smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1c2c(sc1/N=C/c1cccc(C(F)(F)F)c1)CCCC2 ZINC000000027806 206211624 /nfs/dbraw/zinc/21/16/24/206211624.db2.gz YMELSMXYROQRIW-LSHDLFTRSA-N 0 0 334.366 5.268 40 30 EKEBRN C=C(C)CSc1nnc(SCc2cccc3ccccc32)s1 ZINC000000028533 518626280 /nfs/dbraw/zinc/62/62/80/518626280.db2.gz OGXMOMLNTQLIQL-UHFFFAOYSA-N 0 0 344.530 5.652 40 30 EKEBRN CCCc1ccc(C#N)c(SCc2ccc(Cl)c(Cl)c2)n1 ZINC000000033756 563967772 /nfs/dbraw/zinc/96/77/72/563967772.db2.gz JXJCOCUGZSOWDK-UHFFFAOYSA-N 0 0 337.275 5.505 40 30 EKEBRN Cc1ccccc1[C@@H]1Nc2ccc3ncccc3c2C2=C1C(=O)CCC2 ZINC000000035009 563964192 /nfs/dbraw/zinc/96/41/92/563964192.db2.gz QCEHOGQBJLVNHB-QHCPKHFHSA-N 0 0 340.426 5.217 40 30 EKEBRN Cc1ccccc1[C@H]1Nc2ccc3ncccc3c2C2=C1C(=O)CCC2 ZINC000000035010 563964171 /nfs/dbraw/zinc/96/41/71/563964171.db2.gz QCEHOGQBJLVNHB-HSZRJFAPSA-N 0 0 340.426 5.217 40 30 EKEBRN Cc1cc(C)c(Nc2cc(C)c(C#N)c3nc4ccccc4n32)c(C)c1 ZINC000000045158 209387611 /nfs/dbraw/zinc/38/76/11/209387611.db2.gz GNJSOVHDRBJGIA-UHFFFAOYSA-N 0 0 340.430 5.336 40 30 EKEBRN Clc1ccc(/N=C/c2ccc(OC3CSC3)cc2)c(Cl)c1 ZINC000000051338 209390083 /nfs/dbraw/zinc/39/00/83/209390083.db2.gz CLJBNVZGHLXILK-UFWORHAWSA-N 0 0 338.259 5.238 40 30 EKEBRN Cc1cc(O)c(/C=N/c2ccc3c4c(cccc42)CC3)c(C)c1Cl ZINC000000059962 209394724 /nfs/dbraw/zinc/39/47/24/209394724.db2.gz GAJDQKOEENCZOQ-FOKLQQMPSA-N 0 0 335.834 5.665 40 30 EKEBRN O=C(Oc1ccc(/C=N/c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000000061694 209396358 /nfs/dbraw/zinc/39/63/58/209396358.db2.gz HFPDZRXMUSWTIF-HYARGMPZSA-N 0 0 335.790 5.310 40 30 EKEBRN O=C1/C(=C\c2ccc(Cl)cc2)CC/C1=C/c1ccc(Cl)cc1 ZINC000000067727 564042087 /nfs/dbraw/zinc/04/20/87/564042087.db2.gz HOAWLEKLGGIUDF-NFLUSIDLSA-N 0 0 329.226 5.823 40 30 EKEBRN Cc1ccc(C(=O)/C=C/Sc2nc3cc(Cl)ccc3s2)cc1 ZINC000000068412 209399685 /nfs/dbraw/zinc/39/96/85/209399685.db2.gz OYRWPXIESYDDHE-CMDGGOBGSA-N 0 0 345.876 5.747 40 30 EKEBRN COc1ccc(/C=C2\CC(C)C/C(=C/c3ccc(OC)cc3)C2=O)cc1 ZINC000000069991 209399504 /nfs/dbraw/zinc/39/95/04/209399504.db2.gz PKCBZUFBRPBRKZ-FANOUHKGSA-N 0 0 348.442 5.170 40 30 EKEBRN O=C1c2ccccc2CCC/C1=C/c1ccc(Br)cc1 ZINC000000104126 563226981 /nfs/dbraw/zinc/22/69/81/563226981.db2.gz MKLUVKHXILPJIR-QINSGFPZSA-N 0 0 327.221 5.052 40 30 EKEBRN O=C1/C(=C/c2c[nH]c3ccccc23)CC/C1=C/c1c[nH]c2ccccc12 ZINC000000114716 209430854 /nfs/dbraw/zinc/43/08/54/209430854.db2.gz XWKQDPZDSGUBDK-UKVBVZPVSA-N 0 0 338.410 5.479 40 30 EKEBRN O=C1c2ccccc2S/C1=C\c1ccc(-c2cccc(Cl)c2)o1 ZINC000000196434 563996628 /nfs/dbraw/zinc/99/66/28/563996628.db2.gz GQYZOJWGABEMDC-WQRHYEAKSA-N 0 0 338.815 5.930 40 30 EKEBRN Cc1sc(/N=C/c2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000000217722 563262316 /nfs/dbraw/zinc/26/23/16/563262316.db2.gz PXODTRSIXZRWTH-KEBDBYFISA-N 0 0 347.270 6.176 40 30 EKEBRN Cc1ccc(O)c(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)c1 ZINC000000220106 563262310 /nfs/dbraw/zinc/26/23/10/563262310.db2.gz MRVLZKGGFYXQBY-LPYMAVHISA-N 0 0 344.439 5.728 40 30 EKEBRN Cc1ccc2nc(-c3ccc(/N=C/c4cccc(O)c4)cc3)sc2c1 ZINC000000225533 563999642 /nfs/dbraw/zinc/99/96/42/563999642.db2.gz YQOJCLZCRUMDRW-LPYMAVHISA-N 0 0 344.439 5.728 40 30 EKEBRN Cc1nn(-c2ccccc2)c(/N=C/c2cccs2)c1-c1ccccc1 ZINC000000242529 209500279 /nfs/dbraw/zinc/50/02/79/209500279.db2.gz RQRCPWYEAFHDBW-PXLXIMEGSA-N 0 0 343.455 5.660 40 30 EKEBRN Cc1ccc(-c2cc(-c3ccccc3)c3c(N)c(C#N)sc3n2)cc1 ZINC000000271107 563990030 /nfs/dbraw/zinc/99/00/30/563990030.db2.gz YDPONSLXMCKJKR-UHFFFAOYSA-N 0 0 341.439 5.393 40 30 EKEBRN Clc1ccc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)cc1 ZINC000000291219 563273826 /nfs/dbraw/zinc/27/38/26/563273826.db2.gz KJPAOQHXCOWVEX-LPYMAVHISA-N 0 0 332.790 5.899 40 30 EKEBRN CC(C)(C)c1ccc(O)c(/N=C/c2ccc(Br)cc2)c1 ZINC000000295937 563274723 /nfs/dbraw/zinc/27/47/23/563274723.db2.gz GMXGGMKGLJQQLY-YBFXNURJSA-N 0 0 332.241 5.203 40 30 EKEBRN Cc1cccc(/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)c1O ZINC000000318215 563996791 /nfs/dbraw/zinc/99/67/91/563996791.db2.gz OVJUKRDFSPTKIZ-FSJBWODESA-N 0 0 346.361 5.399 40 30 EKEBRN Cc1cccc(/C=N/c2ccc3oc(-c4ccc(F)cc4)nc3c2)c1O ZINC000000318219 209535052 /nfs/dbraw/zinc/53/50/52/209535052.db2.gz ADTFNLCFURLIFV-FSJBWODESA-N 0 0 346.361 5.399 40 30 EKEBRN Cc1ccc2oc(-c3ccc(/N=C/c4cccc(C)c4O)cc3)nc2c1 ZINC000000318239 563996794 /nfs/dbraw/zinc/99/67/94/563996794.db2.gz OAWBTBCWVKVANP-YDZHTSKRSA-N 0 0 342.398 5.568 40 30 EKEBRN Cc1ccc2nc(-c3ccc(/N=C/c4cccc(C)c4O)cc3)oc2c1 ZINC000000318246 563996781 /nfs/dbraw/zinc/99/67/81/563996781.db2.gz RFQKUJDPHPLKBP-YDZHTSKRSA-N 0 0 342.398 5.568 40 30 EKEBRN Cc1nn(-c2ccccc2)c(Cl)c1/C=N/c1ccc(Cl)cc1 ZINC000000320488 563996825 /nfs/dbraw/zinc/99/68/25/563996825.db2.gz BDSZDPXHBZBYMD-RGVLZGJSSA-N 0 0 330.218 5.238 40 30 EKEBRN Cc1cc2nc(-c3cccc(/N=C/c4ccccc4O)c3)oc2c(C)c1 ZINC000000326418 563996868 /nfs/dbraw/zinc/99/68/68/563996868.db2.gz IPSRZCWUMNUNDH-YDZHTSKRSA-N 0 0 342.398 5.568 40 30 EKEBRN Clc1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000000343175 563287320 /nfs/dbraw/zinc/28/73/20/563287320.db2.gz OFKCBHSLXXMLDV-DJKKODMXSA-N 0 0 333.243 5.868 40 30 EKEBRN Cc1ccc2oc(-c3ccc(/N=C/c4ccccc4O)c(C)c3)nc2c1 ZINC000000344785 563996813 /nfs/dbraw/zinc/99/68/13/563996813.db2.gz OJTNKZXGLKXKPM-YDZHTSKRSA-N 0 0 342.398 5.568 40 30 EKEBRN N#Cc1c2c(sc1/N=C/c1ccccc1C(F)(F)F)CCCC2 ZINC000000345014 