw/zinc/13/62/80/202136280.db2.gz IZRQFUMFIAHGCS-UHFFFAOYSA-N 0 0 343.430 5.427 10 0 EKAERN Nc1nc2ccc(Sc3ccc4ccccc4c3)cc2c(=S)[nH]1 ZINC000025967496 201384093 /nfs/dbraw/zinc/38/40/93/201384093.db2.gz XZPFNKSRMYMMDE-UHFFFAOYSA-N 0 0 335.457 5.179 10 0 EKAERN CCCCN(Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1OC ZINC000026400519 202142409 /nfs/dbraw/zinc/14/24/09/202142409.db2.gz USEVEOOSQPJQBZ-UHFFFAOYSA-N 0 0 346.858 5.183 10 0 EKAERN CC1(C)SC(=O)N(c2ccccc2)[C@H]1Nc1cccc(Cl)c1 ZINC000026479143 201060049 /nfs/dbraw/zinc/06/00/49/201060049.db2.gz YCXJKJGDCLDIKQ-OAHLLOKOSA-N 0 0 332.856 5.230 10 0 EKAERN CC1(C)SC(=O)N(c2ccccc2)[C@@H]1Nc1ccccc1Cl ZINC000026479148 201061210 /nfs/dbraw/zinc/06/12/10/201061210.db2.gz KVWOBULFBYVXKJ-HNNXBMFYSA-N 0 0 332.856 5.230 10 0 EKAERN Brc1ccc(-c2cn3ccccc3c2-c2ccccc2)cc1 ZINC000026479853 201060483 /nfs/dbraw/zinc/06/04/83/201060483.db2.gz ZFNDOTXTKMYZES-UHFFFAOYSA-N 0 0 348.243 6.036 10 0 EKAERN Cc1ccc(N2C(=O)c3ccccc3S[C@H]2c2ccc(F)cc2)cc1 ZINC000026507559 212523153 /nfs/dbraw/zinc/52/31/53/212523153.db2.gz HGKPIUCEALLRSC-NRFANRHFSA-N 0 0 349.430 5.585 10 0 EKAERN C[C@H](Cn1c2ccccc2nc1[C@@H](C)c1ccccc1)c1ccccc1 ZINC000026533495 212524214 /nfs/dbraw/zinc/52/42/14/212524214.db2.gz HYSVNKWCHLLMGA-MOPGFXCFSA-N 0 0 340.470 5.992 10 0 EKAERN CC(=O)N(c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1 ZINC000027027105 258005268 /nfs/dbraw/zinc/00/52/68/258005268.db2.gz CLVGSLHNFDFZMW-UHFFFAOYSA-N 0 0 328.824 5.148 10 0 EKAERN Cc1ccc2nc(SCC(=O)c3ccc(Cl)cc3)sc2c1 ZINC000027027176 258005517 /nfs/dbraw/zinc/00/55/17/258005517.db2.gz BJBUCBWMPPDDOS-UHFFFAOYSA-N 0 0 333.865 5.233 10 0 EKAERN CC(C)(C)c1cc(-c2cn3ccsc3n2)cc(C(C)(C)C)c1O ZINC000027105642 201387182 /nfs/dbraw/zinc/38/71/82/201387182.db2.gz KCALOMBBUXBPOY-UHFFFAOYSA-N 0 0 328.481 5.363 10 0 EKAERN C[C@@H](NC(=O)c1c(F)cccc1Cl)c1ccc2ccccc2c1 ZINC000027414457 212555973 /nfs/dbraw/zinc/55/59/73/212555973.db2.gz ODPQQNDDTIDZDK-GFCCVEGCSA-N 0 0 327.786 5.123 10 0 EKAERN C[C@H](NC(=O)c1c(F)cccc1Cl)c1ccc2ccccc2c1 ZINC000027414461 202154591 /nfs/dbraw/zinc/15/45/91/202154591.db2.gz ODPQQNDDTIDZDK-LBPRGKRZSA-N 0 0 327.786 5.123 10 0 EKAERN COC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1 ZINC000027429023 202155386 /nfs/dbraw/zinc/15/53/86/202155386.db2.gz LXQWWLANZWFJBQ-UHFFFAOYSA-N 0 0 344.241 5.327 10 0 EKAERN CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1 ZINC000027429172 202154801 /nfs/dbraw/zinc/15/48/01/202154801.db2.gz JEAJDLQMOILVMU-UHFFFAOYSA-N 0 0 328.242 5.743 10 0 EKAERN CC(C)CC[C@@H](CC(=O)Nc1nccs1)c1ccc(Cl)cc1 ZINC000027579132 212566700 /nfs/dbraw/zinc/56/67/00/212566700.db2.gz WPKWBRQMPCLGSQ-AWEZNQCLSA-N 0 0 336.888 5.345 10 0 EKAERN CC[C@@H](c1cc(O)ccc1Cl)[C@H](CC)c1cc(O)ccc1Cl ZINC000027650067 202158873 /nfs/dbraw/zinc/15/88/73/202158873.db2.gz RAOOGWHROGLOTA-OKILXGFUSA-N 0 0 339.262 6.092 10 0 EKAERN CC[C@@H](c1cc(O)cc(Cl)c1)[C@H](CC)c1cc(O)cc(Cl)c1 ZINC000027653944 212571348 /nfs/dbraw/zinc/57/13/48/212571348.db2.gz JUWIMOWOTINEJK-HDICACEKSA-N 0 0 339.262 6.092 10 0 EKAERN CCC(CC)n1c2ccc3ccccc3c2nc1-c1ccc(OC)cc1 ZINC000027705376 212574394 /nfs/dbraw/zinc/57/43/94/212574394.db2.gz IPQONBXFZNSMIL-UHFFFAOYSA-N 0 0 344.458 6.226 10 0 EKAERN CCCC(=O)Nc1nc(-c2ccc(-c3ccc(C)cc3)s2)cs1 ZINC000027913648 212585369 /nfs/dbraw/zinc/58/53/69/212585369.db2.gz ALEDPMSVKKHYRO-UHFFFAOYSA-N 0 0 342.489 5.586 10 0 EKAERN CCCC(=O)Nc1nc(-c2ccc(-c3ccc(F)cc3)s2)cs1 ZINC000027913899 212585108 /nfs/dbraw/zinc/58/51/08/212585108.db2.gz VHVNWRZDCFXBBM-UHFFFAOYSA-N 0 0 346.452 5.416 10 0 EKAERN FC(F)(F)Oc1ccc2[nH]c3c(c2c1)C[C@H](c1ccccc1)CC3 ZINC000027987202 212593100 /nfs/dbraw/zinc/59/31/00/212593100.db2.gz VAQKFEPVYUJOSJ-CYBMUJFWSA-N 0 0 331.337 5.339 10 0 EKAERN Clc1ccc(Cl)c(Nc2ncnc3sc4c(c32)CCC4)c1 ZINC000028165791 202165152 /nfs/dbraw/zinc/16/51/52/202165152.db2.gz NLYMRVATWVHNRO-UHFFFAOYSA-N 0 0 336.247 5.230 10 0 EKAERN Clc1cc(Cl)cc(Nc2ncnc3sc4c(c32)CCC4)c1 ZINC000028165796 212602086 /nfs/dbraw/zinc/60/20/86/212602086.db2.gz RVWTXABNFIMAJL-UHFFFAOYSA-N 0 0 336.247 5.230 10 0 EKAERN Cc1ccc(OCCn2c3ccccc3nc2-c2cccs2)cc1 ZINC000028188156 212601802 /nfs/dbraw/zinc/60/18/02/212601802.db2.gz IAUUTEUCIYALFD-UHFFFAOYSA-N 0 0 334.444 5.152 10 0 EKAERN Cc1ccc(OCCn2c3ccccc3nc2-c2cccs2)cc1C ZINC000028188164 202165483 /nfs/dbraw/zinc/16/54/83/202165483.db2.gz VWZPDVFTNYPSEE-UHFFFAOYSA-N 0 0 348.471 5.461 10 0 EKAERN O=C(c1ccc(COc2cccc3ccccc32)o1)N1CCCCCC1 ZINC000028227328 212606518 /nfs/dbraw/zinc/60/65/18/212606518.db2.gz AGTPEEXWAFVWDN-UHFFFAOYSA-N 0 0 349.430 5.028 10 0 EKAERN CCCCc1ccc(NC(=O)C2CCCCC2)c(Br)c1 ZINC000028284633 202169042 /nfs/dbraw/zinc/16/90/42/202169042.db2.gz COJSGQKOGNMCFH-UHFFFAOYSA-N 0 0 338.289 5.311 10 0 EKAERN Cc1cccnc1-c1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000028338626 202169072 /nfs/dbraw/zinc/16/90/72/202169072.db2.gz HNENYCYVYIYIHV-UHFFFAOYSA-N 0 0 344.458 5.607 10 0 EKAERN CC(C)(c1ccc(O)cc1Cl)C(C)(C)c1ccc(O)cc1Cl ZINC000028755534 212633394 /nfs/dbraw/zinc/63/33/94/212633394.db2.gz BSXFFVBQZHMBOS-UHFFFAOYSA-N 0 0 339.262 5.660 10 0 EKAERN CC(C)(c1cc(O)ccc1Cl)C(C)(C)c1cc(O)ccc1Cl ZINC000028757108 202176506 /nfs/dbraw/zinc/17/65/06/202176506.db2.gz LCERQKQSEWIBQV-UHFFFAOYSA-N 0 0 339.262 5.660 10 0 EKAERN CCC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cncnc1 ZINC000028766913 202176978 /nfs/dbraw/zinc/17/69/78/202176978.db2.gz NOWBVVFEIZJKLJ-UHFFFAOYSA-N 0 0 343.257 5.528 10 0 EKAERN CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cncnc1 ZINC000028769507 202176337 /nfs/dbraw/zinc/17/63/37/202176337.db2.gz PBJIUWJHFIQGEE-UHFFFAOYSA-N 0 0 329.230 5.138 10 0 EKAERN Clc1ccccc1[C@@H]1CC(c2ccc(-c3ccccc3)cc2)=NN1 ZINC000029128952 202181175 /nfs/dbraw/zinc/18/11/75/202181175.db2.gz OHIJITIPAWEVKB-NRFANRHFSA-N 0 0 332.834 5.446 10 0 EKAERN c1c2sc3cc(-c4ccccc4)sc3c2sc1-c1ccccc1 ZINC000030678523 212706431 /nfs/dbraw/zinc/70/64/31/212706431.db2.gz DHVHYUGTODNKLB-UHFFFAOYSA-N 0 0 348.517 7.512 10 0 EKAERN CC/C=C/C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC ZINC000030690562 202198147 /nfs/dbraw/zinc/19/81/47/202198147.db2.gz SSQPWTVBQMWLSZ-XAJGXLQPSA-N 0 0 330.512 6.471 10 0 in-vitro EKAERN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cc2ccccc2s1 ZINC000031332654 212732025 /nfs/dbraw/zinc/73/20/25/212732025.db2.gz PTBAEXYDEYQNSH-LBPRGKRZSA-N 0 0 329.852 5.388 10 0 EKAERN CC(C)=CCC/C(C)=C\COc1c2occc2cc2ccc(=O)oc21 ZINC000031456743 258003573 /nfs/dbraw/zinc/00/35/73/258003573.db2.gz SOVNCTNQAWWYAQ-DHDCSXOGSA-N 0 0 338.403 5.611 10 0 EKAERN Cc1cc(OC(=O)c2cccs2)c(C(C)C)cc1Br ZINC000031576660 201388482 /nfs/dbraw/zinc/38/84/82/201388482.db2.gz USCVXWYHYFTCBK-UHFFFAOYSA-N 0 0 339.254 5.162 10 0 EKAERN c1ccc(COc2ccc3cccnc3c2OCc2ccccc2)cc1 ZINC000031776958 212747857 /nfs/dbraw/zinc/74/78/57/212747857.db2.gz MMXNBGKZTAXEES-UHFFFAOYSA-N 0 0 341.410 5.393 10 0 EKAERN CCCCC1CCC(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 ZINC000031944000 212765821 /nfs/dbraw/zinc/76/58/21/212765821.db2.gz ZCGUTGKMLWANCU-UHFFFAOYSA-N 0 0 325.283 6.334 10 0 EKAERN CCCCCc1ccc(OC(=O)C2CCC(CCCCC)CC2)cc1 ZINC000032134136 202222282 /nfs/dbraw/zinc/22/22/82/202222282.db2.gz LRWYNCNGLGBMSP-UHFFFAOYSA-N 0 0 344.539 6.711 10 0 EKAERN CC/C=C/C/C=C/C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC ZINC000032175765 201070763 /nfs/dbraw/zinc/07/07/63/201070763.db2.gz VCDLWFYODNTQOT-RMIMTOJASA-N 0 0 342.523 6.637 10 0 EKAERN CCCCC/C=C/C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC ZINC000032175780 201070406 /nfs/dbraw/zinc/07/04/06/201070406.db2.gz ABGHYAFHPINIHF-GBNIJDIESA-N 0 0 346.555 7.085 10 0 EKAERN CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCCCC(=O)OC ZINC000032175784 212792084 /nfs/dbraw/zinc/79/20/84/212792084.db2.gz ABGHYAFHPINIHF-FFTKBTNWSA-N 0 0 346.555 7.085 10 0 EKAERN CCCC[C@H](CC)COC(=O)[C@H](C)Oc1ccc(Cl)cc1C ZINC000032208525 202222999 /nfs/dbraw/zinc/22/29/99/202222999.db2.gz NWTKQOOQEPXMMW-GJZGRUSLSA-N 0 0 326.864 5.175 10 0 EKAERN COc1ccc(Sc2ccc(-c3ccc(OC)cc3)s2)cc1 ZINC000032286421 212795864 /nfs/dbraw/zinc/79/58/64/212795864.db2.gz DJULIRVZDDSJQY-UHFFFAOYSA-N 0 0 328.458 5.584 10 0 EKAERN COc1ccc(N[C@@H](c2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000032500805 258003617 /nfs/dbraw/zinc/00/36/17/258003617.db2.gz HVJISVZXLHPHGQ-AWEZNQCLSA-N 0 0 330.642 5.219 10 0 EKAERN COc1ccc(N[C@H](c2ccccc2)C(Cl)(Cl)Cl)cc1 ZINC000032500807 258003476 /nfs/dbraw/zinc/00/34/76/258003476.db2.gz HVJISVZXLHPHGQ-CQSZACIVSA-N 0 0 330.642 5.219 10 0 EKAERN Cc1cc(=O)n(C(c2ccccc2)c2ccccc2)c2c(C)cccc12 ZINC000032526978 212808518 /nfs/dbraw/zinc/80/85/18/212808518.db2.gz LPATZSXAFDKGBO-UHFFFAOYSA-N 0 0 339.438 5.256 10 0 EKAERN O=C(CCSc1ccc2ccccc2n1)Nc1ccc(Cl)cc1 ZINC000032528147 202226963 /nfs/dbraw/zinc/22/69/63/202226963.db2.gz WJPZQAGCIGDUML-UHFFFAOYSA-N 0 0 342.851 5.009 10 0 EKAERN c1ccc(C(Sc2ccc3ccccc3n2)c2ccccc2)cc1 ZINC000032528183 212808101 /nfs/dbraw/zinc/80/81/01/212808101.db2.gz BDMBOZGGUVVYJE-UHFFFAOYSA-N 0 0 327.452 6.117 10 0 EKAERN Cc1cc(C)c2nc(SCc3nc4ccccc4[nH]3)cc(C)c2c1 ZINC000032529167 202226065 /nfs/dbraw/zinc/22/60/65/202226065.db2.gz PWQDTFZQLDGXPB-UHFFFAOYSA-N 0 0 333.460 5.329 10 0 EKAERN Cc1cc(C)c2c(c1)c(C)cc(=O)n2Cc1c(Cl)cccc1Cl ZINC000032530603 212808733 /nfs/dbraw/zinc/80/87/33/212808733.db2.gz DFCOGNHDFWGNAD-UHFFFAOYSA-N 0 0 346.257 5.282 10 0 EKAERN Cc1cc(C)c2c(c1)c(C)cc(=O)n2Cc1cccc2ccccc21 ZINC000032530611 202226036 /nfs/dbraw/zinc/22/60/36/202226036.db2.gz WGZMSGVGOICPFD-UHFFFAOYSA-N 0 0 327.427 5.128 10 0 EKAERN Cc1cc(C)c2c(c1)c(C)cc(=O)n2Cc1ccc(Cl)c(Cl)c1 ZINC000032530616 212808179 /nfs/dbraw/zinc/80/81/79/212808179.db2.gz ANAAMSULHGWCGM-UHFFFAOYSA-N 0 0 346.257 5.282 10 0 EKAERN Cc1cccc(OCCCCn2c(=O)cc(C)c3cc(C)cc(C)c32)c1 ZINC000032530741 212808316 /nfs/dbraw/zinc/80/83/16/212808316.db2.gz IPQDCBNSAJNNES-UHFFFAOYSA-N 0 0 349.474 5.094 10 0 EKAERN Cc1cc(C)c2c(c1)c(C)cc(=O)n2CCCCOc1ccccc1C ZINC000032530744 212808751 /nfs/dbraw/zinc/80/87/51/212808751.db2.gz VUAKGVMRGMOWAN-UHFFFAOYSA-N 0 0 349.474 5.094 10 0 EKAERN CC(C)c1nc2ccccc2c(Nc2cccc(Br)c2)n1 ZINC000032545362 212810982 /nfs/dbraw/zinc/81/09/82/212810982.db2.gz JQMKRKXQKUOAGM-UHFFFAOYSA-N 0 0 342.240 5.259 10 0 EKAERN COc1cccc2c(NC(=O)c3ccc(C(C)(C)C)cc3)cc(C)nc12 ZINC000032605840 202229052 /nfs/dbraw/zinc/22/90/52/202229052.db2.gz XLRPAUNBIKUOFC-UHFFFAOYSA-N 0 0 348.446 5.102 10 0 EKAERN Cc1cc(NC(=O)Nc2ccc(C(C)C)cc2)n(C2CCCC2)n1 ZINC000032609978 212817838 /nfs/dbraw/zinc/81/78/38/212817838.db2.gz ZIVWDSFONYBASE-UHFFFAOYSA-N 0 0 326.444 5.074 10 0 EKAERN CC[C@@H](C)NC(=O)c1cc(C)nc2c(-c3ccc(C)cc3)cccc12 ZINC000033036862 202248383 /nfs/dbraw/zinc/24/83/83/202248383.db2.gz LSMCWEIJGUKRKB-OAHLLOKOSA-N 0 0 332.447 5.047 10 0 EKAERN CC[C@H](C)NC(=O)c1cc(C)nc2c(-c3ccc(C)cc3)cccc12 ZINC000033036864 202248175 /nfs/dbraw/zinc/24/81/75/202248175.db2.gz LSMCWEIJGUKRKB-HNNXBMFYSA-N 0 0 332.447 5.047 10 0 EKAERN O=C(Nc1ccccc1)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000033124070 212900449 /nfs/dbraw/zinc/90/04/49/212900449.db2.gz DNSBMKCLOGCJJV-UHFFFAOYSA-N 0 0 345.427 5.607 10 0 EKAERN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)c1ccc(Cl)s1 ZINC000033191595 212905524 /nfs/dbraw/zinc/90/55/24/212905524.db2.gz YBPZKVJIMQKEIH-SSDOTTSWSA-N 0 0 334.655 5.199 10 0 EKAERN Cc1[nH]c2c(sc(C)c2C(=O)Nc2c(C)cc(C)cc2C)c1C ZINC000033280486 563972962 /nfs/dbraw/zinc/97/29/62/563972962.db2.gz DPRVQMXTQUAEGR-UHFFFAOYSA-N 0 0 326.465 5.332 10 0 EKAERN CSc1cccc(NC(=O)c2c(C)sc3c(C)c(C)[nH]c32)c1 ZINC000033280488 212914373 /nfs/dbraw/zinc/91/43/73/212914373.db2.gz AJLVZZHRDRVGTE-UHFFFAOYSA-N 0 0 330.478 5.129 10 0 EKAERN Cc1[nH]c2c(sc(C)c2C(=O)Nc2ccc(F)cc2Cl)c1C ZINC000033280495 563972954 /nfs/dbraw/zinc/97/29/54/563972954.db2.gz FVLAPVXEQBHYPZ-UHFFFAOYSA-N 0 0 336.819 5.199 10 0 EKAERN O=C(/C=C\c1cccc2ccccc12)Nc1ccc(Cl)c(Cl)c1 ZINC000033315845 202257350 /nfs/dbraw/zinc/25/73/50/202257350.db2.gz IHKHDCDAGFZYPG-FLIBITNWSA-N 0 0 342.225 5.799 10 0 EKAERN CC(C)Oc1c(Cl)cc(/C=C2/C(=O)Nc3ccccc32)cc1Cl ZINC000033316454 202257695 /nfs/dbraw/zinc/25/76/95/202257695.db2.gz TVHSPDYYIXPKER-NTUHNPAUSA-N 0 0 348.229 5.273 10 0 EKAERN COc1ccc(Cn2c(/C=C\c3ccccc3)nc3ccccc32)cc1 ZINC000033373109 212931496 /nfs/dbraw/zinc/93/14/96/212931496.db2.gz RKUCORTZMBHNKW-SSZFMOIBSA-N 0 0 340.426 5.264 10 0 EKAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1N(Cc1ccccc1)C(=O)c1ccco1 ZINC000033374182 212930814 /nfs/dbraw/zinc/93/08/14/212930814.db2.gz HNNCIRYDHPLEAA-HOJAQTOUSA-N 0 0 339.479 5.383 10 0 EKAERN CC(C)(C)c1ccc(/C=C\C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000033468890 202261688 /nfs/dbraw/zinc/26/16/88/202261688.db2.gz GWKGYPGCMYNHGH-RAXLEYEMSA-N 0 0 347.380 5.655 10 0 EKAERN CCCCc1ccc(NC(=O)/C=C\c2ccc(Cl)c(Cl)c2)cc1 ZINC000033511364 202263814 /nfs/dbraw/zinc/26/38/14/202263814.db2.gz VTXCZZDWHTZLOK-WQLSENKSSA-N 0 0 348.273 5.988 10 0 EKAERN Clc1nc(/C=C\c2ccccc2)nc2sc3c(c21)CCCC3 ZINC000033573535 212954342 /nfs/dbraw/zinc/95/43/42/212954342.db2.gz SKYDOBRKNVJEAO-KHPPLWFESA-N 0 0 326.852 5.394 10 0 EKAERN Clc1cccc2sc(Oc3cccc(Cl)c3Cl)nc21 ZINC000033608139 202267735 /nfs/dbraw/zinc/26/77/35/202267735.db2.gz KIXCOZQZWVZDBV-UHFFFAOYSA-N 0 0 330.623 6.049 10 0 EKAERN Clc1ccc(Cl)c(Oc2nc3c(cccc3Cl)s2)c1 ZINC000033608908 202268183 /nfs/dbraw/zinc/26/81/83/202268183.db2.gz FNNPZNCLCDPYGA-UHFFFAOYSA-N 0 0 330.623 6.049 10 0 EKAERN CCC(C)(C)c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1 ZINC000033609497 202268119 /nfs/dbraw/zinc/26/81/19/202268119.db2.gz RYHCBSRDOLORRF-UHFFFAOYSA-N 0 0 330.475 6.861 10 0 EKAERN Oc1ccc(O)c(C2CCCCCCC2)c1C1CCCCCCC1 ZINC000033610977 212956883 /nfs/dbraw/zinc/95/68/83/212956883.db2.gz SXJGRKIPOFQDCT-UHFFFAOYSA-N 0 0 330.512 6.754 10 0 EKAERN CN1c2ccccc2C(C)(C)/C1=C\C=C1/N(C)c2ccccc2C1(C)C ZINC000033618154 212956802 /nfs/dbraw/zinc/95/68/02/212956802.db2.gz ZCIHGSIBIABIPL-KBNZVFGVSA-N 0 0 344.502 5.609 10 0 EKAERN O=C(/C=C\c1ccc(Cl)c(Cl)c1)Nc1nc2ccccc2s1 ZINC000033625321 202268061 /nfs/dbraw/zinc/26/80/61/202268061.db2.gz ZYPOUZAJAYSZMO-VURMDHGXSA-N 0 0 349.242 5.255 10 0 EKAERN COc1ccc2c(c1)CCN(c1ccccc1)[C@@H]2c1ccccc1Cl ZINC000033638185 525527408 /nfs/dbraw/zinc/52/74/08/525527408.db2.gz VTCSPRDLJWCJAP-QFIPXVFZSA-N 0 0 349.861 5.501 10 0 EKAERN COc1ccc2c(c1)CCN(c1ccccc1)[C@@H]2c1cccc(Cl)c1 ZINC000033638201 525526231 /nfs/dbraw/zinc/52/62/31/525526231.db2.gz QTMHZXNYRSWGDP-JOCHJYFZSA-N 0 0 349.861 5.501 10 0 EKAERN CC[C@@H](C)c1ccc(NC(=O)/C=C\c2c(F)cccc2Cl)cc1 ZINC000033744361 202268822 /nfs/dbraw/zinc/26/88/22/202268822.db2.gz FYICAXRDIGRULK-YLGBQOPLSA-N 0 0 331.818 5.645 10 0 EKAERN CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OCC ZINC000033838841 212965319 /nfs/dbraw/zinc/96/53/19/212965319.db2.gz SSQPWTVBQMWLSZ-LRKAYDMASA-N 0 0 330.512 6.471 10 0 in-vitro EKAERN C[C@@H](c1ccc(O)c(F)c1)[C@H](CC(F)(F)F)c1ccc(O)c(F)c1 ZINC000033852264 212965226 /nfs/dbraw/zinc/96/52/26/212965226.db2.gz PRRSFMGODMUPJN-CABZTGNLSA-N 0 0 346.295 5.216 10 0 in-man EKAERN CC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000033950823 202271800 /nfs/dbraw/zinc/27/18/00/202271800.db2.gz JIGCTXHIECXYRJ-YDKXMDTRSA-N 0 0 338.576 6.935 10 0 endogenous,in-man EKAERN CC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000033950824 202271321 /nfs/dbraw/zinc/27/13/21/202271321.db2.gz JIGCTXHIECXYRJ-PBPDYRETSA-N 0 0 338.576 6.935 10 0 endogenous,in-man EKAERN CC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000033950825 212971898 /nfs/dbraw/zinc/97/18/98/212971898.db2.gz JIGCTXHIECXYRJ-REYVGQHQSA-N 0 0 338.576 6.935 10 0 endogenous,in-man EKAERN CCOP(=O)(OCC)O/C(=C\Cl)c1ccc(Cl)cc1F ZINC000033953728 202271051 /nfs/dbraw/zinc/27/10/51/202271051.db2.gz GRQGQYJGKUWSJE-WQLSENKSSA-N 0 0 343.118 5.214 10 0 EKAERN CC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C=CCC1(C)C ZINC000033955135 568415157 /nfs/dbraw/zinc/41/51/57/568415157.db2.gz FKPNTWPSTBQDNM-QHLGVNSISA-N 0 0 326.480 5.857 10 0 in-vitro EKAERN CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OC(C)C ZINC000033955208 212971909 /nfs/dbraw/zinc/97/19/09/212971909.db2.gz SDYPTODXHIAHDF-ACQXMXPUSA-N 0 0 340.548 5.946 10 0 EKAERN CCOC(=O)/C=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C ZINC000034078512 212973692 /nfs/dbraw/zinc/97/36/92/212973692.db2.gz ZELWYCSDHIFMOP-HAPIZUAHSA-N 0 0 328.496 6.081 10 0 in-vitro EKAERN Cc1ccc(-c2ccnc(-c3cc(-c4ccc(C)cc4)ccn3)c2)cc1 ZINC000034153409 212975312 /nfs/dbraw/zinc/97/53/12/212975312.db2.gz TXNYHQVSSDMQNS-UHFFFAOYSA-N 0 0 336.438 6.094 10 0 EKAERN CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3CCC(C(C)C)=CC3=CC[C@H]12 ZINC000034375321 212976338 /nfs/dbraw/zinc/97/63/38/212976338.db2.gz AGUBCDYYAKENKG-BLKABHOGSA-N 0 0 330.512 5.685 10 0 EKAERN CCOC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3CCC(C(C)C)=CC3=CC[C@@H]21 ZINC000034375327 202273392 /nfs/dbraw/zinc/27/33/92/202273392.db2.gz AGUBCDYYAKENKG-MPJJRAAHSA-N 0 0 330.512 5.685 10 0 EKAERN CC(C)=CCc1ccn(Cc2cccc3ccccc32)c1CC=C(C)C ZINC000034504079 212977423 /nfs/dbraw/zinc/97/74/23/212977423.db2.gz MRRVFTNZVJQPEI-UHFFFAOYSA-N 0 0 343.514 6.707 10 0 EKAERN Cc1cccc(-c2nc3ccccc3n2Cc2ccccc2Cl)c1 ZINC000034548827 202273454 /nfs/dbraw/zinc/27/34/54/202273454.db2.gz ZDRNTZSSXBZLPB-UHFFFAOYSA-N 0 0 332.834 5.713 10 0 EKAERN c1ccc(C(c2ccccc2)=C2CCN(c3ccccc3)CC2)cc1 ZINC000034784134 526460751 /nfs/dbraw/zinc/46/07/51/526460751.db2.gz QAPYQZUPEQRELE-UHFFFAOYSA-N 0 0 325.455 5.789 10 0 EKAERN O=C(Nc1c(-c2ccccc2)n[nH]c1-c1ccccc1)c1cccs1 ZINC000034796414 202277874 /nfs/dbraw/zinc/27/78/74/202277874.db2.gz KDCQKKFKZZGWEX-UHFFFAOYSA-N 0 0 345.427 5.058 10 0 EKAERN Cc1[nH]nc(-c2ccc(C(C)(C)C)cc2)c1NC(=O)Nc1ccccc1 ZINC000034796666 563481137 /nfs/dbraw/zinc/48/11/37/563481137.db2.gz BQFDKSQGKXAJOO-UHFFFAOYSA-N 0 0 348.450 5.327 10 0 EKAERN CCCc1c(-c2cc(C3CC3)c(C3CC3)nn2)cnn1-c1ccccc1 ZINC000034805031 212990374 /nfs/dbraw/zinc/99/03/74/212990374.db2.gz LJFFYOSJMUDELQ-UHFFFAOYSA-N 0 0 344.462 5.037 10 0 EKAERN Cc1nc2ccc(Cl)cc2c(=S)n1-c1ccc(C(C)C)cc1 ZINC000034820674 212990767 /nfs/dbraw/zinc/99/07/67/212990767.db2.gz OXKBMVDGFCNKEH-UHFFFAOYSA-N 0 0 328.868 5.840 10 0 EKAERN Cc1cc(C)nc(Nc2ccc(-c3nc4ccccc4s3)cc2)n1 ZINC000034886072 212993978 /nfs/dbraw/zinc/99/39/78/212993978.db2.gz OVITXYMLTGOZIF-UHFFFAOYSA-N 0 0 332.432 5.114 10 0 EKAERN Cc1cc(C)nc(Nc2cc(-c3nc4ccccc4s3)ccc2C)n1 ZINC000034886404 212994088 /nfs/dbraw/zinc/99/40/88/212994088.db2.gz RKLFAGVTTGRVSG-UHFFFAOYSA-N 0 0 346.459 5.422 10 0 EKAERN Clc1ccccc1-c1nc(COc2cccc3ccccc32)no1 ZINC000034906911 212996401 /nfs/dbraw/zinc/99/64/01/212996401.db2.gz AXVFRXPNEOETKH-UHFFFAOYSA-N 0 0 336.778 5.122 10 0 EKAERN Cc1cc(C)c(C)c(OCc2noc(-c3cccc4ccccc43)n2)c1 ZINC000034907001 202280499 /nfs/dbraw/zinc/28/04/99/202280499.db2.gz CSSYHXXNCUTVLJ-UHFFFAOYSA-N 0 0 344.414 5.394 10 0 EKAERN Cc1cc(C)c(C)c(OCc2noc(-c3ccc4ccccc4c3)n2)c1 ZINC000034907015 212995866 /nfs/dbraw/zinc/99/58/66/212995866.db2.gz IRLDZYQMFQZLBN-UHFFFAOYSA-N 0 0 344.414 5.394 10 0 EKAERN Clc1cccc(-c2nc(COc3cccc4ccccc43)no2)c1 ZINC000034907047 202280617 /nfs/dbraw/zinc/28/06/17/202280617.db2.gz GTIPGQJRPLZNGV-UHFFFAOYSA-N 0 0 336.778 5.122 10 0 EKAERN CCCC[C@@H](CC)C(=O)Nc1c(Cc2ccccc2)nc2ccccn21 ZINC000034913072 563485063 /nfs/dbraw/zinc/48/50/63/563485063.db2.gz ATKLFOGLIHMWMH-GOSISDBHSA-N 0 0 349.478 5.080 10 0 EKAERN CCCC[C@H](CC)C(=O)Nc1c(Cc2ccccc2)nc2ccccn21 ZINC000034913073 563485147 /nfs/dbraw/zinc/48/51/47/563485147.db2.gz ATKLFOGLIHMWMH-SFHVURJKSA-N 0 0 349.478 5.080 10 0 EKAERN Cc1ccc(S[C@@H](C)C(=O)c2ccc(Br)cc2)cc1 ZINC000034980655 202282231 /nfs/dbraw/zinc/28/22/31/202282231.db2.gz QODPWTHUSXLFPF-LBPRGKRZSA-N 0 0 335.266 5.121 10 0 EKAERN Cc1ccc(S[C@H](C)C(=O)c2ccc(Br)cc2)cc1 ZINC000034980656 213004058 /nfs/dbraw/zinc/00/40/58/213004058.db2.gz QODPWTHUSXLFPF-GFCCVEGCSA-N 0 0 335.266 5.121 10 0 EKAERN O=C(CSc1ccc(Cl)cc1)c1cc(Cl)sc1Cl ZINC000034990280 202282942 /nfs/dbraw/zinc/28/29/42/202282942.db2.gz CHNLPNKNSOYIKZ-UHFFFAOYSA-N 0 0 337.680 5.683 10 0 EKAERN Cc1ccc(SCC(=O)c2cc(Cl)sc2Cl)c(C)c1 ZINC000034990446 213003871 /nfs/dbraw/zinc/00/38/71/213003871.db2.gz LZBRBEYERHXNCV-UHFFFAOYSA-N 0 0 331.289 5.647 10 0 EKAERN FC(F)(F)c1ccc(-c2[nH]c3ccccc3c2-c2ccccc2)cc1 ZINC000035028046 202284551 /nfs/dbraw/zinc/28/45/51/202284551.db2.gz HPZYIGXEYNKBIS-UHFFFAOYSA-N 0 0 337.344 6.521 10 0 EKAERN FC(F)Sc1ccc(NCc2ccccc2Br)cc1 ZINC000035038271 213005264 /nfs/dbraw/zinc/00/52/64/213005264.db2.gz HVGQCAAYYBMDLX-UHFFFAOYSA-N 0 0 344.224 5.376 10 0 EKAERN FC(F)Sc1ccc(NCc2cccc(Br)c2)cc1 ZINC000035038281 213005196 /nfs/dbraw/zinc/00/51/96/213005196.db2.gz JXIBBXGNWZPYRL-UHFFFAOYSA-N 0 0 344.224 5.376 10 0 EKAERN FC(F)(F)c1cc(NCc2ccccc2)ccc1Br ZINC000035041975 202284432 /nfs/dbraw/zinc/28/44/32/202284432.db2.gz MPHGFGPUHRBGSH-UHFFFAOYSA-N 0 0 330.147 5.080 10 0 EKAERN O=C(CSc1ccccc1Br)c1ccc(Cl)s1 ZINC000035045051 213005851 /nfs/dbraw/zinc/00/58/51/213005851.db2.gz IWDHOSBOIADDAD-UHFFFAOYSA-N 0 0 347.686 5.139 10 0 EKAERN O=C(CSc1ccccc1Br)c1ccccc1Cl ZINC000035045060 213005371 /nfs/dbraw/zinc/00/53/71/213005371.db2.gz PFTGTRKKGRCUQN-UHFFFAOYSA-N 0 0 341.657 5.078 10 0 EKAERN COc1ccc(Cl)cc1NC(=O)Nc1ccc2ccccc2c1 ZINC000035049730 213004976 /nfs/dbraw/zinc/00/49/76/213004976.db2.gz XOUVDPVDGFUSDO-UHFFFAOYSA-N 0 0 326.783 5.146 10 0 EKAERN COc1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1Cl ZINC000035049731 213004706 /nfs/dbraw/zinc/00/47/06/213004706.db2.gz HZIBCMBJFYZJKL-UHFFFAOYSA-N 0 0 326.783 5.146 10 0 EKAERN COc1c(Br)cc(Cl)cc1NCc1cccc(C)c1 ZINC000035054057 213006221 /nfs/dbraw/zinc/00/62/21/213006221.db2.gz RKCXOWFPMLOXEU-UHFFFAOYSA-N 0 0 340.648 5.032 10 0 EKAERN C[C@H](Nc1cc(Cl)ccc1F)c1cccc(Br)c1 ZINC000035056699 213007133 /nfs/dbraw/zinc/00/71/33/213007133.db2.gz HNKQAMFQPSHXPW-VIFPVBQESA-N 0 0 328.612 5.415 10 0 EKAERN C[C@@H](Nc1cc(Cl)ccc1F)c1cccc(Br)c1 ZINC000035056701 213006423 /nfs/dbraw/zinc/00/64/23/213006423.db2.gz HNKQAMFQPSHXPW-SECBINFHSA-N 0 0 328.612 5.415 10 0 EKAERN Nc1ccc(SCc2ccc(Br)cc2F)c(Cl)c1 ZINC000035056820 202287041 /nfs/dbraw/zinc/28/70/41/202287041.db2.gz RLYPWYMCDAFERF-UHFFFAOYSA-N 0 0 346.652 5.116 10 0 EKAERN CC1=C(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)C(C)(C)CCC1 ZINC000035067033 213006060 /nfs/dbraw/zinc/00/60/60/213006060.db2.gz DEJGMHMHVYLZJB-UHFFFAOYSA-N 0 0 342.486 6.727 10 0 EKAERN O=C(C[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccccc1 ZINC000035076176 213006047 /nfs/dbraw/zinc/00/60/47/213006047.db2.gz QITBXTLPRYWCHX-FQEVSTJZSA-N 0 0 325.411 5.573 10 0 EKAERN O=C1c2ccsc2/C(=C\c2c[nH]c3ccccc23)c2ccccc21 ZINC000035080141 213006635 /nfs/dbraw/zinc/00/66/35/213006635.db2.gz JCEXYLQPPRZRCA-WQRHYEAKSA-N 0 0 327.408 5.363 10 0 EKAERN Cc1ccc(Cl)cc1NC(=O)/C=C\c1ccc(Cl)c(Cl)c1 ZINC000035166636 202288931 /nfs/dbraw/zinc/28/89/31/202288931.db2.gz PPIGXUGFUHKECY-DAXSKMNVSA-N 0 0 340.637 5.607 10 0 EKAERN COc1ccc(Cl)cc1CNc1ccc(Br)c(C)c1 ZINC000035180062 213013555 /nfs/dbraw/zinc/01/35/55/213013555.db2.gz ZIVSMLQKTSGCSO-UHFFFAOYSA-N 0 0 340.648 5.032 10 0 EKAERN COc1ccc(Cl)cc1CNc1ccc(C)cc1Br ZINC000035180115 213012754 /nfs/dbraw/zinc/01/27/54/213012754.db2.gz DYDWRZGWXZDRER-UHFFFAOYSA-N 0 0 340.648 5.032 10 0 EKAERN O=C(CSc1ccccc1Cl)c1ccc(Br)s1 ZINC000035182222 213013084 /nfs/dbraw/zinc/01/30/84/213013084.db2.gz RAQXZYAHNNXQTI-UHFFFAOYSA-N 0 0 347.686 5.139 10 0 EKAERN O=C(CSc1ccc(Br)cc1)c1ccccc1Cl ZINC000035182734 213013746 /nfs/dbraw/zinc/01/37/46/213013746.db2.gz OZDSURLRTMDICA-UHFFFAOYSA-N 0 0 341.657 5.078 10 0 EKAERN Cc1ccc(C)c(C(=O)CSc2ccc(Br)cc2)c1 ZINC000035182735 213013536 /nfs/dbraw/zinc/01/35/36/213013536.db2.gz MGSPQNKMCZZHJL-UHFFFAOYSA-N 0 0 335.266 5.041 10 0 EKAERN Cc1ccc(C(=O)CSc2ccc(Br)cc2)c(C)c1 ZINC000035182753 213013034 /nfs/dbraw/zinc/01/30/34/213013034.db2.gz VVPKBPGZWLFRPR-UHFFFAOYSA-N 0 0 335.266 5.041 10 0 EKAERN Cc1ccc(C(=O)CSc2ccc(Br)cc2)cc1C ZINC000035182777 213013702 /nfs/dbraw/zinc/01/37/02/213013702.db2.gz JGBXWHWVRIIYAX-UHFFFAOYSA-N 0 0 335.266 5.041 10 0 EKAERN O=C(CSc1ccc(Cl)cc1)c1cc(Cl)ccc1Cl ZINC000035183586 213012878 /nfs/dbraw/zinc/01/28/78/213012878.db2.gz HCIOKONSNAFFQT-UHFFFAOYSA-N 0 0 331.651 5.622 10 0 EKAERN Cc1ccc(SCC(=O)c2ccc(Br)cc2)c(C)c1 ZINC000035184590 202290242 /nfs/dbraw/zinc/29/02/42/202290242.db2.gz LJWRTEAUKUNEBY-UHFFFAOYSA-N 0 0 335.266 5.041 10 0 EKAERN O=C(CSc1cc(Cl)ccc1Cl)c1ccc(Cl)s1 ZINC000035184967 213013764 /nfs/dbraw/zinc/01/37/64/213013764.db2.gz BZBDDHHEIIYUOP-UHFFFAOYSA-N 0 0 337.680 5.683 10 0 EKAERN CC/C=C\C/C=C/C/C=C\CCCCCCCCCCCC(=O)OC ZINC000035224421 213015890 /nfs/dbraw/zinc/01/58/90/213015890.db2.gz RXNIYBHTXVTSAK-BKMIETEFSA-N 0 0 348.571 7.309 10 0 EKAERN Cc1ccc(N[C@@H](C)c2ccc(Cl)s2)c(Br)c1 ZINC000035285672 213018760 /nfs/dbraw/zinc/01/87/60/213018760.db2.gz JCHOFPYRWXZJJR-VIFPVBQESA-N 0 0 330.678 5.646 10 0 EKAERN Cc1ccc(N[C@H](C)c2ccc(Cl)s2)c(Br)c1 ZINC000035285674 202294095 /nfs/dbraw/zinc/29/40/95/202294095.db2.gz JCHOFPYRWXZJJR-SECBINFHSA-N 0 0 330.678 5.646 10 0 EKAERN Cc1cc(Br)ccc1N[C@@H](C)c1ccc(Cl)s1 ZINC000035285720 213018231 /nfs/dbraw/zinc/01/82/31/213018231.db2.gz DMOJBYKZKFAOBQ-VIFPVBQESA-N 0 0 330.678 5.646 10 0 EKAERN Cc1cc(Br)ccc1N[C@H](C)c1ccc(Cl)s1 ZINC000035285722 213018106 /nfs/dbraw/zinc/01/81/06/213018106.db2.gz DMOJBYKZKFAOBQ-SECBINFHSA-N 0 0 330.678 5.646 10 0 EKAERN C[C@H](Nc1ccc(Br)cc1F)c1ccc(Cl)s1 ZINC000035285756 213018458 /nfs/dbraw/zinc/01/84/58/213018458.db2.gz ZHBWMCQHLBVWSA-ZETCQYMHSA-N 0 0 334.641 5.476 10 0 EKAERN C[C@@H](Nc1ccc(Br)cc1F)c1ccc(Cl)s1 ZINC000035285757 213018255 /nfs/dbraw/zinc/01/82/55/213018255.db2.gz ZHBWMCQHLBVWSA-SSDOTTSWSA-N 0 0 334.641 5.476 10 0 EKAERN Cc1cc(N[C@@H](C)c2ccc(Cl)s2)ccc1Br ZINC000035285759 213018242 /nfs/dbraw/zinc/01/82/42/213018242.db2.gz VSONDADUXDINNZ-VIFPVBQESA-N 0 0 330.678 5.646 10 0 EKAERN Cc1cc(N[C@H](C)c2ccc(Cl)s2)ccc1Br ZINC000035285760 213018046 /nfs/dbraw/zinc/01/80/46/213018046.db2.gz VSONDADUXDINNZ-SECBINFHSA-N 0 0 330.678 5.646 10 0 EKAERN C[C@H](Nc1ccc(F)cc1Br)c1ccc(Cl)s1 ZINC000035286360 213018346 /nfs/dbraw/zinc/01/83/46/213018346.db2.gz FGIKMZKXBVUDII-ZETCQYMHSA-N 0 0 334.641 5.476 10 0 EKAERN C[C@@H](Nc1ccc(F)cc1Br)c1ccc(Cl)s1 ZINC000035286361 213018437 /nfs/dbraw/zinc/01/84/37/213018437.db2.gz FGIKMZKXBVUDII-SSDOTTSWSA-N 0 0 334.641 5.476 10 0 EKAERN O=C(c1ccc(Br)s1)c1cc(Cl)sc1Cl ZINC000035379364 213024784 /nfs/dbraw/zinc/02/47/84/213024784.db2.gz MDZFVNYRBINKRS-UHFFFAOYSA-N 0 0 342.066 5.110 10 0 EKAERN C[C@@H](CCc1ccco1)Nc1ccc(Br)cc1Cl ZINC000035452047 202302733 /nfs/dbraw/zinc/30/27/33/202302733.db2.gz BHGHITJYRSVECG-JTQLQIEISA-N 0 0 328.637 5.129 10 0 EKAERN C[C@H](CCc1ccco1)Nc1ccc(Br)cc1Cl ZINC000035452049 213029307 /nfs/dbraw/zinc/02/93/07/213029307.db2.gz BHGHITJYRSVECG-SNVBAGLBSA-N 0 0 328.637 5.129 10 0 EKAERN CN[C@@H](c1ccc(Cl)c(Cl)c1)c1c(Cl)cccc1Cl ZINC000035501657 213032210 /nfs/dbraw/zinc/03/22/10/213032210.db2.gz AYXOXHYZSHOXAV-AWEZNQCLSA-N 0 0 335.061 5.609 10 0 EKAERN CN[C@H](c1ccc(Cl)c(Cl)c1)c1c(Cl)cccc1Cl ZINC000035501658 213032435 /nfs/dbraw/zinc/03/24/35/213032435.db2.gz AYXOXHYZSHOXAV-CQSZACIVSA-N 0 0 335.061 5.609 10 0 EKAERN CN[C@H](c1cc(Cl)ccc1Cl)c1ccccc1Br ZINC000035501989 213034023 /nfs/dbraw/zinc/03/40/23/213034023.db2.gz NHVGYVBZIGQESY-AWEZNQCLSA-N 0 0 345.067 5.065 10 0 EKAERN CN[C@@H](c1cc(Cl)ccc1Cl)c1ccccc1Br ZINC000035501990 213034423 /nfs/dbraw/zinc/03/44/23/213034423.db2.gz NHVGYVBZIGQESY-CQSZACIVSA-N 0 0 345.067 5.065 10 0 EKAERN CNC(c1cc(Cl)ccc1Cl)c1cc(Cl)ccc1Cl ZINC000035502033 213034323 /nfs/dbraw/zinc/03/43/23/213034323.db2.gz OASJNGPNPOIIKJ-UHFFFAOYSA-N 0 0 335.061 5.609 10 0 EKAERN CN[C@H](c1cc(Cl)sc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000035502227 213034270 /nfs/dbraw/zinc/03/42/70/213034270.db2.gz PPLOUADEXQXCKT-NSHDSACASA-N 0 0 341.090 5.671 10 0 EKAERN CN[C@@H](c1cc(Cl)sc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000035502228 213033995 /nfs/dbraw/zinc/03/39/95/213033995.db2.gz PPLOUADEXQXCKT-LLVKDONJSA-N 0 0 341.090 5.671 10 0 EKAERN CN[C@H](c1cc(Cl)sc1Cl)c1cc(Cl)cc(Cl)c1 ZINC000035502323 213033953 /nfs/dbraw/zinc/03/39/53/213033953.db2.gz SISPYKSNJROICP-NSHDSACASA-N 0 0 341.090 5.671 10 0 EKAERN CN[C@@H](c1cc(Cl)sc1Cl)c1cc(Cl)cc(Cl)c1 ZINC000035502325 213033402 /nfs/dbraw/zinc/03/34/02/213033402.db2.gz SISPYKSNJROICP-LLVKDONJSA-N 0 0 341.090 5.671 10 0 EKAERN CN[C@H](c1cc(Cl)sc1Cl)c1cccc(Cl)c1Cl ZINC000035502400 213034199 /nfs/dbraw/zinc/03/41/99/213034199.db2.gz ILPFWUWIUZGKEM-NSHDSACASA-N 0 0 341.090 5.671 10 0 EKAERN CN[C@@H](c1cc(Cl)sc1Cl)c1cccc(Cl)c1Cl ZINC000035502403 202305149 /nfs/dbraw/zinc/30/51/49/202305149.db2.gz ILPFWUWIUZGKEM-LLVKDONJSA-N 0 0 341.090 5.671 10 0 EKAERN CN[C@@H](c1cc(Cl)sc1Cl)c1c(Cl)cccc1Cl ZINC000035502410 202305288 /nfs/dbraw/zinc/30/52/88/202305288.db2.gz ZCAQBNSAXMPSPH-NSHDSACASA-N 0 0 341.090 5.671 10 0 EKAERN CN[C@H](c1cc(Cl)sc1Cl)c1c(Cl)cccc1Cl ZINC000035502413 202304259 /nfs/dbraw/zinc/30/42/59/202304259.db2.gz ZCAQBNSAXMPSPH-LLVKDONJSA-N 0 0 341.090 5.671 10 0 EKAERN CN[C@H](c1cc(Cl)sc1Cl)c1cc(Cl)ccc1Cl ZINC000035502445 213033723 /nfs/dbraw/zinc/03/37/23/213033723.db2.gz OYAMAQNEESYXJB-NSHDSACASA-N 0 0 341.090 5.671 10 0 EKAERN CN[C@@H](c1cc(Cl)sc1Cl)c1cc(Cl)ccc1Cl ZINC000035502448 202304869 /nfs/dbraw/zinc/30/48/69/202304869.db2.gz OYAMAQNEESYXJB-LLVKDONJSA-N 0 0 341.090 5.671 10 0 EKAERN CCN[C@@H](c1ccc(Br)o1)c1cc(Cl)ccc1Cl ZINC000035558671 213037848 /nfs/dbraw/zinc/03/78/48/213037848.db2.gz UFKISKLRJSAXMN-CYBMUJFWSA-N 0 0 349.055 5.048 10 0 EKAERN CCN[C@H](c1ccc(Br)o1)c1cc(Cl)ccc1Cl ZINC000035558674 213037381 /nfs/dbraw/zinc/03/73/81/213037381.db2.gz UFKISKLRJSAXMN-ZDUSSCGKSA-N 0 0 349.055 5.048 10 0 EKAERN CCN[C@@H](c1cc(Cl)sc1Cl)c1ccc(F)cc1Cl ZINC000035559617 213037762 /nfs/dbraw/zinc/03/77/62/213037762.db2.gz DUJQTLBMTURIBB-GFCCVEGCSA-N 0 0 338.662 5.546 10 0 EKAERN Oc1cccc(-c2c(Cc3ccccc3)cnc3c(Cl)cccc32)c1 ZINC000035570426 213039367 /nfs/dbraw/zinc/03/93/67/213039367.db2.gz NSGJPGKDNDPXCY-UHFFFAOYSA-N 0 0 345.829 5.852 10 0 EKAERN OCCCCCCCCCSCCCC(F)(F)C(F)(F)F ZINC000035572109 213038437 /nfs/dbraw/zinc/03/84/37/213038437.db2.gz AZSKACXKBRDCBY-UHFFFAOYSA-N 0 0 336.410 5.420 10 0 in-vitro EKAERN Clc1ccc(C2=NN[C@H](c3ccc(Cl)cc3Cl)C2)cc1 ZINC000035576622 213039182 /nfs/dbraw/zinc/03/91/82/213039182.db2.gz WKZWPEZAIBIPQI-HNNXBMFYSA-N 0 0 325.626 5.086 10 0 EKAERN Clc1ccc(C2=NN[C@@H](c3ccc(Cl)cc3Cl)C2)cc1 ZINC000035576625 213039381 /nfs/dbraw/zinc/03/93/81/213039381.db2.gz WKZWPEZAIBIPQI-OAHLLOKOSA-N 0 0 325.626 5.086 10 0 EKAERN CCCN[C@@H](c1cc(Cl)sc1Cl)C(F)(F)C(F)(F)F ZINC000035585316 213039970 /nfs/dbraw/zinc/03/99/70/213039970.db2.gz MJQOITOZJPCOFK-ZETCQYMHSA-N 0 0 342.160 5.293 10 0 EKAERN CCCN[C@H](c1cc(Cl)sc1Cl)C(F)(F)C(F)(F)F ZINC000035585318 213040183 /nfs/dbraw/zinc/04/01/83/213040183.db2.gz MJQOITOZJPCOFK-SSDOTTSWSA-N 0 0 342.160 5.293 10 0 EKAERN CCCN[C@H](c1cc(Cl)sc1Cl)c1ccccc1Cl ZINC000035585338 213039813 /nfs/dbraw/zinc/03/98/13/213039813.db2.gz DIQBMUITFLYYAU-ZDUSSCGKSA-N 0 0 334.699 5.797 10 0 EKAERN CCCN[C@@H](c1cc(Cl)sc1Cl)c1ccccc1Cl ZINC000035585339 213040138 /nfs/dbraw/zinc/04/01/38/213040138.db2.gz DIQBMUITFLYYAU-CYBMUJFWSA-N 0 0 334.699 5.797 10 0 EKAERN C[C@H](O)c1c(F)cccc1Oc1ccc(Cl)cc1Br ZINC000035632420 213043683 /nfs/dbraw/zinc/04/36/83/213043683.db2.gz MEPGANGNHOMWRN-QMMMGPOBSA-N 0 0 345.595 5.087 10 0 EKAERN C[C@H](O)c1cc(F)ccc1Oc1ccc(Cl)cc1Br ZINC000035632428 213044242 /nfs/dbraw/zinc/04/42/42/213044242.db2.gz TYFKKIDCKHBGPL-QMMMGPOBSA-N 0 0 345.595 5.087 10 0 EKAERN C[C@H](O)c1c(F)cccc1Oc1ccc(Br)cc1Cl ZINC000035632464 213044010 /nfs/dbraw/zinc/04/40/10/213044010.db2.gz YDNVTOFQRNQXCL-QMMMGPOBSA-N 0 0 345.595 5.087 10 0 EKAERN C[C@@H](O)c1c(F)cccc1Oc1ccc(Br)cc1Cl ZINC000035632465 213044347 /nfs/dbraw/zinc/04/43/47/213044347.db2.gz YDNVTOFQRNQXCL-MRVPVSSYSA-N 0 0 345.595 5.087 10 0 EKAERN C[C@H](O)c1cc(F)ccc1Oc1ccc(Br)cc1Cl ZINC000035632472 213043813 /nfs/dbraw/zinc/04/38/13/213043813.db2.gz UKZQKTYLJVACQG-QMMMGPOBSA-N 0 0 345.595 5.087 10 0 EKAERN Cc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c(C)c1 ZINC000035654124 213043919 /nfs/dbraw/zinc/04/39/19/213043919.db2.gz AOIKEXZOZPOIBL-UHFFFAOYSA-N 0 0 337.426 5.489 10 0 EKAERN Fc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1 ZINC000035654126 213043905 /nfs/dbraw/zinc/04/39/05/213043905.db2.gz MYQQZCVIAQFISL-UHFFFAOYSA-N 0 0 327.362 5.012 10 0 EKAERN O=C(CSc1ccc(-c2cccs2)o1)Nc1cccc(Cl)c1 ZINC000035682627 213046346 /nfs/dbraw/zinc/04/63/46/213046346.db2.gz CWAPTPXZWBGHPP-UHFFFAOYSA-N 0 0 349.864 5.392 10 0 EKAERN C[C@H](Nc1nc2cc(Br)ccc2s1)c1cccs1 ZINC000035737224 202309929 /nfs/dbraw/zinc/30/99/29/202309929.db2.gz VLOJVDHDTZOXJJ-QMMMGPOBSA-N 0 0 339.283 5.293 10 0 EKAERN C[C@@H](Nc1nc2cc(Br)ccc2s1)c1cccs1 ZINC000035737225 213047639 /nfs/dbraw/zinc/04/76/39/213047639.db2.gz VLOJVDHDTZOXJJ-MRVPVSSYSA-N 0 0 339.283 5.293 10 0 EKAERN O=C(c1cc2ccccc2o1)N(Cc1ccco1)CC1CCCCC1 ZINC000035806403 202310233 /nfs/dbraw/zinc/31/02/33/202310233.db2.gz OYNUBXYFPFTLOX-UHFFFAOYSA-N 0 0 337.419 5.249 10 0 EKAERN Oc1ccc(-c2cncc(NCc3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000035858100 213050375 /nfs/dbraw/zinc/05/03/75/213050375.db2.gz HZZGASNLZCIERF-UHFFFAOYSA-N 0 0 345.229 5.373 10 0 EKAERN Cc1ccc(-c2c3ccccc3nn2Cc2ccccc2Cl)cc1 ZINC000035876050 213050905 /nfs/dbraw/zinc/05/09/05/213050905.db2.gz WBGNTTMPYAXOBD-UHFFFAOYSA-N 0 0 332.834 5.713 10 0 EKAERN Cc1ccc([C@@H](CC(=O)N[C@@H](C)C(C)C)c2c[nH]c3ccccc32)cc1 ZINC000035888468 202311006 /nfs/dbraw/zinc/31/10/06/202311006.db2.gz QAHHXKSPWPXZDC-FXAWDEMLSA-N 0 0 348.490 5.159 10 0 EKAERN Cc1ccc([C@H](CC(=O)N[C@@H](C)C(C)C)c2c[nH]c3ccccc32)cc1 ZINC000035888470 213051506 /nfs/dbraw/zinc/05/15/06/213051506.db2.gz QAHHXKSPWPXZDC-PXNSSMCTSA-N 0 0 348.490 5.159 10 0 EKAERN Cc1ccc([C@@H](CC(=O)N[C@H](C)C(C)C)c2c[nH]c3ccccc32)cc1 ZINC000035888472 202311145 /nfs/dbraw/zinc/31/11/45/202311145.db2.gz QAHHXKSPWPXZDC-YLJYHZDGSA-N 0 0 348.490 5.159 10 0 EKAERN Cc1ccc([C@H](CC(=O)N[C@H](C)C(C)C)c2c[nH]c3ccccc32)cc1 ZINC000035888474 213051852 /nfs/dbraw/zinc/05/18/52/213051852.db2.gz QAHHXKSPWPXZDC-XLIONFOSSA-N 0 0 348.490 5.159 10 0 EKAERN CCCn1c(C)c(C)c2ccnc(NCc3ccc(F)cc3C)c21 ZINC000035965241 202310610 /nfs/dbraw/zinc/31/06/10/202310610.db2.gz OCTNQULRSXTQRR-UHFFFAOYSA-N 0 0 325.431 5.123 10 0 EKAERN Cc1ccc(-c2c3ccccc3nn2Cc2ccc(Cl)cc2)cc1 ZINC000035965449 213052728 /nfs/dbraw/zinc/05/27/28/213052728.db2.gz CLUXFAXCBHHVSF-UHFFFAOYSA-N 0 0 332.834 5.713 10 0 EKAERN COc1ccc(Cn2nc3ccccc3c2-c2ccc(C)cc2)cc1 ZINC000035995496 213054420 /nfs/dbraw/zinc/05/44/20/213054420.db2.gz WGFNKMREZUSWJF-UHFFFAOYSA-N 0 0 328.415 5.069 10 0 EKAERN O[C@H](c1ccc(-c2ccccc2)cc1)c1ccccc1Br ZINC000035995678 201079322 /nfs/dbraw/zinc/07/93/22/201079322.db2.gz FOUQHYSCENXYCT-LJQANCHMSA-N 0 0 339.232 5.198 10 0 EKAERN Cc1cc(Cl)cc2c(Br)cc(-c3ccccc3)nc12 ZINC000036075458 213059848 /nfs/dbraw/zinc/05/98/48/213059848.db2.gz OUWISDDSZPJGRO-UHFFFAOYSA-N 0 0 332.628 5.626 10 0 EKAERN Cc1c(Cl)ccc2c(Br)cc(-c3ccccc3)nc12 ZINC000036075459 213059009 /nfs/dbraw/zinc/05/90/09/213059009.db2.gz GZUKBRDPOLEDQV-UHFFFAOYSA-N 0 0 332.628 5.626 10 0 EKAERN Cc1cc(Cl)c2nc(-c3ccccc3)cc(Br)c2c1 ZINC000036075460 213059003 /nfs/dbraw/zinc/05/90/03/213059003.db2.gz RGKFFDKWOVXWPY-UHFFFAOYSA-N 0 0 332.628 5.626 10 0 EKAERN Cc1cc(Br)cc2c(Cl)cc(-c3ccccc3)nc12 ZINC000036075690 213059255 /nfs/dbraw/zinc/05/92/55/213059255.db2.gz BLYGNQAUUNNIMD-UHFFFAOYSA-N 0 0 332.628 5.626 10 0 EKAERN Cc1cc2c(Cl)cc(-c3ccccc3)nc2cc1Br ZINC000036075698 213059666 /nfs/dbraw/zinc/05/96/66/213059666.db2.gz ZWMGWRREDOANHC-UHFFFAOYSA-N 0 0 332.628 5.626 10 0 EKAERN Cc1cc(Br)c2nc(-c3ccccc3)cc(Cl)c2c1 ZINC000036075702 213059233 /nfs/dbraw/zinc/05/92/33/213059233.db2.gz BBAQZDIOXQIUEF-UHFFFAOYSA-N 0 0 332.628 5.626 10 0 EKAERN COc1cc(Cl)cc2c(Br)cc(-c3ccccc3)nc12 ZINC000036075706 213059358 /nfs/dbraw/zinc/05/93/58/213059358.db2.gz DHPXTRMVNCPFIO-UHFFFAOYSA-N 0 0 348.627 5.326 10 0 EKAERN COc1ccc(Cl)c2nc(-c3ccccc3)cc(Br)c12 ZINC000036075709 213059808 /nfs/dbraw/zinc/05/98/08/213059808.db2.gz POOLLAYIVGLUGG-UHFFFAOYSA-N 0 0 348.627 5.326 10 0 EKAERN CCCc1cc(Br)c2cc(Br)cc(C)c2n1 ZINC000036075731 213059694 /nfs/dbraw/zinc/05/96/94/213059694.db2.gz OXQCVUQSDDWGOS-UHFFFAOYSA-N 0 0 343.062 5.021 10 0 EKAERN CCCc1cc(Br)c2ccc(Br)c(C)c2n1 ZINC000036075735 213059703 /nfs/dbraw/zinc/05/97/03/213059703.db2.gz LBPRBVFGIXUWSG-UHFFFAOYSA-N 0 0 343.062 5.021 10 0 EKAERN CCCc1cc(Br)c2cc(C)c(Br)cc2n1 ZINC000036075739 213059397 /nfs/dbraw/zinc/05/93/97/213059397.db2.gz GQUPJPIBAVSKSK-UHFFFAOYSA-N 0 0 343.062 5.021 10 0 EKAERN Clc1nc2sccc2c(Nc2ccc(Cl)c(Cl)c2)n1 ZINC000036277399 213080910 /nfs/dbraw/zinc/08/09/10/213080910.db2.gz JYYZLAWEBLXFJX-UHFFFAOYSA-N 0 0 330.627 5.395 10 0 EKAERN Clc1cc(Cl)cc(Nc2nc(Cl)nc3sccc32)c1 ZINC000036277412 213080976 /nfs/dbraw/zinc/08/09/76/213080976.db2.gz ZZASGNCICQTGLV-UHFFFAOYSA-N 0 0 330.627 5.395 10 0 EKAERN Clc1nc2sccc2c(Nc2c(Cl)cccc2Cl)n1 ZINC000036277425 213081185 /nfs/dbraw/zinc/08/11/85/213081185.db2.gz WWCZXHBYTDCGED-UHFFFAOYSA-N 0 0 330.627 5.395 10 0 EKAERN Clc1ccc(Cl)c(Nc2nc(Cl)nc3sccc32)c1 ZINC000036277437 202320754 /nfs/dbraw/zinc/32/07/54/202320754.db2.gz UGLPRAXHEXLMCG-UHFFFAOYSA-N 0 0 330.627 5.395 10 0 EKAERN Clc1ccc(Nc2nc(Cl)nc3sccc32)c(Cl)c1 ZINC000036277455 213080843 /nfs/dbraw/zinc/08/08/43/213080843.db2.gz XMRGJLLCKBRMCO-UHFFFAOYSA-N 0 0 330.627 5.395 10 0 EKAERN Clc1nc2sccc2c(Nc2cccc(Cl)c2Cl)n1 ZINC000036277460 213081380 /nfs/dbraw/zinc/08/13/80/213081380.db2.gz HWVIJPPTFUBSQX-UHFFFAOYSA-N 0 0 330.627 5.395 10 0 EKAERN Cc1cc(Br)cn2cc(-c3ccc(C(C)C)cc3)nc12 ZINC000036317404 213084585 /nfs/dbraw/zinc/08/45/85/213084585.db2.gz CUEOZQNBMCFWJX-UHFFFAOYSA-N 0 0 329.241 5.196 10 0 EKAERN CC(C)CCNC(=O)c1cncc(-c2ccc(-c3ccccc3)cc2)c1 ZINC000036349049 202322877 /nfs/dbraw/zinc/32/28/77/202322877.db2.gz RJVRFMCZYSFODV-UHFFFAOYSA-N 0 0 344.458 5.192 10 0 EKAERN CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CCC(C)=O ZINC000036379374 213091873 /nfs/dbraw/zinc/09/18/73/213091873.db2.gz HUCXKZBETONXFO-BSIOGKGQSA-N 0 0 330.556 7.501 10 0 EKAERN Clc1cccc(-c2nc3ccccc3nc2Cc2ccccc2)c1 ZINC000036416140 202326046 /nfs/dbraw/zinc/32/60/46/202326046.db2.gz PECPQSKQNAFOPO-UHFFFAOYSA-N 0 0 330.818 5.541 10 0 EKAERN c1oc2cc(-c3ccccc3)cc(-c3ccccc3)c2c1-c1ccccc1 ZINC000036440167 213098367 /nfs/dbraw/zinc/09/83/67/213098367.db2.gz SRPIVSBODUBBSL-UHFFFAOYSA-N 0 0 346.429 7.434 10 0 EKAERN CCN(CC)C(=C(SC)Sc1cccs1)N(CC)CC ZINC000036452556 213098863 /nfs/dbraw/zinc/09/88/63/213098863.db2.gz VSQOJLBLVDRDRL-UHFFFAOYSA-N 0 0 330.588 5.013 10 0 EKAERN C1=C\SCCCCCCS/C=C\SCCCCCCS/1 ZINC000036463444 213099206 /nfs/dbraw/zinc/09/92/06/213099206.db2.gz BHLAUWKIRKIKNI-RFIZXXDFSA-N 0 0 348.668 6.996 10 0 EKAERN CCCC(=O)Nc1nc(C)c(Cc2ccc(Cl)c(Cl)c2)s1 ZINC000036639195 213106166 /nfs/dbraw/zinc/10/61/66/213106166.db2.gz YQSLXTSFZQWHTN-UHFFFAOYSA-N 0 0 343.279 5.088 10 0 EKAERN Cc1nc(NC(=O)C2CCCCC2)sc1Cc1ccc(Cl)cc1 ZINC000036639534 213106282 /nfs/dbraw/zinc/10/62/82/213106282.db2.gz XWVSHJVHUAGIAO-UHFFFAOYSA-N 0 0 348.899 5.215 10 0 EKAERN Cc1nc(NC(=O)C2CCCCC2)sc1Cc1cccc(Cl)c1 ZINC000036639535 213105957 /nfs/dbraw/zinc/10/59/57/213105957.db2.gz IXNWTTGYKOSXJY-UHFFFAOYSA-N 0 0 348.899 5.215 10 0 EKAERN Cc1nc(NC(=O)C2CCCCC2)sc1Cc1ccccc1Cl ZINC000036639536 213106502 /nfs/dbraw/zinc/10/65/02/213106502.db2.gz JXABAWCMNWOVHO-UHFFFAOYSA-N 0 0 348.899 5.215 10 0 EKAERN O=C(c1ccc(-c2cc(Cl)c(Cl)cc2Cl)s1)C1CC1 ZINC000036666915 213108739 /nfs/dbraw/zinc/10/87/39/213108739.db2.gz NJGFEJJDOKHPQR-UHFFFAOYSA-N 0 0 331.651 5.968 10 0 EKAERN Cc1cc(Oc2cc(Br)ccc2CO)cc(C)c1Cl ZINC000036683382 213110019 /nfs/dbraw/zinc/11/00/19/213110019.db2.gz JRGLLYTWRKVRMP-UHFFFAOYSA-N 0 0 341.632 5.004 10 0 EKAERN CCCCC1CCC(C(=O)Nc2nc3c(cccc3F)s2)CC1 ZINC000036695319 213109460 /nfs/dbraw/zinc/10/94/60/213109460.db2.gz PANQHSZZZNYCLB-UHFFFAOYSA-N 0 0 334.460 5.371 10 0 EKAERN C[C@H](Nc1cc(Br)ccc1F)c1ccc(Cl)s1 ZINC000036750501 213115743 /nfs/dbraw/zinc/11/57/43/213115743.db2.gz WCAYOCIJFBRZFA-ZETCQYMHSA-N 0 0 334.641 5.476 10 0 EKAERN C[C@@H](Nc1cc(Br)ccc1F)c1ccc(Cl)s1 ZINC000036750503 213116562 /nfs/dbraw/zinc/11/65/62/213116562.db2.gz WCAYOCIJFBRZFA-SSDOTTSWSA-N 0 0 334.641 5.476 10 0 EKAERN Cc1cc([C@@H](C)Nc2cc(Br)ccc2F)c(C)s1 ZINC000036750620 202331228 /nfs/dbraw/zinc/33/12/28/202331228.db2.gz HOMNBVUBUUIGHL-SECBINFHSA-N 0 0 328.250 5.440 10 0 EKAERN Cc1cc([C@H](C)Nc2cc(Br)ccc2F)c(C)s1 ZINC000036750622 202330804 /nfs/dbraw/zinc/33/08/04/202330804.db2.gz HOMNBVUBUUIGHL-VIFPVBQESA-N 0 0 328.250 5.440 10 0 EKAERN Fc1ccc(Br)cc1NCc1cccc(Cl)c1Cl ZINC000036750753 213115826 /nfs/dbraw/zinc/11/58/26/213115826.db2.gz INRLPXNNFXRQHN-UHFFFAOYSA-N 0 0 349.030 5.507 10 0 EKAERN Fc1ccc(Br)cc1NCc1c(Cl)cccc1Cl ZINC000036750878 213116246 /nfs/dbraw/zinc/11/62/46/213116246.db2.gz BZXIOXHIKRLPRW-UHFFFAOYSA-N 0 0 349.030 5.507 10 0 EKAERN C[C@H](Nc1cc(Br)ccc1F)c1cccc(Cl)c1 ZINC000036750945 213116014 /nfs/dbraw/zinc/11/60/14/213116014.db2.gz FOCWUSWPOUOVGZ-VIFPVBQESA-N 0 0 328.612 5.415 10 0 EKAERN C[C@@H](Nc1cc(Br)ccc1F)c1cccc(Cl)c1 ZINC000036750950 213116306 /nfs/dbraw/zinc/11/63/06/213116306.db2.gz FOCWUSWPOUOVGZ-SECBINFHSA-N 0 0 328.612 5.415 10 0 EKAERN C[C@H](Nc1cc(Br)ccc1F)c1cc(F)ccc1F ZINC000036751031 213115737 /nfs/dbraw/zinc/11/57/37/213115737.db2.gz WXEYSADHJMSPJF-QMMMGPOBSA-N 0 0 330.147 5.040 10 0 EKAERN C[C@@H](Nc1cc(Br)ccc1F)c1cc(F)ccc1F ZINC000036751033 213115935 /nfs/dbraw/zinc/11/59/35/213115935.db2.gz WXEYSADHJMSPJF-MRVPVSSYSA-N 0 0 330.147 5.040 10 0 EKAERN C[C@@H](Nc1cc(Br)ccc1F)c1ccc(F)c(F)c1 ZINC000036751088 201792406 /nfs/dbraw/zinc/79/24/06/201792406.db2.gz ORPRMJWRBHHJSB-MRVPVSSYSA-N 0 0 330.147 5.040 10 0 EKAERN CC[C@H](Nc1cc(Br)ccc1F)c1ccc(Cl)cc1 ZINC000036751198 213116090 /nfs/dbraw/zinc/11/60/90/213116090.db2.gz VNZFVVKPNOVNCW-AWEZNQCLSA-N 0 0 342.639 5.805 10 0 EKAERN CC[C@@H](Nc1cc(Br)ccc1F)c1ccc(Cl)cc1 ZINC000036751201 213116267 /nfs/dbraw/zinc/11/62/67/213116267.db2.gz VNZFVVKPNOVNCW-CQSZACIVSA-N 0 0 342.639 5.805 10 0 EKAERN C[C@H](Nc1cc(Br)ccc1F)c1ccccc1Cl ZINC000036751351 213116321 /nfs/dbraw/zinc/11/63/21/213116321.db2.gz BJPDQXJRCBIAGG-VIFPVBQESA-N 0 0 328.612 5.415 10 0 EKAERN C[C@@H](Nc1cc(Br)ccc1F)c1ccccc1Cl ZINC000036751354 213116051 /nfs/dbraw/zinc/11/60/51/213116051.db2.gz BJPDQXJRCBIAGG-SECBINFHSA-N 0 0 328.612 5.415 10 0 EKAERN C[C@H](Nc1cc(Br)ccc1F)c1ccc(Cl)cc1 ZINC000036751356 202330097 /nfs/dbraw/zinc/33/00/97/202330097.db2.gz PNFXNFKFQWKAHH-VIFPVBQESA-N 0 0 328.612 5.415 10 0 EKAERN C[C@@H](Nc1cc(Br)ccc1F)c1ccc(Cl)cc1 ZINC000036751359 213116433 /nfs/dbraw/zinc/11/64/33/213116433.db2.gz PNFXNFKFQWKAHH-SECBINFHSA-N 0 0 328.612 5.415 10 0 EKAERN Fc1ccc(Br)cc1NCc1ccc(Cl)cc1Cl ZINC000036751453 213115843 /nfs/dbraw/zinc/11/58/43/213115843.db2.gz CUMFQIUQEFHCAA-UHFFFAOYSA-N 0 0 349.030 5.507 10 0 EKAERN Fc1ccc(Br)cc1NCc1ccc(Cl)c(Cl)c1 ZINC000036751553 213116150 /nfs/dbraw/zinc/11/61/50/213116150.db2.gz ZVTZXFXMOZHFJC-UHFFFAOYSA-N 0 0 349.030 5.507 10 0 EKAERN Clc1cccc(NC2CC(c3ccc(Br)cc3)C2)c1 ZINC000036842202 213122364 /nfs/dbraw/zinc/12/23/64/213122364.db2.gz XQIRNPRAWJRQKD-UHFFFAOYSA-N 0 0 336.660 5.461 10 0 EKAERN Clc1ccc(NC2CC(c3cccc(Br)c3)C2)cc1 ZINC000036842245 213122033 /nfs/dbraw/zinc/12/20/33/213122033.db2.gz SILQWVIKMOEGNW-UHFFFAOYSA-N 0 0 336.660 5.461 10 0 EKAERN Clc1ccc(NC2CC(c3ccc(Br)cc3)C2)cc1 ZINC000036842253 213123151 /nfs/dbraw/zinc/12/31/51/213123151.db2.gz ZJYSADQHPKYDNV-UHFFFAOYSA-N 0 0 336.660 5.461 10 0 EKAERN Clc1ccc(NC2CC(c3ccccc3Br)C2)cc1 ZINC000036842261 213122692 /nfs/dbraw/zinc/12/26/92/213122692.db2.gz GWPAFJTWPXQDAV-UHFFFAOYSA-N 0 0 336.660 5.461 10 0 EKAERN Clc1ccccc1NC1CC(c2cccc(Br)c2)C1 ZINC000036842375 213122159 /nfs/dbraw/zinc/12/21/59/213122159.db2.gz YPXIPRZMSGKJQE-UHFFFAOYSA-N 0 0 336.660 5.461 10 0 EKAERN Clc1ccccc1NC1CC(c2ccc(Br)cc2)C1 ZINC000036842379 213122222 /nfs/dbraw/zinc/12/22/22/213122222.db2.gz NFCZZIFYBDYZMV-UHFFFAOYSA-N 0 0 336.660 5.461 10 0 EKAERN S=c1[nH]c2cccc(Cl)c2n1-c1ccc(Cl)cc1Cl ZINC000036897803 213126566 /nfs/dbraw/zinc/12/65/66/213126566.db2.gz JRSDFKMRRWMMLO-UHFFFAOYSA-N 0 0 329.639 5.648 10 0 EKAERN S=c1[nH]c2cccc(Cl)c2n1-c1cccc(Cl)c1Cl ZINC000036898269 213125546 /nfs/dbraw/zinc/12/55/46/213125546.db2.gz DVFNNGXRHKKJAD-UHFFFAOYSA-N 0 0 329.639 5.648 10 0 EKAERN C[C@@H](c1cccs1)n1c(=S)[nH]c2cc(Br)ccc21 