563996821 /nfs/dbraw/zinc/99/68/21/563996821.db2.gz GEKJCVKRVNJEDO-LSHDLFTRSA-N 0 0 334.366 5.268 40 30 EKEBRN Cc1ccc2oc(-c3ccccc3/N=C/c3ccccc3O)nc2c1 ZINC000000345177 563996800 /nfs/dbraw/zinc/99/68/00/563996800.db2.gz DSGYCOPRZRJOQS-LPYMAVHISA-N 0 0 328.371 5.259 40 30 EKEBRN Cc1ccc(/N=C/c2ccc(-c3cc(C)c(C)cc3[N+](=O)[O-])o2)cc1C ZINC000000345257 563996806 /nfs/dbraw/zinc/99/68/06/563996806.db2.gz FVAFGWKTBBSWSQ-WSDLNYQXSA-N 0 0 348.402 5.839 40 30 EKEBRN Oc1ccccc1/C=N/c1ccc2oc(-c3ccccc3F)nc2c1 ZINC000000345527 563996817 /nfs/dbraw/zinc/99/68/17/563996817.db2.gz PMMOFNZFINEODN-WSDLNYQXSA-N 0 0 332.334 5.090 40 30 EKEBRN CCOc1ccc(/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000000352799 563996872 /nfs/dbraw/zinc/99/68/72/563996872.db2.gz GOTYLZJJTLKFNU-DEDYPNTBSA-N 0 0 336.347 5.004 40 30 EKEBRN CCN(CC)c1ccc(/C=N/c2ncc(-c3ccccc3)s2)cc1 ZINC000000353467 563996905 /nfs/dbraw/zinc/99/69/05/563996905.db2.gz ZLJNMMSTRSFWGR-KGENOOAVSA-N 0 0 335.476 5.407 40 30 EKEBRN Brc1ccc(/C=N/c2ccc3c4c(cccc42)CC3)cc1 ZINC000000354153 563290438 /nfs/dbraw/zinc/29/04/38/563290438.db2.gz ODDSQXSGRQWNNJ-CIAFOILYSA-N 0 0 336.232 5.452 40 30 EKEBRN Brc1cc(/C=N/c2ccccc2)sc1Br ZINC000000369287 209556515 /nfs/dbraw/zinc/55/65/15/209556515.db2.gz NOOYYXCOJXZHRY-VGOFMYFVSA-N 0 0 345.059 5.024 40 30 EKEBRN Cc1ccc2nc(Nc3cccc(C(F)(F)F)c3)c(C#N)cc2c1 ZINC000000373779 564133142 /nfs/dbraw/zinc/13/31/42/564133142.db2.gz BOAKDIULIZHPLL-UHFFFAOYSA-N 0 0 327.309 5.177 40 30 EKEBRN C[C@H]1CCc2c(C#N)c(/N=C/c3c(O)ccc4ccccc43)sc2C1 ZINC000000411693 563997083 /nfs/dbraw/zinc/99/70/83/563997083.db2.gz IAAYVNIHBPAWPZ-ZXCVBSDHSA-N 0 0 346.455 5.354 40 30 EKEBRN C[C@@H]1CCc2c(C#N)c(/N=C/c3c(O)ccc4ccccc43)sc2C1 ZINC000000411695 563997064 /nfs/dbraw/zinc/99/70/64/563997064.db2.gz IAAYVNIHBPAWPZ-GHONEHJGSA-N 0 0 346.455 5.354 40 30 EKEBRN CC(C)(C)c1ccc([C@@H](CC(=O)c2ccccc2)C(C#N)C#N)cc1 ZINC000000411820 519047124 /nfs/dbraw/zinc/04/71/24/519047124.db2.gz FKFWFOUFGAPENS-HXUWFJFHSA-N 0 0 330.431 5.004 40 30 EKEBRN CC(C)(C)c1ccc([C@H](CC(=O)c2ccccc2)C(C#N)C#N)cc1 ZINC000000411821 519050239 /nfs/dbraw/zinc/05/02/39/519050239.db2.gz FKFWFOUFGAPENS-FQEVSTJZSA-N 0 0 330.431 5.004 40 30 EKEBRN Cc1ccc(C(=O)CSc2nc3cc(C)cc(C)c3cc2C#N)cc1 ZINC000000412232 205450352 /nfs/dbraw/zinc/45/03/52/205450352.db2.gz ICHSVCFGZQVCKJ-UHFFFAOYSA-N 0 0 346.455 5.007 40 30 EKEBRN CC(=O)c1ccc(N=Cc2ccc(N3Cc4ccccc4C3)cc2)cc1 ZINC000000437953 564012636 /nfs/dbraw/zinc/01/26/36/564012636.db2.gz FETZWQVLJAAJRP-ZVHZXABRSA-N 0 0 340.426 5.160 40 30 EKEBRN Cc1cc2c(cc1C)CN(c1ccc(/C=N/c3ccc(O)cc3)cc1)C2 ZINC000000439149 564012622 /nfs/dbraw/zinc/01/26/22/564012622.db2.gz PBOLAGPFAYFWFJ-ZMOGYAJESA-N 0 0 342.442 5.280 40 30 EKEBRN O=[N+]([O-])c1ccc(-c2ccc(/N=C/c3c[nH]c4ccccc34)cc2)cc1 ZINC000000439163 209600449 /nfs/dbraw/zinc/60/04/49/209600449.db2.gz DABGWPYWLXUYIR-LPYMAVHISA-N 0 0 341.370 5.494 40 30 EKEBRN COc1ccc(Oc2ccc(NC=CC(=O)c3ccccc3)cc2)cc1 ZINC000000479232 563335805 /nfs/dbraw/zinc/33/58/05/563335805.db2.gz DOJKMNSHCTYJGM-FOCLMDBBSA-N 0 0 345.398 5.296 40 30 EKEBRN O=C1c2ccccc2S/C1=C\c1cccc(Oc2ccccc2)c1 ZINC000000498520 564082690 /nfs/dbraw/zinc/08/26/90/564082690.db2.gz MZZOSOZHIGZQJQ-ZHZULCJRSA-N 0 0 330.408 5.808 40 30 EKEBRN N#Cc1ccc(-c2ccco2)nc1SCc1ccc(Cl)cc1 ZINC000000521853 564133379 /nfs/dbraw/zinc/13/33/79/564133379.db2.gz IKJJYRKYOXEIBW-UHFFFAOYSA-N 0 0 326.808 5.159 40 30 EKEBRN Cc1cc(C)cc(Oc2cc(C#N)c(C#N)cc2N2CCCCCC2)c1 ZINC000000556271 564133404 /nfs/dbraw/zinc/13/34/04/564133404.db2.gz YMXFRYYNHQJXON-UHFFFAOYSA-N 0 0 345.446 5.220 40 30 EKEBRN C(=N/c1nc2c(s1)CCc1ccccc1-2)\c1cccc2ccccc12 ZINC000000559720 563346959 /nfs/dbraw/zinc/34/69/59/563346959.db2.gz ZMZQJZFFTBVULN-OEAKJJBVSA-N 0 0 340.451 5.813 40 30 EKEBRN N#Cc1ccccc1Cn1cc(C(=O)C2CCCCC2)c2ccccc21 ZINC000000561030 257869919 /nfs/dbraw/zinc/86/99/19/257869919.db2.gz FBGAYAOPQWLSIJ-UHFFFAOYSA-N 0 0 342.442 5.324 40 30 EKEBRN Cc1oc(/N=C/c2cccc(OCc3ccc(C)cc3)c2)c(C#N)c1C ZINC000000561459 564012720 /nfs/dbraw/zinc/01/27/20/564012720.db2.gz DFPDSTCSTLIWHC-ZMOGYAJESA-N 0 0 344.414 5.406 40 30 EKEBRN Cc1oc(/N=C/c2ccc(OCc3ccc(C)cc3)cc2)c(C#N)c1C ZINC000000561463 206242296 /nfs/dbraw/zinc/24/22/96/206242296.db2.gz ZNRNDWQTWZCYRN-ZMOGYAJESA-N 0 0 344.414 5.406 40 30 EKEBRN CC[C@@H](C)c1ccccc1/N=C/c1cc(C)cc(Br)c1O ZINC000000568856 564082854 /nfs/dbraw/zinc/08/28/54/564082854.db2.gz RUNCIJDEGWTJRO-AYPRBGQRSA-N 0 0 346.268 5.727 40 30 EKEBRN CC[C@H](C)c1ccccc1/N=C/c1cc(C)cc(Br)c1O ZINC000000568858 564082829 /nfs/dbraw/zinc/08/28/29/564082829.db2.gz RUNCIJDEGWTJRO-HSWQHBDASA-N 0 0 346.268 5.727 40 30 EKEBRN CC[C@@H](C)c1ccccc1/N=C/c1cc(Br)cc(C)c1O ZINC000000568993 564082837 /nfs/dbraw/zinc/08/28/37/564082837.db2.gz WOIVKIZIKMMMNP-ZICWZVMQSA-N 0 0 346.268 5.727 40 30 EKEBRN CC[C@H](C)c1ccccc1/N=C/c1cc(Br)cc(C)c1O ZINC000000568995 564082846 /nfs/dbraw/zinc/08/28/46/564082846.db2.gz WOIVKIZIKMMMNP-DQAKUKQTSA-N 0 0 346.268 5.727 40 30 EKEBRN CC[C@@H](C)c1ccccc1/N=C/c1cc(Br)ccc1O ZINC000000569002 564082820 /nfs/dbraw/zinc/08/28/20/564082820.db2.gz RQZDUHCWYVFBNB-ZGXHQARYSA-N 0 0 332.241 5.419 40 30 EKEBRN CC[C@H](C)c1ccccc1/N=C/c1cc(Br)ccc1O ZINC000000569004 564082849 /nfs/dbraw/zinc/08/28/49/564082849.db2.gz RQZDUHCWYVFBNB-MKFNJMOCSA-N 0 0 332.241 5.419 40 30 EKEBRN CCOc1cc(Cl)cc(/C=N/c2ccccc2[C@H](C)CC)c1O ZINC000000569016 564082824 /nfs/dbraw/zinc/08/28/24/564082824.db2.gz ODMBEAFHFHHVBY-LNOXHEFASA-N 0 0 331.843 5.708 40 30 EKEBRN CCOc1cc(Cl)cc(/C=N/c2ccccc2[C@@H](C)CC)c1O ZINC000000569018 564082834 /nfs/dbraw/zinc/08/28/34/564082834.db2.gz ODMBEAFHFHHVBY-XMOVILSBSA-N 0 0 331.843 5.708 40 30 EKEBRN Cc1cc(Cl)c(O)c(/C=N/c2ccccc2N2CCCCC2)c1 ZINC000000569781 524849875 /nfs/dbraw/zinc/84/98/75/524849875.db2.gz QNAIMODZTIUXSN-FYJGNVAPSA-N 0 0 328.843 5.095 40 30 EKEBRN C[C@H]1CCc2c(C#N)c(NC(=O)c3cccc4ccccc43)sc2C1 ZINC000000570353 564133446 /nfs/dbraw/zinc/13/34/46/564133446.db2.gz GXEUESVRVWNOIA-ZDUSSCGKSA-N 0 0 346.455 5.150 40 30 EKEBRN C[C@@H]1CCc2c(C#N)c(NC(=O)c3cccc4ccccc43)sc2C1 ZINC000000570354 564133447 /nfs/dbraw/zinc/13/34/47/564133447.db2.gz GXEUESVRVWNOIA-CYBMUJFWSA-N 0 0 346.455 5.150 40 30 EKEBRN CC(C)c1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 ZINC000000570361 564133448 /nfs/dbraw/zinc/13/34/48/564133448.db2.gz MEJDQGIXTQOVJM-ZDUSSCGKSA-N 0 0 338.476 5.120 40 30 EKEBRN CC(C)c1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 ZINC000000570362 564133431 /nfs/dbraw/zinc/13/34/31/564133431.db2.gz MEJDQGIXTQOVJM-CYBMUJFWSA-N 0 0 338.476 5.120 40 30 EKEBRN Cc1ccc(Oc2cc(C#N)c(C#N)cc2Oc2ccc(C)cc2)cc1 ZINC000000572104 564133441 /nfs/dbraw/zinc/13/34/41/564133441.db2.gz BFBCHNAQLMDKSO-UHFFFAOYSA-N 0 0 340.382 5.631 40 30 EKEBRN N#Cc1c(/N=C/c2ccc[nH]2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000000573318 206243695 /nfs/dbraw/zinc/24/36/95/206243695.db2.gz SVFWVPGXRSAMEK-MFKUBSTISA-N 0 0 337.382 5.564 40 30 EKEBRN COC(=O)c1ccccc1-c1ccc(/C=N/c2cccc(Cl)c2)o1 ZINC000000574698 564078280 /nfs/dbraw/zinc/07/82/80/564078280.db2.gz KOUFVJVXEWCAAC-CIAFOILYSA-N 0 0 339.778 5.137 40 30 EKEBRN COC(=O)c1ccccc1-c1ccc(/C=N/c2ccc(Cl)cc2)o1 ZINC000000574716 564078295 /nfs/dbraw/zinc/07/82/95/564078295.db2.gz HITCYCUYGZISCR-CIAFOILYSA-N 0 0 339.778 5.137 40 30 EKEBRN Cc1ccc(/N=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)cc1C ZINC000001102842 564065595 /nfs/dbraw/zinc/06/55/95/564065595.db2.gz RDEMOTLTGWIVOC-CIAFOILYSA-N 0 0 347.443 5.675 40 30 EKEBRN C(=N/c1ccc(Nc2ccccc2)cc1)\c1cccn1-c1ccccc1 ZINC000001102933 564065582 /nfs/dbraw/zinc/06/55/82/564065582.db2.gz DDRIDGNFXZEOQV-HKOYGPOVSA-N 0 0 337.426 5.972 40 30 EKEBRN CCOc1ccc(/N=C/c2nc(-c3ccccc3)n3ccccc23)cc1 ZINC000001236095 564084414 /nfs/dbraw/zinc/08/44/14/564084414.db2.gz UZMGRQMZXZPERM-XQNSMLJCSA-N 0 0 341.414 5.151 40 30 EKEBRN Cc1ccc(-c2nc3cc(/N=C/c4cccc(F)c4O)ccc3o2)cc1 ZINC000001434409 563389271 /nfs/dbraw/zinc/38/92/71/563389271.db2.gz HKZMGKUBKBSEGR-FSJBWODESA-N 0 0 346.361 5.399 40 30 EKEBRN C=CCn1c(-c2ccc(C)cc2)csc1=Nc1cccc(C)c1C ZINC000001455060 209751096 /nfs/dbraw/zinc/75/10/96/209751096.db2.gz RCDIUKGDWWXQSV-UHFFFAOYSA-O 0 0 335.496 5.557 40 30 EKEBRN C=CCn1c(-c2ccc(C)cc2)csc1=Nc1ccc(Cl)cc1 ZINC000001466423 209753523 /nfs/dbraw/zinc/75/35/23/209753523.db2.gz SEASQOUBARUBJW-UHFFFAOYSA-O 0 0 341.887 5.594 40 30 EKEBRN CCC[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000001482194 257869288 /nfs/dbraw/zinc/86/92/88/257869288.db2.gz LZSOOHLAZHOTHJ-VEYVBMQYSA-N 0 0 330.512 5.050 40 30 EKEBRN c1ccc(C(=NC(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000001555249 563391852 /nfs/dbraw/zinc/39/18/52/563391852.db2.gz SMRJHVJMMYECFQ-UHFFFAOYSA-N 0 0 347.461 6.314 40 30 EKEBRN CCCCCCCCCCCCNc1nnc(Cl)c2ccccc21 ZINC000001555766 520012486 /nfs/dbraw/zinc/01/24/86/520012486.db2.gz QHSHOEPUYOFRCU-UHFFFAOYSA-N 0 0 347.934 6.616 40 30 EKEBRN CCCCCCC(=O)/C=C/c1ccc(OC(=O)c2ccccc2)cc1 ZINC000001561030 519947822 /nfs/dbraw/zinc/94/78/22/519947822.db2.gz OHJLFHLWELUDDH-NTCAYCPXSA-N 0 0 336.431 5.459 40 30 EKEBRN N#Cc1cccc(C[C@](O)(c2ccccc2)c2cccc3ccccc32)c1 ZINC000001562871 201511016 /nfs/dbraw/zinc/51/10/16/201511016.db2.gz WBNGYSIYXSSWEV-VWLOTQADSA-N 0 0 349.433 5.190 40 30 EKEBRN CC(C)c1cc(C=C2C(=O)c3ccccc3C2=O)cc(C(C)C)c1O ZINC000001564152 564013042 /nfs/dbraw/zinc/01/30/42/564013042.db2.gz BNXHOASWMHXZOK-UHFFFAOYSA-N 0 0 334.415 5.102 40 30 EKEBRN CC(C)(C)c1ccc(SCC#CCOc2ccc(Cl)cc2)cc1 ZINC000001564773 564074694 /nfs/dbraw/zinc/07/46/94/564074694.db2.gz XHFLXRJTLZFSRN-UHFFFAOYSA-N 0 0 344.907 5.812 40 30 EKEBRN N#C[C@H](c1ccccc1)[C@@H](c1ccccc1)c1cccc2ccccc21 ZINC000001564946 563392575 /nfs/dbraw/zinc/39/25/75/563392575.db2.gz ORUOOZRLKXSWDE-RPBOFIJWSA-N 0 0 333.434 6.279 40 30 EKEBRN N#C[C@@H](c1ccccc1)[C@@H](c1ccccc1)c1cccc2ccccc21 ZINC000001564947 209759974 /nfs/dbraw/zinc/75/99/74/209759974.db2.gz ORUOOZRLKXSWDE-DQEYMECFSA-N 0 0 333.434 6.279 40 30 EKEBRN N#C[C@H](c1ccccc1)[C@H](c1ccccc1)c1cccc2ccccc21 ZINC000001564948 209759922 /nfs/dbraw/zinc/75/99/22/209759922.db2.gz ORUOOZRLKXSWDE-JWQCQUIFSA-N 0 0 333.434 6.279 40 30 EKEBRN N#C[C@@H](c1ccccc1)[C@H](c1ccccc1)c1cccc2ccccc21 ZINC000001564949 563392563 /nfs/dbraw/zinc/39/25/63/563392563.db2.gz ORUOOZRLKXSWDE-LOSJGSFVSA-N 0 0 333.434 6.279 40 30 EKEBRN N#Cc1ccc(OC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000001590803 564081698 /nfs/dbraw/zinc/08/16/98/564081698.db2.gz RJCVSFVWRQPMBO-UHFFFAOYSA-N 0 0 341.581 5.129 40 30 EKEBRN CC1=C(C(c2ccccc2)c2ccccc2)C(=O)c2ccccc2C1=O ZINC000001593912 563395372 /nfs/dbraw/zinc/39/53/72/563395372.db2.gz XFNILMZFMFGHFM-UHFFFAOYSA-N 0 0 338.406 5.214 40 30 EKEBRN CCCCCCCCC1[C@](C)(c2ccccc2)C[C@]1(C)c1ccccc1 ZINC000001597252 563395386 /nfs/dbraw/zinc/39/53/86/563395386.db2.gz QORQBLPMUTXIGN-NXMIGULDSA-N 0 0 348.574 7.673 40 30 EKEBRN CCCCCCCCC1[C@](C)(c2ccccc2)C[C@@]1(C)c1ccccc1 