ZINC000036898562 213126346 /nfs/dbraw/zinc/12/63/46/213126346.db2.gz OEBZPDAAQHNYNL-QMMMGPOBSA-N 0 0 339.283 5.132 10 0 EKAERN C[C@H](c1cccs1)n1c(=S)[nH]c2cc(Br)ccc21 ZINC000036898563 213126150 /nfs/dbraw/zinc/12/61/50/213126150.db2.gz OEBZPDAAQHNYNL-MRVPVSSYSA-N 0 0 339.283 5.132 10 0 EKAERN Fc1ccc(Br)c2c(Cl)cc(-c3ccccc3)nc12 ZINC000036912735 213125482 /nfs/dbraw/zinc/12/54/82/213125482.db2.gz KTIFCZQUUUDLCU-UHFFFAOYSA-N 0 0 336.591 5.457 10 0 EKAERN O=C(c1ccc(-c2ccccc2)cc1)c1ccccc1Br ZINC000036940707 213126378 /nfs/dbraw/zinc/12/63/78/213126378.db2.gz OEXSQPUVQPGIIN-UHFFFAOYSA-N 0 0 337.216 5.347 10 0 EKAERN O=C(Cc1ccc(Br)cc1)c1csc2ccccc12 ZINC000036944869 213125839 /nfs/dbraw/zinc/12/58/39/213125839.db2.gz QKHBAKMRGWWZSR-UHFFFAOYSA-N 0 0 331.234 5.089 10 0 EKAERN C[C@H](N[C@@H](C)c1ccccc1Br)c1ccc(F)c(F)c1 ZINC000036945445 213127161 /nfs/dbraw/zinc/12/71/61/213127161.db2.gz ULAFGYDRULVEJM-QWRGUYRKSA-N 0 0 340.211 5.139 10 0 EKAERN C[C@@H](N[C@@H](C)c1ccccc1Br)c1ccc(F)c(F)c1 ZINC000036945446 213127127 /nfs/dbraw/zinc/12/71/27/213127127.db2.gz ULAFGYDRULVEJM-MNOVXSKESA-N 0 0 340.211 5.139 10 0 EKAERN C[C@@H](N[C@H](C)c1ccccc1Br)c1ccc(F)c(F)c1 ZINC000036945448 213127359 /nfs/dbraw/zinc/12/73/59/213127359.db2.gz ULAFGYDRULVEJM-GHMZBOCLSA-N 0 0 340.211 5.139 10 0 EKAERN FC(F)(F)c1cc(NC[C@H]2CC=CCC2)ccc1Br ZINC000036952117 213126912 /nfs/dbraw/zinc/12/69/12/213126912.db2.gz MUZUWGHKUHJKKL-JTQLQIEISA-N 0 0 334.179 5.236 10 0 EKAERN FC(F)(F)c1cc(NC[C@@H]2CC=CCC2)ccc1Br ZINC000036952118 213127464 /nfs/dbraw/zinc/12/74/64/213127464.db2.gz MUZUWGHKUHJKKL-SNVBAGLBSA-N 0 0 334.179 5.236 10 0 EKAERN FC(F)(F)c1cc(NC2CCCCCC2)ccc1Br ZINC000036952142 213127435 /nfs/dbraw/zinc/12/74/35/213127435.db2.gz NYAIFMZGNXAIRU-UHFFFAOYSA-N 0 0 336.195 5.603 10 0 EKAERN C[C@@H]1CCCC[C@H]1Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000036952152 201828406 /nfs/dbraw/zinc/82/84/06/201828406.db2.gz UWCRTOHFYYVUDQ-NOZJJQNGSA-N 0 0 336.195 5.459 10 0 EKAERN C[C@H]1CCCC[C@H]1Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000036952153 213127506 /nfs/dbraw/zinc/12/75/06/213127506.db2.gz UWCRTOHFYYVUDQ-TVQRCGJNSA-N 0 0 336.195 5.459 10 0 EKAERN C[C@H](Nc1ccc(Br)c(C(F)(F)F)c1)c1ccco1 ZINC000036952218 213127256 /nfs/dbraw/zinc/12/72/56/213127256.db2.gz FGDOMXZMPCRNBO-QMMMGPOBSA-N 0 0 334.135 5.234 10 0 EKAERN C[C@@H](Nc1ccc(Br)c(C(F)(F)F)c1)c1ccco1 ZINC000036952219 213127426 /nfs/dbraw/zinc/12/74/26/213127426.db2.gz FGDOMXZMPCRNBO-MRVPVSSYSA-N 0 0 334.135 5.234 10 0 EKAERN CC[C@H](Nc1ccccc1SC)c1ccc(Br)cc1 ZINC000036957194 213127621 /nfs/dbraw/zinc/12/76/21/213127621.db2.gz ATSHRINTKVTNJK-AWEZNQCLSA-N 0 0 336.298 5.734 10 0 EKAERN CC[C@@H](Nc1ccccc1SC)c1ccc(Br)cc1 ZINC000036957195 213127169 /nfs/dbraw/zinc/12/71/69/213127169.db2.gz ATSHRINTKVTNJK-CQSZACIVSA-N 0 0 336.298 5.734 10 0 EKAERN CCC[C@H](Nc1ccc(Br)cc1Cl)c1ccccc1 ZINC000036963626 213127619 /nfs/dbraw/zinc/12/76/19/213127619.db2.gz UHBWTCYWIBNTLV-HNNXBMFYSA-N 0 0 338.676 6.056 10 0 EKAERN CCC[C@@H](Nc1ccc(Br)cc1Cl)c1ccccc1 ZINC000036963627 213126965 /nfs/dbraw/zinc/12/69/65/213126965.db2.gz UHBWTCYWIBNTLV-OAHLLOKOSA-N 0 0 338.676 6.056 10 0 EKAERN Cc1ccc([C@H](C)Nc2ccc(Br)cc2Cl)cc1C ZINC000036963637 213127858 /nfs/dbraw/zinc/12/78/58/213127858.db2.gz FJQVVCOKXQOXMD-LBPRGKRZSA-N 0 0 338.676 5.892 10 0 EKAERN COc1ccc([C@@H](C)Nc2ccc(Br)cc2Cl)cc1 ZINC000036963668 213127124 /nfs/dbraw/zinc/12/71/24/213127124.db2.gz HRAZIXCXUFKTQM-SNVBAGLBSA-N 0 0 340.648 5.284 10 0 EKAERN COc1ccccc1[C@H](C)Nc1ccc(Br)cc1Cl ZINC000036963677 213127527 /nfs/dbraw/zinc/12/75/27/213127527.db2.gz UIRZOHBSJMNVPK-JTQLQIEISA-N 0 0 340.648 5.284 10 0 EKAERN COc1ccccc1[C@@H](C)Nc1ccc(Br)cc1Cl ZINC000036963678 213126944 /nfs/dbraw/zinc/12/69/44/213126944.db2.gz UIRZOHBSJMNVPK-SNVBAGLBSA-N 0 0 340.648 5.284 10 0 EKAERN Clc1cc(Br)ccc1Nc1nc2ccccc2s1 ZINC000036963743 213127266 /nfs/dbraw/zinc/12/72/66/213127266.db2.gz SXUQTGKMYLGKQT-UHFFFAOYSA-N 0 0 339.645 5.456 10 0 EKAERN C[C@@H](Nc1c(F)cc(F)cc1Br)c1ccc(F)cc1 ZINC000036963824 213127022 /nfs/dbraw/zinc/12/70/22/213127022.db2.gz VRAMUQBUTPOEDQ-MRVPVSSYSA-N 0 0 330.147 5.040 10 0 EKAERN C[C@H](Nc1ccc2sccc2c1)c1ccccc1Br ZINC000036976216 213129147 /nfs/dbraw/zinc/12/91/47/213129147.db2.gz SEXQPTOFAIECBN-NSHDSACASA-N 0 0 332.266 5.837 10 0 EKAERN CCC1CCC(Nc2cc(Cl)cc(Br)c2OC)CC1 ZINC000036981689 213129190 /nfs/dbraw/zinc/12/91/90/213129190.db2.gz PVLCKAURBLLHJU-UHFFFAOYSA-N 0 0 346.696 5.492 10 0 EKAERN COc1c(Br)cc(Cl)cc1N[C@@H](C)c1ccccc1 ZINC000036981878 213128341 /nfs/dbraw/zinc/12/83/41/213128341.db2.gz PMPLRXGGWIDWLR-JTQLQIEISA-N 0 0 340.648 5.284 10 0 EKAERN COc1c(Br)cc(Cl)cc1N[C@H](C)c1ccccc1 ZINC000036981879 213129119 /nfs/dbraw/zinc/12/91/19/213129119.db2.gz PMPLRXGGWIDWLR-SNVBAGLBSA-N 0 0 340.648 5.284 10 0 EKAERN COc1c(Br)cc(Cl)cc1N[C@H](C)c1ccc(C)o1 ZINC000036981884 213128044 /nfs/dbraw/zinc/12/80/44/213128044.db2.gz BNBLPFGQMQQCGG-SECBINFHSA-N 0 0 344.636 5.186 10 0 EKAERN COc1c(Br)cc(Cl)cc1N[C@@H](C)c1ccc(C)o1 ZINC000036981885 213128464 /nfs/dbraw/zinc/12/84/64/213128464.db2.gz BNBLPFGQMQQCGG-VIFPVBQESA-N 0 0 344.636 5.186 10 0 EKAERN CCCC(=O)c1ccc(-c2cc(Cl)c(Cl)cc2Cl)s1 ZINC000036984568 213129111 /nfs/dbraw/zinc/12/91/11/213129111.db2.gz JTMADQKKBPSQRE-UHFFFAOYSA-N 0 0 333.667 6.358 10 0 EKAERN CCCCC[C@@H](C)Nc1cc(Cl)cc(Br)c1OCC ZINC000036989161 213128567 /nfs/dbraw/zinc/12/85/67/213128567.db2.gz WJZIVKULFDSBDU-LLVKDONJSA-N 0 0 348.712 5.882 10 0 EKAERN CCCCC[C@H](C)Nc1cc(Cl)cc(Br)c1OCC ZINC000036989162 213128879 /nfs/dbraw/zinc/12/88/79/213128879.db2.gz WJZIVKULFDSBDU-NSHDSACASA-N 0 0 348.712 5.882 10 0 EKAERN CCOc1c(Br)cc(Cl)cc1NC1CCC(C)CC1 ZINC000036989210 213128718 /nfs/dbraw/zinc/12/87/18/213128718.db2.gz VTVKLMHDOAWVQQ-UHFFFAOYSA-N 0 0 346.696 5.492 10 0 EKAERN CCOc1c(Br)cc(Cl)cc1N[C@H]1CCC[C@H](C)C1 ZINC000036989224 201851672 /nfs/dbraw/zinc/85/16/72/201851672.db2.gz YHUQRLYSAJUZCY-JQWIXIFHSA-N 0 0 346.696 5.492 10 0 EKAERN CCOc1c(Br)cc(Cl)cc1N[C@H]1CCC[C@@H](C)C1 ZINC000036989226 213128642 /nfs/dbraw/zinc/12/86/42/213128642.db2.gz YHUQRLYSAJUZCY-PWSUYJOCSA-N 0 0 346.696 5.492 10 0 EKAERN CCOc1c(Br)cc(Cl)cc1NCC1CCCCC1 ZINC000036989242 213128213 /nfs/dbraw/zinc/12/82/13/213128213.db2.gz JXJIBQRGFBMEJF-UHFFFAOYSA-N 0 0 346.696 5.493 10 0 EKAERN CCOc1c(Br)cc(Cl)cc1NC(C1CC1)C1CC1 ZINC000036989307 213128482 /nfs/dbraw/zinc/12/84/82/213128482.db2.gz SLPIVTPRZVHMDC-UHFFFAOYSA-N 0 0 344.680 5.102 10 0 EKAERN CCc1cc(Oc2ccc(Br)cc2N)ccc1Cl ZINC000037024177 202335732 /nfs/dbraw/zinc/33/57/32/202335732.db2.gz JOJSHJYEMXPOOW-UHFFFAOYSA-N 0 0 326.621 5.039 10 0 EKAERN O=C(c1csc2ccccc12)c1cc(F)cc(Br)c1 ZINC000037034202 213131246 /nfs/dbraw/zinc/13/12/46/213131246.db2.gz BOBGNIWKOSZAJD-UHFFFAOYSA-N 0 0 335.197 5.034 10 0 EKAERN Nc1cc(Cl)ccc1SCc1cc(F)ccc1Br ZINC000037037158 213130911 /nfs/dbraw/zinc/13/09/11/213130911.db2.gz FONNYIIYULGLHZ-UHFFFAOYSA-N 0 0 346.652 5.116 10 0 EKAERN Cc1cc(Cl)c(CSc2ccc(Cl)cc2N)c(Cl)n1 ZINC000037037288 213131678 /nfs/dbraw/zinc/13/16/78/213131678.db2.gz JHNGMBXELCNICH-UHFFFAOYSA-N 0 0 333.671 5.225 10 0 EKAERN Brc1ccc(CNc2ccccc2-c2cccs2)o1 ZINC000037075660 213133417 /nfs/dbraw/zinc/13/34/17/213133417.db2.gz KGVCKRNUYXBYGA-UHFFFAOYSA-N 0 0 334.238 5.383 10 0 EKAERN C[C@H](Nc1c2nsnc2c(Cl)cc1Cl)c1cccs1 ZINC000037129206 213132445 /nfs/dbraw/zinc/13/24/45/213132445.db2.gz HNSSASHKZDJFBK-LURJTMIESA-N 0 0 330.265 5.233 10 0 EKAERN C[C@@H](Nc1c2nsnc2c(Cl)cc1Cl)c1cccs1 ZINC000037129207 213133097 /nfs/dbraw/zinc/13/30/97/213133097.db2.gz HNSSASHKZDJFBK-ZCFIWIBFSA-N 0 0 330.265 5.233 10 0 EKAERN Nc1ccc(SCc2csc(-c3ccccc3Cl)n2)cc1 ZINC000037181480 213135423 /nfs/dbraw/zinc/13/54/23/213135423.db2.gz RASOMCNCFCJUCM-UHFFFAOYSA-N 0 0 332.881 5.338 10 0 EKAERN CSc1cccc(N[C@@H](C)c2ccc(F)c(Br)c2)c1 ZINC000037188381 213135336 /nfs/dbraw/zinc/13/53/36/213135336.db2.gz GZEDCEKVKBSYKJ-JTQLQIEISA-N 0 0 340.261 5.483 10 0 EKAERN CSc1cccc(N[C@H](C)c2ccc(F)c(Br)c2)c1 ZINC000037188382 213135361 /nfs/dbraw/zinc/13/53/61/213135361.db2.gz GZEDCEKVKBSYKJ-SNVBAGLBSA-N 0 0 340.261 5.483 10 0 EKAERN CC[C@H](Nc1ccc(C)c(Cl)c1)c1cccc(Br)c1 ZINC000037188521 213135263 /nfs/dbraw/zinc/13/52/63/213135263.db2.gz DVORMDGYONIGCQ-INIZCTEOSA-N 0 0 338.676 5.974 10 0 EKAERN CC[C@@H](Nc1ccc(C)c(Cl)c1)c1cccc(Br)c1 ZINC000037188522 213135109 /nfs/dbraw/zinc/13/51/09/213135109.db2.gz DVORMDGYONIGCQ-MRXNPFEDSA-N 0 0 338.676 5.974 10 0 EKAERN Cc1ccc(N[C@@H]2CSCc3ccccc32)c(Br)c1 ZINC000037189095 213135349 /nfs/dbraw/zinc/13/53/49/213135349.db2.gz DYUOCGHCADWJNG-MRXNPFEDSA-N 0 0 334.282 5.158 10 0 EKAERN C[C@H](Nc1ccc(C(C)(C)C)cc1)c1sccc1Br ZINC000037196576 213135434 /nfs/dbraw/zinc/13/54/34/213135434.db2.gz VSWTVOHNMYLRSZ-NSHDSACASA-N 0 0 338.314 5.981 10 0 EKAERN Nc1cccc(Cl)c1SCc1cc(Br)ccc1F ZINC000037204357 202337326 /nfs/dbraw/zinc/33/73/26/202337326.db2.gz GFRSGUWWWGGTAF-UHFFFAOYSA-N 0 0 346.652 5.116 10 0 EKAERN Nc1ccc(SCc2cc(F)ccc2Br)c(Cl)c1 ZINC000037204497 202338019 /nfs/dbraw/zinc/33/80/19/202338019.db2.gz OYZVFYHFYYNVTQ-UHFFFAOYSA-N 0 0 346.652 5.116 10 0 EKAERN Nc1ccc(SCc2cc(Br)ccc2F)c(Cl)c1 ZINC000037205071 202337520 /nfs/dbraw/zinc/33/75/20/202337520.db2.gz BGZUBVNRXVUEDK-UHFFFAOYSA-N 0 0 346.652 5.116 10 0 EKAERN Nc1cc(Br)ccc1SCc1c(F)cccc1Cl ZINC000037205648 202337302 /nfs/dbraw/zinc/33/73/02/202337302.db2.gz XLTYBYODAYIBQW-UHFFFAOYSA-N 0 0 346.652 5.116 10 0 EKAERN Clc1cc(Cl)cc(Nc2nc3cccc(Cl)c3s2)c1 ZINC000037206453 201902112 /nfs/dbraw/zinc/90/21/12/201902112.db2.gz SQTCWIRGVZQIDU-UHFFFAOYSA-N 0 0 329.639 6.000 10 0 EKAERN Clc1cccc2nc(Nc3ccccc3Br)sc21 ZINC000037206613 202337822 /nfs/dbraw/zinc/33/78/22/202337822.db2.gz SEUQEEWDXNLWIR-UHFFFAOYSA-N 0 0 339.645 5.456 10 0 EKAERN CCCC[C@@H](CC)C(=O)c1cc(Br)ccc1OCC ZINC000037225870 213136070 /nfs/dbraw/zinc/13/60/70/213136070.db2.gz KHYYLHFZGMMPLS-GFCCVEGCSA-N 0 0 327.262 5.247 10 0 EKAERN CCCC[C@H](CC)C(=O)c1cc(Br)ccc1OCC ZINC000037225871 213136504 /nfs/dbraw/zinc/13/65/04/213136504.db2.gz KHYYLHFZGMMPLS-LBPRGKRZSA-N 0 0 327.262 5.247 10 0 EKAERN C[C@H](Nc1ccc(F)cc1Br)c1ccc(F)cc1Cl ZINC000037244780 213136554 /nfs/dbraw/zinc/13/65/54/213136554.db2.gz QJSRRYWGTBRDNB-QMMMGPOBSA-N 0 0 346.602 5.554 10 0 EKAERN C[C@@H](Nc1ccc(F)cc1Br)c1ccc(F)cc1Cl ZINC000037244782 213136462 /nfs/dbraw/zinc/13/64/62/213136462.db2.gz QJSRRYWGTBRDNB-MRVPVSSYSA-N 0 0 346.602 5.554 10 0 EKAERN CC(C)Oc1ccc(N[C@H](C)c2sccc2Br)cc1 ZINC000037246756 201926851 /nfs/dbraw/zinc/92/68/51/201926851.db2.gz VXJWEWFISNQGTN-LLVKDONJSA-N 0 0 340.286 5.471 10 0 EKAERN C[C@H](Nc1c(F)cccc1F)c1ccc(F)c(Br)c1 ZINC000037247309 213135975 /nfs/dbraw/zinc/13/59/75/213135975.db2.gz FSVWEPLIGGAUCK-QMMMGPOBSA-N 0 0 330.147 5.040 10 0 EKAERN C[C@@H](Nc1c(F)cccc1F)c1ccc(F)c(Br)c1 ZINC000037247311 213135702 /nfs/dbraw/zinc/13/57/02/213135702.db2.gz FSVWEPLIGGAUCK-MRVPVSSYSA-N 0 0 330.147 5.040 10 0 EKAERN CC(C)[C@H](Nc1c(Cl)cc(Cl)cc1Cl)c1cccs1 ZINC000037248911 213136557 /nfs/dbraw/zinc/13/65/57/213136557.db2.gz VGIULMLJXIIGHA-ZDUSSCGKSA-N 0 0 334.699 6.518 10 0 EKAERN CC(C)[C@@H](Nc1c(Cl)cc(Cl)cc1Cl)c1cccs1 ZINC000037248913 213136653 /nfs/dbraw/zinc/13/66/53/213136653.db2.gz VGIULMLJXIIGHA-CYBMUJFWSA-N 0 0 334.699 6.518 10 0 EKAERN COc1ccc(CNc2ccc(Br)cc2Cl)cc1C ZINC000037252897 213136861 /nfs/dbraw/zinc/13/68/61/213136861.db2.gz BGZPVGYVTNIKCG-UHFFFAOYSA-N 0 0 340.648 5.032 10 0 EKAERN CC(C)[C@H](Nc1ccc(Br)cc1Cl)c1ccccc1 ZINC000037252947 213135951 /nfs/dbraw/zinc/13/59/51/213135951.db2.gz QCDGPTWVNXAIAL-INIZCTEOSA-N 0 0 338.676 5.912 10 0 EKAERN CC(C)[C@@H](Nc1ccc(Br)cc1Cl)c1ccccc1 ZINC000037252949 213136279 /nfs/dbraw/zinc/13/62/79/213136279.db2.gz QCDGPTWVNXAIAL-MRXNPFEDSA-N 0 0 338.676 5.912 10 0 EKAERN CC[C@H](Nc1cc(Cl)ccc1F)c1cccc(Br)c1 ZINC000037256727 213137951 /nfs/dbraw/zinc/13/79/51/213137951.db2.gz NNCSWQJLSPPKCR-AWEZNQCLSA-N 0 0 342.639 5.805 10 0 EKAERN CC[C@@H](Nc1cc(Cl)ccc1F)c1cccc(Br)c1 ZINC000037256729 213137353 /nfs/dbraw/zinc/13/73/53/213137353.db2.gz NNCSWQJLSPPKCR-CQSZACIVSA-N 0 0 342.639 5.805 10 0 EKAERN Brc1ccc2sc(NCC3CCCCC3)nc2c1 ZINC000037259958 213137953 /nfs/dbraw/zinc/13/79/53/213137953.db2.gz QMCRXIPRTLCSPY-UHFFFAOYSA-N 0 0 325.275 5.051 10 0 EKAERN Fc1ccc(Br)cc1N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000037262231 213137366 /nfs/dbraw/zinc/13/73/66/213137366.db2.gz KKPOYBOOGXBTHA-OUCADQQQSA-N 0 0 326.253 5.359 10 0 EKAERN Fc1ccc(Br)cc1N[C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000037262232 201929039 /nfs/dbraw/zinc/92/90/39/201929039.db2.gz KKPOYBOOGXBTHA-SCRDCRAPSA-N 0 0 326.253 5.359 10 0 EKAERN Fc1ccc(Br)cc1N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000037262233 201929396 /nfs/dbraw/zinc/92/93/96/201929396.db2.gz KKPOYBOOGXBTHA-YRGRVCCFSA-N 0 0 326.253 5.359 10 0 EKAERN Fc1ccc(Br)cc1N[C@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000037262234 213137252 /nfs/dbraw/zinc/13/72/52/213137252.db2.gz KKPOYBOOGXBTHA-BZPMIXESSA-N 0 0 326.253 5.359 10 0 EKAERN C[C@H](Nc1cc(Br)ccc1F)c1ccc(F)cc1Cl ZINC000037262261 201928717 /nfs/dbraw/zinc/92/87/17/201928717.db2.gz WEWUZMWUBMAOSX-QMMMGPOBSA-N 0 0 346.602 5.554 10 0 EKAERN C[C@H](Nc1cccc2cnccc21)c1sccc1Br ZINC000037277759 213137343 /nfs/dbraw/zinc/13/73/43/213137343.db2.gz KSLRMVKUPWBPQB-JTQLQIEISA-N 0 0 333.254 5.232 10 0 EKAERN C[C@@H](Nc1cccc2cnccc21)c1sccc1Br ZINC000037277761 213138012 /nfs/dbraw/zinc/13/80/12/213138012.db2.gz KSLRMVKUPWBPQB-SNVBAGLBSA-N 0 0 333.254 5.232 10 0 EKAERN Cc1cc(C)c(C(=O)c2cc(Br)ccc2Cl)c(C)c1 ZINC000037287647 213138050 /nfs/dbraw/zinc/13/80/50/213138050.db2.gz HQXCOOODUXWXSY-UHFFFAOYSA-N 0 0 337.644 5.259 10 0 EKAERN Cc1cc(C(=O)c2cc(Br)ccc2Cl)c(C)s1 ZINC000037287684 202339174 /nfs/dbraw/zinc/33/91/74/202339174.db2.gz CTTATGLISRKIKQ-UHFFFAOYSA-N 0 0 329.646 5.012 10 0 EKAERN CC[C@@H](Nc1ccc(Cl)cc1F)c1cccc(Br)c1 ZINC000037297225 213139347 /nfs/dbraw/zinc/13/93/47/213139347.db2.gz KBTLZXNUOKJMQO-CQSZACIVSA-N 0 0 342.639 5.805 10 0 EKAERN Cc1ccc(Br)cc1N[C@@H](C)c1ccc(F)cc1Cl ZINC000037305659 213138876 /nfs/dbraw/zinc/13/88/76/213138876.db2.gz XRTCNNJSWWPKNG-JTQLQIEISA-N 0 0 342.639 5.723 10 0 EKAERN Cc1ccc(Br)cc1N[C@H](C)c1ccc(F)cc1Cl ZINC000037305660 213139591 /nfs/dbraw/zinc/13/95/91/213139591.db2.gz XRTCNNJSWWPKNG-SNVBAGLBSA-N 0 0 342.639 5.723 10 0 EKAERN CCOc1cc(F)ccc1N[C@@H](C)c1sccc1Br ZINC000037305850 201939454 /nfs/dbraw/zinc/93/94/54/201939454.db2.gz NYFASTUOPYFXHH-VIFPVBQESA-N 0 0 344.249 5.222 10 0 EKAERN CCOc1cc(F)ccc1N[C@H](C)c1sccc1Br ZINC000037305851 213138866 /nfs/dbraw/zinc/13/88/66/213138866.db2.gz NYFASTUOPYFXHH-SECBINFHSA-N 0 0 344.249 5.222 10 0 EKAERN Cc1ccc(NC(=O)C[C@@H](C)CC(C)(C)C)c(Br)c1 ZINC000037307092 213139220 /nfs/dbraw/zinc/13/92/20/213139220.db2.gz RUNVATPKDJQQMQ-GFCCVEGCSA-N 0 0 326.278 5.158 10 0 EKAERN Cc1ccc(NC(=O)C[C@H](C)CC(C)(C)C)c(Br)c1 ZINC000037307093 213138754 /nfs/dbraw/zinc/13/87/54/213138754.db2.gz RUNVATPKDJQQMQ-LBPRGKRZSA-N 0 0 326.278 5.158 10 0 EKAERN COc1c(C)ccc(N[C@@H](C)c2sccc2Br)c1C ZINC000037315599 213138670 /nfs/dbraw/zinc/13/86/70/213138670.db2.gz QHINLQIAUIHXEB-NSHDSACASA-N 0 0 340.286 5.309 10 0 EKAERN CCOCc1ccccc1N[C@H](C)c1sccc1Br ZINC000037320644 213140774 /nfs/dbraw/zinc/14/07/74/213140774.db2.gz ZHCKLZHNJXBFKM-LLVKDONJSA-N 0 0 340.286 5.220 10 0 EKAERN CC(C)C(=O)c1ccc(-c2c(Cl)cc(Cl)cc2Cl)s1 ZINC000037335467 213139837 /nfs/dbraw/zinc/13/98/37/213139837.db2.gz UCYVEGDCQBJYPE-UHFFFAOYSA-N 0 0 333.667 6.214 10 0 EKAERN Cc1csc(S[C@@H](C)C(=O)c2ccc(Cl)cc2Cl)n1 ZINC000037354471 213140467 /nfs/dbraw/zinc/14/04/67/213140467.db2.gz VLAFJQJRQDVQOV-QMMMGPOBSA-N 0 0 332.277 5.122 10 0 EKAERN Cc1csc(S[C@H](C)C(=O)c2ccc(Cl)cc2Cl)n1 ZINC000037354473 213140395 /nfs/dbraw/zinc/14/03/95/213140395.db2.gz VLAFJQJRQDVQOV-MRVPVSSYSA-N 0 0 332.277 5.122 10 0 EKAERN O=C(c1ccc(Br)cc1)c1ccc(-c2ccccc2)cc1 ZINC000037354736 213140978 /nfs/dbraw/zinc/14/09/78/213140978.db2.gz CAPRSQQRYDQDOI-UHFFFAOYSA-N 0 0 337.216 5.347 10 0 EKAERN COc1ccc(Br)cc1C(=O)C[C@H](C)CC(C)(C)C ZINC000037362986 213141464 /nfs/dbraw/zinc/14/14/64/213141464.db2.gz STYUFBUZWVTSDZ-NSHDSACASA-N 0 0 327.262 5.103 10 0 EKAERN COc1ccc(Br)cc1C(=O)C[C@@H](C)CC(C)(C)C ZINC000037362988 202340594 /nfs/dbraw/zinc/34/05/94/202340594.db2.gz STYUFBUZWVTSDZ-LLVKDONJSA-N 0 0 327.262 5.103 10 0 EKAERN O=C(c1csc2ccccc12)c1cc(Br)ccc1F ZINC000037363286 213141531 /nfs/dbraw/zinc/14/15/31/213141531.db2.gz WQCZXSREKUQMMU-UHFFFAOYSA-N 0 0 335.197 5.034 10 0 EKAERN O=C(c1csc2ccccc12)c1cc(F)ccc1Br ZINC000037363378 202339945 /nfs/dbraw/zinc/33/99/45/202339945.db2.gz NIBZOZGOFJOUBI-UHFFFAOYSA-N 0 0 335.197 5.034 10 0 EKAERN O=C(Cc1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 ZINC000037377409 213143385 /nfs/dbraw/zinc/14/33/85/213143385.db2.gz FBVQFGSQESPFRC-UHFFFAOYSA-N 0 0 344.035 5.181 10 0 EKAERN Fc1cccc(Cl)c1CNc1ccc(Br)cc1Cl ZINC000037388803 213142922 /nfs/dbraw/zinc/14/29/22/213142922.db2.gz BZMAHSDPJGKXAN-UHFFFAOYSA-N 0 0 349.030 5.507 10 0 EKAERN Clc1ccccc1CNc1ccc(Br)cc1Cl ZINC000037388804 202340584 /nfs/dbraw/zinc/34/05/84/202340584.db2.gz VLWDDSKMMOFZMY-UHFFFAOYSA-N 0 0 331.040 5.368 10 0 EKAERN Fc1ccc(CNc2ccc(Br)cc2Cl)c(Cl)c1 ZINC000037388853 213142654 /nfs/dbraw/zinc/14/26/54/213142654.db2.gz SQXWZGWJNNNWGJ-UHFFFAOYSA-N 0 0 349.030 5.507 10 0 EKAERN CSc1ccc(CNc2ccc(Br)cc2Cl)cc1 ZINC000037388871 202339825 /nfs/dbraw/zinc/33/98/25/202339825.db2.gz RNICKRJCHXFHBG-UHFFFAOYSA-N 0 0 342.689 5.437 10 0 EKAERN Cc1cc([C@@H](C)Nc2ccc(Br)cc2Cl)c(C)s1 ZINC000037392123 213143777 /nfs/dbraw/zinc/14/37/77/213143777.db2.gz NIPWJPPYEIHAEC-SECBINFHSA-N 0 0 344.705 5.954 10 0 EKAERN Cc1cc([C@H](C)Nc2ccc(Br)cc2Cl)c(C)s1 ZINC000037392124 213143811 /nfs/dbraw/zinc/14/38/11/213143811.db2.gz NIPWJPPYEIHAEC-VIFPVBQESA-N 0 0 344.705 5.954 10 0 EKAERN C[C@H](Nc1ccc(Br)cc1Cl)c1cc(F)ccc1F ZINC000037392216 213143744 /nfs/dbraw/zinc/14/37/44/213143744.db2.gz RHZBYNQCMCMHFE-QMMMGPOBSA-N 0 0 346.602 5.554 10 0 EKAERN C[C@@H](Nc1ccc(Br)cc1Cl)c1cc(F)ccc1F ZINC000037392217 213143661 /nfs/dbraw/zinc/14/36/61/213143661.db2.gz RHZBYNQCMCMHFE-MRVPVSSYSA-N 0 0 346.602 5.554 10 0 EKAERN Cc1ccc(C)c([C@@H](C)Nc2ccc(Br)cc2Cl)c1 ZINC000037392235 213143769 /nfs/dbraw/zinc/14/37/69/213143769.db2.gz SKQFDYMDAZXPGV-GFCCVEGCSA-N 0 0 338.676 5.892 10 0 EKAERN Cc1ccc(C)c([C@H](C)Nc2ccc(Br)cc2Cl)c1 ZINC000037392236 213143734 /nfs/dbraw/zinc/14/37/34/213143734.db2.gz SKQFDYMDAZXPGV-LBPRGKRZSA-N 0 0 338.676 5.892 10 0 EKAERN Cc1ccc([C@@H](C)Nc2ccc(Br)cc2Cl)c(C)c1 ZINC000037392239 213143773 /nfs/dbraw/zinc/14/37/73/213143773.db2.gz MLWIBQCQUSRYJX-GFCCVEGCSA-N 0 0 338.676 5.892 10 0 EKAERN Cc1ccc([C@H](C)Nc2ccc(Br)cc2Cl)c(C)c1 ZINC000037392240 213143579 /nfs/dbraw/zinc/14/35/79/213143579.db2.gz MLWIBQCQUSRYJX-LBPRGKRZSA-N 0 0 338.676 5.892 10 0 EKAERN CC[C@H](Nc1ccc(Br)cc1Cl)c1ccc(F)cc1 ZINC000037392260 213143625 /nfs/dbraw/zinc/14/36/25/213143625.db2.gz WTPWNCYPMVWKQD-AWEZNQCLSA-N 0 0 342.639 5.805 10 0 EKAERN CC[C@@H](Nc1ccc(Br)cc1Cl)c1ccc(F)cc1 ZINC000037392261 213143687 /nfs/dbraw/zinc/14/36/87/213143687.db2.gz WTPWNCYPMVWKQD-CQSZACIVSA-N 0 0 342.639 5.805 10 0 EKAERN CC[C@H](Nc1ccc(Br)cc1Cl)c1ccc(O)cc1 ZINC000037392262 213143589 /nfs/dbraw/zinc/14/35/89/213143589.db2.gz FYNOGTXTBFJFHL-AWEZNQCLSA-N 0 0 340.648 5.371 10 0 EKAERN CC[C@@H](Nc1ccc(Br)cc1Cl)c1ccc(O)cc1 ZINC000037392263 213143820 /nfs/dbraw/zinc/14/38/20/213143820.db2.gz FYNOGTXTBFJFHL-CQSZACIVSA-N 0 0 340.648 5.371 10 0 EKAERN COc1cccc([C@H](C)Nc2ccc(Br)cc2Cl)c1 ZINC000037392272 213143628 /nfs/dbraw/zinc/14/36/28/213143628.db2.gz UXSCZLXNCZUKOC-JTQLQIEISA-N 0 0 340.648 5.284 10 0 EKAERN COc1cccc([C@@H](C)Nc2ccc(Br)cc2Cl)c1 ZINC000037392273 201974960 /nfs/dbraw/zinc/97/49/60/201974960.db2.gz UXSCZLXNCZUKOC-SNVBAGLBSA-N 0 0 340.648 5.284 10 0 EKAERN Nc1cccc(Cl)c1Nc1ccc(Br)cc1Cl ZINC000037392369 213143752 /nfs/dbraw/zinc/14/37/52/213143752.db2.gz JAFGRRMSTGYXFY-UHFFFAOYSA-N 0 0 332.028 5.082 10 0 EKAERN Cc1cc(Br)ccc1NCc1cc(Cl)cc(Cl)c1 ZINC000037423338 213147322 /nfs/dbraw/zinc/14/73/22/213147322.db2.gz PVQFQIZRYCANRU-UHFFFAOYSA-N 0 0 345.067 5.676 10 0 EKAERN Clc1cc(Cl)cc(CNc2cccc(Br)c2)c1 ZINC000037423448 213146929 /nfs/dbraw/zinc/14/69/29/213146929.db2.gz UWOSTLURPXVCTK-UHFFFAOYSA-N 0 0 331.040 5.368 10 0 EKAERN Fc1ccc(Br)cc1NCc1cc(Cl)cc(Cl)c1 ZINC000037423911 213147373 /nfs/dbraw/zinc/14/73/73/213147373.db2.gz QUUUYCHLEPIJQY-UHFFFAOYSA-N 0 0 349.030 5.507 10 0 EKAERN Nc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000037428666 213147110 /nfs/dbraw/zinc/14/71/10/213147110.db2.gz MGZYLEJPMIPPEF-UHFFFAOYSA-N 0 0 337.033 5.461 10 0 EKAERN COc1ccc(C(=O)CCC2CCCCC2)c(Br)c1 ZINC000037444650 213147913 /nfs/dbraw/zinc/14/79/13/213147913.db2.gz BAIVNQJECACLMA-UHFFFAOYSA-N 0 0 325.246 5.001 10 0 EKAERN FC(F)(F)c1cc(Br)ccc1NCc1cccs1 ZINC000037518650 213153049 /nfs/dbraw/zinc/15/30/49/213153049.db2.gz KGGDOWHTKPZBAQ-UHFFFAOYSA-N 0 0 336.176 5.142 10 0 EKAERN CC(C)CC[C@@H](C)Nc1ccc(Br)cc1C(F)(F)F ZINC000037518718 202004102 /nfs/dbraw/zinc/00/41/02/202004102.db2.gz BYPAWNRFUUCWFU-SNVBAGLBSA-N 0 0 338.211 5.705 10 0 EKAERN CC(C)CC[C@H](C)Nc1ccc(Br)cc1C(F)(F)F ZINC000037518719 213152795 /nfs/dbraw/zinc/15/27/95/213152795.db2.gz BYPAWNRFUUCWFU-JTQLQIEISA-N 0 0 338.211 5.705 10 0 EKAERN C[C@H](Nc1ccc(Br)cc1C(F)(F)F)c1ccco1 ZINC000037518764 213153741 /nfs/dbraw/zinc/15/37/41/213153741.db2.gz HHUJZSGMNWJZPD-QMMMGPOBSA-N 0 0 334.135 5.234 10 0 EKAERN C[C@@H](Nc1ccc(Br)cc1C(F)(F)F)c1ccco1 ZINC000037518765 213152997 /nfs/dbraw/zinc/15/29/97/213152997.db2.gz HHUJZSGMNWJZPD-MRVPVSSYSA-N 0 0 334.135 5.234 10 0 EKAERN Cc1cc(-c2cncc(COc3ccc(F)cc3F)c2)ccc1F ZINC000037553856 202346827 /nfs/dbraw/zinc/34/68/27/202346827.db2.gz WBCMFJNNLDGESP-UHFFFAOYSA-N 0 0 329.321 5.053 10 0 EKAERN Fc1ccccc1OCc1cncc(-c2cc3ccccc3s2)c1 ZINC000037553865 213157080 /nfs/dbraw/zinc/15/70/80/213157080.db2.gz VSBLZWAUJFRFPF-UHFFFAOYSA-N 0 0 335.403 5.681 10 0 EKAERN CCOc1cccc(-c2cncc(COc3ccc(F)cc3F)c2)c1 ZINC000037554202 213157176 /nfs/dbraw/zinc/15/71/76/213157176.db2.gz KVXSDKVDIFFZFG-UHFFFAOYSA-N 0 0 341.357 5.005 10 0 EKAERN c1cc2c([nH]1)c(OCc1ccccc1)ccc2OCc1ccccc1 ZINC000037625161 526437600 /nfs/dbraw/zinc/43/76/00/526437600.db2.gz CIXQRSFMHKMIFN-UHFFFAOYSA-N 0 0 329.399 5.326 10 0 EKAERN CCSCc1nc2scc(-c3cccs3)c2c(Cl)n1 ZINC000037757055 202360273 /nfs/dbraw/zinc/36/02/73/202360273.db2.gz QPYZIBRZAYXXRM-UHFFFAOYSA-N 0 0 326.899 5.326 10 0 EKAERN C[C@H](N[C@@H](C)c1ccccc1F)c1sccc1Br ZINC000037764507 213165704 /nfs/dbraw/zinc/16/57/04/213165704.db2.gz ZGLOSRUICLPHCS-UWVGGRQHSA-N 0 0 328.250 5.062 10 0 EKAERN C[C@@H](N[C@@H](C)c1sccc1Br)c1ccccc1F ZINC000037764508 213165244 /nfs/dbraw/zinc/16/52/44/213165244.db2.gz ZGLOSRUICLPHCS-ZJUUUORDSA-N 0 0 328.250 5.062 10 0 EKAERN C[C@@H](N[C@@H](C)c1ccccc1F)c1sccc1Br ZINC000037764509 202361726 /nfs/dbraw/zinc/36/17/26/202361726.db2.gz ZGLOSRUICLPHCS-VHSXEESVSA-N 0 0 328.250 5.062 10 0 EKAERN C[C@@H](N[C@H](C)c1ccccc1F)c1sccc1Br ZINC000037764510 213166002 /nfs/dbraw/zinc/16/60/02/213166002.db2.gz ZGLOSRUICLPHCS-NXEZZACHSA-N 0 0 328.250 5.062 10 0 EKAERN Cc1ncsc1[C@H](C)Nc1c(C)cc(Br)cc1C ZINC000037772378 202363345 /nfs/dbraw/zinc/36/33/45/202363345.db2.gz LFNPNWMATYNOCP-NSHDSACASA-N 0 0 325.275 5.004 10 0 EKAERN Cc1ncsc1[C@@H](C)Nc1c(C)cc(Br)cc1C ZINC000037772379 213166274 /nfs/dbraw/zinc/16/62/74/213166274.db2.gz LFNPNWMATYNOCP-LLVKDONJSA-N 0 0 325.275 5.004 10 0 EKAERN Cc1nc([C@H](C)Nc2c(C)cc(Br)cc2C)cs1 ZINC000037772400 213165518 /nfs/dbraw/zinc/16/55/18/213165518.db2.gz QBNBWMIYWYHHTC-JTQLQIEISA-N 0 0 325.275 5.004 10 0 EKAERN Cc1nc([C@@H](C)Nc2c(C)cc(Br)cc2C)cs1 ZINC000037772401 213165977 /nfs/dbraw/zinc/16/59/77/213165977.db2.gz QBNBWMIYWYHHTC-SNVBAGLBSA-N 0 0 325.275 5.004 10 0 EKAERN Cc1nc([C@H](C)Nc2c(C)cc(Br)cc2C)c(C)s1 ZINC000037772424 213164976 /nfs/dbraw/zinc/16/49/76/213164976.db2.gz CQUWGIKSSKZGGM-JTQLQIEISA-N 0 0 339.302 5.312 10 0 EKAERN Cc1nc([C@@H](C)Nc2c(C)cc(Br)cc2C)c(C)s1 ZINC000037772425 213165533 /nfs/dbraw/zinc/16/55/33/213165533.db2.gz CQUWGIKSSKZGGM-SNVBAGLBSA-N 0 0 339.302 5.312 10 0 EKAERN CCOc1ccc(NCc2cc(Br)cs2)cc1Cl ZINC000037773457 202363589 /nfs/dbraw/zinc/36/35/89/202363589.db2.gz ULDWGVLYHCRXGJ-UHFFFAOYSA-N 0 0 346.677 5.175 10 0 EKAERN COc1cc(Br)cc(C)c1N[C@@H](C)c1cccs1 ZINC000037776725 213167638 /nfs/dbraw/zinc/16/76/38/213167638.db2.gz VDKQHAXHVCUHIU-JTQLQIEISA-N 0 0 326.259 5.001 10 0 EKAERN COc1cc(Br)cc(C)c1N[C@H](C)c1cccs1 ZINC000037776726 202363350 /nfs/dbraw/zinc/36/33/50/202363350.db2.gz VDKQHAXHVCUHIU-SNVBAGLBSA-N 0 0 326.259 5.001 10 0 EKAERN CCSc1ccccc1NCc1ccc(Br)s1 ZINC000037779146 213167214 /nfs/dbraw/zinc/16/72/14/213167214.db2.gz WPMIMVPUTPOETR-UHFFFAOYSA-N 0 0 328.300 5.235 10 0 EKAERN CCSc1ccccc1NCc1csc(Br)c1 ZINC000037779348 213166389 /nfs/dbraw/zinc/16/63/89/213166389.db2.gz ZTLAMCWHZBHBAQ-UHFFFAOYSA-N 0 0 328.300 5.235 10 0 EKAERN CCSc1ccccc1NCc1cc(Br)cs1 ZINC000037779379 213166948 /nfs/dbraw/zinc/16/69/48/213166948.db2.gz MMSWBAFZFSMUSV-UHFFFAOYSA-N 0 0 328.300 5.235 10 0 EKAERN CCOc1cccc(N[C@@H](C)c2sccc2Br)c1 ZINC000037780437 202363621 /nfs/dbraw/zinc/36/36/21/202363621.db2.gz JFXPVXAPVOAYLD-JTQLQIEISA-N 0 0 326.259 5.082 10 0 EKAERN CCOc1cccc(N[C@H](C)c2sccc2Br)c1 ZINC000037780438 213167209 /nfs/dbraw/zinc/16/72/09/213167209.db2.gz JFXPVXAPVOAYLD-SNVBAGLBSA-N 0 0 326.259 5.082 10 0 EKAERN COc1cc(C)ccc1N[C@@H](C)c1sccc1Br ZINC000037783348 213167399 /nfs/dbraw/zinc/16/73/99/213167399.db2.gz RKMIZNXKPSQFHD-JTQLQIEISA-N 0 0 326.259 5.001 10 0 EKAERN COc1cc(C)ccc1N[C@H](C)c1sccc1Br ZINC000037783349 213166731 /nfs/dbraw/zinc/16/67/31/213166731.db2.gz RKMIZNXKPSQFHD-SNVBAGLBSA-N 0 0 326.259 5.001 10 0 EKAERN Cc1nn(C(C)C)c(C)c1N[C@@H](C)c1sccc1Br ZINC000037787592 213167042 /nfs/dbraw/zinc/16/70/42/213167042.db2.gz VCLWSEHDRCNBIH-JTQLQIEISA-N 0 0 342.306 5.078 10 0 EKAERN Cc1nn(C(C)C)c(C)c1N[C@H](C)c1sccc1Br ZINC000037787593 213166839 /nfs/dbraw/zinc/16/68/39/213166839.db2.gz VCLWSEHDRCNBIH-SNVBAGLBSA-N 0 0 342.306 5.078 10 0 EKAERN Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccccc3)nnc2c1 ZINC000037858316 202372343 /nfs/dbraw/zinc/37/23/43/202372343.db2.gz PLXYCTXKBDOHAI-UHFFFAOYSA-N 0 0 340.430 5.361 10 0 EKAERN Cc1cccc(C)c1-c1ccc2nc(Nc3ccccc3)nnc2c1 ZINC000037858317 213171360 /nfs/dbraw/zinc/17/13/60/213171360.db2.gz OYVBTDSVIPSNGN-UHFFFAOYSA-N 0 0 326.403 5.052 10 0 EKAERN Cc1nc2c(cc(Oc3ccc(Cl)nn3)c3ccsc32)s1 ZINC000037977870 213179466 /nfs/dbraw/zinc/17/94/66/213179466.db2.gz WATVRRSDUBNTGR-UHFFFAOYSA-N 0 0 333.825 5.055 10 0 EKAERN COc1ccc(Cl)cc1CNc1ccc(SC(F)F)cc1 ZINC000037978517 202074896 /nfs/dbraw/zinc/07/48/96/202074896.db2.gz DSHFBXVJAPLULF-UHFFFAOYSA-N 0 0 329.799 5.275 10 0 EKAERN C[C@H](NCc1ccc(F)cc1Br)c1cccc(Cl)c1 ZINC000037980636 213181132 /nfs/dbraw/zinc/18/11/32/213181132.db2.gz YIDGBNYKMUTKFI-JTQLQIEISA-N 0 0 342.639 5.092 10 0 EKAERN C[C@@H](NCc1ccc(F)cc1Br)c1cccc(Cl)c1 ZINC000037980637 213180765 /nfs/dbraw/zinc/18/07/65/213180765.db2.gz YIDGBNYKMUTKFI-SNVBAGLBSA-N 0 0 342.639 5.092 10 0 EKAERN Cc1nc2c(cc(Oc3cncc(Cl)n3)c3ccsc32)s1 ZINC000037981668 213180909 /nfs/dbraw/zinc/18/09/09/213180909.db2.gz CDLYUCRHDJICDV-UHFFFAOYSA-N 0 0 333.825 5.055 10 0 EKAERN Cc1nc2c(cc(Oc3nsnc3Cl)c3ccsc32)s1 ZINC000037981669 213180905 /nfs/dbraw/zinc/18/09/05/213180905.db2.gz HSQZGCJEUBSKML-UHFFFAOYSA-N 0 0 339.854 5.117 10 0 EKAERN C[C@H](Nc1ccc(C(F)(F)F)cn1)c1cccc(Br)c1 ZINC000037984124 213182453 /nfs/dbraw/zinc/18/24/53/213182453.db2.gz BJDBQAPKJBOYJM-VIFPVBQESA-N 0 0 345.162 5.036 10 0 EKAERN C[C@@H](Nc1ccc(C(F)(F)F)cn1)c1cccc(Br)c1 ZINC000037984125 213182122 /nfs/dbraw/zinc/18/21/22/213182122.db2.gz BJDBQAPKJBOYJM-SECBINFHSA-N 0 0 345.162 5.036 10 0 EKAERN C[C@H](Nc1nccc2sccc21)c1cccc(Br)c1 ZINC000037998878 202080039 /nfs/dbraw/zinc/08/00/39/202080039.db2.gz KTCICAKLIHSYTH-JTQLQIEISA-N 0 0 333.254 5.232 10 0 EKAERN C[C@@H](Nc1nccc2sccc21)c1cccc(Br)c1 ZINC000037998879 213186220 /nfs/dbraw/zinc/18/62/20/213186220.db2.gz KTCICAKLIHSYTH-SNVBAGLBSA-N 0 0 333.254 5.232 10 0 EKAERN CSc1cccc(N[C@@H](C)c2ccc(Br)s2)c1 ZINC000038001623 213186259 /nfs/dbraw/zinc/18/62/59/213186259.db2.gz SNMJJUONYRYEGW-VIFPVBQESA-N 0 0 328.300 5.406 10 0 EKAERN CSc1cccc(N[C@H](C)c2ccc(Br)s2)c1 ZINC000038001624 202383762 /nfs/dbraw/zinc/38/37/62/202383762.db2.gz SNMJJUONYRYEGW-SECBINFHSA-N 0 0 328.300 5.406 10 0 EKAERN CCOc1ccc(N[C@@H](C)c2ccc(Br)s2)cc1 ZINC000038001631 202384265 /nfs/dbraw/zinc/38/42/65/202384265.db2.gz ZDLCNDYVZIDKFT-JTQLQIEISA-N 0 0 326.259 5.082 10 0 EKAERN CCOc1ccc(N[C@H](C)c2ccc(Br)s2)cc1 ZINC000038001632 213185904 /nfs/dbraw/zinc/18/59/04/213185904.db2.gz ZDLCNDYVZIDKFT-SNVBAGLBSA-N 0 0 326.259 5.082 10 0 EKAERN COc1ccc(N[C@@H](C)c2ccc(Br)s2)cc1Cl ZINC000038001643 213186194 /nfs/dbraw/zinc/18/61/94/213186194.db2.gz VWJXXYMMPRTQCQ-QMMMGPOBSA-N 0 0 346.677 5.346 10 0 EKAERN COc1ccc(N[C@H](C)c2ccc(Br)s2)cc1Cl ZINC000038001644 213185661 /nfs/dbraw/zinc/18/56/61/213185661.db2.gz VWJXXYMMPRTQCQ-MRVPVSSYSA-N 0 0 346.677 5.346 10 0 EKAERN CCOc1ccccc1N[C@@H](C)c1ccc(Br)s1 ZINC000038001647 213186224 /nfs/dbraw/zinc/18/62/24/213186224.db2.gz BUPSXMQAEAATEG-JTQLQIEISA-N 0 0 326.259 5.082 10 0 EKAERN CCOc1ccccc1N[C@H](C)c1ccc(Br)s1 ZINC000038001648 213185966 /nfs/dbraw/zinc/18/59/66/213185966.db2.gz BUPSXMQAEAATEG-SNVBAGLBSA-N 0 0 326.259 5.082 10 0 EKAERN CSc1ccc(N[C@@H](C)c2ccc(Br)s2)cc1 ZINC000038001665 213186168 /nfs/dbraw/zinc/18/61/68/213186168.db2.gz GOZMOQCDNNZUMI-VIFPVBQESA-N 0 0 328.300 5.406 10 0 EKAERN CSc1ccc(N[C@H](C)c2ccc(Br)s2)cc1 ZINC000038001666 213186442 /nfs/dbraw/zinc/18/64/42/213186442.db2.gz GOZMOQCDNNZUMI-SECBINFHSA-N 0 0 328.300 5.406 10 0 EKAERN C[C@H](Nc1ccc(F)c(F)c1F)c1ccc(Br)s1 ZINC000038001677 202383460 /nfs/dbraw/zinc/38/34/60/202383460.db2.gz JYCAWLBKIDBFQV-LURJTMIESA-N 0 0 336.176 5.101 10 0 EKAERN C[C@@H](Nc1ccc(F)c(F)c1F)c1ccc(Br)s1 ZINC000038001678 213186290 /nfs/dbraw/zinc/18/62/90/213186290.db2.gz JYCAWLBKIDBFQV-ZCFIWIBFSA-N 0 0 336.176 5.101 10 0 EKAERN COc1ccc(Cl)cc1N[C@@H](C)c1ccc(Br)s1 ZINC000038001711 213185975 /nfs/dbraw/zinc/18/59/75/213185975.db2.gz TYTPYRWFBGGIOT-QMMMGPOBSA-N 0 0 346.677 5.346 10 0 EKAERN COc1ccc(Cl)cc1N[C@H](C)c1ccc(Br)s1 ZINC000038001712 213185808 /nfs/dbraw/zinc/18/58/08/213185808.db2.gz TYTPYRWFBGGIOT-MRVPVSSYSA-N 0 0 346.677 5.346 10 0 EKAERN COc1ccc(C)cc1N[C@@H](C)c1ccc(Br)s1 ZINC000038001713 202383883 /nfs/dbraw/zinc/38/38/83/202383883.db2.gz ITNSEZIIQBNNEK-JTQLQIEISA-N 0 0 326.259 5.001 10 0 EKAERN COc1ccc(C)cc1N[C@H](C)c1ccc(Br)s1 ZINC000038001714 202383654 /nfs/dbraw/zinc/38/36/54/202383654.db2.gz ITNSEZIIQBNNEK-SNVBAGLBSA-N 0 0 326.259 5.001 10 0 EKAERN Oc1cccc(-c2nc(-c3ccc(Br)s3)cs2)c1 ZINC000038002021 213186207 /nfs/dbraw/zinc/18/62/07/213186207.db2.gz WJKGNPOMZATTLZ-UHFFFAOYSA-N 0 0 338.251 5.007 10 0 EKAERN CSc1ccccc1N[C@@H](C)c1ccc(Br)s1 ZINC000038002557 213186984 /nfs/dbraw/zinc/18/69/84/213186984.db2.gz FMXRFVUHYAFPCC-VIFPVBQESA-N 0 0 328.300 5.406 10 0 EKAERN CSc1ccccc1N[C@H](C)c1ccc(Br)s1 ZINC000038002558 213187543 /nfs/dbraw/zinc/18/75/43/213187543.db2.gz FMXRFVUHYAFPCC-SECBINFHSA-N 0 0 328.300 5.406 10 0 EKAERN C[C@H](Nc1ccc(-c2c[nH]cn2)cc1)c1ccc(Br)s1 ZINC000038002893 213187425 /nfs/dbraw/zinc/18/74/25/213187425.db2.gz CDLLFVMTPPUGNH-JTQLQIEISA-N 0 0 348.269 5.074 10 0 EKAERN C[C@@H](Nc1ccc(-c2c[nH]cn2)cc1)c1ccc(Br)s1 ZINC000038002894 202080908 /nfs/dbraw/zinc/08/09/08/202080908.db2.gz CDLLFVMTPPUGNH-SNVBAGLBSA-N 0 0 348.269 5.074 10 0 EKAERN C[C@H](Nc1ccc(-c2cc[nH]n2)cc1)c1ccc(Br)s1 ZINC000038003051 202081004 /nfs/dbraw/zinc/08/10/04/202081004.db2.gz FBTAEXPZCQUHIZ-JTQLQIEISA-N 0 0 348.269 5.074 10 0 EKAERN C[C@@H](Nc1ccc(-c2cc[nH]n2)cc1)c1ccc(Br)s1 ZINC000038003052 213187776 /nfs/dbraw/zinc/18/77/76/213187776.db2.gz FBTAEXPZCQUHIZ-SNVBAGLBSA-N 0 0 348.269 5.074 10 0 EKAERN Cc1ccc(N[C@@H](C)c2ccc(Br)s2)c(C)c1O ZINC000038003151 213186986 /nfs/dbraw/zinc/18/69/86/213186986.db2.gz GFSZAOGJUPZGSZ-JTQLQIEISA-N 0 0 326.259 5.006 10 0 EKAERN Cc1ccc(N[C@H](C)c2ccc(Br)s2)c(C)c1O ZINC000038003152 213187933 /nfs/dbraw/zinc/18/79/33/213187933.db2.gz GFSZAOGJUPZGSZ-SNVBAGLBSA-N 0 0 326.259 5.006 10 0 EKAERN C[C@H](Nc1cccc2c(O)cccc12)c1ccc(Br)s1 ZINC000038003163 213187018 /nfs/dbraw/zinc/18/70/18/213187018.db2.gz DRRCKOZGELOHLW-JTQLQIEISA-N 0 0 348.265 5.543 10 0 EKAERN C[C@@H](Nc1cccc2c(O)cccc12)c1ccc(Br)s1 ZINC000038003164 213186998 /nfs/dbraw/zinc/18/69/98/213186998.db2.gz DRRCKOZGELOHLW-SNVBAGLBSA-N 0 0 348.265 5.543 10 0 EKAERN C[C@H](Nc1cccc(-c2cc[nH]n2)c1)c1ccc(Br)s1 ZINC000038003189 213187869 /nfs/dbraw/zinc/18/78/69/213187869.db2.gz LWXJHBWEIIKQJU-JTQLQIEISA-N 0 0 348.269 5.074 10 0 EKAERN C[C@@H](Nc1cccc(-c2cc[nH]n2)c1)c1ccc(Br)s1 ZINC000038003190 213186767 /nfs/dbraw/zinc/18/67/67/213186767.db2.gz LWXJHBWEIIKQJU-SNVBAGLBSA-N 0 0 348.269 5.074 10 0 EKAERN C[C@H](Nc1ccc(-c2cnco2)cc1)c1ccc(Br)s1 ZINC000038003429 213187198 /nfs/dbraw/zinc/18/71/98/213187198.db2.gz JAHKXZLCPFNFGS-JTQLQIEISA-N 0 0 349.253 5.339 10 0 EKAERN C[C@@H](Nc1ccc(-c2cnco2)cc1)c1ccc(Br)s1 ZINC000038003430 202081503 /nfs/dbraw/zinc/08/15/03/202081503.db2.gz JAHKXZLCPFNFGS-SNVBAGLBSA-N 0 0 349.253 5.339 10 0 EKAERN C[C@H](Nc1cccc(-c2cnco2)c1)c1ccc(Br)s1 ZINC000038003453 525665581 /nfs/dbraw/zinc/66/55/81/525665581.db2.gz WUCCMNFZXVKZEZ-JTQLQIEISA-N 0 0 349.253 5.339 10 0 EKAERN C[C@@H](Nc1cccc(-c2cnco2)c1)c1ccc(Br)s1 ZINC000038003454 525716037 /nfs/dbraw/zinc/71/60/37/525716037.db2.gz WUCCMNFZXVKZEZ-SNVBAGLBSA-N 0 0 349.253 5.339 10 0 EKAERN CCOc1cccc(N[C@H](C)c2ccc(Br)s2)c1 ZINC000038003460 202385171 /nfs/dbraw/zinc/38/51/71/202385171.db2.gz HUTZKUVGJNETMD-SNVBAGLBSA-N 0 0 326.259 5.082 10 0 EKAERN COc1cc(C)ccc1N[C@@H](C)c1ccc(Br)s1 ZINC000038003471 213187053 /nfs/dbraw/zinc/18/70/53/213187053.db2.gz DTUNTUFYFHELKI-JTQLQIEISA-N 0 0 326.259 5.001 10 0 EKAERN COc1cc(C)ccc1N[C@H](C)c1ccc(Br)s1 ZINC000038003472 202385707 /nfs/dbraw/zinc/38/57/07/202385707.db2.gz DTUNTUFYFHELKI-SNVBAGLBSA-N 0 0 326.259 5.001 10 0 EKAERN C[C@H](NCc1cc(F)ccc1Br)c1ccccc1Cl ZINC000038038903 202092860 /nfs/dbraw/zinc/09/28/60/202092860.db2.gz QSAHTACFNQQDPB-JTQLQIEISA-N 0 0 342.639 5.092 10 0 EKAERN C[C@@H](NCc1cc(F)ccc1Br)c1ccccc1Cl ZINC000038038904 213195442 /nfs/dbraw/zinc/19/54/42/213195442.db2.gz QSAHTACFNQQDPB-SNVBAGLBSA-N 0 0 342.639 5.092 10 0 EKAERN C[C@H](NCc1cc(F)ccc1Br)c1ccc(Cl)cc1 ZINC000038038924 202092822 /nfs/dbraw/zinc/09/28/22/202092822.db2.gz AVCFMRPGZSBAIG-JTQLQIEISA-N 0 0 342.639 5.092 10 0 EKAERN C[C@@H](NCc1cc(F)ccc1Br)c1ccc(Cl)cc1 ZINC000038038925 213195127 /nfs/dbraw/zinc/19/51/27/213195127.db2.gz AVCFMRPGZSBAIG-SNVBAGLBSA-N 0 0 342.639 5.092 10 0 EKAERN C[C@H](NCc1cc(F)ccc1Br)c1cccc(Cl)c1 ZINC000038038945 213195927 /nfs/dbraw/zinc/19/59/27/213195927.db2.gz XFBFPCXOJZFNJD-JTQLQIEISA-N 0 0 342.639 5.092 10 0 EKAERN C[C@@H](NCc1cc(F)ccc1Br)c1cccc(Cl)c1 ZINC000038038946 213196070 /nfs/dbraw/zinc/19/60/70/213196070.db2.gz XFBFPCXOJZFNJD-SNVBAGLBSA-N 0 0 342.639 5.092 10 0 EKAERN C[C@H](NCc1cc(F)ccc1Br)c1cc2ccccc2o1 ZINC000038039019 213195537 /nfs/dbraw/zinc/19/55/37/213195537.db2.gz VUEGFCMAZKGHNC-NSHDSACASA-N 0 0 348.215 5.185 10 0 EKAERN C[C@@H](NCc1cc(F)ccc1Br)c1cc2ccccc2o1 ZINC000038039020 213195134 /nfs/dbraw/zinc/19/51/34/213195134.db2.gz VUEGFCMAZKGHNC-LLVKDONJSA-N 0 0 348.215 5.185 10 0 EKAERN CCCCC/C=C/C/C=C\C/C=C\C/C=C\CCCC(=O)NCCF ZINC000038146516 202398393 /nfs/dbraw/zinc/39/83/93/202398393.db2.gz DOGHEWWVBBVYEY-QGDKPUJISA-N 0 0 349.534 6.218 10 0 EKAERN CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCCF ZINC000038146517 202399206 /nfs/dbraw/zinc/39/92/06/202399206.db2.gz DOGHEWWVBBVYEY-MLFLMRJSSA-N 0 0 349.534 6.218 10 0 EKAERN CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)NCCF ZINC000038146518 213204151 /nfs/dbraw/zinc/20/41/51/213204151.db2.gz DOGHEWWVBBVYEY-BJCBFJDFSA-N 0 0 349.534 6.218 10 0 EKAERN CCCCC/C=C/C/C=C\C/C=C\C/C=C\CCCC(=O)NCC ZINC000038146644 213204147 /nfs/dbraw/zinc/20/41/47/213204147.db2.gz DCUXLBLUWUQKFU-MGCRXFEJSA-N 0 0 331.544 6.268 10 0 EKAERN CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCC ZINC000038146645 213204158 /nfs/dbraw/zinc/20/41/58/213204158.db2.gz DCUXLBLUWUQKFU-AIBIWWTJSA-N 0 0 331.544 6.268 10 0 EKAERN CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)NCC ZINC000038146647 213203399 /nfs/dbraw/zinc/20/33/99/213203399.db2.gz DCUXLBLUWUQKFU-WIEQBXDCSA-N 0 0 331.544 6.268 10 0 EKAERN Brc1ccc2nc(-c3ccc4ccccc4c3)sc2c1 ZINC000038189822 201082974 /nfs/dbraw/zinc/08/29/74/201082974.db2.gz UVPWJFYPQRUDPX-UHFFFAOYSA-N 0 0 340.245 5.879 10 0 EKAERN Clc1cccc(Nc2cncc(-c3cccc4cccnc43)c2)c1 ZINC000038214248 213206253 /nfs/dbraw/zinc/20/62/53/213206253.db2.gz ZGWZVLXVNCWPHS-UHFFFAOYSA-N 0 0 331.806 5.694 10 0 EKAERN Fc1ccc(-c2cn(-c3ccc(F)cc3)c3ncnc(Cl)c23)cc1 ZINC000038214438 213206695 /nfs/dbraw/zinc/20/66/95/213206695.db2.gz RFERNYWFNHEXSQ-UHFFFAOYSA-N 0 0 341.748 5.019 10 0 EKAERN Clc1cccc(-c2cc(-c3ccc(Br)cc3)no2)c1 ZINC000038230212 213205977 /nfs/dbraw/zinc/20/59/77/213205977.db2.gz BHQAAUBUBPHCDG-UHFFFAOYSA-N 0 0 334.600 5.425 10 0 EKAERN Cc1ccc(-c2cc(-c3cc4ccc(C)cc4nc3Cl)on2)cc1 ZINC000038230215 213206093 /nfs/dbraw/zinc/20/60/93/213206093.db2.gz IGKYTSAERWRTSS-UHFFFAOYSA-N 0 0 334.806 5.827 10 0 EKAERN Oc1ccc(-c2cncc(NCc3ccc4ccccc4c3)c2)cc1 ZINC000038237705 213206343 /nfs/dbraw/zinc/20/63/43/213206343.db2.gz IHPGDNDKTUQKJU-UHFFFAOYSA-N 0 0 326.399 5.220 10 0 EKAERN C=COP(=O)(Oc1c(C)cccc1C)Oc1c(C)cccc1C ZINC000038248394 213206355 /nfs/dbraw/zinc/20/63/55/213206355.db2.gz RVVVBDDRVOFABD-UHFFFAOYSA-N 0 0 332.336 5.646 10 0 EKAERN FC(F)(F)c1ccc(-c2c3ccccc3[nH]c2-c2ccccc2)cc1 ZINC000038260319 213206556 /nfs/dbraw/zinc/20/65/56/213206556.db2.gz LJNSBUJGTCKXQL-UHFFFAOYSA-N 0 0 337.344 6.521 10 0 EKAERN Clc1cccc([C@@H]2CC(c3ccccc3)=Nc3ccccc3N2)c1 ZINC000038266693 213206724 /nfs/dbraw/zinc/20/67/24/213206724.db2.gz FKQIINVSKMGGJN-NRFANRHFSA-N 0 0 332.834 6.018 10 0 EKAERN Clc1cccc([C@H]2CC(c3ccccc3)=Nc3ccccc3N2)c1 ZINC000038266694 213206377 /nfs/dbraw/zinc/20/63/77/213206377.db2.gz FKQIINVSKMGGJN-OAQYLSRUSA-N 0 0 332.834 6.018 10 0 EKAERN Cc1sc(Cl)cc1C1=C(c2cc(Cl)sc2C)CCC1 ZINC000038275257 213206801 /nfs/dbraw/zinc/20/68/01/213206801.db2.gz DGZQNPCSQDROIH-UHFFFAOYSA-N 0 0 329.317 6.828 10 0 EKAERN Cc1ccc(-c2c3ccccc3nn2Cc2cccc(Cl)c2)cc1 ZINC000038278389 213206876 /nfs/dbraw/zinc/20/68/76/213206876.db2.gz DGABPNYSXAYULX-UHFFFAOYSA-N 0 0 332.834 5.713 10 0 EKAERN CCCn1cc(C(=O)c2c(OC)ccc3ccccc32)c2ccccc21 ZINC000038306888 201720255 /nfs/dbraw/zinc/72/02/55/201720255.db2.gz RTGIZGGGWCYGAL-UHFFFAOYSA-N 0 0 343.426 5.444 10 0 EKAERN Clc1ccc(-c2nc(-c3ccccn3)cn2Cc2ccccc2)cc1 ZINC000038306970 213207315 /nfs/dbraw/zinc/20/73/15/213207315.db2.gz KCVYRJJGTRHAQJ-UHFFFAOYSA-N 0 0 345.833 5.314 10 0 EKAERN Fc1cccc(-c2ccnc3[nH]cc(Sc4cccs4)c32)c1 ZINC000038329821 213208144 /nfs/dbraw/zinc/20/81/44/213208144.db2.gz VAKGKQXSLUDPAZ-UHFFFAOYSA-N 0 0 326.421 5.582 10 0 EKAERN O=C(Nc1nc(-c2cc(Cl)cs2)cs1)Oc1ccccc1 ZINC000038330114 213207646 /nfs/dbraw/zinc/20/76/46/213207646.db2.gz SVHWLKXOTWRVRY-UHFFFAOYSA-N 0 0 336.825 5.136 10 0 EKAERN C[C@@]1(c2cccc3ccccc32)CC(c2ccc3ccccc3c2)=NO1 ZINC000038342845 213207117 /nfs/dbraw/zinc/20/71/17/213207117.db2.gz DAGJCODMVINZNS-DEOSSOPVSA-N 0 0 337.422 6.033 10 0 EKAERN Cc1ccc(-c2nn(Cc3cccc(Cl)c3)c3ccccc32)cc1 ZINC000038441875 213209115 /nfs/dbraw/zinc/20/91/15/213209115.db2.gz HBTROCATWAYBEH-UHFFFAOYSA-N 0 0 332.834 5.713 10 0 EKAERN Fc1cccc(F)c1C1=N[C@H](c2ccc(Br)cc2)CC1 ZINC000038442047 202141759 /nfs/dbraw/zinc/14/17/59/202141759.db2.gz YRUSDPXROXBLGQ-AWEZNQCLSA-N 0 0 336.179 5.052 10 0 EKAERN Cc1ccc(-c2nc(C(F)(F)F)nc(Cl)c2-c2ccccc2)cc1 ZINC000038494190 213212004 /nfs/dbraw/zinc/21/20/04/213212004.db2.gz KCMDJJQAYMNWRS-UHFFFAOYSA-N 0 0 348.755 5.791 10 0 EKAERN O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)Nc1ccccc1 ZINC000038550511 213215055 /nfs/dbraw/zinc/21/50/55/213215055.db2.gz GOOXRAKVPTYDPP-UHFFFAOYSA-N 0 0 349.459 5.333 10 0 EKAERN CC(=O)OC/C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000038653900 213219038 /nfs/dbraw/zinc/21/90/38/213219038.db2.gz JIGCTXHIECXYRJ-ONSHYLSASA-N 0 0 338.576 6.935 10 0 EKAERN CC(=O)OC/C=C(/C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000038653904 213219648 /nfs/dbraw/zinc/21/96/48/213219648.db2.gz JIGCTXHIECXYRJ-ALBBVSOYSA-N 0 0 338.576 6.935 10 0 EKAERN FC(F)(F)c1nc(Cl)c(-c2ccccc2)c(-c2ccccc2)n1 ZINC000038784105 213225976 /nfs/dbraw/zinc/22/59/76/213225976.db2.gz CJMBUOHMRKVLLZ-UHFFFAOYSA-N 0 0 334.728 5.483 10 0 EKAERN O[C@@H](c1ccc(-c2ccccc2)cc1)c1ccccc1Br ZINC000038784574 213225933 /nfs/dbraw/zinc/22/59/33/213225933.db2.gz FOUQHYSCENXYCT-IBGZPJMESA-N 0 0 339.232 5.198 10 0 EKAERN FC(F)(F)c1ccc(-c2nc(Cl)cc(-c3ccccc3)n2)cc1 ZINC000038853878 201084876 /nfs/dbraw/zinc/08/48/76/201084876.db2.gz SOVKKXUWPOTACW-UHFFFAOYSA-N 0 0 334.728 5.483 10 0 EKAERN CC(=O)c1c(C)nc2ccc(Cl)cc2c1-c1ccccc1Cl ZINC000038856438 202287943 /nfs/dbraw/zinc/28/79/43/202287943.db2.gz ZZEOLDYINYSEFV-UHFFFAOYSA-N 0 0 330.214 5.720 10 0 EKAERN COc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(O)cc1 ZINC000039247829 213233419 /nfs/dbraw/zinc/23/34/19/213233419.db2.gz KUALGQALXWQQPQ-GGAORHGYSA-N 0 0 330.427 5.263 10 0 in-vitro EKAERN Cc1oc(-c2ccc(C(C)C)cc2)nc1COc1ccccc1C=O ZINC000039320287 213234262 /nfs/dbraw/zinc/23/42/62/213234262.db2.gz SWUVSZLCOXHZNP-UHFFFAOYSA-N 0 0 335.403 5.165 10 0 EKAERN COC(=O)c1ccccc1-c1[nH]c2ccccc2c1-c1ccccc1 ZINC000039630432 213240454 /nfs/dbraw/zinc/24/04/54/213240454.db2.gz GVVLECRNSVCFGJ-UHFFFAOYSA-N 0 0 327.383 5.289 10 0 EKAERN Cc1cccc(Cl)c1NC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000039760117 213242979 /nfs/dbraw/zinc/24/29/79/213242979.db2.gz YJDLUORSNKMWQZ-UHFFFAOYSA-N 0 0 349.817 5.132 10 0 EKAERN O=C(/C=C/c1cccs1)Nc1ccc(C(F)(F)F)c(Cl)c1 ZINC000039884336 213243510 /nfs/dbraw/zinc/24/35/10/213243510.db2.gz IVGKRIOGLPBOPD-GQCTYLIASA-N 0 0 331.746 5.072 10 0 EKAERN Clc1ccc(Cc2nc3ccccc3n2CCc2ccccc2)cc1 ZINC000039907501 213244079 /nfs/dbraw/zinc/24/40/79/213244079.db2.gz UZEHZFLKGLLKQJ-UHFFFAOYSA-N 0 0 346.861 5.523 10 0 EKAERN Clc1cccc2c(Nc3ccc(Br)cc3)ccnc12 ZINC000039963768 213247467 /nfs/dbraw/zinc/24/74/67/213247467.db2.gz WDXFQRBPCRCTDU-UHFFFAOYSA-N 0 0 333.616 5.394 10 0 EKAERN Clc1cccc2c(Nc3ccccc3Br)ccnc12 ZINC000039963802 213246783 /nfs/dbraw/zinc/24/67/83/213246783.db2.gz UUIHIINDVKGCAR-UHFFFAOYSA-N 0 0 333.616 5.394 10 0 EKAERN CC(=O)Nc1ccc(Cl)c(Nc2ccnc3c(Cl)cccc23)c1 ZINC000039963811 213247404 /nfs/dbraw/zinc/24/74/04/213247404.db2.gz YIHYVJQSNQXVOE-UHFFFAOYSA-N 0 0 346.217 5.244 10 0 EKAERN CC(C)OC(=O)c1ccc(Nc2ccnc3c(Cl)cccc23)cc1 ZINC000039963815 213246516 /nfs/dbraw/zinc/24/65/16/213246516.db2.gz CGFGSKGZQQLWSF-UHFFFAOYSA-N 0 0 340.810 5.197 10 0 EKAERN CC(=O)c1ccc(Nc2ccnc3c2cccc3C(F)(F)F)cc1 ZINC000039963822 213247105 /nfs/dbraw/zinc/24/71/05/213247105.db2.gz REOXEORFQNVNNQ-UHFFFAOYSA-N 0 0 330.309 5.200 10 0 EKAERN FC(F)(F)c1cccc2c(Nc3cccc4ccccc43)ccnc21 ZINC000039963828 213247553 /nfs/dbraw/zinc/24/75/53/213247553.db2.gz OJCZRVFUZUMJCG-UHFFFAOYSA-N 0 0 338.332 6.150 10 0 EKAERN COc1ccc(Nc2ccnc3c2cccc3C(F)(F)F)cc1OC ZINC000039963832 213246669 /nfs/dbraw/zinc/24/66/69/213246669.db2.gz ZQCAIUYIZNIWQM-UHFFFAOYSA-N 0 0 348.324 5.014 10 0 EKAERN Cc1cc(Cl)ccc1Nc1ccnc2c1cccc2C(F)(F)F ZINC000039963835 213247513 /nfs/dbraw/zinc/24/75/13/213247513.db2.gz NQYYAMUFVSDKQG-UHFFFAOYSA-N 0 0 336.744 5.959 10 0 EKAERN COc1ccc(OC)c(Nc2ccnc3c2cccc3C(F)(F)F)c1 ZINC000039963836 213247486 /nfs/dbraw/zinc/24/74/86/213247486.db2.gz WERIUTAVRQAMAS-UHFFFAOYSA-N 0 0 348.324 5.014 10 0 EKAERN COc1ccc(Nc2ccnc3c2cccc3C(F)(F)F)c(OC)c1 ZINC000039963842 213246590 /nfs/dbraw/zinc/24/65/90/213246590.db2.gz ZHZCZLKEAVITDF-UHFFFAOYSA-N 0 0 348.324 5.014 10 0 EKAERN FC(F)(F)c1cccc2c(N3CCCc4ccccc43)ccnc21 ZINC000039963848 132398318 /nfs/dbraw/zinc/39/83/18/132398318.db2.gz JFLLAXYVDDXMJY-UHFFFAOYSA-N 0 0 328.337 5.338 10 0 EKAERN CCc1ccc2oc(C(=O)Nc3ccc(Cl)cc3Cl)c(C)c2c1 ZINC000040037317 213252964 /nfs/dbraw/zinc/25/29/64/213252964.db2.gz AJFZWQQXZRBMAQ-UHFFFAOYSA-N 0 0 348.229 5.863 10 0 EKAERN CCc1ccc2oc(C(=O)Nc3ccc(Cl)c(Cl)c3)c(C)c2c1 ZINC000040037319 213252492 /nfs/dbraw/zinc/25/24/92/213252492.db2.gz QOFJBYPRYVPTLF-UHFFFAOYSA-N 0 0 348.229 5.863 10 0 EKAERN CCc1ccc2oc(C(=O)Nc3cccc4ccccc43)c(C)c2c1 ZINC000040037320 213252528 /nfs/dbraw/zinc/25/25/28/213252528.db2.gz IKPXAYLAAFWIBB-UHFFFAOYSA-N 0 0 329.399 5.709 10 0 EKAERN CCc1ccc2oc(C(=O)Nc3ccc(OC)c(Cl)c3)c(C)c2c1 ZINC000040037328 