ZINC000001597253 519974908 /nfs/dbraw/zinc/97/49/08/519974908.db2.gz QORQBLPMUTXIGN-UIOOFZCWSA-N 0 0 348.574 7.673 40 30 EKEBRN CCCCCCCCC1[C@@](C)(c2ccccc2)C[C@]1(C)c1ccccc1 ZINC000001597254 519975523 /nfs/dbraw/zinc/97/55/23/519975523.db2.gz QORQBLPMUTXIGN-CLJLJLNGSA-N 0 0 348.574 7.673 40 30 EKEBRN Clc1ccc(/N=C(\Nc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000001601724 564065546 /nfs/dbraw/zinc/06/55/46/564065546.db2.gz OMRLGOAOZFVZLR-UHFFFAOYSA-N 0 0 341.241 6.184 40 30 EKEBRN CCCCCCCCCCCc1cc(=O)n(-c2ccccc2)n1C ZINC000001601764 563395800 /nfs/dbraw/zinc/39/58/00/563395800.db2.gz ACTZLHMSBHAJQG-UHFFFAOYSA-N 0 0 328.500 5.249 40 30 EKEBRN C=CCOc1ccc(/C(CC)=C(/CC)c2ccc(OCC=C)cc2)cc1 ZINC000001620705 564074742 /nfs/dbraw/zinc/07/47/42/564074742.db2.gz ZYOWCEUIZONTOK-VHXPQNKSSA-N 0 0 348.486 6.547 40 30 EKEBRN C=CCOc1ccc(/C(CC)=C(\CC)c2ccc(OCC=C)cc2)cc1 ZINC000001620706 209768794 /nfs/dbraw/zinc/76/87/94/209768794.db2.gz ZYOWCEUIZONTOK-WCWDXBQESA-N 0 0 348.486 6.547 40 30 EKEBRN Cc1nn(Cc2ccc(Cl)cc2Cl)c2c1cc(C)c(C)c2C#N ZINC000001625174 564081841 /nfs/dbraw/zinc/08/18/41/564081841.db2.gz VPIYJNUXQLMYJP-UHFFFAOYSA-N 0 0 344.245 5.188 40 30 EKEBRN Cc1c2cc(C)c(C)c(C#N)c2nn1Cc1ccc(Cl)cc1Cl ZINC000001625175 564081840 /nfs/dbraw/zinc/08/18/40/564081840.db2.gz MZZVYCIUYSJEMS-UHFFFAOYSA-N 0 0 344.245 5.188 40 30 EKEBRN O=C1/C(=C/c2ccc(Cl)cc2)CC[C@H]1CNc1ccc(Cl)cc1 ZINC000001625966 201514452 /nfs/dbraw/zinc/51/44/52/201514452.db2.gz JOAUFDHOAGJLJG-GOFCXVBSSA-N 0 0 346.257 5.468 40 30 EKEBRN O=C1/C(=C\c2ccc(Cl)cc2)CC[C@H]1CNc1ccc(Cl)cc1 ZINC000001625967 563397837 /nfs/dbraw/zinc/39/78/37/563397837.db2.gz JOAUFDHOAGJLJG-SZGZABIGSA-N 0 0 346.257 5.468 40 30 EKEBRN O=C1/C(=C/c2ccc(Cl)cc2)CC[C@@H]1CNc1ccc(Cl)cc1 ZINC000001625968 563397770 /nfs/dbraw/zinc/39/77/70/563397770.db2.gz JOAUFDHOAGJLJG-ATGUSINASA-N 0 0 346.257 5.468 40 30 EKEBRN O=C1/C(=C\c2ccc(Cl)cc2)CC[C@@H]1CNc1ccc(Cl)cc1 ZINC000001625969 201514266 /nfs/dbraw/zinc/51/42/66/201514266.db2.gz JOAUFDHOAGJLJG-QKXCFHHRSA-N 0 0 346.257 5.468 40 30 EKEBRN CC(C)c1cccc(C(C)C)c1NC1=CC(=O)C(=O)c2ccccc21 ZINC000001626472 563397748 /nfs/dbraw/zinc/39/77/48/563397748.db2.gz LMNZTONKUYDHAJ-UHFFFAOYSA-N 0 0 333.431 5.152 40 30 EKEBRN CCCCCCN(CCCCCC)C1=CC(=O)C(=O)c2ccccc21 ZINC000001626473 563397839 /nfs/dbraw/zinc/39/78/39/563397839.db2.gz QBXBFZZCMCHOPK-UHFFFAOYSA-N 0 0 341.495 5.256 40 30 EKEBRN CC(C)(C)c1cc(Oc2ccc(C#N)c(C#N)c2)cc(C(C)(C)C)c1 ZINC000001630063 564081830 /nfs/dbraw/zinc/08/18/30/564081830.db2.gz YLBBICDJFMVMNR-UHFFFAOYSA-N 0 0 332.447 5.817 40 30 EKEBRN CCCC[C@](C#N)(c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000001632684 563398116 /nfs/dbraw/zinc/39/81/16/563398116.db2.gz CTAZCSKQDRVENS-VWLOTQADSA-N 0 0 339.482 6.470 40 30 EKEBRN N#C[C@@H](Nc1cccc(C(F)(F)F)c1)c1ccccc1C(F)(F)F ZINC000001633809 209771242 /nfs/dbraw/zinc/77/12/42/209771242.db2.gz NSTPNFTWKQYQIY-CQSZACIVSA-N 0 0 344.258 5.401 40 30 EKEBRN O=C1CCCC2=C1CC1=C(CCCC1=O)N2c1cccc2ccccc21 ZINC000001640469 135655783 /nfs/dbraw/zinc/65/57/83/135655783.db2.gz TWONXSIBWQBOKZ-UHFFFAOYSA-N 0 0 343.426 5.064 40 30 EKEBRN CCCCCCN(C(=O)Oc1ccccc1)[C@H](C#N)c1ccccc1 ZINC000001647926 520075241 /nfs/dbraw/zinc/07/52/41/520075241.db2.gz RMPDARWUDHEONV-HXUWFJFHSA-N 0 0 336.435 5.333 40 30 EKEBRN Cc1cc(C)c(C2=CC(=O)C(c3c(C)cc(C)cc3C)=CC2=O)c(C)c1 ZINC000001651906 563399259 /nfs/dbraw/zinc/39/92/59/563399259.db2.gz VCVJQGLXBSXVHH-UHFFFAOYSA-N 0 0 344.454 5.156 40 30 EKEBRN Clc1ccc(/C=N/OCc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000001661521 209777295 /nfs/dbraw/zinc/77/72/95/209777295.db2.gz UDXQLSHYGDDOTA-FBCYGCLPSA-N 0 0 349.044 5.851 40 30 EKEBRN O=C1C(=O)/C(=C\c2ccccc2)CCCCCCC1=Cc1ccccc1 ZINC000001662243 563399968 /nfs/dbraw/zinc/39/99/68/563399968.db2.gz GPQZWIGTGCTQJK-SVJWQLCWSA-N 0 0 344.454 5.646 40 30 EKEBRN CCCC1=C(c2ccccc2)[C@@](O)(c2ccccc2)[C@@H](CCC)C1=O ZINC000001666349 564099005 /nfs/dbraw/zinc/09/90/05/564099005.db2.gz XAYKGPNIVWPWTC-NZQKXSOJSA-N 0 0 334.459 5.127 40 30 EKEBRN CCCC1=C(c2ccccc2)[C@@](O)(c2ccccc2)[C@H](CCC)C1=O ZINC000001666350 564099001 /nfs/dbraw/zinc/09/90/01/564099001.db2.gz XAYKGPNIVWPWTC-NFBKMPQASA-N 0 0 334.459 5.127 40 30 EKEBRN CCCC1=C(c2ccccc2)[C@](O)(c2ccccc2)[C@@H](CCC)C1=O ZINC000001666351 201516520 /nfs/dbraw/zinc/51/65/20/201516520.db2.gz XAYKGPNIVWPWTC-REWPJTCUSA-N 0 0 334.459 5.127 40 30 EKEBRN CCCC1=C(c2ccccc2)[C@](O)(c2ccccc2)[C@H](CCC)C1=O ZINC000001666352 564098991 /nfs/dbraw/zinc/09/89/91/564098991.db2.gz XAYKGPNIVWPWTC-OFNKIYASSA-N 0 0 334.459 5.127 40 30 EKEBRN CCCCCCCCCCOC(=O)Nc1cccc2ccccc21 ZINC000001668683 520019769 /nfs/dbraw/zinc/01/97/69/520019769.db2.gz DJMSZYYMTNVPCZ-UHFFFAOYSA-N 0 0 327.468 6.529 40 30 EKEBRN CCCCCCCCCCSCN1C(=O)c2ccccc2C1=O ZINC000001672788 520023873 /nfs/dbraw/zinc/02/38/73/520023873.db2.gz KQZQUMPBZXFAAT-UHFFFAOYSA-N 0 0 333.497 5.114 40 30 EKEBRN C#CCOc1ccc([C@@H](CC)[C@H](CC)c2ccc(OCC#C)cc2)cc1 ZINC000001677725 518325332 /nfs/dbraw/zinc/32/53/32/518325332.db2.gz HITRPXJUQPKJRE-DNQXCXABSA-N 0 0 346.470 5.398 40 30 EKEBRN Cc1ccc(C(C)C)cc1NC1=C(Cl)C(=O)c2ccccc2C1=O ZINC000001677891 563402361 /nfs/dbraw/zinc/40/23/61/563402361.db2.gz MWCCDCMBEFDFIX-UHFFFAOYSA-N 0 0 339.822 5.060 40 30 EKEBRN Cc1ccc(N2C(=O)ON(c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000001680122 564099018 /nfs/dbraw/zinc/09/90/18/564099018.db2.gz QMWNNXHRCDBXTL-HXUWFJFHSA-N 0 0 330.387 5.072 40 30 EKEBRN C#CCOc1ccc(/C(CC)=C(/CC)c2ccc(OCC#C)cc2)cc1 ZINC000001685699 564074730 /nfs/dbraw/zinc/07/47/30/564074730.db2.gz LCTYVHULSYWGNJ-VHXPQNKSSA-N 0 0 344.454 5.441 40 30 EKEBRN C#CCOc1ccc(/C(CC)=C(\CC)c2ccc(OCC#C)cc2)cc1 ZINC000001685700 564074729 /nfs/dbraw/zinc/07/47/29/564074729.db2.gz LCTYVHULSYWGNJ-WCWDXBQESA-N 0 0 344.454 5.441 40 30 in-vitro EKEBRN CCCCCCCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000001687888 519966378 /nfs/dbraw/zinc/96/63/78/519966378.db2.gz VEJHBNSTZDNKOS-UHFFFAOYSA-N 0 0 338.447 5.440 40 30 EKEBRN CCCCCCCc1ccc(/N=C/c2ccc(OCCC)cc2)cc1 ZINC000001692758 209782483 /nfs/dbraw/zinc/78/24/83/209782483.db2.gz ZKIXLCCWIJFEJL-LYBHJNIJSA-N 0 0 337.507 6.739 40 30 EKEBRN C#C[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000001695770 564074696 /nfs/dbraw/zinc/07/46/96/564074696.db2.gz SQRBBVVZRKZEPF-ZEPKUMPTSA-N 0 0 340.507 5.130 40 30 EKEBRN CCCCCCCCCCc1ccc2c(c1)C[C@H]1c3ccccc3C[C@H]21 ZINC000001697638 520024910 /nfs/dbraw/zinc/02/49/10/520024910.db2.gz RUOURQNTWBHAPC-FTJBHMTQSA-N 0 0 346.558 7.349 40 30 EKEBRN CCCCCCCCCCc1ccc2c(c1)C[C@H]1c3ccccc3C[C@@H]21 ZINC000001697639 520024988 /nfs/dbraw/zinc/02/49/88/520024988.db2.gz RUOURQNTWBHAPC-UIOOFZCWSA-N 0 0 346.558 7.349 40 30 EKEBRN CCCCCCCCCCc1ccc2c(c1)C[C@@H]1c3ccccc3C[C@H]21 ZINC000001697640 520025612 /nfs/dbraw/zinc/02/56/12/520025612.db2.gz RUOURQNTWBHAPC-CLJLJLNGSA-N 0 0 346.558 7.349 40 30 EKEBRN CCCCCCCCCCc1ccc2c(c1)C[C@@H]1c3ccccc3C[C@@H]21 ZINC000001697641 520026401 /nfs/dbraw/zinc/02/64/01/520026401.db2.gz RUOURQNTWBHAPC-IZZNHLLZSA-N 0 0 346.558 7.349 40 30 EKEBRN CCCCCCCCCCCCc1c2ccccc2cc2ccccc21 ZINC000001703238 520015042 /nfs/dbraw/zinc/01/50/42/520015042.db2.gz JORZBSFPMKMFMU-UHFFFAOYSA-N 0 0 346.558 8.456 40 30 EKEBRN C(=N/N=C1c2ccccc2-c2ccccc21)\c1cccc2ccccc12 ZINC000001710169 563406133 /nfs/dbraw/zinc/40/61/33/563406133.db2.gz YNEZTEXFPYQEBK-PCLIKHOPSA-N 0 0 332.406 5.692 40 30 EKEBRN CO/C(=N/c1cccc2ccccc21)Nc1cccc2ccccc21 ZINC000001711202 563406157 /nfs/dbraw/zinc/40/61/57/563406157.db2.gz BLCAOISRMODSIX-UHFFFAOYSA-N 0 0 326.399 5.739 40 30 EKEBRN CCO/C(=N/c1cccc2ccccc21)Nc1cccc2ccccc21 ZINC000001711206 563406221 /nfs/dbraw/zinc/40/62/21/563406221.db2.gz BVHOBSVOYAJCCC-UHFFFAOYSA-N 0 0 340.426 6.129 40 30 EKEBRN CCCCCCCCOC(=O)COc1ccc(Cl)cc1Cl ZINC000001719219 520039414 /nfs/dbraw/zinc/03/94/14/520039414.db2.gz JWEDKKSQRXHXJD-UHFFFAOYSA-N 0 0 333.255 5.276 40 30 EKEBRN N#CCCN(C(=O)Nc1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000001720712 563406887 /nfs/dbraw/zinc/40/68/87/563406887.db2.gz SDWYNOYKFXHEBX-UHFFFAOYSA-N 0 0 340.254 5.074 40 30 EKEBRN CCCCCCCCc1ccc2c3ccccc3c3ccccc3c2c1 ZINC000001723496 563407227 /nfs/dbraw/zinc/40/72/27/563407227.db2.gz DLCJONKEYRKZTI-UHFFFAOYSA-N 0 0 340.510 8.049 40 30 EKEBRN C=CCc1cc(/C(CC)=C(/CC)c2ccc(O)c(CC=C)c2)ccc1O ZINC000001724722 564074745 /nfs/dbraw/zinc/07/47/45/564074745.db2.gz NUKHDOPGAIWQMC-DQRAZIAOSA-N 0 0 348.486 6.286 40 30 EKEBRN CCCCCCCCCCCCOc1ccc(Br)cc1 ZINC000001729192 520012348 /nfs/dbraw/zinc/01/23/48/520012348.db2.gz UANZNBAPFCQDCN-UHFFFAOYSA-N 0 0 341.333 6.749 40 30 EKEBRN CCCCCCCCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000001729639 519972646 /nfs/dbraw/zinc/97/26/46/519972646.db2.gz GPGRELSHWAIUBG-UHFFFAOYSA-N 0 0 339.504 6.567 40 30 EKEBRN CCCCCCCCCC(=O)NC(=S)Nc1c(C)cccc1C ZINC000001753062 563409549 /nfs/dbraw/zinc/40/95/49/563409549.db2.gz JZMZAHACVXWDFZ-UHFFFAOYSA-N 0 0 334.529 5.257 40 30 EKEBRN CCCCCCCCCC(=O)NC(=S)Nc1ccc(Cl)cc1 ZINC000001753064 519974846 /nfs/dbraw/zinc/97/48/46/519974846.db2.gz IBQANYZSBTWGKI-UHFFFAOYSA-N 0 0 340.920 5.294 40 30 EKEBRN CC1(C)C/C(=C/c2cccc(Br)c2)C(=O)c2ccccc21 ZINC000001754600 563409556 /nfs/dbraw/zinc/40/95/56/563409556.db2.gz AOFSBFOPRGMIMO-UVTDQMKNSA-N 0 0 341.248 5.397 40 30 EKEBRN CCCCCCCCCCCC1=NC(C)(C)CN1c1ccccc1 ZINC000001768297 563410263 /nfs/dbraw/zinc/41/02/63/563410263.db2.gz XYMKQFAGAOZDEI-UHFFFAOYSA-N 0 0 328.544 6.605 40 30 EKEBRN FC(F)(F)C(F)(F)C(F)(F)Sc1nc2ccccc2s1 ZINC000001799247 563412490 /nfs/dbraw/zinc/41/24/90/563412490.db2.gz NOBKMHUQOYHLNG-UHFFFAOYSA-N 0 0 335.269 5.179 40 30 EKEBRN CC(=O)c1ccc(N=CC=C2C=C(c3ccccc3)OC(C)(C)O2)cc1 ZINC000001816158 564003684 /nfs/dbraw/zinc/00/36/84/564003684.db2.gz VCJDIAWNVFLILL-ALZGGJCBSA-N 0 0 347.414 5.299 40 30 EKEBRN CCCCCCCCOc1ccc(Oc2ccc(C#N)c(C#N)c2)cc1 ZINC000001852005 564065569 /nfs/dbraw/zinc/06/55/69/564065569.db2.gz KSHWFFBQWRWILJ-UHFFFAOYSA-N 0 0 348.446 5.962 40 30 EKEBRN CCCCCCCOC(=O)NC1c2ccccc2Oc2ccccc21 ZINC000001865410 520062532 /nfs/dbraw/zinc/06/25/32/520062532.db2.gz HGKOCAWXHSHSTA-UHFFFAOYSA-N 0 0 339.435 5.578 40 30 EKEBRN N#CCCC(CCC#N)(CCC#N)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000001867110 563414890 /nfs/dbraw/zinc/41/48/90/563414890.db2.gz NVERBYQOOJLDSO-UHFFFAOYSA-N 0 0 348.233 5.074 40 30 EKEBRN N#C[C@@H](c1ccccc1)[C@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000001872812 209802184 /nfs/dbraw/zinc/80/21/84/209802184.db2.gz RONHPHPSMUFWPP-YADHBBJMSA-N 0 0 325.411 5.351 40 30 EKEBRN N#C[C@@H](c1ccccc1)[C@@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000001872814 563415162 /nfs/dbraw/zinc/41/51/62/563415162.db2.gz RONHPHPSMUFWPP-VXKWHMMOSA-N 0 0 325.411 5.351 40 30 EKEBRN N#C[C@H](c1ccccc1)[C@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000001872815 563415166 /nfs/dbraw/zinc/41/51/66/563415166.db2.gz