213252695 /nfs/dbraw/zinc/25/26/95/213252695.db2.gz HBTZZCDTGNLVDB-UHFFFAOYSA-N 0 0 343.810 5.218 10 0 EKAERN CCc1ccc2oc(C(=O)Nc3ccc(C)c(Cl)c3)c(C)c2c1 ZINC000040037331 213252309 /nfs/dbraw/zinc/25/23/09/213252309.db2.gz GKJFBINVCUACLP-UHFFFAOYSA-N 0 0 327.811 5.518 10 0 EKAERN CCc1ccc2oc(C(=O)Nc3cccc(Cl)c3C)c(C)c2c1 ZINC000040037332 213252715 /nfs/dbraw/zinc/25/27/15/213252715.db2.gz DPQLPFVAHSVIPR-UHFFFAOYSA-N 0 0 327.811 5.518 10 0 EKAERN CCc1ccc2oc(C(=O)Nc3cc(Cl)ccc3OC)c(C)c2c1 ZINC000040037333 213252739 /nfs/dbraw/zinc/25/27/39/213252739.db2.gz JJEZKZFMOAAHFV-UHFFFAOYSA-N 0 0 343.810 5.218 10 0 EKAERN CCCCC1CCC(C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000040037780 213252300 /nfs/dbraw/zinc/25/23/00/213252300.db2.gz SHSOJPXFWVAYBY-UHFFFAOYSA-N 0 0 328.283 5.929 10 0 EKAERN CCCCC1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000040037782 213253239 /nfs/dbraw/zinc/25/32/39/213253239.db2.gz PVWWKTKGXVQSSQ-UHFFFAOYSA-N 0 0 328.283 5.929 10 0 EKAERN CCCCC1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000040037783 213252585 /nfs/dbraw/zinc/25/25/85/213252585.db2.gz OGKYWPAUJHZFRP-UHFFFAOYSA-N 0 0 327.390 5.641 10 0 EKAERN Cc1ccc(-c2cn3cc(-c4ccccc4)n4c3c2CCCC4)cc1C ZINC000040163773 213278414 /nfs/dbraw/zinc/27/84/14/213278414.db2.gz YMXHZQXCFCHVOF-UHFFFAOYSA-N 0 0 340.470 6.028 10 0 EKAERN CC(C)c1ccc(C(=O)Oc2ccc(Cl)c3cccnc23)cc1 ZINC000040165881 213278184 /nfs/dbraw/zinc/27/81/84/213278184.db2.gz BKDDFRWIMBYEGF-UHFFFAOYSA-N 0 0 325.795 5.231 10 0 EKAERN O=C(Oc1ccc(Cl)c2cccnc12)c1cccc2ccccc21 ZINC000040165888 213277895 /nfs/dbraw/zinc/27/78/95/213277895.db2.gz GSPYLHRROPEIFI-UHFFFAOYSA-N 0 0 333.774 5.261 10 0 EKAERN O=C(CSc1ccc2ccccc2n1)c1ccc(Cl)cc1Cl ZINC000040165956 213278159 /nfs/dbraw/zinc/27/81/59/213278159.db2.gz GHRNIJTWDIEQLJ-UHFFFAOYSA-N 0 0 348.254 5.517 10 0 EKAERN Brc1ccc(CSc2ccc3ccccc3n2)cc1 ZINC000040165979 213278725 /nfs/dbraw/zinc/27/87/25/213278725.db2.gz UIQMJSPDVGJQJV-UHFFFAOYSA-N 0 0 330.250 5.290 10 0 EKAERN Cc1cc(SCc2c(Cl)cccc2Cl)nc2ccccc12 ZINC000040166020 213278654 /nfs/dbraw/zinc/27/86/54/213278654.db2.gz MSWIONGKOZGIPL-UHFFFAOYSA-N 0 0 334.271 6.142 10 0 EKAERN Cc1cc(SCc2ccc(Cl)cc2Cl)nc2ccccc12 ZINC000040166036 213278278 /nfs/dbraw/zinc/27/82/78/213278278.db2.gz RIAAHCBWENYKBJ-UHFFFAOYSA-N 0 0 334.271 6.142 10 0 EKAERN Cc1cc(SCc2ccc(Br)cc2)nc2ccccc12 ZINC000040166037 202186611 /nfs/dbraw/zinc/18/66/11/202186611.db2.gz TUHWQSVSISMFIP-UHFFFAOYSA-N 0 0 344.277 5.598 10 0 EKAERN Cc1cccc2c(C)cc(SCc3c(Cl)cccc3Cl)nc12 ZINC000040166067 213278592 /nfs/dbraw/zinc/27/85/92/213278592.db2.gz QPCSEWMYFXZTBQ-UHFFFAOYSA-N 0 0 348.298 6.451 10 0 EKAERN Cc1cccc2c(C)cc(SCc3cccc4ccccc43)nc12 ZINC000040166069 213278132 /nfs/dbraw/zinc/27/81/32/213278132.db2.gz PBXYOQFRPUSRCA-UHFFFAOYSA-N 0 0 329.468 6.297 10 0 EKAERN Cc1cccc2c(C)cc(SCc3ccc(Cl)c(Cl)c3)nc12 ZINC000040166073 202428700 /nfs/dbraw/zinc/42/87/00/202428700.db2.gz ZOYUNSNHJSZTMT-UHFFFAOYSA-N 0 0 348.298 6.451 10 0 EKAERN Cc1cccc2c(C)cc(SCc3ccc(Cl)cc3Cl)nc12 ZINC000040167077 213278364 /nfs/dbraw/zinc/27/83/64/213278364.db2.gz DIZVZRNPVYTUJD-UHFFFAOYSA-N 0 0 348.298 6.451 10 0 EKAERN COc1cccc2c(C)cc(SCc3cccc4ccccc43)nc12 ZINC000040167363 213278040 /nfs/dbraw/zinc/27/80/40/213278040.db2.gz QDZYXNPBZCXJEF-UHFFFAOYSA-N 0 0 345.467 5.997 10 0 EKAERN COc1cccc2c(C)cc(SCc3c(F)cccc3Cl)nc12 ZINC000040167365 213278491 /nfs/dbraw/zinc/27/84/91/213278491.db2.gz YWAMIHLMHOSYAG-UHFFFAOYSA-N 0 0 347.842 5.637 10 0 EKAERN COc1cccc2c(C)cc(SCc3cccc(Cl)c3)nc12 ZINC000040167375 202428403 /nfs/dbraw/zinc/42/84/03/202428403.db2.gz MIRQJVZTPPLMSU-UHFFFAOYSA-N 0 0 329.852 5.498 10 0 EKAERN COc1cccc2c(C)cc(SCc3ccccc3Cl)nc12 ZINC000040167383 213278543 /nfs/dbraw/zinc/27/85/43/213278543.db2.gz OYUAKRSXRBSEQA-UHFFFAOYSA-N 0 0 329.852 5.498 10 0 EKAERN Brc1ccc(OCc2nc(-c3ccccc3)cs2)cc1 ZINC000040176412 202428924 /nfs/dbraw/zinc/42/89/24/202428924.db2.gz DNQQYVWGSRIYJH-UHFFFAOYSA-N 0 0 346.249 5.152 10 0 EKAERN Cc1cc(C)c2nc(C)cc(NC(=O)c3ccc(OC(C)C)cc3)c2c1 ZINC000040177046 213278983 /nfs/dbraw/zinc/27/89/83/213278983.db2.gz IVLUETCSAGROFN-UHFFFAOYSA-N 0 0 348.446 5.200 10 0 EKAERN Cc1cc(C)c2nc(C)cc(NC(=O)c3ccc(C(C)(C)C)cc3)c2c1 ZINC000040177061 202428134 /nfs/dbraw/zinc/42/81/34/202428134.db2.gz XXTQPZFQQQRELH-UHFFFAOYSA-N 0 0 346.474 5.710 10 0 EKAERN CCc1ccc(/C=C/C(=O)Nc2cc(C)nc3c(C)cc(C)cc23)cc1 ZINC000040177084 213279716 /nfs/dbraw/zinc/27/97/16/213279716.db2.gz SMLGFMREYPEMNB-ZHACJKMWSA-N 0 0 344.458 5.374 10 0 EKAERN Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000040178597 213279539 /nfs/dbraw/zinc/27/95/39/213279539.db2.gz GFUYHTWJUHXGHC-UHFFFAOYSA-N 0 0 346.213 5.814 10 0 EKAERN Cc1oc(-c2ccccc2)cc1C(=O)Nc1cc(Cl)ccc1Cl ZINC000040178598 213279431 /nfs/dbraw/zinc/27/94/31/213279431.db2.gz XAQXWXIJWDMXBN-UHFFFAOYSA-N 0 0 346.213 5.814 10 0 EKAERN Cc1oc(-c2ccccc2)cc1C(=O)Nc1cccc(Cl)c1C ZINC000040178657 213279809 /nfs/dbraw/zinc/27/98/09/213279809.db2.gz ORNRXEJDKCXWAB-UHFFFAOYSA-N 0 0 325.795 5.469 10 0 EKAERN Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccccc1C(F)(F)F ZINC000040178662 213279260 /nfs/dbraw/zinc/27/92/60/213279260.db2.gz BRYNWJOURLAFRY-UHFFFAOYSA-N 0 0 345.320 5.526 10 0 EKAERN Cc1oc(-c2ccc(C)cc2)cc1C(=O)Nc1ccc(Cl)cc1 ZINC000040178700 213279782 /nfs/dbraw/zinc/27/97/82/213279782.db2.gz DJMWOGKVFMISSR-UHFFFAOYSA-N 0 0 325.795 5.469 10 0 EKAERN Cc1oc(-c2ccc(C)cc2)cc1C(=O)Nc1cccc(Cl)c1 ZINC000040178701 213279550 /nfs/dbraw/zinc/27/95/50/213279550.db2.gz WOFMEVDMEGEROF-UHFFFAOYSA-N 0 0 325.795 5.469 10 0 EKAERN Cc1oc(-c2ccc(C)cc2)cc1C(=O)Nc1ccccc1Cl ZINC000040178702 213279511 /nfs/dbraw/zinc/27/95/11/213279511.db2.gz VGPSMNZYIBDBCW-UHFFFAOYSA-N 0 0 325.795 5.469 10 0 EKAERN Cc1oc(-c2ccc(C)cc2)cc1C(=O)Nc1ccc(Cl)c(C)c1 ZINC000040178711 213279933 /nfs/dbraw/zinc/27/99/33/213279933.db2.gz LIWSOEJOLJFXQX-UHFFFAOYSA-N 0 0 339.822 5.778 10 0 EKAERN Cc1oc(-c2ccc(C)cc2)cc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000040178714 213278939 /nfs/dbraw/zinc/27/89/39/213278939.db2.gz DKGIHDAGMYVORE-UHFFFAOYSA-N 0 0 333.431 5.939 10 0 EKAERN CCOc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)oc2C)cc1 ZINC000040178715 213279574 /nfs/dbraw/zinc/27/95/74/213279574.db2.gz KOWQBBOHUSDWRZ-UHFFFAOYSA-N 0 0 335.403 5.214 10 0 EKAERN CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(C)cc3)oc2C)c1 ZINC000040178717 213279596 /nfs/dbraw/zinc/27/95/96/213279596.db2.gz OQFDUUQEFUTLLZ-UHFFFAOYSA-N 0 0 333.387 5.018 10 0 EKAERN Cc1oc(-c2ccc(C)cc2)cc1C(=O)NCc1ccc(Cl)cc1 ZINC000040178762 202428944 /nfs/dbraw/zinc/42/89/44/202428944.db2.gz YJENXZGOQKSLTK-UHFFFAOYSA-N 0 0 339.822 5.147 10 0 EKAERN CCc1cccc(C)c1NC(=O)c1cc(-c2ccc(C)cc2)oc1C ZINC000040178771 213279045 /nfs/dbraw/zinc/27/90/45/213279045.db2.gz AJRFVEXXKNUGCM-UHFFFAOYSA-N 0 0 333.431 5.687 10 0 EKAERN Cc1oc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc(Cl)cc1 ZINC000040178810 213279148 /nfs/dbraw/zinc/27/91/48/213279148.db2.gz JLXUPSVSMIZKGC-UHFFFAOYSA-N 0 0 329.758 5.300 10 0 EKAERN Cc1oc(-c2ccc(F)cc2)cc1C(=O)Nc1ccccc1Cl ZINC000040178812 213279086 /nfs/dbraw/zinc/27/90/86/213279086.db2.gz MNEPMJKTPLQFRY-UHFFFAOYSA-N 0 0 329.758 5.300 10 0 EKAERN Cc1oc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc(Cl)c(C)c1 ZINC000040178821 213279196 /nfs/dbraw/zinc/27/91/96/213279196.db2.gz KDNWGFGHEQPGSJ-UHFFFAOYSA-N 0 0 343.785 5.608 10 0 EKAERN Cc1oc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000040178824 213279786 /nfs/dbraw/zinc/27/97/86/213279786.db2.gz JOJFMYRCZFPHTE-UHFFFAOYSA-N 0 0 337.394 5.770 10 0 EKAERN CCOc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)oc2C)cc1 ZINC000040178825 213279638 /nfs/dbraw/zinc/27/96/38/213279638.db2.gz YOWVETKOYXIYFN-UHFFFAOYSA-N 0 0 339.366 5.045 10 0 EKAERN CCOc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)oc1C ZINC000040178826 213279495 /nfs/dbraw/zinc/27/94/95/213279495.db2.gz AARMSQHLCLORNJ-UHFFFAOYSA-N 0 0 339.366 5.045 10 0 EKAERN CCc1cccc(C)c1NC(=O)c1cc(-c2ccc(F)cc2)oc1C ZINC000040178871 213279778 /nfs/dbraw/zinc/27/97/78/213279778.db2.gz JSZRADBVADGIFC-UHFFFAOYSA-N 0 0 337.394 5.517 10 0 EKAERN COc1ccc(NC(=O)c2ccc(Oc3cccc(C)c3)cc2)cc1 ZINC000040178903 213279773 /nfs/dbraw/zinc/27/97/73/213279773.db2.gz SZUDZWMMRUKQHV-UHFFFAOYSA-N 0 0 333.387 5.048 10 0 EKAERN COc1cccc(NC(=O)c2ccc(Oc3cccc(C)c3)cc2)c1 ZINC000040178904 213278996 /nfs/dbraw/zinc/27/89/96/213278996.db2.gz BIPQNTCBWBVFHI-UHFFFAOYSA-N 0 0 333.387 5.048 10 0 EKAERN Cc1cccc(Oc2ccc(C(=O)Nc3cc(C)ccc3C)cc2)c1 ZINC000040178907 213279515 /nfs/dbraw/zinc/27/95/15/213279515.db2.gz KYCOFKRKNSRVSA-UHFFFAOYSA-N 0 0 331.415 5.656 10 0 EKAERN Cc1cccc(Oc2ccc(C(=O)Nc3ccc(C)cc3C)cc2)c1 ZINC000040178908 213280002 /nfs/dbraw/zinc/28/00/02/213280002.db2.gz YXZUXDBABAIINU-UHFFFAOYSA-N 0 0 331.415 5.656 10 0 EKAERN Cc1cccc(Oc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)c1 ZINC000040178912 202428350 /nfs/dbraw/zinc/42/83/50/202428350.db2.gz HHGFGKMMRBDLGK-UHFFFAOYSA-N 0 0 337.806 5.693 10 0 EKAERN Cc1cccc(Oc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)c1 ZINC000040178913 213279855 /nfs/dbraw/zinc/27/98/55/213279855.db2.gz NTYWEWINNIRMNE-UHFFFAOYSA-N 0 0 337.806 5.693 10 0 EKAERN Cc1cccc(Oc2ccc(C(=O)Nc3ccccc3Cl)cc2)c1 ZINC000040178914 213279254 /nfs/dbraw/zinc/27/92/54/213279254.db2.gz WGWSQKWKHXXUKW-UHFFFAOYSA-N 0 0 337.806 5.693 10 0 EKAERN CCc1ccc(NC(=O)c2ccc(Oc3cccc(C)c3)cc2)cc1 ZINC000040178925 213279210 /nfs/dbraw/zinc/27/92/10/213279210.db2.gz JQCCGXWYWLUANV-UHFFFAOYSA-N 0 0 331.415 5.602 10 0 EKAERN Cc1cccc(Oc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)c1 ZINC000040178926 213279258 /nfs/dbraw/zinc/27/92/58/213279258.db2.gz HRRGIQPFALGEQL-UHFFFAOYSA-N 0 0 345.442 6.163 10 0 EKAERN CC(=O)c1ccc(NC(=O)c2ccc(Oc3cccc(C)c3)cc2)cc1 ZINC000040178930 213279916 /nfs/dbraw/zinc/27/99/16/213279916.db2.gz AKZGTGGCFPONJA-UHFFFAOYSA-N 0 0 345.398 5.242 10 0 EKAERN Cc1cccc(Oc2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2)c1 ZINC000040178931 213279804 /nfs/dbraw/zinc/27/98/04/213279804.db2.gz RDPXMTGGPJRSMQ-UHFFFAOYSA-N 0 0 331.415 5.656 10 0 EKAERN Cc1cccc(Oc2ccc(C(=O)Nc3cccc(C)c3C)cc2)c1 ZINC000040178956 213279905 /nfs/dbraw/zinc/27/99/05/213279905.db2.gz RDFKRCBUWBKELB-UHFFFAOYSA-N 0 0 331.415 5.656 10 0 EKAERN CCc1cccc(C)c1NC(=O)c1ccc(Oc2cccc(C)c2)cc1 ZINC000040178971 213279096 /nfs/dbraw/zinc/27/90/96/213279096.db2.gz QQFWIXYEROEKQC-UHFFFAOYSA-N 0 0 345.442 5.910 10 0 EKAERN COc1ccc(NC(=O)c2ccc(Oc3ccc(C)cc3)cc2)cc1 ZINC000040179003 213279422 /nfs/dbraw/zinc/27/94/22/213279422.db2.gz AQRRRBZXKXVPDO-UHFFFAOYSA-N 0 0 333.387 5.048 10 0 EKAERN COc1cccc(NC(=O)c2ccc(Oc3ccc(C)cc3)cc2)c1 ZINC000040179004 213279385 /nfs/dbraw/zinc/27/93/85/213279385.db2.gz OBNPRDMJLSNGRL-UHFFFAOYSA-N 0 0 333.387 5.048 10 0 EKAERN COc1ccccc1NC(=O)c1ccc(Oc2ccc(C)cc2)cc1 ZINC000040179005 213279109 /nfs/dbraw/zinc/27/91/09/213279109.db2.gz YABAHOGXQWKDBQ-UHFFFAOYSA-N 0 0 333.387 5.048 10 0 EKAERN Cc1ccc(Oc2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000040179006 213279542 /nfs/dbraw/zinc/27/95/42/213279542.db2.gz NGHKTVLULHZPBG-UHFFFAOYSA-N 0 0 331.415 5.656 10 0 EKAERN Cc1ccc(Oc2ccc(C(=O)Nc3cc(C)ccc3C)cc2)cc1 ZINC000040179007 213280014 /nfs/dbraw/zinc/28/00/14/213280014.db2.gz SZWJVKRQVYOGBZ-UHFFFAOYSA-N 0 0 331.415 5.656 10 0 EKAERN Cc1ccc(Oc2ccc(C(=O)Nc3ccc(C)cc3C)cc2)cc1 ZINC000040179008 213279606 /nfs/dbraw/zinc/27/96/06/213279606.db2.gz FTEUPPKYNYWGJQ-UHFFFAOYSA-N 0 0 331.415 5.656 10 0 EKAERN CCc1ccc(NC(=O)c2ccc(Oc3ccc(C)cc3)cc2)cc1 ZINC000040179025 213279526 /nfs/dbraw/zinc/27/95/26/213279526.db2.gz XDGPKXZAOHCFLA-UHFFFAOYSA-N 0 0 331.415 5.602 10 0 EKAERN Cc1ccc(Oc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)cc1 ZINC000040179026 213279201 /nfs/dbraw/zinc/27/92/01/213279201.db2.gz XDWYTGBYPQHNEI-UHFFFAOYSA-N 0 0 345.442 6.163 10 0 EKAERN CCOc1ccc(NC(=O)c2ccc(Oc3ccc(C)cc3)cc2)cc1 ZINC000040179027 213279359 /nfs/dbraw/zinc/27/93/59/213279359.db2.gz YBPAWNMQXDFWIK-UHFFFAOYSA-N 0 0 347.414 5.438 10 0 EKAERN CCOc1ccccc1NC(=O)c1ccc(Oc2ccc(C)cc2)cc1 ZINC000040179028 213280007 /nfs/dbraw/zinc/28/00/07/213280007.db2.gz BVGZKDZUVYLTMX-UHFFFAOYSA-N 0 0 347.414 5.438 10 0 EKAERN CC(=O)c1cccc(NC(=O)c2ccc(Oc3ccc(C)cc3)cc2)c1 ZINC000040179029 213279215 /nfs/dbraw/zinc/27/92/15/213279215.db2.gz SFGINGKGTUWUSJ-UHFFFAOYSA-N 0 0 345.398 5.242 10 0 EKAERN CC(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(C)cc3)cc2)cc1 ZINC000040179030 213279752 /nfs/dbraw/zinc/27/97/52/213279752.db2.gz AQEWCSHUORIGIA-UHFFFAOYSA-N 0 0 345.398 5.242 10 0 EKAERN Cc1ccc(Oc2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2)cc1 ZINC000040179031 213279225 /nfs/dbraw/zinc/27/92/25/213279225.db2.gz UQUUJAOUHVALBO-UHFFFAOYSA-N 0 0 331.415 5.656 10 0 EKAERN CCc1ccccc1NC(=O)c1ccc(Oc2ccc(C)cc2)cc1 ZINC000040179035 213280046 /nfs/dbraw/zinc/28/00/46/213280046.db2.gz MQZRXKHHOLVNIL-UHFFFAOYSA-N 0 0 331.415 5.602 10 0 EKAERN Cc1ccc(Oc2ccc(C(=O)Nc3cccc(C)c3C)cc2)cc1 ZINC000040179056 213279624 /nfs/dbraw/zinc/27/96/24/213279624.db2.gz DGKCIEGGCASJTB-UHFFFAOYSA-N 0 0 331.415 5.656 10 0 EKAERN Cc1ccc(Oc2ccc(C(=O)Nc3c(C)cccc3C)cc2)cc1 ZINC000040179073 213279009 /nfs/dbraw/zinc/27/90/09/213279009.db2.gz ZBTYKACNLWOEDC-UHFFFAOYSA-N 0 0 331.415 5.656 10 0 EKAERN COc1ccc(Oc2ccc(C(=O)Nc3ccc(C)cc3)cc2)cc1 ZINC000040179100 202428649 /nfs/dbraw/zinc/42/86/49/202428649.db2.gz KWHDJPFLBSDTSB-UHFFFAOYSA-N 0 0 333.387 5.048 10 0 EKAERN COc1ccc(Oc2ccc(C(=O)Nc3cccc(C)c3)cc2)cc1 ZINC000040179101 213279002 /nfs/dbraw/zinc/27/90/02/213279002.db2.gz BKAGCRXICZMHST-UHFFFAOYSA-N 0 0 333.387 5.048 10 0 EKAERN COc1ccc(Oc2ccc(C(=O)Nc3ccccc3C)cc2)cc1 ZINC000040179102 213279491 /nfs/dbraw/zinc/27/94/91/213279491.db2.gz VYIRIGJHOWWJDF-UHFFFAOYSA-N 0 0 333.387 5.048 10 0 EKAERN COc1ccc(Oc2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)cc1 ZINC000040179106 213279562 /nfs/dbraw/zinc/27/95/62/213279562.db2.gz TUTLVEGCBQIAHR-UHFFFAOYSA-N 0 0 347.414 5.357 10 0 EKAERN COc1ccc(Oc2ccc(C(=O)Nc3ccc(C)cc3C)cc2)cc1 ZINC000040179108 213279629 /nfs/dbraw/zinc/27/96/29/213279629.db2.gz WEBHKZPHSRWWLL-UHFFFAOYSA-N 0 0 347.414 5.357 10 0 EKAERN CCc1ccc(NC(=O)c2ccc(Oc3ccc(OC)cc3)cc2)cc1 ZINC000040179125 213279025 /nfs/dbraw/zinc/27/90/25/213279025.db2.gz XLLKGVHLBKZLNT-UHFFFAOYSA-N 0 0 347.414 5.302 10 0 EKAERN COc1ccc(Oc2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2)cc1 ZINC000040179131 213279642 /nfs/dbraw/zinc/27/96/42/213279642.db2.gz DNZIJEXJQSLPDJ-UHFFFAOYSA-N 0 0 347.414 5.357 10 0 EKAERN COc1ccc(Oc2ccc(C(=O)Nc3cccc(C)c3C)cc2)cc1 ZINC000040179155 213279993 /nfs/dbraw/zinc/27/99/93/213279993.db2.gz DCFGQZYCKAUWMW-UHFFFAOYSA-N 0 0 347.414 5.357 10 0 EKAERN COc1ccc(Oc2ccc(C(=O)Nc3c(C)cccc3C)cc2)cc1 ZINC000040179173 213279179 /nfs/dbraw/zinc/27/91/79/213279179.db2.gz RVAGDVKRYODLEQ-UHFFFAOYSA-N 0 0 347.414 5.357 10 0 EKAERN Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccc(C)c(C)c1 ZINC000040179334 213280391 /nfs/dbraw/zinc/28/03/91/213280391.db2.gz GZBZUIPULNYMQF-UHFFFAOYSA-N 0 0 339.822 5.778 10 0 EKAERN Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1cc(C)ccc1C ZINC000040179335 213280960 /nfs/dbraw/zinc/28/09/60/213280960.db2.gz ZPKAPXNQWMILHK-UHFFFAOYSA-N 0 0 339.822 5.778 10 0 EKAERN Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccc(C)cc1C ZINC000040179336 213280931 /nfs/dbraw/zinc/28/09/31/213280931.db2.gz PWMARSCRGLQZSS-UHFFFAOYSA-N 0 0 339.822 5.778 10 0 EKAERN CCc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)oc2C)cc1 ZINC000040179347 213280966 /nfs/dbraw/zinc/28/09/66/213280966.db2.gz YJLYPETYDLVZKM-UHFFFAOYSA-N 0 0 339.822 5.723 10 0 EKAERN Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1cc(C)cc(C)c1 ZINC000040179349 213280782 /nfs/dbraw/zinc/28/07/82/213280782.db2.gz ZIWQFGAROUOMBX-UHFFFAOYSA-N 0 0 339.822 5.778 10 0 EKAERN Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1cccc(C)c1C ZINC000040179366 213280697 /nfs/dbraw/zinc/28/06/97/213280697.db2.gz QCQSDSDYSOAHAM-UHFFFAOYSA-N 0 0 339.822 5.778 10 0 EKAERN Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)N(C)c1ccccc1 ZINC000040179382 213280365 /nfs/dbraw/zinc/28/03/65/213280365.db2.gz FDGZFKAVSDYDGX-UHFFFAOYSA-N 0 0 325.795 5.185 10 0 EKAERN Cc1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)ccc1Cl ZINC000040179502 213280870 /nfs/dbraw/zinc/28/08/70/213280870.db2.gz HEHQFSLABMOGHS-UHFFFAOYSA-N 0 0 337.806 5.693 10 0 EKAERN Cc1c(Cl)cccc1NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000040179519 213280945 /nfs/dbraw/zinc/28/09/45/213280945.db2.gz PQRVDLFWZKBSBQ-UHFFFAOYSA-N 0 0 337.806 5.693 10 0 EKAERN CCCCc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000040179524 202429050 /nfs/dbraw/zinc/42/90/50/202429050.db2.gz LADNFOFZDAXTCX-UHFFFAOYSA-N 0 0 345.442 6.074 10 0 EKAERN CCCn1c2ccccc2nc1C(c1ccccc1)c1ccccc1 ZINC000040210394 213281411 /nfs/dbraw/zinc/28/14/11/213281411.db2.gz RUMJSGWEBIJCEB-UHFFFAOYSA-N 0 0 326.443 5.627 10 0 EKAERN CC(C)Cn1c2ccccc2nc1C(c1ccccc1)c1ccccc1 ZINC000040210395 213281511 /nfs/dbraw/zinc/28/15/11/213281511.db2.gz ALQLBMIFRAQARF-UHFFFAOYSA-N 0 0 340.470 5.873 10 0 EKAERN CCCCn1c2ccccc2nc1C(c1ccccc1)c1ccccc1 ZINC000040210399 213281503 /nfs/dbraw/zinc/28/15/03/213281503.db2.gz SRRSHHIWIWNMKO-UHFFFAOYSA-N 0 0 340.470 6.017 10 0 EKAERN CCCn1c2ccccc2nc1Cc1ccc(-c2ccccc2)cc1 ZINC000040210534 213281740 /nfs/dbraw/zinc/28/17/40/213281740.db2.gz WJCJUTNMVZOWJP-UHFFFAOYSA-N 0 0 326.443 5.704 10 0 EKAERN CC(C)Cn1c2ccccc2nc1Cc1ccc(-c2ccccc2)cc1 ZINC000040210535 213281746 /nfs/dbraw/zinc/28/17/46/213281746.db2.gz WKGICDFBWUFLJI-UHFFFAOYSA-N 0 0 340.470 5.950 10 0 EKAERN CCCCn1c2ccccc2nc1Cc1ccc(-c2ccccc2)cc1 ZINC000040210540 213281549 /nfs/dbraw/zinc/28/15/49/213281549.db2.gz DWOFZDLGQZXJGT-UHFFFAOYSA-N 0 0 340.470 6.094 10 0 EKAERN Cc1ccc(-c2nc3ccccc3n2Cc2ccccc2C)c(C)c1 ZINC000040210691 213281764 /nfs/dbraw/zinc/28/17/64/213281764.db2.gz FMLRRPSNGJLRTK-UHFFFAOYSA-N 0 0 326.443 5.677 10 0 EKAERN Cc1cccc(Cn2c3ccccc3nc2-c2ccc(C)cc2C)c1 ZINC000040210693 213281551 /nfs/dbraw/zinc/28/15/51/213281551.db2.gz HAPAWLXNCKQHPY-UHFFFAOYSA-N 0 0 326.443 5.677 10 0 EKAERN Cc1ccc(-c2nc3ccccc3n2Cc2ccccc2F)c(C)c1 ZINC000040210698 202429738 /nfs/dbraw/zinc/42/97/38/202429738.db2.gz JFYSSNTXXVBERF-UHFFFAOYSA-N 0 0 330.406 5.508 10 0 EKAERN Cc1ccc(-c2nc3ccccc3n2Cc2ccccc2Cl)c(C)c1 ZINC000040210699 213281584 /nfs/dbraw/zinc/28/15/84/213281584.db2.gz QWGQTAHOPFPFKR-UHFFFAOYSA-N 0 0 346.861 6.022 10 0 EKAERN Cc1ccc(-c2nc3ccccc3n2Cc2ccc(Cl)cc2)c(C)c1 ZINC000040210701 202429471 /nfs/dbraw/zinc/42/94/71/202429471.db2.gz WXIPZVSVVUVFFC-UHFFFAOYSA-N 0 0 346.861 6.022 10 0 EKAERN COc1ccc(Cn2c3ccccc3nc2-c2ccc(C)cc2C)cc1 ZINC000040210706 213281405 /nfs/dbraw/zinc/28/14/05/213281405.db2.gz XAODBZRJMDQQCP-UHFFFAOYSA-N 0 0 342.442 5.377 10 0 EKAERN COc1ccccc1Cn1c2ccccc2nc1-c1ccc(C)cc1C ZINC000040210711 213281565 /nfs/dbraw/zinc/28/15/65/213281565.db2.gz CLQVUAHWASBPGO-UHFFFAOYSA-N 0 0 342.442 5.377 10 0 EKAERN Cc1ccc(-c2nc3ccccc3n2CCc2ccccc2)c(C)c1 ZINC000040210715 213281529 /nfs/dbraw/zinc/28/15/29/213281529.db2.gz ZXRUICCXMUQRAS-UHFFFAOYSA-N 0 0 326.443 5.563 10 0 EKAERN Cc1ccc(-c2nc3ccccc3n2CCC2CCCCC2)c(C)c1 ZINC000040210716 213281757 /nfs/dbraw/zinc/28/17/57/213281757.db2.gz MHCNFORITXXHMR-UHFFFAOYSA-N 0 0 332.491 6.291 10 0 EKAERN Cc1ccc(-c2nc3ccccc3n2CCOc2ccccc2)c(C)c1 ZINC000040210719 213281553 /nfs/dbraw/zinc/28/15/53/213281553.db2.gz DIMCKDAOFOTDSM-UHFFFAOYSA-N 0 0 342.442 5.399 10 0 EKAERN Cc1ccc(-c2nc3ccccc3n2CC(=O)c2ccccc2)c(C)c1 ZINC000040210828 213281417 /nfs/dbraw/zinc/28/14/17/213281417.db2.gz XLAHGPHCPPLVOX-UHFFFAOYSA-N 0 0 340.426 5.203 10 0 EKAERN CCCCCn1c2ccccc2nc1-c1ccc(Cl)cc1Cl ZINC000040210850 213281762 /nfs/dbraw/zinc/28/17/62/213281762.db2.gz AOHLZRWOSORHJE-UHFFFAOYSA-N 0 0 333.262 6.200 10 0 EKAERN CCCCCCn1c2ccccc2nc1-c1ccc(Cl)cc1Cl ZINC000040210851 213281515 /nfs/dbraw/zinc/28/15/15/213281515.db2.gz BYCPEGKWQRODGG-UHFFFAOYSA-N 0 0 347.289 6.590 10 0 EKAERN CCOCCn1c2ccccc2nc1-c1ccc(Cl)cc1Cl ZINC000040210966 213281581 /nfs/dbraw/zinc/28/15/81/213281581.db2.gz PUXSUHSUIAVYML-UHFFFAOYSA-N 0 0 335.234 5.047 10 0 EKAERN Cc1cc2ncn(CCCOc3cc(C)c(Cl)c(C)c3)c2cc1C ZINC000040224089 213282313 /nfs/dbraw/zinc/28/23/13/213282313.db2.gz QNWYCBZUDLZKQY-UHFFFAOYSA-N 0 0 342.870 5.392 10 0 EKAERN Cc1cc2ncn(CCCOc3ccc(Cl)c(C)c3)c2cc1C ZINC000040224091 213281990 /nfs/dbraw/zinc/28/19/90/213281990.db2.gz YIRZXMHRUNLJJW-UHFFFAOYSA-N 0 0 328.843 5.084 10 0 EKAERN Cc1cc2ncn(CCCOc3ccc(C(C)(C)C)cc3)c2cc1C ZINC000040224102 213282788 /nfs/dbraw/zinc/28/27/88/213282788.db2.gz PSNBYFXMLGAACF-UHFFFAOYSA-N 0 0 336.479 5.420 10 0 EKAERN Cc1cc2ncn(CCCCOc3ccc(Cl)cc3)c2cc1C ZINC000040224141 213282180 /nfs/dbraw/zinc/28/21/80/213282180.db2.gz XJMFKSNWZKQLRI-UHFFFAOYSA-N 0 0 328.843 5.166 10 0 EKAERN Cc1nc2ccccc2n1CCCOc1cc(C)c(Cl)c(C)c1 ZINC000040224686 213282016 /nfs/dbraw/zinc/28/20/16/213282016.db2.gz AXWSOMULAAOYHZ-UHFFFAOYSA-N 0 0 328.843 5.084 10 0 EKAERN Cc1nc2ccccc2n1CCCCOc1ccc(Cl)c(C)c1 ZINC000040224735 213282891 /nfs/dbraw/zinc/28/28/91/213282891.db2.gz RIRUSUFMKXWGKR-UHFFFAOYSA-N 0 0 328.843 5.166 10 0 EKAERN Cc1nc2ccccc2n1CCCCOc1ccc(C(C)(C)C)cc1 ZINC000040224744 213283047 /nfs/dbraw/zinc/28/30/47/213283047.db2.gz SPCWIIUCWXKIFE-UHFFFAOYSA-N 0 0 336.479 5.501 10 0 EKAERN Cc1nc2ccccc2n1CCCCOc1cc(C)c(Cl)c(C)c1 ZINC000040224774 213282123 /nfs/dbraw/zinc/28/21/23/213282123.db2.gz VFYWYGCJOXWSBH-UHFFFAOYSA-N 0 0 342.870 5.474 10 0 EKAERN c1ccc(CCCn2c3ccccc3nc2Cc2ccccc2)cc1 ZINC000040225480 213282649 /nfs/dbraw/zinc/28/26/49/213282649.db2.gz ICLTWYAXICCMRK-UHFFFAOYSA-N 0 0 326.443 5.260 10 0 EKAERN Cc1ccccc1Cn1c2ccccc2nc1Cc1ccccc1Cl ZINC000040225653 213282617 /nfs/dbraw/zinc/28/26/17/213282617.db2.gz ACEZZVIXWLBTMI-UHFFFAOYSA-N 0 0 346.861 5.637 10 0 EKAERN Cc1cccc(Cn2c3ccccc3nc2Cc2ccccc2Cl)c1 ZINC000040225657 213282775 /nfs/dbraw/zinc/28/27/75/213282775.db2.gz BVHNQQUIEPAHCN-UHFFFAOYSA-N 0 0 346.861 5.637 10 0 EKAERN Cc1ccc(Cn2c3ccccc3nc2Cc2ccccc2Cl)cc1 ZINC000040225698 213282869 /nfs/dbraw/zinc/28/28/69/213282869.db2.gz YQMRRCYIIBYPRY-UHFFFAOYSA-N 0 0 346.861 5.637 10 0 EKAERN Cc1ccccc1Cc1nc2ccccc2n1Cc1ccccc1C ZINC000040226404 213282210 /nfs/dbraw/zinc/28/22/10/213282210.db2.gz WWANCGSRXCOEHP-UHFFFAOYSA-N 0 0 326.443 5.292 10 0 EKAERN Cc1cccc(Cn2c3ccccc3nc2Cc2ccccc2C)c1 ZINC000040226408 213282233 /nfs/dbraw/zinc/28/22/33/213282233.db2.gz LCUCLOXDTXZORG-UHFFFAOYSA-N 0 0 326.443 5.292 10 0 EKAERN Cc1ccccc1Cc1nc2ccccc2n1Cc1ccccc1Cl ZINC000040226420 213283000 /nfs/dbraw/zinc/28/30/00/213283000.db2.gz JRSXGBBSZYWWER-UHFFFAOYSA-N 0 0 346.861 5.637 10 0 EKAERN Cc1ccccc1Cc1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000040226424 213282078 /nfs/dbraw/zinc/28/20/78/213282078.db2.gz PMJKEYHDRFWZFI-UHFFFAOYSA-N 0 0 346.861 5.637 10 0 EKAERN Cc1ccccc1Cc1nc2ccccc2n1Cc1ccc(F)cc1 ZINC000040226432 213282821 /nfs/dbraw/zinc/28/28/21/213282821.db2.gz RFPRMULGUVGTMW-UHFFFAOYSA-N 0 0 330.406 5.123 10 0 EKAERN Cc1ccc(Cn2c3ccccc3nc2Cc2ccccc2C)cc1 ZINC000040226451 213282348 /nfs/dbraw/zinc/28/23/48/213282348.db2.gz WGGHJWOJWARXJL-UHFFFAOYSA-N 0 0 326.443 5.292 10 0 EKAERN Cc1ccccc1Cc1nc2ccccc2n1CCc1ccccc1 ZINC000040226453 213283005 /nfs/dbraw/zinc/28/30/05/213283005.db2.gz VBRIVMHUCPMXSC-UHFFFAOYSA-N 0 0 326.443 5.178 10 0 EKAERN Cc1ccccc1Cc1nc2ccccc2n1CCCc1ccccc1 ZINC000040226457 213282344 /nfs/dbraw/zinc/28/23/44/213282344.db2.gz ZFTLOAYTEWRQFS-UHFFFAOYSA-N 0 0 340.470 5.568 10 0 EKAERN Cc1ccccc1Cc1nc2ccccc2n1CCOc1ccccc1 ZINC000040226461 213282483 /nfs/dbraw/zinc/28/24/83/213282483.db2.gz JSUIRZPKXYEYKK-UHFFFAOYSA-N 0 0 342.442 5.015 10 0 EKAERN CCc1nc2ccccc2n1CCCOc1cc(C)c(Cl)c(C)c1 ZINC000040227411 213283368 /nfs/dbraw/zinc/28/33/68/213283368.db2.gz AKRQJMSHLIUWJT-UHFFFAOYSA-N 0 0 342.870 5.338 10 0 EKAERN CCc1nc2ccccc2n1CCCOc1ccc(Cl)c(C)c1 ZINC000040227413 213284094 /nfs/dbraw/zinc/28/40/94/213284094.db2.gz KOOCHMZSZWTNDP-UHFFFAOYSA-N 0 0 328.843 5.030 10 0 EKAERN CCc1nc2ccccc2n1CCCOc1ccc(C(C)(C)C)cc1 ZINC000040227423 213283952 /nfs/dbraw/zinc/28/39/52/213283952.db2.gz CGZCUAWPCSKBKN-UHFFFAOYSA-N 0 0 336.479 5.365 10 0 EKAERN CCc1nc2ccccc2n1CCCCOc1ccc(Cl)c(C)c1 ZINC000040231153 213283376 /nfs/dbraw/zinc/28/33/76/213283376.db2.gz WGYPGMFEDOVIOV-UHFFFAOYSA-N 0 0 342.870 5.420 10 0 EKAERN Cc1ccc(C(C)C)c(OCCn2c3ccccc3nc2C(C)C)c1 ZINC000040231244 213283221 /nfs/dbraw/zinc/28/32/21/213283221.db2.gz LNOPMPDFIJAPGV-UHFFFAOYSA-N 0 0 336.479 5.671 10 0 EKAERN Cc1cc(OCCn2c3ccccc3nc2C(C)C)cc(C)c1Cl ZINC000040231261 213283260 /nfs/dbraw/zinc/28/32/60/213283260.db2.gz SSDMFZFORLDVFD-UHFFFAOYSA-N 0 0 342.870 5.509 10 0 EKAERN Cc1cc(OCCn2c3ccccc3nc2C(C)C)ccc1Cl ZINC000040231263 213283727 /nfs/dbraw/zinc/28/37/27/213283727.db2.gz ZWZKAMOJTBXRRL-UHFFFAOYSA-N 0 0 328.843 5.201 10 0 EKAERN CC(C)c1nc2ccccc2n1CCCOc1ccccc1Cl ZINC000040231297 213283217 /nfs/dbraw/zinc/28/32/17/213283217.db2.gz HXMTUGMAHUCXES-UHFFFAOYSA-N 0 0 328.843 5.282 10 0 EKAERN Cc1cc(OCCCn2c3ccccc3nc2C(C)C)ccc1Cl ZINC000040231307 213284118 /nfs/dbraw/zinc/28/41/18/213284118.db2.gz XPXKMYCQCBZJGU-UHFFFAOYSA-N 0 0 342.870 5.591 10 0 EKAERN CC(C)c1nc2ccccc2n1CCCOc1ccc(C(C)C)cc1 ZINC000040231311 213283254 /nfs/dbraw/zinc/28/32/54/213283254.db2.gz NMTYYEHVUUYFNF-UHFFFAOYSA-N 0 0 336.479 5.752 10 0 EKAERN Cc1cccc(C)c1OCCCCn1c2ccccc2nc1C(C)C ZINC000040231332 213283871 /nfs/dbraw/zinc/28/38/71/213283871.db2.gz PIGNFPKXNRHNGC-UHFFFAOYSA-N 0 0 336.479 5.636 10 0 EKAERN Cc1ccc(OCCCCn2c3ccccc3nc2C(C)C)cc1C ZINC000040231348 213284071 /nfs/dbraw/zinc/28/40/71/213284071.db2.gz LDUVOXMSGSXQIP-UHFFFAOYSA-N 0 0 336.479 5.636 10 0 EKAERN COc1cccc(OCCCCn2c3ccccc3nc2C(C)C)c1 ZINC000040231350 213283715 /nfs/dbraw/zinc/28/37/15/213283715.db2.gz CEGRLNVSZSPQOQ-UHFFFAOYSA-N 0 0 338.451 5.028 10 0 EKAERN Cc1cc(C)cc(OCCCCn2c3ccccc3nc2C(C)C)c1 ZINC000040231352 213283519 /nfs/dbraw/zinc/28/35/19/213283519.db2.gz HVHPKVHOMDIFKL-UHFFFAOYSA-N 0 0 336.479 5.636 10 0 EKAERN Cc1cccc(OCCn2c3ccccc3nc2C2CCCCC2)c1C ZINC000040231441 213284170 /nfs/dbraw/zinc/28/41/70/213284170.db2.gz PVNFVYFGJIWCAQ-UHFFFAOYSA-N 0 0 348.490 5.780 10 0 EKAERN Cc1ccc(OCCn2c3ccccc3nc2C2CCCCC2)cc1C ZINC000040231493 213283601 /nfs/dbraw/zinc/28/36/01/213283601.db2.gz XAGJBGWFRZSLDH-UHFFFAOYSA-N 0 0 348.490 5.780 10 0 EKAERN c1ccc(OCCCCn2c3ccccc3nc2C2CCCCC2)cc1 ZINC000040231495 213283454 /nfs/dbraw/zinc/28/34/54/213283454.db2.gz VORQFJAWKQQPIP-UHFFFAOYSA-N 0 0 348.490 5.943 10 0 EKAERN Cc1cc(OCCn2c3ccccc3nc2C2CC2)cc(C)c1Cl ZINC000040231615 213284196 /nfs/dbraw/zinc/28/41/96/213284196.db2.gz URSOXHVDDNENLO-UHFFFAOYSA-N 0 0 340.854 5.263 10 0 EKAERN CC(C)(C)c1ccc(OCCn2c3ccccc3nc2C2CC2)cc1 ZINC000040231623 213283619 /nfs/dbraw/zinc/28/36/19/213283619.db2.gz MZDXSJZVGZJUTA-UHFFFAOYSA-N 0 0 334.463 5.290 10 0 EKAERN Cc1cccc(C)c1OCCCCn1c2ccccc2nc1C1CC1 ZINC000040231660 213283565 /nfs/dbraw/zinc/28/35/65/213283565.db2.gz VFKLRDLMUVXPOO-UHFFFAOYSA-N 0 0 334.463 5.390 10 0 EKAERN CC(C)c1ccccc1OCCn1c2ccccc2nc1C(F)(F)F ZINC000040231790 213283385 /nfs/dbraw/zinc/28/33/85/213283385.db2.gz ZSLAOVJVTISDHI-UHFFFAOYSA-N 0 0 348.368 5.258 10 0 EKAERN Cc1cccc(OCCCn2c3ccccc3nc2C(F)(F)F)c1C ZINC000040231826 213283577 /nfs/dbraw/zinc/28/35/77/213283577.db2.gz PLESRBRIKVIBIE-UHFFFAOYSA-N 0 0 348.368 5.141 10 0 EKAERN Cc1ccc(OCCCn2c3ccccc3nc2C(F)(F)F)c(C)c1 ZINC000040231828 213284223 /nfs/dbraw/zinc/28/42/23/213284223.db2.gz HJYLPQZUYCDVFW-UHFFFAOYSA-N 0 0 348.368 5.141 10 0 EKAERN Cc1ccc(C)c(OCCCn2c3ccccc3nc2C(F)(F)F)c1 ZINC000040231833 213284038 /nfs/dbraw/zinc/28/40/38/213284038.db2.gz WXXQYKGPHIZTFQ-UHFFFAOYSA-N 0 0 348.368 5.141 10 0 EKAERN Cc1cc(C)cc(OCCCn2c3ccccc3nc2C(F)(F)F)c1 ZINC000040231853 213284370 /nfs/dbraw/zinc/28/43/70/213284370.db2.gz KAVDEKIVLADYEB-UHFFFAOYSA-N 0 0 348.368 5.141 10 0 EKAERN Cc1ccc(OCCCn2c3ccccc3nc2C(F)(F)F)cc1C ZINC000040231863 213283300 /nfs/dbraw/zinc/28/33/00/213283300.db2.gz FEUPVOSCVYXMCM-UHFFFAOYSA-N 0 0 348.368 5.141 10 0 EKAERN CCc1ccc(OCCCn2c3ccccc3nc2C(F)(F)F)cc1 ZINC000040231873 213283676 /nfs/dbraw/zinc/28/36/76/213283676.db2.gz CAHQVZGBVDOSSE-UHFFFAOYSA-N 0 0 348.368 5.087 10 0 EKAERN Cc1ccccc1OCCCCn1c2ccccc2nc1C(F)(F)F ZINC000040231883 213283743 /nfs/dbraw/zinc/28/37/43/213283743.db2.gz KAOJIUWZMFDIKO-UHFFFAOYSA-N 0 0 348.368 5.223 10 0 EKAERN Cc1cccc(OCCCCn2c3ccccc3nc2C(F)(F)F)c1 ZINC000040231907 213284044 /nfs/dbraw/zinc/28/40/44/213284044.db2.gz QULLXMQKFWGUMZ-UHFFFAOYSA-N 0 0 348.368 5.223 10 0 EKAERN Cc1ccc(OCCCCn2c3ccccc3nc2C(F)(F)F)cc1 ZINC000040231963 213284331 /nfs/dbraw/zinc/28/43/31/213284331.db2.gz LYCYYXCLWBYOPV-UHFFFAOYSA-N 0 0 348.368 5.223 10 0 EKAERN c1ccc(CCCn2c(COc3ccccc3)nc3ccccc32)cc1 ZINC000040232185 213283862 /nfs/dbraw/zinc/28/38/62/213283862.db2.gz HXAZSSXOOKCJTE-UHFFFAOYSA-N 0 0 342.442 5.248 10 0 EKAERN Cc1cccc(Cn2c(COc3cccc(C)c3)nc3ccccc32)c1 ZINC000040234012 213283286 /nfs/dbraw/zinc/28/32/86/213283286.db2.gz VKTYXKRCSLKGAR-UHFFFAOYSA-N 0 0 342.442 5.280 10 0 EKAERN Cc1cccc(OCc2nc3ccccc3n2Cc2ccc(F)cc2)c1 ZINC000040234031 213283396 /nfs/dbraw/zinc/28/33/96/213283396.db2.gz FJETYRJQSXZZBD-UHFFFAOYSA-N 0 0 346.405 5.111 10 0 EKAERN Cc1ccc(Cn2c(COc3cccc(C)c3)nc3ccccc32)cc1 ZINC000040234050 213283706 /nfs/dbraw/zinc/28/37/06/213283706.db2.gz HQDOXSFJHMCIDS-UHFFFAOYSA-N 0 0 342.442 5.280 10 0 EKAERN Cc1cccc(OCc2nc3ccccc3n2CCc2ccccc2)c1 ZINC000040234053 213283962 /nfs/dbraw/zinc/28/39/62/213283962.db2.gz RJEWPNZPSSQULS-UHFFFAOYSA-N 0 0 342.442 5.166 10 0 EKAERN Cc1cccc(OCc2nc3ccccc3n2CCC2CCCCC2)c1 ZINC000040234055 213283350 /nfs/dbraw/zinc/28/33/50/213283350.db2.gz LEWTVNIOAZRFQH-UHFFFAOYSA-N 0 0 348.490 5.894 10 0 EKAERN CCc1ccc(OCc2nc3ccccc3n2Cc2ccccc2)cc1 ZINC000040234989 202430010 /nfs/dbraw/zinc/43/00/10/202430010.db2.gz RMVJUNLHNOLLMN-UHFFFAOYSA-N 0 0 342.442 5.226 10 0 EKAERN CC(C)CCn1c(COc2ccc(C(C)C)cc2)nc2ccccc21 ZINC000040235596 213283964 /nfs/dbraw/zinc/28/39/64/213283964.db2.gz YIBCRWMWIAQYLR-UHFFFAOYSA-N 0 0 336.479 5.785 10 0 EKAERN Fc1ccccc1Cn1c2ccccc2nc1CCc1ccccc1 ZINC000040238216 213284087 /nfs/dbraw/zinc/28/40/87/213284087.db2.gz QDQDXNYEQIDLJN-UHFFFAOYSA-N 0 0 330.406 5.009 10 0 EKAERN c1ccc(CCCn2c3ccccc3nc2CCc2ccccc2)cc1 ZINC000040238223 213283749 /nfs/dbraw/zinc/28/37/49/213283749.db2.gz ZZYSSWMQTRXUFH-UHFFFAOYSA-N 0 0 340.470 5.454 10 0 EKAERN C(=C/c1ccccc1)\Cn1c2ccccc2nc1CCc1ccccc1 ZINC000040238224 213284186 /nfs/dbraw/zinc/28/41/86/213284186.db2.gz CPSAQOZHGMASPV-NTEUORMPSA-N 0 0 338.454 5.535 10 0 EKAERN C(=C/c1ccccc1)\c1nc2ccccc2n1CCCc1ccccc1 ZINC000040238325 213283509 /nfs/dbraw/zinc/28/35/09/213283509.db2.gz NLJPQECFIZIUKJ-ISLYRVAYSA-N 0 0 338.454 5.840 10 0 EKAERN O=C(Cn1c(C=Cc2ccccc2)nc2ccccc21)c1ccccc1 ZINC000040238411 213284357 /nfs/dbraw/zinc/28/43/57/213284357.db2.gz PJUIWYIWRSXSFV-FOCLMDBBSA-N 0 0 338.410 5.090 10 0 EKAERN Cc1cc(C)c(Cn2c(/C=C/c3ccco3)nc3ccccc32)c(C)c1 ZINC000040238633 213283242 /nfs/dbraw/zinc/28/32/42/213283242.db2.gz SQNMKDNWVFBGRX-ZHACJKMWSA-N 0 0 342.442 5.773 10 0 EKAERN C(=C/c1nc2ccccc2n1CCCc1ccccc1)\c1ccco1 ZINC000040238644 202429304 /nfs/dbraw/zinc/42/93/04/202429304.db2.gz AVCXPVSBUYNEJB-CCEZHUSRSA-N 0 0 328.415 5.433 10 0 EKAERN C(=C/c1ccccc1)\Cn1c(/C=C/c2ccco2)nc2ccccc21 ZINC000040238645 213283515 /nfs/dbraw/zinc/28/35/15/213283515.db2.gz ZDIINKMIJYIEDF-NBOHUEJISA-N 0 0 326.399 5.513 10 0 EKAERN Clc1ccc(Cn2c3ccccc3nc2-c2ccco2)c(Cl)c1 ZINC000040238994 213284207 /nfs/dbraw/zinc/28/42/07/213284207.db2.gz SAMIMPAZGJAWCF-UHFFFAOYSA-N 0 0 343.213 5.651 10 0 EKAERN CC(C)(C)c1ccc(Cn2c3ccccc3nc2-c2ccco2)cc1 ZINC000040238999 213284079 /nfs/dbraw/zinc/28/40/79/213284079.db2.gz PYPCNUWZKAKJPJ-UHFFFAOYSA-N 0 0 330.431 5.642 10 0 EKAERN CC(C)c1ccccc1OCCn1c2ccccc2nc1-c1ccco1 ZINC000040239008 213284342 /nfs/dbraw/zinc/28/43/42/213284342.db2.gz LNHDAYHRJZAAED-UHFFFAOYSA-N 0 0 346.430 5.499 10 0 EKAERN Clc1ccccc1OCCn1c2ccccc2nc1-c1ccco1 ZINC000040239013 213283423 /nfs/dbraw/zinc/28/34/23/213283423.db2.gz RFJGHVYODPSRDQ-UHFFFAOYSA-N 0 0 338.794 5.029 10 0 EKAERN CC(C)c1ccc(OCCn2c3ccccc3nc2-c2ccco2)cc1 ZINC000040239018 213283867 /nfs/dbraw/zinc/28/38/67/213283867.db2.gz KRMQIARSTPJUEE-UHFFFAOYSA-N 0 0 346.430 5.499 10 0 EKAERN Cc1cccc(C)c1OCCCn1c2ccccc2nc1-c1ccco1 ZINC000040239027 213284005 /nfs/dbraw/zinc/28/40/05/213284005.db2.gz QLMPHQOKZFRYTB-UHFFFAOYSA-N 0 0 346.430 5.382 10 0 EKAERN Cc1cc(C)cc(OCCCn2c3ccccc3nc2-c2ccco2)c1 ZINC000040239037 213284024 /nfs/dbraw/zinc/28/40/24/213284024.db2.gz XNAVMAUUVKNKIZ-UHFFFAOYSA-N 0 0 346.430 5.382 10 0 EKAERN Cc1ccc(OCCCn2c3ccccc3nc2-c2ccco2)cc1 ZINC000040239041 213283767 /nfs/dbraw/zinc/28/37/67/213283767.db2.gz UNKUNYWWUWUOJH-UHFFFAOYSA-N 0 0 332.403 5.074 10 0 EKAERN Cc1ccc(OCCCn2c3ccccc3nc2-c2ccco2)cc1C ZINC000040239042 213283336 /nfs/dbraw/zinc/28/33/36/213283336.db2.gz ZYMUOBRRVDSSPB-UHFFFAOYSA-N 0 0 346.430 5.382 10 0 EKAERN c1coc(-c2nc3ccccc3n2CCCCOc2ccccc2)c1 ZINC000040239050 213283982 /nfs/dbraw/zinc/28/39/82/213283982.db2.gz KUUIIBKJAUCTPB-UHFFFAOYSA-N 0 0 332.403 5.156 10 0 EKAERN CC(C)(C)c1ccc(Cn2c3ccccc3nc2-c2cccs2)cc1 ZINC000040239108 213284143 /nfs/dbraw/zinc/28/41/43/213284143.db2.gz AAAYVRHOKGLCPR-UHFFFAOYSA-N 0 0 346.499 6.111 10 0 EKAERN CC(C)c1ccc(Cn2c3ccccc3nc2-c2cccs2)cc1 ZINC000040239109 213283433 /nfs/dbraw/zinc/28/34/33/213283433.db2.gz PFOOJLZPLIIRBM-UHFFFAOYSA-N 0 0 332.472 5.937 10 0 EKAERN Cc1cccc(C)c1OCCn1c2ccccc2nc1-c1cccs1 ZINC000040239116 213283265 /nfs/dbraw/zinc/28/32/65/213283265.db2.gz PHFVAHQQJWTRCI-UHFFFAOYSA-N 0 0 348.471 5.461 10 0 EKAERN Cc1cccc(OCCn2c3ccccc3nc2-c2cccs2)c1 ZINC000040239122 213283211 /nfs/dbraw/zinc/28/32/11/213283211.db2.gz PAGPFMHGBHOHNX-UHFFFAOYSA-N 0 0 334.444 5.152 10 0 EKAERN Cc1cc(C)cc(OCCn2c3ccccc3nc2-c2cccs2)c1 ZINC000040239123 213284166 /nfs/dbraw/zinc/28/41/66/213284166.db2.gz ZKYIDFJLUMGTLR-UHFFFAOYSA-N 0 0 348.471 5.461 10 0 EKAERN Cc1cccc(OCCCn2c3ccccc3nc2-c2cccs2)c1 ZINC000040239144 213283654 /nfs/dbraw/zinc/28/36/54/213283654.db2.gz OTIWTFYJFGTZBE-UHFFFAOYSA-N 0 0 348.471 5.542 10 0 EKAERN CC(C)(C)c1nc2ccccc2n1Cc1cccc(Br)c1 ZINC000040239211 213283740 /nfs/dbraw/zinc/28/37/40/213283740.db2.gz QVNOTSURIAYVMD-UHFFFAOYSA-N 0 0 343.268 5.145 10 0 EKAERN CC(C)(C)c1nc2ccccc2n1Cc1ccc(Br)cc1 ZINC000040239212 213284228 /nfs/dbraw/zinc/28/42/28/213284228.db2.gz ZTFPWOHPOKIVMX-UHFFFAOYSA-N 0 0 343.268 5.145 10 0 EKAERN CC(C)c1ccccc1OCCn1c2ccccc2nc1C(C)(C)C ZINC000040239225 213283885 /nfs/dbraw/zinc/28/38/85/213283885.db2.gz JGUQMACZIPZWNI-UHFFFAOYSA-N 0 0 336.479 5.536 10 0 EKAERN Cc1cc(OCCn2c3ccccc3nc2C(C)(C)C)ccc1Cl ZINC000040239233 213283494 /nfs/dbraw/zinc/28/34/94/213283494.db2.gz HLDAWOJBXFMROX-UHFFFAOYSA-N 0 0 342.870 5.375 10 0 EKAERN CC(C)c1ccc(OCCn2c3ccccc3nc2C(C)(C)C)cc1 ZINC000040239236 213283672 /nfs/dbraw/zinc/28/36/72/213283672.db2.gz UQGXPPXOOWQDLL-UHFFFAOYSA-N 0 0 336.479 5.536 10 0 EKAERN CC(C)(C)c1nc2ccccc2n1CCOc1cccc2ccccc21 ZINC000040239242 213283309 /nfs/dbraw/zinc/28/33/09/213283309.db2.gz JZKSVJYDUQAJHL-UHFFFAOYSA-N 0 0 344.458 5.566 10 0 EKAERN Cc1cccc(OCCCn2c3ccccc3nc2C(C)(C)C)c1C ZINC000040239245 213284050 /nfs/dbraw/zinc/28/40/50/213284050.db2.gz GNTOQKCJJFYCRE-UHFFFAOYSA-N 0 0 336.479 5.420 10 0 EKAERN Cc1ccc(OCCCn2c3ccccc3nc2C(C)(C)C)c(C)c1 ZINC000040239246 213284718 /nfs/dbraw/zinc/28/47/18/213284718.db2.gz IDPBGRDJLNWEON-UHFFFAOYSA-N 0 0 336.479 5.420 10 0 EKAERN Cc1cccc(C)c1OCCCn1c2ccccc2nc1C(C)(C)C ZINC000040239247 213284781 /nfs/dbraw/zinc/28/47/81/213284781.db2.gz VQJSWDUBIIGSEC-UHFFFAOYSA-N 0 0 336.479 5.420 10 0 EKAERN CC(C)(C)c1nc2ccccc2n1CCCOc1ccccc1Cl ZINC000040239255 213285289 /nfs/dbraw/zinc/28/52/89/213285289.db2.gz CQAQDDXVMTYODJ-UHFFFAOYSA-N 0 0 342.870 5.456 10 0 EKAERN CC(C)(C)c1nc2ccccc2n1CCCOc1ccc(Cl)cc1 ZINC000040239261 213284936 /nfs/dbraw/zinc/28/49/36/213284936.db2.gz UGFHCUGDNMABHA-UHFFFAOYSA-N 0 0 342.870 5.456 10 0 EKAERN Cc1ccc(OCCCn2c3ccccc3nc2C(C)(C)C)cc1C ZINC000040239263 213284810 /nfs/dbraw/zinc/28/48/10/213284810.db2.gz HFESQQJIKBMKJD-UHFFFAOYSA-N 0 0 336.479 5.420 10 0 EKAERN CCc1ccc(OCCCn2c3ccccc3nc2C(C)(C)C)cc1 ZINC000040239269 213285297 /nfs/dbraw/zinc/28/52/97/213285297.db2.gz IYEFIJQMIHSXHE-UHFFFAOYSA-N 0 0 336.479 5.365 10 0 EKAERN Cc1ccc(OCCCCn2c3ccccc3nc2C(C)(C)C)cc1 ZINC000040239331 202429362 /nfs/dbraw/zinc/42/93/62/202429362.db2.gz AGVYDIPBHQUQBM-UHFFFAOYSA-N 0 0 336.479 5.501 10 0 EKAERN c1ccc(-c2nc3ccccc3n2Cc2cccc3ccccc32)cc1 ZINC000040239341 213284911 /nfs/dbraw/zinc/28/49/11/213284911.db2.gz LMSVGCSMDRJJFP-UHFFFAOYSA-N 0 0 334.422 5.905 10 0 EKAERN Cc1ccccc1OCCn1c2ccccc2nc1-c1ccccc1 ZINC000040239344 213284574 /nfs/dbraw/zinc/28/45/74/213284574.db2.gz BIENDONOZYEKDZ-UHFFFAOYSA-N 0 0 328.415 5.091 10 0 EKAERN Cc1cccc(OCCn2c3ccccc3nc2-c2ccccc2)c1C ZINC000040239345 213285174 /nfs/dbraw/zinc/28/51/74/213285174.db2.gz UZBFJWWCYUFMGO-UHFFFAOYSA-N 0 0 342.442 5.399 10 0 EKAERN Cc1ccc(OCCn2c3ccccc3nc2-c2ccccc2)c(C)c1 ZINC000040239346 213284890 /nfs/dbraw/zinc/28/48/90/213284890.db2.gz UNFHUYGKUPMHOQ-UHFFFAOYSA-N 0 0 342.442 5.399 10 0 EKAERN Cc1cccc(C)c1OCCn1c2ccccc2nc1-c1ccccc1 ZINC000040239348 213284727 /nfs/dbraw/zinc/28/47/27/213284727.db2.gz VPMVKNYOEINADI-UHFFFAOYSA-N 0 0 342.442 5.399 10 0 EKAERN Cc1cc(C)cc(OCCn2c3ccccc3nc2-c2ccccc2)c1 ZINC000040239356 213285271 /nfs/dbraw/zinc/28/52/71/213285271.db2.gz XRAVVVUGDVSFCG-UHFFFAOYSA-N 0 0 342.442 5.399 10 0 EKAERN Cc1ccc(OCCn2c3ccccc3nc2-c2ccccc2)cc1 ZINC000040239359 213284637 /nfs/dbraw/zinc/28/46/37/213284637.db2.gz CPYDHWXVHHNVFD-UHFFFAOYSA-N 0 0 328.415 5.091 10 0 EKAERN CCc1ccc(OCCn2c3ccccc3nc2-c2ccccc2)cc1 ZINC000040239360 213284739 /nfs/dbraw/zinc/28/47/39/213284739.db2.gz SVPMQSYSJPUJEM-UHFFFAOYSA-N 0 0 342.442 5.345 10 0 EKAERN Cc1ccc(OCCn2c3ccccc3nc2-c2ccccc2)cc1C ZINC000040239387 213284796 /nfs/dbraw/zinc/28/47/96/213284796.db2.gz CKIGBOFOYGUPIN-UHFFFAOYSA-N 0 0 342.442 5.399 10 0 EKAERN c1ccc(OCCCCn2c3ccccc3nc2-c2ccccc2)cc1 ZINC000040239388 213285169 /nfs/dbraw/zinc/28/51/69/213285169.db2.gz FMJBVJBTEXMHJZ-UHFFFAOYSA-N 0 0 342.442 5.563 10 0 EKAERN O=C(Cn1c2ccccc2nc1-c1ccccc1)c1ccc(Cl)cc1 ZINC000040239431 213285311 /nfs/dbraw/zinc/28/53/11/213285311.db2.gz PHQMVGOUINBTMD-UHFFFAOYSA-N 0 0 346.817 5.240 10 0 EKAERN Cc1ccc(C)c(Cn2c3ccccc3nc2-c2ccccc2C)c1 ZINC000040239457 213285276 /nfs/dbraw/zinc/28/52/76/213285276.db2.gz JMZOESOMGPHVHL-UHFFFAOYSA-N 0 0 326.443 5.677 10 0 EKAERN Cc1cc(C)c(Cn2c3ccccc3nc2-c2ccccc2C)c(C)c1 ZINC000040239460 213285251 /nfs/dbraw/zinc/28/52/51/213285251.db2.gz VQVTUDOQQYPIQK-UHFFFAOYSA-N 0 0 340.470 5.985 10 0 EKAERN Cc1ccccc1-c1nc2ccccc2n1Cc1ccccc1Cl ZINC000040239463 213284795 /nfs/dbraw/zinc/28/47/95/213284795.db2.gz PYEJFFWMLXXAMB-UHFFFAOYSA-N 0 0 332.834 5.713 10 0 EKAERN Cc1ccccc1-c1nc2ccccc2n1Cc1ccc(C(C)C)cc1 ZINC000040239473 202429432 /nfs/dbraw/zinc/42/94/32/202429432.db2.gz OSAAQPSQZVERJY-UHFFFAOYSA-N 0 0 340.470 6.183 10 0 EKAERN COc1ccccc1Cn1c2ccccc2nc1-c1ccccc1C ZINC000040239474 213284785 /nfs/dbraw/zinc/28/47/85/213284785.db2.gz JPGCWSCACJOLEK-UHFFFAOYSA-N 0 0 328.415 5.069 10 0 EKAERN Cc1ccccc1-c1nc2ccccc2n1Cc1ccc2ccccc2c1 ZINC000040239476 213284737 /nfs/dbraw/zinc/28/47/37/213284737.db2.gz HZJAVROXBMSQLW-UHFFFAOYSA-N 0 0 348.449 6.213 10 0 EKAERN Cc1ccccc1-c1nc2ccccc2n1CCCc1ccccc1 ZINC000040239480 213285054 /nfs/dbraw/zinc/28/50/54/213285054.db2.gz WXAHWRFAJPSOBK-UHFFFAOYSA-N 0 0 326.443 5.645 10 0 EKAERN Cc1ccccc1OCCn1c2ccccc2nc1-c1ccccc1C ZINC000040239482 213284916 /nfs/dbraw/zinc/28/49/16/213284916.db2.gz PHLKTXZWZZUKHZ-UHFFFAOYSA-N 0 0 342.442 5.399 10 0 EKAERN Cc1ccc(OCCn2c3ccccc3nc2-c2ccccc2C)cc1 ZINC000040239500 213285178 /nfs/dbraw/zinc/28/51/78/213285178.db2.gz SFXQOCSCGNSYRG-UHFFFAOYSA-N 0 0 342.442 5.399 10 0 EKAERN Cc1cccc(-c2nc3ccccc3n2Cc2cc(C)ccc2C)c1 ZINC000040239600 202429311 /nfs/dbraw/zinc/42/93/11/202429311.db2.gz DNIHSJWJDNPENM-UHFFFAOYSA-N 0 0 326.443 5.677 10 0 EKAERN Cc1cccc(-c2nc3ccccc3n2Cc2c(C)cc(C)cc2C)c1 ZINC000040239602 213284950 /nfs/dbraw/zinc/28/49/50/213284950.db2.gz ZAJDPWKWSVYWDO-UHFFFAOYSA-N 0 0 340.470 5.985 10 0 EKAERN Cc1cccc(-c2nc3ccccc3n2Cc2ccc(Cl)cc2)c1 ZINC000040239605 213284765 /nfs/dbraw/zinc/28/47/65/213284765.db2.gz WZRUGWIQMSBLAD-UHFFFAOYSA-N 0 0 332.834 5.713 10 0 EKAERN COc1ccc(Cn2c3ccccc3nc2-c2cccc(C)c2)cc1 ZINC000040239608 213284824 /nfs/dbraw/zinc/28/48/24/213284824.db2.gz QCPHOVZNTAEIFI-UHFFFAOYSA-N 0 0 328.415 5.069 10 0 EKAERN Cc1cccc(-c2nc3ccccc3n2Cc2ccc(C(C)C)cc2)c1 ZINC000040239612 213284659 /nfs/dbraw/zinc/28/46/59/213284659.db2.gz PREYVLSTNYXZBA-UHFFFAOYSA-N 0 0 340.470 6.183 10 0 EKAERN COc1ccccc1Cn1c2ccccc2nc1-c1cccc(C)c1 ZINC000040239613 213284826 /nfs/dbraw/zinc/28/48/26/213284826.db2.gz JLHQTBWULPABGV-UHFFFAOYSA-N 0 0 328.415 5.069 10 0 EKAERN Cc1cccc(-c2nc3ccccc3n2Cc2cccc3ccccc32)c1 ZINC000040239614 202429490 /nfs/dbraw/zinc/42/94/90/202429490.db2.gz FYBLUFAFYSPEPS-UHFFFAOYSA-N 0 0 348.449 6.213 10 0 EKAERN Cc1cccc(-c2nc3ccccc3n2Cc2ccc3ccccc3c2)c1 ZINC000040239615 213285138 /nfs/dbraw/zinc/28/51/38/213285138.db2.gz HGMIUUPYVCWZMW-UHFFFAOYSA-N 0 0 348.449 6.213 10 0 EKAERN Cc1cccc(-c2nc3ccccc3n2CCCc2ccccc2)c1 ZINC000040239617 213285135 /nfs/dbraw/zinc/28/51/35/213285135.db2.gz OCIQYURIHGLHIG-UHFFFAOYSA-N 0 0 326.443 5.645 10 0 EKAERN Cc1cccc(-c2nc3ccccc3n2CCCOc2ccccc2)c1 ZINC000040239641 213285072 /nfs/dbraw/zinc/28/50/72/213285072.db2.gz UDPNNKWOTIINSX-UHFFFAOYSA-N 0 0 342.442 5.481 10 0 EKAERN Cc1ccc(-c2nc3ccccc3n2Cc2cc(C)ccc2C)cc1 ZINC000040239724 213284771 /nfs/dbraw/zinc/28/47/71/213284771.db2.gz SZWLWKBRPSWOEY-UHFFFAOYSA-N 0 0 326.443 5.677 10 0 EKAERN COc1ccc(Cn2c3ccccc3nc2-c2ccc(C)cc2)cc1 ZINC000040239732 213285214 /nfs/dbraw/zinc/28/52/14/213285214.db2.gz RXQBQRCJEKCLFU-UHFFFAOYSA-N 0 0 328.415 5.069 10 0 EKAERN COc1ccccc1Cn1c2ccccc2nc1-c1ccc(C)cc1 ZINC000040239735 213284867 /nfs/dbraw/zinc/28/48/67/213284867.db2.gz WAHOZROLGLCOPU-UHFFFAOYSA-N 0 0 328.415 5.069 10 0 EKAERN Cc1ccc(-c2nc3ccccc3n2CCCc2ccccc2)cc1 ZINC000040239736 213284758 /nfs/dbraw/zinc/28/47/58/213284758.db2.gz BWHZMGABDSMCHP-UHFFFAOYSA-N 0 0 326.443 5.645 10 0 EKAERN Cc1ccccc1Cn1c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000040249400 213284789 /nfs/dbraw/zinc/28/47/89/213284789.db2.gz TXUYGGMGALUKNQ-UHFFFAOYSA-N 0 0 332.834 5.713 10 0 EKAERN Cc1ccc(C)c(Cn2c3ccccc3nc2-c2ccc(Cl)cc2)c1 ZINC000040249401 213284818 /nfs/dbraw/zinc/28/48/18/213284818.db2.gz ROLBSDJJLUGTND-UHFFFAOYSA-N 0 0 346.861 6.022 10 0 EKAERN Cc1cccc(Cn2c3ccccc3nc2-c2ccc(Cl)cc2)c1 ZINC000040249402 213284956 /nfs/dbraw/zinc/28/49/56/213284956.db2.gz KKYWUPHHWRTVRG-UHFFFAOYSA-N 0 0 332.834 5.713 10 0 EKAERN Fc1ccccc1Cn1c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000040249407 213284932 /nfs/dbraw/zinc/28/49/32/213284932.db2.gz JRXRIXUAERDLLZ-UHFFFAOYSA-N 0 0 336.797 5.544 10 0 EKAERN Fc1ccc(Cn2c3ccccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000040249412 213285106 /nfs/dbraw/zinc/28/51/06/213285106.db2.gz RLOSHQKWENFMNP-UHFFFAOYSA-N 0 0 336.797 5.544 10 0 EKAERN COc1ccc(Cn2c3ccccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000040249413 213285057 /nfs/dbraw/zinc/28/50/57/213285057.db2.gz FTZUXLZBCBYGHT-UHFFFAOYSA-N 0 0 348.833 5.414 10 0 EKAERN COc1ccccc1Cn1c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000040249418 213285049 /nfs/dbraw/zinc/28/50/49/213285049.db2.gz UMUPBNFUKZCHDK-UHFFFAOYSA-N 0 0 348.833 5.414 10 0 EKAERN Cc1ccc(Cn2c3ccccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000040249421 213284851 /nfs/dbraw/zinc/28/48/51/213284851.db2.gz GYXLCULQFYEFBF-UHFFFAOYSA-N 0 0 332.834 5.713 10 0 EKAERN Clc1ccc(-c2nc3ccccc3n2CCCc2ccccc2)cc1 ZINC000040249422 202430544 /nfs/dbraw/zinc/43/05/44/202430544.db2.gz ZJIZCIBZHPJJCP-UHFFFAOYSA-N 0 0 346.861 5.990 10 0 EKAERN Clc1ccc(-c2nc3ccccc3n2C/C=C/c2ccccc2)cc1 ZINC000040249423 213284976 /nfs/dbraw/zinc/28/49/76/213284976.db2.gz VHHIJJOTZDXSGL-RMKNXTFCSA-N 0 0 344.845 6.070 10 0 EKAERN O=C(Cn1c2ccccc2nc1-c1ccc(Cl)cc1)c1ccccc1 ZINC000040249520 213284579 /nfs/dbraw/zinc/28/45/79/213284579.db2.gz CFAMDYHLABXDJH-UHFFFAOYSA-N 0 0 346.817 5.240 10 0 EKAERN CC(C)CCn1c2ccccc2nc1-c1ccc(Br)cc1 ZINC000040249535 213285188 /nfs/dbraw/zinc/28/51/88/213285188.db2.gz UORDGNSUCUHRHC-UHFFFAOYSA-N 0 0 343.268 5.512 10 0 EKAERN CCCCCn1c2ccccc2nc1-c1ccc(Br)cc1 ZINC000040249536 213284841 /nfs/dbraw/zinc/28/48/41/213284841.db2.gz QIPNNYFITGNIHY-UHFFFAOYSA-N 0 0 343.268 5.656 10 0 EKAERN Cc1ccc(C)c(Cn2c3ccccc3nc2-c2ccc(F)cc2)c1 ZINC000040249687 213284960 /nfs/dbraw/zinc/28/49/60/213284960.db2.gz