RONHPHPSMUFWPP-FGZHOGPDSA-N 0 0 325.411 5.351 40 30 EKEBRN N#C[C@H](c1ccccc1)[C@@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000001872818 209801344 /nfs/dbraw/zinc/80/13/44/209801344.db2.gz RONHPHPSMUFWPP-FCHUYYIVSA-N 0 0 325.411 5.351 40 30 EKEBRN CCCCCCCCCCC=Cc1c(C)[nH]c2ccccc2c1=O ZINC000001872976 519978972 /nfs/dbraw/zinc/97/89/72/519978972.db2.gz NYSUEMTXPNTMPW-NTCAYCPXSA-N 0 0 325.496 6.793 40 30 EKEBRN C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccccc1 ZINC000001878924 564003630 /nfs/dbraw/zinc/00/36/30/564003630.db2.gz YRVXLZXCGBCIDL-UHFFFAOYSA-O 0 0 327.860 5.286 40 30 EKEBRN C=CCn1c(-c2ccccc2)csc1=Nc1c(C)cc(C)cc1C ZINC000001923530 564074762 /nfs/dbraw/zinc/07/47/62/564074762.db2.gz JNGGGINWYDRMIW-UHFFFAOYSA-O 0 0 335.496 5.557 40 30 EKEBRN C=CCc1ccccc1OCCSc1nc2ccccc2s1 ZINC000001926962 519145582 /nfs/dbraw/zinc/14/55/82/519145582.db2.gz DPVJSVVIYIMWJJ-UHFFFAOYSA-N 0 0 327.474 5.196 40 30 EKEBRN CCCCCCC(=O)/C=C/c1cc(Cl)cc(Cl)c1OCOC ZINC000002024978 519949467 /nfs/dbraw/zinc/94/94/67/519949467.db2.gz VMTNNDCMNUKHDE-CMDGGOBGSA-N 0 0 345.266 5.529 40 30 EKEBRN N#Cc1cccc(C[C@@](O)(c2ccccc2)c2cccc3ccccc32)c1 ZINC000002028864 564091391 /nfs/dbraw/zinc/09/13/91/564091391.db2.gz WBNGYSIYXSSWEV-RUZDIDTESA-N 0 0 349.433 5.190 40 30 EKEBRN Cc1ccc(/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000002054960 564003662 /nfs/dbraw/zinc/00/36/62/564003662.db2.gz NCDHAYMSBDKDST-SRZZPIQSSA-N 0 0 330.214 6.312 40 30 EKEBRN C=C[C@]1(C)CC[C@H]2[C@H](O1)c1ccccc1O[C@]2(C)CCC=C(C)C ZINC000002097775 209819709 /nfs/dbraw/zinc/81/97/09/209819709.db2.gz LXELBISQABCQRG-BDKRGJGYSA-N 0 0 326.480 5.997 40 30 EKEBRN O=C(/C=C/O/C=C/C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000002146233 527597920 /nfs/dbraw/zinc/59/79/20/527597920.db2.gz ANKYQIIKTOHXQJ-WGDLNXRISA-N 0 0 347.197 5.103 40 30 EKEBRN CN(C)c1ccc(/C=N/c2cccc(C(F)(F)F)c2)c(Cl)c1 ZINC000002166800 522136211 /nfs/dbraw/zinc/13/62/11/522136211.db2.gz PQZQTLXBAITVTJ-UFFVCSGVSA-N 0 0 326.749 5.175 40 30 EKEBRN Clc1cccc(Cl)c1/C=N/N=C/c1c(Cl)cccc1Cl ZINC000002170422 258012756 /nfs/dbraw/zinc/01/27/56/258012756.db2.gz VVYREDLOWZKKFX-OKXCLTPOSA-N 0 0 346.044 5.753 40 30 EKEBRN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccco3)C12 ZINC000002200560 564013300 /nfs/dbraw/zinc/01/33/00/564013300.db2.gz BWNPKMKDYBUTPV-HXUWFJFHSA-N 0 0 331.396 5.146 40 30 EKEBRN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccco3)C12 ZINC000002200562 564013313 /nfs/dbraw/zinc/01/33/13/564013313.db2.gz BWNPKMKDYBUTPV-FQEVSTJZSA-N 0 0 331.396 5.146 40 30 EKEBRN CC(=O)c1cccc(N=CC=C2C=C(c3ccccc3)OC(C)(C)O2)c1 ZINC000002291942 209838018 /nfs/dbraw/zinc/83/80/18/209838018.db2.gz JXYGEADZRMSNEQ-WCEDTRLTSA-N 0 0 347.414 5.299 40 30 EKEBRN O=C(/C=C/Sc1ccc(F)cc1Cl)c1ccc(Cl)cc1 ZINC000002389170 563431274 /nfs/dbraw/zinc/43/12/74/563431274.db2.gz GRXMPAOZYWYRJE-BQYQJAHWSA-N 0 0 327.207 5.621 40 30 EKEBRN CCCCCC1CCC(c2ccc(-c3ccc(C#N)cc3)cc2)CC1 ZINC000002389397 201530614 /nfs/dbraw/zinc/53/06/14/201530614.db2.gz QKEBUASRTJNJJS-UHFFFAOYSA-N 0 0 331.503 7.079 40 30 EKEBRN CCCCCCCCCCCC(=O)Oc1cccc2ccccc21 ZINC000002508003 257911426 /nfs/dbraw/zinc/91/14/26/257911426.db2.gz CJSQRFDKBOSEJH-UHFFFAOYSA-N 0 0 326.480 6.666 40 30 EKEBRN CCc1ccc(C(=O)/C=C/Sc2c(Cl)cccc2Cl)cc1 ZINC000002556089 209866766 /nfs/dbraw/zinc/86/67/66/209866766.db2.gz CUURGHBEFGQMRX-ZHACJKMWSA-N 0 0 337.271 6.045 40 30 EKEBRN O=C(/C=C/Sc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000002557659 564150826 /nfs/dbraw/zinc/15/08/26/564150826.db2.gz XVTCICDLTSFVDX-MDZDMXLPSA-N 0 0 337.213 5.077 40 30 EKEBRN c1ccc(C2(c3ccccc3)OC2(c2ccccc2)c2ccccc2)cc1 ZINC000002564630 518203799 /nfs/dbraw/zinc/20/37/99/518203799.db2.gz VGWMANKEPYEWNK-UHFFFAOYSA-N 0 0 348.445 5.904 40 30 EKEBRN CCCCCCCCc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1 ZINC000002569868 564034445 /nfs/dbraw/zinc/03/44/45/564034445.db2.gz SWACKDWUUGZDRD-UHFFFAOYSA-N 0 0 335.447 5.680 40 30 EKEBRN C=C(C)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000002572000 563997472 /nfs/dbraw/zinc/99/74/72/563997472.db2.gz AYYISYPLHCSQGL-UHFFFAOYSA-N 0 0 334.413 5.435 40 30 EKEBRN CCCCCCc1ccc(C2COC(c3ccc(C#N)cc3)OC2)cc1 ZINC000002572995 564151033 /nfs/dbraw/zinc/15/10/33/564151033.db2.gz FRMQDHFGXIOTFJ-UHFFFAOYSA-N 0 0 349.474 5.510 40 30 EKEBRN CCCCCCCC(=O)Oc1c[nH]c2ccc(Br)cc12 ZINC000002583757 563443199 /nfs/dbraw/zinc/44/31/99/563443199.db2.gz GQMJWOASOGSCSK-UHFFFAOYSA-N 0 0 338.245 5.196 40 30 EKEBRN COc1ccccc1/C(=N\c1ccc(C)cc1)Nc1ccc(C)cc1 ZINC000002597407 564065658 /nfs/dbraw/zinc/06/56/58/564065658.db2.gz FDWQBCFORWJMMC-UHFFFAOYSA-N 0 0 330.431 5.502 40 30 EKEBRN N#Cc1ccc(COc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000002638949 564078688 /nfs/dbraw/zinc/07/86/88/564078688.db2.gz UTLPRWQDUDWDGN-UHFFFAOYSA-N 0 0 342.423 5.414 40 30 EKEBRN C=CCn1c(-c2ccccc2)c(C)s/c1=N\c1ccc(Cl)cc1 ZINC000002676663 564032968 /nfs/dbraw/zinc/03/29/68/564032968.db2.gz HLAYZMZBFOIVOI-VZCXRCSSSA-N 0 0 340.879 5.597 40 30 EKEBRN C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccc(F)cc1 ZINC000002676799 209888481 /nfs/dbraw/zinc/88/84/81/209888481.db2.gz UQUNMLCQMUTRIK-UHFFFAOYSA-O 0 0 345.850 5.425 40 30 EKEBRN C=CCn1c(-c2ccc(C)cc2)cs/c1=N\c1cccc(C)c1C ZINC000002677094 564125033 /nfs/dbraw/zinc/12/50/33/564125033.db2.gz RCDIUKGDWWXQSV-DQRAZIAOSA-N 0 0 334.488 5.560 40 30 EKEBRN C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(C)cc1 ZINC000002677127 564033005 /nfs/dbraw/zinc/03/30/05/564033005.db2.gz RLJXUGDKLALCET-VZCXRCSSSA-N 0 0 340.879 5.597 40 30 EKEBRN C=CCn1c(-c2ccc(C)cc2)csc1=Nc1c(C)cc(C)cc1C ZINC000002677146 564033082 /nfs/dbraw/zinc/03/30/82/564033082.db2.gz HROOVTWJIXXTMC-UHFFFAOYSA-O 0 0 349.523 5.866 40 30 EKEBRN Oc1ccccc1/C=N/c1ccc(-c2ncc(-c3ccccc3)o2)cc1 ZINC000002801600 564065723 /nfs/dbraw/zinc/06/57/23/564065723.db2.gz ZNWDFQWYLRNDNJ-OEAKJJBVSA-N 0 0 340.382 5.465 40 30 EKEBRN CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1 ZINC000002913054 563463095 /nfs/dbraw/zinc/46/30/95/563463095.db2.gz IZCRCDYBYAYEDN-HYARGMPZSA-N 0 0 337.492 5.095 40 30 EKEBRN CCCCCCCCCCCc1nc2c(o1)c1ccccc1[nH]c2=O ZINC000003022482 520017551 /nfs/dbraw/zinc/01/75/51/520017551.db2.gz VXDAYFCASDZKQV-UHFFFAOYSA-N 0 0 340.467 5.743 40 30 EKEBRN CCOc1ccc(Br)cc1/C=N/c1ccc(C)c(C)c1 ZINC000003025318 564078717 /nfs/dbraw/zinc/07/87/17/564078717.db2.gz ZSXHEMWKVHIHPO-YBFXNURJSA-N 0 0 332.241 5.215 40 30 EKEBRN CCCCCCCCCCCc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000003032989 564119102 /nfs/dbraw/zinc/11/91/02/564119102.db2.gz YIJBPYUXIFSTAP-UHFFFAOYSA-N 0 0 333.519 7.299 40 30 EKEBRN O=[N+]([O-])c1ccc(/C=C/C=N/c2cc(-c3ccccc3)ccc2O)cc1 ZINC000003033583 564154542 /nfs/dbraw/zinc/15/45/42/564154542.db2.gz LZYZFIAFFUTSCU-JZILYMMXSA-N 0 0 344.370 5.383 40 30 EKEBRN Oc1ccc(-c2ccccc2)cc1/N=C/c1ccc(Cl)cc1Cl ZINC000003033592 564154524 /nfs/dbraw/zinc/15/45/24/564154524.db2.gz TUZREUGEWADMPZ-WSDLNYQXSA-N 0 0 342.225 6.117 40 30 EKEBRN Fc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1Cl ZINC000003080535 564155055 /nfs/dbraw/zinc/15/50/55/564155055.db2.gz UERLRHHCPLBEMB-YDZHTSKRSA-N 0 0 339.797 5.809 40 30 EKEBRN O=[N+]([O-])c1ccccc1/C=C/C=N/c1ccc2c3c(cccc31)CC2 ZINC000003096870 564155134 /nfs/dbraw/zinc/15/51/34/564155134.db2.gz RFHDAEUBQFWGAY-MWSICOENSA-N 0 0 328.371 5.262 40 30 EKEBRN FC(F)(F)c1cccc(/N=C/c2ccc(Br)cc2)c1 ZINC000003098139 564155133 /nfs/dbraw/zinc/15/51/33/564155133.db2.gz SKAWCHYPNBGNBN-DJKKODMXSA-N 0 0 328.131 5.219 40 30 EKEBRN Oc1ccc2ccccc2c1/C=N/c1nc2ccc(Cl)cc2s1 ZINC000003107655 563912476 /nfs/dbraw/zinc/91/24/76/563912476.db2.gz GAZRXZOKVSCTNY-KEBDBYFISA-N 0 0 338.819 5.559 40 30 EKEBRN O=[N+]([O-])c1ccc(/C=C/C=N/c2ccc3c4c(cccc42)CC3)cc1 ZINC000003114511 209965061 /nfs/dbraw/zinc/96/50/61/209965061.db2.gz DTJVMTKHBFEJFM-FQQHRLMYSA-N 0 0 328.371 5.262 40 30 EKEBRN CSC1=N/C(=N\c2cccc(C)c2)C2(CCCC2)N1c1ccccc1 ZINC000003117827 564005991 /nfs/dbraw/zinc/00/59/91/564005991.db2.gz GVOZUORMLMZIDC-QOCHGBHMSA-N 0 0 349.503 5.577 40 30 EKEBRN CCCCCCCCOC(=O)c1ccc(/N=C/c2ccccc2)cc1 ZINC000003118592 564013596 /nfs/dbraw/zinc/01/35/96/564013596.db2.gz ZXYYIFWDGWQRAR-PTGBLXJZSA-N 0 0 337.463 5.955 40 30 EKEBRN O=C(/C=C/Sc1nc2cc(Cl)ccc2s1)c1ccccc1F ZINC000003120669 527600164 /nfs/dbraw/zinc/60/01/64/527600164.db2.gz MISKUDLKWBXEQU-BQYQJAHWSA-N 0 0 349.839 5.578 40 30 EKEBRN Clc1ccc(/C=N/c2ccc3oc(-c4ccncc4)nc3c2)cc1 ZINC000003127269 209967745 /nfs/dbraw/zinc/96/77/45/209967745.db2.gz KQHREMKVJRCCPA-WSDLNYQXSA-N 0 0 333.778 5.294 40 30 EKEBRN C=CCCCCCCCCC(=O)Nc1ccc(Cl)cc1Cl ZINC000003127767 518699470 /nfs/dbraw/zinc/69/94/70/518699470.db2.gz OFYVUKFZNJBUAX-UHFFFAOYSA-N 0 0 328.283 6.239 40 30 EKEBRN Clc1cc2c(cc1/C=N/c1ccc3c4c(cccc41)CC3)OCO2 ZINC000003136704 564012285 /nfs/dbraw/zinc/01/22/85/564012285.db2.gz WOHMGQXWAXJTQM-LSHDLFTRSA-N 0 0 335.790 5.071 40 30 EKEBRN Oc1ccc(Cl)cc1/C=N/c1ccc(OC(F)(F)C(F)F)cc1 ZINC000003148433 564155512 /nfs/dbraw/zinc/15/55/12/564155512.db2.gz WFPCTJRDDNAPMI-ODCIPOBUSA-N 0 0 347.695 5.033 40 30 EKEBRN Cc1cc(/C=N/c2ccc(N(C)C)cc2)c(C)n1-c1ccc(C)cc1 ZINC000003170395 564026174 /nfs/dbraw/zinc/02/61/74/564026174.db2.gz ONIRSISDTRJYGI-HZHRSRAPSA-N 0 0 331.463 5.219 40 30 EKEBRN CCN(CC)c1ccc(/C=N/c2ccc(C)c(Br)c2)cc1 ZINC000003181523 564155738 /nfs/dbraw/zinc/15/57/38/564155738.db2.gz NENVWZZFJICDLT-DEDYPNTBSA-N 0 0 345.284 5.354 40 30 EKEBRN CCCCCCCCNc1nc(Cl)nc(NC2CCCCC2)n1 ZINC000003182843 520038730 /nfs/dbraw/zinc/03/87/30/520038730.db2.gz IWUZYGXJDGDDJB-UHFFFAOYSA-N 0 0 339.915 5.042 40 30 EKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(C)c(C)c3)c2C)cc1 ZINC000003193031 564026218 /nfs/dbraw/zinc/02/62/18/564026218.db2.gz UMPCLLHCFKLFQT-BUVRLJJBSA-N 0 0 346.474 5.860 40 30 EKEBRN Cc1cc(/C=N/c2ccc(C)c(C)c2)c(C)n1-c1ccc(C)c(C)c1 ZINC000003193045 564026214 /nfs/dbraw/zinc/02/62/14/564026214.db2.gz DJIXHWMIKJGGOZ-ZVHZXABRSA-N 0 0 330.475 6.078 40 30 EKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(C)cc3)c2C)cc1 ZINC000003193096 564026205 /nfs/dbraw/zinc/02/62/05/564026205.db2.gz GSVIRPWIDMFIRJ-HZHRSRAPSA-N 0 0 332.447 5.552 40 30 EKEBRN O=[N+]([O-])c1cc(/C=N/c2ccc(-c3ccccc3)cc2)ccc1Cl ZINC000003197103 564013601 /nfs/dbraw/zinc/01/36/01/564013601.db2.gz DKYJIEODQYYYNZ-FYJGNVAPSA-N 0 0 336.778 5.666 40 30 EKEBRN CCCCCCCCC(=O)c1sc(Cl)c(Cl)c1Cl ZINC000003208096 519975183 /nfs/dbraw/zinc/97/51/83/519975183.db2.gz QRQWEKAKMDGQGD-UHFFFAOYSA-N 0 0 327.704 6.642 40 30 EKEBRN O=[N+]([O-])c1ccccc1CC=CN=Nc1ccc(Cl)c(Cl)c1 ZINC000003228445 564004260 /nfs/dbraw/zinc/00/42/60/564004260.db2.gz KWRAHOINHDVONI-OBQYLLBLSA-N 0 0 336.178 5.013 40 30 EKEBRN CCOC(=O)c1c(/N=C/c2ccccc2)sc(C)c1-c1ccccc1 ZINC000003315208 210004287 /nfs/dbraw/zinc/00/42/87/210004287.db2.gz WTGHJDSQHZXAQY-HYARGMPZSA-N 0 0 349.455 5.651 40 30 EKEBRN