HYDJEBSMKNRGGW-UHFFFAOYSA-N 0 0 330.406 5.508 10 0 EKAERN Cc1cc(C)c(Cn2c3ccccc3nc2-c2ccc(F)cc2)c(C)c1 ZINC000040249688 213285307 /nfs/dbraw/zinc/28/53/07/213285307.db2.gz NDBQZJIWNRIAMQ-UHFFFAOYSA-N 0 0 344.433 5.816 10 0 EKAERN Fc1ccc(-c2nc3ccccc3n2CCCc2ccccc2)cc1 ZINC000040249694 213285003 /nfs/dbraw/zinc/28/50/03/213285003.db2.gz ALRRCDPASQWKLQ-UHFFFAOYSA-N 0 0 330.406 5.475 10 0 EKAERN Fc1ccc(-c2nc3ccccc3n2C/C=C/c2ccccc2)cc1 ZINC000040249695 202431002 /nfs/dbraw/zinc/43/10/02/202431002.db2.gz SLYOBORBINDQRC-RMKNXTFCSA-N 0 0 328.390 5.556 10 0 EKAERN COc1ccc(-c2nc3ccccc3n2CCCc2ccccc2)cc1 ZINC000040249718 202431299 /nfs/dbraw/zinc/43/12/99/202431299.db2.gz MQNOVGXOEZZNAT-UHFFFAOYSA-N 0 0 342.442 5.345 10 0 EKAERN COc1ccc(-c2nc3ccccc3n2C/C=C/c2ccccc2)cc1 ZINC000040249719 213284783 /nfs/dbraw/zinc/28/47/83/213284783.db2.gz JUMZMLCIUOISJS-JXMROGBWSA-N 0 0 340.426 5.425 10 0 EKAERN COc1cccc(-c2nc3ccccc3n2Cc2ccccc2C)c1 ZINC000040250098 213284799 /nfs/dbraw/zinc/28/47/99/213284799.db2.gz FKTWBADVLQURFA-UHFFFAOYSA-N 0 0 328.415 5.069 10 0 EKAERN COc1cccc(-c2nc3ccccc3n2Cc2cc(C)ccc2C)c1 ZINC000040250099 213284883 /nfs/dbraw/zinc/28/48/83/213284883.db2.gz JZXYLZAWEZIVPF-UHFFFAOYSA-N 0 0 342.442 5.377 10 0 EKAERN COc1cccc(-c2nc3ccccc3n2Cc2ccc(Cl)cc2)c1 ZINC000040250108 213285267 /nfs/dbraw/zinc/28/52/67/213285267.db2.gz DYFLNKZKKORAHM-UHFFFAOYSA-N 0 0 348.833 5.414 10 0 EKAERN COc1cccc(-c2nc3ccccc3n2Cc2ccc(C)cc2)c1 ZINC000040250121 213284675 /nfs/dbraw/zinc/28/46/75/213284675.db2.gz YUKFJXWYFYGXCP-UHFFFAOYSA-N 0 0 328.415 5.069 10 0 EKAERN COc1cccc(-c2nc3ccccc3n2CCC2CCCCC2)c1 ZINC000040250123 202430892 /nfs/dbraw/zinc/43/08/92/202430892.db2.gz RPXRTIHTERCUTN-UHFFFAOYSA-N 0 0 334.463 5.682 10 0 EKAERN COc1cccc(-c2nc3ccccc3n2CCCc2ccccc2)c1 ZINC000040250124 213284725 /nfs/dbraw/zinc/28/47/25/213284725.db2.gz XJYPOOYTHFODEK-UHFFFAOYSA-N 0 0 342.442 5.345 10 0 EKAERN COc1cccc(-c2nc3ccccc3n2C/C=C/c2ccccc2)c1 ZINC000040250125 202431246 /nfs/dbraw/zinc/43/12/46/202431246.db2.gz IBFMVXNHBLEZQK-DHZHZOJOSA-N 0 0 340.426 5.425 10 0 EKAERN CCCCCn1c2ccccc2nc1-c1cccc(Br)c1 ZINC000040250244 213284732 /nfs/dbraw/zinc/28/47/32/213284732.db2.gz AXQOUNXSCDWXSM-UHFFFAOYSA-N 0 0 343.268 5.656 10 0 EKAERN Cc1ccccc1Cn1c2ccccc2nc1-c1cccc(Cl)c1 ZINC000040250381 213284630 /nfs/dbraw/zinc/28/46/30/213284630.db2.gz IHQHLWPAQCRTQV-UHFFFAOYSA-N 0 0 332.834 5.713 10 0 EKAERN Cc1ccc(C)c(Cn2c3ccccc3nc2-c2cccc(Cl)c2)c1 ZINC000040250382 202430926 /nfs/dbraw/zinc/43/09/26/202430926.db2.gz OJJRQLSJMPIKGH-UHFFFAOYSA-N 0 0 346.861 6.022 10 0 EKAERN Cc1cccc(Cn2c3ccccc3nc2-c2cccc(Cl)c2)c1 ZINC000040250383 213284835 /nfs/dbraw/zinc/28/48/35/213284835.db2.gz BSZXZDSDXAQBED-UHFFFAOYSA-N 0 0 332.834 5.713 10 0 EKAERN Fc1ccccc1Cn1c2ccccc2nc1-c1cccc(Cl)c1 ZINC000040250388 213284858 /nfs/dbraw/zinc/28/48/58/213284858.db2.gz JRICDYWTTANJBK-UHFFFAOYSA-N 0 0 336.797 5.544 10 0 EKAERN Fc1ccc(Cn2c3ccccc3nc2-c2cccc(Cl)c2)cc1 ZINC000040250395 213285087 /nfs/dbraw/zinc/28/50/87/213285087.db2.gz QUONYULSGIEPNZ-UHFFFAOYSA-N 0 0 336.797 5.544 10 0 EKAERN COc1ccc(Cn2c3ccccc3nc2-c2cccc(Cl)c2)cc1 ZINC000040250396 213284744 /nfs/dbraw/zinc/28/47/44/213284744.db2.gz WNCMLMPYHHYOGP-UHFFFAOYSA-N 0 0 348.833 5.414 10 0 EKAERN COc1ccccc1Cn1c2ccccc2nc1-c1cccc(Cl)c1 ZINC000040250401 213285115 /nfs/dbraw/zinc/28/51/15/213285115.db2.gz MRDWNAZVPCBNCE-UHFFFAOYSA-N 0 0 348.833 5.414 10 0 EKAERN Clc1cccc(-c2nc3ccccc3n2CCc2ccccc2)c1 ZINC000040250405 213284816 /nfs/dbraw/zinc/28/48/16/213284816.db2.gz CPPYDDUQIMACJL-UHFFFAOYSA-N 0 0 332.834 5.599 10 0 EKAERN Clc1cccc(-c2nc3ccccc3n2CCC2CCCCC2)c1 ZINC000040250406 213284565 /nfs/dbraw/zinc/28/45/65/213284565.db2.gz YZQHVJWOKQWWRQ-UHFFFAOYSA-N 0 0 338.882 6.327 10 0 EKAERN Clc1cccc(-c2nc3ccccc3n2CCCc2ccccc2)c1 ZINC000040250407 213285200 /nfs/dbraw/zinc/28/52/00/213285200.db2.gz KCMBWROPZZBZAQ-UHFFFAOYSA-N 0 0 346.861 5.990 10 0 EKAERN Clc1cccc(-c2nc3ccccc3n2C/C=C/c2ccccc2)c1 ZINC000040250408 213284773 /nfs/dbraw/zinc/28/47/73/213284773.db2.gz SZVOFPKUPLGYKI-JXMROGBWSA-N 0 0 344.845 6.070 10 0 EKAERN Clc1cccc(-c2nc3ccccc3n2CCOc2ccccc2)c1 ZINC000040250409 213284702 /nfs/dbraw/zinc/28/47/02/213284702.db2.gz OCVWPDREJRBBBM-UHFFFAOYSA-N 0 0 348.833 5.436 10 0 EKAERN Cc1ccc(C)c(Cn2c3ccccc3nc2-c2ccccc2Cl)c1 ZINC000040250527 213284589 /nfs/dbraw/zinc/28/45/89/213284589.db2.gz CWGDZEGAFDVNQP-UHFFFAOYSA-N 0 0 346.861 6.022 10 0 EKAERN Fc1ccccc1Cn1c2ccccc2nc1-c1ccccc1Cl ZINC000040250531 213284671 /nfs/dbraw/zinc/28/46/71/213284671.db2.gz GFWHCVAHSJZJPT-UHFFFAOYSA-N 0 0 336.797 5.544 10 0 EKAERN COc1ccc(Cn2c3ccccc3nc2-c2ccccc2Cl)cc1 ZINC000040250534 202430528 /nfs/dbraw/zinc/43/05/28/202430528.db2.gz QLDQWPJMONADCI-UHFFFAOYSA-N 0 0 348.833 5.414 10 0 EKAERN COc1ccccc1Cn1c2ccccc2nc1-c1ccccc1Cl ZINC000040250537 213284893 /nfs/dbraw/zinc/28/48/93/213284893.db2.gz QGSQJSIICVSIGS-UHFFFAOYSA-N 0 0 348.833 5.414 10 0 EKAERN Clc1ccccc1-c1nc2ccccc2n1CCCc1ccccc1 ZINC000040250538 213284775 /nfs/dbraw/zinc/28/47/75/213284775.db2.gz PIDMPLIJJRTBJD-UHFFFAOYSA-N 0 0 346.861 5.990 10 0 EKAERN Clc1ccccc1-c1nc2ccccc2n1C/C=C/c1ccccc1 ZINC000040250539 213284723 /nfs/dbraw/zinc/28/47/23/213284723.db2.gz OEWXBYAOFUFSMM-DHZHZOJOSA-N 0 0 344.845 6.070 10 0 EKAERN Cc1cc(C)c(Cn2c3ccccc3nc2-c2ccccc2F)c(C)c1 ZINC000040250632 213284914 /nfs/dbraw/zinc/28/49/14/213284914.db2.gz RSJXIJVXVCTBNZ-UHFFFAOYSA-N 0 0 344.433 5.816 10 0 EKAERN Fc1ccccc1-c1nc2ccccc2n1CCCc1ccccc1 ZINC000040250639 213285036 /nfs/dbraw/zinc/28/50/36/213285036.db2.gz JCTILCMDCFDEDN-UHFFFAOYSA-N 0 0 330.406 5.475 10 0 EKAERN Fc1ccccc1-c1nc2ccccc2n1C/C=C/c1ccccc1 ZINC000040250640 213285112 /nfs/dbraw/zinc/28/51/12/213285112.db2.gz XTVFQKPIWVYNMS-DHZHZOJOSA-N 0 0 328.390 5.556 10 0 EKAERN Cc1ccccc1NC(=O)Cn1c2ccccc2nc1C1CCCCC1 ZINC000040295811 213289790 /nfs/dbraw/zinc/28/97/90/213289790.db2.gz VJACOPASRREXLR-UHFFFAOYSA-N 0 0 347.462 5.031 10 0 EKAERN Cc1cccc(NC(=O)Cn2c3ccccc3nc2C2CCCCC2)c1 ZINC000040295821 213290002 /nfs/dbraw/zinc/29/00/02/213290002.db2.gz RKILGQAVLWDSTL-UHFFFAOYSA-N 0 0 347.462 5.031 10 0 EKAERN Clc1cccc(Cl)c1CNc1nc2ccccc2nc1Cl ZINC000040312262 213290684 /nfs/dbraw/zinc/29/06/84/213290684.db2.gz CLRSTMGHBQXWAH-UHFFFAOYSA-N 0 0 338.625 5.202 10 0 EKAERN Cc1nc(C(=O)Nc2ccc(Cl)cc2)c(-c2ccccc2)s1 ZINC000040326284 213292529 /nfs/dbraw/zinc/29/25/29/213292529.db2.gz LWQBRGRHWPFAJJ-UHFFFAOYSA-N 0 0 328.824 5.024 10 0 EKAERN Cc1nc(C(=O)Nc2cccc3ccccc32)c(-c2ccccc2)s1 ZINC000040326316 213291751 /nfs/dbraw/zinc/29/17/51/213291751.db2.gz YAXNLOUBLNQGJR-UHFFFAOYSA-N 0 0 344.439 5.524 10 0 EKAERN Cc1nc(C(=O)Nc2ccc3ccccc3c2)c(-c2ccccc2)s1 ZINC000040326318 213292289 /nfs/dbraw/zinc/29/22/89/213292289.db2.gz JNMWQRNASSRGDQ-UHFFFAOYSA-N 0 0 344.439 5.524 10 0 EKAERN Cc1nc(C(=O)Nc2ccc(C)c(Cl)c2)c(-c2ccccc2)s1 ZINC000040326345 213292098 /nfs/dbraw/zinc/29/20/98/213292098.db2.gz MXECEWDJHWBJOM-UHFFFAOYSA-N 0 0 342.851 5.333 10 0 EKAERN Cc1nc(C(=O)Nc2cccc(Cl)c2C)c(-c2ccccc2)s1 ZINC000040326350 213292230 /nfs/dbraw/zinc/29/22/30/213292230.db2.gz CEVADVJDYAGPJI-UHFFFAOYSA-N 0 0 342.851 5.333 10 0 EKAERN Cc1nc(C(=O)Sc2ccc(Cl)cc2)c(-c2ccccc2)s1 ZINC000040326395 213291923 /nfs/dbraw/zinc/29/19/23/213291923.db2.gz WQGYZPOEXHWJJD-UHFFFAOYSA-N 0 0 345.876 5.704 10 0 EKAERN Cc1nc(C(=O)Nc2cc(Cl)ccc2C)c(-c2ccccc2)s1 ZINC000040326466 213292010 /nfs/dbraw/zinc/29/20/10/213292010.db2.gz BVEYWNYJAGHGES-UHFFFAOYSA-N 0 0 342.851 5.333 10 0 EKAERN CCOC(=O)c1ccc(Nc2ccnc3c(C)c(Cl)ccc23)cc1 ZINC000040358908 213293368 /nfs/dbraw/zinc/29/33/68/213293368.db2.gz MFPKZVLKAMLIOK-UHFFFAOYSA-N 0 0 340.810 5.117 10 0 EKAERN Cc1c(Cl)ccc2c(Nc3ccc(Br)cc3)ccnc12 ZINC000040358920 213293577 /nfs/dbraw/zinc/29/35/77/213293577.db2.gz WECOXLAXLSGKAT-UHFFFAOYSA-N 0 0 347.643 5.703 10 0 EKAERN Cc1c(Cl)ccc2c(Nc3cccc(Br)c3)ccnc12 ZINC000040358924 213293124 /nfs/dbraw/zinc/29/31/24/213293124.db2.gz DTQQRTGXXBAEOG-UHFFFAOYSA-N 0 0 347.643 5.703 10 0 EKAERN Cc1c(Cl)ccc2c(Nc3ccccc3C(F)(F)F)ccnc12 ZINC000040358966 213293816 /nfs/dbraw/zinc/29/38/16/213293816.db2.gz MLPKHEVKZNGJEM-UHFFFAOYSA-N 0 0 336.744 5.959 10 0 EKAERN Cc1c(Cl)ccc2c(Nc3cccc(C(F)(F)F)c3)ccnc12 ZINC000040358970 213293225 /nfs/dbraw/zinc/29/32/25/213293225.db2.gz XMCSOIDZUOCHBG-UHFFFAOYSA-N 0 0 336.744 5.959 10 0 EKAERN Cc1c(Cl)ccc2c(NC(=O)c3ccc(Cl)cc3)ccnc12 ZINC000040359201 213293925 /nfs/dbraw/zinc/29/39/25/213293925.db2.gz BSJRJUBHJNYYHB-UHFFFAOYSA-N 0 0 331.202 5.102 10 0 EKAERN Cc1cc(NC(=O)/C=C/c2ccccc2)c2ccc(Cl)c(C)c2n1 ZINC000040359484 213293117 /nfs/dbraw/zinc/29/31/17/213293117.db2.gz BZFNZXKGQXHXKN-DHZHZOJOSA-N 0 0 336.822 5.157 10 0 EKAERN Cc1cc(NC(=O)c2ccc(Cl)cc2)c2ccc(Cl)c(C)c2n1 ZINC000040359522 213293504 /nfs/dbraw/zinc/29/35/04/213293504.db2.gz QIPAPGUYECSHLL-UHFFFAOYSA-N 0 0 345.229 5.411 10 0 EKAERN Cc1cc(NC(=O)/C=C/c2cccs2)c2ccc(Cl)c(C)c2n1 ZINC000040359544 213293419 /nfs/dbraw/zinc/29/34/19/213293419.db2.gz PTWMEYUXROQEBN-VMPITWQZSA-N 0 0 342.851 5.218 10 0 EKAERN Cc1cc(C)c2c(n1)sc1c2ncnc1SCc1ccccc1 ZINC000040373624 213293460 /nfs/dbraw/zinc/29/34/60/213293460.db2.gz JWJKYOSBRBUZDJ-UHFFFAOYSA-N 0 0 337.473 5.149 10 0 EKAERN CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ccccc3F)o2)cc1 ZINC000040374715 213293388 /nfs/dbraw/zinc/29/33/88/213293388.db2.gz LZXUYRUYYOMDGY-UHFFFAOYSA-N 0 0 337.394 5.636 10 0 EKAERN Cc1c(Cl)cn2cc(-c3ccc(Cl)cc3Cl)nc2c1Cl ZINC000040383851 213294613 /nfs/dbraw/zinc/29/46/13/213294613.db2.gz NDXXFHSLWQIPTL-UHFFFAOYSA-N 0 0 346.044 5.923 10 0 EKAERN Cc1c(Cl)cn2cc(-c3ccc(Cl)c(Cl)c3)nc2c1Cl ZINC000040383854 213294907 /nfs/dbraw/zinc/29/49/07/213294907.db2.gz JSHAFGKTRUYAIN-UHFFFAOYSA-N 0 0 346.044 5.923 10 0 EKAERN Cc1cc2nc(-c3ccc(C(C)C)cc3)cn2cc1Br ZINC000040383958 213294597 /nfs/dbraw/zinc/29/45/97/213294597.db2.gz WEAIYEUXGROUFR-UHFFFAOYSA-N 0 0 329.241 5.196 10 0 EKAERN COCCCn1c(CSc2ccc(Cl)cc2)nc2ccccc21 ZINC000040389431 213296260 /nfs/dbraw/zinc/29/62/60/213296260.db2.gz CNXFZNCTUNBWOZ-UHFFFAOYSA-N 0 0 346.883 5.019 10 0 EKAERN CCOCCCn1c(Cc2cccc3ccccc32)nc2ccccc21 ZINC000040389488 213296797 /nfs/dbraw/zinc/29/67/97/213296797.db2.gz ZGHQBMCTYOOHRF-UHFFFAOYSA-N 0 0 344.458 5.207 10 0 EKAERN CCOCCn1c(CSc2ccc(Cl)cc2)nc2ccccc21 ZINC000040389708 213296173 /nfs/dbraw/zinc/29/61/73/213296173.db2.gz FFDOUJQGSNALDA-UHFFFAOYSA-N 0 0 346.883 5.019 10 0 EKAERN c1coc(Cn2c(Cc3cccc4ccccc43)nc3ccccc32)c1 ZINC000040390284 213296959 /nfs/dbraw/zinc/29/69/59/213296959.db2.gz DYUMRLNNGOUVKO-UHFFFAOYSA-N 0 0 338.410 5.422 10 0 EKAERN Cc1cc(Br)ccc1Nc1cc(C)c2ccccc2n1 ZINC000040400812 213297686 /nfs/dbraw/zinc/29/76/86/213297686.db2.gz VFKHYEFHJZIFLX-UHFFFAOYSA-N 0 0 327.225 5.358 10 0 EKAERN Cc1cc(Nc2cc(C(F)(F)F)ccc2Cl)nc2ccccc12 ZINC000040400822 213297611 /nfs/dbraw/zinc/29/76/11/213297611.db2.gz UJMHXFUPOODFOE-UHFFFAOYSA-N 0 0 336.744 5.959 10 0 EKAERN Cc1cc(Nc2ccc(Cl)c(C(F)(F)F)c2)nc2ccccc12 ZINC000040400824 213297851 /nfs/dbraw/zinc/29/78/51/213297851.db2.gz RPTPEONEFMVIGE-UHFFFAOYSA-N 0 0 336.744 5.959 10 0 EKAERN COCCCn1c2ccc(C(F)(F)F)cc2nc1C1CCCCC1 ZINC000040402623 213299381 /nfs/dbraw/zinc/29/93/81/213299381.db2.gz FKALILDJFXBIEX-UHFFFAOYSA-N 0 0 340.389 5.139 10 0 EKAERN COCCCn1c2ccc(C(F)(F)F)cc2nc1-c1ccccc1C ZINC000040402682 213298734 /nfs/dbraw/zinc/29/87/34/213298734.db2.gz ONHNANILINATLY-UHFFFAOYSA-N 0 0 348.368 5.067 10 0 EKAERN COCCCn1c2ccc(C(F)(F)F)cc2nc1-c1ccc(C)cc1 ZINC000040402688 213298883 /nfs/dbraw/zinc/29/88/83/213298883.db2.gz FRDCMZKDRNBHFG-UHFFFAOYSA-N 0 0 348.368 5.067 10 0 EKAERN COCCCn1c2ccc(C(F)(F)F)cc2nc1-c1cccc(C)c1 ZINC000040402691 213298611 /nfs/dbraw/zinc/29/86/11/213298611.db2.gz HCNCEORJALSSGB-UHFFFAOYSA-N 0 0 348.368 5.067 10 0 EKAERN CCOCCCn1c2ccc(C(F)(F)F)cc2nc1-c1ccccc1 ZINC000040403136 213299402 /nfs/dbraw/zinc/29/94/02/213299402.db2.gz WKMHOBWVPZVPOF-UHFFFAOYSA-N 0 0 348.368 5.149 10 0 EKAERN CCOCCCn1c2cc(Cl)ccc2nc1-c1ccccc1C ZINC000040403305 213299385 /nfs/dbraw/zinc/29/93/85/213299385.db2.gz RLZGYLOGTDOLDQ-UHFFFAOYSA-N 0 0 328.843 5.092 10 0 EKAERN CCOCCCn1c2ccc(Cl)cc2nc1-c1cccc(C)c1 ZINC000040403311 213298867 /nfs/dbraw/zinc/29/88/67/213298867.db2.gz PGBQNOHZECZTAU-UHFFFAOYSA-N 0 0 328.843 5.092 10 0 EKAERN CCOCCCn1c2cc(Cl)ccc2nc1-c1cccc(C)c1 ZINC000040403314 213298483 /nfs/dbraw/zinc/29/84/83/213298483.db2.gz JCNJIPPZERFTIR-UHFFFAOYSA-N 0 0 328.843 5.092 10 0 EKAERN CCOCCCn1c2cc(Cl)ccc2nc1-c1ccc(C)cc1 ZINC000040403317 213298705 /nfs/dbraw/zinc/29/87/05/213298705.db2.gz VFKCFSVSMQDFMU-UHFFFAOYSA-N 0 0 328.843 5.092 10 0 EKAERN CCOCCCn1c2ccc(Cl)cc2nc1-c1ccc(C)cc1 ZINC000040403320 213298805 /nfs/dbraw/zinc/29/88/05/213298805.db2.gz LHUHKZOUZHYMDJ-UHFFFAOYSA-N 0 0 328.843 5.092 10 0 EKAERN CCOCCn1c2ccc(C(F)(F)F)cc2nc1C1CCCCC1 ZINC000040404928 213299280 /nfs/dbraw/zinc/29/92/80/213299280.db2.gz BSWSAZZISGJGSW-UHFFFAOYSA-N 0 0 340.389 5.139 10 0 EKAERN CCOCCn1c2ccc(C(F)(F)F)cc2nc1-c1ccccc1C ZINC000040404985 213298457 /nfs/dbraw/zinc/29/84/57/213298457.db2.gz IXSWMYVLKNURJD-UHFFFAOYSA-N 0 0 348.368 5.067 10 0 EKAERN CCOCCn1c2ccc(C(F)(F)F)cc2nc1-c1cccc(C)c1 ZINC000040404994 213299245 /nfs/dbraw/zinc/29/92/45/213299245.db2.gz XQGILBFKHFGSIW-UHFFFAOYSA-N 0 0 348.368 5.067 10 0 EKAERN FC(F)(F)c1ccc2c(c1)nc(C1CCCCC1)n2Cc1ccco1 ZINC000040409623 213299891 /nfs/dbraw/zinc/29/98/91/213299891.db2.gz XBBLDUYHBGWFGC-UHFFFAOYSA-N 0 0 348.368 5.744 10 0 EKAERN FC(F)(F)c1ccc2c(c1)nc(-c1cccs1)n2Cc1ccco1 ZINC000040409694 213299903 /nfs/dbraw/zinc/29/99/03/213299903.db2.gz YYYUETMSAJAGRL-UHFFFAOYSA-N 0 0 348.349 5.425 10 0 EKAERN FC(F)(F)c1ccc2c(c1)nc(-c1ccccc1)n2Cc1ccco1 ZINC000040409698 213299946 /nfs/dbraw/zinc/29/99/46/213299946.db2.gz IUXBUWAFQHSCEK-UHFFFAOYSA-N 0 0 342.320 5.363 10 0 EKAERN Cn1c2ccc(C(F)(F)F)cc2nc1Cc1cccc2ccccc21 ZINC000040410262 213299671 /nfs/dbraw/zinc/29/96/71/213299671.db2.gz FQTSTPBVKMNPOK-UHFFFAOYSA-N 0 0 340.348 5.336 10 0 EKAERN Cn1c(COc2ccc(Cl)cc2Cl)nc2cc(Cl)ccc21 ZINC000040417072 213301452 /nfs/dbraw/zinc/30/14/52/213301452.db2.gz QMCUTFYQLNNBNQ-UHFFFAOYSA-N 0 0 341.625 5.113 10 0 EKAERN CCn1c(COc2cccc(C)c2C)nc2cc(C(F)(F)F)ccc21 ZINC000040417127 213301157 /nfs/dbraw/zinc/30/11/57/213301157.db2.gz LBIXJSOTTKQMCU-UHFFFAOYSA-N 0 0 348.368 5.271 10 0 EKAERN CCn1c(COc2ccc(C)cc2C)nc2cc(C(F)(F)F)ccc21 ZINC000040417128 213301693 /nfs/dbraw/zinc/30/16/93/213301693.db2.gz MAYCGTJKGAMARB-UHFFFAOYSA-N 0 0 348.368 5.271 10 0 EKAERN CCn1c2ccc(C(F)(F)F)cc2nc1Cc1ccc(Cl)cc1 ZINC000040417147 213301238 /nfs/dbraw/zinc/30/12/38/213301238.db2.gz NNGPBKKRYHPODR-UHFFFAOYSA-N 0 0 338.760 5.319 10 0 EKAERN CCn1c(CSc2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000040417221 213301485 /nfs/dbraw/zinc/30/14/85/213301485.db2.gz UFSWLTORRDAMTC-UHFFFAOYSA-N 0 0 337.275 5.655 10 0 EKAERN CCn1c(CSc2ccc(Cl)cc2)nc2ccc(Cl)cc21 ZINC000040417222 213301423 /nfs/dbraw/zinc/30/14/23/213301423.db2.gz RTXTUPXCJDHCDK-UHFFFAOYSA-N 0 0 337.275 5.655 10 0 EKAERN CCn1c(COc2ccc3ccccc3c2)nc2ccc(Cl)cc21 ZINC000040417239 213301947 /nfs/dbraw/zinc/30/19/47/213301947.db2.gz YBYCFTSWQAVYGD-UHFFFAOYSA-N 0 0 336.822 5.442 10 0 EKAERN CCn1c(COc2ccc3ccccc3c2)nc2cc(Cl)ccc21 ZINC000040417240 213301661 /nfs/dbraw/zinc/30/16/61/213301661.db2.gz UHWIQJUESNFUFK-UHFFFAOYSA-N 0 0 336.822 5.442 10 0 EKAERN CCn1c(COc2cccc3ccccc32)nc2cc(Cl)ccc21 ZINC000040417241 213301726 /nfs/dbraw/zinc/30/17/26/213301726.db2.gz XCSPHDWLJGTOJX-UHFFFAOYSA-N 0 0 336.822 5.442 10 0 EKAERN CCn1c(COc2cccc3ccccc32)nc2ccc(Cl)cc21 ZINC000040417242 213301315 /nfs/dbraw/zinc/30/13/15/213301315.db2.gz PQNCNFNCYRFLJO-UHFFFAOYSA-N 0 0 336.822 5.442 10 0 EKAERN CC(C)n1c(COc2ccccc2)nc2cc(C(F)(F)F)ccc21 ZINC000040417287 202438757 /nfs/dbraw/zinc/43/87/57/202438757.db2.gz AARJQPSZNGFIIS-UHFFFAOYSA-N 0 0 334.341 5.215 10 0 EKAERN Cc1ccccc1OCc1nc2cc(C(F)(F)F)ccc2n1C(C)C ZINC000040417288 213301334 /nfs/dbraw/zinc/30/13/34/213301334.db2.gz RNZXCVJEUPCDKV-UHFFFAOYSA-N 0 0 348.368 5.523 10 0 EKAERN Cc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C(C)C)c(C)c1 ZINC000040417316 213301368 /nfs/dbraw/zinc/30/13/68/213301368.db2.gz RDYYWDOHBKMSDY-UHFFFAOYSA-N 0 0 332.369 5.920 10 0 EKAERN CC(C)n1c2ccc(Cl)cc2nc1Cc1cccc2ccccc21 ZINC000040417365 213301328 /nfs/dbraw/zinc/30/13/28/213301328.db2.gz IEYPNDAMLMDNJJ-UHFFFAOYSA-N 0 0 334.850 6.015 10 0 EKAERN CC(C)n1c(COc2ccc(Cl)cc2)nc2ccc(Cl)cc21 ZINC000040417387 213301748 /nfs/dbraw/zinc/30/17/48/213301748.db2.gz YSMNJDAVZBMSMW-UHFFFAOYSA-N 0 0 335.234 5.503 10 0 EKAERN CC(C)n1c(COc2ccc(Cl)cc2)nc2cc(Cl)ccc21 ZINC000040417388 213301181 /nfs/dbraw/zinc/30/11/81/213301181.db2.gz OANYXSZJPIDBNI-UHFFFAOYSA-N 0 0 335.234 5.503 10 0 EKAERN Cc1ccc(OCc2nc3cc(Cl)ccc3n2C(C)C)c(C)c1 ZINC000040417401 213301946 /nfs/dbraw/zinc/30/19/46/213301946.db2.gz CQXNYBNRVFJLPJ-UHFFFAOYSA-N 0 0 328.843 5.466 10 0 EKAERN Cc1ccc(OCc2nc3ccc(Cl)cc3n2C(C)C)c(C)c1 ZINC000040417402 213301885 /nfs/dbraw/zinc/30/18/85/213301885.db2.gz CQGJADHKVWAFIQ-UHFFFAOYSA-N 0 0 328.843 5.466 10 0 EKAERN CCCn1c(COc2ccccc2C)nc2cc(C(F)(F)F)ccc21 ZINC000040417448 213301271 /nfs/dbraw/zinc/30/12/71/213301271.db2.gz DDARNPOZGORUTD-UHFFFAOYSA-N 0 0 348.368 5.353 10 0 EKAERN CCCn1c2ccc(C(F)(F)F)cc2nc1-c1ccc(C)cc1C ZINC000040417476 213301466 /nfs/dbraw/zinc/30/14/66/213301466.db2.gz WZACLKYAHRLWDP-UHFFFAOYSA-N 0 0 332.369 5.749 10 0 EKAERN CCCn1c2ccc(Cl)cc2nc1Cc1cccc2ccccc21 ZINC000040417525 213301050 /nfs/dbraw/zinc/30/10/50/213301050.db2.gz PRCXMYIJBQKNPW-UHFFFAOYSA-N 0 0 334.850 5.844 10 0 EKAERN CCCn1c2cc(Cl)ccc2nc1Cc1cccc2ccccc21 ZINC000040417526 213302009 /nfs/dbraw/zinc/30/20/09/213302009.db2.gz DYFMVGYQMUFURX-UHFFFAOYSA-N 0 0 334.850 5.844 10 0 EKAERN CCCn1c(COc2ccc(Cl)cc2)nc2ccc(Cl)cc21 ZINC000040417546 213301805 /nfs/dbraw/zinc/30/18/05/213301805.db2.gz ULTALZGKARPIFL-UHFFFAOYSA-N 0 0 335.234 5.332 10 0 EKAERN CCCn1c(COc2cccc(C)c2C)nc2cc(Cl)ccc21 ZINC000040417558 213301597 /nfs/dbraw/zinc/30/15/97/213301597.db2.gz ODWUFQHHJSRBAQ-UHFFFAOYSA-N 0 0 328.843 5.296 10 0 EKAERN CCCn1c(COc2ccc(C)cc2C)nc2cc(Cl)ccc21 ZINC000040417560 213301283 /nfs/dbraw/zinc/30/12/83/213301283.db2.gz JISMWXSJTHGRDW-UHFFFAOYSA-N 0 0 328.843 5.296 10 0 EKAERN Cc1ccccc1-c1nc2cc(C(F)(F)F)ccc2n1CC(C)C ZINC000040417632 213301506 /nfs/dbraw/zinc/30/15/06/213301506.db2.gz NXPGCXNMJHVBOI-UHFFFAOYSA-N 0 0 332.369 5.687 10 0 EKAERN Cc1ccc(-c2nc3cc(C(F)(F)F)ccc3n2CC(C)C)cc1 ZINC000040417634 213301812 /nfs/dbraw/zinc/30/18/12/213301812.db2.gz QUNABCGYYDNLOQ-UHFFFAOYSA-N 0 0 332.369 5.687 10 0 EKAERN CC(C)Cn1c2ccc(Cl)cc2nc1Cc1ccc(Cl)cc1 ZINC000040417678 213301426 /nfs/dbraw/zinc/30/14/26/213301426.db2.gz WFIDNCQOAVHBOH-UHFFFAOYSA-N 0 0 333.262 5.590 10 0 EKAERN CC(C)Cn1c2cc(Cl)ccc2nc1Cc1ccc(Cl)cc1 ZINC000040417679 213301502 /nfs/dbraw/zinc/30/15/02/213301502.db2.gz YWZLUBOGVPJETL-UHFFFAOYSA-N 0 0 333.262 5.590 10 0 EKAERN CC(C)Cn1c2cc(Cl)ccc2nc1Cc1cccc2ccccc21 ZINC000040417683 213301569 /nfs/dbraw/zinc/30/15/69/213301569.db2.gz PNBVXTGRYROJCD-UHFFFAOYSA-N 0 0 348.877 6.090 10 0 EKAERN CC(C)Cn1c(COc2ccc(Cl)cc2)nc2ccc(Cl)cc21 ZINC000040417704 213301646 /nfs/dbraw/zinc/30/16/46/213301646.db2.gz DSBQPLOQCJMRQR-UHFFFAOYSA-N 0 0 349.261 5.578 10 0 EKAERN Cc1ccccc1OCc1nc2ccc(Cl)cc2n1CC(C)C ZINC000040417711 213301634 /nfs/dbraw/zinc/30/16/34/213301634.db2.gz OFRQQARPSAJHOR-UHFFFAOYSA-N 0 0 328.843 5.233 10 0 EKAERN Cc1cccc(OCc2nc3ccc(Cl)cc3n2CC(C)C)c1 ZINC000040417712 213301911 /nfs/dbraw/zinc/30/19/11/213301911.db2.gz FXOXPGJQAVORSD-UHFFFAOYSA-N 0 0 328.843 5.233 10 0 EKAERN Cc1ccc(OCc2nc3cc(Cl)ccc3n2CC(C)C)cc1 ZINC000040417714 213301704 /nfs/dbraw/zinc/30/17/04/213301704.db2.gz RHLAJUOJHMFZTL-UHFFFAOYSA-N 0 0 328.843 5.233 10 0 EKAERN Cc1ccc(OCc2nc3ccc(Cl)cc3n2CC(C)C)cc1 ZINC000040417715 213301797 /nfs/dbraw/zinc/30/17/97/213301797.db2.gz BDUAXEBDSVVPGV-UHFFFAOYSA-N 0 0 328.843 5.233 10 0 EKAERN Cc1cccc(OCc2nc3cc(Cl)ccc3n2CC(C)C)c1C ZINC000040417716 213301809 /nfs/dbraw/zinc/30/18/09/213301809.db2.gz NKVFMAJQUOLCOX-UHFFFAOYSA-N 0 0 342.870 5.542 10 0 EKAERN Cc1cccc(OCc2nc3ccc(Cl)cc3n2CC(C)C)c1C ZINC000040417717 213301591 /nfs/dbraw/zinc/30/15/91/213301591.db2.gz ZADXTLIFNCXXNC-UHFFFAOYSA-N 0 0 342.870 5.542 10 0 EKAERN Cc1ccc(OCc2nc3ccc(Cl)cc3n2CC(C)C)c(C)c1 ZINC000040417719 213301669 /nfs/dbraw/zinc/30/16/69/213301669.db2.gz HEZZNEAWLCVMQA-UHFFFAOYSA-N 0 0 342.870 5.542 10 0 EKAERN CC(C)(C)c1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC000040417776 213301882 /nfs/dbraw/zinc/30/18/82/213301882.db2.gz GSRDTJUIJXRPKX-UHFFFAOYSA-N 0 0 332.369 5.401 10 0 EKAERN FC(F)(F)c1ccc2c(c1)nc(-c1ccco1)n2Cc1ccccc1 ZINC000040417792 213302014 /nfs/dbraw/zinc/30/20/14/213302014.db2.gz AQJQFYDXIDJLEU-UHFFFAOYSA-N 0 0 342.320 5.363 10 0 EKAERN Clc1ccc2nc(Cc3ccccc3)n(Cc3ccccc3)c2c1 ZINC000040417836 213301083 /nfs/dbraw/zinc/30/10/83/213301083.db2.gz PRNYOMGBPZZZTI-UHFFFAOYSA-N 0 0 332.834 5.329 10 0 EKAERN Clc1ccc2c(c1)nc(Cc1ccccc1)n2Cc1ccccc1 ZINC000040417837 213301775 /nfs/dbraw/zinc/30/17/75/213301775.db2.gz OHMPHGNRGPCZRP-UHFFFAOYSA-N 0 0 332.834 5.329 10 0 EKAERN Cc1ccccc1-c1nc2ccc(Cl)cc2n1Cc1ccccc1 ZINC000040417846 213301558 /nfs/dbraw/zinc/30/15/58/213301558.db2.gz VVRRHRQZSYPYJM-UHFFFAOYSA-N 0 0 332.834 5.713 10 0 EKAERN Cc1ccccc1-c1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000040417847 213301600 /nfs/dbraw/zinc/30/16/00/213301600.db2.gz AFSDZJQSASZNOO-UHFFFAOYSA-N 0 0 332.834 5.713 10 0 EKAERN Cc1cccc(-c2nc3cc(Cl)ccc3n2Cc2ccccc2)c1 ZINC000040417848 213301942 /nfs/dbraw/zinc/30/19/42/213301942.db2.gz JXPXWWLUQVBZNA-UHFFFAOYSA-N 0 0 332.834 5.713 10 0 EKAERN Cc1cccc(-c2nc3ccc(Cl)cc3n2Cc2ccccc2)c1 ZINC000040417849 202438544 /nfs/dbraw/zinc/43/85/44/202438544.db2.gz IJLBBPRBSMPWQW-UHFFFAOYSA-N 0 0 332.834 5.713 10 0 EKAERN Cc1ccc(-c2nc3ccc(Cl)cc3n2Cc2ccccc2)cc1 ZINC000040417850 213301378 /nfs/dbraw/zinc/30/13/78/213301378.db2.gz BUGZRGBQKUUXSU-UHFFFAOYSA-N 0 0 332.834 5.713 10 0 EKAERN Cc1ccc(-c2nc3cc(Cl)ccc3n2Cc2ccccc2)cc1 ZINC000040417851 213301312 /nfs/dbraw/zinc/30/13/12/213301312.db2.gz IIDGPNQQGYEBLO-UHFFFAOYSA-N 0 0 332.834 5.713 10 0 EKAERN Clc1ccc2nc(COc3ccccc3)n(Cc3ccccc3)c2c1 ZINC000040417866 213301814 /nfs/dbraw/zinc/30/18/14/213301814.db2.gz IACQPSQIVIZOKR-UHFFFAOYSA-N 0 0 348.833 5.317 10 0 EKAERN Clc1ccc2c(c1)nc(COc1ccccc1)n2Cc1ccccc1 ZINC000040417867 213301857 /nfs/dbraw/zinc/30/18/57/213301857.db2.gz IOBOYBVXHXMCBE-UHFFFAOYSA-N 0 0 348.833 5.317 10 0 EKAERN CCCCCCc1ccc2[nH]c3ccc(CCCCCC)cc3c2c1 ZINC000040435266 213304408 /nfs/dbraw/zinc/30/44/08/213304408.db2.gz GQXLKAQWZCTMFE-UHFFFAOYSA-N 0 0 335.535 7.567 10 0 EKAERN Cc1[nH]c2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2c1C ZINC000040564116 213351315 /nfs/dbraw/zinc/35/13/15/213351315.db2.gz HMHVHHHFOFTPBA-UHFFFAOYSA-N 0 0 333.218 5.344 10 0 EKAERN COc1ccccc1Nc1cc(C)nc2cc(C(F)(F)F)ccc21 ZINC000040570832 213352693 /nfs/dbraw/zinc/35/26/93/213352693.db2.gz HRGDTPWFNWUTJF-UHFFFAOYSA-N 0 0 332.325 5.314 10 0 EKAERN Cc1cc(Nc2ccccc2Cl)c2ccc(C(F)(F)F)cc2n1 ZINC000040570860 213352770 /nfs/dbraw/zinc/35/27/70/213352770.db2.gz NZLGOOMORSXUAU-UHFFFAOYSA-N 0 0 336.744 5.959 10 0 EKAERN Cc1cc(N2CCc3ccccc32)c2ccc(C(F)(F)F)cc2n1 ZINC000040570861 213352407 /nfs/dbraw/zinc/35/24/07/213352407.db2.gz UNRIKTMWPYHQJF-UHFFFAOYSA-N 0 0 328.337 5.256 10 0 EKAERN Cc1cc(Nc2ccc(F)cc2F)c2ccc(C(F)(F)F)cc2n1 ZINC000040570871 213352842 /nfs/dbraw/zinc/35/28/42/213352842.db2.gz DRLOJNLWROIZPC-UHFFFAOYSA-N 0 0 338.279 5.584 10 0 EKAERN CCN(c1ccccc1)c1cc(C)nc2cc(C(F)(F)F)ccc21 ZINC000040570880 213352425 /nfs/dbraw/zinc/35/24/25/213352425.db2.gz LSOYMTBZERALOU-UHFFFAOYSA-N 0 0 330.353 5.720 10 0 EKAERN Cc1cc(N2CCCc3ccccc32)c2ccc(C(F)(F)F)cc2n1 ZINC000040570895 132403079 /nfs/dbraw/zinc/40/30/79/132403079.db2.gz GARIMHSLZXERFG-UHFFFAOYSA-N 0 0 342.364 5.646 10 0 EKAERN Cc1cc(C)cc(Nc2cc(C)nc3cc(C(F)(F)F)ccc32)c1 ZINC000040570898 213352243 /nfs/dbraw/zinc/35/22/43/213352243.db2.gz APJCNEUQTUPZBN-UHFFFAOYSA-N 0 0 330.353 5.922 10 0 EKAERN CCOc1ccc(Nc2cc(C)nc3cc(C(F)(F)F)ccc32)cc1 ZINC000040570900 213352440 /nfs/dbraw/zinc/35/24/40/213352440.db2.gz GJYNZIMUZSXPKC-UHFFFAOYSA-N 0 0 346.352 5.704 10 0 EKAERN COc1cccc(Nc2cc(C)nc3cc(C(F)(F)F)ccc32)c1 ZINC000040570902 213352221 /nfs/dbraw/zinc/35/22/21/213352221.db2.gz UGQUNWNNBZDRCP-UHFFFAOYSA-N 0 0 332.325 5.314 10 0 EKAERN CCOc1ccccc1Nc1cc(C)nc2cc(C(F)(F)F)ccc21 ZINC000040570905 213352807 /nfs/dbraw/zinc/35/28/07/213352807.db2.gz WCWVJWCPSBAYPA-UHFFFAOYSA-N 0 0 346.352 5.704 10 0 EKAERN Cc1cc(Nc2ccc(C(C)C)cc2)c2ccc(C(F)(F)F)cc2n1 ZINC000040570912 213352815 /nfs/dbraw/zinc/35/28/15/213352815.db2.gz WAFDDSJPJUZNFI-UHFFFAOYSA-N 0 0 344.380 6.429 10 0 EKAERN CSc1nc(-c2ccccc2)c(-c2ccc(Cl)c(Cl)c2)[nH]1 ZINC000040641468 213364083 /nfs/dbraw/zinc/36/40/83/213364083.db2.gz SJGABECCXVNYOE-UHFFFAOYSA-N 0 0 335.259 5.772 10 0 EKAERN CCN(c1ccccc1)c1ncnc(Nc2ccc(C(C)C)cc2)c1N ZINC000040679446 213368107 /nfs/dbraw/zinc/36/81/07/213368107.db2.gz ZSQDFNGODWJUSU-UHFFFAOYSA-N 0 0 347.466 5.084 10 0 EKAERN CCN(c1ccccc1)c1ncnc(Oc2ccc(C(C)C)cc2)c1N ZINC000040679491 213367983 /nfs/dbraw/zinc/36/79/83/213367983.db2.gz UJWVNSZNJMBZND-UHFFFAOYSA-N 0 0 348.450 5.133 10 0 EKAERN Cc1cc(C)cc(Oc2ncnc(Oc3ccc(C(C)C)cc3)c2N)c1 ZINC000040681314 202458197 /nfs/dbraw/zinc/45/81/97/202458197.db2.gz AZSJIXBKPKBCFZ-UHFFFAOYSA-N 0 0 349.434 5.384 10 0 EKAERN Cc1ccccc1Nc1ncnc(Oc2cccc3ccccc32)c1N ZINC000040683206 213368444 /nfs/dbraw/zinc/36/84/44/213368444.db2.gz MWMDEAXFJXDRAW-UHFFFAOYSA-N 0 0 342.402 5.056 10 0 EKAERN Cc1cccc(Nc2ncnc(Oc3cccc4ccccc43)c2N)c1 ZINC000040683217 213367828 /nfs/dbraw/zinc/36/78/28/213367828.db2.gz YECSVSAVOWPSTB-UHFFFAOYSA-N 0 0 342.402 5.056 10 0 EKAERN Cc1ccc(Nc2ncnc(Oc3cccc4ccccc43)c2N)cc1 ZINC000040683225 213368589 /nfs/dbraw/zinc/36/85/89/213368589.db2.gz SEEINNWJTUPOLB-UHFFFAOYSA-N 0 0 342.402 5.056 10 0 EKAERN Nc1c(Oc2cccc3ccccc32)ncnc1Sc1ccccc1 ZINC000040683254 213367537 /nfs/dbraw/zinc/36/75/37/213367537.db2.gz NQACLNZATWUCNX-UHFFFAOYSA-N 0 0 345.427 5.156 10 0 EKAERN Cc1ccc(Oc2ncnc(Oc3cccc4ccccc43)c2N)cc1 ZINC000040683353 213368083 /nfs/dbraw/zinc/36/80/83/213368083.db2.gz JNCOCVSXOHQDGZ-UHFFFAOYSA-N 0 0 343.386 5.105 10 0 EKAERN Nc1c(NC2CCCCCC2)ncnc1Oc1cccc2ccccc21 ZINC000040683440 213369660 /nfs/dbraw/zinc/36/96/60/213369660.db2.gz UPESOTOOLLLTFZ-UHFFFAOYSA-N 0 0 348.450 5.139 10 0 EKAERN Cc1ccccc1Nc1ncnc(Oc2ccc3ccccc3c2)c1N ZINC000040687816 213368783 /nfs/dbraw/zinc/36/87/83/213368783.db2.gz DMIKSCVEZLFOMD-UHFFFAOYSA-N 0 0 342.402 5.056 10 0 EKAERN Cc1cccc(Nc2ncnc(Oc3ccc4ccccc4c3)c2N)c1 ZINC000040687820 213369639 /nfs/dbraw/zinc/36/96/39/213369639.db2.gz KRJIOSJOHLIBGK-UHFFFAOYSA-N 0 0 342.402 5.056 10 0 EKAERN Cc1ccc(Nc2ncnc(Oc3ccc4ccccc4c3)c2N)cc1 ZINC000040687823 213369292 /nfs/dbraw/zinc/36/92/92/213369292.db2.gz PNSNYCSCFIPFBK-UHFFFAOYSA-N 0 0 342.402 5.056 10 0 EKAERN Nc1c(Oc2ccc3ccccc3c2)ncnc1Sc1ccccc1 ZINC000040687834 213369893 /nfs/dbraw/zinc/36/98/93/213369893.db2.gz HKWQFGJDQDOMKQ-UHFFFAOYSA-N 0 0 345.427 5.156 10 0 EKAERN Cc1ccc(Oc2ncnc(Oc3ccc4ccccc4c3)c2N)cc1 ZINC000040687871 213368921 /nfs/dbraw/zinc/36/89/21/213368921.db2.gz LDDACCWBXVIIPZ-UHFFFAOYSA-N 0 0 343.386 5.105 10 0 EKAERN Nc1c(NC2CCCCCC2)ncnc1Oc1ccc2ccccc2c1 ZINC000040687905 213368914 /nfs/dbraw/zinc/36/89/14/213368914.db2.gz MWHXBNFIQHBVOC-UHFFFAOYSA-N 0 0 348.450 5.139 10 0 EKAERN Clc1cc(Cl)c2nc(-c3cccc(Br)c3)cn2c1 ZINC000040715131 213373627 /nfs/dbraw/zinc/37/36/27/213373627.db2.gz DBELGDBTBHHRBF-UHFFFAOYSA-N 0 0 342.023 5.071 10 0 EKAERN Clc1cc(Cl)c2nc(-c3ccc(Cl)c(Cl)c3)cn2c1 ZINC000040715133 213373470 /nfs/dbraw/zinc/37/34/70/213373470.db2.gz CEPJOUHMYQOZGA-UHFFFAOYSA-N 0 0 332.017 5.615 10 0 EKAERN Nc1c(Sc2ccccc2)ncnc1Sc1ccc(Cl)cc1 ZINC000040723048 213376222 /nfs/dbraw/zinc/37/62/22/213376222.db2.gz NEHISVQTQXFTGB-UHFFFAOYSA-N 0 0 345.880 5.015 10 0 EKAERN CC(C)c1ccc(Oc2ncnc(Sc3ccccc3)c2N)cc1 ZINC000040727427 213376060 /nfs/dbraw/zinc/37/60/60/213376060.db2.gz RAPCWBZCDJFVKA-UHFFFAOYSA-N 0 0 337.448 5.126 10 0 EKAERN Cc1ccc(Oc2ncnc(Oc3ccc(C(C)C)cc3)c2N)cc1 ZINC000040727501 213376704 /nfs/dbraw/zinc/37/67/04/213376704.db2.gz BATCVVNGTSVQMC-UHFFFAOYSA-N 0 0 335.407 5.075 10 0 EKAERN Cc1cccc(Nc2ncnc(Nc3cccc4ccccc43)c2N)c1 ZINC000040758877 213382932 /nfs/dbraw/zinc/38/29/32/213382932.db2.gz YXNAPJNUXRERIC-UHFFFAOYSA-N 0 0 341.418 5.008 10 0 EKAERN Cc1ccc(Nc2ncnc(Nc3cccc4ccccc43)c2N)cc1 ZINC000040758883 213383361 /nfs/dbraw/zinc/38/33/61/213383361.db2.gz WYGPFOSYURHLPR-UHFFFAOYSA-N 0 0 341.418 5.008 10 0 EKAERN Nc1c(Nc2cccc3ccccc32)ncnc1NC1CCCCCC1 ZINC000040759048 213383523 /nfs/dbraw/zinc/38/35/23/213383523.db2.gz DJRKQTANBDJEHI-UHFFFAOYSA-N 0 0 347.466 5.090 10 0 EKAERN Clc1ccc(COc2ccccc2-c2nc3ccccc3[nH]2)cc1 ZINC000040762909 202463486 /nfs/dbraw/zinc/46/34/86/202463486.db2.gz IMIHWLRZUFAWTB-UHFFFAOYSA-N 0 0 334.806 5.462 10 0 EKAERN Cc1ccc(C)c(OCC(=O)NC2CCCCCCCCCCC2)c1 ZINC000040844788 213392653 /nfs/dbraw/zinc/39/26/53/213392653.db2.gz NFWGACUWLJYSHI-UHFFFAOYSA-N 0 0 345.527 5.472 10 0 EKAERN Cc1ccc(-c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000040852578 213393453 /nfs/dbraw/zinc/39/34/53/213393453.db2.gz VIFXTIJQWFWJNG-UHFFFAOYSA-N 0 0 344.454 6.179 10 0 EKAERN Cc1ccc(-c2ccc(OC(=O)/C=C/c3ccc(F)cc3)cc2)cc1 ZINC000040865335 213394280 /nfs/dbraw/zinc/39/42/80/213394280.db2.gz RJXLBDFSLMWSKD-GIDUJCDVSA-N 0 0 332.374 5.420 10 0 EKAERN Cc1ccc(C)c(OCCCC(=O)Nc2c(C)cc(C)cc2Cl)c1 ZINC000040865550 213395373 /nfs/dbraw/zinc/39/53/73/213395373.db2.gz CTVVVKAMWALVSJ-UHFFFAOYSA-N 0 0 345.870 5.371 10 0 EKAERN CC(C)c1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000040866314 213394372 /nfs/dbraw/zinc/39/43/72/213394372.db2.gz WFMFBCPJYZSNQD-UHFFFAOYSA-N 0 0 338.234 5.134 10 0 EKAERN O=C(/C=C/c1ccc(Cl)c(Cl)c1)Oc1ccccc1Cl ZINC000040868221 213396237 /nfs/dbraw/zinc/39/62/37/213396237.db2.gz MWMZZIHCQNRQTF-SOFGYWHQSA-N 0 0 327.594 5.266 10 0 EKAERN Cc1cc(OC(=O)/C=C/c2ccc(Cl)c(Cl)c2)ccc1Cl ZINC000040868224 213396373 /nfs/dbraw/zinc/39/63/73/213396373.db2.gz NGIZUXJRUTXXCP-XVNBXDOJSA-N 0 0 341.621 5.574 10 0 EKAERN Cc1ccc(/C=C/C(=O)NC2CCCCCCCCCCC2)cc1 ZINC000040868365 213395587 /nfs/dbraw/zinc/39/55/87/213395587.db2.gz YOELGIRKAFNERZ-ISLYRVAYSA-N 0 0 327.512 5.798 10 0 EKAERN Cc1ccc(/C=C/C(=O)Oc2ccc(-c3ccc(C)cc3)cc2)cc1 ZINC000040868402 213395779 /nfs/dbraw/zinc/39/57/79/213395779.db2.gz AYVANBSXSXDWCH-CXUHLZMHSA-N 0 0 328.411 5.589 10 0 EKAERN CC(C)c1ccc(OC(=O)/C=C/c2c(Cl)cccc2Cl)cc1 ZINC000040869136 213396490 /nfs/dbraw/zinc/39/64/90/213396490.db2.gz LTAVEHZFVRQTIK-ZHACJKMWSA-N 0 0 335.230 5.736 10 0 EKAERN Cc1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)c(C(C)(C)C)c1 ZINC000040883419 202466974 /nfs/dbraw/zinc/46/69/74/202466974.db2.gz WDCFZDUVSMVMAY-UHFFFAOYSA-N 0 0 337.246 5.819 10 0 EKAERN Cc1ccc(OC(=O)/C=C/c2ccc(Cl)cc2)c(C(C)(C)C)c1 ZINC000040883603 213397156 /nfs/dbraw/zinc/39/71/56/213397156.db2.gz BIACICIRSJCBHC-XYOKQWHBSA-N 0 0 328.839 5.565 10 0 EKAERN CC(C)(C)c1ccccc1OC(=O)c1ccc(-c2ccccc2)cc1 ZINC000040884053 213396808 /nfs/dbraw/zinc/39/68/08/213396808.db2.gz STHOEHLLJLVJLH-UHFFFAOYSA-N 0 0 330.427 5.870 10 0 EKAERN Cc1ccc(OC(=O)c2ccc(Br)cc2)c(C(C)(C)C)c1 ZINC000040890207 213397622 /nfs/dbraw/zinc/39/76/22/213397622.db2.gz KMMZJKCSCMNSLO-UHFFFAOYSA-N 0 0 347.252 5.274 10 0 EKAERN COc1ccccc1/C=C/C(=O)NC1CCCCCCCCCCC1 ZINC000040890641 213397534 /nfs/dbraw/zinc/39/75/34/213397534.db2.gz FLXJEJPNZXUZBN-ISLYRVAYSA-N 0 0 343.511 5.498 10 0 EKAERN CC(C)c1cccc(C(C)C)c1NC(=S)NC(=O)c1cccs1 ZINC000040898420 213398399 /nfs/dbraw/zinc/39/83/99/213398399.db2.gz IARRZOYJSWQLBV-UHFFFAOYSA-N 0 0 346.521 5.122 10 0 EKAERN Cc1ccc(-c2ccc(OC(=O)c3cc4ccccc4o3)cc2)cc1 ZINC000040902373 213399382 /nfs/dbraw/zinc/39/93/82/213399382.db2.gz XDSKQWWRLJDOPO-UHFFFAOYSA-N 0 0 328.367 5.627 10 0 EKAERN O=C(Oc1ccc(OCc2ccccc2)cc1)c1cc2ccccc2o1 ZINC000040902377 213399911 /nfs/dbraw/zinc/39/99/11/213399911.db2.gz VHMIMABUDDGUHO-UHFFFAOYSA-N 0 0 344.366 5.231 10 0 EKAERN Cc1cc(Br)cc(C)c1OC(=O)c1cc2ccccc2o1 ZINC000040902379 213399504 /nfs/dbraw/zinc/39/95/04/213399504.db2.gz CWMOMOWUXKHRMB-UHFFFAOYSA-N 0 0 345.192 5.031 10 0 EKAERN Cc1ccccc1NC(=O)CCCOc1cc(C)c(Cl)c(C)c1 ZINC000040912573 213399834 /nfs/dbraw/zinc/39/98/34/213399834.db2.gz WIIHYRVSGZZMBD-UHFFFAOYSA-N 0 0 331.843 5.063 10 0 EKAERN Cc1ccc(NC(=O)CCCOc2cc(C)c(Cl)c(C)c2)c(C)c1 ZINC000040912574 213399869 /nfs/dbraw/zinc/39/98/69/213399869.db2.gz MKKOQEYHWRZJLR-UHFFFAOYSA-N 0 0 345.870 5.371 10 0 EKAERN Cc1cccc(C)c1NC(=O)CCCOc1cc(C)c(Cl)c(C)c1 ZINC000040912576 213399958 /nfs/dbraw/zinc/39/99/58/213399958.db2.gz UHCWPSJHILCNAL-UHFFFAOYSA-N 0 0 345.870 5.371 10 0 EKAERN Cc1ccc(NC(=O)CCCOc2cc(C)c(Cl)c(C)c2)cc1C ZINC000040912577 213399899 /nfs/dbraw/zinc/39/98/99/213399899.db2.gz XWSYXQPDRZSYCN-UHFFFAOYSA-N 0 0 345.870 5.371 10 0 EKAERN CCCc1ccc(OCCCC(=O)Nc2c(C)cccc2CC)cc1 ZINC000040912841 202468199 /nfs/dbraw/zinc/46/81/99/202468199.db2.gz VYQIHNOCVGXUJB-UHFFFAOYSA-N 0 0 339.479 5.308 10 0 EKAERN CC(=O)c1sc(Nc2ccccc2)c(C(=O)c2ccccc2)c1C ZINC000040914910 213399404 /nfs/dbraw/zinc/39/94/04/213399404.db2.gz NLKFYSZQQMQGLY-UHFFFAOYSA-N 0 0 335.428 5.234 10 0 EKAERN Cc1ccc(SCC(=O)N(C2CCCCC2)C2CCCCC2)cc1 ZINC000040945401 213402134 /nfs/dbraw/zinc/40/21/34/213402134.db2.gz VGGFIXVUQLCMJZ-UHFFFAOYSA-N 0 0 345.552 5.581 10 0 EKAERN CC(C)(C)c1ccc(CSc2nnc(-c3ccccc3)s2)cc1 ZINC000040947884 213402363 /nfs/dbraw/zinc/40/23/63/213402363.db2.gz NVUVEMRTYPXGMP-UHFFFAOYSA-N 0 0 340.517 5.795 10 0 EKAERN Cc1cc(C)c(CSc2nnc(-c3ccccc3)s2)cc1C ZINC000040947901 213402263 /nfs/dbraw/zinc/40/22/63/213402263.db2.gz BJDHUQMVJXSLKF-UHFFFAOYSA-N 0 0 326.490 5.423 10 0 EKAERN Cc1ccc(NC(=O)CCCOc2cc(C)c(Cl)c(C)c2)cc1 ZINC000040948429 213402517 /nfs/dbraw/zinc/40/25/17/213402517.db2.gz QMQHYVKEASEUMF-UHFFFAOYSA-N 0 0 331.843 5.063 10 0 EKAERN CCCCC1CCC(C(=O)NC2CCCCCCCCCCC2)CC1 ZINC000040949082 202468787 /nfs/dbraw/zinc/46/87/87/202468787.db2.gz TXBOHKMNNOVIEP-UHFFFAOYSA-N 0 0 349.603 6.773 10 0 EKAERN CCCCC1CCC(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000040949117 213402734 /nfs/dbraw/zinc/40/27/34/213402734.db2.gz UZSFGIFSOFWNEO-UHFFFAOYSA-N 0 0 328.283 5.929 10 0 EKAERN CC(C)c1ccc(OCCCC(=O)Nc2ccccc2Cl)cc1 ZINC000040949725 213403796 /nfs/dbraw/zinc/40/37/96/213403796.db2.gz XWWSRHGTBKUMQY-UHFFFAOYSA-N 0 0 331.843 5.261 10 0 EKAERN CC(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000040949729 202469059 /nfs/dbraw/zinc/46/90/59/202469059.db2.gz NOMZIHHQRZCXCY-UHFFFAOYSA-N 0 0 331.843 5.261 10 0 EKAERN CCOc1ccccc1/C=C/C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000040950189 213403016 /nfs/dbraw/zinc/40/30/16/213403016.db2.gz OWILHFAYFNTVOZ-JXMROGBWSA-N 0 0 336.218 5.044 10 0 EKAERN CCOc1ccccc1/C=C/C(=O)Nc1ccc(Cl)cc1Cl ZINC000040950193 213403090 /nfs/dbraw/zinc/40/30/90/213403090.db2.gz HDYFMCQNWGLDKI-JXMROGBWSA-N 0 0 336.218 5.044 10 0 EKAERN Cc1c(-c2ccc(Cl)cc2)nc2sc(C3CCCCC3)nn12 ZINC000040963759 213404690 /nfs/dbraw/zinc/40/46/90/213404690.db2.gz JFVVRWBPJWYYCG-UHFFFAOYSA-N 0 0 331.872 5.467 10 0 EKAERN CC(C)Oc1ccc(-c2cn3nc(C4CCCCC4)sc3n2)cc1 ZINC000040963776 213404307 /nfs/dbraw/zinc/40/43/07/213404307.db2.gz WVVLICWDZOCJSR-UHFFFAOYSA-N 0 0 341.480 5.293 10 0 EKAERN COc1ccc2c(c1)sc1nc(-c3ccc(Cl)cc3)c(C)n21 ZINC000040964258 213404978 /nfs/dbraw/zinc/40/49/78/213404978.db2.gz LSXQHVKNIHFKSK-UHFFFAOYSA-N 0 0 328.824 5.186 10 0 EKAERN COc1ccc2c(c1)sc1nc(-c3ccc(Cl)cc3Cl)cn21 ZINC000040964273 213404256 /nfs/dbraw/zinc/40/42/56/213404256.db2.gz QNOZQYMRFVEKTE-UHFFFAOYSA-N 0 0 349.242 5.531 10 0 EKAERN COc1ccc2c(c1)sc1nc(-c3ccc(OC(C)C)cc3)cn21 ZINC000040964293 213404245 /nfs/dbraw/zinc/40/42/45/213404245.db2.gz ONBAVWVNFDTHSQ-UHFFFAOYSA-N 0 0 338.432 5.012 10 0 EKAERN CCOc1ccc2c(c1)sc1nc(-c3ccccc3Cl)cn21 ZINC000040964340 213404369 /nfs/dbraw/zinc/40/43/69/213404369.db2.gz RAVMMUZWXRVZEO-UHFFFAOYSA-N 0 0 328.824 5.268 10 0 EKAERN CCOc1ccc2c(c1)sc1nc(-c3ccccc3OCC)cn21 ZINC000040964365 213404709 /nfs/dbraw/zinc/40/47/09/213404709.db2.gz UHEWQMXXFOUFKZ-UHFFFAOYSA-N 0 0 338.432 5.013 10 0 EKAERN Cc1cccc2sc3nc(-c4cccc(Br)c4)cn3c21 ZINC000040964497 213404233 /nfs/dbraw/zinc/40/42/33/213404233.db2.gz RMMFMOIIHVYPHQ-UHFFFAOYSA-N 0 0 343.249 5.287 10 0 EKAERN COc1cccc2sc3nc(-c4ccc(Cl)c(Cl)c4)cn3c21 ZINC000040964661 202468832 /nfs/dbraw/zinc/46/88/32/202468832.db2.gz BXEJWRBRSOBGMT-UHFFFAOYSA-N 0 0 349.242 5.531 10 0 EKAERN c1c(-c2ccc3c(c2)CCCC3)nc2sc(C3CCCCC3)nn12 ZINC000040964795 213404685 /nfs/dbraw/zinc/40/46/85/213404685.db2.gz AXYUPRJHXORNSM-UHFFFAOYSA-N 0 0 337.492 5.384 10 0 EKAERN CCC(CC)c1nn2cc(-c3ccc4c(c3)CCCC4)nc2s1 ZINC000040964798 202469001 /nfs/dbraw/zinc/46/90/01/202469001.db2.gz UXTRFAHMJASUOF-UHFFFAOYSA-N 0 0 325.481 5.240 10 0 EKAERN CCCCCCc1nn2c(C)c(-c3ccc(C)c(C)c3)nc2s1 ZINC000040964882 213404522 /nfs/dbraw/zinc/40/45/22/213404522.db2.gz MZUFPODCPOCXOT-UHFFFAOYSA-N 0 0 327.497 5.506 10 0 EKAERN CCCCc1ccc2c(c1)sc1nc(-c3ccccc3OC)cn21 ZINC000040964970 213404931 /nfs/dbraw/zinc/40/49/31/213404931.db2.gz SUMOLLXQDIFQHC-UHFFFAOYSA-N 0 0 336.460 5.567 10 0 EKAERN CCCCc1ccc2c(c1)sc1nc(-c3ccc(C)c(C)c3)cn21 ZINC000040964976 202469176 /nfs/dbraw/zinc/46/91/76/202469176.db2.gz WLIXOEKZVGFZKX-UHFFFAOYSA-N 0 0 334.488 6.175 10 0 EKAERN CCCCc1ccc2c(c1)sc1nc(-c3cc(C)ccc3C)cn21 ZINC000040964979 213404781 /nfs/dbraw/zinc/40/47/81/213404781.db2.gz DZSYGCOZOOWQIY-UHFFFAOYSA-N 0 0 334.488 6.175 10 0 EKAERN CCCCc1ccc2c(c1)sc1nc(-c3ccc(C)cc3C)cn21 ZINC000040965000 213404440 /nfs/dbraw/zinc/40/44/40/213404440.db2.gz FEJBOCMEVWCMBY-UHFFFAOYSA-N 0 0 334.488 6.175 10 0 EKAERN CCCCc1ccc2c(c1)sc1nc(-c3ccc(C)c(C)c3)c(C)n21 ZINC000040965003 213404493 /nfs/dbraw/zinc/40/44/93/213404493.db2.gz LOSRKLJVBXHKHK-UHFFFAOYSA-N 0 0 348.515 6.484 10 0 EKAERN CCCSc1nn2cc(-c3ccc(Cl)cc3Cl)nc2s1 ZINC000040965201 564022652 /nfs/dbraw/zinc/02/26/52/564022652.db2.gz POLKATQLOVOUQR-UHFFFAOYSA-N 0 0 344.292 5.267 10 0 EKAERN Cc1cccc2sc(NC(=O)/C=C/c3ccc(C(C)C)cc3)nc21 ZINC000040970189 213404574 /nfs/dbraw/zinc/40/45/74/213404574.db2.gz DKOCOJVFVVJBQO-FMIVXFBMSA-N 0 0 336.460 5.380 10 0 EKAERN Cc1ccc2sc(NC(=O)/C=C/c3ccc(Cl)cc3)nc2c1C ZINC000040970381 213404564 /nfs/dbraw/zinc/40/45/64/213404564.db2.gz GRYHLTMPDGWQCG-UXBLZVDNSA-N 0 0 342.851 5.218 10 0 EKAERN CC(=O)N1c2ccccc2-c2ccccc2[C@@H]1c1c[nH]c2ccccc21 ZINC000040975657 132408264 /nfs/dbraw/zinc/40/82/64/132408264.db2.gz NBOZCYBVKZVEDE-HSZRJFAPSA-N 0 0 338.410 5.291 10 0 EKAERN CCCOc1ccc2c(c1)sc1nc(-c3ccc(F)cc3)c(C)n21 ZINC000040978481 213406150 /nfs/dbraw/zinc/40/61/50/213406150.db2.gz AAJRTOXCEMANDY-UHFFFAOYSA-N 0 0 340.423 5.452 10 0 EKAERN CCCOc1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21 ZINC000040978482 202468705 /nfs/dbraw/zinc/46/87/05/202468705.db2.gz AJOWDSLDZKCBFW-UHFFFAOYSA-N 0 0 326.396 5.144 10 0 EKAERN CCCOc1ccc2c(c1)sc1nc(-c3ccc(Cl)cc3)cn21 ZINC000040978483 213405363 /nfs/dbraw/zinc/40/53/63/213405363.db2.gz XHTDLNKCKXNJMD-UHFFFAOYSA-N 0 0 342.851 5.658 10 0 EKAERN CCCOc1ccc2c(c1)sc1nc(-c3cccc(OC)c3)cn21 ZINC000040978498 213405375 /nfs/dbraw/zinc/40/53/75/213405375.db2.gz LQEZEWZJFHKDOS-UHFFFAOYSA-N 0 0 338.432 5.013 10 0 EKAERN CCCOc1ccc2c(c1)sc1nc(-c3ccc(C)c(C)c3)cn21 ZINC000040978500 202468547 /nfs/dbraw/zinc/46/85/47/202468547.db2.gz YKAFSHOYIOKGNF-UHFFFAOYSA-N 0 0 336.460 5.622 10 0 EKAERN CC(C)(C)c1ccc(CCC(=O)Nc2nc3ccccc3s2)cc1 ZINC000040995630 213406672 /nfs/dbraw/zinc/40/66/72/213406672.db2.gz NQXRMICTXJQCDU-UHFFFAOYSA-N 0 0 338.476 5.165 10 0 EKAERN Clc1ccc(COc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 ZINC000041005195 213407260 /nfs/dbraw/zinc/40/72/60/213407260.db2.gz ZTXKYQKTIGYRMP-UHFFFAOYSA-N 0 0 334.806 5.462 10 0 EKAERN Clc1ccccc1COc1ccccc1-c1nc2ccccc2[nH]1 ZINC000041005203 213407578 /nfs/dbraw/zinc/40/75/78/213407578.db2.gz NLBKLGBGXJDVOS-UHFFFAOYSA-N 0 0 334.806 5.462 10 0 EKAERN Cc1ccc(OC(=O)c2cc3cc(Br)ccc3o2)cc1C ZINC000041007405 213408814 /nfs/dbraw/zinc/40/88/14/213408814.db2.gz FFPZAIJNVHUIPH-UHFFFAOYSA-N 0 0 345.192 5.031 10 0 EKAERN CCCc1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000041007555 202470460 /nfs/dbraw/zinc/47/04/60/202470460.db2.gz BAFTXZCGVRAFJW-UHFFFAOYSA-N 0 0 330.836 5.726 10 0 EKAERN CC(C)(C)c1ccccc1OC(=O)c1sc2ccccc2c1Cl ZINC000041007557 202469854 /nfs/dbraw/zinc/46/98/54/202469854.db2.gz DJMJPXHPGHGGTL-UHFFFAOYSA-N 0 0 344.863 6.071 10 0 EKAERN CCc1ccc(NC(=O)c2sc3ccc(OC)cc3c2Cl)cc1 ZINC000041007650 213408830 /nfs/dbraw/zinc/40/88/30/213408830.db2.gz XKYCKBSONANIMZ-UHFFFAOYSA-N 0 0 345.851 5.378 10 0 EKAERN COc1ccc2sc(C(=O)Oc3cccc(C)c3)c(Cl)c2c1 ZINC000041008005 202469954 /nfs/dbraw/zinc/46/99/54/202469954.db2.gz CUPPUEVDSJGFKF-UHFFFAOYSA-N 0 0 332.808 5.091 10 0 EKAERN COc1ccc2sc(C(=O)Oc3ccc(C)cc3)c(Cl)c2c1 ZINC000041008007 213408869 /nfs/dbraw/zinc/40/88/69/213408869.db2.gz HMYCGPFXDURPLT-UHFFFAOYSA-N 0 0 332.808 5.091 10 0 EKAERN COc1ccc2sc(C(=O)Oc3c(C)cccc3C)c(Cl)c2c1 ZINC000041008011 213407917 /nfs/dbraw/zinc/40/79/17/213407917.db2.gz XHBZXRWKTMSEQU-UHFFFAOYSA-N 0 0 346.835 5.399 10 0 EKAERN Cc1cc2sc(NC(=O)CCc3ccc(Cl)cc3)nc2c(C)c1 ZINC000041018821 213409965 /nfs/dbraw/zinc/40/99/65/213409965.db2.gz HNHSMTWOLFHUMM-UHFFFAOYSA-N 0 0 344.867 5.138 10 0 EKAERN CC(=O)c1ccccc1Nc1ccnc2ccc(C(F)(F)F)cc21 ZINC000041054714 202470103 /nfs/dbraw/zinc/47/01/03/202470103.db2.gz VNJULRAXPFYWFM-UHFFFAOYSA-N 0 0 330.309 5.200 10 0 EKAERN COc1ccc(OC)c(Nc2ccnc3cc(C(F)(F)F)ccc32)c1 ZINC000041054852 213409177 /nfs/dbraw/zinc/40/91/77/213409177.db2.gz BCYGURBSZFJOOX-UHFFFAOYSA-N 0 0 348.324 5.014 10 0 EKAERN Cc1cc(C)c2nccc(NC(=O)/C=C/c3ccc(Cl)cc3)c2c1 ZINC000041057060 213411069 /nfs/dbraw/zinc/41/10/69/213411069.db2.gz OBGFDZDITHZIAU-VMPITWQZSA-N 0 0 336.822 5.157 10 0 EKAERN CCc1ccc(/C=C/C(=O)Nc2ccnc3c(Cl)cccc23)cc1 ZINC000041057548 213411354 /nfs/dbraw/zinc/41/13/54/213411354.db2.gz CUBDUNWDXMBICJ-ZHACJKMWSA-N 0 0 336.822 5.103 10 0 EKAERN CCc1ccc(/C=C/C(=O)Nc2ccnc3cc(Cl)ccc32)cc1 ZINC000041057786 213411145 /nfs/dbraw/zinc/41/11/45/213411145.db2.gz YBECWELXQOQKAG-JXMROGBWSA-N 0 0 336.822 5.103 10 0 EKAERN CC(C)(C)c1ccc(C(=O)Nc2ccnc3cc(Cl)ccc32)cc1 ZINC000041057798 213411901 /nfs/dbraw/zinc/41/19/01/213411901.db2.gz ZEOCFNKXOOADCG-UHFFFAOYSA-N 0 0 338.838 5.438 10 0 EKAERN O=C(/C=C/c1ccccc1Cl)Nc1ccnc2cc(Cl)ccc21 ZINC000041057828 213412022 /nfs/dbraw/zinc/41/20/22/213412022.db2.gz JLIMSPNTXQNFHV-VMPITWQZSA-N 0 0 343.213 5.194 10 0 EKAERN Cc1cccc(C(=O)Nc2ccc3nc(-c4ccccc4F)oc3c2)c1 ZINC000041085994 564173099 /nfs/dbraw/zinc/17/30/99/564173099.db2.gz FEHBDSSSUJJREX-UHFFFAOYSA-N 0 0 346.361 5.195 10 0 EKAERN CCOC(=O)c1ccc(Nc2cc(C)c3cc(C)cc(C)c3n2)cc1 ZINC000041127827 201091294 /nfs/dbraw/zinc/09/12/94/201091294.db2.gz ZRLJNKSXKONLGJ-UHFFFAOYSA-N 0 0 334.419 5.080 10 0 EKAERN Cc1cc(C)c2nc(N[C@@H](C)c3cccc4ccccc43)cc(C)c2c1 ZINC000041127849 213420586 /nfs/dbraw/zinc/42/05/86/213420586.db2.gz SKFQPYWTNJZKNG-SFHVURJKSA-N 0 0 340.470 6.486 10 0 EKAERN CCNc1nc(Nc2cc(Cl)cc(Cl)c2)nc2ccccc21 ZINC000041147439 213425748 /nfs/dbraw/zinc/42/57/48/213425748.db2.gz DDOYPYQSWJZLQK-UHFFFAOYSA-N 0 0 333.222 5.112 10 0 EKAERN COc1ccc(Br)cc1N[C@@H](c1cccs1)C1CC1 ZINC000042331765 204088191 /nfs/dbraw/zinc/08/81/91/204088191.db2.gz RVVGGKXOEPAULR-OAHLLOKOSA-N 0 0 338.270 5.082 10 0 EKAERN COc1ccc(Br)cc1N[C@H](c1cccs1)C1CC1 ZINC000042331766 213494586 /nfs/dbraw/zinc/49/45/86/213494586.db2.gz RVVGGKXOEPAULR-HNNXBMFYSA-N 0 0 338.270 5.082 10 0 EKAERN CCCn1cc(C(=O)c2cccc3ccc(C)cc32)c2ccccc21 ZINC000043022401 213552359 /nfs/dbraw/zinc/55/23/59/213552359.db2.gz ZKOYGSLENBLSRY-UHFFFAOYSA-N 0 0 327.427 5.744 10 0 EKAERN CCCn1cc(C(=O)c2cccc3ccc(CC)cc32)c2ccccc21 ZINC000043120529 203366582 /nfs/dbraw/zinc/36/65/82/203366582.db2.gz KRWLDGSOXOZAQJ-UHFFFAOYSA-N 0 0 341.454 5.998 10 0 EKAERN Nc1cc(Cl)ccc1SCc1cc(Br)cs1 ZINC000043687574 213592952 /nfs/dbraw/zinc/59/29/52/213592952.db2.gz WULRNLRAWJPLIF-UHFFFAOYSA-N 0 0 334.691 5.039 10 0 EKAERN Nc1cccc(Cl)c1SCc1cc(Br)cs1 ZINC000043687612 213592534 /nfs/dbraw/zinc/59/25/34/213592534.db2.gz KPWDZFXKHREXCI-UHFFFAOYSA-N 0 0 334.691 5.039 10 0 EKAERN Nc1ccc(SCc2cc(Br)cs2)c(Cl)c1 ZINC000043687616 202515779 /nfs/dbraw/zinc/51/57/79/202515779.db2.gz GMJLADHFLHUSKY-UHFFFAOYSA-N 0 0 334.691 5.039 10 0 EKAERN CCOC(=O)c1[nH]c2cc(C)ccc2c1Sc1ccc(Cl)cc1 ZINC000045795942 213756257 /nfs/dbraw/zinc/75/62/57/213756257.db2.gz IOUDKWMQHHCMJA-UHFFFAOYSA-N 0 0 345.851 5.458 10 0 EKAERN Cc1ccc(Nc2cc(C)nc3nc(C)ccc32)c(Br)c1 ZINC000047162289 213833069 /nfs/dbraw/zinc/83/30/69/213833069.db2.gz JXBIFRYDMDGNIU-UHFFFAOYSA-N 0 0 342.240 5.061 10 0 EKAERN Cc1ccc2c(Nc3ccc(Oc4ccccc4)cc3)cc(C)nc2n1 ZINC000047162307 202577582 /nfs/dbraw/zinc/57/75/82/202577582.db2.gz HUSCFBYCUYEYFR-UHFFFAOYSA-N 0 0 341.414 5.783 10 0 EKAERN Cc1ccc2c(Nc3ccc(Nc4ccccc4)cc3)cc(C)nc2n1 ZINC000047162332 213833319 /nfs/dbraw/zinc/83/33/19/213833319.db2.gz GAZXNKKGPKVQGT-UHFFFAOYSA-N 0 0 340.430 5.734 10 0 EKAERN CC(=O)Nc1cccc(Nc2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000049048838 213981534 /nfs/dbraw/zinc/98/15/34/213981534.db2.gz VUJDJALQKIPSOG-UHFFFAOYSA-N 0 0 343.839 5.166 10 0 EKAERN CC(C)=CCC/C(C)=C/CCC1=C[C@@H](c2cc(O)ccc2O)OC1=O ZINC000049244633 564032718 /nfs/dbraw/zinc/03/27/18/564032718.db2.gz PXLVYLVZICPHKW-FWAYRLMKSA-N 0 0 342.435 5.095 10 0 EKAERN COc1ccc(N[C@@H](C)c2sccc2Br)cc1C ZINC000049528624 214015691 /nfs/dbraw/zinc/01/56/91/214015691.db2.gz RREVCJWDQOTRRN-JTQLQIEISA-N 0 0 326.259 5.001 10 0 EKAERN COc1ccc(N[C@H](C)c2sccc2Br)cc1C ZINC000049528625 202624725 /nfs/dbraw/zinc/62/47/25/202624725.db2.gz RREVCJWDQOTRRN-SNVBAGLBSA-N 0 0 326.259 5.001 10 0 EKAERN COc1ccc(N[C@@H](C)c2ccc(Br)s2)cc1C ZINC000049528640 214015558 /nfs/dbraw/zinc/01/55/58/214015558.db2.gz IUVGMTOTBUFQNP-JTQLQIEISA-N 0 0 326.259 5.001 10 0 EKAERN CCC[C@H](Nc1ccc(Br)cc1N)c1cccs1 ZINC000049542234 202624955 /nfs/dbraw/zinc/62/49/55/202624955.db2.gz BXZVBXGVHAILMC-ZDUSSCGKSA-N 0 0 325.275 5.046 10 0 EKAERN CCC[C@@H](Nc1ccc(Br)cc1N)c1cccs1 ZINC000049542235 214015367 /nfs/dbraw/zinc/01/53/67/214015367.db2.gz BXZVBXGVHAILMC-CYBMUJFWSA-N 0 0 325.275 5.046 10 0 EKAERN COc1ccc(Br)cc1N[C@@H](C)c1ccc(C)s1 ZINC000049563067 214018740 /nfs/dbraw/zinc/01/87/40/214018740.db2.gz FTDOKYBRCGUCJN-JTQLQIEISA-N 0 0 326.259 5.001 10 0 EKAERN CC[C@H](Nc1cc(Br)ccc1OC)c1cccs1 ZINC000049563082 214018675 /nfs/dbraw/zinc/01/86/75/214018675.db2.gz BVVLYUXNAPZQDS-NSHDSACASA-N 0 0 326.259 5.082 10 0 EKAERN CC[C@@H](Nc1cc(Br)ccc1OC)c1cccs1 ZINC000049563083 214018704 /nfs/dbraw/zinc/01/87/04/214018704.db2.gz BVVLYUXNAPZQDS-LLVKDONJSA-N 0 0 326.259 5.082 10 0 EKAERN COc1ccc(Br)cc1N[C@@H](C)c1ccc(Cl)s1 ZINC000049563138 214019311 /nfs/dbraw/zinc/01/93/11/214019311.db2.gz IMYYQHGENLTLHE-QMMMGPOBSA-N 0 0 346.677 5.346 10 0 EKAERN COc1ccc(Br)cc1N[C@H](C)c1ccc(Cl)s1 ZINC000049563139 214019434 /nfs/dbraw/zinc/01/94/34/214019434.db2.gz IMYYQHGENLTLHE-MRVPVSSYSA-N 0 0 346.677 5.346 10 0 EKAERN O=C(Cc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 ZINC000049588401 214021639 /nfs/dbraw/zinc/02/16/39/214021639.db2.gz STHGYDAVSZZIEO-UHFFFAOYSA-N 0 0 344.035 5.181 10 0 EKAERN O=C(Nc1ccc(F)cc1Cl)Nc1ccccc1C(F)(F)F ZINC000051354227 214090012 /nfs/dbraw/zinc/09/00/12/214090012.db2.gz PLJJZUSDJNWUHP-UHFFFAOYSA-N 0 0 332.684 5.142 10 0 EKAERN Cc1c(F)cccc1NC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000051354564 214089766 /nfs/dbraw/zinc/08/97/66/214089766.db2.gz SARJGSHTHLTOMX-UHFFFAOYSA-N 0 0 346.711 5.450 10 0 EKAERN NC(=S)c1c(Cl)cccc1Oc1ccc(Cl)c(Cl)c1 ZINC000052908520 206171725 /nfs/dbraw/zinc/17/17/25/206171725.db2.gz LXLMUZXDPULTHL-UHFFFAOYSA-N 0 0 332.639 5.073 10 0 EKAERN C[C@H](O)c1ccc(-c2c(Cl)cc(Br)cc2Cl)o1 ZINC000052924775 214154905 /nfs/dbraw/zinc/15/49/05/214154905.db2.gz GWUCOMIUACFQHR-LURJTMIESA-N 0 0 336.012 5.069 10 0 EKAERN C[C@@H](O)c1ccc(-c2c(Cl)cc(Br)cc2Cl)o1 ZINC000052924776 214155109 /nfs/dbraw/zinc/15/51/09/214155109.db2.gz GWUCOMIUACFQHR-ZCFIWIBFSA-N 0 0 336.012 5.069 10 0 EKAERN C[C@H](NCc1ccc(F)c(Cl)c1)c1ccccc1Br ZINC000053149806 214166720 /nfs/dbraw/zinc/16/67/20/214166720.db2.gz GVGFBGWNTRUGKA-JTQLQIEISA-N 0 0 342.639 5.092 10 0 EKAERN CSc1nc2cc(Oc3cccc4ccccc43)c(Cl)cc2[nH]1 ZINC000053276653 214174561 /nfs/dbraw/zinc/17/45/61/214174561.db2.gz BRUDBEAFYXLNQE-UHFFFAOYSA-N 0 0 340.835 5.884 10 0 EKAERN CCOC(=O)c1ccc(Nc2ccnc3c(C)ccc(Cl)c23)cc1 ZINC000053994881 201130698 /nfs/dbraw/zinc/13/06/98/201130698.db2.gz KSOATYHFFNVKMP-UHFFFAOYSA-N 0 0 340.810 5.117 10 0 EKAERN CCOC(=O)c1cccc(Nc2ccnc3c(C)ccc(Cl)c23)c1 ZINC000053994884 214209754 /nfs/dbraw/zinc/20/97/54/214209754.db2.gz YWAVUXXABZMMJW-UHFFFAOYSA-N 0 0 340.810 5.117 10 0 EKAERN Brc1ccc2c(c1)nccc2Nc1cccc2ccccc21 ZINC000054202298 214223764 /nfs/dbraw/zinc/22/37/64/214223764.db2.gz CXVKVSKTNLKDBY-UHFFFAOYSA-N 0 0 349.231 5.894 10 0 EKAERN Clc1ccccc1Nc1ccnc2cc(Br)ccc21 ZINC000054202303 214223743 /nfs/dbraw/zinc/22/37/43/214223743.db2.gz NWOSRGHDYLBFPT-UHFFFAOYSA-N 0 0 333.616 5.394 10 0 EKAERN Cc1cc(C)cc(Nc2ccnc3cc(Br)ccc32)c1 ZINC000054202308 214223533 /nfs/dbraw/zinc/22/35/33/214223533.db2.gz AGIDSSNLKBRTLP-UHFFFAOYSA-N 0 0 327.225 5.358 10 0 EKAERN Fc1ccc(Nc2ccnc3cc(Br)ccc32)c(F)c1 ZINC000054202312 214223250 /nfs/dbraw/zinc/22/32/50/214223250.db2.gz PGIKGZBOCCXLKI-UHFFFAOYSA-N 0 0 335.151 5.019 10 0 EKAERN CCc1ccccc1Nc1ccnc2cc(Br)ccc21 ZINC000054202315 214223889 /nfs/dbraw/zinc/22/38/89/214223889.db2.gz IHGOIBCZABZVJI-UHFFFAOYSA-N 0 0 327.225 5.303 10 0 EKAERN Cc1c(Cl)cccc1Nc1ccnc2cc(Br)ccc21 ZINC000054202318 214223302 /nfs/dbraw/zinc/22/33/02/214223302.db2.gz SWYNXTJWILWGPQ-UHFFFAOYSA-N 0 0 347.643 5.703 10 0 EKAERN Cc1ccc(Nc2ccnc3cc(Br)ccc32)c(C)c1 ZINC000054202320 214222981 /nfs/dbraw/zinc/22/29/81/214222981.db2.gz LOHWURQFWSYXPF-UHFFFAOYSA-N 0 0 327.225 5.358 10 0 EKAERN Fc1cc(F)cc(Nc2ccnc3cc(Br)ccc32)c1 ZINC000054202333 214223240 /nfs/dbraw/zinc/22/32/40/214223240.db2.gz AIWMOLDPHPRQHF-UHFFFAOYSA-N 0 0 335.151 5.019 10 0 EKAERN Clc1ccc(Nc2ccnc3cc(Br)ccc32)cc1 ZINC000054202334 214222950 /nfs/dbraw/zinc/22/29/50/214222950.db2.gz KWJCLWVEABUIFD-UHFFFAOYSA-N 0 0 333.616 5.394 10 0 EKAERN Fc1ccc(F)c(Nc2ccnc3cc(Br)ccc32)c1 ZINC000054202338 214223959 /nfs/dbraw/zinc/22/39/59/214223959.db2.gz HGMNVYNQHHFQMC-UHFFFAOYSA-N 0 0 335.151 5.019 10 0 EKAERN Cc1cc(Br)ccc1Nc1ccnc2c(F)cc(F)cc12 ZINC000054202469 214224960 /nfs/dbraw/zinc/22/49/60/214224960.db2.gz ZXLJGFPVWOBHPF-UHFFFAOYSA-N 0 0 349.178 5.328 10 0 EKAERN Fc1cc(F)c2nccc(Nc3ccccc3Br)c2c1 ZINC000054202485 214224777 /nfs/dbraw/zinc/22/47/77/214224777.db2.gz FLJOCBAWYAHHLY-UHFFFAOYSA-N 0 0 335.151 5.019 10 0 EKAERN CCOc1ccc(Nc2ccnc3c(F)cc(F)cc23)cc1OCC ZINC000054202499 214224471 /nfs/dbraw/zinc/22/44/71/214224471.db2.gz FCOYZAQMUHOILS-UHFFFAOYSA-N 0 0 344.361 5.054 10 0 EKAERN O=C(CCc1cccc(Cl)c1)NC1CCCCCCCCCCC1 ZINC000054624956 214246092 /nfs/dbraw/zinc/24/60/92/214246092.db2.gz WIFDAMUCIDIHHK-UHFFFAOYSA-N 0 0 349.946 6.062 10 0 EKAERN Cc1cc2sc3nc(-c4ccc(Cl)cc4Cl)cn3c2cc1C ZINC000054643889 214247755 /nfs/dbraw/zinc/24/77/55/214247755.db2.gz AHEUDKZOPQVSDS-UHFFFAOYSA-N 0 0 347.270 6.140 10 0 EKAERN Cc1cc2sc3nc(-c4ccc(Cl)c(Cl)c4)cn3c2cc1C ZINC000054643890 214247266 /nfs/dbraw/zinc/24/72/66/214247266.db2.gz SRSHLCJUJSQGOM-UHFFFAOYSA-N 0 0 347.270 6.140 10 0 EKAERN Cc1cc2sc3nc(-c4ccc(OC(C)C)cc4)cn3c2cc1C ZINC000054643906 214247240 /nfs/dbraw/zinc/24/72/40/214247240.db2.gz UJLBMCYAVCTYBU-UHFFFAOYSA-N 0 0 336.460 5.620 10 0 EKAERN Cc1cc2sc3nc(-c4ccc5c(c4)CCCC5)cn3c2cc1C ZINC000054643913 214247672 /nfs/dbraw/zinc/24/76/72/214247672.db2.gz FQUXJNTYKIFKEV-UHFFFAOYSA-N 0 0 332.472 5.712 10 0 EKAERN CCCCc1ccc(NC(=O)c2oc3ccc(CC)cc3c2C)cc1 ZINC000054644731 214247473 /nfs/dbraw/zinc/24/74/73/214247473.db2.gz KZRFSZIRXLNJLP-UHFFFAOYSA-N 0 0 335.447 5.899 10 0 EKAERN CCc1ccc2oc(C(=O)Nc3c(C)cccc3C(C)C)c(C)c2c1 ZINC000054644739 202673635 /nfs/dbraw/zinc/67/36/35/202673635.db2.gz DNYCQQQENTUTRX-UHFFFAOYSA-N 0 0 335.447 5.988 10 0 EKAERN CCc1ccc2oc(C(=O)Nc3c(CC)cccc3CC)c(C)c2c1 ZINC000054644740 214247533 /nfs/dbraw/zinc/24/75/33/214247533.db2.gz ANXFIAYYGBWORK-UHFFFAOYSA-N 0 0 335.447 5.681 10 0 EKAERN CCc1ccc2oc(C(=O)Nc3ccc(OC(C)C)cc3)c(C)c2c1 ZINC000054644752 214247339 /nfs/dbraw/zinc/24/73/39/214247339.db2.gz CCDFECKGVBINJQ-UHFFFAOYSA-N 0 0 337.419 5.343 10 0 EKAERN CCc1ccc2oc(C(=O)Nc3cc(Cl)cc(Cl)c3)c(C)c2c1 ZINC000054644791 214247499 /nfs/dbraw/zinc/24/74/99/214247499.db2.gz XAJYFSPZDSSWST-UHFFFAOYSA-N 0 0 348.229 5.863 10 0 EKAERN CCc1ccc2oc(C(=O)Nc3nc4ccccc4s3)c(C)c2c1 ZINC000054644826 214247378 /nfs/dbraw/zinc/24/73/78/214247378.db2.gz BYBFLOIIPNAPDS-UHFFFAOYSA-N 0 0 336.416 5.166 10 0 EKAERN CCc1ccc2oc(C(=O)Nc3ccc(Cl)cc3C)c(C)c2c1 ZINC000054644880 214247632 /nfs/dbraw/zinc/24/76/32/214247632.db2.gz YAUUREVPXBOCDB-UHFFFAOYSA-N 0 0 327.811 5.518 10 0 EKAERN CCc1ccc2oc(C(=O)Nc3c(C)cc(C)cc3Cl)c(C)c2c1 ZINC000054644884 214247528 /nfs/dbraw/zinc/24/75/28/214247528.db2.gz YXLZVRNCUUPJOG-UHFFFAOYSA-N 0 0 341.838 5.826 10 0 EKAERN c1coc(CN(Cc2ccsc2)Cc2ccc3ccccc3n2)c1 ZINC000055359538 214311835 /nfs/dbraw/zinc/31/18/35/214311835.db2.gz PIYMPONIHMSRJG-UHFFFAOYSA-N 0 0 334.444 5.092 10 0 EKAERN O=C(c1ccccc1F)C(F)(F)Sc1nc2ccccc2s1 ZINC000057354381 526803831 /nfs/dbraw/zinc/80/38/31/526803831.db2.gz XDMZYBSWKDACPF-UHFFFAOYSA-N 0 0 339.363 5.003 10 0 EKAERN Clc1cc2nc(-c3ccc(Br)cc3)[nH]c2cc1Cl ZINC000057797841 214451902 /nfs/dbraw/zinc/45/19/02/214451902.db2.gz FHDGQULSGXADMR-UHFFFAOYSA-N 0 0 342.023 5.299 10 0 EKAERN CCOC(=O)c1[nH]c2c(cc(Cl)cc2Cl)c1-c1ccccc1 ZINC000058823763 214605693 /nfs/dbraw/zinc/60/56/93/214605693.db2.gz JMOGYOSGSNWAOA-UHFFFAOYSA-N 0 0 334.202 5.318 10 0 EKAERN CCOC(=O)c1[nH]c2ccc(CC)cc2c1-c1ccc(Cl)cc1 ZINC000058823781 202773003 /nfs/dbraw/zinc/77/30/03/202773003.db2.gz ZTJDMAYYQPNLMO-UHFFFAOYSA-N 0 0 327.811 5.227 10 0 EKAERN CCOC(=O)c1[nH]c2ccc(OCC)cc2c1-c1ccc(Cl)cc1 ZINC000058823784 564177733 /nfs/dbraw/zinc/17/77/33/564177733.db2.gz FSYAADDAUDYHJP-UHFFFAOYSA-N 0 0 343.810 5.064 10 0 EKAERN CCOC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccc(Cl)cc1 ZINC000058823792 564177713 /nfs/dbraw/zinc/17/77/13/564177713.db2.gz BJSGLYXRWDLLIS-UHFFFAOYSA-N 0 0 334.202 5.318 10 0 EKAERN CCOC(=O)c1[nH]c2c(cc(C)cc2C)c1-c1ccc(Cl)cc1 ZINC000058823809 564177727 /nfs/dbraw/zinc/17/77/27/564177727.db2.gz QYFCDWSRZXQEAD-UHFFFAOYSA-N 0 0 327.811 5.282 10 0 EKAERN CC(C)=CCCC(C)=C=CC(C)(C)[C@H]1OCCN1C1CCCCC1 ZINC000058960947 563947539 /nfs/dbraw/zinc/94/75/39/563947539.db2.gz ITPHLNQTKRLSDZ-OKKPIIHCSA-N 0 0 331.544 5.851 10 0 EKAERN CC(C)=CCCC(C)=C=CC(C)(C)[C@@H]1OCCN1C1CCCCC1 ZINC000058960950 563947453 /nfs/dbraw/zinc/94/74/53/563947453.db2.gz ITPHLNQTKRLSDZ-YNNZGITBSA-N 0 0 331.544 5.851 10 0 EKAERN FC(F)(F)c1ccc(Cl)c(C(F)(F)c2ccc(Cl)cc2)c1 ZINC000059229502 214614614 /nfs/dbraw/zinc/61/46/14/214614614.db2.gz XIMWGQUQAJALKP-UHFFFAOYSA-N 0 0 341.106 6.152 10 0 in-vitro EKAERN CCCCc1ccc(NC(=O)c2cccs2)c(Br)c1 ZINC000064985471 214821503 /nfs/dbraw/zinc/82/15/03/214821503.db2.gz YEZWZWVZYAIGAD-UHFFFAOYSA-N 0 0 338.270 5.106 10 0 EKAERN CCc1ccc(NC(=O)c2c(C)cc(C)cc2C)c(Br)c1 ZINC000065000272 214821976 /nfs/dbraw/zinc/82/19/76/214821976.db2.gz PJXIACDVZDZWTJ-UHFFFAOYSA-N 0 0 346.268 5.189 10 0 EKAERN CCc1ccc(NC(=O)c2cc3ccccc3o2)c(Br)c1 ZINC000065000486 202822851 /nfs/dbraw/zinc/82/28/51/202822851.db2.gz RZLZVVGYXZOVIL-UHFFFAOYSA-N 0 0 344.208 5.010 10 0 EKAERN CCc1ccc(NC(=O)c2ccc(C(C)C)cc2)c(Br)c1 ZINC000065000939 214822100 /nfs/dbraw/zinc/82/21/00/214822100.db2.gz QFSLRIFOHRKKDS-UHFFFAOYSA-N 0 0 346.268 5.387 10 0 EKAERN CC(C)(C)c1ccc2nc(NC(=O)c3ccc(Cl)cc3)sc2c1 ZINC000065003023 202822945 /nfs/dbraw/zinc/82/29/45/202822945.db2.gz WSDZHETXEGRPCP-UHFFFAOYSA-N 0 0 344.867 5.500 10 0 EKAERN CC(C)(C)c1ccc2nc(NC(=O)/C=C/c3ccccc3)sc2c1 ZINC000065003066 202822898 /nfs/dbraw/zinc/82/28/98/202822898.db2.gz BSRGGSDCCZFQRR-FMIVXFBMSA-N 0 0 336.460 5.246 10 0 EKAERN CC(C)c1ccc(/C=C/C(=O)Nc2nc3c(cccc3F)s2)cc1 ZINC000065005001 202822479 /nfs/dbraw/zinc/82/24/79/202822479.db2.gz UJTUPOMJZJJDPW-DHZHZOJOSA-N 0 0 340.423 5.211 10 0 EKAERN Cc1cccc(-c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cn2)c1 ZINC000065030026 564099725 /nfs/dbraw/zinc/09/97/25/564099725.db2.gz IJWXKZVQDGBIAN-UHFFFAOYSA-N 0 0 330.431 5.433 10 0 EKAERN CCOc1ccc(-c2cc(O)cc(OC(F)(F)F)c2)c(Cl)c1 ZINC000065344380 214872247 /nfs/dbraw/zinc/87/22/47/214872247.db2.gz NVQNLOTYVMTUBG-UHFFFAOYSA-N 0 0 332.705 5.010 10 0 EKAERN COc1ccc(-c2cc(O)cc(C(F)(F)F)c2)cc1C(F)(F)F ZINC000065344427 214873314 /nfs/dbraw/zinc/87/33/14/214873314.db2.gz WGBDAVZJKGXOOY-UHFFFAOYSA-N 0 0 336.231 5.105 10 0 EKAERN C[C@@]12C=CC[C@H]1[C@@H]1CCc3cc(OCc4ccccc4)ccc3[C@H]1CC2 ZINC000065734646 214993173 /nfs/dbraw/zinc/99/31/73/214993173.db2.gz VAHVWDBSHRYVAP-NGSHPTGOSA-N 0 0 344.498 6.288 10 0 in-vitro EKAERN Cc1sc(C)c(Cc2ccc(C(F)(F)F)cc2)c1Br ZINC000066055087 215004151 /nfs/dbraw/zinc/00/41/51/215004151.db2.gz RGKPFGBQAHLPQB-UHFFFAOYSA-N 0 0 349.215 5.737 10 0 EKAERN CC(=O)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000066347051 215034466 /nfs/dbraw/zinc/03/44/66/215034466.db2.gz UXWQKWNHXQZIND-MRXNPFEDSA-N 0 0 337.644 5.018 10 0 EKAERN CC(=O)[C@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000066347053 215034549 /nfs/dbraw/zinc/03/45/49/215034549.db2.gz UXWQKWNHXQZIND-INIZCTEOSA-N 0 0 337.644 5.018 10 0 EKAERN COc1ccc2c(Cl)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000066354692 215035312 /nfs/dbraw/zinc/03/53/12/215035312.db2.gz PNVZYJFBBFNRPK-UHFFFAOYSA-N 0 0 332.856 5.452 10 0 EKAERN Cc1[nH]nc(NC(=O)c2ccc(C(C)(C)C)cc2)c1-c1ccc(C)cc1 ZINC000066407666 215037996 /nfs/dbraw/zinc/03/79/96/215037996.db2.gz MILNHAQQYUWRFN-UHFFFAOYSA-N 0 0 347.462 5.243 10 0 EKAERN C[C@@H](Cc1ccccc1)Nc1nc(-c2c[nH]c3ccccc23)cs1 ZINC000066407675 215038037 /nfs/dbraw/zinc/03/80/37/215038037.db2.gz FCPACRTXPVENMJ-AWEZNQCLSA-N 0 0 333.460 5.335 10 0 EKAERN C[C@H](Cc1ccccc1)Nc1nc(-c2c[nH]c3ccccc23)cs1 ZINC000066407676 215037881 /nfs/dbraw/zinc/03/78/81/215037881.db2.gz FCPACRTXPVENMJ-CQSZACIVSA-N 0 0 333.460 5.335 10 0 EKAERN CSc1cccc(NC(=S)Nc2ccccc2C(F)(F)F)c1 ZINC000067219613 215125609 /nfs/dbraw/zinc/12/56/09/215125609.db2.gz SWCVFFRPSMAIJN-UHFFFAOYSA-N 0 0 342.411 5.236 10 0 EKAERN Cc1nc([C@@H](C)NCc2c(C)n(CC(C)C)c3ccccc23)cs1 ZINC000067513955 215156015 /nfs/dbraw/zinc/15/60/15/215156015.db2.gz ANMACBWYXMHNBN-CQSZACIVSA-N 0 0 341.524 5.221 10 0 EKAERN CC(C)(C)OC(=O)Nc1ccc(Oc2ccnc3ccccc32)cc1 ZINC000068592270 215320866 /nfs/dbraw/zinc/32/08/66/215320866.db2.gz MJQSYBLHBFKKQJ-UHFFFAOYSA-N 0 0 336.391 5.374 10 0 EKAERN CC(C)Sc1ccccc1C(=O)N[C@@H](C)c1ccccc1Cl ZINC000069118695 215360137 /nfs/dbraw/zinc/36/01/37/215360137.db2.gz WTKDZCJPSFLLQM-ZDUSSCGKSA-N 0 0 333.884 5.332 10 0 EKAERN CC(C)Sc1ccccc1C(=O)N[C@H](C)c1ccccc1Cl ZINC000069118699 202982113 /nfs/dbraw/zinc/98/21/13/202982113.db2.gz WTKDZCJPSFLLQM-CYBMUJFWSA-N 0 0 333.884 5.332 10 0 EKAERN Cc1ccccc1CSCCOc1ccc(Br)cc1 ZINC000070131713 203072916 /nfs/dbraw/zinc/07/29/16/203072916.db2.gz TYALSRMZWPFKIT-UHFFFAOYSA-N 0 0 337.282 5.070 10 0 EKAERN CC(C)(C)c1ccc(SCc2ccc(Br)cc2)cc1 ZINC000070133091 215676078 /nfs/dbraw/zinc/67/60/78/215676078.db2.gz GSFZYIQUMXFWGY-UHFFFAOYSA-N 0 0 335.310 6.039 10 0 EKAERN Cc1ccc(SCCOc2ccc(Br)cc2)cc1C ZINC000070133098 215676201 /nfs/dbraw/zinc/67/62/01/215676201.db2.gz AVMLWUDODHZPBY-UHFFFAOYSA-N 0 0 337.282 5.237 10 0 EKAERN Cc1ccc(C)c(SCCOc2ccc(Br)cc2)c1 ZINC000070133106 215676186 /nfs/dbraw/zinc/67/61/86/215676186.db2.gz ZUMWBPDKHJBDRZ-UHFFFAOYSA-N 0 0 337.282 5.237 10 0 EKAERN Clc1ccc(Cl)c(SCc2ccccc2Br)c1 ZINC000070133463 203074216 /nfs/dbraw/zinc/07/42/16/203074216.db2.gz QFVMNZYGCWCUEM-UHFFFAOYSA-N 0 0 348.092 6.048 10 0 EKAERN Clc1ccc(Cl)c(SCc2cccc(Br)c2)c1 ZINC000070133465 203073995 /nfs/dbraw/zinc/07/39/95/203073995.db2.gz FNCPHUZNBQJKJI-UHFFFAOYSA-N 0 0 348.092 6.048 10 0 EKAERN Cc1cc(Cl)ccc1OCc1ccc(Br)cc1F ZINC000070133538 203073927 /nfs/dbraw/zinc/07/39/27/203073927.db2.gz PZTZPWPPCBIJLM-UHFFFAOYSA-N 0 0 329.596 5.129 10 0 EKAERN Cc1cc(Cl)cc(C)c1OCc1ccc(Br)cc1 ZINC000070133580 215676261 /nfs/dbraw/zinc/67/62/61/215676261.db2.gz FJYDACYIOZDEBJ-UHFFFAOYSA-N 0 0 325.633 5.298 10 0 EKAERN Cc1cc(Cl)cc(C)c1OCc1ccc(Br)cc1F ZINC000070133586 215676693 /nfs/dbraw/zinc/67/66/93/215676693.db2.gz RBONDPAIUOQNAA-UHFFFAOYSA-N 0 0 343.623 5.437 10 0 EKAERN CCc1cc(OCc2ccc(Br)cc2)ccc1Cl ZINC000070133656 203073818 /nfs/dbraw/zinc/07/38/18/203073818.db2.gz FHKCLLIFRFPDCK-UHFFFAOYSA-N 0 0 325.633 5.244 10 0 EKAERN CC[C@@H](C)c1ccc(NC(=O)c2ccc(Br)s2)cc1 ZINC000070134135 215676329 /nfs/dbraw/zinc/67/63/29/215676329.db2.gz HYUPTOCBUFQSOY-SNVBAGLBSA-N 0 0 338.270 5.276 10 0 EKAERN CC[C@H](C)c1ccc(NC(=O)c2ccc(Br)s2)cc1 ZINC000070134137 215676706 /nfs/dbraw/zinc/67/67/06/215676706.db2.gz HYUPTOCBUFQSOY-JTQLQIEISA-N 0 0 338.270 5.276 10 0 EKAERN CC(C)(C)c1ccc(NC(=O)c2ccc(Br)s2)cc1 ZINC000070134446 215676145 /nfs/dbraw/zinc/67/61/45/215676145.db2.gz IVENTKPAEIRMRN-UHFFFAOYSA-N 0 0 338.270 5.060 10 0 EKAERN CCCCc1ccc(NC(=O)c2ccc(Br)s2)cc1 ZINC000070134689 203074137 /nfs/dbraw/zinc/07/41/37/203074137.db2.gz NWPXJLUQTLPWJX-UHFFFAOYSA-N 0 0 338.270 5.106 10 0 EKAERN CC(C)CCC[C@@H](C)NC(=O)c1cc(Br)ccc1Cl ZINC000070134736 203074237 /nfs/dbraw/zinc/07/42/37/203074237.db2.gz KHIAYQWGEIWSDO-LLVKDONJSA-N 0 0 346.696 5.047 10 0 EKAERN FC(F)(F)c1ccc(SCc2ccc(Br)cc2)nc1 ZINC000070134792 203074259 /nfs/dbraw/zinc/07/42/59/203074259.db2.gz ICFQXXWHGJQYIA-UHFFFAOYSA-N 0 0 348.187 5.155 10 0 EKAERN C[C@H](Nc1ncc(Cl)cc1Cl)c1ccc(Br)cc1 ZINC000070136195 203074648 /nfs/dbraw/zinc/07/46/48/203074648.db2.gz JQBGFIMRNGEREQ-QMMMGPOBSA-N 0 0 346.055 5.324 10 0 EKAERN C[C@@H](Nc1ncc(Cl)cc1Cl)c1ccc(Br)cc1 ZINC000070136196 215677146 /nfs/dbraw/zinc/67/71/46/215677146.db2.gz JQBGFIMRNGEREQ-MRVPVSSYSA-N 0 0 346.055 5.324 10 0 EKAERN FC(F)(F)c1ccc(COc2cccc(Br)c2)cc1 ZINC000070247522 215684738 /nfs/dbraw/zinc/68/47/38/215684738.db2.gz VESRAYFIAKSRHO-UHFFFAOYSA-N 0 0 331.131 5.047 10 0 EKAERN Clc1cc(Cl)cc(OCc2cc(Br)cs2)c1 ZINC000071109406 202339246 /nfs/dbraw/zinc/33/92/46/202339246.db2.gz KBXGRVLIOIYHFP-UHFFFAOYSA-N 0 0 338.053 5.396 10 0 EKAERN Clc1cccc(Cl)c1OCc1ccc(Br)s1 ZINC000071109422 202339511 /nfs/dbraw/zinc/33/95/11/202339511.db2.gz AKKHMFSWHYBLNU-UHFFFAOYSA-N 0 0 338.053 5.396 10 0 EKAERN CCCCc1ccc(NC(=S)Nc2ccc(Cl)cc2C)cc1 ZINC000071326225 203092031 /nfs/dbraw/zinc/09/20/31/203092031.db2.gz KWARYENCBCDQDO-UHFFFAOYSA-N 0 0 332.900 5.800 10 0 EKAERN COC1(OC)C=CC(C(Cl)(c2ccccc2)c2ccccc2)=CC1 ZINC000071617443 215788946 /nfs/dbraw/zinc/78/89/46/215788946.db2.gz QMQXVNHINOVNSD-UHFFFAOYSA-N 0 0 340.850 5.044 10 0 EKAERN CSc1cccc(NC(=S)Nc2cccc(C(F)(F)F)c2)c1 ZINC000071761375 203109105 /nfs/dbraw/zinc/10/91/05/203109105.db2.gz ZMJHTSLQOHTXMM-UHFFFAOYSA-N 0 0 342.411 5.236 10 0 EKAERN CSc1cccc(NC(=S)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000071761376 203108855 /nfs/dbraw/zinc/10/88/55/203108855.db2.gz ZGRNUPAWSHNAOH-UHFFFAOYSA-N 0 0 342.411 5.236 10 0 EKAERN COc1ccc(NC(=S)Nc2c(C)cc(C)cc2C)cc1Cl ZINC000071761808 215817333 /nfs/dbraw/zinc/81/73/33/215817333.db2.gz CDBISHLAHLTUPC-UHFFFAOYSA-N 0 0 334.872 5.083 10 0 EKAERN Clc1cc(Cl)cc(-c2ccc(I)cc2)c1 ZINC000071789850 215826855 /nfs/dbraw/zinc/82/68/55/215826855.db2.gz KPZLMPOJBITKPS-UHFFFAOYSA-N 0 0 348.998 5.265 10 0 EKAERN Cc1ccc([C@]2(Cc3ccccc3)c3ccccc3-c3nccn32)cc1 ZINC000072110214 203162623 /nfs/dbraw/zinc/16/26/23/203162623.db2.gz WQURFRHDPQQANU-XMMPIXPASA-N 0 0 336.438 5.207 10 0 EKAERN Cc1ccc([C@@]2(Cc3ccccc3)c3ccccc3-c3nccn32)cc1 ZINC000072110215 203162843 /nfs/dbraw/zinc/16/28/43/203162843.db2.gz WQURFRHDPQQANU-DEOSSOPVSA-N 0 0 336.438 5.207 10 0 EKAERN Fc1ccc([C@@]2(Cc3ccccc3)c3ccccc3-c3nccn32)cc1 ZINC000072111008 216010443 /nfs/dbraw/zinc/01/04/43/216010443.db2.gz GPKQVCHNKVRPDY-QHCPKHFHSA-N 0 0 340.401 5.037 10 0 EKAERN Fc1ccc([C@]2(Cc3ccccc3)c3ccccc3-c3nccn32)cc1 ZINC000072111011 216010327 /nfs/dbraw/zinc/01/03/27/216010327.db2.gz GPKQVCHNKVRPDY-HSZRJFAPSA-N 0 0 340.401 5.037 10 0 EKAERN CC(C)(C)OC(=O)NC1CCC(CCc2c[nH]c3ccccc23)CC1 ZINC000072187427 203183473 /nfs/dbraw/zinc/18/34/73/203183473.db2.gz UAEDFFPKSOYMRM-UHFFFAOYSA-N 0 0 342.483 5.184 10 0 EKAERN CC(C)n1c(SCc2ccccc2)nnc1-c1cc2ccccc2o1 ZINC000072190856 216068419 /nfs/dbraw/zinc/06/84/19/216068419.db2.gz WOIYCQDHPPYKAC-UHFFFAOYSA-N 0 0 349.459 5.565 10 0 EKAERN CC(C)(C)P1Oc2cccc3c2C2(CC3)CCc3cccc(c32)O1 ZINC000072194402 216068403 /nfs/dbraw/zinc/06/84/03/216068403.db2.gz LLEZTIOCARPMMS-UHFFFAOYSA-N 0 0 338.387 5.747 10 0 EKAERN O=C(CC/C=C/c1ccccc1)N(c1ccccc1)c1ccccc1 ZINC000072236036 216076760 /nfs/dbraw/zinc/07/67/60/216076760.db2.gz NGHFCUVWDXYEAZ-GXDHUFHOSA-N 0 0 327.427 5.845 10 0 EKAERN O=C(C/C=C/c1ccccc1)N(Cc1ccccc1)c1ccccc1 ZINC000072236053 216076612 /nfs/dbraw/zinc/07/66/12/216076612.db2.gz IWMOTUYJEMCIKG-XNTDXEJSSA-N 0 0 327.427 5.323 10 0 EKAERN Cc1ccc(N(C(=O)C/C=C/c2ccccc2)c2ccc(C)cc2)cc1 ZINC000072236059 203183734 /nfs/dbraw/zinc/18/37/34/203183734.db2.gz UXVRYSFQFCHQOU-RMKNXTFCSA-N 0 0 341.454 6.072 10 0 EKAERN CCOC(=O)c1ccc(Nc2ccnc3c2cccc3C(C)C)cc1 ZINC000072236871 203184684 /nfs/dbraw/zinc/18/46/84/203184684.db2.gz GKKHJQFELFKYRU-UHFFFAOYSA-N 0 0 334.419 5.279 10 0 EKAERN CCOC(=O)c1cccc(Nc2ccnc3c2cccc3C(C)C)c1 ZINC000072236874 216076068 /nfs/dbraw/zinc/07/60/68/216076068.db2.gz ACZRGXVNLSMPMG-UHFFFAOYSA-N 0 0 334.419 5.279 10 0 EKAERN Nc1cccc(Oc2ccnc3cc(C(F)(F)F)c(Cl)cc32)c1 ZINC000072237303 216076000 /nfs/dbraw/zinc/07/60/00/216076000.db2.gz KCIYFXINMLSKCV-UHFFFAOYSA-N 0 0 338.716 5.282 10 0 EKAERN Nc1cccc(Nc2ccnc3cc(C(F)(F)F)c(Cl)cc32)c1 ZINC000072237305 216076541 /nfs/dbraw/zinc/07/65/41/216076541.db2.gz TUTKVQAJTYONCX-UHFFFAOYSA-N 0 0 337.732 5.233 10 0 EKAERN CCOC(=O)c1ccc(Nc2ccnc3cc(Cl)c(C)cc32)cc1 ZINC000072237417 203184780 /nfs/dbraw/zinc/18/47/80/203184780.db2.gz AMLXGDRTZKPPFF-UHFFFAOYSA-N 0 0 340.810 5.117 10 0 EKAERN CCOC(=O)c1cccc(Nc2ccnc3cc(Cl)c(C)cc32)c1 ZINC000072237420 216076357 /nfs/dbraw/zinc/07/63/57/216076357.db2.gz LBTJFELCXFJKOA-UHFFFAOYSA-N 0 0 340.810 5.117 10 0 EKAERN Cc1cccc(Nc2nc3ccccc3c(Nc3ccccc3)n2)c1 ZINC000072260321 216086236 /nfs/dbraw/zinc/08/62/36/216086236.db2.gz ZLAZKQKBMIZHKF-UHFFFAOYSA-N 0 0 326.403 5.425 10 0 EKAERN Fc1ccc(Nc2nc3ccccc3c(Nc3ccccc3)n2)cc1 ZINC000072260322 216085952 /nfs/dbraw/zinc/08/59/52/216085952.db2.gz GXMKMNCUUAVYEI-UHFFFAOYSA-N 0 0 330.366 5.256 10 0 EKAERN Fc1cccc(Nc2nc3ccccc3c(Nc3ccccc3)n2)c1 ZINC000072260323 216085860 /nfs/dbraw/zinc/08/58/60/216085860.db2.gz UXLMVWZJAINLOR-UHFFFAOYSA-N 0 0 330.366 5.256 10 0 EKAERN Fc1ccccc1Nc1nc2ccccc2c(Nc2ccccc2)n1 ZINC000072260324 216086061 /nfs/dbraw/zinc/08/60/61/216086061.db2.gz CQURVCCBPLCYHC-UHFFFAOYSA-N 0 0 330.366 5.256 10 0 EKAERN Clc1ccccc1Nc1nc2ccccc2c(Nc2ccccc2)n1 ZINC000072260325 216086356 /nfs/dbraw/zinc/08/63/56/216086356.db2.gz NWTMKCPPAPGLIB-UHFFFAOYSA-N 0 0 346.821 5.770 10 0 EKAERN Clc1cccc(Nc2nc3ccccc3c(Nc3ccccc3)n2)c1 ZINC000072260326 216085806 /nfs/dbraw/zinc/08/58/06/216085806.db2.gz CRSMZPZUFQGGRO-UHFFFAOYSA-N 0 0 346.821 5.770 10 0 EKAERN CCc1ccc(Nc2nc3ccccc3c(Nc3ccccc3)n2)cc1 ZINC000072260333 216085729 /nfs/dbraw/zinc/08/57/29/216085729.db2.gz LSCMNWWAWXHNQZ-UHFFFAOYSA-N 0 0 340.430 5.679 10 0 EKAERN COc1cccc(Nc2nc3ccccc3c(Nc3ccccc3)n2)c1 ZINC000072260334 216086042 /nfs/dbraw/zinc/08/60/42/216086042.db2.gz IECFMSSWMBCXPR-UHFFFAOYSA-N 0 0 342.402 5.126 10 0 EKAERN COc1ccccc1Nc1nc2ccccc2c(Nc2ccccc2)n1 ZINC000072260335 216086114 /nfs/dbraw/zinc/08/61/14/216086114.db2.gz OFWSJYMUPFUEMU-UHFFFAOYSA-N 0 0 342.402 5.126 10 0 EKAERN Cc1cccc(Nc2nc3ccccc3c(Nc3ccccc3)n2)c1C ZINC000072260348 216085954 /nfs/dbraw/zinc/08/59/54/216085954.db2.gz RPJDQCQZDYTLRK-UHFFFAOYSA-N 0 0 340.430 5.734 10 0 EKAERN Cc1ccc(Nc2nc3ccccc3c(Nc3ccccc3)n2)c(C)c1 ZINC000072260349 216085697 /nfs/dbraw/zinc/08/56/97/216085697.db2.gz WTXZNHPDKNOWKX-UHFFFAOYSA-N 0 0 340.430 5.734 10 0 EKAERN Cc1ccc(C)c(Nc2nc3ccccc3c(Nc3ccccc3)n2)c1 ZINC000072260350 203185751 /nfs/dbraw/zinc/18/57/51/203185751.db2.gz BHZSCEHEPWTNTJ-UHFFFAOYSA-N 0 0 340.430 5.734 10 0 EKAERN Cc1ccc(Nc2nc3ccccc3c(Nc3ccccc3)n2)cc1C ZINC000072260351 216085585 /nfs/dbraw/zinc/08/55/85/216085585.db2.gz XBTLXEQXUXLWHK-UHFFFAOYSA-N 0 0 340.430 5.734 10 0 EKAERN Cc1cc(C)cc(Nc2nc3ccccc3c(Nc3ccccc3)n2)c1 ZINC000072260352 216085941 /nfs/dbraw/zinc/08/59/41/216085941.db2.gz GIGBRISQKFEDFI-UHFFFAOYSA-N 0 0 340.430 5.734 10 0 EKAERN Cc1ccc(O)c(Nc2nc3ccccc3c(Nc3ccccc3)n2)c1 ZINC000072260353 216085625 /nfs/dbraw/zinc/08/56/25/216085625.db2.gz HRLYVZFHQXKQQQ-UHFFFAOYSA-N 0 0 342.402 5.131 10 0 EKAERN Fc1ccc(Nc2nc3ccccc3c(Nc3ccccc3)n2)c(F)c1 ZINC000072260367 216086194 /nfs/dbraw/zinc/08/61/94/216086194.db2.gz BWCNHGXASRROIY-UHFFFAOYSA-N 0 0 348.356 5.395 10 0 EKAERN Cc1ccc(Nc2nc(Nc3ccccc3)nc3ccccc32)cc1 ZINC000072260403 216085510 /nfs/dbraw/zinc/08/55/10/216085510.db2.gz OZSCXDMCMFKAQY-UHFFFAOYSA-N 0 0 326.403 5.425 10 0 EKAERN Cc1ccc(Nc2nc(Nc3ccccc3C)nc3ccccc32)cc1 ZINC000072260404 216085957 /nfs/dbraw/zinc/08/59/57/216085957.db2.gz KCHDIYMKZYJDPG-UHFFFAOYSA-N 0 0 340.430 5.734 10 0 EKAERN Cc1ccc(Nc2nc(Nc3cccc(C)c3)nc3ccccc32)cc1 ZINC000072260405 216085628 /nfs/dbraw/zinc/08/56/28/216085628.db2.gz RQUIEKRQQVWJSP-UHFFFAOYSA-N 0 0 340.430 5.734 10 0 EKAERN Cc1ccc(Nc2nc3ccccc3c(Nc3ccc(C)cc3)n2)cc1 ZINC000072260406 203185698 /nfs/dbraw/zinc/18/56/98/203185698.db2.gz IGALFZXOOBRIKU-UHFFFAOYSA-N 0 0 340.430 5.734 10 0 EKAERN Cc1ccc(Nc2nc(Nc3ccc(F)cc3)nc3ccccc32)cc1 ZINC000072260407 203186071 /nfs/dbraw/zinc/18/60/71/203186071.db2.gz NARIVQGAJCFGNS-UHFFFAOYSA-N 0 0 344.393 5.565 10 0 EKAERN Cc1ccc(Nc2nc(Nc3cccc(F)c3)nc3ccccc32)cc1 ZINC000072260408 203185265 /nfs/dbraw/zinc/18/52/65/203185265.db2.gz KAVUQIHXSORHED-UHFFFAOYSA-N 0 0 344.393 5.565 10 0 EKAERN Cc1ccc(Nc2nc(Nc3ccccc3F)nc3ccccc32)cc1 ZINC000072260409 216085700 /nfs/dbraw/zinc/08/57/00/216085700.db2.gz DZSDRTUULBVFPJ-UHFFFAOYSA-N 0 0 344.393 5.565 10 0 EKAERN Cc1ccc(Nc2nc(Nc3ccc(O)cc3)nc3ccccc32)cc1 ZINC000072260413 203186315 /nfs/dbraw/zinc/18/63/15/203186315.db2.gz SKKQPUNNTIKYCC-UHFFFAOYSA-N 0 0 342.402 5.131 10 0 EKAERN Cc1ccc(Nc2nc(Nc3cccc(O)c3)nc3ccccc32)cc1 ZINC000072260418 203185472 /nfs/dbraw/zinc/18/54/72/203185472.db2.gz WJSBZVOSWYWWNG-UHFFFAOYSA-N 0 0 342.402 5.131 10 0 EKAERN Cc1ccc(Nc2nc(Nc3ccccc3O)nc3ccccc32)cc1 ZINC000072260420 203185982 /nfs/dbraw/zinc/18/59/82/203185982.db2.gz ZINWOYNSLKKYGQ-UHFFFAOYSA-N 0 0 342.402 5.131 10 0 EKAERN Cc1ccc(Nc2nc(N3CCCCCC3)nc3ccccc32)cc1 ZINC000072260497 203185138 /nfs/dbraw/zinc/18/51/38/203185138.db2.gz UZOBQDKAPXWLSU-UHFFFAOYSA-N 0 0 332.451 5.062 10 0 EKAERN Cc1ccc(CNc2nc(Nc3ccccc3)nc3ccccc32)cc1 ZINC000072260594 216085772 /nfs/dbraw/zinc/08/57/72/216085772.db2.gz OJGCCXYHKKQGQN-UHFFFAOYSA-N 0 0 340.430 5.294 10 0 EKAERN Cc1cc2c(nc(-c3cccnc3)nc2N[C@@H](C)c2ccccc2)s1 ZINC000072260817 216085892 /nfs/dbraw/zinc/08/58/92/216085892.db2.gz JWNPCZVLHRCLAK-AWEZNQCLSA-N 0 0 346.459 5.235 10 0 EKAERN Cc1cc2c(nc(-c3cccnc3)nc2N[C@H](C)c2ccccc2)s1 ZINC000072260818 216086343 /nfs/dbraw/zinc/08/63/43/216086343.db2.gz JWNPCZVLHRCLAK-CQSZACIVSA-N 0 0 346.459 5.235 10 0 EKAERN Cc1cc2c(nc(-c3cccnc3)nc2Nc2ccccc2C)s1 ZINC000072260835 203185813 /nfs/dbraw/zinc/18/58/13/203185813.db2.gz XRUNHXRKJDNHMO-UHFFFAOYSA-N 0 0 332.432 5.114 10 0 EKAERN Cc1cc2c(nc(-c3cccnc3)nc2Nc2cccc(C)c2)s1 ZINC000072260840 216085879 /nfs/dbraw/zinc/08/58/79/216085879.db2.gz NVLJKIROLUYXDB-UHFFFAOYSA-N 0 0 332.432 5.114 10 0 EKAERN Cc1cc2c(nc(-c3cccnc3)nc2Nc2ccc(C)cc2)s1 ZINC000072260845 203185687 /nfs/dbraw/zinc/18/56/87/203185687.db2.gz DFKDIICSTXBTDM-UHFFFAOYSA-N 0 0 332.432 5.114 10 0 EKAERN Cc1cc2c(nc(-c3cccnc3)nc2Nc2cccc(C)c2C)s1 ZINC000072260865 216086154 /nfs/dbraw/zinc/08/61/54/216086154.db2.gz GTEMECBGVFPUPB-UHFFFAOYSA-N 0 0 346.459 5.422 10 0 EKAERN Cc1cc2c(nc(-c3cccnc3)nc2Nc2ccc(C)cc2C)s1 ZINC000072260866 203185973 /nfs/dbraw/zinc/18/59/73/203185973.db2.gz PLFWPPSANQNZNH-UHFFFAOYSA-N 0 0 346.459 5.422 10 0 EKAERN Cc1cc2c(nc(-c3cccnc3)nc2Nc2cc(C)ccc2C)s1 ZINC000072260867 216086125 /nfs/dbraw/zinc/08/61/25/216086125.db2.gz KJCQGGQTYFCYAT-UHFFFAOYSA-N 0 0 346.459 5.422 10 0 EKAERN Cc1cc2c(nc(-c3cccnc3)nc2Nc2ccc(C)c(C)c2)s1 ZINC000072260868 216085746 /nfs/dbraw/zinc/08/57/46/216085746.db2.gz PZDXWYKVGHNBIW-UHFFFAOYSA-N 0 0 346.459 5.422 10 0 EKAERN Cc1cc2c(nc(-c3cccnc3)nc2Nc2cc(C)cc(C)c2)s1 ZINC000072260869 203185119 /nfs/dbraw/zinc/18/51/19/203185119.db2.gz LJFFNJRZXWDBHI-UHFFFAOYSA-N 0 0 346.459 5.422 10 0 EKAERN COc1ccc(Nc2nc(Nc3ccccc3)nc3ccccc32)cc1 ZINC000072261005 216086068 /nfs/dbraw/zinc/08/60/68/216086068.db2.gz FGECKAUSOPPLOZ-UHFFFAOYSA-N 0 0 342.402 5.126 10 0 EKAERN C(=C/c1ccc(-c2ccc(/C=C/c3ccco3)cc2)cc1)\c1ccco1 ZINC000072266028 216087534 /nfs/dbraw/zinc/08/75/34/216087534.db2.gz FIIHDDDYXXZPMZ-KAVGSWPWSA-N 0 0 338.406 6.880 10 0 EKAERN S=c1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)cc[nH]1 ZINC000072416858 216206655 /nfs/dbraw/zinc/20/66/55/216206655.db2.gz KFFXNNUVQVAXQT-UHFFFAOYSA-N 0 0 328.824 5.039 10 0 EKAERN Cc1cc(C(=O)N2CCCc3ccccc32)c2c(c1)C(C)=CC(C)(C)N2 ZINC000072441533 203225753 /nfs/dbraw/zinc/22/57/53/203225753.db2.gz PICVVDNXXCBOIP-UHFFFAOYSA-N 0 0 346.474 5.195 10 0 EKAERN CC1=CC(C)(C)N(C(=O)c2ccc(C(C)(C)C)cc2)c2ccc(O)cc21 ZINC000072441665 203225499 /nfs/dbraw/zinc/22/54/99/203225499.db2.gz LGJRIZYXUWODNQ-UHFFFAOYSA-N 0 0 349.474 5.532 10 0 EKAERN CC1=CC(C)(C)N(C(=O)c2cccc3ccccc32)c2ccc(O)cc21 ZINC000072441674 216235439 /nfs/dbraw/zinc/23/54/39/216235439.db2.gz ZJRUTUHKFODFSQ-UHFFFAOYSA-N 0 0 343.426 5.388 10 0 EKAERN c1ccc(-c2ccc(-c3ccnc(N4CCc5ccccc54)n3)cc2)cc1 ZINC000072443420 203225515 /nfs/dbraw/zinc/22/55/15/203225515.db2.gz CXZQNYCAIZGOEM-UHFFFAOYSA-N 0 0 349.437 5.505 10 0 EKAERN Cc1ccc(Nc2nccc(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000072443517 216236756 /nfs/dbraw/zinc/23/67/56/216236756.db2.gz OYNPUXFSYCESKJ-UHFFFAOYSA-N 0 0 337.426 5.863 10 0 EKAERN Clc1ccc(Nc2nccc(-c3cccc4ccccc43)n2)cc1 ZINC000072443539 216236468 /nfs/dbraw/zinc/23/64/68/216236468.db2.gz KZMQJDTXZINDSG-UHFFFAOYSA-N 0 0 331.806 5.694 10 0 EKAERN Clc1ccc(Nc2nccc(-c3ccc4ccccc4c3)n2)cc1 ZINC000072443540 203225348 /nfs/dbraw/zinc/22/53/48/203225348.db2.gz SMLBZLYALDGNLH-UHFFFAOYSA-N 0 0 331.806 5.694 10 0 EKAERN CSc1ccc(-c2ccnc(Nc3ccc(Cl)cc3)n2)cc1 ZINC000072443543 216236502 /nfs/dbraw/zinc/23/65/02/216236502.db2.gz LMMLKVOIPPGFCM-UHFFFAOYSA-N 0 0 327.840 5.263 10 0 EKAERN COc1ccc(Nc2nccc(-c3cccc4ccccc43)n2)cc1 ZINC000072443562 203225905 /nfs/dbraw/zinc/22/59/05/203225905.db2.gz HNHPPSAFXNUUTH-UHFFFAOYSA-N 0 0 327.387 5.049 10 0 EKAERN COc1ccc(Nc2nccc(-c3ccc4ccccc4c3)n2)cc1 ZINC000072443563 216236538 /nfs/dbraw/zinc/23/65/38/216236538.db2.gz YPGAQLYJPCKVNP-UHFFFAOYSA-N 0 0 327.387 5.049 10 0 EKAERN CC(C)c1ccc(/C=C/c2ccnc(N3CCc4ccccc43)n2)cc1 ZINC000072443629 216236081 /nfs/dbraw/zinc/23/60/81/216236081.db2.gz YESWWBYQXGYWSK-FMIVXFBMSA-N 0 0 341.458 5.465 10 0 EKAERN Clc1ccc(Nc2nccc(/C=C/c3cccc(Cl)c3)n2)cc1 ZINC000072443676 216236455 /nfs/dbraw/zinc/23/64/55/216236455.db2.gz RGOVGPMNUZGBPB-QPJJXVBHSA-N 0 0 342.229 5.697 10 0 EKAERN Clc1ccc(/C=C/c2ccnc(Nc3ccc(Cl)cc3)n2)cc1 ZINC000072443677 216236332 /nfs/dbraw/zinc/23/63/32/216236332.db2.gz WKMHYKPLKOTQGE-FPYGCLRLSA-N 0 0 342.229 5.697 10 0 EKAERN Fc1ccc(/C=C/c2ccnc(Nc3ccc(Cl)cc3)n2)cc1 ZINC000072443678 216236157 /nfs/dbraw/zinc/23/61/57/216236157.db2.gz LFYPKPAQWYVHAY-FPYGCLRLSA-N 0 0 325.774 5.183 10 0 EKAERN CC(C)c1ccc(/C=C/c2ccnc(Nc3ccc(Cl)cc3)n2)cc1 ZINC000072443679 203225345 /nfs/dbraw/zinc/22/53/45/203225345.db2.gz VEGWEZGXNSRUSC-BJMVGYQFSA-N 0 0 349.865 6.167 10 0 EKAERN COc1ccc(/C=C/c2ccnc(Nc3ccc(Cl)cc3)n2)cc1 ZINC000072443680 216236288 /nfs/dbraw/zinc/23/62/88/216236288.db2.gz ZMCRBHYDTBUWFQ-FARCUNLSSA-N 0 0 337.810 5.053 10 0 EKAERN Clc1ccc(Nc2nccc(/C=C/C=C\c3ccccc3)n2)cc1 ZINC000072443682 216235928 /nfs/dbraw/zinc/23/59/28/216235928.db2.gz NYPWHXRDWMESQB-MVTUOISNSA-N 0 0 333.822 5.600 10 0 EKAERN Cc1ccc(Nc2nccc(/C=C/c3ccc(C(C)C)cc3)n2)cc1 ZINC000072443692 216236498 /nfs/dbraw/zinc/23/64/98/216236498.db2.gz NVNXGSGCJQJDSI-MDWZMJQESA-N 0 0 329.447 5.822 10 0 EKAERN COc1ccc(Nc2nccc(/C=C/c3cccc(Cl)c3)n2)cc1 ZINC000072443702 216236279 /nfs/dbraw/zinc/23/62/79/216236279.db2.gz SZTYPBVOQGVTEX-AATRIKPKSA-N 0 0 337.810 5.053 10 0 EKAERN COc1ccc(Nc2nccc(/C=C/c3ccc(Cl)cc3)n2)cc1 ZINC000072443703 216236712 /nfs/dbraw/zinc/23/67/12/216236712.db2.gz MWKPUZGEMHYIKK-QPJJXVBHSA-N 0 0 337.810 5.053 10 0 EKAERN c1ccc(-c2nc3nccc(-c4ccc(-c5ccccc5)cc4)n3n2)cc1 ZINC000072451412 203226741 /nfs/dbraw/zinc/22/67/41/203226741.db2.gz LDTXNDYRLILQDK-UHFFFAOYSA-N 0 0 348.409 5.125 10 0 EKAERN c1nn2c(nccc2-c2ccc(-c3ccccc3)cc2)c1-c1ccccc1 ZINC000072451536 216239499 /nfs/dbraw/zinc/23/94/99/216239499.db2.gz MUTWUJNHHQIURL-UHFFFAOYSA-N 0 0 347.421 5.730 10 0 EKAERN CCc1nn2c(nccc2-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000072451540 216239874 /nfs/dbraw/zinc/23/98/74/216239874.db2.gz LETSQUUVHZOHIQ-UHFFFAOYSA-N 0 0 333.822 5.279 10 0 EKAERN CCc1nn2c(nccc2-c2ccccc2Cl)c1-c1ccccc1 ZINC000072451557 216239925 /nfs/dbraw/zinc/23/99/25/216239925.db2.gz DVWBYBFIVQIKON-UHFFFAOYSA-N 0 0 333.822 5.279 10 0 EKAERN CCc1nn2c(nccc2-c2cccc3ccccc32)c1-c1ccccc1 ZINC000072451562 216239840 /nfs/dbraw/zinc/23/98/40/216239840.db2.gz IYJOSUYOMPITGG-UHFFFAOYSA-N 0 0 349.437 5.779 10 0 EKAERN CCc1nn2c(nccc2-c2ccc3ccccc3c2)c1-c1ccccc1 ZINC000072451564 216239949 /nfs/dbraw/zinc/23/99/49/216239949.db2.gz OXZYFIMOKIPVOX-UHFFFAOYSA-N 0 0 349.437 5.779 10 0 EKAERN CCc1nn2c(nccc2-c2ccccc2)c1-c1ccc(Cl)cc1 ZINC000072451612 203227386 /nfs/dbraw/zinc/22/73/86/203227386.db2.gz VFRCUXCABNCBHE-UHFFFAOYSA-N 0 0 333.822 5.279 10 0 EKAERN Cc1nn2c(nccc2-c2ccc(F)cc2)c1-c1ccc(Cl)cc1 ZINC000072451617 216239513 /nfs/dbraw/zinc/23/95/13/216239513.db2.gz BTRDCDRKEZLKIP-UHFFFAOYSA-N 0 0 337.785 5.164 10 0 EKAERN Clc1ccc(-c2cnn3c2nccc3-c2ccc(Cl)cc2)cc1 ZINC000072451619 216239483 /nfs/dbraw/zinc/23/94/83/216239483.db2.gz LBHFHURBSZJWII-UHFFFAOYSA-N 0 0 340.213 5.370 10 0 EKAERN COc1ccc(-c2ccnc3c(-c4ccc(Cl)cc4)c(C)nn32)cc1 ZINC000072451626 203226994 /nfs/dbraw/zinc/22/69/94/203226994.db2.gz PERBGJNGWNDCTF-UHFFFAOYSA-N 0 0 349.821 5.034 10 0 EKAERN Cc1nn2c(nccc2-c2ccc(C)cc2)c1-c1ccc(Cl)cc1 ZINC000072451636 203226727 /nfs/dbraw/zinc/22/67/27/203226727.db2.gz FEMYZMIIXHYNOT-UHFFFAOYSA-N 0 0 333.822 5.334 10 0 EKAERN CCc1nn2c(nccc2-c2ccc(C)cc2)c1-c1ccc(Cl)cc1 ZINC000072451637 216240170 /nfs/dbraw/zinc/24/01/70/216240170.db2.gz UGSYKLIGFJEZFR-UHFFFAOYSA-N 0 0 347.849 5.588 10 0 EKAERN Clc1ccc(-c2cnn3c2nccc3-c2ccccc2Cl)cc1 ZINC000072451646 216239295 /nfs/dbraw/zinc/23/92/95/216239295.db2.gz AOHPZQCTOCEJLB-UHFFFAOYSA-N 0 0 340.213 5.370 10 0 EKAERN COc1cccc(-c2ccnc3c(-c4ccc(Cl)cc4)c(C)nn32)c1 ZINC000072451651 216239356 /nfs/dbraw/zinc/23/93/56/216239356.db2.gz XYHSFKMDEQIILC-UHFFFAOYSA-N 0 0 349.821 5.034 10 0 EKAERN Cc1nn2c(nccc2-c2cccs2)c1-c1ccc(Cl)cc1 ZINC000072451669 216239495 /nfs/dbraw/zinc/23/94/95/216239495.db2.gz SWGHMMNFRHKBHA-UHFFFAOYSA-N 0 0 325.824 5.087 10 0 EKAERN CCc1nn2c(nccc2-c2cccs2)c1-c1ccc(Cl)cc1 ZINC000072451670 203226485 /nfs/dbraw/zinc/22/64/85/203226485.db2.gz GWMCQSHDKVSDDI-UHFFFAOYSA-N 0 0 339.851 5.341 10 0 EKAERN Cc1nn2c(nccc2-c2ccsc2)c1-c1ccc(Cl)cc1 ZINC000072451671 216240162 /nfs/dbraw/zinc/24/01/62/216240162.db2.gz KXLGKXSCISEULE-UHFFFAOYSA-N 0 0 325.824 5.087 10 0 EKAERN CCc1nn2c(nccc2-c2ccccc2)c1-c1cccc(Cl)c1 ZINC000072451698 216239444 /nfs/dbraw/zinc/23/94/44/216239444.db2.gz QYGLEOYHYDRLKY-UHFFFAOYSA-N 0 0 333.822 5.279 10 0 EKAERN Clc1ccc(-c2ccnc3c(-c4cccc(Cl)c4)cnn32)cc1 ZINC000072451703 216239807 /nfs/dbraw/zinc/23/98/07/216239807.db2.gz PDYAQDYISYXEQN-UHFFFAOYSA-N 0 0 340.213 5.370 10 0 EKAERN COc1ccc(-c2ccnc3c(-c4cccc(Cl)c4)c(C)nn32)cc1 ZINC000072451711 216240042 /nfs/dbraw/zinc/24/00/42/216240042.db2.gz OUQNBVXLPRIERI-UHFFFAOYSA-N 0 0 349.821 5.034 10 0 EKAERN CCc1nn2c(nccc2-c2ccc(C)cc2)c1-c1cccc(Cl)c1 ZINC000072451722 216240105 /nfs/dbraw/zinc/24/01/05/216240105.db2.gz JCGZJMBHXDRZNM-UHFFFAOYSA-N 0 0 347.849 5.588 10 0 EKAERN Clc1cccc(-c2cnn3c2nccc3-c2ccccc2Cl)c1 ZINC000072451731 216239709 /nfs/dbraw/zinc/23/97/09/216239709.db2.gz KFNRMCWUYNEFDZ-UHFFFAOYSA-N 0 0 340.213 5.370 10 0 EKAERN CCc1nn2c(nccc2-c2cccs2)c1-c1cccc(Cl)c1 ZINC000072451752 216239699 /nfs/dbraw/zinc/23/96/99/216239699.db2.gz WQBIMDDLFPTBGB-UHFFFAOYSA-N 0 0 339.851 5.341 10 0 EKAERN CCc1nn2c(nccc2-c2ccsc2)c1-c1cccc(Cl)c1 ZINC000072451753 216239816 /nfs/dbraw/zinc/23/98/16/216239816.db2.gz YEGFHKQSTANDLM-UHFFFAOYSA-N 0 0 339.851 5.341 10 0 EKAERN C(=C/c1ccccc1)\Cn1c(/C=C\c2ccccc2)nc2ccccc21 ZINC000073195628 216362644 /nfs/dbraw/zinc/36/26/44/216362644.db2.gz FEHAXRBZQGMLEQ-QPYPEQPVSA-N 0 0 336.438 5.920 10 0 EKAERN COC(=O)c1ccc2nc(-c3cc(Cl)ccc3Cl)sc2c1 ZINC000073635315 216403801 /nfs/dbraw/zinc/40/38/01/216403801.db2.gz LINUBENEVGMPJS-UHFFFAOYSA-N 0 0 338.215 5.057 10 0 EKAERN COC(=O)c1ccc2nc(-c3ccc(Cl)c(Cl)c3)sc2c1 ZINC000073635332 216403365 /nfs/dbraw/zinc/40/33/65/216403365.db2.gz NVRGTAFPBJUQBZ-UHFFFAOYSA-N 0 0 338.215 5.057 10 0 EKAERN COC(=O)c1ccc2nc(-c3ccc(Cl)cc3Cl)sc2c1 ZINC000073635338 563930854 /nfs/dbraw/zinc/93/08/54/563930854.db2.gz BOLWUBQYUITVLV-UHFFFAOYSA-N 0 0 338.215 5.057 10 0 EKAERN Cc1cc2sc(Cc3ccc(Br)cc3)nc2c(C)c1 ZINC000073635542 563930924 /nfs/dbraw/zinc/93/09/24/563930924.db2.gz FNCCZYSHNPJKPF-UHFFFAOYSA-N 0 0 332.266 5.266 10 0 EKAERN COc1ccc(-c2nc3c(cc(C)cc3C)s2)cc1Br ZINC000073635629 202369770 /nfs/dbraw/zinc/36/97/70/202369770.db2.gz KGNSEAINWPMHHB-UHFFFAOYSA-N 0 0 348.265 5.351 10 0 EKAERN Clc1ccc2[nH]c(-c3nc(-c4cccc(Cl)c4)no3)cc2c1 ZINC000073637991 216403543 /nfs/dbraw/zinc/40/35/43/216403543.db2.gz FXVHNWHEZHKCKZ-UHFFFAOYSA-N 0 0 330.174 5.192 10 0 EKAERN Clc1ccc2[nH]c(-c3nc(-c4c[nH]c5ccccc45)no3)cc2c1 ZINC000073637995 202369702 /nfs/dbraw/zinc/36/97/02/202369702.db2.gz AYTIIUIUFWUGRN-UHFFFAOYSA-N 0 0 334.766 5.020 10 0 EKAERN CC(C)(C)c1ccc(-c2noc(Cc3c[nH]c4ccccc34)n2)cc1 ZINC000073638084 216404807 /nfs/dbraw/zinc/40/48/07/216404807.db2.gz PPQDCKVEHKRSDR-UHFFFAOYSA-N 0 0 331.419 5.106 10 0 EKAERN CCc1ccc2oc(-c3ccc(Br)cc3Cl)nc2c1 ZINC000073638103 216404824 /nfs/dbraw/zinc/40/48/24/216404824.db2.gz KXLNBWMLHGGUJU-UHFFFAOYSA-N 0 0 336.616 5.473 10 0 EKAERN Cc1cc2nc(-c3ccc(Br)cc3Cl)oc2c(C)c1 ZINC000073638107 563930837 /nfs/dbraw/zinc/93/08/37/563930837.db2.gz XKBJCYWPVRUNCJ-UHFFFAOYSA-N 0 0 336.616 5.528 10 0 EKAERN Cc1cc2nc(-c3ccc(Br)cc3Cl)oc2cc1C ZINC000073638108 563930853 /nfs/dbraw/zinc/93/08/53/563930853.db2.gz LKLZVWBARVVUMV-UHFFFAOYSA-N 0 0 336.616 5.528 10 0 EKAERN Cc1ccc2nc(-c3ccc(Br)cc3Cl)oc2c1C ZINC000073638110 563930832 /nfs/dbraw/zinc/93/08/32/563930832.db2.gz JEYBYJDCZISLGT-UHFFFAOYSA-N 0 0 336.616 5.528 10 0 EKAERN Clc1ccc2oc(-c3ccc(Br)cc3Cl)nc2c1 ZINC000073638113 563930845 /nfs/dbraw/zinc/93/08/45/563930845.db2.gz IPNGEQJEDJTLLS-UHFFFAOYSA-N 0 0 343.007 5.564 10 0 EKAERN Cc1cc2[nH]c(-c3ccc(Br)cc3Cl)nc2c(C)c1 ZINC000073638128 563930820 /nfs/dbraw/zinc/93/08/20/563930820.db2.gz WJLCGQORZCMEJC-UHFFFAOYSA-N 0 0 335.632 5.263 10 0 EKAERN Clc1ccc2oc(-c3ccc(Cl)cc3Br)nc2c1 ZINC000073638133 216404892 /nfs/dbraw/zinc/40/48/92/216404892.db2.gz TUHOUAKNVIPZCR-UHFFFAOYSA-N 0 0 343.007 5.564 10 0 EKAERN Clc1ccc2[nH]c(-c3ccc(Cl)cc3Br)nc2c1 ZINC000073638140 563930838 /nfs/dbraw/zinc/93/08/38/563930838.db2.gz ROZNHCAOOKQWAN-UHFFFAOYSA-N 0 0 342.023 5.299 10 0 EKAERN Cc1cc2[nH]c(-c3ccc(Cl)cc3Br)nc2c(C)c1 ZINC000073638141 563930827 /nfs/dbraw/zinc/93/08/27/563930827.db2.gz JNDYEDVPJFKUOV-UHFFFAOYSA-N 0 0 335.632 5.263 10 0 EKAERN Cc1cc2nc(-c3ccc(Cl)cc3Br)oc2c(C)c1 ZINC000073638143 563930835 /nfs/dbraw/zinc/93/08/35/563930835.db2.gz JCTOTBOKDNWKAJ-UHFFFAOYSA-N 0 0 336.616 5.528 10 0 EKAERN Cc1cc2nc(-c3ccc(Cl)cc3Br)oc2cc1C ZINC000073638144 563930848 /nfs/dbraw/zinc/93/08/48/563930848.db2.gz KKCZJDMMCIZCSL-UHFFFAOYSA-N 0 0 336.616 5.528 10 0 EKAERN Cc1ccc2nc(-c3ccc(Cl)cc3Br)oc2c1C ZINC000073638146 202370016 /nfs/dbraw/zinc/37/00/16/202370016.db2.gz GVHKDIWOZVQRKO-UHFFFAOYSA-N 0 0 336.616 5.528 10 0 EKAERN CCc1ccc2oc(-c3ccc(Cl)cc3Br)nc2c1 ZINC000073638153 202370262 /nfs/dbraw/zinc/37/02/62/202370262.db2.gz FSEHSVLJYUWXSV-UHFFFAOYSA-N 0 0 336.616 5.473 10 0 EKAERN CC(C)c1ccc2oc(-c3ccc(Br)cc3F)nc2c1 ZINC000073638233 563930921 /nfs/dbraw/zinc/93/09/21/563930921.db2.gz PYKKWKOOKDXQIP-UHFFFAOYSA-N 0 0 334.188 5.520 10 0 EKAERN Fc1cc(Br)ccc1-c1nc2cc(Cl)ccc2o1 ZINC000073638235 563930953 /nfs/dbraw/zinc/93/09/53/563930953.db2.gz WOGKJPRUOWCMHW-UHFFFAOYSA-N 0 0 326.552 5.050 10 0 EKAERN Cc1cc2[nH]c(-c3ccc(Br)cc3F)nc2cc1Cl ZINC000073638263 202369725 /nfs/dbraw/zinc/36/97/25/202369725.db2.gz ZFXCWSTXPUQPER-UHFFFAOYSA-N 0 0 339.595 5.093 10 0 EKAERN Nc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(Cl)c1 ZINC000073638479 563931151 /nfs/dbraw/zinc/93/11/51/563931151.db2.gz JFFAKHVIGUAZTM-UHFFFAOYSA-N 0 0 337.231 5.043 10 0 EKAERN CC(C)(C)c1ccc(-c2nc3ccc(Br)cc3s2)cc1 ZINC000073638540 563931158 /nfs/dbraw/zinc/93/11/58/563931158.db2.gz FCBZHYAIINBXEN-UHFFFAOYSA-N 0 0 346.293 6.023 10 0 EKAERN CC(C)c1ccc(-c2nc3ccc(Br)cc3s2)cc1 ZINC000073638541 216404569 /nfs/dbraw/zinc/40/45/69/216404569.db2.gz ITDBNIRQJDOFHR-UHFFFAOYSA-N 0 0 332.266 5.849 10 0 EKAERN Clc1cc2nc(-c3ccc(-c4ccccc4)cc3)oc2c(Cl)c1 ZINC000073638608 202369642 /nfs/dbraw/zinc/36/96/42/202369642.db2.gz PGQLNMULWGPVMV-UHFFFAOYSA-N 0 0 340.209 6.469 10 0 EKAERN CC(C)c1ccc2oc(Cc3ccc(Br)cc3)nc2c1 ZINC000073638753 563931134 /nfs/dbraw/zinc/93/11/34/563931134.db2.gz FDXLJYOSALYCFY-UHFFFAOYSA-N 0 0 330.225 5.305 10 0 EKAERN Cc1cc2nc(Cc3ccc(Cl)cc3)oc2c(Br)c1 ZINC000073638765 202370270 /nfs/dbraw/zinc/37/02/70/202370270.db2.gz JAJZRNIHORZKNV-UHFFFAOYSA-N 0 0 336.616 5.143 10 0 EKAERN CC(C)c1cc2nc(Cc3ccccc3)oc2c(Br)c1 ZINC000073638773 563931121 /nfs/dbraw/zinc/93/11/21/563931121.db2.gz PJCKEKGQISYYFK-UHFFFAOYSA-N 0 0 330.225 5.305 10 0 EKAERN Brc1ccc(Cc2nc3c(ccc4ccccc34)o2)cc1 ZINC000073638802 563931159 /nfs/dbraw/zinc/93/11/59/563931159.db2.gz QSYQRKSQOFSMHA-UHFFFAOYSA-N 0 0 338.204 5.334 10 0 EKAERN Clc1ccc(Cc2nc3ccc(Br)cc3s2)cc1 ZINC000073638825 563931179 /nfs/dbraw/zinc/93/11/79/563931179.db2.gz KMITZBPYNKOCAJ-UHFFFAOYSA-N 0 0 338.657 5.303 10 0 EKAERN Clc1ccc2nc(Cc3ccc(Br)cc3)sc2c1 ZINC000073638833 216404456 /nfs/dbraw/zinc/40/44/56/216404456.db2.gz KCHVBKVOSIUDMH-UHFFFAOYSA-N 0 0 338.657 5.303 10 0 EKAERN Cc1ccc(-c2nc3ccc(Br)cc3s2)cc1Cl ZINC000073639012 563931175 /nfs/dbraw/zinc/93/11/75/563931175.db2.gz JZWLSRXOTZEEBA-UHFFFAOYSA-N 0 0 338.657 5.688 10 0 EKAERN Clc1cc2nc(-c3ccc(Br)cc3)oc2c(Cl)c1 ZINC000073639091 563931244 /nfs/dbraw/zinc/93/12/44/563931244.db2.gz PODVZGVEQQOFJU-UHFFFAOYSA-N 0 0 343.007 5.564 10 0 EKAERN Clc1cc2nc(-c3cccc(Br)c3)oc2c(Cl)c1 ZINC000073639098 216404587 /nfs/dbraw/zinc/40/45/87/216404587.db2.gz YAVKXEMGRIJYOZ-UHFFFAOYSA-N 0 0 343.007 5.564 10 0 EKAERN Clc1cc2nc(-c3ccccc3Br)oc2c(Cl)c1 ZINC000073639102 202369888 /nfs/dbraw/zinc/36/98/88/202369888.db2.gz IKSGIMRKXWQVLY-UHFFFAOYSA-N 0 0 343.007 5.564 10 0 EKAERN Cc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1 ZINC000073639124 216404509 /nfs/dbraw/zinc/40/45/09/216404509.db2.gz VWOSDMGIDFNADT-UHFFFAOYSA-N 0 0 338.204 5.719 10 0 EKAERN Cc1cc2nc(-c3cccc4ccccc43)oc2c(Br)c1 ZINC000073639154 216405191 /nfs/dbraw/zinc/40/51/91/216405191.db2.gz AILONUAEDJIHTJ-UHFFFAOYSA-N 0 0 338.204 5.719 10 0 EKAERN Brc1cccc2c(-c3nc4ccccc4s3)cccc12 ZINC000073639174 202369907 /nfs/dbraw/zinc/36/99/07/202369907.db2.gz WTZAYMOMQPINFJ-UHFFFAOYSA-N 0 0 340.245 5.879 10 0 EKAERN Brc1ccc2nc(-c3cccc4ccccc43)sc2c1 ZINC000073639178 216405075 /nfs/dbraw/zinc/40/50/75/216405075.db2.gz BGYXXJRPNNUNFG-UHFFFAOYSA-N 0 0 340.245 5.879 10 0 EKAERN Cc1ccc2[nH]c(-c3cccc4c(Br)cccc34)nc2c1 ZINC000073639190 563931248 /nfs/dbraw/zinc/93/12/48/563931248.db2.gz JFXLTXWFDYGICC-UHFFFAOYSA-N 0 0 337.220 5.454 10 0 EKAERN Cc1cc2[nH]c(-c3cccc4c(Cl)cccc34)nc2cc1Cl ZINC000073639195 563931269 /nfs/dbraw/zinc/93/12/69/563931269.db2.gz JTTFVZVAYGBKTN-UHFFFAOYSA-N 0 0 327.214 5.998 10 0 EKAERN Cc1cc2nc(-c3ccc4ccccc4c3)oc2c(Br)c1 ZINC000073639221 216404335 /nfs/dbraw/zinc/40/43/35/216404335.db2.gz HMERQCMUXOXRKV-UHFFFAOYSA-N 0 0 338.204 5.719 10 0 EKAERN Cc1ccc(-c2nc3cc(C)c(C)c(Br)c3o2)c(C)c1 ZINC000073639624 202370242 /nfs/dbraw/zinc/37/02/42/202370242.db2.gz UIJUWSQLROEZJO-UHFFFAOYSA-N 0 0 330.225 5.491 10 0 EKAERN Cc1ccc(-c2nc3cc(C)c(C)c(Br)c3o2)cc1C ZINC000073639626 216405149 /nfs/dbraw/zinc/40/51/49/216405149.db2.gz KSNWSABWVCPXGF-UHFFFAOYSA-N 0 0 330.225 5.491 10 0 EKAERN Cc1ccc(C)c(-c2nc3cc(C)c(C)c(Br)c3o2)c1 ZINC000073639628 563931029 /nfs/dbraw/zinc/93/10/29/563931029.db2.gz ZDWHVGURXQBZCO-UHFFFAOYSA-N 0 0 330.225 5.491 10 0 EKAERN CC(C)(C)c1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1 ZINC000073639666 202369968 /nfs/dbraw/zinc/36/99/68/202369968.db2.gz DRNMZPJTSIAVRY-UHFFFAOYSA-N 0 0 327.427 6.459 10 0 EKAERN CCc1cc2nc(-c3cc(C)cc(C)c3)oc2c(Br)c1 ZINC000073639700 563931060 /nfs/dbraw/zinc/93/10/60/563931060.db2.gz COYXDOLAFOHWGQ-UHFFFAOYSA-N 0 0 330.225 5.437 10 0 EKAERN CCc1cc2nc(-c3ccc(C)c(C)c3)oc2c(Br)c1 ZINC000073639703 216404758 /nfs/dbraw/zinc/40/47/58/216404758.db2.gz FKICEAWRIQFILN-UHFFFAOYSA-N 0 0 330.225 5.437 10 0 EKAERN CCc1cc2nc(-c3ccc(C)cc3C)oc2c(Br)c1 ZINC000073639706 202369400 /nfs/dbraw/zinc/36/94/00/202369400.db2.gz PBZQSOYFXMPPBJ-UHFFFAOYSA-N 0 0 330.225 5.437 10 0 EKAERN CCc1cc2nc(-c3ccc(C(C)C)cc3)oc2c(Br)c1 ZINC000073639716 563931051 /nfs/dbraw/zinc/93/10/51/563931051.db2.gz VAMWGPGRDJNVAD-UHFFFAOYSA-N 0 0 344.252 5.943 10 0 EKAERN CCc1ccc(-c2nc3cc(CC)cc(Br)c3o2)cc1 ZINC000073639717 216404876 /nfs/dbraw/zinc/40/48/76/216404876.db2.gz QVBRQRSFTDIPME-UHFFFAOYSA-N 0 0 330.225 5.382 10 0 EKAERN CCc1ccc(-c2nc3cc(C(C)C)cc(Br)c3o2)cc1 ZINC000073639719 563931031 /nfs/dbraw/zinc/93/10/31/563931031.db2.gz XXXDBJFURQOAIC-UHFFFAOYSA-N 0 0 344.252 5.943 10 0 EKAERN Cc1ccc(-c2nc3cc(C(C)C)cc(Br)c3o2)cc1 ZINC000073639724 563931036 /nfs/dbraw/zinc/93/10/36/563931036.db2.gz TUGNJTWMEJKEGG-UHFFFAOYSA-N 0 0 330.225 5.689 10 0 EKAERN Cc1ccccc1-c1nc2cc(C(C)C)cc(Br)c2o1 ZINC000073639728 202369379 /nfs/dbraw/zinc/36/93/79/202369379.db2.gz YNLWQIGPIVWTMV-UHFFFAOYSA-N 0 0 330.225 5.689 10 0 EKAERN Cc1cccc(-c2nc3cc(C(C)C)cc(Br)c3o2)c1 ZINC000073639731 563931028 /nfs/dbraw/zinc/93/10/28/563931028.db2.gz OOIBRSLSEPLPHN-UHFFFAOYSA-N 0 0 330.225 5.689 10 0 EKAERN Cc1ccc(-c2nc3cc(C(C)C)cc(Br)c3o2)cc1C ZINC000073639737 563931042 /nfs/dbraw/zinc/93/10/42/563931042.db2.gz FFSBIOVCTORHRS-UHFFFAOYSA-N 0 0 344.252 5.998 10 0 EKAERN Cc1cc(C)cc(-c2nc3cc(C(C)C)cc(Br)c3o2)c1 ZINC000073639738 563931032 /nfs/dbraw/zinc/93/10/32/563931032.db2.gz POCXSIVWEPTROP-UHFFFAOYSA-N 0 0 344.252 5.998 10 0 EKAERN Cc1ccc(-c2nc3cc(C(C)C)cc(Br)c3o2)c(C)c1 ZINC000073639740 216404310 /nfs/dbraw/zinc/40/43/10/216404310.db2.gz HSFSIKMJZSUMDS-UHFFFAOYSA-N 0 0 344.252 5.998 10 0 EKAERN Clc1ccc2[nH]c(-c3cc(Br)ccc3Cl)nc2c1 ZINC000073639909 563931023 /nfs/dbraw/zinc/93/10/23/563931023.db2.gz OHKFXHZSQCRFPZ-UHFFFAOYSA-N 0 0 342.023 5.299 10 0 EKAERN Cc1cc2nc(-c3cc(Br)ccc3Cl)oc2cc1C ZINC000073639922 563931046 /nfs/dbraw/zinc/93/10/46/563931046.db2.gz QFFJTGZXOAOSKQ-UHFFFAOYSA-N 0 0 336.616 5.528 10 0 EKAERN Cc1ccc2nc(-c3cc(Br)ccc3Cl)oc2c1C ZINC000073639925 216405011 /nfs/dbraw/zinc/40/50/11/216405011.db2.gz QDLUZTDTYUOZNA-UHFFFAOYSA-N 0 0 336.616 5.528 10 0 EKAERN Clc1ccc(Cl)c(-c2nc3cc(-c4ccccc4)ccc3o2)c1 ZINC000073639949 563931058 /nfs/dbraw/zinc/93/10/58/563931058.db2.gz BRYNSHLVRBHHGF-UHFFFAOYSA-N 0 0 340.209 6.469 10 0 EKAERN Clc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)c(Cl)c1 ZINC000073639955 563931034 /nfs/dbraw/zinc/93/10/34/563931034.db2.gz GABFNEKZNHZSMV-UHFFFAOYSA-N 0 0 340.209 6.469 10 0 EKAERN Clc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1Cl ZINC000073639977 563931062 /nfs/dbraw/zinc/93/10/62/563931062.db2.gz ZXCXJOFRMCQUDQ-UHFFFAOYSA-N 0 0 340.209 6.469 10 0 EKAERN Cc1cc2oc(-c3ccc(-c4ccccc4)cc3)nc2c(C)c1Cl ZINC000073642159 202370246 /nfs/dbraw/zinc/37/02/46/202370246.db2.gz PZJXCUQLPVOIIJ-UHFFFAOYSA-N 0 0 333.818 6.432 10 0 EKAERN FC(F)(F)c1ccc(-c2nc(-c3ccccc3)cc(=S)[nH]2)cc1 ZINC000073695452 202371494 /nfs/dbraw/zinc/37/14/94/202371494.db2.gz FTUPARWYZJMOKT-UHFFFAOYSA-N 0 0 332.350 5.118 10 0 EKAERN CC(C)(C)c1ccc2c(Br)cnc(Br)c2c1 ZINC000074407208 563933051 /nfs/dbraw/zinc/93/30/51/563933051.db2.gz JYQNUUVMYDJXRV-UHFFFAOYSA-N 0 0 343.062 5.057 10 0 EKAERN O=C(Nc1c2ccccc2[nH]c1-c1ccc(F)cc1)NC1CCCC1 ZINC000075352881 564082054 /nfs/dbraw/zinc/08/20/54/564082054.db2.gz PEQOTCMBWQWEGQ-UHFFFAOYSA-N 0 0 337.398 5.038 10 0 EKAERN Oc1ccc(CNc2ccc(Cl)c(C(F)(F)F)c2)cc1Cl ZINC000076272378 202387212 /nfs/dbraw/zinc/38/72/12/202387212.db2.gz UPTDCBNGMHJERF-UHFFFAOYSA-N 0 0 336.140 5.330 10 0 EKAERN Oc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1Br ZINC000076275425 203345254 /nfs/dbraw/zinc/34/52/54/203345254.db2.gz CDMMIQMTQZBVGB-UHFFFAOYSA-N 0 0 347.039 5.074 10 0 EKAERN Oc1ccc(CNc2cc(Cl)ccc2Cl)cc1Br ZINC000076275432 203345963 /nfs/dbraw/zinc/34/59/63/203345963.db2.gz DVKVLJMDDDZLJO-UHFFFAOYSA-N 0 0 347.039 5.074 10 0 EKAERN CC[C@@H](c1ccc(OC)cc1)[C@@H](CC)[C@@H](C)c1ccc(OC)cc1 ZINC000077272376 203376564 /nfs/dbraw/zinc/37/65/64/203376564.db2.gz HRTJXPLKDGPKLQ-SSKFGXFMSA-N 0 0 326.480 6.027 10 0 in-vitro EKAERN CC[C@H](c1ccc(OC)cc1)[C@@H](CC)[C@@H](C)c1ccc(OC)cc1 ZINC000077272381 216861297 /nfs/dbraw/zinc/86/12/97/216861297.db2.gz HRTJXPLKDGPKLQ-WQTXXOFMSA-N 0 0 326.480 6.027 10 0 in-vitro EKAERN CC[C@@H](c1ccc(OC)cc1)[C@H](CC)[C@@H](C)c1ccc(OC)cc1 ZINC000077272386 563968681 /nfs/dbraw/zinc/96/86/81/563968681.db2.gz HRTJXPLKDGPKLQ-USCONSEESA-N 0 0 326.480 6.027 10 0 in-vitro EKAERN CC[C@H]([C@@H](C)c1ccc(OC)cc1)[C@H](CC)c1ccc(OC)cc1 ZINC000077272388 564064465 /nfs/dbraw/zinc/06/44/65/564064465.db2.gz HRTJXPLKDGPKLQ-KNXBSLHKSA-N 0 0 326.480 6.027 10 0 in-vitro EKAERN CCOC(=O)C[C@@H](C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C ZINC000077291957 203377803 /nfs/dbraw/zinc/37/78/03/203377803.db2.gz SXBLPRXQEOZCQE-QQBYYQQESA-N 0 0 330.512 6.161 10 0 in-vitro EKAERN CCOC(=O)C[C@H](C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C ZINC000077291958 203377697 /nfs/dbraw/zinc/37/76/97/203377697.db2.gz SXBLPRXQEOZCQE-RDPLCWAISA-N 0 0 330.512 6.161 10 0 in-vitro EKAERN CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC=C[C@H](F)[C@]4(C)[C@H]3CC[C@]12C ZINC000077292662 216865448 /nfs/dbraw/zinc/86/54/48/216865448.db2.gz AKXMLSPPIQRPMU-KFEVXASFSA-N 0 0 334.475 5.075 10 0 in-vitro EKAERN O=C(c1sc2ccccc2c1-c1ccc(O)cc1)c1ccc(O)cc1 ZINC000077301935 564064470 /nfs/dbraw/zinc/06/44/70/564064470.db2.gz YCHUQIIHHWWHLR-UHFFFAOYSA-N 0 0 346.407 5.211 10 0 in-vitro EKAERN COC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)[C@@H](OC)CCC1(C)C ZINC000077302418 216868131 /nfs/dbraw/zinc/86/81/31/216868131.db2.gz AQBIMXKUTLCCHG-ORGWOOJJSA-N 0 0 344.495 5.316 10 0 in-vitro EKAERN COC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)[C@H](OC)CCC1(C)C ZINC000077302423 563968902 /nfs/dbraw/zinc/96/89/02/563968902.db2.gz AQBIMXKUTLCCHG-CELDDMJTSA-N 0 0 344.495 5.316 10 0 in-vitro EKAERN Cc1ccccc1[C@@H](C)NC(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000078468814 217057258 /nfs/dbraw/zinc/05/72/58/217057258.db2.gz DCNGRCWVJAKDCP-LLVKDONJSA-N 0 0 340.320 5.036 10 0 EKAERN CCc1ccc([C@@H](C)NC(=O)Nc2c(C)cccc2OC(F)F)cc1 ZINC000078593081 217081477 /nfs/dbraw/zinc/08/14/77/217081477.db2.gz VLCQVNBCNIVYSN-CYBMUJFWSA-N 0 0 348.393 5.042 10 0 EKAERN CCc1ccc([C@H](C)NC(=O)Nc2c(C)cccc2OC(F)F)cc1 ZINC000078593084 217081480 /nfs/dbraw/zinc/08/14/80/217081480.db2.gz VLCQVNBCNIVYSN-ZDUSSCGKSA-N 0 0 348.393 5.042 10 0 EKAERN C[C@H](NC(=O)c1cccc(Cl)c1Cl)c1ccc(F)cc1Cl ZINC000078819962 217128503 /nfs/dbraw/zinc/12/85/03/217128503.db2.gz DIVAYVUNWDXUHZ-QMMMGPOBSA-N 0 0 346.616 5.277 10 0 EKAERN FC(F)(F)c1ccc(COCc2ccc(C(F)(F)F)cc2)cc1 ZINC000079424832 217223508 /nfs/dbraw/zinc/22/35/08/217223508.db2.gz LDGRTPLGYXKHRQ-UHFFFAOYSA-N 0 0 334.259 5.441 10 0 EKAERN O=C(c1cc(Br)ccc1Cl)c1cccc2ccccc21 ZINC000079904030 217263056 /nfs/dbraw/zinc/26/30/56/217263056.db2.gz GXOJTUYIFAEKQS-UHFFFAOYSA-N 0 0 345.623 5.487 10 0 EKAERN O[C@H](c1cc(Br)ccc1Cl)c1cccc2ccccc21 ZINC000079905493 202452084 /nfs/dbraw/zinc/45/20/84/202452084.db2.gz KWPQNVSDZKYZTK-KRWDZBQOSA-N 0 0 347.639 5.337 10 0 EKAERN CCOP(=O)(Cc1ccc(OCc2ccccc2)cc1)OCC ZINC000082171928 203500186 /nfs/dbraw/zinc/50/01/86/203500186.db2.gz LOPTXROLMDAJBT-UHFFFAOYSA-N 0 0 334.352 5.032 10 0 EKAERN Clc1ccccc1/C=C\c1nc2ccccc2n1Cc1ccccc1 ZINC000083296003 201367198 /nfs/dbraw/zinc/36/71/98/201367198.db2.gz GHKCVSVRDTUOQS-PFONDFGASA-N 0 0 344.845 5.908 10 0 EKAERN CCCC[C@@H](CC)Cc1cc(O)c(C[C@H](CC)CCCC)cc1O ZINC000084400820 217601994 /nfs/dbraw/zinc/60/19/94/217601994.db2.gz KLPWVZKDLHTFNQ-QZTJIDSGSA-N 0 0 334.544 6.616 10 0 EKAERN Clc1ccc2[nH]c(-c3ccc(-c4ccccc4Cl)o3)nc2c1 ZINC000085345282 564116067 /nfs/dbraw/zinc/11/60/67/564116067.db2.gz BKMFOYWZQDNTRQ-UHFFFAOYSA-N 0 0 329.186 5.797 10 0 EKAERN Clc1ccc(-c2ccc(-c3nc4cc(Cl)ccc4[nH]3)o2)cc1 ZINC000085345302 564116047 /nfs/dbraw/zinc/11/60/47/564116047.db2.gz OQLBIUWNJJPCOA-UHFFFAOYSA-N 0 0 329.186 5.797 10 0 EKAERN Cc1ccc2[nH]c(-c3ccc(-c4cccc(Cl)c4Cl)o3)nc2c1 ZINC000085345326 564116059 /nfs/dbraw/zinc/11/60/59/564116059.db2.gz NGOFSDLAIIXXMF-UHFFFAOYSA-N 0 0 343.213 6.105 10 0 EKAERN Cc1ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4Cl)o3)nc2c1 ZINC000085345334 564116030 /nfs/dbraw/zinc/11/60/30/564116030.db2.gz UTUXQRPTIBMFSH-UHFFFAOYSA-N 0 0 343.213 6.105 10 0 EKAERN Clc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)o2)c(Cl)c1 ZINC000085345340 564001220 /nfs/dbraw/zinc/00/12/20/564001220.db2.gz KXHQEKLQJXKEIS-UHFFFAOYSA-N 0 0 329.186 5.797 10 0 EKAERN Cc1ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2c1 ZINC000085345351 564116062 /nfs/dbraw/zinc/11/60/62/564116062.db2.gz AECJZSJDRGDLQN-UHFFFAOYSA-N 0 0 343.213 6.105 10 0 EKAERN Cc1ccc2[nH]c(-c3ccc(-c4ccc(Cl)c(Cl)c4)o3)nc2c1 ZINC000085345360 564116032 /nfs/dbraw/zinc/11/60/32/564116032.db2.gz QYAGHNPDONAIPT-UHFFFAOYSA-N 0 0 343.213 6.105 10 0 EKAERN c1ccc(Cn2nc(-c3ccccc3)c3cnc4ccccc4c32)cc1 ZINC000085346492 217659885 /nfs/dbraw/zinc/65/98/85/217659885.db2.gz NBLAXQHPNZNJEQ-UHFFFAOYSA-N 0 0 335.410 5.300 10 0 EKAERN COc1cccc(OC)c1P(C1CCCCC1)C1CCCCC1 ZINC000088267455 563760034 /nfs/dbraw/zinc/76/00/34/563760034.db2.gz STLWGOOPIMPZEC-UHFFFAOYSA-N 0 0 334.440 5.476 10 0 EKAERN CC/C=C/C/C=C/C/C=C\C/C=C\CCCCCCC(=O)OCC ZINC000090372629 217926113 /nfs/dbraw/zinc/92/61/13/217926113.db2.gz LKBDTOYINRNCSY-HLFNKCIWSA-N 0 0 332.528 6.695 10 0 EKAERN Cc1cc2occ(-c3nc4ccccc4s3)c(=O)c2cc1Cl ZINC000090377162 201371688 /nfs/dbraw/zinc/37/16/88/201371688.db2.gz AHVXUWODOAFBPB-UHFFFAOYSA-N 0 0 327.792 5.032 10 0 EKAERN Cc1ccc2c(c1)C(C)(C)[C@@H](C)C(=O)N2c1cnc2ccccc2c1 ZINC000090396756 135641985 /nfs/dbraw/zinc/64/19/85/135641985.db2.gz GQJLTCWATIRNQR-HNNXBMFYSA-N 0 0 330.431 5.135 10 0 EKAERN Cc1cccc(Nc2ccc(-c3ccc(-c4ccncc4)nc3)cc2)c1 ZINC000090398085 217928204 /nfs/dbraw/zinc/92/82/04/217928204.db2.gz DUSAVGDVGUFOKW-UHFFFAOYSA-N 0 0 337.426 5.863 10 0 EKAERN CCC[C@@]1(C)Cc2ccc(F)cc2N(c2cnc3ccccc3c2)C1=O ZINC000090416870 135642523 /nfs/dbraw/zinc/64/25/23/135642523.db2.gz MHOBPPUCWHDZSA-QFIPXVFZSA-N 0 0 348.421 5.401 10 0 EKAERN CCC[C@@]1(C)Cc2ccccc2N(c2cnc3ccccc3c2)C1=O ZINC000090416872 135642480 /nfs/dbraw/zinc/64/24/80/135642480.db2.gz UNTHFCONDMXLNT-QFIPXVFZSA-N 0 0 330.431 5.262 10 0 EKAERN CCCC[C@@H](CC)COc1ccc(-n2c(C)cc(=O)cc2C)cc1 ZINC000090426933 217929379 /nfs/dbraw/zinc/92/93/79/217929379.db2.gz IWGUTYJHQHUGDN-GOSISDBHSA-N 0 0 327.468 5.050 10 0 EKAERN CCCC[C@]1(C)Cc2ccccc2N(c2cnc3ccccc3c2)C1=O ZINC000090428386 135642392 /nfs/dbraw/zinc/64/23/92/135642392.db2.gz WEHFIGBBXOZINX-HSZRJFAPSA-N 0 0 344.458 5.652 10 0 EKAERN CCCC[C@@]1(C)Cc2ccccc2N(c2cnc3ccccc3c2)C1=O ZINC000090428390 534958390 /nfs/dbraw/zinc/95/83/90/534958390.db2.gz WEHFIGBBXOZINX-QHCPKHFHSA-N 0 0 344.458 5.652 10 0 EKAERN CCN(CC)c1ccc(-c2sc(=O)sc2-c2ccccc2)cc1 ZINC000090450066 201372208 /nfs/dbraw/zinc/37/22/08/201372208.db2.gz AFDTZMJQNQSMNH-UHFFFAOYSA-N 0 0 341.501 5.350 10 0 EKAERN O=c1c(/C=C/c2nc3ccccc3s2)coc2ccc(Cl)cc21 ZINC000090493594 217933516 /nfs/dbraw/zinc/93/35/16/217933516.db2.gz SPEHWIRQSYHXJJ-VMPITWQZSA-N 0 0 339.803 5.227 10 0 EKAERN Clc1c2cc(Cl)ccc2sc1-c1nnc(-c2ccccc2)o1 ZINC000090493695 201371843 /nfs/dbraw/zinc/37/18/43/201371843.db2.gz NIRWXOSYQSFUSV-UHFFFAOYSA-N 0 0 347.226 5.925 10 0 EKAERN CC1(C)Cc2c(Cl)cccc2N(c2cnc3ccccc3c2)C1=O ZINC000090494645 534943901 /nfs/dbraw/zinc/94/39/01/534943901.db2.gz ULUUUCQBLQVIPV-UHFFFAOYSA-N 0 0 336.822 5.135 10 0 EKAERN Clc1ccccc1[C@@H]1O[C@H]2CCCCN2[C@H]1c1ccccc1Cl ZINC000090494956 217933340 /nfs/dbraw/zinc/93/33/40/217933340.db2.gz PRJITYMHFJCKLK-FHWLQOOXSA-N 0 0 348.273 5.618 10 0 EKAERN Clc1nc2cccc(Br)c2cc1Cc1ccccc1 ZINC000090495467 201371860 /nfs/dbraw/zinc/37/18/60/201371860.db2.gz MMSMFFGPBNXOKG-UHFFFAOYSA-N 0 0 332.628 5.242 10 0 EKAERN Clc1cc(Nc2ccc(-c3nc4ccccc4s3)cc2)ccn1 ZINC000090495565 201371776 /nfs/dbraw/zinc/37/17/76/201371776.db2.gz KRNIYGNHGYXWAF-UHFFFAOYSA-N 0 0 337.835 5.755 10 0 EKAERN COc1ccc(-c2cc(-c3cccc(C)c3)n(-c3ccccc3)n2)cc1 ZINC000090547411 201371720 /nfs/dbraw/zinc/37/17/20/201371720.db2.gz CCMJVJLIRZHQPR-UHFFFAOYSA-N 0 0 340.426 5.523 10 0 EKAERN COc1ccc([C@@H]2C=C(c3ccccc3)N=C(c3ccccc3)O2)cc1 ZINC000090547521 217937563 /nfs/dbraw/zinc/93/75/63/217937563.db2.gz RKRIIPWGCOZPDQ-QFIPXVFZSA-N 0 0 341.410 5.254 10 0 EKAERN COc1ccc([C@H]2C=C(c3ccccc3)N=C(c3ccccc3)O2)cc1 ZINC000090547522 217937608 /nfs/dbraw/zinc/93/76/08/217937608.db2.gz RKRIIPWGCOZPDQ-JOCHJYFZSA-N 0 0 341.410 5.254 10 0 EKAERN Fc1cc(Br)ccc1-c1cccc2c(Cl)ccnc21 ZINC000090549065 217937582 /nfs/dbraw/zinc/93/75/82/217937582.db2.gz ATKFSZNKKSNRAG-UHFFFAOYSA-N 0 0 336.591 5.457 10 0 EKAERN Clc1nc2cc(Br)ccc2cc1Cc1ccccc1 ZINC000090550108 217938112 /nfs/dbraw/zinc/93/81/12/217938112.db2.gz YUQCGFZOLAXBGO-UHFFFAOYSA-N 0 0 332.628 5.242 10 0 EKAERN COc1cccc(Cn2nc3ccccc3c2-c2ccc(C)cc2)c1 ZINC000090554821 201372226 /nfs/dbraw/zinc/37/22/26/201372226.db2.gz VCYDKMOFJMFJBE-UHFFFAOYSA-N 0 0 328.415 5.069 10 0 EKAERN COc1ncc(-c2cccc(-c3ccccc3)c2)c2c(O)cccc12 ZINC000090555778 201371684 /nfs/dbraw/zinc/37/16/84/201371684.db2.gz SVWCTRMNYHZZSB-UHFFFAOYSA-N 0 0 327.383 5.283 10 0 EKAERN Cc1c2ccccc2sc1CCNC(=O)c1ccccc1C(F)F ZINC000090624380 201372170 /nfs/dbraw/zinc/37/21/70/201372170.db2.gz JCEGNYSEHDNVHK-UHFFFAOYSA-N 0 0 345.414 5.120 10 0 EKAERN Cc1cccc2c1C(C)(C)[C@@H](C)C(=O)N2c1cnc2ccccc2c1 ZINC000090660237 135642489 /nfs/dbraw/zinc/64/24/89/135642489.db2.gz BATZDUSNQPTDLT-HNNXBMFYSA-N 0 0 330.431 5.135 10 0 EKAERN Cc1cc(C)c(-c2[nH]c(C=O)c3cc(Br)ccc32)c(C)c1 ZINC000090668529 201372972 /nfs/dbraw/zinc/37/29/72/201372972.db2.gz IHXJVCVDLBNNAP-UHFFFAOYSA-N 0 0 342.236 5.335 10 0 EKAERN CC(C)Oc1c(-c2ccccc2C=O)cc(Cl)c2cccnc21 ZINC000090669403 201372947 /nfs/dbraw/zinc/37/29/47/201372947.db2.gz FQCMMFJVYMARNR-UHFFFAOYSA-N 0 0 325.795 5.155 10 0 EKAERN Cc1ccccc1-c1cc(-c2ccccc2C)c2cccnc2c1O ZINC000090698085 217950243 /nfs/dbraw/zinc/95/02/43/217950243.db2.gz SYABJUZBKFXKFI-UHFFFAOYSA-N 0 0 325.411 5.891 10 0 EKAERN CC(C)c1ccc2oc(-c3cc(-c4ccccc4)ccc3O)nc2c1 ZINC000090713947 201373108 /nfs/dbraw/zinc/37/31/08/201373108.db2.gz SRAGHZWNUQTSST-UHFFFAOYSA-N 0 0 329.399 5.991 10 0 EKAERN CC(C)CCC[C@@H](C)CCCCCCCCCOC(=O)C(C)C ZINC000090733604 217950952 /nfs/dbraw/zinc/95/09/52/217950952.db2.gz WEUUVFYXSHQOIT-FQEVSTJZSA-N 0 0 326.565 6.769 10 0 EKAERN c1ccc(-c2cc(NC3CCCCC3)nnc2-c2ccccc2)cc1 ZINC000090751774 217950821 /nfs/dbraw/zinc/95/08/21/217950821.db2.gz IWHCXEILPBEXAK-UHFFFAOYSA-N 0 0 329.447 5.555 10 0 EKAERN CC(C)(C)c1ccccc1Oc1ncccc1NCc1ccccc1 ZINC000090766357 217952468 /nfs/dbraw/zinc/95/24/68/217952468.db2.gz IKVRIKDXJYFBTB-UHFFFAOYSA-N 0 0 332.447 5.784 10 0 EKAERN FC(F)(F)Sc1ccc(Br)cc1C(F)(F)F ZINC000091252532 217986408 /nfs/dbraw/zinc/98/64/08/217986408.db2.gz XKYHKNBUMBIJKN-UHFFFAOYSA-N 0 0 325.071 5.080 10 0 EKAERN FC(F)(F)c1ccc(-c2ccnc(Cl)c2)c(C(F)(F)F)c1 ZINC000091365813 217998321 /nfs/dbraw/zinc/99/83/21/217998321.db2.gz SPEVYPUGXRHGPM-UHFFFAOYSA-N 0 0 325.639 5.440 10 0 EKAERN Cc1ccc2c(c1)C(C)(C)C[C@H](c1cccc(Br)c1)N2 ZINC000091691862 218048928 /nfs/dbraw/zinc/04/89/28/218048928.db2.gz VPEPFOKIZXODDJ-QGZVFWFLSA-N 0 0 330.269 5.592 10 0 EKAERN CC1(C)C[C@H](c2ccccc2Br)Nc2ccc(F)cc21 ZINC000091691870 218048958 /nfs/dbraw/zinc/04/89/58/218048958.db2.gz AQBQLFGAFURNSC-MRXNPFEDSA-N 0 0 334.232 5.423 10 0 EKAERN CC1(C)C[C@@H](c2ccccc2Br)Nc2ccc(F)cc21 ZINC000091691871 218049357 /nfs/dbraw/zinc/04/93/57/218049357.db2.gz AQBQLFGAFURNSC-INIZCTEOSA-N 0 0 334.232 5.423 10 0 EKAERN CC(C)Oc1nc2c(s1)c(Br)ccc2OC(C)(C)C ZINC000091692774 218048884 /nfs/dbraw/zinc/04/88/84/218048884.db2.gz LSGOCJDSLYFJFH-UHFFFAOYSA-N 0 0 344.274 5.023 10 0 EKAERN Brc1ccc2nc(NCC3CCCCC3)sc2c1 ZINC000093427542 218225840 /nfs/dbraw/zinc/22/58/40/218225840.db2.gz YTZURHIIXNHFEK-UHFFFAOYSA-N 0 0 325.275 5.051 10 0 EKAERN F[C@@H](CCSCC[C@H](F)Cc1ccccc1)Cc1ccccc1 ZINC000095081515 203711453 /nfs/dbraw/zinc/71/14/53/203711453.db2.gz STOCFRLUNDDQKW-PMACEKPBSA-N 0 0 334.475 5.661 10 0 EKAERN F[C@H](CCSCC[C@@H](F)Cc1ccccc1)Cc1ccccc1 ZINC000095081516 218274495 /nfs/dbraw/zinc/27/44/95/218274495.db2.gz STOCFRLUNDDQKW-WOJBJXKFSA-N 0 0 334.475 5.661 10 0 EKAERN Cc1ccc2nc(Nc3ccc(Br)cc3F)sc2c1 ZINC000095081691 218275207 /nfs/dbraw/zinc/27/52/07/218275207.db2.gz KGZYNZZPTHXZNB-UHFFFAOYSA-N 0 0 337.217 5.250 10 0 EKAERN Cc1sc(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000095081698 218274975 /nfs/dbraw/zinc/27/49/75/218274975.db2.gz RAPQQILNLZSNMI-UHFFFAOYSA-N 0 0 330.250 5.548 10 0 EKAERN Cc1sc(-c2cccs2)nc1-c1ccc(Br)cc1 ZINC000095081700 218274651 /nfs/dbraw/zinc/27/46/51/218274651.db2.gz QTEARBRHWPHQEY-UHFFFAOYSA-N 0 0 336.279 5.610 10 0 EKAERN Cc1sc(-c2ccc(Br)cc2)nc1-c1ccccc1 ZINC000095081701 218274388 /nfs/dbraw/zinc/27/43/88/218274388.db2.gz GNXTWEQAWBDMBE-UHFFFAOYSA-N 0 0 330.250 5.548 10 0 EKAERN Fc1ccccc1-c1csc(-c2ccc(Br)cc2)n1 ZINC000095081704 218275176 /nfs/dbraw/zinc/27/51/76/218275176.db2.gz XZSKBBVVYRSPHG-UHFFFAOYSA-N 0 0 334.213 5.379 10 0 EKAERN Cc1cccc2sc(Nc3ccc(Br)c(C)c3)nc21 ZINC000095081708 218275197 /nfs/dbraw/zinc/27/51/97/218275197.db2.gz DIRWPOOKDKUMNJ-UHFFFAOYSA-N 0 0 333.254 5.419 10 0 EKAERN Cc1sc(-c2cccc(Br)c2)nc1-c1ccccc1 ZINC000095081718 203711639 /nfs/dbraw/zinc/71/16/39/203711639.db2.gz HGPFCMFNSFMVNN-UHFFFAOYSA-N 0 0 330.250 5.548 10 0 EKAERN Cc1ccc2nc(Nc3ccc(C)cc3Br)sc2c1 ZINC000095081899 218274768 /nfs/dbraw/zinc/27/47/68/218274768.db2.gz AZZWTHXPWSCXHN-UHFFFAOYSA-N 0 0 333.254 5.419 10 0 EKAERN Cc1ccc(-c2csc(-c3cccc(Br)c3)n2)cc1 ZINC000095081908 203711409 /nfs/dbraw/zinc/71/14/09/203711409.db2.gz CGOXACHLHLHZPN-UHFFFAOYSA-N 0 0 330.250 5.548 10 0 EKAERN Fc1ccc(-c2csc(-c3cccc(Br)c3)n2)cc1 ZINC000095082339 218275116 /nfs/dbraw/zinc/27/51/16/218275116.db2.gz XSVMNIBCCPUHEJ-UHFFFAOYSA-N 0 0 334.213 5.379 10 0 EKAERN Fc1ccc(-c2nc(-c3ccccc3Br)cs2)cc1 ZINC000095082340 218275248 /nfs/dbraw/zinc/27/52/48/218275248.db2.gz XBAZRLZSSJYQGX-UHFFFAOYSA-N 0 0 334.213 5.379 10 0 EKAERN C[C@H](OCC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cccs1 ZINC000095089447 218279184 /nfs/dbraw/zinc/27/91/84/218279184.db2.gz OFCYWQZZNQKPAZ-GJZGRUSLSA-N 0 0 339.501 5.005 10 0 EKAERN C[C@@H](OCC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1cccs1 ZINC000095089448 218279132 /nfs/dbraw/zinc/27/91/32/218279132.db2.gz OFCYWQZZNQKPAZ-CABCVRRESA-N 0 0 339.501 5.005 10 0 EKAERN C[C@@H](OCC[C@H]1CCCCN1C(=O)OC(C)(C)C)c1cccs1 ZINC000095089450 218279139 /nfs/dbraw/zinc/27/91/39/218279139.db2.gz OFCYWQZZNQKPAZ-HUUCEWRRSA-N 0 0 339.501 5.005 10 0 EKAERN FC(F)(F)c1cnc(N2CCCC[C@H]2c2ccco2)c(Cl)c1 ZINC000095397849 218330568 /nfs/dbraw/zinc/33/05/68/218330568.db2.gz XHCOQEKQEDXEDE-LBPRGKRZSA-N 0 0 330.737 5.078 10 0 EKAERN FC(F)(F)c1cnc(N2CCCC[C@@H]2c2ccco2)c(Cl)c1 ZINC000095397850 218330853 /nfs/dbraw/zinc/33/08/53/218330853.db2.gz XHCOQEKQEDXEDE-GFCCVEGCSA-N 0 0 330.737 5.078 10 0 EKAERN Clc1ccccc1CN1CC=C(c2nc3ccccc3s2)CC1 ZINC000095539610 564117121 /nfs/dbraw/zinc/11/71/21/564117121.db2.gz JWSNGTPFUMQTQE-UHFFFAOYSA-N 0 0 340.879 5.239 10 0 EKAERN Cc1cc(Br)ccc1-c1nc(-c2ccccc2)cs1 ZINC000095561066 218436913 /nfs/dbraw/zinc/43/69/13/218436913.db2.gz FEUNUIJIHKASDX-UHFFFAOYSA-N 0 0 330.250 5.548 10 0 EKAERN COc1ccc2c(c1)CCN(c1ccccc1)[C@H]2c1ccccc1C ZINC000095762691 218448375 /nfs/dbraw/zinc/44/83/75/218448375.db2.gz ADQHJONCYPZWTG-QHCPKHFHSA-N 0 0 329.443 5.156 10 0 EKAERN Cc1cc(C)c(N(c2ccc(C=O)cc2)c2ccc(C=O)cc2)c(C)c1 ZINC000095829997 203768829 /nfs/dbraw/zinc/76/88/29/203768829.db2.gz VUFCRODFFXVXFN-UHFFFAOYSA-N 0 0 343.426 5.707 10 0 EKAERN CCc1cnc(-c2ccc(-c3ccccc3OC(F)(F)F)o2)cc1C ZINC000095883473 563977767 /nfs/dbraw/zinc/97/77/67/563977767.db2.gz FVHWHNWAHKXVJZ-UHFFFAOYSA-N 0 0 347.336 5.778 10 0 EKAERN Cc1c(C)n(-c2c(C)cc(Cl)cc2C)c2nc(C)nc(Cl)c12 ZINC000095919606 203769243 /nfs/dbraw/zinc/76/92/43/203769243.db2.gz FXONERAUUNYRJU-UHFFFAOYSA-N 0 0 334.250 5.269 10 0 EKAERN FC(F)(F)c1nn(-c2ccccc2)c2nc3ccc(Cl)cc3cc12 ZINC000095931059 218450653 /nfs/dbraw/zinc/45/06/53/218450653.db2.gz IHGLOPOJOUXBMF-UHFFFAOYSA-N 0 0 347.727 5.246 10 0 EKAERN CCCCCC1=C(C(=O)OCC)CC[C@H](C)N1Cc1ccccc1 ZINC000095933438 218450515 /nfs/dbraw/zinc/45/05/15/218450515.db2.gz XGLGCBZBQGNGLV-KRWDZBQOSA-N 0 0 329.484 5.068 10 0 EKAERN O=Cc1ccn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1 ZINC000095933585 203769696 /nfs/dbraw/zinc/76/96/96/203769696.db2.gz YVKILZUDRKTNJI-UHFFFAOYSA-N 0 0 337.422 5.141 10 0 EKAERN Cc1ccc(C(=O)c2ccc(C)c(C3CCC3)c2C)c(C)c1C1CCC1 ZINC000095933744 218451631 /nfs/dbraw/zinc/45/16/31/218451631.db2.gz VQQKZPNGWYMSST-UHFFFAOYSA-N 0 0 346.514 6.686 10 0 EKAERN Cc1ccc(C2CCC2)c(C)c1C(=O)c1c(C)ccc(C2CCC2)c1C ZINC000095933747 218451469 /nfs/dbraw/zinc/45/14/69/218451469.db2.gz DIPFARKHLAHFHO-UHFFFAOYSA-N 0 0 346.514 6.686 10 0 EKAERN O=C(c1cccc(F)c1C1CCC1)c1cccc(F)c1C1CCC1 ZINC000095933766 203769421 /nfs/dbraw/zinc/76/94/21/203769421.db2.gz KPGXUNSFYHANGK-UHFFFAOYSA-N 0 0 326.386 5.731 10 0 EKAERN O=C(c1ccc(F)cc1C1CCC1)c1ccc(F)cc1C1CCC1 ZINC000095933776 218451553 /nfs/dbraw/zinc/45/15/53/218451553.db2.gz JEIKPOQHXAUXIV-UHFFFAOYSA-N 0 0 326.386 5.731 10 0 EKAERN Cc1ccccc1[C@H](CC(=O)C[C@@H](c1ccccc1C)C1CC1)C1CC1 ZINC000095933977 218451125 /nfs/dbraw/zinc/45/11/25/218451125.db2.gz RNHMDSJAZJUWBE-JWQCQUIFSA-N 0 0 346.514 6.340 10 0 EKAERN Cc1cccc([C@H](CC(=O)C[C@@H](c2cccc(C)c2)C2CC2)C2CC2)c1 ZINC000095933996 218451350 /nfs/dbraw/zinc/45/13/50/218451350.db2.gz SCPMMVXBPHERSC-JWQCQUIFSA-N 0 0 346.514 6.340 10 0 EKAERN O=C(c1ccc(F)c(C2CC2)c1F)c1ccc(F)c(C2CC2)c1F ZINC000095934016 218450929 /nfs/dbraw/zinc/45/09/29/218450929.db2.gz ZZAYPCAZIYMLLU-UHFFFAOYSA-N 0 0 334.312 5.229 10 0 EKAERN c1ccc2cc(C3=C(c4ccc5ccccc5c4)CSC3)ccc2c1 ZINC000096336300 218744626 /nfs/dbraw/zinc/74/46/26/218744626.db2.gz OMKMBDQHQIXBSK-UHFFFAOYSA-N 0 0 338.475 6.651 10 0 EKAERN CCc1cccc(CC)c1NC(=O)/C=C\c1ccc(Cl)c(Cl)c1 ZINC000096507636 218881059 /nfs/dbraw/zinc/88/10/59/218881059.db2.gz TWLVDZOCPPZSCI-LUAWRHEFSA-N 0 0 348.273 5.770 10 0 EKAERN COc1ccc(-c2cn(C3=CCCCC3)c3cc(C)cc(C)c23)cc1 ZINC000097673594 219046131 /nfs/dbraw/zinc/04/61/31/219046131.db2.gz JAZRKOQRWXCTFD-UHFFFAOYSA-N 0 0 331.459 6.349 10 0 EKAERN O=C1CCCCN1c1cccc(SCc2ccccc2)c1Cl ZINC000097757676 219054917 /nfs/dbraw/zinc/05/49/17/219054917.db2.gz YDPRGESEMKBYFC-UHFFFAOYSA-N 0 0 331.868 5.149 10 0 EKAERN CCc1c(SCc2ccccc2)cccc1N1CCCCC1=O ZINC000097757678 219054638 /nfs/dbraw/zinc/05/46/38/219054638.db2.gz MHPSDTGLXLMQPU-UHFFFAOYSA-N 0 0 325.477 5.058 10 0 EKAERN O=C(Nc1ccc(Sc2cc(Cl)cc(Cl)c2)cc1)C1CC1 ZINC000097758789 219054357 /nfs/dbraw/zinc/05/43/57/219054357.db2.gz YXWMHOMEUAWBNN-UHFFFAOYSA-N 0 0 338.259 5.493 10 0 EKAERN O=C(C1(c2ccccc2F)CCC1)C1(c2ccccc2F)CCC1 ZINC000098090031 219083203 /nfs/dbraw/zinc/08/32/03/219083203.db2.gz ZZIPKSYDGSJQPH-UHFFFAOYSA-N 0 0 326.386 5.078 10 0 EKAERN CCCCCC[C@H](O)C/C=C\CCCCCCCC(=O)OC(C)C ZINC000098090644 219082715 /nfs/dbraw/zinc/08/27/15/219082715.db2.gz SDYPTODXHIAHDF-QKQONQEDSA-N 0 0 340.548 5.946 10 0 EKAERN CCCCCC[C@H](O)C/C=C/CCCCCCCC(=O)OC(C)C ZINC000098090645 219083140 /nfs/dbraw/zinc/08/31/40/219083140.db2.gz SDYPTODXHIAHDF-IXDOJHRFSA-N 0 0 340.548 5.946 10 0 EKAERN O=C([C@@H](c1ccccc1)C(F)(F)F)[C@H](c1ccccc1)C(F)(F)F ZINC000098090662 219082719 /nfs/dbraw/zinc/08/27/19/219082719.db2.gz LLVFASXAIVFWLJ-OKILXGFUSA-N 0 0 346.270 5.248 10 0 EKAERN O=C(C(c1ccccc1)C(F)(F)F)[C@H](c1ccccc1)C(F)(F)F ZINC000098090664 219082663 /nfs/dbraw/zinc/08/26/63/219082663.db2.gz LLVFASXAIVFWLJ-KBPBESRZSA-N 0 0 346.270 5.248 10 0 EKAERN O=Cc1ccc(-c2ccc(Cc3ccc(-c4ccccc4)cc3)cc2)cc1 ZINC000098177826 203987477 /nfs/dbraw/zinc/98/74/77/203987477.db2.gz ZSQIZAHITPRFFA-UHFFFAOYSA-N 0 0 348.445 6.424 10 0 EKAERN COc1cccc([C@@H](CCc2ccccc2)OCc2ccccc2)c1 ZINC000098177878 219086515 /nfs/dbraw/zinc/08/65/15/219086515.db2.gz FAPHLUGLAMPULG-HSZRJFAPSA-N 0 0 332.443 5.586 10 0 EKAERN COc1cccc([C@H](CCc2ccccc2)OCc2ccccc2)c1 ZINC000098177879 219086619 /nfs/dbraw/zinc/08/66/19/219086619.db2.gz FAPHLUGLAMPULG-QHCPKHFHSA-N 0 0 332.443 5.586 10 0 EKAERN O[C@@H](c1ccccc1)c1ccc(Nc2ccc3ccccc3c2)cc1 ZINC000098177894 203987295 /nfs/dbraw/zinc/98/72/95/203987295.db2.gz CYTSGBPBEFJLJL-QHCPKHFHSA-N 0 0 325.411 5.665 10 0 EKAERN O[C@H](c1ccccc1)c1ccc(Nc2ccc3ccccc3c2)cc1 ZINC000098177895 219086804 /nfs/dbraw/zinc/08/68/04/219086804.db2.gz CYTSGBPBEFJLJL-HSZRJFAPSA-N 0 0 325.411 5.665 10 0 EKAERN CCc1cc(Br)c(Nc2ccccc2)c2ccc(=O)[nH]c12 ZINC000098178134 203986627 /nfs/dbraw/zinc/98/66/27/203986627.db2.gz LDLPRQGIIUZXNK-UHFFFAOYSA-N 0 0 343.224 5.009 10 0 EKAERN O=Cc1cccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c1 ZINC000098178265 219086538 /nfs/dbraw/zinc/08/65/38/219086538.db2.gz MDTMWUGGPRVQTK-UHFFFAOYSA-N 0 0 334.418 6.500 10 0 EKAERN O=Cc1ccccc1-c1ccc(-c2ccc(-c3ccccc3)cc2)cc1 ZINC000098178266 219086448 /nfs/dbraw/zinc/08/64/48/219086448.db2.gz DQIHLUQKVIIOFE-UHFFFAOYSA-N 0 0 334.418 6.500 10 0 EKAERN O=Cc1ccc(-c2ccccc2-c2ccc(-c3ccccc3)cc2)cc1 ZINC000098178267 219086284 /nfs/dbraw/zinc/08/62/84/219086284.db2.gz YMWPEKJJYTWWIT-UHFFFAOYSA-N 0 0 334.418 6.500 10 0 EKAERN O=C(c1ccccc1)[C@H](c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000098178268 219086322 /nfs/dbraw/zinc/08/63/22/219086322.db2.gz JYXLALOINIPOMH-RUZDIDTESA-N 0 0 348.445 6.368 10 0 EKAERN O=C(c1ccccc1)[C@@H](c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000098178269 219086278 /nfs/dbraw/zinc/08/62/78/219086278.db2.gz JYXLALOINIPOMH-VWLOTQADSA-N 0 0 348.445 6.368 10 0 EKAERN O=C(Cc1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1 ZINC000098178270 219086390 /nfs/dbraw/zinc/08/63/90/219086390.db2.gz NYWYLAXUFKKKPP-UHFFFAOYSA-N 0 0 348.445 6.446 10 0 EKAERN O=C(c1ccccc1)[C@H](c1ccccc1)c1ccccc1-c1ccccc1 ZINC000098178271 219086401 /nfs/dbraw/zinc/08/64/01/219086401.db2.gz WNQRKUJDEJQGEE-RUZDIDTESA-N 0 0 348.445 6.368 10 0 EKAERN O=C(c1ccccc1)[C@@H](c1ccccc1)c1ccccc1-c1ccccc1 ZINC000098178272 219086687 /nfs/dbraw/zinc/08/66/87/219086687.db2.gz WNQRKUJDEJQGEE-VWLOTQADSA-N 0 0 348.445 6.368 10 0 EKAERN Nc1cc(Cl)c(Cl)cc1Oc1ccccc1-c1ccccc1 ZINC000098180115 219086467 /nfs/dbraw/zinc/08/64/67/219086467.db2.gz CAZUKVPURODVGR-UHFFFAOYSA-N 0 0 330.214 6.035 10 0 EKAERN CCCC(=O)c1ccc(NCc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000098180224 219086445 /nfs/dbraw/zinc/08/64/45/219086445.db2.gz SNURYXQBHWFHRX-UHFFFAOYSA-N 0 0 347.462 5.084 10 0 EKAERN Clc1nc(Cc2ccccc2)nc2scc(-c3ccccc3)c21 ZINC000098180530 219086635 /nfs/dbraw/zinc/08/66/35/219086635.db2.gz BNDCXJHCZDJTHK-UHFFFAOYSA-N 0 0 336.847 5.603 10 0 EKAERN Fc1cccc(-c2nc3scc(-c4ccccc4)c3c(Cl)n2)c1 ZINC000098180531 219086865 /nfs/dbraw/zinc/08/68/65/219086865.db2.gz ZBAAMXBOLOOOET-UHFFFAOYSA-N 0 0 340.810 5.818 10 0 EKAERN O=C1c2ccccc2Cc2c(Cl)c(Cl)c(Cl)c(Cl)c21 ZINC000098180832 203986789 /nfs/dbraw/zinc/98/67/89/203986789.db2.gz PFTMJVOBVKCJOY-UHFFFAOYSA-N 0 0 332.013 5.435 10 0 EKAERN Cc1cccc(-n2cc(-c3ccc(F)cc3)c3c2ncnc3Cl)c1 ZINC000098180960 219086669 /nfs/dbraw/zinc/08/66/69/219086669.db2.gz CUIGPCHXGVRYGB-UHFFFAOYSA-N 0 0 337.785 5.188 10 0 EKAERN CCCCCCOc1cc2nsnc2cc1OCCCCCC ZINC000098213348 219088095 /nfs/dbraw/zinc/08/80/95/219088095.db2.gz HEPDCSZQOKDHOR-UHFFFAOYSA-N 0 0 336.501 5.610 10 0 EKAERN CC[C@H]1CC[C@H](CC[C@H]2CC[C@H](c3ccc(F)c(F)c3)CC2)CC1 ZINC000100041623 203045912 /nfs/dbraw/zinc/04/59/12/203045912.db2.gz KYYJIBTUSXSVOK-QGFMHUBQSA-N 0 0 334.494 7.235 10 0 EKAERN CC(C)(C)CC(C)(C)c1ccc2ccccc2c1Nc1ccccc1 ZINC000100051315 219088982 /nfs/dbraw/zinc/08/89/82/219088982.db2.gz NIMCSFUFFFUJQM-UHFFFAOYSA-N 0 0 331.503 7.297 10 0 EKAERN CCC[C@H]1CC[C@H](c2ccc(I)cc2)CC1 ZINC000100057564 219090274 /nfs/dbraw/zinc/09/02/74/219090274.db2.gz QBYHVVBZXPJPKK-BETUJISGSA-N 0 0 328.237 5.365 10 0 EKAERN c1ccc(-c2nc3ccn(Cc4ccc5ccccc5c4)cc-3n2)cc1 ZINC000100065376 219089681 /nfs/dbraw/zinc/08/96/81/219089681.db2.gz UEWSPXCXZLBYKE-UHFFFAOYSA-N 0 0 335.410 5.251 10 0 EKAERN c1ccc(CCCCn2ccc3nc(-c4ccccc4)nc-3c2)cc1 ZINC000100065507 219090285 /nfs/dbraw/zinc/09/02/85/219090285.db2.gz SJSHOZIEZBEJEF-UHFFFAOYSA-N 0 0 327.431 5.073 10 0 EKAERN c1ccc(-c2nc3ccn(Cc4cccc5ccccc54)cc-3n2)cc1 ZINC000100065594 219090172 /nfs/dbraw/zinc/09/01/72/219090172.db2.gz XOJOAELDPAJCPP-UHFFFAOYSA-N 0 0 335.410 5.251 10 0 EKAERN CCCCn1c(-c2ccc(Cl)cc2)cs/c1=N/c1ccccc1 ZINC000100176750 219093463 /nfs/dbraw/zinc/09/34/63/219093463.db2.gz QZIXMFSJPVNMSS-XUTLUUPISA-N 0 0 342.895 5.903 10 0 EKAERN O=C1OC(=CNc2ccc(Oc3ccccc3)cc2)c2ccccc21 ZINC000100438656 203994355 /nfs/dbraw/zinc/99/43/55/203994355.db2.gz FKDRBDCNSHTDTO-XSFVSMFZSA-N 0 0 329.355 5.060 10 0 aggregator EKAERN Cc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccco2)cc1 ZINC000100886651 219110366 /nfs/dbraw/zinc/11/03/66/219110366.db2.gz LRGCVWXWBJYEHM-DQRAZIAOSA-N 0 0 346.455 5.399 10 0 EKAERN CC(C)N1c2cc(Cl)ccc2N=C(c2ccccc2Cl)CC1=O ZINC000100898190 219110319 /nfs/dbraw/zinc/11/03/19/219110319.db2.gz BKPTUXBCAOVMEH-UHFFFAOYSA-N 0 0 347.245 5.259 10 0 EKAERN CC(C)C1CC[C@@H](C)[C@@]2(C[C@@H]2c2ccc(-c3ccccc3)cc2)C1=O ZINC000100948614 219111803 /nfs/dbraw/zinc/11/18/03/219111803.db2.gz ZXHJFVNGUBKKQO-CUHUQNRHSA-N 0 0 332.487 6.725 10 0 EKAERN CC(C)C1CC[C@H](C)[C@@]2(C[C@@H]2c2ccc(-c3ccccc3)cc2)C1=O ZINC000100948618 564017121 /nfs/dbraw/zinc/01/71/21/564017121.db2.gz ZXHJFVNGUBKKQO-VXWZWFMZSA-N 0 0 332.487 6.725 10 0 EKAERN Cc1ccc(C)c(CN2c3cc(C)c(C)cc3N=C3CCC[C@@H]3C2=O)c1 ZINC000101945999 219174485 /nfs/dbraw/zinc/17/44/85/219174485.db2.gz VFGSGRVJZOAKAQ-IBGZPJMESA-N 0 0 346.474 5.340 10 0 EKAERN Cc1ccc(C)c(CN2c3cc(C)c(C)cc3N=C3CCC[C@H]3C2=O)c1 ZINC000101946004 219174561 /nfs/dbraw/zinc/17/45/61/219174561.db2.gz VFGSGRVJZOAKAQ-LJQANCHMSA-N 0 0 346.474 5.340 10 0 EKAERN CCCCCCCCCCCCCCCC[N+](C)(C)CCC(=O)[O-] ZINC000102239202 717145846 /nfs/dbraw/zinc/14/58/46/717145846.db2.gz UQWLXAFTKJLLRL-UHFFFAOYSA-O 0 0 342.588 6.019 10 0 EKAERN CCCCCCCCCCCCCCC[N+](C)(C)CCCC(=O)[O-] ZINC000102239219 717145860 /nfs/dbraw/zinc/14/58/60/717145860.db2.gz XFHYQIWWBAVJDM-UHFFFAOYSA-O 0 0 342.588 6.019 10 0 EKAERN CCCCCCCCCCCC[N+](C)(C)CCCCCC(=O)[O-] ZINC000102239236 717145857 /nfs/dbraw/zinc/14/58/57/717145857.db2.gz BUFVMHYCMFITOB-UHFFFAOYSA-O 0 0 328.561 5.629 10 0 EKAERN CCCCCCCCCCCC[N+](C)(C)CCCCCCC(=O)[O-] ZINC000102239244 717145850 /nfs/dbraw/zinc/14/58/50/717145850.db2.gz KOIDLXBIUVRLHP-UHFFFAOYSA-O 0 0 342.588 6.019 10 0 EKAERN CCCCCCCCCCCCCC[N+](C)(C)CCCC(=O)[O-] ZINC000102239260 717145859 /nfs/dbraw/zinc/14/58/59/717145859.db2.gz IDPWQVMSHKEORI-UHFFFAOYSA-O 0 0 328.561 5.629 10 0 EKAERN c1csc(-c2cs/c(=N\c3ccccc3)n2Cc2ccccc2)c1 ZINC000102476744 219206260 /nfs/dbraw/zinc/20/62/60/219206260.db2.gz FIGCNIDUGRNPNV-MRCUWXFGSA-N 0 0 348.496 5.559 10 0 EKAERN CCn1c(-c2ccccc2)cs/c1=N/c1cccc2ccccc21 ZINC000102626369 219215778 /nfs/dbraw/zinc/21/57/78/219215778.db2.gz DALIEISLZXFPLE-QURGRASLSA-N 0 0 330.456 5.622 10 0 EKAERN Clc1ccc([C@H]2N(Cc3ccccc3)CC[C@H]3CCCCN32)cc1 ZINC000102921891 219241226 /nfs/dbraw/zinc/24/12/26/219241226.db2.gz QVXUFKFRUBHNBC-RTWAWAEBSA-N 0 0 340.898 5.099 10 0 EKAERN BrC(Br)=Cc1ccc(-c2ccccc2)cc1 ZINC000102996901 219246844 /nfs/dbraw/zinc/24/68/44/219246844.db2.gz XQTDLYPAWCZEIS-UHFFFAOYSA-N 0 0 338.042 5.442 10 0 EKAERN Cc1c(-c2ccccc2)sc(N)c1C(=O)c1ccc(Cl)cc1 ZINC000103229433 219272648 /nfs/dbraw/zinc/27/26/48/219272648.db2.gz LEWBVFYFZMZJOY-UHFFFAOYSA-N 0 0 327.836 5.190 10 0 EKAERN CC1(C)CCC(NC(=O)c2cc3c(cc(Cl)cc3Cl)[nH]2)CC1 ZINC000103285439 219283832 /nfs/dbraw/zinc/28/38/32/219283832.db2.gz NKNGAORFGPSYJG-UHFFFAOYSA-N 0 0 339.266 5.173 10 0 EKAERN Cc1ccc2c(c1)c1nnc(-c3ccccc3)c-1cn2Cc1ccccc1 ZINC000103649603 219318526 /nfs/dbraw/zinc/31/85/26/219318526.db2.gz WBMRAUZHOUEZQA-UHFFFAOYSA-N 0 0 349.437 5.560 10 0 EKAERN CC(C)c1nnc(Cl)n1-c1cc(Cl)c(Cl)cc1Cl ZINC000103927877 204089114 /nfs/dbraw/zinc/08/91/14/204089114.db2.gz NTBGHNFZZOHVCG-UHFFFAOYSA-N 0 0 325.026 5.004 10 0 EKAERN Clc1cc(Cl)c2nc3c(c(Cl)c2c1Cl)CCCCC3 ZINC000103930562 219330460 /nfs/dbraw/zinc/33/04/60/219330460.db2.gz VFOIATPJYVLEJJ-UHFFFAOYSA-N 0 0 335.061 6.117 10 0 EKAERN Clc1cc(Br)cc2c(Cl)c3c(nc12)CCCC3 ZINC000103933510 219330580 /nfs/dbraw/zinc/33/05/80/219330580.db2.gz ZTWUOULAAIBNDF-UHFFFAOYSA-N 0 0 331.040 5.183 10 0 EKAERN CC(C)(C)c1cc(Cl)c2c(Br)ccc(Cl)c2n1 ZINC000103933520 219330144 /nfs/dbraw/zinc/33/01/44/219330144.db2.gz NERGTZLUWGDCEE-UHFFFAOYSA-N 0 0 333.056 5.602 10 0 EKAERN Cc1ccc(N[C@@H](C)c2ccc(Br)s2)cc1Cl ZINC000103934180 204088721 /nfs/dbraw/zinc/08/87/21/204088721.db2.gz CCRSKXNZANPBRE-VIFPVBQESA-N 0 0 330.678 5.646 10 0 EKAERN Cc1ccc(N[C@H](C)c2ccc(Br)s2)cc1Cl ZINC000103934183 219330395 /nfs/dbraw/zinc/33/03/95/219330395.db2.gz CCRSKXNZANPBRE-SECBINFHSA-N 0 0 330.678 5.646 10 0 EKAERN O=C(Cc1cccc(Br)c1)c1cccc(Cl)c1Cl ZINC000103935156 219330366 /nfs/dbraw/zinc/33/03/66/219330366.db2.gz MCVTYNOHLJEWMV-UHFFFAOYSA-N 0 0 344.035 5.181 10 0 EKAERN O[C@H](Cc1ccc(Cl)cc1Cl)c1ccccc1Br ZINC000103935204 219330357 /nfs/dbraw/zinc/33/03/57/219330357.db2.gz YWDJFJOYGVZWTM-CQSZACIVSA-N 0 0 346.051 5.032 10 0 EKAERN O[C@@H](Cc1ccc(Cl)cc1Cl)c1ccccc1Br ZINC000103935205 204089416 /nfs/dbraw/zinc/08/94/16/204089416.db2.gz YWDJFJOYGVZWTM-AWEZNQCLSA-N 0 0 346.051 5.032 10 0 EKAERN Cc1nc(-c2cc(Br)cs2)nc(Cl)c1C(C)C ZINC000103936172 219330381 /nfs/dbraw/zinc/33/03/81/219330381.db2.gz AGOJAPCJNLMWET-UHFFFAOYSA-N 0 0 331.666 5.053 10 0 EKAERN O=C(Cc1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1Cl ZINC000103936316 219330603 /nfs/dbraw/zinc/33/06/03/219330603.db2.gz BUDGOQSCYXNXAS-UHFFFAOYSA-N 0 0 334.029 5.726 10 0 EKAERN O=C(CSc1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000103937667 204090619 /nfs/dbraw/zinc/09/06/19/204090619.db2.gz CPHWJOPCTBOCHH-UHFFFAOYSA-N 0 0 341.657 5.078 10 0 EKAERN CC(C)(C)[C@@H]1CCC(=O)[C@H](Cc2ccc(Br)s2)C1 ZINC000103938812 219330128 /nfs/dbraw/zinc/33/01/28/219330128.db2.gz QCCAYYBEBIFZAM-WDEREUQCSA-N 0 0 329.303 5.085 10 0 EKAERN CC(C)(C)[C@H]1CCC(=O)[C@H](Cc2ccc(Br)s2)C1 ZINC000103938817 219330418 /nfs/dbraw/zinc/33/04/18/219330418.db2.gz QCCAYYBEBIFZAM-QWRGUYRKSA-N 0 0 329.303 5.085 10 0 EKAERN CC(C)(C)[C@@H]1CCC(=O)[C@@H](Cc2ccc(Br)s2)C1 ZINC000103938822 219330599 /nfs/dbraw/zinc/33/05/99/219330599.db2.gz QCCAYYBEBIFZAM-GHMZBOCLSA-N 0 0 329.303 5.085 10 0 EKAERN CC(C)(C)[C@H]1CCC(=O)[C@@H](Cc2ccc(Br)s2)C1 ZINC000103938825 219330420 /nfs/dbraw/zinc/33/04/20/219330420.db2.gz QCCAYYBEBIFZAM-MNOVXSKESA-N 0 0 329.303 5.085 10 0 EKAERN CCC(=O)c1ccc(-c2cc(Br)ccc2Cl)s1 ZINC000103941422 219331278 /nfs/dbraw/zinc/33/12/78/219331278.db2.gz KTKQIGNLDBMBTK-UHFFFAOYSA-N 0 0 329.646 5.424 10 0 EKAERN C[C@@](O)(c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 ZINC000103941824 204090544 /nfs/dbraw/zinc/09/05/44/204090544.db2.gz CRSJRHAAQNDUMJ-CQSZACIVSA-N 0 0 346.051 5.012 10 0 EKAERN C[C@](O)(c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 ZINC000103941827 219331101 /nfs/dbraw/zinc/33/11/01/219331101.db2.gz CRSJRHAAQNDUMJ-AWEZNQCLSA-N 0 0 346.051 5.012 10 0 EKAERN CCCc1nc(N)sc1Cc1c(Cl)cc(Cl)cc1Cl ZINC000103942748 219331014 /nfs/dbraw/zinc/33/10/14/219331014.db2.gz VBTSQFHMGUHYEX-UHFFFAOYSA-N 0 0 335.687 5.229 10 0 EKAERN Nc1ccc(Nc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000103942939 219331573 /nfs/dbraw/zinc/33/15/73/219331573.db2.gz ZVMWJZKXXLQYHK-UHFFFAOYSA-N 0 0 332.028 5.082 10 0 EKAERN C[C@@](O)(c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 ZINC000103943042 219331254 /nfs/dbraw/zinc/33/12/54/219331254.db2.gz KDGZJINMAFERFU-CQSZACIVSA-N 0 0 346.051 5.012 10 0 EKAERN C[C@](O)(c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1 ZINC000103943044 219331614 /nfs/dbraw/zinc/33/16/14/219331614.db2.gz KDGZJINMAFERFU-AWEZNQCLSA-N 0 0 346.051 5.012 10 0 EKAERN C[C@@](O)(c1ccc(Cl)c(Cl)c1)c1ccccc1Br ZINC000103944446 219330823 /nfs/dbraw/zinc/33/08/23/219330823.db2.gz QWUQVPATKVIWHN-CQSZACIVSA-N 0 0 346.051 5.012 10 0 EKAERN C[C@](O)(c1ccc(Cl)c(Cl)c1)c1ccccc1Br ZINC000103944449 219331495 /nfs/dbraw/zinc/33/14/95/219331495.db2.gz QWUQVPATKVIWHN-AWEZNQCLSA-N 0 0 346.051 5.012 10 0 EKAERN Fc1ccc(Br)c2c(Cl)c3c(nc12)CCCCC3 ZINC000103945952 204090540 /nfs/dbraw/zinc/09/05/40/204090540.db2.gz LVCYAVDCWRHDFL-UHFFFAOYSA-N 0 0 328.612 5.059 10 0 EKAERN O=C(CSc1cccc(Br)c1)c1ccccc1Cl ZINC000103947857 219331781 /nfs/dbraw/zinc/33/17/81/219331781.db2.gz PDPQBQCVPQJMSJ-UHFFFAOYSA-N 0 0 341.657 5.078 10 0 EKAERN O[C@H](Cc1ccc(Cl)cc1Cl)c1cccc(Cl)c1Cl ZINC000103948133 219332421 /nfs/dbraw/zinc/33/24/21/219332421.db2.gz JBGLHWOYKXRDDP-CYBMUJFWSA-N 0 0 336.045 5.576 10 0 EKAERN COc1ccc(Br)c2c(Cl)c(C(C)C)c(C)nc12 ZINC000103951132 204090673 /nfs/dbraw/zinc/09/06/73/204090673.db2.gz XNLNQVKQZNDXGO-UHFFFAOYSA-N 0 0 328.637 5.091 10 0 EKAERN O=C(Cc1c(Cl)cccc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000103951359 219332299 /nfs/dbraw/zinc/33/22/99/219332299.db2.gz STSFGZQHUZFBQN-UHFFFAOYSA-N 0 0 334.029 5.726 10 0 EKAERN O[C@@H](Cc1ccc(Cl)c(Cl)c1)c1cc(Cl)ccc1Cl ZINC000103951416 219331726 /nfs/dbraw/zinc/33/17/26/219331726.db2.gz ITJJFHWQSFQHOK-AWEZNQCLSA-N 0 0 336.045 5.576 10 0 EKAERN O[C@H](Cc1ccc(Cl)c(Cl)c1)c1cc(Cl)ccc1Cl ZINC000103951420 219331960 /nfs/dbraw/zinc/33/19/60/219331960.db2.gz ITJJFHWQSFQHOK-CQSZACIVSA-N 0 0 336.045 5.576 10 0 EKAERN C[C@H](Nc1cccc2ccccc21)c1ccc(Br)s1 ZINC000103951802 219332133 /nfs/dbraw/zinc/33/21/33/219332133.db2.gz ZZYTVMBVVLDBOW-NSHDSACASA-N 0 0 332.266 5.837 10 0 EKAERN CCSc1ccccc1N[C@@H](C)c1ccccc1Br ZINC000103967994 219334184 /nfs/dbraw/zinc/33/41/84/219334184.db2.gz NAUOFJJRXOEKDK-LBPRGKRZSA-N 0 0 336.298 5.734 10 0 EKAERN CCSc1ccccc1N[C@H](C)c1ccccc1Br ZINC000103968000 219334258 /nfs/dbraw/zinc/33/42/58/219334258.db2.gz NAUOFJJRXOEKDK-GFCCVEGCSA-N 0 0 336.298 5.734 10 0 EKAERN C[C@H](Nc1cc(Br)ccc1Cl)c1ccc(F)cc1F ZINC000103968385 219333800 /nfs/dbraw/zinc/33/38/00/219333800.db2.gz SNASOCMZKYUOCC-QMMMGPOBSA-N 0 0 346.602 5.554 10 0 EKAERN C[C@@H](Nc1cc(Br)ccc1Cl)c1ccc(F)cc1F ZINC000103968388 219333709 /nfs/dbraw/zinc/33/37/09/219333709.db2.gz SNASOCMZKYUOCC-MRVPVSSYSA-N 0 0 346.602 5.554 10 0 EKAERN C[C@H](Nc1cc(Br)ccc1Cl)c1cc(F)ccc1F ZINC000103968394 219334519 /nfs/dbraw/zinc/33/45/19/219334519.db2.gz LBTXICHVIJNGEO-QMMMGPOBSA-N 0 0 346.602 5.554 10 0 EKAERN C[C@@H](Nc1cc(Br)ccc1Cl)c1cc(F)ccc1F ZINC000103968397 219333745 /nfs/dbraw/zinc/33/37/45/219333745.db2.gz LBTXICHVIJNGEO-MRVPVSSYSA-N 0 0 346.602 5.554 10 0 EKAERN Fc1ccc(CSc2ccc3c(c2)CCC3)cc1Br ZINC000103968601 219333978 /nfs/dbraw/zinc/33/39/78/219333978.db2.gz AQZUBPIDTRVFTE-UHFFFAOYSA-N 0 0 337.257 5.369 10 0 EKAERN CCSc1ccccc1N[C@@H](C)c1ccc(Br)cc1 ZINC000103969763 219334084 /nfs/dbraw/zinc/33/40/84/219334084.db2.gz MOMLCAPLRMUNSS-LBPRGKRZSA-N 0 0 336.298 5.734 10 0 EKAERN CCSc1ccccc1N[C@H](C)c1ccc(Br)cc1 ZINC000103969767 219333832 /nfs/dbraw/zinc/33/38/32/219333832.db2.gz MOMLCAPLRMUNSS-GFCCVEGCSA-N 0 0 336.298 5.734 10 0 EKAERN CCC1CCC(C[NH2+][C@H](C)c2sccc2Br)CC1 ZINC000103971474 219334278 /nfs/dbraw/zinc/33/42/78/219334278.db2.gz YGXHLNVIIRIYAH-PNESKVBLSA-N 0 0 330.335 5.378 10 0 EKAERN CC(C)(C)[C@@H]1CCCC[C@@H]1Nc1cc(Br)ccc1Cl ZINC000103971772 219334514 /nfs/dbraw/zinc/33/45/14/219334514.db2.gz VPCZKANCLCFJOH-OCCSQVGLSA-N 0 0 344.724 6.119 10 0 EKAERN CC(C)(C)[C@H]1CCCC[C@@H]1Nc1cc(Br)ccc1Cl ZINC000103971773 219334201 /nfs/dbraw/zinc/33/42/01/219334201.db2.gz VPCZKANCLCFJOH-JSGCOSHPSA-N 0 0 344.724 6.119 10 0 EKAERN CC(C)(C)[C@@H]1CCCC[C@H]1Nc1cc(Br)ccc1Cl ZINC000103971775 219333884 /nfs/dbraw/zinc/33/38/84/219333884.db2.gz VPCZKANCLCFJOH-TZMCWYRMSA-N 0 0 344.724 6.119 10 0 EKAERN CC(C)(C)[C@H]1CCCC[C@H]1Nc1cc(Br)ccc1Cl ZINC000103971779 219334485 /nfs/dbraw/zinc/33/44/85/219334485.db2.gz VPCZKANCLCFJOH-GXTWGEPZSA-N 0 0 344.724 6.119 10 0 EKAERN Cc1ccc(NCc2csc3ccccc23)cc1Br ZINC000103971816 219333879 /nfs/dbraw/zinc/33/38/79/219333879.db2.gz ZNSNLGUWVSTHBL-UHFFFAOYSA-N 0 0 332.266 5.584 10 0 EKAERN Cc1cc(OCc2cc(Br)cs2)ccc1C(C)C ZINC000103971913 219333701 /nfs/dbraw/zinc/33/37/01/219333701.db2.gz VEFDPYKLFZLVHD-UHFFFAOYSA-N 0 0 325.271 5.521 10 0 EKAERN Brc1ccsc1CSc1ccc2ccccc2c1 ZINC000103971948 219333717 /nfs/dbraw/zinc/33/37/17/219333717.db2.gz XCAYOZCONQOSIB-UHFFFAOYSA-N 0 0 335.291 5.956 10 0 EKAERN CCCC1CCC([NH2+]Cc2ccc(Br)cc2F)CC1 ZINC000103973040 219333951 /nfs/dbraw/zinc/33/39/51/219333951.db2.gz KQNLZKJMQBIDGY-UHFFFAOYSA-N 0 0 328.269 5.037 10 0 EKAERN C[C@@H]1C[C@@H]1c1ccc(CNc2cc(Br)ccc2Cl)o1 ZINC000103973322 219333792 /nfs/dbraw/zinc/33/37/92/219333792.db2.gz AXNDATOWIIZZHB-SKDRFNHKSA-N 0 0 340.648 5.431 10 0 EKAERN C[C@H]1C[C@@H]1c1ccc(CNc2cc(Br)ccc2Cl)o1 ZINC000103973328 219334115 /nfs/dbraw/zinc/33/41/15/219334115.db2.gz AXNDATOWIIZZHB-CABZTGNLSA-N 0 0 340.648 5.431 10 0 EKAERN C[C@@H]1C[C@H]1c1ccc(CNc2cc(Br)ccc2Cl)o1 ZINC000103973333 219334077 /nfs/dbraw/zinc/33/40/77/219334077.db2.gz AXNDATOWIIZZHB-BXKDBHETSA-N 0 0 340.648 5.431 10 0 EKAERN C[C@H]1C[C@H]1c1ccc(CNc2cc(Br)ccc2Cl)o1 ZINC000103973338 219334480 /nfs/dbraw/zinc/33/44/80/219334480.db2.gz AXNDATOWIIZZHB-JOYOIKCWSA-N 0 0 340.648 5.431 10 0 EKAERN COc1ccc(Cl)cc1CNc1ccc(C)c(Br)c1 ZINC000103973370 219333767 /nfs/dbraw/zinc/33/37/67/219333767.db2.gz BEGNCWQSLPGNMG-UHFFFAOYSA-N 0 0 340.648 5.032 10 0 EKAERN Cc1ccc(N[C@H](C)c2ccc(F)cc2Cl)cc1Br ZINC000103973382 206479601 /nfs/dbraw/zinc/47/96/01/206479601.db2.gz FXIMALFVODCGTD-SNVBAGLBSA-N 0 0 342.639 5.723 10 0 EKAERN Clc1ccc(Oc2ccc(Br)cn2)c2ccccc12 ZINC000103973436 219334724 /nfs/dbraw/zinc/33/47/24/219334724.db2.gz PTWUYMWVOGARJN-UHFFFAOYSA-N 0 0 334.600 5.443 10 0 EKAERN CC(C)(C)c1ccc(OCc2ccc(Br)s2)cc1 ZINC000103973510 219334960 /nfs/dbraw/zinc/33/49/60/219334960.db2.gz XLERGMQDDWDGKT-UHFFFAOYSA-N 0 0 325.271 5.387 10 0 EKAERN C[C@@H]1C[C@H](OCc2ccc(F)cc2Br)CC(C)(C)C1 ZINC000103973523 204092539 /nfs/dbraw/zinc/09/25/39/204092539.db2.gz KIHIAYHBRWVWKK-RISCZKNCSA-N 0 0 329.253 5.320 10 0 EKAERN C[C@H]1C[C@H](OCc2ccc(F)cc2Br)CC(C)(C)C1 ZINC000103973527 219334804 /nfs/dbraw/zinc/33/48/04/219334804.db2.gz KIHIAYHBRWVWKK-FZMZJTMJSA-N 0 0 329.253 5.320 10 0 EKAERN C[C@@H]1C[C@@H](OCc2ccc(F)cc2Br)CC(C)(C)C1 ZINC000103973532 219335591 /nfs/dbraw/zinc/33/55/91/219335591.db2.gz KIHIAYHBRWVWKK-BXUZGUMPSA-N 0 0 329.253 5.320 10 0 EKAERN C[C@H]1C[C@@H](OCc2ccc(F)cc2Br)CC(C)(C)C1 ZINC000103973535 219335532 /nfs/dbraw/zinc/33/55/32/219335532.db2.gz KIHIAYHBRWVWKK-SMDDNHRTSA-N 0 0 329.253 5.320 10 0 EKAERN Cc1ccc(OCc2ccc(F)c(Br)c2)c(Cl)c1 ZINC000103973556 219335296 /nfs/dbraw/zinc/33/52/96/219335296.db2.gz OEZQYELIGVQBKT-UHFFFAOYSA-N 0 0 329.596 5.129 10 0 EKAERN CCC[C@H](Nc1cc(Br)ccc1Cl)c1ccccc1 ZINC000103975000 219335170 /nfs/dbraw/zinc/33/51/70/219335170.db2.gz WVXCONBJUCIOAZ-HNNXBMFYSA-N 0 0 338.676 6.056 10 0 EKAERN CCC[C@@H](Nc1cc(Br)ccc1Cl)c1ccccc1 ZINC000103975004 219335329 /nfs/dbraw/zinc/33/53/29/219335329.db2.gz WVXCONBJUCIOAZ-OAHLLOKOSA-N 0 0 338.676 6.056 10 0 EKAERN COc1ccc(CSc2cccc(Cl)c2)cc1Br ZINC000103975230 204091958 /nfs/dbraw/zinc/09/19/58/204091958.db2.gz CKGDTQYFQMDVRN-UHFFFAOYSA-N 0 0 343.673 5.403 10 0 EKAERN C[C@@H]1CCC[C@H](SCCOc2cccc(Br)c2)C1 ZINC000103975234 219335525 /nfs/dbraw/zinc/33/55/25/219335525.db2.gz MUIAKLIZSWZGJK-DOMZBBRYSA-N 0 0 329.303 5.140 10 0 EKAERN C[C@H]1CCC[C@H](SCCOc2cccc(Br)c2)C1 ZINC000103975237 219335377 /nfs/dbraw/zinc/33/53/77/219335377.db2.gz MUIAKLIZSWZGJK-WFASDCNBSA-N 0 0 329.303 5.140 10 0 EKAERN C[C@@H]1CCC[C@@H](SCCOc2cccc(Br)c2)C1 ZINC000103975241 219335006 /nfs/dbraw/zinc/33/50/06/219335006.db2.gz MUIAKLIZSWZGJK-IUODEOHRSA-N 0 0 329.303 5.140 10 0 EKAERN C[C@H]1CCC[C@@H](SCCOc2cccc(Br)c2)C1 ZINC000103975245 219335464 /nfs/dbraw/zinc/33/54/64/219335464.db2.gz MUIAKLIZSWZGJK-SWLSCSKDSA-N 0 0 329.303 5.140 10 0 EKAERN COc1ccc(Br)cc1NC1CCC(C(C)C)CC1 ZINC000103976598 219334703 /nfs/dbraw/zinc/33/47/03/219334703.db2.gz QDHNXXFRKYVXOI-UHFFFAOYSA-N 0 0 326.278 5.084 10 0 EKAERN CCc1ccc([C@@H](C)Nc2cc(Br)ccc2OC)s1 ZINC000103976602 219334894 /nfs/dbraw/zinc/33/48/94/219334894.db2.gz JWZIXJSQOYNVSW-SNVBAGLBSA-N 0 0 340.286 5.255 10 0 EKAERN CCc1ccc([C@H](C)Nc2cc(Br)ccc2OC)s1 ZINC000103976606 219335398 /nfs/dbraw/zinc/33/53/98/219335398.db2.gz JWZIXJSQOYNVSW-JTQLQIEISA-N 0 0 340.286 5.255 10 0 EKAERN CCc1ccc([C@@H](C)Nc2cc(Br)ccc2Cl)cc1 ZINC000103976864 219335023 /nfs/dbraw/zinc/33/50/23/219335023.db2.gz FVHHELBJOYMPJW-LLVKDONJSA-N 0 0 338.676 5.838 10 0 EKAERN CCc1ccc([C@H](C)Nc2cc(Br)ccc2Cl)cc1 ZINC000103976869 219335406 /nfs/dbraw/zinc/33/54/06/219335406.db2.gz FVHHELBJOYMPJW-NSHDSACASA-N 0 0 338.676 5.838 10 0 EKAERN Cc1ccccc1CSCc1ccc(F)c(Br)c1 ZINC000103977247 219335194 /nfs/dbraw/zinc/33/51/94/219335194.db2.gz ZHXOZQXLKHQQFC-UHFFFAOYSA-N 0 0 325.246 5.330 10 0 EKAERN CCOc1ccc(N[C@@H](C)c2sccc2Br)c(C)c1 ZINC000103978478 219335135 /nfs/dbraw/zinc/33/51/35/219335135.db2.gz WBSPSFHCLRDPHI-NSHDSACASA-N 0 0 340.286 5.391 10 0 EKAERN CCOc1ccc(N[C@H](C)c2sccc2Br)c(C)c1 ZINC000103978481 219334965 /nfs/dbraw/zinc/33/49/65/219334965.db2.gz WBSPSFHCLRDPHI-LLVKDONJSA-N 0 0 340.286 5.391 10 0 EKAERN COc1ccc(Br)cc1N[C@H](c1cccs1)C(C)C ZINC000103978671 219334913 /nfs/dbraw/zinc/33/49/13/219334913.db2.gz CNYNEYNAMVFABX-HNNXBMFYSA-N 0 0 340.286 5.328 10 0 EKAERN COc1ccc(Br)cc1N[C@@H](c1cccs1)C(C)C ZINC000103978674 219335095 /nfs/dbraw/zinc/33/50/95/219335095.db2.gz CNYNEYNAMVFABX-OAHLLOKOSA-N 0 0 340.286 5.328 10 0 EKAERN C[C@@H](c1ccc(Cl)cc1)N(C)Cc1ccccc1Br ZINC000103979127 204092071 /nfs/dbraw/zinc/09/20/71/204092071.db2.gz LIOPWDDQMDMFSF-LBPRGKRZSA-N 0 0 338.676 5.296 10 0 EKAERN C[C@H](c1ccc(Cl)cc1)N(C)Cc1ccccc1Br ZINC000103979130 219335060 /nfs/dbraw/zinc/33/50/60/219335060.db2.gz LIOPWDDQMDMFSF-GFCCVEGCSA-N 0 0 338.676 5.296 10 0 EKAERN C[C@@H](c1ccccc1Cl)N(C)Cc1cc(Br)cs1 ZINC000103979137 219334839 /nfs/dbraw/zinc/33/48/39/219334839.db2.gz VIIAZPLVGRYPDV-JTQLQIEISA-N 0 0 344.705 5.357 10 0 EKAERN C[C@H](c1ccccc1Cl)N(C)Cc1cc(Br)cs1 ZINC000103979141 219335184 /nfs/dbraw/zinc/33/51/84/219335184.db2.gz VIIAZPLVGRYPDV-SNVBAGLBSA-N 0 0 344.705 5.357 10 0 EKAERN Cc1ccc(C(C)(C)C)c(OCc2cc(Br)cs2)c1 ZINC000103979172 219334941 /nfs/dbraw/zinc/33/49/41/219334941.db2.gz DEBWFTDTVZEZJI-UHFFFAOYSA-N 0 0 339.298 5.696 10 0 EKAERN CNc1ccc(Cl)c(CSc2cc(Cl)ccc2Cl)n1 ZINC000103980098 219335278 /nfs/dbraw/zinc/33/52/78/219335278.db2.gz QUXMAOUAMHKUGT-UHFFFAOYSA-N 0 0 333.671 5.376 10 0 EKAERN CC[C@H](Nc1ccc(C)c(Br)c1)c1cccc(Cl)c1 ZINC000103980761 219335041 /nfs/dbraw/zinc/33/50/41/219335041.db2.gz APTLBXAVGCFASJ-INIZCTEOSA-N 0 0 338.676 5.974 10 0 EKAERN C[C@@H](c1cccc(Cl)c1)N(C)Cc1sccc1Br ZINC000103980882 219335567 /nfs/dbraw/zinc/33/55/67/219335567.db2.gz DNEMMWQMLZYECZ-JTQLQIEISA-N 0 0 344.705 5.357 10 0 EKAERN C[C@H](c1cccc(Cl)c1)N(C)Cc1sccc1Br ZINC000103980888 219335490 /nfs/dbraw/zinc/33/54/90/219335490.db2.gz DNEMMWQMLZYECZ-SNVBAGLBSA-N 0 0 344.705 5.357 10 0 EKAERN CC[C@@H](C)c1ccccc1OCc1ccc(Br)s1 ZINC000103980910 219335071 /nfs/dbraw/zinc/33/50/71/219335071.db2.gz LJSCDALUYDYZRB-LLVKDONJSA-N 0 0 325.271 5.603 10 0 EKAERN CC[C@H](C)c1ccccc1OCc1ccc(Br)s1 ZINC000103980914 204092117 /nfs/dbraw/zinc/09/21/17/204092117.db2.gz LJSCDALUYDYZRB-NSHDSACASA-N 0 0 325.271 5.603 10 0 EKAERN Cc1cc(C(C)(C)C)ccc1OCc1cc(Br)cs1 ZINC000103980937 219335094 /nfs/dbraw/zinc/33/50/94/219335094.db2.gz IDCUIUVZVNTRKZ-UHFFFAOYSA-N 0 0 339.298 5.696 10 0 EKAERN Nc1ccc(Oc2cc(Cl)ccc2Cl)c(Br)c1 ZINC000103980985 219334918 /nfs/dbraw/zinc/33/49/18/219334918.db2.gz KAIMBSHWBDEAMP-UHFFFAOYSA-N 0 0 333.012 5.130 10 0 EKAERN Cc1cc(OC(C)C)ccc1NCc1csc(Br)c1 ZINC000103982123 219335003 /nfs/dbraw/zinc/33/50/03/219335003.db2.gz OSWGABUJWUCJBR-UHFFFAOYSA-N 0 0 340.286 5.218 10 0 EKAERN C[C@H](Nc1cc(F)c(F)cc1F)c1ccccc1Br ZINC000103982458 219334835 /nfs/dbraw/zinc/33/48/35/219334835.db2.gz FOJTUHFKNAAYRF-QMMMGPOBSA-N 0 0 330.147 5.040 10 0 EKAERN C[C@@H](Nc1cc(F)c(F)cc1F)c1ccccc1Br ZINC000103982460 219334976 /nfs/dbraw/zinc/33/49/76/219334976.db2.gz FOJTUHFKNAAYRF-MRVPVSSYSA-N 0 0 330.147 5.040 10 0 EKAERN Clc1ccc(Br)cc1N[C@@H](c1cccs1)C1CC1 ZINC000103982469 204092672 /nfs/dbraw/zinc/09/26/72/204092672.db2.gz CIGBIEZGBFLSSY-CQSZACIVSA-N 0 0 342.689 5.727 10 0 EKAERN Clc1ccc(Br)cc1N[C@H](c1cccs1)C1CC1 ZINC000103982474 219335482 /nfs/dbraw/zinc/33/54/82/219335482.db2.gz CIGBIEZGBFLSSY-AWEZNQCLSA-N 0 0 342.689 5.727 10 0 EKAERN Clc1ccc(Br)cc1NCc1c[nH]c2ccccc12 ZINC000103982479 219335372 /nfs/dbraw/zinc/33/53/72/219335372.db2.gz MQZGZSHSRDJQTD-UHFFFAOYSA-N 0 0 335.632 5.196 10 0 EKAERN CSc1ccc([C@H](C)Nc2ccc(C)c(Br)c2)cc1 ZINC000103982537 219335546 /nfs/dbraw/zinc/33/55/46/219335546.db2.gz YOOZKHMGDFKYMN-LBPRGKRZSA-N 0 0 336.298 5.653 10 0 EKAERN CSc1ccc([C@@H](C)Nc2ccc(C)c(Br)c2)cc1 ZINC000103982541 219335088 /nfs/dbraw/zinc/33/50/88/219335088.db2.gz YOOZKHMGDFKYMN-GFCCVEGCSA-N 0 0 336.298 5.653 10 0 EKAERN Cc1ccc(N[C@@H]2CCSc3ccccc32)cc1Br ZINC000103982545 219335010 /nfs/dbraw/zinc/33/50/10/219335010.db2.gz LZPHLZSRUUYRAA-OAHLLOKOSA-N 0 0 334.282 5.407 10 0 EKAERN Cc1ccc(N[C@H]2CCSc3ccccc32)cc1Br ZINC000103982549 219335054 /nfs/dbraw/zinc/33/50/54/219335054.db2.gz LZPHLZSRUUYRAA-HNNXBMFYSA-N 0 0 334.282 5.407 10 0 EKAERN CCc1cc(OCc2ccc(Br)s2)ccc1Cl ZINC000103982666 204091459 /nfs/dbraw/zinc/09/14/59/204091459.db2.gz LRVXMPSGOSTUCL-UHFFFAOYSA-N 0 0 331.662 5.305 10 0 EKAERN CC(C)Nc1nc(-c2cc3cc(Br)ccc3o2)cs1 ZINC000103982936 219336038 /nfs/dbraw/zinc/33/60/38/219336038.db2.gz KXWWBGBFXGGGKU-UHFFFAOYSA-N 0 0 337.242 5.139 10 0 EKAERN CCc1ccc([C@@H](C)Nc2cc(Br)ccc2Cl)s1 ZINC000103983987 219336014 /nfs/dbraw/zinc/33/60/14/219336014.db2.gz MNBWPFNRHLYOFI-SECBINFHSA-N 0 0 344.705 5.900 10 0 EKAERN CCc1ccc([C@H](C)Nc2cc(Br)ccc2Cl)s1 ZINC000103983989 219335876 /nfs/dbraw/zinc/33/58/76/219335876.db2.gz MNBWPFNRHLYOFI-VIFPVBQESA-N 0 0 344.705 5.900 10 0 EKAERN Cc1cc(OCc2cc(Br)cs2)cc(C)c1Cl ZINC000103984197 204092607 /nfs/dbraw/zinc/09/26/07/204092607.db2.gz KASWRJZOWLIUAM-UHFFFAOYSA-N 0 0 331.662 5.360 10 0 EKAERN Cc1cc(OCc2ccc(Br)cc2F)cc(C)c1Cl ZINC000103984201 219336315 /nfs/dbraw/zinc/33/63/15/219336315.db2.gz GMSKPHWFCOKDMV-UHFFFAOYSA-N 0 0 343.623 5.437 10 0 EKAERN Cc1cc(OCc2sccc2Br)cc(C)c1Cl ZINC000103984205 219336380 /nfs/dbraw/zinc/33/63/80/219336380.db2.gz KGBNELOBDBDUTR-UHFFFAOYSA-N 0 0 331.662 5.360 10 0 EKAERN CC(C)c1ccc(SCc2ccc(Br)s2)cc1 ZINC000103984220 204092146 /nfs/dbraw/zinc/09/21/46/204092146.db2.gz YDWAUNDNNHFLSB-UHFFFAOYSA-N 0 0 327.312 5.926 10 0 EKAERN Nc1ccc(Oc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000103984224 204092549 /nfs/dbraw/zinc/09/25/49/204092549.db2.gz UHVXDYGUSFMVDF-UHFFFAOYSA-N 0 0 333.012 5.130 10 0 EKAERN C[C@H](Nc1ccc(Br)cc1C(F)(F)F)C1CCCC1 ZINC000103985095 219336086 /nfs/dbraw/zinc/33/60/86/219336086.db2.gz KKARJAYJZJMHDV-VIFPVBQESA-N 0 0 336.195 5.459 10 0 EKAERN C[C@@H](Nc1ccc(Br)cc1C(F)(F)F)C1CCCC1 ZINC000103985098 206480569 /nfs/dbraw/zinc/48/05/69/206480569.db2.gz KKARJAYJZJMHDV-SECBINFHSA-N 0 0 336.195 5.459 10 0 EKAERN Cc1cc(Br)cc(C)c1NCc1ccc(Cl)c(F)c1 ZINC000103985196 219335856 /nfs/dbraw/zinc/33/58/56/219335856.db2.gz PQCLZMVKRIIGBA-UHFFFAOYSA-N 0 0 342.639 5.471 10 0 EKAERN C[C@H](Nc1cccc(F)c1F)c1ccc(F)c(Br)c1 ZINC000103985325 219336225 /nfs/dbraw/zinc/33/62/25/219336225.db2.gz ZOVAESYIIJOPCE-QMMMGPOBSA-N 0 0 330.147 5.040 10 0 EKAERN C[C@@H](Nc1cccc(F)c1F)c1ccc(F)c(Br)c1 ZINC000103985331 219336541 /nfs/dbraw/zinc/33/65/41/219336541.db2.gz ZOVAESYIIJOPCE-MRVPVSSYSA-N 0 0 330.147 5.040 10 0 EKAERN COc1ccc(Cl)c(N[C@@H](C)c2ccc(Br)cc2)c1 ZINC000103985500 219336144 /nfs/dbraw/zinc/33/61/44/219336144.db2.gz YJCSVKPEVUAPEK-JTQLQIEISA-N 0 0 340.648 5.284 10 0 EKAERN C[C@H](Nc1cc(F)cc(F)c1F)c1ccccc1Br ZINC000103985679 219336484 /nfs/dbraw/zinc/33/64/84/219336484.db2.gz SZLLGTUDGLOULI-QMMMGPOBSA-N 0 0 330.147 5.040 10 0 EKAERN C[C@@H](Nc1cc(F)cc(F)c1F)c1ccccc1Br ZINC000103985682 219336233 /nfs/dbraw/zinc/33/62/33/219336233.db2.gz SZLLGTUDGLOULI-MRVPVSSYSA-N 0 0 330.147 5.040 10 0 EKAERN CC(C)c1ccc(SCc2ccc(Br)cc2F)cc1 ZINC000103985964 204092154 /nfs/dbraw/zinc/09/21/54/204092154.db2.gz SHNMKIMTNHINDE-UHFFFAOYSA-N 0 0 339.273 6.004 10 0 EKAERN Fc1ccc(CSc2ccccc2Cl)c(Br)c1 ZINC000103985969 219336366 /nfs/dbraw/zinc/33/63/66/219336366.db2.gz AAQUWIBIBBDQBP-UHFFFAOYSA-N 0 0 331.637 5.534 10 0 EKAERN C[C@@H](Nc1cc(F)cc(F)c1F)c1ccc(Br)cc1 ZINC000103987417 219336489 /nfs/dbraw/zinc/33/64/89/219336489.db2.gz JICGHAHEVLNZQK-MRVPVSSYSA-N 0 0 330.147 5.040 10 0 EKAERN Clc1ccc(Br)cc1N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000103987446 219335751 /nfs/dbraw/zinc/33/57/51/219335751.db2.gz FMPMSWQZVNWPEL-OUCADQQQSA-N 0 0 342.708 5.873 10 0 EKAERN Clc1ccc(Br)cc1N[C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000103987450 219335766 /nfs/dbraw/zinc/33/57/66/219335766.db2.gz FMPMSWQZVNWPEL-SCRDCRAPSA-N 0 0 342.708 5.873 10 0 EKAERN Cc1ccc(NCc2cccc(Cl)c2Cl)cc1Br ZINC000103987555 219336135 /nfs/dbraw/zinc/33/61/35/219336135.db2.gz ZJMYTUNBUYUKHM-UHFFFAOYSA-N 0 0 345.067 5.676 10 0 EKAERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCc1cc(Br)cs1 ZINC000103987694 204091440 /nfs/dbraw/zinc/09/14/40/204091440.db2.gz AFDFYNFOVPGLJK-KCPJHIHWSA-N 0 0 331.319 5.488 10 0 EKAERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCc1cc(Br)cs1 ZINC000103987699 204091619 /nfs/dbraw/zinc/09/16/19/204091619.db2.gz AFDFYNFOVPGLJK-BYCMXARLSA-N 0 0 331.319 5.488 10 0 EKAERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCc1cccc(Br)c1 ZINC000103987707 219336473 /nfs/dbraw/zinc/33/64/73/219336473.db2.gz DKGIOEAFHICVHD-KBRIMQKVSA-N 0 0 325.290 5.427 10 0 EKAERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCc1cccc(Br)c1 ZINC000103987716 204091378 /nfs/dbraw/zinc/09/13/78/204091378.db2.gz DKGIOEAFHICVHD-XOKHGSTOSA-N 0 0 325.290 5.427 10 0 EKAERN Cc1ccc(C(C)C)cc1OCc1ccc(Br)s1 ZINC000103987732 219336500 /nfs/dbraw/zinc/33/65/00/219336500.db2.gz CRIMOIFBDZPEHU-UHFFFAOYSA-N 0 0 325.271 5.521 10 0 EKAERN CSCc1ccc(CNc2c(C)cc(Br)cc2C)o1 ZINC000103988713 219335778 /nfs/dbraw/zinc/33/57/78/219335778.db2.gz UUTVKNWGNJEUAJ-UHFFFAOYSA-N 0 0 340.286 5.134 10 0 EKAERN Clc1ccc(Br)cc1NC1CC(c2ccccc2)C1 ZINC000103989167 219335871 /nfs/dbraw/zinc/33/58/71/219335871.db2.gz ZZGLVIQHLZOBAQ-UHFFFAOYSA-N 0 0 336.660 5.461 10 0 EKAERN CCCC1CCC(Nc2cc(Br)ccc2Cl)CC1 ZINC000103989172 219336447 /nfs/dbraw/zinc/33/64/47/219336447.db2.gz USBUSUHSEQOZCI-UHFFFAOYSA-N 0 0 330.697 5.873 10 0 EKAERN Cc1ccc(SCc2ccc(F)c(Br)c2)cc1C ZINC000103989408 219336079 /nfs/dbraw/zinc/33/60/79/219336079.db2.gz UXQCZYXHSGAJDX-UHFFFAOYSA-N 0 0 325.246 5.497 10 0 EKAERN Cc1cc(Br)cc(C)c1N[C@@H](c1cccs1)C(C)C ZINC000103990402 219335824 /nfs/dbraw/zinc/33/58/24/219335824.db2.gz DJRLHTWDASDHSL-OAHLLOKOSA-N 0 0 338.314 5.937 10 0 EKAERN Cc1cc(Br)cc(C)c1N[C@H](c1cccs1)C(C)C ZINC000103990405 219336257 /nfs/dbraw/zinc/33/62/57/219336257.db2.gz DJRLHTWDASDHSL-HNNXBMFYSA-N 0 0 338.314 5.937 10 0 EKAERN CC[C@H](Nc1c(C)cc(Br)cc1OC)c1cccs1 ZINC000103990432 219335974 /nfs/dbraw/zinc/33/59/74/219335974.db2.gz JLTNDYGVSWABEF-LBPRGKRZSA-N 0 0 340.286 5.391 10 0 EKAERN CC[C@@H](Nc1c(C)cc(Br)cc1OC)c1cccs1 ZINC000103990435 219336544 /nfs/dbraw/zinc/33/65/44/219336544.db2.gz JLTNDYGVSWABEF-GFCCVEGCSA-N 0 0 340.286 5.391 10 0 EKAERN Cc1ccc(NCc2ccc(Cl)c(Cl)c2)cc1Br ZINC000103990998 219335914 /nfs/dbraw/zinc/33/59/14/219335914.db2.gz ZKBYOLSOHXVZPP-UHFFFAOYSA-N 0 0 345.067 5.676 10 0 EKAERN FC(F)(F)c1ccccc1OCc1ccccc1Br ZINC000103991078 219336339 /nfs/dbraw/zinc/33/63/39/219336339.db2.gz QEDRLNZWIZFGHG-UHFFFAOYSA-N 0 0 331.131 5.047 10 0 EKAERN Fc1ccc(CSc2nc3ccccc3o2)cc1Br ZINC000103991111 204091671 /nfs/dbraw/zinc/09/16/71/204091671.db2.gz WOVHHQOKRINVKX-UHFFFAOYSA-N 0 0 338.201 5.022 10 0 EKAERN Cc1cc([C@H](C)Nc2c(C)cc(Br)cc2C)c(C)s1 ZINC000103992005 219337177 /nfs/dbraw/zinc/33/71/77/219337177.db2.gz PQWAMXUXEDURBY-LBPRGKRZSA-N 0 0 338.314 5.917 10 0 EKAERN Cc1cc([C@@H](C)Nc2c(C)cc(Br)cc2C)c(C)s1 ZINC000103992008 219337421 /nfs/dbraw/zinc/33/74/21/219337421.db2.gz PQWAMXUXEDURBY-GFCCVEGCSA-N 0 0 338.314 5.917 10 0 EKAERN COc1cc(Br)cc(C)c1NC1CCCCCCC1 ZINC000103992021 219336975 /nfs/dbraw/zinc/33/69/75/219336975.db2.gz SWWUJIJDMJSUSA-UHFFFAOYSA-N 0 0 326.278 5.291 10 0 EKAERN CC[C@H](Nc1cc(Br)ccc1Cl)c1cccs1 ZINC000103992492 204092566 /nfs/dbraw/zinc/09/25/66/204092566.db2.gz OEVYFTDZDQFMCN-NSHDSACASA-N 0 0 330.678 5.727 10 0 EKAERN CC[C@@H](Nc1cc(Br)ccc1Cl)c1cccs1 ZINC000103992497 219337245 /nfs/dbraw/zinc/33/72/45/219337245.db2.gz OEVYFTDZDQFMCN-LLVKDONJSA-N 0 0 330.678 5.727 10 0 EKAERN Clc1ccc(Br)cc1NCc1cc2ccccc2o1 ZINC000103992503 219337381 /nfs/dbraw/zinc/33/73/81/219337381.db2.gz LHQRQGRDDHCHNI-UHFFFAOYSA-N 0 0 336.616 5.461 10 0 EKAERN Cc1ccc([C@H](C)Nc2cc(Br)ccc2Cl)c(C)c1 ZINC000103992512 219337307 /nfs/dbraw/zinc/33/73/07/219337307.db2.gz SKYDJVVZGDIRJH-LBPRGKRZSA-N 0 0 338.676 5.892 10 0 EKAERN Cc1ccc(OCc2sccc2Br)c(C(C)(C)C)c1 ZINC000103992722 219336749 /nfs/dbraw/zinc/33/67/49/219336749.db2.gz QXSIXULRBGOUOM-UHFFFAOYSA-N 0 0 339.298 5.696 10 0 EKAERN Cc1cc(Cl)cc(C)c1OCc1cccc(Br)c1 ZINC000103992727 204092200 /nfs/dbraw/zinc/09/22/00/204092200.db2.gz QWTGUSDJWUTLDH-UHFFFAOYSA-N 0 0 325.633 5.298 10 0 EKAERN COc1cc(Br)cc(C)c1NC1[C@H](C)CCC[C@@H]1C ZINC000103993879 219336697 /nfs/dbraw/zinc/33/66/97/219336697.db2.gz DZOLBRLIKYBEMH-YWXMQNBFSA-N 0 0 326.278 5.003 10 0 EKAERN COc1cc(Br)cc(C)c1NC1[C@@H](C)CCC[C@@H]1C ZINC000103993883 219337112 /nfs/dbraw/zinc/33/71/12/219337112.db2.gz DZOLBRLIKYBEMH-QWRGUYRKSA-N 0 0 326.278 5.003 10 0 EKAERN COc1cc(Br)cc(C)c1NC1[C@H](C)CCC[C@H]1C ZINC000103993889 206479975 /nfs/dbraw/zinc/47/99/75/206479975.db2.gz DZOLBRLIKYBEMH-GHMZBOCLSA-N 0 0 326.278 5.003 10 0 EKAERN COc1cccc([C@@H](C)Nc2cc(Br)ccc2Cl)c1 ZINC000103994447 219337453 /nfs/dbraw/zinc/33/74/53/219337453.db2.gz RXMXMGUOEPNIEJ-SNVBAGLBSA-N 0 0 340.648 5.284 10 0 EKAERN Brc1csc(CSc2ccc3c(c2)CCC3)c1 ZINC000103994677 219337108 /nfs/dbraw/zinc/33/71/08/219337108.db2.gz HLJCBJLQEWMSCZ-UHFFFAOYSA-N 0 0 325.296 5.292 10 0 EKAERN Cc1cc(Oc2ccc(N)cc2Br)cc(C)c1Cl ZINC000103994683 219336811 /nfs/dbraw/zinc/33/68/11/219336811.db2.gz QGSILRYGMYAZGL-UHFFFAOYSA-N 0 0 326.621 5.094 10 0 EKAERN CCc1cc(Oc2ccc(N)cc2Br)ccc1Cl ZINC000103994690 219337249 /nfs/dbraw/zinc/33/72/49/219337249.db2.gz CECQUJAYGZGILJ-UHFFFAOYSA-N 0 0 326.621 5.039 10 0 EKAERN Cc1ccc(NCc2ccc(F)cc2Cl)cc1Br ZINC000103997613 219337463 /nfs/dbraw/zinc/33/74/63/219337463.db2.gz BMQPTYAMFCTFMY-UHFFFAOYSA-N 0 0 328.612 5.162 10 0 EKAERN Cc1ccsc1-c1nc(Cl)c2cc(Cl)cc(Cl)c2n1 ZINC000103997667 204091508 /nfs/dbraw/zinc/09/15/08/204091508.db2.gz IPALPOGEIRNCDT-UHFFFAOYSA-N 0 0 329.639 5.627 10 0 EKAERN Clc1ccccc1NCCSc1cccc(Br)c1 ZINC000104000017 219337430 /nfs/dbraw/zinc/33/74/30/219337430.db2.gz ICHZXMKCWOLYGQ-UHFFFAOYSA-N 0 0 342.689 5.307 10 0 EKAERN Clc1ccc(NCCSc2cccc(Br)c2)cc1 ZINC000104000021 219337395 /nfs/dbraw/zinc/33/73/95/219337395.db2.gz MVYXRXXMMLLBEY-UHFFFAOYSA-N 0 0 342.689 5.307 10 0 EKAERN CCNc1cc(C(F)F)nc2c(Cl)cc(Cl)c(Cl)c12 ZINC000104000234 219337123 /nfs/dbraw/zinc/33/71/23/219337123.db2.gz LEOPLPZRLMUGOK-UHFFFAOYSA-N 0 0 325.573 5.564 10 0 EKAERN COc1cc(Cl)c(C)cc1NCc1sccc1Br ZINC000104000445 204092612 /nfs/dbraw/zinc/09/26/12/204092612.db2.gz CXXOBPXKIYQTCU-UHFFFAOYSA-N 0 0 346.677 5.093 10 0 EKAERN CCC[NH2+][C@H](C1=CCCC1)c1ccc(Br)cc1Cl ZINC000104002620 204091763 /nfs/dbraw/zinc/09/17/63/204091763.db2.gz QOLKTSLUABCSRQ-OAHLLOKOSA-N 0 0 328.681 5.254 10 0 EKAERN O=C(c1ccc(Br)c(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000104003324 204093665 /nfs/dbraw/zinc/09/36/65/204093665.db2.gz BXVUFQBMVLKLID-UHFFFAOYSA-N 0 0 347.998 5.126 10 0 EKAERN CC[NH2+][C@@H](c1ccc(Br)cc1)c1ccc(C)c(Cl)c1 ZINC000104006253 219337958 /nfs/dbraw/zinc/33/79/58/219337958.db2.gz HWVHCCNTTQLOPU-INIZCTEOSA-N 0 0 338.676 5.110 10 0 EKAERN CC[NH2+][C@H](c1ccc(Br)cc1)c1ccc(C)c(Cl)c1 ZINC000104006255 219337793 /nfs/dbraw/zinc/33/77/93/219337793.db2.gz HWVHCCNTTQLOPU-MRXNPFEDSA-N 0 0 338.676 5.110 10 0 EKAERN Clc1cccc(SCCNc2ccccc2Br)c1 ZINC000104006767 219337956 /nfs/dbraw/zinc/33/79/56/219337956.db2.gz IOCAXXJCOJTVSL-UHFFFAOYSA-N 0 0 342.689 5.307 10 0 EKAERN CCC[NH2+][C@H](c1sccc1C)c1ccc(F)cc1Br ZINC000104007777 219338419 /nfs/dbraw/zinc/33/84/19/219338419.db2.gz GJJNANPUQFGSQM-AWEZNQCLSA-N 0 0 342.277 5.047 10 0 EKAERN CCC[NH2+][C@@H](c1sccc1C)c1ccc(F)cc1Br ZINC000104007783 219338182 /nfs/dbraw/zinc/33/81/82/219338182.db2.gz GJJNANPUQFGSQM-CQSZACIVSA-N 0 0 342.277 5.047 10 0 EKAERN Cc1cc(Br)ccc1OCc1nc(Cl)ccc1Cl ZINC000104008297 204093159 /nfs/dbraw/zinc/09/31/59/204093159.db2.gz FBQCIZKZFILSIB-UHFFFAOYSA-N 0 0 347.039 5.038 10 0 EKAERN CCOc1ccc(Br)cc1C(=O)C1CCCCCC1 ZINC000104008697 204093485 /nfs/dbraw/zinc/09/34/85/204093485.db2.gz YRIXUENXLWIPNY-UHFFFAOYSA-N 0 0 325.246 5.001 10 0 EKAERN CCC[NH2+][C@H](c1sccc1C)c1ccc(Br)cc1F ZINC000104009362 219337842 /nfs/dbraw/zinc/33/78/42/219337842.db2.gz IDGWRRMLAZZXRX-AWEZNQCLSA-N 0 0 342.277 5.047 10 0 EKAERN CCC[NH2+][C@@H](c1sccc1C)c1ccc(Br)cc1F ZINC000104009368 219337874 /nfs/dbraw/zinc/33/78/74/219337874.db2.gz IDGWRRMLAZZXRX-CQSZACIVSA-N 0 0 342.277 5.047 10 0 EKAERN C[C@@H]1CCC[C@H](SCCNc2ccc(Br)cc2)C1 ZINC000104009703 219338467 /nfs/dbraw/zinc/33/84/67/219338467.db2.gz ZITIHZWTRAQTDI-DOMZBBRYSA-N 0 0 328.319 5.173 10 0 EKAERN C[C@H]1CCC[C@H](SCCNc2ccc(Br)cc2)C1 ZINC000104009707 204094146 /nfs/dbraw/zinc/09/41/46/204094146.db2.gz ZITIHZWTRAQTDI-WFASDCNBSA-N 0 0 328.319 5.173 10 0 EKAERN C[C@@H]1CCC[C@@H](SCCNc2ccc(Br)cc2)C1 ZINC000104009712 219337784 /nfs/dbraw/zinc/33/77/84/219337784.db2.gz ZITIHZWTRAQTDI-IUODEOHRSA-N 0 0 328.319 5.173 10 0 EKAERN C[C@H]1CCC[C@@H](SCCNc2ccc(Br)cc2)C1 ZINC000104009715 204094205 /nfs/dbraw/zinc/09/42/05/204094205.db2.gz ZITIHZWTRAQTDI-SWLSCSKDSA-N 0 0 328.319 5.173 10 0 EKAERN CCCNc1cc(CCC)nc2c(Cl)cc(Br)cc12 ZINC000104011576 219338794 /nfs/dbraw/zinc/33/87/94/219338794.db2.gz MNRUZRMHSLPEJP-UHFFFAOYSA-N 0 0 341.680 5.425 10 0 EKAERN CCCNc1cc(CC)nc2c(Cl)cc(Br)cc12 ZINC000104011579 204093058 /nfs/dbraw/zinc/09/30/58/204093058.db2.gz SHYFQXDCOHGUMJ-UHFFFAOYSA-N 0 0 327.653 5.035 10 0 EKAERN CC(C)(C)C1CCC(C(=O)c2ccc(Br)s2)CC1 ZINC000104012088 204093391 /nfs/dbraw/zinc/09/33/91/204093391.db2.gz MTXCIJYADPSJOI-UHFFFAOYSA-N 0 0 329.303 5.546 10 0 EKAERN C[C@H]1CCC[C@H](SCCNc2cccc(Br)c2)C1 ZINC000104013197 219339109 /nfs/dbraw/zinc/33/91/09/219339109.db2.gz PWLCAZHKXQSXSB-WFASDCNBSA-N 0 0 328.319 5.173 10 0 EKAERN C[C@@H]1CCC[C@@H](SCCNc2cccc(Br)c2)C1 ZINC000104013201 219338850 /nfs/dbraw/zinc/33/88/50/219338850.db2.gz PWLCAZHKXQSXSB-IUODEOHRSA-N 0 0 328.319 5.173 10 0 EKAERN Clc1ccc(NCCSc2ccc(Br)cc2)cc1 ZINC000104014978 219339512 /nfs/dbraw/zinc/33/95/12/219339512.db2.gz MAQYJJQTMSVBEK-UHFFFAOYSA-N 0 0 342.689 5.307 10 0 EKAERN O=C(c1cc(Br)ccc1F)c1ccc(Cl)cc1Cl ZINC000104015694 204093998 /nfs/dbraw/zinc/09/39/98/204093998.db2.gz MEPGHYZSHNNJMC-UHFFFAOYSA-N 0 0 347.998 5.126 10 0 EKAERN CCCNc1cc(CCC)nc2c(Cl)ccc(Br)c12 ZINC000104017187 219339152 /nfs/dbraw/zinc/33/91/52/219339152.db2.gz GNELKZZXPWXGDP-UHFFFAOYSA-N 0 0 341.680 5.425 10 0 EKAERN CCCNc1cc(CC)nc2c(Cl)ccc(Br)c12 ZINC000104017195 204093626 /nfs/dbraw/zinc/09/36/26/204093626.db2.gz FVLNDIGXUCNHMC-UHFFFAOYSA-N 0 0 327.653 5.035 10 0 EKAERN O=C(c1ccc(Br)c(F)c1)c1ccc(Cl)cc1Cl ZINC000104017676 204094199 /nfs/dbraw/zinc/09/41/99/204094199.db2.gz MHCIMNPJHGOPGB-UHFFFAOYSA-N 0 0 347.998 5.126 10 0 EKAERN Cc1cc(CNc2ccc(Br)cc2Cl)ccc1F ZINC000104021620 204093754 /nfs/dbraw/zinc/09/37/54/204093754.db2.gz DTGQGMDTSPSBMI-UHFFFAOYSA-N 0 0 328.612 5.162 10 0 EKAERN Fc1cc(Br)ccc1NCc1csc2ccccc12 ZINC000104023799 219340169 /nfs/dbraw/zinc/34/01/69/219340169.db2.gz MFSTTYMCXWSWSG-UHFFFAOYSA-N 0 0 336.229 5.415 10 0 EKAERN CCCC1CCC(Nc2ccc(Br)cc2Cl)CC1 ZINC000104023970 204094004 /nfs/dbraw/zinc/09/40/04/204094004.db2.gz UCBYYQQWAVGYNE-UHFFFAOYSA-N 0 0 330.697 5.873 10 0 EKAERN CC(C)(C)C1CCC(Nc2ccc(Br)cc2Cl)CC1 ZINC000104023978 219339836 /nfs/dbraw/zinc/33/98/36/219339836.db2.gz WOJGOCOSPUCCJK-UHFFFAOYSA-N 0 0 344.724 6.119 10 0 EKAERN Fc1cc(F)c(N[C@@H](c2cccs2)C2CC2)c(Br)c1 ZINC000104025895 219340304 /nfs/dbraw/zinc/34/03/04/219340304.db2.gz AOWUXRZFEYKZNJ-CYBMUJFWSA-N 0 0 344.224 5.352 10 0 EKAERN Fc1cc(F)c(N[C@H](c2cccs2)C2CC2)c(Br)c1 ZINC000104025899 219340637 /nfs/dbraw/zinc/34/06/37/219340637.db2.gz AOWUXRZFEYKZNJ-ZDUSSCGKSA-N 0 0 344.224 5.352 10 0 EKAERN Fc1cc(CNc2c(Cl)cc(Cl)cc2Cl)ccc1Cl ZINC000104027517 219340138 /nfs/dbraw/zinc/34/01/38/219340138.db2.gz YRDQHWKZZAZXAR-UHFFFAOYSA-N 0 0 339.024 6.051 10 0 EKAERN Clc1cc(Cl)c(N[C@@H](c2cccs2)C2CC2)c(Cl)c1 ZINC000104027521 219340691 /nfs/dbraw/zinc/34/06/91/219340691.db2.gz WPCIIRPSRORXJO-CYBMUJFWSA-N 0 0 332.683 6.272 10 0 EKAERN Clc1cc(Cl)c(N[C@H](c2cccs2)C2CC2)c(Cl)c1 ZINC000104027524 219340252 /nfs/dbraw/zinc/34/02/52/219340252.db2.gz WPCIIRPSRORXJO-ZDUSSCGKSA-N 0 0 332.683 6.272 10 0 EKAERN CC(C)C1CCC(Nc2c(F)cc(F)cc2Br)CC1 ZINC000104027531 219340556 /nfs/dbraw/zinc/34/05/56/219340556.db2.gz OXIVINAYSDZDEW-UHFFFAOYSA-N 0 0 332.232 5.354 10 0 EKAERN C[C@H](Nc1ccc(Cl)c(F)c1)c1ccc(Br)s1 ZINC000104030647 219340290 /nfs/dbraw/zinc/34/02/90/219340290.db2.gz BWFQBVOGNREGLL-ZETCQYMHSA-N 0 0 334.641 5.476 10 0 EKAERN C[C@@H](Nc1ccc(Cl)c(F)c1)c1ccc(Br)s1 ZINC000104030650 219340397 /nfs/dbraw/zinc/34/03/97/219340397.db2.gz BWFQBVOGNREGLL-SSDOTTSWSA-N 0 0 334.641 5.476 10 0 EKAERN Cc1c(Cl)cccc1N[C@@H](C)c1ccc(Br)s1 ZINC000104030802 219340362 /nfs/dbraw/zinc/34/03/62/219340362.db2.gz DZSXUTHIGQLCIA-VIFPVBQESA-N 0 0 330.678 5.646 10 0 EKAERN Cc1c(Cl)cccc1N[C@H](C)c1ccc(Br)s1 ZINC000104030805 219340286 /nfs/dbraw/zinc/34/02/86/219340286.db2.gz DZSXUTHIGQLCIA-SECBINFHSA-N 0 0 330.678 5.646 10 0 EKAERN C[C@H](Nc1ccc(Br)c(C(F)(F)F)c1)C1CCCC1 ZINC000104035465 219340841 /nfs/dbraw/zinc/34/08/41/219340841.db2.gz KUMMYGSZOYONLT-VIFPVBQESA-N 0 0 336.195 5.459 10 0 EKAERN C[C@@H](Nc1ccc(Br)c(C(F)(F)F)c1)C1CCCC1 ZINC000104035467 219341550 /nfs/dbraw/zinc/34/15/50/219341550.db2.gz KUMMYGSZOYONLT-SECBINFHSA-N 0 0 336.195 5.459 10 0 EKAERN C[C@H](Nc1c(Cl)cc(Br)cc1Cl)C1CCCC1 ZINC000104037301 219341063 /nfs/dbraw/zinc/34/10/63/219341063.db2.gz YYMVOBWELNINAP-QMMMGPOBSA-N 0 0 337.088 5.747 10 0 EKAERN C[C@@H](Nc1c(Cl)cc(Br)cc1Cl)C1CCCC1 ZINC000104037305 219341434 /nfs/dbraw/zinc/34/14/34/219341434.db2.gz YYMVOBWELNINAP-MRVPVSSYSA-N 0 0 337.088 5.747 10 0 EKAERN O=Cc1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)cc1F ZINC000104037359 204093146 /nfs/dbraw/zinc/09/31/46/204093146.db2.gz MQJZOONQCATZKB-UHFFFAOYSA-N 0 0 337.992 5.919 10 0 EKAERN CCCc1ccc([C@H](O)c2cc(Br)ccc2Cl)cc1 ZINC000104037432 219341317 /nfs/dbraw/zinc/34/13/17/219341317.db2.gz JKUGQHCEYRMGEA-INIZCTEOSA-N 0 0 339.660 5.137 10 0 EKAERN CCCc1ccc([C@@H](O)c2cc(Br)ccc2Cl)cc1 ZINC000104037435 219341217 /nfs/dbraw/zinc/34/12/17/219341217.db2.gz JKUGQHCEYRMGEA-MRXNPFEDSA-N 0 0 339.660 5.137 10 0 EKAERN Cc1cc(Br)ccc1NCc1ccc(Cl)c(F)c1 ZINC000104038849 219340907 /nfs/dbraw/zinc/34/09/07/219340907.db2.gz KJNSCBFGYSTTBC-UHFFFAOYSA-N 0 0 328.612 5.162 10 0 EKAERN Fc1ccc(Br)cc1N[C@@H]1CCCc2sccc21 ZINC000104039072 219341446 /nfs/dbraw/zinc/34/14/46/219341446.db2.gz QKBJXUZFOIWIDG-GFCCVEGCSA-N 0 0 326.234 5.139 10 0 EKAERN Fc1ccc(Br)cc1N[C@H]1CCCc2sccc21 ZINC000104039079 219341487 /nfs/dbraw/zinc/34/14/87/219341487.db2.gz QKBJXUZFOIWIDG-LBPRGKRZSA-N 0 0 326.234 5.139 10 0 EKAERN Cc1c(C)c(C)c([C@H](O)c2ccc(Br)s2)c(C)c1C ZINC000104039184 219341126 /nfs/dbraw/zinc/34/11/26/219341126.db2.gz BHRNNXBJCDSJOR-MRXNPFEDSA-N 0 0 339.298 5.134 10 0 EKAERN Cc1c(C)c(C)c([C@@H](O)c2ccc(Br)s2)c(C)c1C ZINC000104039189 219340913 /nfs/dbraw/zinc/34/09/13/219340913.db2.gz BHRNNXBJCDSJOR-INIZCTEOSA-N 0 0 339.298 5.134 10 0 EKAERN Fc1ccc(N[C@@H]2CCc3cc(Br)ccc32)cc1Cl ZINC000104042358 219341117 /nfs/dbraw/zinc/34/11/17/219341117.db2.gz UPMUYJJMLGHJIV-OAHLLOKOSA-N 0 0 340.623 5.341 10 0 EKAERN Fc1ccc(N[C@H]2CCc3cc(Br)ccc32)cc1Cl ZINC000104042361 206481886 /nfs/dbraw/zinc/48/18/86/206481886.db2.gz UPMUYJJMLGHJIV-HNNXBMFYSA-N 0 0 340.623 5.341 10 0 EKAERN CCCC(CCC)Nc1c(Cl)cc(Br)cc1Cl ZINC000104042403 219341044 /nfs/dbraw/zinc/34/10/44/219341044.db2.gz YITCNGOJIDCHPV-UHFFFAOYSA-N 0 0 339.104 6.137 10 0 EKAERN CCCC[C@@H](CC)[C@H](O)c1cc(Cl)cc(Br)c1OC ZINC000104042494 219341195 /nfs/dbraw/zinc/34/11/95/219341195.db2.gz IKVDLDOOQFLLQY-YGRLFVJLSA-N 0 0 349.696 5.361 10 0 EKAERN CCCC[C@@H](CC)[C@@H](O)c1cc(Cl)cc(Br)c1OC ZINC000104042502 219341473 /nfs/dbraw/zinc/34/14/73/219341473.db2.gz IKVDLDOOQFLLQY-QMTHXVAHSA-N 0 0 349.696 5.361 10 0 EKAERN CCCC[C@H](CC)[C@@H](O)c1cc(Cl)cc(Br)c1OC ZINC000104042505 219341264 /nfs/dbraw/zinc/34/12/64/219341264.db2.gz IKVDLDOOQFLLQY-IINYFYTJSA-N 0 0 349.696 5.361 10 0 EKAERN COc1c(Br)cc(Cl)cc1[C@H](O)C1CCCCCC1 ZINC000104042508 219341459 /nfs/dbraw/zinc/34/14/59/219341459.db2.gz VXKVVQLEXPDAOL-CQSZACIVSA-N 0 0 347.680 5.115 10 0 EKAERN COc1c(Br)cc(Cl)cc1[C@@H](O)C1CCCCCC1 ZINC000104042512 219340999 /nfs/dbraw/zinc/34/09/99/219340999.db2.gz VXKVVQLEXPDAOL-AWEZNQCLSA-N 0 0 347.680 5.115 10 0 EKAERN C[C@@H](Nc1ccccc1C(C)(C)C)c1ccc(Br)s1 ZINC000104042578 219340846 /nfs/dbraw/zinc/34/08/46/219340846.db2.gz CVUPFCLKWVKYPE-LLVKDONJSA-N 0 0 338.314 5.981 10 0 EKAERN Clc1cc(Cl)c(N[C@@H]2CCCc3sccc32)cc1Cl ZINC000104043949 219342929 /nfs/dbraw/zinc/34/29/29/219342929.db2.gz HQJMJQPARFLJAE-GFCCVEGCSA-N 0 0 332.683 6.198 10 0 EKAERN Clc1cc(Cl)c(N[C@H]2CCCc3sccc32)cc1Cl ZINC000104043953 219342593 /nfs/dbraw/zinc/34/25/93/219342593.db2.gz HQJMJQPARFLJAE-LBPRGKRZSA-N 0 0 332.683 6.198 10 0 EKAERN Fc1ccc(N[C@@H]2CCCc3sccc32)c(Br)c1 ZINC000104044078 219342671 /nfs/dbraw/zinc/34/26/71/219342671.db2.gz NODMKYHOSLCVIK-GFCCVEGCSA-N 0 0 326.234 5.139 10 0 EKAERN Fc1ccc(N[C@H]2CCCc3sccc32)c(Br)c1 ZINC000104044083 204094683 /nfs/dbraw/zinc/09/46/83/204094683.db2.gz NODMKYHOSLCVIK-LBPRGKRZSA-N 0 0 326.234 5.139 10 0 EKAERN CCc1ccc([C@@H](C)Nc2ccc(F)cc2Br)s1 ZINC000104044091 204094593 /nfs/dbraw/zinc/09/45/93/204094593.db2.gz QVGUYXGDJBXXAP-SECBINFHSA-N 0 0 328.250 5.385 10 0 EKAERN CCc1ccc([C@H](C)Nc2ccc(F)cc2Br)s1 ZINC000104044096 219342374 /nfs/dbraw/zinc/34/23/74/219342374.db2.gz QVGUYXGDJBXXAP-VIFPVBQESA-N 0 0 328.250 5.385 10 0 EKAERN COc1c(Br)cc(Cl)cc1N[C@@H](C)C1CCCC1 ZINC000104044686 204094401 /nfs/dbraw/zinc/09/44/01/204094401.db2.gz NOSLUKVCIMSPCA-VIFPVBQESA-N 0 0 332.669 5.102 10 0 EKAERN COc1c(Br)cc(Cl)cc1N[C@H](C)C1CCCC1 ZINC000104044691 219342811 /nfs/dbraw/zinc/34/28/11/219342811.db2.gz NOSLUKVCIMSPCA-SECBINFHSA-N 0 0 332.669 5.102 10 0 EKAERN Cc1ccc(N[C@@H]2CCc3cc(Br)ccc32)c(Cl)c1 ZINC000104049779 219342758 /nfs/dbraw/zinc/34/27/58/219342758.db2.gz SLTSDRHCVMVCPK-OAHLLOKOSA-N 0 0 336.660 5.510 10 0 EKAERN Cc1ccc(N[C@H]2CCc3cc(Br)ccc32)c(Cl)c1 ZINC000104049785 219342725 /nfs/dbraw/zinc/34/27/25/219342725.db2.gz SLTSDRHCVMVCPK-HNNXBMFYSA-N 0 0 336.660 5.510 10 0 EKAERN Oc1ccc(CNc2ccc(Br)cc2Cl)cc1Cl ZINC000104049845 219342098 /nfs/dbraw/zinc/34/20/98/219342098.db2.gz PVJJZSABFARSBN-UHFFFAOYSA-N 0 0 347.039 5.074 10 0 EKAERN CCOc1cccc(CNc2ccc(Br)cc2Cl)c1 ZINC000104049851 219342626 /nfs/dbraw/zinc/34/26/26/219342626.db2.gz AJRAYJPOMOQHAX-UHFFFAOYSA-N 0 0 340.648 5.113 10 0 EKAERN Cc1cc(Br)ccc1[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000104049975 219342419 /nfs/dbraw/zinc/34/24/19/219342419.db2.gz IDAKRDIVRAHFPI-CQSZACIVSA-N 0 0 346.051 5.146 10 0 EKAERN Cc1cc(Br)ccc1[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000104049977 219342325 /nfs/dbraw/zinc/34/23/25/219342325.db2.gz IDAKRDIVRAHFPI-AWEZNQCLSA-N 0 0 346.051 5.146 10 0 EKAERN Cc1ccc(NCc2cnc(C(C)(C)C)s2)cc1Br ZINC000104063482 219343896 /nfs/dbraw/zinc/34/38/96/219343896.db2.gz ZVOMGXXXJXESHQ-UHFFFAOYSA-N 0 0 339.302 5.124 10 0 EKAERN CCCc1c(Cl)nc(-c2ccc(Br)cc2)nc1Cl ZINC000104130086 219349619 /nfs/dbraw/zinc/34/96/19/219349619.db2.gz MPXVAZYSESYDIZ-UHFFFAOYSA-N 0 0 346.055 5.165 10 0 EKAERN CC(C)c1c(Cl)nc(-c2cc(Cl)cc(Cl)c2)nc1Cl ZINC000104131471 204097338 /nfs/dbraw/zinc/09/73/38/204097338.db2.gz CYGLUTZLJQAVHK-UHFFFAOYSA-N 0 0 336.049 5.881 10 0 EKAERN CC(C)c1c(Cl)nc(-c2cccc(Br)c2)nc1Cl ZINC000104133877 219349641 /nfs/dbraw/zinc/34/96/41/219349641.db2.gz SCSZXHHFMAMPRV-UHFFFAOYSA-N 0 0 346.055 5.336 10 0 EKAERN CC(C)c1c(Cl)nc(-c2cccc(Cl)c2Cl)nc1Cl ZINC000104133883 219350289 /nfs/dbraw/zinc/35/02/89/219350289.db2.gz GHUYQTSTMAWMGW-UHFFFAOYSA-N 0 0 336.049 5.881 10 0 EKAERN Cc1cc(Cl)ccc1Oc1ccc([C@@H](C)O)cc1Br ZINC000104156456 219354989 /nfs/dbraw/zinc/35/49/89/219354989.db2.gz RFIZISONZPACKH-SNVBAGLBSA-N 0 0 341.632 5.257 10 0 EKAERN Cc1ccc(Oc2ccc([C@H](C)O)cc2Cl)c(Br)c1 ZINC000104157143 219354175 /nfs/dbraw/zinc/35/41/75/219354175.db2.gz IAQNYYKTFQJZAB-JTQLQIEISA-N 0 0 341.632 5.257 10 0 EKAERN CCC(=O)COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000104157936 219354965 /nfs/dbraw/zinc/35/49/65/219354965.db2.gz HRYNBCNYYXBKBK-UHFFFAOYSA-N 0 0 336.429 5.312 10 0 EKAERN CC[C@H]1CCCC[C@@H]1Nc1nc2cc(Br)ccc2s1 ZINC000104158021 206485868 /nfs/dbraw/zinc/48/58/68/206485868.db2.gz KFKYQCHGZSCBAQ-JQWIXIFHSA-N 0 0 339.302 5.440 10 0 EKAERN CC[C@@H]1CCCC[C@H]1Nc1nc2cc(Br)ccc2s1 ZINC000104158025 219355067 /nfs/dbraw/zinc/35/50/67/219355067.db2.gz KFKYQCHGZSCBAQ-ZYHUDNBSSA-N 0 0 339.302 5.440 10 0 EKAERN CC[C@H]1CCCC[C@H]1Nc1nc2cc(Br)ccc2s1 ZINC000104158027 219354769 /nfs/dbraw/zinc/35/47/69/219354769.db2.gz KFKYQCHGZSCBAQ-CMPLNLGQSA-N 0 0 339.302 5.440 10 0 EKAERN CCCNc1c(C)c(CC)nc2c(Cl)cc(Br)cc21 ZINC000104159164 219354393 /nfs/dbraw/zinc/35/43/93/219354393.db2.gz UKSCRTIUUNXGAK-UHFFFAOYSA-N 0 0 341.680 5.343 10 0 EKAERN Cc1ccc(Cl)c(Oc2ccc([C@@H](C)O)cc2Br)c1 ZINC000104159390 219354104 /nfs/dbraw/zinc/35/41/04/219354104.db2.gz KOWDXFLQLKVPES-SNVBAGLBSA-N 0 0 341.632 5.257 10 0 EKAERN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(Cl)s1 ZINC000104159490 219354074 /nfs/dbraw/zinc/35/40/74/219354074.db2.gz LWBNABHVWOMKOB-ZETCQYMHSA-N 0 0 335.639 5.359 10 0 EKAERN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(Cl)s1 ZINC000104159493 219354311 /nfs/dbraw/zinc/35/43/11/219354311.db2.gz LWBNABHVWOMKOB-SSDOTTSWSA-N 0 0 335.639 5.359 10 0 EKAERN Cc1ccc(OCC(=O)c2cc(Cl)sc2Cl)c(Cl)c1 ZINC000104160278 204098065 /nfs/dbraw/zinc/09/80/65/204098065.db2.gz AGWALRAUHZJGMU-UHFFFAOYSA-N 0 0 335.639 5.278 10 0 EKAERN Cc1ccc(Oc2ccc([C@@H](C)O)cc2Br)c(Cl)c1 ZINC000104162455 219354499 /nfs/dbraw/zinc/35/44/99/219354499.db2.gz AARSYGGDJUZJNV-SNVBAGLBSA-N 0 0 341.632 5.257 10 0 EKAERN Oc1cc(Br)ccc1-c1nc2cc(Cl)ccc2s1 ZINC000104165885 204099065 /nfs/dbraw/zinc/09/90/65/204099065.db2.gz BQHBEYGMGFQFCZ-UHFFFAOYSA-N 0 0 340.629 5.085 10 0 EKAERN Cc1ccc2sc(Nc3ccc(C)c(Br)c3)nc2c1 ZINC000104167666 219354537 /nfs/dbraw/zinc/35/45/37/219354537.db2.gz WHWSMBKQWWBUQY-UHFFFAOYSA-N 0 0 333.254 5.419 10 0 EKAERN CC(=O)c1ccc(Oc2ccc(Cl)cc2)c(Br)c1 ZINC000104168450 219354502 /nfs/dbraw/zinc/35/45/02/219354502.db2.gz NGSCWWBLXDFSNH-UHFFFAOYSA-N 0 0 325.589 5.097 10 0 EKAERN NC(=S)c1ccc(Cl)cc1Nc1cc(Cl)cc(Cl)c1 ZINC000104168797 219354263 /nfs/dbraw/zinc/35/42/63/219354263.db2.gz YOGDNUQXKQMZKR-UHFFFAOYSA-N 0 0 331.655 5.025 10 0 EKAERN NC(=S)c1ccc(Cl)cc1Nc1ccc(Cl)c(Cl)c1 ZINC000104168808 219355020 /nfs/dbraw/zinc/35/50/20/219355020.db2.gz ZWKRKZDSCOWQQG-UHFFFAOYSA-N 0 0 331.655 5.025 10 0 EKAERN CCCNc1nc2c(Br)cc(F)cc2cc1C(C)C ZINC000104169259 219354559 /nfs/dbraw/zinc/35/45/59/219354559.db2.gz AFWWVGUIUCGBSC-UHFFFAOYSA-N 0 0 325.225 5.082 10 0 EKAERN Clc1ccc(Cl)c(SCc2nc(Cl)ccc2Cl)c1 ZINC000104169501 204097840 /nfs/dbraw/zinc/09/78/40/204097840.db2.gz RSWFACAWFVSOFD-UHFFFAOYSA-N 0 0 339.074 5.988 10 0 EKAERN CC(=O)c1ccc(Oc2ccc(Cl)c(C)c2)c(Br)c1 ZINC000104169639 219354130 /nfs/dbraw/zinc/35/41/30/219354130.db2.gz HNDNSFNGUUIXAQ-UHFFFAOYSA-N 0 0 339.616 5.406 10 0 EKAERN Cc1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000104170674 204098145 /nfs/dbraw/zinc/09/81/45/204098145.db2.gz ZFDWXSSFSWSTJX-UHFFFAOYSA-N 0 0 346.051 5.643 10 0 EKAERN O=C(Cc1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1 ZINC000104170809 219354902 /nfs/dbraw/zinc/35/49/02/219354902.db2.gz FMNFGWIKFKEDBD-UHFFFAOYSA-N 0 0 344.035 5.181 10 0 EKAERN Clc1ccc(Cl)c(CSc2ccc(Br)cc2)n1 ZINC000104170974 219354471 /nfs/dbraw/zinc/35/44/71/219354471.db2.gz PRBQOEIZFMOUPN-UHFFFAOYSA-N 0 0 349.080 5.443 10 0 EKAERN O=C(Cc1ccc(Cl)cc1)c1ccc(Br)cc1Cl ZINC000104172111 204099142 /nfs/dbraw/zinc/09/91/42/204099142.db2.gz VKHBHVMRWZUJBN-UHFFFAOYSA-N 0 0 344.035 5.181 10 0 EKAERN CCCNc1nc2c(Cl)ccc(Br)c2cc1CCC ZINC000104173322 219355491 /nfs/dbraw/zinc/35/54/91/219355491.db2.gz NPDKJEUUCIDGJY-UHFFFAOYSA-N 0 0 341.680 5.425 10 0 EKAERN CCCCCN(C(=O)c1cc(Br)ccc1Cl)C(C)C ZINC000104173341 219355942 /nfs/dbraw/zinc/35/59/42/219355942.db2.gz OQXXTWSUGJLPFB-UHFFFAOYSA-N 0 0 346.696 5.143 10 0 EKAERN CC(=O)c1ccc(Oc2cc(C)ccc2Cl)c(Br)c1 ZINC000104173637 219356040 /nfs/dbraw/zinc/35/60/40/219356040.db2.gz XEXCLXIACOYPEQ-UHFFFAOYSA-N 0 0 339.616 5.406 10 0 EKAERN CCCc1cc2cc(Br)cc(Cl)c2nc1NCC ZINC000104174450 219355723 /nfs/dbraw/zinc/35/57/23/219355723.db2.gz VRDVADNAQGJTDQ-UHFFFAOYSA-N 0 0 327.653 5.035 10 0 EKAERN CCc1csc(Oc2ccc3ccccc3c2Br)n1 ZINC000104175545 219356081 /nfs/dbraw/zinc/35/60/81/219356081.db2.gz MHTYQVKQIHFLPM-UHFFFAOYSA-N 0 0 334.238 5.414 10 0 EKAERN CC(=O)c1ccc(Sc2cc(Cl)ccc2Cl)c(Cl)c1 ZINC000104175948 204099165 /nfs/dbraw/zinc/09/91/65/204099165.db2.gz LVXYMKYZHSWFEY-UHFFFAOYSA-N 0 0 331.651 6.001 10 0 EKAERN CC(=O)c1ccc(Sc2ccccc2Cl)c(Br)c1 ZINC000104175953 219355660 /nfs/dbraw/zinc/35/56/60/219355660.db2.gz FTSPCXVYKXYKMO-UHFFFAOYSA-N 0 0 341.657 5.456 10 0 EKAERN NC(=S)c1ccc(Oc2cc(Cl)cc(Cl)c2)cc1Cl ZINC000104176556 219355707 /nfs/dbraw/zinc/35/57/07/219355707.db2.gz BWIRLSLWXFAKCH-UHFFFAOYSA-N 0 0 332.639 5.073 10 0 EKAERN CC(=O)c1ccc(Sc2ccc(Br)cc2)c(Cl)c1 ZINC000104177262 219356036 /nfs/dbraw/zinc/35/60/36/219356036.db2.gz QRSKEENQQZKVOR-UHFFFAOYSA-N 0 0 341.657 5.456 10 0 EKAERN NC(=S)c1cc(Cl)ccc1Oc1ccc(Cl)c(Cl)c1 ZINC000104177782 219355528 /nfs/dbraw/zinc/35/55/28/219355528.db2.gz SSEKBSIYOWNYLK-UHFFFAOYSA-N 0 0 332.639 5.073 10 0 EKAERN NC(=S)c1ccc(Oc2cc(Cl)ccc2Cl)c(Cl)c1 ZINC000104179127 219355908 /nfs/dbraw/zinc/35/59/08/219355908.db2.gz LAYGHZTWKFBXEE-UHFFFAOYSA-N 0 0 332.639 5.073 10 0 EKAERN Clc1ccc(Oc2ccc3cc(Br)ccc3c2)nc1 ZINC000104179482 219355807 /nfs/dbraw/zinc/35/58/07/219355807.db2.gz GDCJRXLPVWDZHD-UHFFFAOYSA-N 0 0 334.600 5.443 10 0 EKAERN CC(=O)c1ccc(Sc2cccc(Br)c2)c(Cl)c1 ZINC000104179875 219356109 /nfs/dbraw/zinc/35/61/09/219356109.db2.gz QKOLHSGOZCWDNV-UHFFFAOYSA-N 0 0 341.657 5.456 10 0 EKAERN Nc1cnc2ccc(Br)cc2c1SC1CCCCC1 ZINC000104180881 219355900 /nfs/dbraw/zinc/35/59/00/219355900.db2.gz MKCMLKRWUNMVTD-UHFFFAOYSA-N 0 0 337.286 5.004 10 0 EKAERN Cc1cc(C=O)ccc1Oc1ccc(Cl)cc1Br ZINC000104181028 219355897 /nfs/dbraw/zinc/35/58/97/219355897.db2.gz WPWGTBRPQLLZRY-UHFFFAOYSA-N 0 0 325.589 5.016 10 0 EKAERN NC(=S)c1ccc(Nc2cc(Cl)ccc2Cl)c(Cl)c1 ZINC000104181262 219355434 /nfs/dbraw/zinc/35/54/34/219355434.db2.gz STBIOVSSBSTIND-UHFFFAOYSA-N 0 0 331.655 5.025 10 0 EKAERN Cc1cc(Br)ccc1Oc1ncc(Cl)cc1Cl ZINC000104181539 219355749 /nfs/dbraw/zinc/35/57/49/219355749.db2.gz GTFLYKTYOMFHTJ-UHFFFAOYSA-N 0 0 333.012 5.252 10 0 EKAERN Cc1ccc(C)c(CC(=O)c2ccc(Br)cc2Cl)c1 ZINC000104181644 219355819 /nfs/dbraw/zinc/35/58/19/219355819.db2.gz AMUJOBZDPVQUBR-UHFFFAOYSA-N 0 0 337.644 5.145 10 0 EKAERN NC(=S)c1c(Cl)cccc1Nc1cccc(Cl)c1Cl ZINC000104182102 219355388 /nfs/dbraw/zinc/35/53/88/219355388.db2.gz IUQSCUAASVPFBA-UHFFFAOYSA-N 0 0 331.655 5.025 10 0 EKAERN O[C@@H](Cc1ccccc1Cl)c1ccc(Br)cc1Cl ZINC000104183104 219356559 /nfs/dbraw/zinc/35/65/59/219356559.db2.gz DFUQDJBURREUIV-AWEZNQCLSA-N 0 0 346.051 5.032 10 0 EKAERN O[C@H](Cc1ccccc1Cl)c1ccc(Br)cc1Cl ZINC000104183108 219356358 /nfs/dbraw/zinc/35/63/58/219356358.db2.gz DFUQDJBURREUIV-CQSZACIVSA-N 0 0 346.051 5.032 10 0 EKAERN O[C@@H](Cc1cccc(Cl)c1)c1cc(Br)ccc1Cl ZINC000104183133 204100089 /nfs/dbraw/zinc/10/00/89/204100089.db2.gz RXNKXMPCNVEFNR-AWEZNQCLSA-N 0 0 346.051 5.032 10 0 EKAERN O[C@H](Cc1cccc(Cl)c1)c1cc(Br)ccc1Cl ZINC000104183137 204100134 /nfs/dbraw/zinc/10/01/34/204100134.db2.gz RXNKXMPCNVEFNR-CQSZACIVSA-N 0 0 346.051 5.032 10 0 EKAERN O[C@@H](Cc1cccc(Cl)c1)c1ccc(Br)cc1Cl ZINC000104183979 204100554 /nfs/dbraw/zinc/10/05/54/204100554.db2.gz LQURNYOSLAIKMZ-AWEZNQCLSA-N 0 0 346.051 5.032 10 0 EKAERN O[C@H](Cc1cccc(Cl)c1)c1ccc(Br)cc1Cl ZINC000104183980 219356848 /nfs/dbraw/zinc/35/68/48/219356848.db2.gz LQURNYOSLAIKMZ-CQSZACIVSA-N 0 0 346.051 5.032 10 0 EKAERN O[C@@H](Cc1ccc(Cl)c(Cl)c1)c1c(Cl)cccc1Cl ZINC000104183987 206487392 /nfs/dbraw/zinc/48/73/92/206487392.db2.gz PONHYIDNNRZAJV-ZDUSSCGKSA-N 0 0 336.045 5.576 10 0 EKAERN CC(=O)c1ccc(Oc2ccc(F)cc2Br)c(Cl)c1 ZINC000104185561 219357145 /nfs/dbraw/zinc/35/71/45/219357145.db2.gz UOVQENJDROXHPZ-UHFFFAOYSA-N 0 0 343.579 5.237 10 0 EKAERN NC(=S)c1c(Cl)cccc1Nc1cc(Cl)cc(Cl)c1 ZINC000104185919 219356442 /nfs/dbraw/zinc/35/64/42/219356442.db2.gz YPXUQGNVHXJBPT-UHFFFAOYSA-N 0 0 331.655 5.025 10 0 EKAERN Cc1cc(Br)c2nc(C(F)(F)F)c(C)c(Cl)c2c1 ZINC000104204756 219360751 /nfs/dbraw/zinc/36/07/51/219360751.db2.gz BBFMCMMBFPCLQZ-UHFFFAOYSA-N 0 0 338.554 5.286 10 0 EKAERN CCc1c(Cl)ncnc1Oc1cc(Cl)c(Cl)cc1Cl ZINC000104212213 204101774 /nfs/dbraw/zinc/10/17/74/204101774.db2.gz ADFVVFWWDRLCEI-UHFFFAOYSA-N 0 0 338.021 5.445 10 0 EKAERN Nc1ccc(Oc2ccc(Cl)cc2Br)c(C(F)F)c1 ZINC000104222702 219361381 /nfs/dbraw/zinc/36/13/81/219361381.db2.gz AOKZVDSTFMVYBA-UHFFFAOYSA-N 0 0 348.574 5.415 10 0 EKAERN Cc1cc(Nc2ccc(N)cc2C(F)F)ccc1Br ZINC000104226067 219363462 /nfs/dbraw/zinc/36/34/62/219363462.db2.gz PERLOWHYXBHMKB-UHFFFAOYSA-N 0 0 327.172 5.021 10 0 EKAERN Cc1ccc(Br)cc1Nc1ncnc(Cl)c1C(C)C ZINC000104227867 219362961 /nfs/dbraw/zinc/36/29/61/219362961.db2.gz OKFYJACKLODOAR-UHFFFAOYSA-N 0 0 340.652 5.068 10 0 EKAERN Clc1cc(Oc2ccc3cc(Br)ccc3c2)ccn1 ZINC000104266838 219367029 /nfs/dbraw/zinc/36/70/29/219367029.db2.gz HRJPICKRHLSLPP-UHFFFAOYSA-N 0 0 334.600 5.443 10 0 EKAERN CCC[NH2+][C@@H](CCc1cccs1)c1ccccc1Br ZINC000104271919 219368475 /nfs/dbraw/zinc/36/84/75/219368475.db2.gz CJMPJPUURBMUOD-INIZCTEOSA-N 0 0 338.314 5.184 10 0 EKAERN CCC[NH2+][C@H](CCc1cccs1)c1ccccc1Br ZINC000104271922 219368482 /nfs/dbraw/zinc/36/84/82/219368482.db2.gz CJMPJPUURBMUOD-MRXNPFEDSA-N 0 0 338.314 5.184 10 0 EKAERN C[C@@H](O)c1ccc(Sc2ccc(Cl)cc2)c(Br)c1 ZINC000104283945 219369287 /nfs/dbraw/zinc/36/92/87/219369287.db2.gz GCPNGFHSERWADM-SECBINFHSA-N 0 0 343.673 5.307 10 0 EKAERN O=Cc1ccc(Br)cc1Sc1cccc(Cl)c1 ZINC000104286845 219370636 /nfs/dbraw/zinc/37/06/36/219370636.db2.gz CCSJFUPNAFVMRU-UHFFFAOYSA-N 0 0 327.630 5.066 10 0 EKAERN Cc1c(C)c(C)c(C(=O)c2sccc2Br)c(C)c1C ZINC000104289213 219370989 /nfs/dbraw/zinc/37/09/89/219370989.db2.gz FIGKTFHQXBYKPS-UHFFFAOYSA-N 0 0 337.282 5.284 10 0 EKAERN CC(C)c1ccc(Sc2cc(Br)ccc2CO)cc1 ZINC000104289899 219370446 /nfs/dbraw/zinc/37/04/46/219370446.db2.gz ZCJRFYNLBVJRCM-UHFFFAOYSA-N 0 0 337.282 5.216 10 0 EKAERN O=Cc1c(Cl)cccc1Sc1ccc(Br)cc1 ZINC000104291376 219370310 /nfs/dbraw/zinc/37/03/10/219370310.db2.gz GIVOOECMEDSVEG-UHFFFAOYSA-N 0 0 327.630 5.066 10 0 EKAERN C[C@H](O)c1ccc(Sc2ccccc2Cl)c(Br)c1 ZINC000104292095 219371100 /nfs/dbraw/zinc/37/11/00/219371100.db2.gz KDCCDWCCPZPAJE-VIFPVBQESA-N 0 0 343.673 5.307 10 0 EKAERN C[C@@H](O)c1ccc(Sc2ccccc2Cl)c(Br)c1 ZINC000104292098 219371084 /nfs/dbraw/zinc/37/10/84/219371084.db2.gz KDCCDWCCPZPAJE-SECBINFHSA-N 0 0 343.673 5.307 10 0 EKAERN O=Cc1c(Cl)cccc1Sc1cccc(Br)c1 ZINC000104295225 219372168 /nfs/dbraw/zinc/37/21/68/219372168.db2.gz SALLEVCDNFMUDZ-UHFFFAOYSA-N 0 0 327.630 5.066 10 0 EKAERN Cc1ccc(Sc2ccc([C@H](C)O)cc2Br)c(C)c1 ZINC000104295993 219371624 /nfs/dbraw/zinc/37/16/24/219371624.db2.gz LNJYGKKNXMSGGO-LBPRGKRZSA-N 0 0 337.282 5.270 10 0 EKAERN Cc1ccc(Sc2ccc([C@@H](C)O)cc2Br)cc1C ZINC000104296007 219371869 /nfs/dbraw/zinc/37/18/69/219371869.db2.gz FTNLQLCOCIIYJJ-GFCCVEGCSA-N 0 0 337.282 5.270 10 0 EKAERN Cc1ccc(Sc2ccc([C@H](C)O)cc2Br)cc1C ZINC000104296013 219371986 /nfs/dbraw/zinc/37/19/86/219371986.db2.gz FTNLQLCOCIIYJJ-LBPRGKRZSA-N 0 0 337.282 5.270 10 0 EKAERN C[C@H](O)c1ccc(Sc2ccccc2Br)c(Cl)c1 ZINC000104296042 204104289 /nfs/dbraw/zinc/10/42/89/204104289.db2.gz NBICPWBISSYESZ-VIFPVBQESA-N 0 0 343.673 5.307 10 0 EKAERN C[C@@H](O)c1ccc(Sc2ccccc2Br)c(Cl)c1 ZINC000104296047 204105014 /nfs/dbraw/zinc/10/50/14/204105014.db2.gz NBICPWBISSYESZ-SECBINFHSA-N 0 0 343.673 5.307 10 0 EKAERN CCc1oc2ccccc2c1C(=O)c1sccc1Br ZINC000104296486 204105417 /nfs/dbraw/zinc/10/54/17/204105417.db2.gz VIAZYWVFTWJWPG-UHFFFAOYSA-N 0 0 335.222 5.050 10 0 EKAERN CC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1sccc1Br ZINC000104296534 219371565 /nfs/dbraw/zinc/37/15/65/219371565.db2.gz AFSUSQYRTGKZIT-ZDUSSCGKSA-N 0 0 344.705 5.057 10 0 EKAERN CC[NH2+][C@H](Cc1ccc(Cl)cc1)c1sccc1Br ZINC000104296540 219372134 /nfs/dbraw/zinc/37/21/34/219372134.db2.gz AFSUSQYRTGKZIT-CYBMUJFWSA-N 0 0 344.705 5.057 10 0 EKAERN CCC[NH2+][C@@H](Cc1ccccc1C)c1sccc1Br ZINC000104297798 219371924 /nfs/dbraw/zinc/37/19/24/219371924.db2.gz WIGJGWQGLMXQNU-HNNXBMFYSA-N 0 0 338.314 5.102 10 0 EKAERN CCC[NH2+][C@H](Cc1ccccc1C)c1sccc1Br ZINC000104297802 219371530 /nfs/dbraw/zinc/37/15/30/219371530.db2.gz WIGJGWQGLMXQNU-OAHLLOKOSA-N 0 0 338.314 5.102 10 0 EKAERN Cc1ccccc1CSc1ccc([C@@H](C)O)cc1Br ZINC000104298691 219372154 /nfs/dbraw/zinc/37/21/54/219372154.db2.gz VJOTXMSJQGWKJS-GFCCVEGCSA-N 0 0 337.282 5.103 10 0 EKAERN Cc1ccccc1CSc1ccc([C@H](C)O)cc1Br ZINC000104298697 219371888 /nfs/dbraw/zinc/37/18/88/219371888.db2.gz VJOTXMSJQGWKJS-LBPRGKRZSA-N 0 0 337.282 5.103 10 0 EKAERN CCC[NH2+][C@H](Cc1cccc(C)c1)c1sccc1Br ZINC000104299127 219372226 /nfs/dbraw/zinc/37/22/26/219372226.db2.gz JCCFKYKJMPUKRP-OAHLLOKOSA-N 0 0 338.314 5.102 10 0 EKAERN CCCCCN(CCCCC)C(=O)c1sccc1Br ZINC000104300363 219371961 /nfs/dbraw/zinc/37/19/61/219371961.db2.gz DQTAFJMBOVUQMX-UHFFFAOYSA-N 0 0 346.334 5.333 10 0 EKAERN CC[NH2+]Cc1ccc(Br)cc1Sc1ccc(C)cc1 ZINC000104300598 219371827 /nfs/dbraw/zinc/37/18/27/219371827.db2.gz SHEGTUDSBYRHFL-UHFFFAOYSA-N 0 0 336.298 5.018 10 0 EKAERN C[NH2+]Cc1c(Cl)cccc1Sc1cc(Cl)ccc1Cl ZINC000104300606 219371915 /nfs/dbraw/zinc/37/19/15/219371915.db2.gz HXVRMMKCNGSWLC-UHFFFAOYSA-N 0 0 332.683 5.517 10 0 EKAERN Cc1ccc(CNc2cc(Br)ccc2Cl)cc1F ZINC000104330153 219375728 /nfs/dbraw/zinc/37/57/28/219375728.db2.gz PBEDMNCPNWHDNG-UHFFFAOYSA-N 0 0 328.612 5.162 10 0 EKAERN CSc1ccccc1Oc1ccc([C@H](C)O)cc1Br ZINC000104336816 219375915 /nfs/dbraw/zinc/37/59/15/219375915.db2.gz SLTQQEVDCUNTTB-JTQLQIEISA-N 0 0 339.254 5.017 10 0 EKAERN CSc1ccccc1Oc1ccc([C@@H](C)O)cc1Br ZINC000104336823 219375771 /nfs/dbraw/zinc/37/57/71/219375771.db2.gz SLTQQEVDCUNTTB-SNVBAGLBSA-N 0 0 339.254 5.017 10 0 EKAERN CSc1ccc(Oc2ccc([C@H](C)O)cc2Br)cc1 ZINC000104340364 219376790 /nfs/dbraw/zinc/37/67/90/219376790.db2.gz VECWZXJJFKUXBB-JTQLQIEISA-N 0 0 339.254 5.017 10 0 EKAERN CSc1ccccc1Oc1ccc(C(C)=O)cc1Br ZINC000104345374 219376663 /nfs/dbraw/zinc/37/66/63/219376663.db2.gz WCZGWPVZDSVFDG-UHFFFAOYSA-N 0 0 337.238 5.166 10 0 EKAERN Clc1cccc(N[C@@H]2CCc3cc(Br)ccc3C2)c1 ZINC000104356546 219377554 /nfs/dbraw/zinc/37/75/54/219377554.db2.gz JUZGMZIRDQWYDH-MRXNPFEDSA-N 0 0 336.660 5.072 10 0 EKAERN CCOc1ccc(Br)cc1C(=O)C[C@@H](C)C(C)(C)C ZINC000104434068 219387614 /nfs/dbraw/zinc/38/76/14/219387614.db2.gz VMKJCCCJLUUNKS-LLVKDONJSA-N 0 0 327.262 5.103 10 0 EKAERN CCOc1ccc(Br)cc1C(=O)C[C@H](C)C(C)(C)C ZINC000104434072 204108593 /nfs/dbraw/zinc/10/85/93/204108593.db2.gz VMKJCCCJLUUNKS-NSHDSACASA-N 0 0 327.262 5.103 10 0 EKAERN CCC(CC)[C@@H](C)Nc1nc2cc(Br)ccc2s1 ZINC000104445771 204108741 /nfs/dbraw/zinc/10/87/41/204108741.db2.gz DSVZFYFFGYMWHR-SECBINFHSA-N 0 0 327.291 5.295 10 0 EKAERN CCC(CC)[C@H](C)Nc1nc2cc(Br)ccc2s1 ZINC000104445774 204109558 /nfs/dbraw/zinc/10/95/58/204109558.db2.gz DSVZFYFFGYMWHR-VIFPVBQESA-N 0 0 327.291 5.295 10 0 EKAERN Cc1cc(O)c2c(c1)O[C@]1(C)CC[C@H]3[C@]4(CO[C@H]2[C@H]41)CCCC3(C)C ZINC000105224072 204138916 /nfs/dbraw/zinc/13/89/16/204138916.db2.gz UGGAILYEBCSZIV-ILMFXRJHSA-N 0 0 342.479 5.146 10 0 EKAERN COc1ccc(-c2csc(-c3ccc(Br)cc3)n2)cc1 ZINC000105651714 219509036 /nfs/dbraw/zinc/50/90/36/219509036.db2.gz ZBRPBHBZVAHECR-UHFFFAOYSA-N 0 0 346.249 5.248 10 0 EKAERN Brc1ccc(-c2ccc(CNc3ccccc3)o2)cc1 ZINC000106951449 564177760 /nfs/dbraw/zinc/17/77/60/564177760.db2.gz BMMWFFQVHHWRCU-UHFFFAOYSA-N 0 0 328.209 5.321 10 0 EKAERN Cc1ccc(NCc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000106951469 564177745 /nfs/dbraw/zinc/17/77/45/564177745.db2.gz VHQSQVCQQKSQOU-UHFFFAOYSA-N 0 0 342.236 5.630 10 0 EKAERN Clc1ccc(-c2ccc(CNc3cccc4ccccc43)o2)cc1 ZINC000106951780 564177752 /nfs/dbraw/zinc/17/77/52/564177752.db2.gz KPLPWNRHMVBWLL-UHFFFAOYSA-N 0 0 333.818 6.365 10 0 EKAERN O[C@@H](c1ccc(Br)cc1)c1ccc(-c2ccccc2)cc1 ZINC000109783165 219990111 /nfs/dbraw/zinc/99/01/11/219990111.db2.gz CTTBXGCWPRXIGO-LJQANCHMSA-N 0 0 339.232 5.198 10 0 EKAERN Brc1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1 ZINC000109969530 220006506 /nfs/dbraw/zinc/00/65/06/220006506.db2.gz HFKFZSLXECSCKD-UHFFFAOYSA-N 0 0 342.192 5.429 10 0 EKAERN Clc1ccc(Oc2nc(Cl)nc3ccccc32)c(Cl)c1 ZINC000110240081 220025906 /nfs/dbraw/zinc/02/59/06/220025906.db2.gz WVJQCQHALNSODF-UHFFFAOYSA-N 0 0 325.582 5.382 10 0 EKAERN Clc1nc2ccccc2c(Oc2ccc(Cl)c(Cl)c2)n1 ZINC000110241154 220026279 /nfs/dbraw/zinc/02/62/79/220026279.db2.gz KIFLBBUSHKWSPF-UHFFFAOYSA-N 0 0 325.582 5.382 10 0 EKAERN CC[C@@H]1CCCC[C@@H]1n1c2ccc(Br)cc2[nH]c1=S ZINC000110420930 220035469 /nfs/dbraw/zinc/03/54/69/220035469.db2.gz YALKZRMVMGRPLY-MFKMUULPSA-N 0 0 339.302 5.229 10 0 EKAERN CC[C@H]1CCCC[C@@H]1n1c2ccc(Br)cc2[nH]c1=S ZINC000110420933 220035543 /nfs/dbraw/zinc/03/55/43/220035543.db2.gz YALKZRMVMGRPLY-GWCFXTLKSA-N 0 0 339.302 5.229 10 0 EKAERN CCCCCC[C@@H](O)c1ccc(Br)cc1C(F)(F)F ZINC000110462748 220037604 /nfs/dbraw/zinc/03/76/04/220037604.db2.gz JOGQHIHYRYXLAC-CYBMUJFWSA-N 0 0 339.195 5.472 10 0 EKAERN CCCc1c(Cl)nc(-c2ccccc2Br)nc1Cl ZINC000110920386 220079539 /nfs/dbraw/zinc/07/95/39/220079539.db2.gz QDYRSBCZRDUXOL-UHFFFAOYSA-N 0 0 346.055 5.165 10 0 EKAERN CCCCCCCCCCCCCC/C=C/[N+](C)(C)CC(=O)[O-] ZINC000111404601 717148323 /nfs/dbraw/zinc/14/83/23/717148323.db2.gz QXEIANCKXCCTMW-ISLYRVAYSA-O 0 0 326.545 5.752 10 0 EKAERN CCCCCCCCCCCCCCCCC[N+](C)(C)CC(=O)[O-] ZINC000111404662 717148302 /nfs/dbraw/zinc/14/83/02/717148302.db2.gz DPKSVOCGPSFPPK-UHFFFAOYSA-O 0 0 342.588 6.019 10 0 EKAERN O[C@H](Cc1ccc(Br)cc1)c1cccc(Cl)c1Cl ZINC000111817257 220197602 /nfs/dbraw/zinc/19/76/02/220197602.db2.gz SZYIWOGLJDSVNG-CYBMUJFWSA-N 0 0 346.051 5.032 10 0 EKAERN O[C@@H](Cc1ccc(Br)cc1)c1cccc(Cl)c1Cl ZINC000111817259 220198342 /nfs/dbraw/zinc/19/83/42/220198342.db2.gz SZYIWOGLJDSVNG-ZDUSSCGKSA-N 0 0 346.051 5.032 10 0 EKAERN O[C@@H](Cc1cccc(Br)c1)c1cccc(Cl)c1Cl ZINC000111817379 220198697 /nfs/dbraw/zinc/19/86/97/220198697.db2.gz QBWKTMBGMGDWQY-ZDUSSCGKSA-N 0 0 346.051 5.032 10 0 EKAERN O[C@H](Cc1cccc(Br)c1)c1cccc(Cl)c1Cl ZINC000111817381 220197280 /nfs/dbraw/zinc/19/72/80/220197280.db2.gz QBWKTMBGMGDWQY-CYBMUJFWSA-N 0 0 346.051 5.032 10 0 EKAERN O[C@@H](Cc1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1 ZINC000111820032 204375429 /nfs/dbraw/zinc/37/54/29/204375429.db2.gz MULKQWJCZJKUGF-AWEZNQCLSA-N 0 0 346.051 5.032 10 0 EKAERN O[C@H](Cc1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1 ZINC000111820033 220197443 /nfs/dbraw/zinc/19/74/43/220197443.db2.gz MULKQWJCZJKUGF-CQSZACIVSA-N 0 0 346.051 5.032 10 0 EKAERN O[C@@H](Cc1cccc(Br)c1)c1c(Cl)cccc1Cl ZINC000111820068 220197422 /nfs/dbraw/zinc/19/74/22/220197422.db2.gz PIGUGHSWJNDLAQ-ZDUSSCGKSA-N 0 0 346.051 5.032 10 0 EKAERN O[C@H](Cc1cccc(Br)c1)c1c(Cl)cccc1Cl ZINC000111820071 220198866 /nfs/dbraw/zinc/19/88/66/220198866.db2.gz PIGUGHSWJNDLAQ-CYBMUJFWSA-N 0 0 346.051 5.032 10 0 EKAERN c1ccc2c(c1)Cc1cc(-c3ccc4c(c3)Cc3ccccc3-4)ccc1-2 ZINC000111873435 220216501 /nfs/dbraw/zinc/21/65/01/220216501.db2.gz QUBGBARTKXHDBT-UHFFFAOYSA-N 0 0 330.430 6.496 10 0 EKAERN c1ccc(C2=NN(c3cccc4ccccc43)[C@H](c3ccccc3)C2)cc1 ZINC000113861595 220602789 /nfs/dbraw/zinc/60/27/89/220602789.db2.gz HGOQOGVCHWOADA-VWLOTQADSA-N 0 0 348.449 6.196 10 0 EKAERN COC(=O)c1ccc2c(c1)[nH]c(-c1ccccc1)c2C1=CCCCC1 ZINC000115392349 220842187 /nfs/dbraw/zinc/84/21/87/220842187.db2.gz APUHQLOCOQOILB-UHFFFAOYSA-N 0 0 331.415 5.579 10 0 EKAERN CCOC(OCC)c1ccc(CNc2ccc(C(C)C)cc2)cc1 ZINC000117292165 221046267 /nfs/dbraw/zinc/04/62/67/221046267.db2.gz SWPVADBYJOAFAY-UHFFFAOYSA-N 0 0 327.468 5.494 10 0 EKAERN Fc1ccc(Oc2ccc3c(c2)[nH]nc3N2Cc3ccccc3C2)cc1 ZINC000118904201 221202695 /nfs/dbraw/zinc/20/26/95/221202695.db2.gz IOFOIMBBFZNIOG-UHFFFAOYSA-N 0 0 345.377 5.015 10 0 EKAERN COc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 ZINC000136439749 223648297 /nfs/dbraw/zinc/64/82/97/223648297.db2.gz YCZWNYIPLGIGCY-UHFFFAOYSA-N 0 0 338.410 5.486 10 0 EKAERN COc1ccc2[nH]c(-c3ccccc3)cc2c1OCc1ccccc1 ZINC000137931147 533230769 /nfs/dbraw/zinc/23/07/69/533230769.db2.gz PZGGOQCCVQODKI-UHFFFAOYSA-N 0 0 329.399 5.423 10 0 EKAERN CCCCc1c/c(=N/O)oc2cc3c(cc12)CCC1(CCCCC1)O3 ZINC000138027899 564129534 /nfs/dbraw/zinc/12/95/34/564129534.db2.gz IDKNOVDPZHNZLG-XDOYNYLZSA-N 0 0 341.451 5.093 10 0 EKAERN CCCn1c(C)c(Cl)c2ccnc(NCc3ccc(F)cc3C)c21 ZINC000146006675 528810600 /nfs/dbraw/zinc/81/06/00/528810600.db2.gz HPSLBNZAFYEOEX-UHFFFAOYSA-N 0 0 345.849 5.468 10 0 EKAERN Cc1ccc2ccccc2c1C(=O)c1cccc(Br)c1 ZINC000160809696 202140937 /nfs/dbraw/zinc/14/09/37/202140937.db2.gz UBCAGRYWIUFCSU-UHFFFAOYSA-N 0 0 325.205 5.142 10 0 EKAERN O=C(Cc1ccccc1Br)c1csc2ccccc12 ZINC000164074119 226042660 /nfs/dbraw/zinc/04/26/60/226042660.db2.gz FJIIMAGZEPVVJT-UHFFFAOYSA-N 0 0 331.234 5.089 10 0 EKAERN Clc1cccc(-c2cnoc2-c2c[nH]c3ncccc23)c1Cl ZINC000165506309 226126309 /nfs/dbraw/zinc/12/63/09/226126309.db2.gz AGXMUVBENROTSS-UHFFFAOYSA-N 0 0 330.174 5.192 10 0 EKAERN CC(C)=CSc1ccc(-c2nc3n(c2-c2ccncc2)CCC3)cc1 ZINC000165669392 527455158 /nfs/dbraw/zinc/45/51/58/527455158.db2.gz HMVGHUVQRUVBRY-UHFFFAOYSA-N 0 0 347.487 5.574 10 0 EKAERN Cc1cc(O)c2c(c1)O[C@]1(C)CC[C@@H]3[C@]4(CO[C@@H]2[C@H]41)CCCC3(C)C ZINC000169292327 206548991 /nfs/dbraw/zinc/54/89/91/206548991.db2.gz UGGAILYEBCSZIV-OWUOWLPPSA-N 0 0 342.479 5.146 10 0 in-man EKAERN Cc1[nH]c2ccccc2c(=O)c1-c1ccc(Oc2ccccc2)cc1 ZINC000169345105 226549516 /nfs/dbraw/zinc/54/95/16/226549516.db2.gz JBRVAEVTSWMFNY-UHFFFAOYSA-N 0 0 327.383 5.296 10 0 EKAERN FC(F)(F)CCCCCCCCCCCCCCCC(F)(F)F ZINC000169795192 206565688 /nfs/dbraw/zinc/56/56/88/206565688.db2.gz GEQXOOPUCARJNH-UHFFFAOYSA-N 0 0 348.415 7.963 10 0 EKAERN Nc1ccccc1NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000178376417 232149639 /nfs/dbraw/zinc/14/96/39/232149639.db2.gz YYDVNSHHWNXMNS-UHFFFAOYSA-N 0 0 337.231 5.043 10 0 EKAERN COc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1 ZINC000196150106 241034613 /nfs/dbraw/zinc/03/46/13/241034613.db2.gz YKJNSHHHDTZEIM-UHFFFAOYSA-N 0 0 336.434 6.696 10 0 EKAERN CCOC(=O)c1c2ccccc2n(-c2ccccc2)c1-c1ccccc1 ZINC000196297903 241034490 /nfs/dbraw/zinc/03/44/90/241034490.db2.gz MUUYMFLGUFXWNS-UHFFFAOYSA-N 0 0 341.410 5.474 10 0 EKAERN c1ccc(-c2nc3cc(C45CC6CC(CC(C6)C4)C5)ccc3[nH]2)cc1 ZINC000196628784 241035658 /nfs/dbraw/zinc/03/56/58/241035658.db2.gz OETOYNSIUMVENX-UHFFFAOYSA-N 0 0 328.459 5.698 10 0 EKAERN CC(=O)Nc1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1 ZINC000196984710 241035850 /nfs/dbraw/zinc/03/58/50/241035850.db2.gz MOXCRKPENKYUPW-UHFFFAOYSA-N 0 0 331.536 5.018 10 0 EKAERN S=C(N[C@H]1C[C@H]2C=C[C@@H]1C2)NC1CCCCCCCCCCC1 ZINC000197181604 241035344 /nfs/dbraw/zinc/03/53/44/241035344.db2.gz PWSUGUCXRNRBFZ-SCTDSRPQSA-N 0 0 334.573 5.088 10 0 EKAERN O[C@@H](c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1Cl ZINC000197340041 241034554 /nfs/dbraw/zinc/03/45/54/241034554.db2.gz CZKFIEHJHQJONL-IBGZPJMESA-N 0 0 329.226 5.742 10 0 EKAERN O[C@H](c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1Cl ZINC000197340052 241035876 /nfs/dbraw/zinc/03/58/76/241035876.db2.gz CZKFIEHJHQJONL-LJQANCHMSA-N 0 0 329.226 5.742 10 0 EKAERN COc1cccc2c1ncc(Br)c2Nc1ccccc1C ZINC000199871617 241040876 /nfs/dbraw/zinc/04/08/76/241040876.db2.gz ZEVOHVNYTRXGAV-UHFFFAOYSA-N 0 0 343.224 5.058 10 0 EKAERN CC(C)[Si](C(C)C)(C(C)C)n1ccc2c1nccc2C(F)(F)F ZINC000201345440 535311899 /nfs/dbraw/zinc/31/18/99/535311899.db2.gz KQCOEAPBYWQHNL-UHFFFAOYSA-N 0 0 342.481 6.079 10 0 EKAERN CCCCN(CCCC)C(=O)c1cccc2cc([Si](C)(C)C)oc21 ZINC000203621351 241041876 /nfs/dbraw/zinc/04/18/76/241041876.db2.gz DRGMRYXYABVCTQ-UHFFFAOYSA-N 0 0 345.559 5.020 10 0 EKAERN Brc1cccc(-c2[nH]c3ccccc3c2-c2ccccc2)c1 ZINC000211639605 532966476 /nfs/dbraw/zinc/96/64/76/532966476.db2.gz WHUBSGCURLBFSF-UHFFFAOYSA-N 0 0 348.243 6.264 10 0 EKAERN Cc1nn(C(=O)OC(C)(C)C)c2cc(Oc3ccc(F)cc3)ccc12 ZINC000211848635 241085049 /nfs/dbraw/zinc/08/50/49/241085049.db2.gz ZRXKIJPVACXLCS-UHFFFAOYSA-N 0 0 342.370 5.059 10 0 EKAERN CC(C)(C)OC(=O)Nc1ccc(Nc2ccc3ccccc3c2N)cc1 ZINC000215615354 563981308 /nfs/dbraw/zinc/98/13/08/563981308.db2.gz PBVYPUCPGHHLTF-UHFFFAOYSA-N 0 0 349.434 5.513 10 0 EKAERN FC(F)(F)c1cc(-c2cc(Cl)cc(Cl)c2)nc(Cl)n1 ZINC000216615005 241202560 /nfs/dbraw/zinc/20/25/60/241202560.db2.gz JZPVMUSSIYNRJI-UHFFFAOYSA-N 0 0 327.520 5.123 10 0 EKAERN O=C(c1sc(Cl)nc1C(F)(F)F)c1ccc2ccccc2c1 ZINC000217010608 241231553 /nfs/dbraw/zinc/23/15/53/241231553.db2.gz PGMACTGXBPZOCP-UHFFFAOYSA-N 0 0 341.741 5.200 10 0 EKAERN O=C(c1sc(Cl)nc1C(F)(F)F)c1cccc2ccccc21 ZINC000217010668 241228731 /nfs/dbraw/zinc/22/87/31/241228731.db2.gz TZVLUNDNSGNRQV-UHFFFAOYSA-N 0 0 341.741 5.200 10 0 EKAERN FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(-c2ccccc2)n1 ZINC000217031285 241233035 /nfs/dbraw/zinc/23/30/35/241233035.db2.gz XRXBLMVMYDDVMQ-UHFFFAOYSA-N 0 0 334.728 5.483 10 0 EKAERN FC(F)(F)c1cc(-c2cccc(Cl)c2)nc(-c2ccccc2)n1 ZINC000217031349 241233118 /nfs/dbraw/zinc/23/31/18/241233118.db2.gz WMYWZHSZWYMCPK-UHFFFAOYSA-N 0 0 334.728 5.483 10 0 EKAERN FC(F)(F)c1cc(-c2ccccc2Cl)nc(-c2ccccc2)n1 ZINC000217031400 241234283 /nfs/dbraw/zinc/23/42/83/241234283.db2.gz NMEGMGUPVJQANU-UHFFFAOYSA-N 0 0 334.728 5.483 10 0 EKAERN CSc1nc(-c2ccc(Cl)cc2Cl)cc(C(F)(F)F)n1 ZINC000217033156 241233426 /nfs/dbraw/zinc/23/34/26/241233426.db2.gz QPVPHWNJYZVHEH-UHFFFAOYSA-N 0 0 339.169 5.191 10 0 EKAERN CSc1nc(-c2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)n1 ZINC000217033211 241234173 /nfs/dbraw/zinc/23/41/73/241234173.db2.gz RNLBGVNAXUINSN-UHFFFAOYSA-N 0 0 339.169 5.191 10 0 EKAERN CSc1nc(-c2cc(Cl)cc(Cl)c2)cc(C(F)(F)F)n1 ZINC000217033271 241232673 /nfs/dbraw/zinc/23/26/73/241232673.db2.gz NCURCXGWCWCYDZ-UHFFFAOYSA-N 0 0 339.169 5.191 10 0 EKAERN CSc1nc(-c2cc(Cl)ccc2Cl)cc(C(F)(F)F)n1 ZINC000217033335 241234432 /nfs/dbraw/zinc/23/44/32/241234432.db2.gz HFGSKOJAASVVNQ-UHFFFAOYSA-N 0 0 339.169 5.191 10 0 EKAERN CCCCC/C=C\C/C=C\CCC/C=C/C=C/C(=O)N1CCCCC1 ZINC000225454068 534959464 /nfs/dbraw/zinc/95/94/64/534959464.db2.gz ZIEPIRVCAKINMK-GCGSHVELSA-N 0 0 343.555 6.364 10 0 EKAERN CC(C)c1ccc2oc(C(c3ccccc3)c3ccccc3)nc2c1 ZINC000226236538 205118668 /nfs/dbraw/zinc/11/86/68/205118668.db2.gz SVMVXACWRUGQSU-UHFFFAOYSA-N 0 0 327.427 6.131 10 0 EKAERN Cc1ccccc1NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000226239953 242090731 /nfs/dbraw/zinc/09/07/31/242090731.db2.gz GZSKGAFDHNFEAN-UHFFFAOYSA-N 0 0 342.236 5.630 10 0 EKAERN Cc1cccc(NCc2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000226239967 242091262 /nfs/dbraw/zinc/09/12/62/242091262.db2.gz ANLFGLZPFYDSJK-UHFFFAOYSA-N 0 0 342.236 5.630 10 0 EKAERN CC(C)c1ccc(NCc2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000226240020 201037225 /nfs/dbraw/zinc/03/72/25/201037225.db2.gz VWYXOEHMWAPXHR-UHFFFAOYSA-N 0 0 325.839 6.336 10 0 EKAERN CC(C)c1ccccc1NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000226240066 257843905 /nfs/dbraw/zinc/84/39/05/257843905.db2.gz OYIDFLOCHLJTOM-UHFFFAOYSA-N 0 0 325.839 6.336 10 0 EKAERN CCCCc1ccc(NCc2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000226240110 564117126 /nfs/dbraw/zinc/11/71/26/564117126.db2.gz LZIIUTHESCIGIW-UHFFFAOYSA-N 0 0 339.866 6.555 10 0 EKAERN Clc1ccc(-c2ccc(CNc3ccc4ccccc4c3)o2)cc1 ZINC000226240134 242091341 /nfs/dbraw/zinc/09/13/41/242091341.db2.gz UECPCQLRBCAQQG-UHFFFAOYSA-N 0 0 333.818 6.365 10 0 EKAERN COC(=O)/C=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 ZINC000226244491 564117150 /nfs/dbraw/zinc/11/71/50/564117150.db2.gz JCDKCGHQSMINCP-HWKANZROSA-N 0 0 331.582 5.093 10 0 EKAERN Cc1cc(-n2cccc2)cc2nc(-c3ccc(C(C)(C)C)cc3)oc21 ZINC000226246489 564117185 /nfs/dbraw/zinc/11/71/85/564117185.db2.gz UMBPWITWLQDNHK-UHFFFAOYSA-N 0 0 330.431 5.891 10 0 EKAERN c1ccn(-c2ccc3oc(-c4ccc(-c5ccccc5)cc4)nc3c2)c1 ZINC000226246545 257843992 /nfs/dbraw/zinc/84/39/92/257843992.db2.gz RWLCPFMBHBHGHM-UHFFFAOYSA-N 0 0 336.394 5.953 10 0 EKAERN Clc1cccc2c(-c3nc4cc(-n5cccc5)ccc4o3)cccc12 ZINC000226246799 564117208 /nfs/dbraw/zinc/11/72/08/564117208.db2.gz QSDUJUSNJVQONS-UHFFFAOYSA-N 0 0 344.801 6.092 10 0 EKAERN COc1ccc(-c2nc3cc(-n4cccc4)cc(C)c3o2)cc1Cl ZINC000226246923 564117202 /nfs/dbraw/zinc/11/72/02/564117202.db2.gz BZWOAZJLRRILKD-UHFFFAOYSA-N 0 0 338.794 5.256 10 0 EKAERN Brc1ccccc1-c1nc2cc(-n3cccc3)ccc2o1 ZINC000226247107 257843712 /nfs/dbraw/zinc/84/37/12/257843712.db2.gz FIRTUWOHIYYLAL-UHFFFAOYSA-N 0 0 339.192 5.048 10 0 EKAERN Brc1cccc(-c2nc3cc(-n4cccc4)ccc3o2)c1 ZINC000226247119 564117207 /nfs/dbraw/zinc/11/72/07/564117207.db2.gz OMQCJTPWBYNAPW-UHFFFAOYSA-N 0 0 339.192 5.048 10 0 EKAERN Brc1ccc(-c2nc3cc(-n4cccc4)ccc3o2)cc1 ZINC000226247601 201037288 /nfs/dbraw/zinc/03/72/88/201037288.db2.gz HCHQAWCRMQUHNK-UHFFFAOYSA-N 0 0 339.192 5.048 10 0 EKAERN Clc1cccc(-c2nc3cc(-n4cccc4)ccc3o2)c1Cl ZINC000226247761 564117193 /nfs/dbraw/zinc/11/71/93/564117193.db2.gz CHYVTYCKDOSQTP-UHFFFAOYSA-N 0 0 329.186 5.592 10 0 EKAERN Cc1cc(-n2cccc2)cc2nc(-c3cccc(Cl)c3Cl)oc21 ZINC000226247773 257843854 /nfs/dbraw/zinc/84/38/54/257843854.db2.gz QAFSQWZMGKTZMO-UHFFFAOYSA-N 0 0 343.213 5.901 10 0 EKAERN Clc1ccc(-c2nc3cc(-n4cccc4)ccc3o2)c(Cl)c1 ZINC000226247786 564117201 /nfs/dbraw/zinc/11/72/01/564117201.db2.gz CYGUUJYNESVCMT-UHFFFAOYSA-N 0 0 329.186 5.592 10 0 EKAERN Cc1cc(-n2cccc2)cc2nc(-c3ccc(Cl)cc3Cl)oc21 ZINC000226247797 201036972 /nfs/dbraw/zinc/03/69/72/201036972.db2.gz KBBKWVJQXNPKLA-UHFFFAOYSA-N 0 0 343.213 5.901 10 0 EKAERN Cc1cc(-n2cccc2)cc2nc(-c3ccc(Cl)c(Cl)c3)oc21 ZINC000226247807 257843896 /nfs/dbraw/zinc/84/38/96/257843896.db2.gz VAWXJGGJZXGUAS-UHFFFAOYSA-N 0 0 343.213 5.901 10 0 EKAERN Clc1ccc(-c2nc3cc(-n4cccc4)ccc3o2)cc1Cl ZINC000226247821 564117191 /nfs/dbraw/zinc/11/71/91/564117191.db2.gz PGQHEYUPYIEJES-UHFFFAOYSA-N 0 0 329.186 5.592 10 0 EKAERN Clc1ccc(Cl)c(-c2nc3cc(-n4cccc4)ccc3o2)c1 ZINC000226247831 201037064 /nfs/dbraw/zinc/03/70/64/201037064.db2.gz ZAKSMOVROWOPNG-UHFFFAOYSA-N 0 0 329.186 5.592 10 0 EKAERN Cc1cc(-n2cccc2)cc2nc(-c3cc(Cl)ccc3Cl)oc21 ZINC000226247842 564117192 /nfs/dbraw/zinc/11/71/92/564117192.db2.gz PEINTYNUFGGVLH-UHFFFAOYSA-N 0 0 343.213 5.901 10 0 EKAERN Cc1cc(-n2cccc2)cc2nc(-c3ccc(F)cc3Cl)oc21 ZINC000226248026 564117181 /nfs/dbraw/zinc/11/71/81/564117181.db2.gz BZOPXRCFTFRFGF-UHFFFAOYSA-N 0 0 326.758 5.386 10 0 EKAERN Fc1cc(Cl)c(-c2nc3cc(-n4cccc4)ccc3o2)cc1F ZINC000226248670 201037547 /nfs/dbraw/zinc/03/75/47/201037547.db2.gz OKRORKIPBOBEJZ-UHFFFAOYSA-N 0 0 330.721 5.217 10 0 EKAERN Cc1cc(-n2cccc2)cc2nc(-c3cc(F)c(F)cc3Cl)oc21 ZINC000226248680 564117190 /nfs/dbraw/zinc/11/71/90/564117190.db2.gz UXJGHDVFTZDNET-UHFFFAOYSA-N 0 0 344.748 5.526 10 0 EKAERN CC(C)c1ccc2oc(Cc3nc4cc(C(C)C)ccc4o3)nc2c1 ZINC000226249523 564117226 /nfs/dbraw/zinc/11/72/26/564117226.db2.gz JGFCPHAAAUIVOC-UHFFFAOYSA-N 0 0 334.419 5.807 10 0 EKAERN Cc1ccc2oc(C3=CCN(Cc4ccc(Cl)cc4)CC3)nc2c1 ZINC000226251269 564117247 /nfs/dbraw/zinc/11/72/47/564117247.db2.gz AAGBPFZHRKSKMW-UHFFFAOYSA-N 0 0 338.838 5.079 10 0 EKAERN CCOC(=O)/C=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 ZINC000226258057 242092719 /nfs/dbraw/zinc/09/27/19/242092719.db2.gz ARFOYFKGMFSDNX-GQCTYLIASA-N 0 0 345.609 5.483 10 0 EKAERN CCOC(=O)/C=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000226258150 242093209 /nfs/dbraw/zinc/09/32/09/242093209.db2.gz NKIKMJYWLVFPFI-VMPITWQZSA-N 0 0 344.716 5.195 10 0 EKAERN CC(C)c1ccc(-c2nc3ccc(NC(=O)C(F)(F)F)cc3o2)cc1 ZINC000226269695 201037019 /nfs/dbraw/zinc/03/70/19/201037019.db2.gz GXTXPJGFUBJSER-UHFFFAOYSA-N 0 0 348.324 5.119 10 0 EKAERN CNc1cc2nc(-c3cc(Cl)c(OC)c(Cl)c3)oc2c(C)c1 ZINC000226272094 201037533 /nfs/dbraw/zinc/03/75/33/201037533.db2.gz CXXYAXDPRLGTNF-UHFFFAOYSA-N 0 0 337.206 5.160 10 0 EKAERN Cc1cc(-n2cccc2)cc(-c2nc3cc(C(C)C)ccc3o2)c1O ZINC000226281730 242095078 /nfs/dbraw/zinc/09/50/78/242095078.db2.gz BVCJALYTXKCINM-UHFFFAOYSA-N 0 0 332.403 5.423 10 0 EKAERN CCNc1cc2nc(-c3cccc4c(Cl)cccc34)oc2c(C)c1 ZINC000226282203 201037100 /nfs/dbraw/zinc/03/71/00/201037100.db2.gz OLIABUYSTLRNSI-UHFFFAOYSA-N 0 0 336.822 6.042 10 0 EKAERN CCNc1cc2nc(-c3ccc(-c4ccccc4)cc3)oc2c(C)c1 ZINC000226282282 201037325 /nfs/dbraw/zinc/03/73/25/201037325.db2.gz YCAOHIZCPFWYOL-UHFFFAOYSA-N 0 0 328.415 5.902 10 0 EKAERN CCNc1ccc2oc(-c3cc(Cl)c(OC)c(Cl)c3)nc2c1 ZINC000226283693 535527737 /nfs/dbraw/zinc/52/77/37/535527737.db2.gz RMSUVWRCCFAKHD-UHFFFAOYSA-N 0 0 337.206 5.242 10 0 EKAERN CCNc1ccc2nc(-c3cc(Cl)c(OC)c(Cl)c3)oc2c1 ZINC000226284397 535527123 /nfs/dbraw/zinc/52/71/23/535527123.db2.gz RRLXMCNDJCSCOY-UHFFFAOYSA-N 0 0 337.206 5.242 10 0 EKAERN O=C1c2ccccc2CN1c1ccc(-c2nc3ccccc3s2)cc1 ZINC000226287257 201037783 /nfs/dbraw/zinc/03/77/83/201037783.db2.gz FANAMSKWAVSHNK-UHFFFAOYSA-N 0 0 342.423 5.124 10 0 EKAERN O=C1c2ccccc2CN1c1cccc(-c2nc3ccccc3s2)c1 ZINC000226287350 201037228 /nfs/dbraw/zinc/03/72/28/201037228.db2.gz VAFKAQSLAQCKPH-UHFFFAOYSA-N 0 0 342.423 5.124 10 0 EKAERN O[C@@H](c1ccc(-c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000226293306 242094743 /nfs/dbraw/zinc/09/47/43/242094743.db2.gz QITJVAZUMCLDLR-IBGZPJMESA-N 0 0 329.226 5.742 10 0 EKAERN O[C@H](c1ccc(-c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000226293312 242094411 /nfs/dbraw/zinc/09/44/11/242094411.db2.gz QITJVAZUMCLDLR-LJQANCHMSA-N 0 0 329.226 5.742 10 0 EKAERN CC(C)c1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1 ZINC000226293903 242095065 /nfs/dbraw/zinc/09/50/65/242095065.db2.gz SITFYQUPTCJGGF-UHFFFAOYSA-N 0 0 327.252 5.314 10 0 EKAERN Clc1cc2nc(-c3cc(Cl)cc(Cl)c3)oc2c(Cl)c1 ZINC000226294043 242094796 /nfs/dbraw/zinc/09/47/96/242094796.db2.gz RIHMNPVFNPBOLF-UHFFFAOYSA-N 0 0 333.001 6.108 10 0 EKAERN Clc1cc(Cl)cc(-c2nc3cc(-c4ccccc4)ccc3o2)c1 ZINC000226294061 242093903 /nfs/dbraw/zinc/09/39/03/242093903.db2.gz XWKHAXRAAOKHDU-UHFFFAOYSA-N 0 0 340.209 6.469 10 0 EKAERN Clc1ccccc1COc1ccc(-c2nc3ccccc3o2)cc1 ZINC000226294929 242094676 /nfs/dbraw/zinc/09/46/76/242094676.db2.gz FROHBWDFTRFDEG-UHFFFAOYSA-N 0 0 335.790 5.727 10 0 EKAERN Clc1ccc(COc2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000226294950 242094985 /nfs/dbraw/zinc/09/49/85/242094985.db2.gz IXOLXIGIQYKJBJ-UHFFFAOYSA-N 0 0 335.790 5.727 10 0 EKAERN Cc1ccc2oc(-c3ccc(OCc4ccc(Cl)cc4)cc3)nc2c1 ZINC000226294959 242095090 /nfs/dbraw/zinc/09/50/90/242095090.db2.gz OVGNALNEJHKRCD-UHFFFAOYSA-N 0 0 349.817 6.036 10 0 EKAERN Cc1ccc2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2c1 ZINC000226294978 242094333 /nfs/dbraw/zinc/09/43/33/242094333.db2.gz OEDXKXITOGLBFJ-UHFFFAOYSA-N 0 0 349.817 6.036 10 0 EKAERN Cc1ccc2oc(-c3ccc(OCc4ccccc4C)cc3)nc2c1 ZINC000226294992 242094040 /nfs/dbraw/zinc/09/40/40/242094040.db2.gz YUVSSTYMYITJPG-UHFFFAOYSA-N 0 0 329.399 5.691 10 0 EKAERN Cc1ccc(COc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1 ZINC000226295002 242094345 /nfs/dbraw/zinc/09/43/45/242094345.db2.gz OLGOUMJCVKORGP-UHFFFAOYSA-N 0 0 329.399 5.691 10 0 EKAERN CCc1ccc2oc(-c3ccc(OCc4ccc(C)cc4)cc3)nc2c1 ZINC000226295008 535833809 /nfs/dbraw/zinc/83/38/09/535833809.db2.gz VKQQLMRLVRWDQM-UHFFFAOYSA-N 0 0 343.426 5.945 10 0 EKAERN CCc1ccc2oc(-c3ccc(OCc4ccccc4)cc3)nc2c1 ZINC000226295018 535832771 /nfs/dbraw/zinc/83/27/71/535832771.db2.gz VWYFJLOCRUXHDP-UHFFFAOYSA-N 0 0 329.399 5.636 10 0 EKAERN CCc1ccc2oc(-c3ccc(OCc4ccccc4C)cc3)nc2c1 ZINC000226295027 535833952 /nfs/dbraw/zinc/83/39/52/535833952.db2.gz LIAWHPWSRZKRCY-UHFFFAOYSA-N 0 0 343.426 5.945 10 0 EKAERN CC(C)c1ccc2oc(-c3ccc(OCc4ccccc4)cc3)nc2c1 ZINC000226295097 201038271 /nfs/dbraw/zinc/03/82/71/201038271.db2.gz IUPYKSNOLZKUML-UHFFFAOYSA-N 0 0 343.426 6.197 10 0 EKAERN Cc1cc2nc(-c3ccc(OCc4ccccc4)cc3)oc2cc1C ZINC000226295131 201039124 /nfs/dbraw/zinc/03/91/24/201039124.db2.gz PVOPJTZFSYJONV-UHFFFAOYSA-N 0 0 329.399 5.691 10 0 EKAERN Cc1cc2nc(-c3ccc(OCc4ccccc4)cc3)oc2c(C)c1 ZINC000226295140 201038116 /nfs/dbraw/zinc/03/81/16/201038116.db2.gz RDGOPGAQNWHZCS-UHFFFAOYSA-N 0 0 329.399 5.691 10 0 EKAERN Cc1cc2nc(-c3ccc(OCc4ccccc4C)cc3)oc2c(C)c1 ZINC000226295147 201039136 /nfs/dbraw/zinc/03/91/36/201039136.db2.gz UDTROXBNQUFABU-UHFFFAOYSA-N 0 0 343.426 5.999 10 0 EKAERN Cc1ccccc1COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1 ZINC000226295153 242094001 /nfs/dbraw/zinc/09/40/01/242094001.db2.gz FXSSQRKGNKAMPZ-UHFFFAOYSA-N 0 0 343.426 5.999 10 0 EKAERN Cc1ccc(COc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)cc1 ZINC000226295209 242094714 /nfs/dbraw/zinc/09/47/14/242094714.db2.gz BFMFAGHABCHRQT-UHFFFAOYSA-N 0 0 343.426 5.999 10 0 EKAERN Cc1ccc(COc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1 ZINC000226295214 201039205 /nfs/dbraw/zinc/03/92/05/201039205.db2.gz PBPFLKOZYDOZPQ-UHFFFAOYSA-N 0 0 343.426 5.999 10 0 EKAERN Clc1ccc2oc(-c3ccc(OCc4ccccc4)cc3)nc2c1 ZINC000226295300 242094476 /nfs/dbraw/zinc/09/44/76/242094476.db2.gz CYLDKMSYEVJWRJ-UHFFFAOYSA-N 0 0 335.790 5.727 10 0 EKAERN Cc1ccccc1COc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000226295310 242094622 /nfs/dbraw/zinc/09/46/22/242094622.db2.gz JITBSQFSIPPCNZ-UHFFFAOYSA-N 0 0 349.817 6.036 10 0 EKAERN Cc1ccc(COc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1 ZINC000226295347 242094087 /nfs/dbraw/zinc/09/40/87/242094087.db2.gz ZFMLMXBRAQTZHH-UHFFFAOYSA-N 0 0 349.817 6.036 10 0 EKAERN O[C@@H](c1ccc(-c2ccccc2)cc1)c1ccc2c3c(cccc31)CC2 ZINC000226295540 242094561 /nfs/dbraw/zinc/09/45/61/242094561.db2.gz NOPOYJVYAHARID-VWLOTQADSA-N 0 0 336.434 5.687 10 0 EKAERN O[C@H](c1ccc(-c2ccccc2)cc1)c1ccc2c3c(cccc31)CC2 ZINC000226295547 242094575 /nfs/dbraw/zinc/09/45/75/242094575.db2.gz NOPOYJVYAHARID-RUZDIDTESA-N 0 0 336.434 5.687 10 0 EKAERN O=C(c1ccc(-c2ccccc2)cc1)c1ccc2c3c(cccc31)CC2 ZINC000226295552 201038620 /nfs/dbraw/zinc/03/86/20/201038620.db2.gz PGSVYARLBLRXFC-UHFFFAOYSA-N 0 0 334.418 5.836 10 0 EKAERN O=C(c1ccc(Cl)cc1Cl)c1ccc2c3c(cccc31)CC2 ZINC000226295611 242094317 /nfs/dbraw/zinc/09/43/17/242094317.db2.gz RLSUDYRMTGECGD-UHFFFAOYSA-N 0 0 327.210 5.476 10 0 EKAERN O[C@@H](c1ccc(Cl)cc1Cl)c1ccc2c3c(cccc31)CC2 ZINC000226295619 242094536 /nfs/dbraw/zinc/09/45/36/242094536.db2.gz NHKUIVSBVFIXPH-LJQANCHMSA-N 0 0 329.226 5.327 10 0 EKAERN O[C@H](c1ccc(Cl)cc1Cl)c1ccc2c3c(cccc31)CC2 ZINC000226295625 242094290 /nfs/dbraw/zinc/09/42/90/242094290.db2.gz NHKUIVSBVFIXPH-IBGZPJMESA-N 0 0 329.226 5.327 10 0 EKAERN O[C@@H](c1ccc(Cl)c(Cl)c1)c1ccc2c3c(cccc31)CC2 ZINC000226295636 242093927 /nfs/dbraw/zinc/09/39/27/242093927.db2.gz KGUXXOLRRAHLHX-IBGZPJMESA-N 0 0 329.226 5.327 10 0 EKAERN O[C@H](c1ccc(Cl)c(Cl)c1)c1ccc2c3c(cccc31)CC2 ZINC000226295643 242095220 /nfs/dbraw/zinc/09/52/20/242095220.db2.gz KGUXXOLRRAHLHX-LJQANCHMSA-N 0 0 329.226 5.327 10 0 EKAERN O=C(c1ccc(Cl)c(Cl)c1)c1ccc2c3c(cccc31)CC2 ZINC000226295651 201039215 /nfs/dbraw/zinc/03/92/15/201039215.db2.gz ITRYIYVAHLHOBR-UHFFFAOYSA-N 0 0 327.210 5.476 10 0 EKAERN Clc1cc2nc(-c3ccc4c5c(cccc53)CC4)oc2c(Cl)c1 ZINC000226296009 201038839 /nfs/dbraw/zinc/03/88/39/201038839.db2.gz AERDLSQDIJSBSF-UHFFFAOYSA-N 0 0 340.209 6.053 10 0 EKAERN CC(C)(C)c1ccc([C@@H](O)c2ccc3c(c2)oc2ccccc23)cc1 ZINC000226296369 242094763 /nfs/dbraw/zinc/09/47/63/242094763.db2.gz UQTNFMJCMSLRQE-JOCHJYFZSA-N 0 0 330.427 5.965 10 0 EKAERN CC(C)(C)c1ccc([C@H](O)c2ccc3c(c2)oc2ccccc23)cc1 ZINC000226296373 535122602 /nfs/dbraw/zinc/12/26/02/535122602.db2.gz UQTNFMJCMSLRQE-QFIPXVFZSA-N 0 0 330.427 5.965 10 0 EKAERN CC(C)(C)c1ccc(C(=O)c2ccc3c(c2)oc2ccccc23)cc1 ZINC000226296383 535109298 /nfs/dbraw/zinc/10/92/98/535109298.db2.gz MJKHMHPQERYIND-UHFFFAOYSA-N 0 0 328.411 6.115 10 0 EKAERN CC(C)(C)c1ccc(C(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000226296395 535108968 /nfs/dbraw/zinc/10/89/68/535108968.db2.gz BKNSDDIMKYHBFI-UHFFFAOYSA-N 0 0 326.439 5.786 10 0 EKAERN CC(C)(C)c1ccc([C@@H](O)c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000226296405 242095102 /nfs/dbraw/zinc/09/51/02/242095102.db2.gz WZWYXGBIABXLAY-HSZRJFAPSA-N 0 0 328.455 5.637 10 0 EKAERN CC(C)(C)c1ccc([C@H](O)c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000226296412 201038604 /nfs/dbraw/zinc/03/86/04/201038604.db2.gz WZWYXGBIABXLAY-QHCPKHFHSA-N 0 0 328.455 5.637 10 0 EKAERN O[C@@H](c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000226296421 242094779 /nfs/dbraw/zinc/09/47/79/242094779.db2.gz FQXUUDYVYQBZBG-SANMLTNESA-N 0 0 348.445 6.007 10 0 EKAERN O[C@H](c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000226296427 201039190 /nfs/dbraw/zinc/03/91/90/201039190.db2.gz FQXUUDYVYQBZBG-AREMUKBSSA-N 0 0 348.445 6.007 10 0 EKAERN O=C(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000226296438 242095085 /nfs/dbraw/zinc/09/50/85/242095085.db2.gz ODEJXGQKDAJTOX-UHFFFAOYSA-N 0 0 346.429 6.156 10 0 EKAERN O=C(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)oc1ccccc12 ZINC000226296448 242094664 /nfs/dbraw/zinc/09/46/64/242094664.db2.gz UGRSNRJKNPMMCU-UHFFFAOYSA-N 0 0 348.401 6.484 10 0 EKAERN O[C@@H](c1ccc2c(c1)Cc1ccccc1-2)c1ccc(Cl)cc1Cl ZINC000226296785 242094286 /nfs/dbraw/zinc/09/42/86/242094286.db2.gz SZMLNTRXOCPKTL-FQEVSTJZSA-N 0 0 341.237 5.646 10 0 EKAERN O[C@H](c1ccc2c(c1)Cc1ccccc1-2)c1ccc(Cl)cc1Cl ZINC000226296791 242094204 /nfs/dbraw/zinc/09/42/04/242094204.db2.gz SZMLNTRXOCPKTL-HXUWFJFHSA-N 0 0 341.237 5.646 10 0 EKAERN O=C(c1ccc2c(c1)Cc1ccccc1-2)c1ccc(Cl)cc1Cl ZINC000226296799 242095134 /nfs/dbraw/zinc/09/51/34/242095134.db2.gz QMOQFAGMFMWECG-UHFFFAOYSA-N 0 0 339.221 5.796 10 0 EKAERN O=C(c1ccc2c(c1)oc1ccccc12)c1ccc(Cl)cc1Cl ZINC000226296807 201039128 /nfs/dbraw/zinc/03/91/28/201039128.db2.gz HNABDMBELUWEEE-UHFFFAOYSA-N 0 0 341.193 6.124 10 0 EKAERN O[C@@H](c1ccc2c(c1)oc1ccccc12)c1ccc(Cl)cc1Cl ZINC000226296817 242094133 /nfs/dbraw/zinc/09/41/33/242094133.db2.gz ODWWCTQTTOUQHS-IBGZPJMESA-N 0 0 343.209 5.975 10 0 EKAERN O[C@H](c1ccc2c(c1)oc1ccccc12)c1ccc(Cl)cc1Cl ZINC000226296822 242094988 /nfs/dbraw/zinc/09/49/88/242094988.db2.gz ODWWCTQTTOUQHS-LJQANCHMSA-N 0 0 343.209 5.975 10 0 EKAERN O[C@@H](c1ccc2c(c1)oc1ccccc12)c1ccc(Cl)c(Cl)c1 ZINC000226296829 242094882 /nfs/dbraw/zinc/09/48/82/242094882.db2.gz XZIGARFMQICJMF-LJQANCHMSA-N 0 0 343.209 5.975 10 0 EKAERN O[C@H](c1ccc2c(c1)oc1ccccc12)c1ccc(Cl)c(Cl)c1 ZINC000226296833 201038541 /nfs/dbraw/zinc/03/85/41/201038541.db2.gz XZIGARFMQICJMF-IBGZPJMESA-N 0 0 343.209 5.975 10 0 EKAERN O=C(c1ccc2c(c1)oc1ccccc12)c1ccc(Cl)c(Cl)c1 ZINC000226296841 242094942 /nfs/dbraw/zinc/09/49/42/242094942.db2.gz AQELYICFALRNSV-UHFFFAOYSA-N 0 0 341.193 6.124 10 0 EKAERN O=C(c1ccc2c(c1)Cc1ccccc1-2)c1ccc(Cl)c(Cl)c1 ZINC000226296850 242093958 /nfs/dbraw/zinc/09/39/58/242093958.db2.gz HFWRDQSTZVADAO-UHFFFAOYSA-N 0 0 339.221 5.796 10 0 EKAERN O[C@@H](c1ccc2c(c1)Cc1ccccc1-2)c1ccc(Cl)c(Cl)c1 ZINC000226296861 242094282 /nfs/dbraw/zinc/09/42/82/242094282.db2.gz KNSJHROVXCUFJK-FQEVSTJZSA-N 0 0 341.237 5.646 10 0 EKAERN O[C@H](c1ccc2c(c1)Cc1ccccc1-2)c1ccc(Cl)c(Cl)c1 ZINC000226296870 242094997 /nfs/dbraw/zinc/09/49/97/242094997.db2.gz KNSJHROVXCUFJK-HXUWFJFHSA-N 0 0 341.237 5.646 10 0 EKAERN CCNc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Br ZINC000226303087 535523742 /nfs/dbraw/zinc/52/37/42/535523742.db2.gz ZIUMYLJMLJAJLV-UHFFFAOYSA-N 0 0 334.301 5.349 10 0 EKAERN Cc1ccc(-c2nc3cc(C45CC6CC(CC(C6)C4)C5)ccc3[nH]2)cc1 ZINC000226303542 205124302 /nfs/dbraw/zinc/12/43/02/205124302.db2.gz NNDPQQUCOBYSCF-UHFFFAOYSA-N 0 0 342.486 6.006 10 0 EKAERN Cc1cc(C23CC4CC(CC(C4)C2)C3)cc2[nH]c(-c3ccccc3)nc21 ZINC000226303599 242096422 /nfs/dbraw/zinc/09/64/22/242096422.db2.gz XANPYDHRNHZBOB-UHFFFAOYSA-N 0 0 342.486 6.006 10 0 EKAERN Nc1c(Cl)cc(C23CC4CC(CC(C4)C2)C3)cc1Br ZINC000226305329 242095819 /nfs/dbraw/zinc/09/58/19/242095819.db2.gz QGORGUOYFIZZCD-UHFFFAOYSA-N 0 0 340.692 5.153 10 0 EKAERN CN(C(=O)C(F)(F)F)c1ccc(Oc2cccc3ccccc32)cc1 ZINC000226306830 535957569 /nfs/dbraw/zinc/95/75/69/535957569.db2.gz LWHQUEJGXDTTQT-UHFFFAOYSA-N 0 0 345.320 5.157 10 0 EKAERN Cc1cc(C)c(NC(=O)c2sc3ccccc3c2Cl)c(N)c1 ZINC000226347268 205130527 /nfs/dbraw/zinc/13/05/27/205130527.db2.gz ADXZBXQRRVDLGT-UHFFFAOYSA-N 0 0 330.840 5.006 10 0 EKAERN Nc1cc(Cl)ccc1NC(=O)c1sc2ccccc2c1Cl ZINC000226347286 242099514 /nfs/dbraw/zinc/09/95/14/242099514.db2.gz NAINYISRPIGXFF-UHFFFAOYSA-N 0 0 337.231 5.043 10 0 EKAERN Nc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000226347980 242099771 /nfs/dbraw/zinc/09/97/71/242099771.db2.gz JERVABKWTNZILZ-UHFFFAOYSA-N 0 0 347.201 5.088 10 0 EKAERN Nc1cc(Cl)ccc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 ZINC000226348008 242099463 /nfs/dbraw/zinc/09/94/63/242099463.db2.gz OAHWLRIPXDQLOJ-UHFFFAOYSA-N 0 0 347.201 5.088 10 0 EKAERN Nc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000226348016 205129899 /nfs/dbraw/zinc/12/98/99/205129899.db2.gz DQKADTKVLFKWTL-UHFFFAOYSA-N 0 0 347.201 5.088 10 0 EKAERN Cc1cc(C)c(NC(=O)c2ccc(-c3ccccc3Cl)o2)c(N)c1 ZINC000226348175 242099676 /nfs/dbraw/zinc/09/96/76/242099676.db2.gz ADVDVUBIIVBKNP-UHFFFAOYSA-N 0 0 340.810 5.051 10 0 EKAERN Cc1cc(C)c(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c(N)c1 ZINC000226348192 242099788 /nfs/dbraw/zinc/09/97/88/242099788.db2.gz AVVHULVEJHRXIU-UHFFFAOYSA-N 0 0 340.810 5.051 10 0 EKAERN Cc1cc(C)c(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c(N)c1 ZINC000226348199 242099869 /nfs/dbraw/zinc/09/98/69/242099869.db2.gz ZDKMLGOVSFAGOK-UHFFFAOYSA-N 0 0 340.810 5.051 10 0 EKAERN Cc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3C)o2)c(N)c1 ZINC000226348306 242099888 /nfs/dbraw/zinc/09/98/88/242099888.db2.gz XNSXCGOEIBFNQY-UHFFFAOYSA-N 0 0 340.810 5.051 10 0 EKAERN Cc1ccc(NC(=O)c2ccc(-c3ccc(C)c(Cl)c3)o2)c(N)c1 ZINC000226348410 242099755 /nfs/dbraw/zinc/09/97/55/242099755.db2.gz IMGVXUHGBZDZES-UHFFFAOYSA-N 0 0 340.810 5.051 10 0 EKAERN Nc1ccccc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000226348844 242099738 /nfs/dbraw/zinc/09/97/38/242099738.db2.gz KBBOSLZHHDXJDR-UHFFFAOYSA-N 0 0 347.201 5.088 10 0 EKAERN Nc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000226348900 242099785 /nfs/dbraw/zinc/09/97/85/242099785.db2.gz AGEJVMINYRCFIA-UHFFFAOYSA-N 0 0 347.201 5.088 10 0 EKAERN Nc1ccccc1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000226348972 242099652 /nfs/dbraw/zinc/09/96/52/242099652.db2.gz OQVVUFRQPOIXGG-UHFFFAOYSA-N 0 0 347.201 5.088 10 0 EKAERN Nc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000226349041 205129865 /nfs/dbraw/zinc/12/98/65/205129865.db2.gz XNYITHUEDAKRDJ-UHFFFAOYSA-N 0 0 347.201 5.088 10 0 EKAERN Nc1ccccc1NC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000226349107 205130976 /nfs/dbraw/zinc/13/09/76/205130976.db2.gz YHHHYPSZXYIIAG-UHFFFAOYSA-N 0 0 347.201 5.088 10 0 EKAERN Nc1cccc(Cl)c1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000226359140 205132649 /nfs/dbraw/zinc/13/26/49/205132649.db2.gz GZVFMSXHELOPER-UHFFFAOYSA-N 0 0 347.201 5.088 10 0 EKAERN Nc1cccc(Cl)c1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 ZINC000226359152 242101086 /nfs/dbraw/zinc/10/10/86/242101086.db2.gz NFFFUYJOPFAJLM-UHFFFAOYSA-N 0 0 347.201 5.088 10 0 EKAERN Nc1ccc(Cl)c(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 ZINC000226365367 242100894 /nfs/dbraw/zinc/10/08/94/242100894.db2.gz QYUCXUMTMTVBRK-UHFFFAOYSA-N 0 0 347.201 5.088 10 0 EKAERN Nc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)ccc1Cl ZINC000226365425 205134157 /nfs/dbraw/zinc/13/41/57/205134157.db2.gz JJESHGNQCAJKHR-UHFFFAOYSA-N 0 0 347.201 5.088 10 0 EKAERN Cc1ccc(-c2ccc(C(=O)Nc3ccc(N)cc3C)o2)cc1Cl ZINC000227144684 242120704 /nfs/dbraw/zinc/12/07/04/242120704.db2.gz QYHGYFJJCNHHCI-UHFFFAOYSA-N 0 0 340.810 5.051 10 0 EKAERN Nc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)c(Cl)c1 ZINC000227157397 242123920 /nfs/dbraw/zinc/12/39/20/242123920.db2.gz FCHZHHIPMLXJAW-UHFFFAOYSA-N 0 0 347.201 5.088 10 0 EKAERN COc1ccccc1C1=Nc2ccccc2N[C@@H](c2cccc(F)c2)C1 ZINC000227173699 537014166 /nfs/dbraw/zinc/01/41/66/537014166.db2.gz CEORYKLJWQVJLW-HXUWFJFHSA-N 0 0 346.405 5.512 10 0 EKAERN COc1ccccc1C1=Nc2ccccc2N[C@H](c2cccc(F)c2)C1 ZINC000227173706 537013978 /nfs/dbraw/zinc/01/39/78/537013978.db2.gz CEORYKLJWQVJLW-FQEVSTJZSA-N 0 0 346.405 5.512 10 0 EKAERN CC(C)C1CC[C@H](C)[C@@]2(C[C@H]2c2ccc(-c3ccccc3)cc2)C1=O ZINC000229863485 242209158 /nfs/dbraw/zinc/20/91/58/242209158.db2.gz ZXHJFVNGUBKKQO-OZWPHOJSSA-N 0 0 332.487 6.725 10 0 EKAERN O=Cc1ccc(Oc2ccc(Cl)c(Cl)c2)cc1Br ZINC000236047413 563875131 /nfs/dbraw/zinc/87/51/31/563875131.db2.gz FHBLIBVUFWUTJJ-UHFFFAOYSA-N 0 0 346.007 5.361 10 0 EKAERN CC(C)C1CC[C@@H](C)[C@@]2(C[C@H]2c2ccc(-c3ccccc3)cc2)C1=O ZINC000242389453 519558888 /nfs/dbraw/zinc/55/88/88/519558888.db2.gz ZXHJFVNGUBKKQO-OUPRXKBMSA-N 0 0 332.487 6.725 10 0 EKAERN Clc1ccc2nc(-c3ccsc3)cc(N3CCCCC3)c2c1 ZINC000253495217 244004810 /nfs/dbraw/zinc/00/48/10/244004810.db2.gz LGCDEWOXXBBDOJ-UHFFFAOYSA-N 0 0 328.868 5.607 10 0 EKAERN CC1CCN(c2cc(-c3ccccn3)nc3ccc(Cl)cc32)CC1 ZINC000253495264 244003415 /nfs/dbraw/zinc/00/34/15/244003415.db2.gz RWXMMYFJVKEOKJ-UHFFFAOYSA-N 0 0 337.854 5.187 10 0 EKAERN CC1CCN(c2cc(-c3ccsc3)nc3ccc(Cl)cc32)CC1 ZINC000253495291 244004095 /nfs/dbraw/zinc/00/40/95/244004095.db2.gz VKBWYCBMNLXAFT-UHFFFAOYSA-N 0 0 342.895 5.853 10 0 EKAERN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@]43C)[C@H]1CC=C2c1cccnc1 ZINC000253590517 564110808 /nfs/dbraw/zinc/11/08/08/564110808.db2.gz GZOSMCIZMLWJML-PITFWAOOSA-N 0 0 349.518 5.399 10 0 EKAERN c1sc(=Nc2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000254749568 201187705 /nfs/dbraw/zinc/18/77/05/201187705.db2.gz HAFRCFZWBMTRDZ-UHFFFAOYSA-N 0 0 328.440 5.438 10 0 EKAERN COc1ccc(N=c2ssc(SC)c2-c2ccccc2)cc1 ZINC000254843777 536714267 /nfs/dbraw/zinc/71/42/67/536714267.db2.gz OUWMSICCBLJNPK-UHFFFAOYSA-N 0 0 345.514 5.440 10 0 EKAERN Cc1ccc(NC(=O)c2ccccc2NCc2ccccc2)cc1C ZINC000255187724 244046898 /nfs/dbraw/zinc/04/68/98/244046898.db2.gz GKYCNUVQYKQYBF-UHFFFAOYSA-N 0 0 330.431 5.168 10 0 EKAERN CC(C)[C@@H]1C(=O)C[C@H](c2ccccc2)N(Cl)[C@@H]1c1ccccc1 ZINC000255970218 244053811 /nfs/dbraw/zinc/05/38/11/244053811.db2.gz DTUKSCNXYDLFMO-MISYRCLQSA-N 0 0 327.855 5.170 10 0 EKAERN CC(C)[C@@H]1C(=O)C[C@H](c2ccccc2)N(Cl)[C@H]1c1ccccc1 ZINC000255970219 244053330 /nfs/dbraw/zinc/05/33/30/244053330.db2.gz DTUKSCNXYDLFMO-RLLQIKCJSA-N 0 0 327.855 5.170 10 0 EKAERN C1=CC[C@@H](C2OC([C@@H]3CC=CCC3)OC([C@@H]3CC=CCC3)O2)CC1 ZINC000255973621 533480228 /nfs/dbraw/zinc/48/02/28/533480228.db2.gz GDVLQRKRINDFTM-AZLKCXKBSA-N 0 0 330.468 5.097 10 0 EKAERN C1=CC[C@H]([C@@H]2OC([C@@H]3CC=CCC3)O[C@H]([C@H]3CC=CCC3)O2)CC1 ZINC000255973622 244053399 /nfs/dbraw/zinc/05/33/99/244053399.db2.gz GDVLQRKRINDFTM-GKOSICKTSA-N 0 0 330.468 5.097 10 0 EKAERN C1=CC[C@H](C2O[C@H]([C@@H]3CC=CCC3)O[C@H]([C@@H]3CC=CCC3)O2)CC1 ZINC000255973623 201190820 /nfs/dbraw/zinc/19/08/20/201190820.db2.gz GDVLQRKRINDFTM-IPEKBPMVSA-N 0 0 330.468 5.097 10 0 EKAERN CCCC[C@@H]1C(=O)C[C@H](c2ccccc2)N(Cl)[C@H]1c1ccccc1 ZINC000255988366 534943183 /nfs/dbraw/zinc/94/31/83/534943183.db2.gz MQYORWYYLYHKLB-SBHAEUEKSA-N 0 0 341.882 5.704 10 0 EKAERN CCCC[C@@H]1C(=O)C[C@H](c2ccccc2)N(Cl)[C@@H]1c1ccccc1 ZINC000255988367 534942991 /nfs/dbraw/zinc/94/29/91/534942991.db2.gz MQYORWYYLYHKLB-SFHLNBCPSA-N 0 0 341.882 5.704 10 0 EKAERN Clc1ccccc1[C@@H]1[C@H](c2ccccc2Cl)O[C@@H]2CCCCN21 ZINC000255995229 244060982 /nfs/dbraw/zinc/06/09/82/244060982.db2.gz PRJITYMHFJCKLK-QRVBRYPASA-N 0 0 348.273 5.618 10 0 EKAERN Clc1ccccc1[C@@H]1O[C@@H]2CCCCN2[C@H]1c1ccccc1Cl ZINC000255995230 244061795 /nfs/dbraw/zinc/06/17/95/244061795.db2.gz PRJITYMHFJCKLK-QYZOEREBSA-N 0 0 348.273 5.618 10 0 EKAERN Cc1nc(Nc2ccccc2)sc1Cc1cc(Cl)ccc1Cl ZINC000257173169 563984220 /nfs/dbraw/zinc/98/42/20/563984220.db2.gz FPMGUEZCWRQYHR-UHFFFAOYSA-N 0 0 349.286 6.093 10 0 EKAERN CC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(F)cc3)cc2)CC1 ZINC000263584072 564132626 /nfs/dbraw/zinc/13/26/26/564132626.db2.gz JGKXHDVVHRMGET-WKILWMFISA-N 0 0 326.411 5.729 10 0 EKAERN CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCC(=O)OC ZINC000306146919 257926484 /nfs/dbraw/zinc/92/64/84/257926484.db2.gz PTFHIRHGARALFY-UKFPHXRLSA-N 0 0 344.539 6.861 10 0 EKAERN CCCCC/C=C/C/C=C\C/C=C/CCCCCCC(=O)NCCO ZINC000306147159 257926659 /nfs/dbraw/zinc/92/66/59/257926659.db2.gz ULQWKETUACYZLI-FATBIOMTSA-N 0 0 349.559 5.465 10 0 EKAERN O=[N+]([O-])c1cnc2c(Oc3ccccc3)ccc(Cl)c2c1Cl ZINC000318120368 568422726 /nfs/dbraw/zinc/42/27/26/568422726.db2.gz LRAAVXNJVOUQTF-UHFFFAOYSA-N 0 0 335.146 5.242 10 0 EKAERN CC(C)c1ccccc1C(=O)CCCCCNC(=O)OC(C)(C)C ZINC000405700102 564176021 /nfs/dbraw/zinc/17/60/21/564176021.db2.gz HXYDAVRUNCJGFD-UHFFFAOYSA-N 0 0 333.472 5.078 10 0 EKAERN CC(C)(C)OC(=O)/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000406075615 564176206 /nfs/dbraw/zinc/17/62/06/564176206.db2.gz SVMJGZMFZBLNOM-SNAWJCMRSA-N 0 0 340.263 5.079 10 0 EKAERN Cc1ccc([C@H](C)O)cc1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000504703238 257706634 /nfs/dbraw/zinc/70/66/34/257706634.db2.gz IVNXKCUXTFSOCH-AWEZNQCLSA-N 0 0 326.436 5.507 10 0 EKAERN FC(F)(F)c1cnc(Cl)c(-c2ccccc2C(F)(F)F)c1 ZINC000514256377 563514295 /nfs/dbraw/zinc/51/42/95/563514295.db2.gz RUQNGSXXXOEETL-UHFFFAOYSA-N 0 0 325.639 5.440 10 0 EKAERN CCC(C)(C)C1CCC2(C[C@@H](N(C)C(=O)OC(C)(C)C)CO2)CC1 ZINC000536954421 564017618 /nfs/dbraw/zinc/01/76/18/564017618.db2.gz LOGFQUOXMPKXTF-LFDOHDQPSA-N 0 0 339.520 5.007 10 0 EKAERN CCC(C)(C)C1CCC2(C[C@H](N(C)C(=O)OC(C)(C)C)CO2)CC1 ZINC000536954452 564017611 /nfs/dbraw/zinc/01/76/11/564017611.db2.gz LOGFQUOXMPKXTF-NGEICVOHSA-N 0 0 339.520 5.007 10 0 EKAERN Clc1cc(-c2cccc(OCC3CCCCC3)c2)nc(Cl)n1 ZINC000575444843 564066124 /nfs/dbraw/zinc/06/61/24/564066124.db2.gz WLVPMLGJWCKZDJ-UHFFFAOYSA-N 0 0 337.250 5.410 10 0 EKAERN FC(F)(F)c1cnc(Cl)c(-c2ccc(Br)cc2)c1 ZINC000584880745 564080319 /nfs/dbraw/zinc/08/03/19/564080319.db2.gz CWGHNNRFHZOELF-UHFFFAOYSA-N 0 0 336.538 5.183 10 0 EKAERN CCCCCOc1ccc(OC(=O)[C@H]2CC[C@H](CCC)CC2)cc1 ZINC000584906972 564080535 /nfs/dbraw/zinc/08/05/35/564080535.db2.gz IPMUTUVKXHUGPA-IYARVYRRSA-N 0 0 332.484 5.768 10 0 EKAERN FC(F)(F)c1nc(-c2ccc(Cl)cc2)sc1Br ZINC000616579653 564177370 /nfs/dbraw/zinc/17/73/70/564177370.db2.gz VDRPWZYIMJNFOM-UHFFFAOYSA-N 0 0 342.567 5.245 10 0 EKAERN Cc1cc(C(C)C)nc2cc(Br)cc(Br)c12 ZINC000667363387 564079315 /nfs/dbraw/zinc/07/93/15/564079315.db2.gz AWRJITGZVPMEDI-UHFFFAOYSA-N 0 0 343.062 5.192 10 0 EKAERN Cc1cc(C(C)C)nc2cc(Br)c(Br)cc12 ZINC000669372004 568420393 /nfs/dbraw/zinc/42/03/93/568420393.db2.gz GSZBHVXXJJHBJY-UHFFFAOYSA-N 0 0 343.062 5.192 10 0 EKAERN CCC(C)(C)C1CCC(O)(c2cccc(Br)c2)CC1 ZINC000675058913 564112230 /nfs/dbraw/zinc/11/22/30/564112230.db2.gz BODUPXNGEXNORQ-UHFFFAOYSA-N 0 0 325.290 5.263 10 0 EKAERN CCC(C)(C)C1CCC(O)(c2ccc(Br)cc2)CC1 ZINC000675059123 564112215 /nfs/dbraw/zinc/11/22/15/564112215.db2.gz KUXKFBLNJFMLJC-UHFFFAOYSA-N 0 0 325.290 5.263 10 0 EKAERN Cc1c(N)cc(-c2ccc(Br)cc2)cc1C(F)(F)F ZINC000675078872 564113524 /nfs/dbraw/zinc/11/35/24/564113524.db2.gz AOABHZFNPNCQSY-UHFFFAOYSA-N 0 0 330.147 5.026 10 0 EKAERN Cc1c(N)cc(-c2cccc(Br)c2)cc1C(F)(F)F ZINC000675080803 564113999 /nfs/dbraw/zinc/11/39/99/564113999.db2.gz WERBZDLNYMFQRO-UHFFFAOYSA-N 0 0 330.147 5.026 10 0 EKAERN Cc1c(N)cc(-c2cc(Br)ccc2F)cc1C(F)(F)F ZINC000675081000 564113975 /nfs/dbraw/zinc/11/39/75/564113975.db2.gz ZHYQSEKVWZFEPK-UHFFFAOYSA-N 0 0 348.137 5.165 10 0 EKAERN CCC(C)(CC)C(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685958542 564177041 /nfs/dbraw/zinc/17/70/41/564177041.db2.gz QEBCMYBTFHHWSW-UHFFFAOYSA-N 0 0 347.499 5.209 10 0 EKAERN C[C@@H](CC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C)C(C)(C)C ZINC000685959327 564177078 /nfs/dbraw/zinc/17/70/78/564177078.db2.gz RXPOPHISAWLULB-INIZCTEOSA-N 0 0 347.499 5.065 10 0 EKAERN C[C@H](CC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C)C(C)(C)C ZINC000685959333 564177066 /nfs/dbraw/zinc/17/70/66/564177066.db2.gz RXPOPHISAWLULB-MRXNPFEDSA-N 0 0 347.499 5.065 10 0 EKAERN CC(C)=C(C)CCC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685959690 564177084 /nfs/dbraw/zinc/17/70/84/564177084.db2.gz RVBPRCWAKCUXGB-UHFFFAOYSA-N 0 0 345.483 5.129 10 0 EKAERN CCC(C)(C)CCC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960260 564177104 /nfs/dbraw/zinc/17/71/04/564177104.db2.gz ATDGQOLWGGAQDS-UHFFFAOYSA-N 0 0 347.499 5.209 10 0 EKAERN CC[C@H](C)[C@@H](C)C(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960264 564177088 /nfs/dbraw/zinc/17/70/88/564177088.db2.gz BCXNGMFRRZXBFQ-DLBZAZTESA-N 0 0 347.499 5.065 10 0 EKAERN CC[C@@H](C)[C@@H](C)C(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960265 564177112 /nfs/dbraw/zinc/17/71/12/564177112.db2.gz BCXNGMFRRZXBFQ-IAGOWNOFSA-N 0 0 347.499 5.065 10 0 EKAERN CC[C@H](C)[C@H](C)C(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960266 564177109 /nfs/dbraw/zinc/17/71/09/564177109.db2.gz BCXNGMFRRZXBFQ-IRXDYDNUSA-N 0 0 347.499 5.065 10 0 EKAERN CC[C@@H](C)[C@H](C)C(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960267 564177094 /nfs/dbraw/zinc/17/70/94/564177094.db2.gz BCXNGMFRRZXBFQ-SJORKVTESA-N 0 0 347.499 5.065 10 0 EKAERN CCCCCCC(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960288 564177098 /nfs/dbraw/zinc/17/70/98/564177098.db2.gz BYSFJDZYQANIKI-UHFFFAOYSA-N 0 0 347.499 5.353 10 0 EKAERN CC(C)CCCC(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960316 564177099 /nfs/dbraw/zinc/17/70/99/564177099.db2.gz DTYDHEAMADFIFH-UHFFFAOYSA-N 0 0 347.499 5.209 10 0 EKAERN CC(C)(C)CCCC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960364 564177123 /nfs/dbraw/zinc/17/71/23/564177123.db2.gz GPASPXPHEUVKOX-UHFFFAOYSA-N 0 0 347.499 5.209 10 0 EKAERN CCC[C@H](C)CC(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960434 564177137 /nfs/dbraw/zinc/17/71/37/564177137.db2.gz LMPKYSNXIGEAGL-KRWDZBQOSA-N 0 0 347.499 5.209 10 0 EKAERN CCC[C@@H](C)CC(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960435 564177131 /nfs/dbraw/zinc/17/71/31/564177131.db2.gz LMPKYSNXIGEAGL-QGZVFWFLSA-N 0 0 347.499 5.209 10 0 EKAERN CC(C)C[C@H](C)CC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960493 564177124 /nfs/dbraw/zinc/17/71/24/564177124.db2.gz NCGUZXFMQUKFBP-KRWDZBQOSA-N 0 0 347.499 5.065 10 0 EKAERN CC(C)C[C@@H](C)CC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960494 564177127 /nfs/dbraw/zinc/17/71/27/564177127.db2.gz NCGUZXFMQUKFBP-QGZVFWFLSA-N 0 0 347.499 5.065 10 0 EKAERN CC(C)C[C@H](C)C(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960520 564177133 /nfs/dbraw/zinc/17/71/33/564177133.db2.gz OTSLESQHAOSYQO-KRWDZBQOSA-N 0 0 347.499 5.065 10 0 EKAERN CC(C)C[C@@H](C)C(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960521 564177120 /nfs/dbraw/zinc/17/71/20/564177120.db2.gz OTSLESQHAOSYQO-QGZVFWFLSA-N 0 0 347.499 5.065 10 0 EKAERN CC(C)(C)CCC(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960529 564177136 /nfs/dbraw/zinc/17/71/36/564177136.db2.gz PFDNSYIYZFFYSB-UHFFFAOYSA-N 0 0 347.499 5.209 10 0 EKAERN CCC(CC)CC(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960663 564177167 /nfs/dbraw/zinc/17/71/67/564177167.db2.gz XKTKMRBVOLMIOE-UHFFFAOYSA-N 0 0 347.499 5.209 10 0 EKAERN CC(C)C(C)(C)CC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685961367 564177168 /nfs/dbraw/zinc/17/71/68/564177168.db2.gz HERMHVKRRLLHIF-UHFFFAOYSA-N 0 0 347.499 5.065 10 0 EKAERN CCC(C)(C)CC(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685961988 564177245 /nfs/dbraw/zinc/17/72/45/564177245.db2.gz QTBWFOMYWFIYCA-UHFFFAOYSA-N 0 0 347.499 5.209 10 0 EKAERN CC(C)=CCCC(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685962034 564177235 /nfs/dbraw/zinc/17/72/35/564177235.db2.gz RYYXQUMLRAHGBS-UHFFFAOYSA-N 0 0 345.483 5.129 10 0 EKAERN C[Si](C)(C)CCSCc1ccc(Cl)cc1Br ZINC000725245863 563976099 /nfs/dbraw/zinc/97/60/99/563976099.db2.gz MXOUNDMZNAAHKI-UHFFFAOYSA-N 0 0 337.786 5.674 10 0 EKAERN Cc1c(Br)cccc1-c1nn(C(C)C)cc1C(F)F ZINC000725269889 563987780 /nfs/dbraw/zinc/98/77/80/563987780.db2.gz GLVOXSDRXVRGEB-UHFFFAOYSA-N 0 0 329.188 5.140 10 0 EKAERN Cc1sc(-c2nn(C(C)C)cc2C(F)F)cc1Br ZINC000725270489 563987878 /nfs/dbraw/zinc/98/78/78/563987878.db2.gz OXIMNBZTLKGVQI-UHFFFAOYSA-N 0 0 335.217 5.201 10 0 EKAERN Cc1cccc(-c2nn(C(C)C)cc2C(F)F)c1Br ZINC000725271066 563988056 /nfs/dbraw/zinc/98/80/56/563988056.db2.gz WFORPTWUOOQQQY-UHFFFAOYSA-N 0 0 329.188 5.140 10 0 EKAERN CC(C)(C)OC(=O)/C=C/c1ccccc1Oc1ccc(F)cc1Cl ZINC000725273900 563988791 /nfs/dbraw/zinc/98/87/91/563988791.db2.gz RGPLTLUEPHLZPJ-DHZHZOJOSA-N 0 0 348.801 5.626 10 0 EKAERN