C=CCSc1nc2c(c(-c3ccc(Cl)cc3)c1C#N)CCC2 ZINC000003625092 210069301 /nfs/dbraw/zinc/06/93/01/210069301.db2.gz UDFNRUOHXWFDFE-UHFFFAOYSA-N 0 0 326.852 5.040 40 30 EKEBRN C=CCSC1=N[C@@H](c2ccccc2Cl)C=C(c2ccccc2)N1 ZINC000003671415 210073390 /nfs/dbraw/zinc/07/33/90/210073390.db2.gz ZKVQSMOBYYTFQF-GOSISDBHSA-N 0 0 340.879 5.301 40 30 EKEBRN C=CCSC1=N[C@H](c2ccccc2Cl)C=C(c2ccccc2)N1 ZINC000003671416 210072994 /nfs/dbraw/zinc/07/29/94/210072994.db2.gz ZKVQSMOBYYTFQF-SFHVURJKSA-N 0 0 340.879 5.301 40 30 EKEBRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C#N)[C@@]4(C)CC[C@@H]32)C1 ZINC000003881634 210083445 /nfs/dbraw/zinc/08/34/45/210083445.db2.gz QUGXMPWNBWSXCH-LFCPWCDWSA-N 0 0 341.495 5.021 40 30 EKEBRN S[C@@]12CCCC[C@@H]1[C@H](c1ccccc1)C=C(c1ccccc1)S2 ZINC000003893920 564026454 /nfs/dbraw/zinc/02/64/54/564026454.db2.gz NHPGGMMMZYRZIW-QKNQBKEWSA-N 0 0 338.541 6.374 40 30 EKEBRN S[C@@]12CCCC[C@@H]1[C@@H](c1ccccc1)C=C(c1ccccc1)S2 ZINC000003893921 210084905 /nfs/dbraw/zinc/08/49/05/210084905.db2.gz NHPGGMMMZYRZIW-SFHLNBCPSA-N 0 0 338.541 6.374 40 30 EKEBRN c1sc(N=NCc2ccccc2)nc1-c1cccc2ccccc21 ZINC000003896831 201583156 /nfs/dbraw/zinc/58/31/56/201583156.db2.gz CZUIBSKCAICYBI-FYJGNVAPSA-N 0 0 329.428 5.409 40 30 EKEBRN Oc1ccccc1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000003896883 210086394 /nfs/dbraw/zinc/08/63/94/210086394.db2.gz UVJSOJIKXSUZMH-BUVRLJJBSA-N 0 0 331.459 5.611 40 30 EKEBRN O=C(/C=C/c1ccccc1)c1ccc(C(=O)/C=C/c2ccccc2)cc1 ZINC000004011896 527634060 /nfs/dbraw/zinc/63/40/60/527634060.db2.gz YDJKHVQLADEYIK-JYFOCSDGSA-N 0 0 338.406 5.479 40 30 EKEBRN C/C(=C\CC/C(C)=N/O)CC[C@@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C ZINC000004024913 210102004 /nfs/dbraw/zinc/10/20/04/210102004.db2.gz SUIVXLJKUVOXKD-VFOBQYJWSA-N 0 0 345.571 7.142 40 30 EKEBRN C/C(=C\CC/C(C)=N/O)CC[C@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@]12C ZINC000004024915 564026520 /nfs/dbraw/zinc/02/65/20/564026520.db2.gz SUIVXLJKUVOXKD-LGRGXZJXSA-N 0 0 345.571 7.142 40 30 EKEBRN C=C[C@]1(C)CC[C@H]2[C@H](O1)c1ccccc1O[C@@]2(C)CCC=C(C)C ZINC000004025218 210102310 /nfs/dbraw/zinc/10/23/10/210102310.db2.gz LXELBISQABCQRG-PDGJWGCVSA-N 0 0 326.480 5.997 40 30 EKEBRN N#Cc1ccc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1 ZINC000004031936 210105225 /nfs/dbraw/zinc/10/52/25/210105225.db2.gz OWBBXXVGWXLSDP-WCWDXBQESA-N 0 0 326.359 5.226 40 30 EKEBRN Cc1cc(/C=N\c2ccccc2F)c(C)n1-c1ccc(Cl)cc1 ZINC000004054789 210109509 /nfs/dbraw/zinc/10/95/09/210109509.db2.gz DXUPSHWOVYQEMJ-UUYOSTAYSA-N 0 0 326.802 5.637 40 30 EKEBRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C#N)[C@@]4(C)CC[C@@H]32)C1 ZINC000004061908 210110555 /nfs/dbraw/zinc/11/05/55/210110555.db2.gz QUGXMPWNBWSXCH-FAWMDMTCSA-N 0 0 341.495 5.021 40 30 EKEBRN O=C1c2ccccc2NC2(CCCCCC2)N1N=C1CCCCCC1 ZINC000004182611 210141145 /nfs/dbraw/zinc/14/11/45/210141145.db2.gz BPZYTGACLCGROB-UHFFFAOYSA-N 0 0 339.483 5.315 40 30 EKEBRN CC1(C)[C@H]2CC[C@]1(C)C(N=Nc1nc(-c3ccccc3)cs1)C2 ZINC000004192980 210142637 /nfs/dbraw/zinc/14/26/37/210142637.db2.gz LPZRONVVQPPYEV-MFJBJLNASA-N 0 0 325.481 5.424 40 30 EKEBRN CC1(C)[C@@H]2CC[C@@]1(C)C(N=Nc1nc(-c3ccccc3)cs1)C2 ZINC000004192981 210142262 /nfs/dbraw/zinc/14/22/62/210142262.db2.gz LPZRONVVQPPYEV-TYVLUOLNSA-N 0 0 325.481 5.424 40 30 EKEBRN CCC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004217592 210145193 /nfs/dbraw/zinc/14/51/93/210145193.db2.gz LZSOOHLAZHOTHJ-GUCLMQHLSA-N 0 0 330.512 5.050 40 30 in-man EKEBRN Cc1cccc(CS/C(=N/c2ccccc2)Nc2ccccc2)c1 ZINC000004244866 524457751 /nfs/dbraw/zinc/45/77/51/524457751.db2.gz PAUTZCANSSQTJY-UHFFFAOYSA-N 0 0 332.472 6.028 40 30 EKEBRN Brc1cccc2cc(C=NNc3ccccc3)ccc12 ZINC000004266386 210156075 /nfs/dbraw/zinc/15/60/75/210156075.db2.gz CTIGYEJQXCSSSD-XDHOZWIPSA-N 0 0 325.209 5.048 40 30 EKEBRN CCc1cc2c(cc1C(=O)/C=C/c1ccco1)C(C)(C)CCC2(C)C ZINC000004276697 210159430 /nfs/dbraw/zinc/15/94/30/210159430.db2.gz OKDHXUOQHVDJJL-MDZDMXLPSA-N 0 0 336.475 6.087 40 30 EKEBRN COc1ccc(C(=O)/C=C/c2c3ccccc3cc3ccccc32)cc1 ZINC000004277058 210159347 /nfs/dbraw/zinc/15/93/47/210159347.db2.gz DEGUZIIIXRXDKA-CCEZHUSRSA-N 0 0 338.406 5.898 40 30 EKEBRN CC(C)Cc1ccc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1 ZINC000004289070 210162382 /nfs/dbraw/zinc/16/23/82/210162382.db2.gz NCTTXOGDBHGOMM-KPKJPENVSA-N 0 0 332.365 5.800 40 30 EKEBRN N#CN=C(Sc1ccccc1Cl)Sc1ccccc1Cl ZINC000004290441 210162657 /nfs/dbraw/zinc/16/26/57/210162657.db2.gz NBUKONDUDADQOV-UHFFFAOYSA-N 0 0 339.272 5.715 40 30 EKEBRN FC(F)(F)C(F)(F)C(F)(F)c1[nH]nc(-c2ccccc2)c1Cl ZINC000004329288 210171599 /nfs/dbraw/zinc/17/15/99/210171599.db2.gz OGKCAMSFEKHPOJ-UHFFFAOYSA-N 0 0 346.633 5.020 40 30 EKEBRN Clc1ccc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000004357767 201598540 /nfs/dbraw/zinc/59/85/40/201598540.db2.gz MJGUMXDUHFBUQK-LPYMAVHISA-N 0 0 332.790 5.899 40 30 EKEBRN O=C1CCCC2=C1[C@H](c1ccc(F)cc1)Sc1ccccc1N2 ZINC000004384815 210184509 /nfs/dbraw/zinc/18/45/09/210184509.db2.gz WQYORYXKWKGDLZ-IBGZPJMESA-N 0 0 325.408 5.092 40 30 EKEBRN O=C1CCCC2=C1[C@@H](c1ccc(F)cc1)Sc1ccccc1N2 ZINC000004384816 526967056 /nfs/dbraw/zinc/96/70/56/526967056.db2.gz WQYORYXKWKGDLZ-LJQANCHMSA-N 0 0 325.408 5.092 40 30 EKEBRN C(=NNc1cccc2ccccc21)c1c2ccccc2cc2ccccc21 ZINC000004401800 210187421 /nfs/dbraw/zinc/18/74/21/210187421.db2.gz UYXVLQZKAJYNPX-YZSQISJMSA-N 0 0 346.433 6.592 40 30 EKEBRN Clc1ccc(CN/N=C/c2c3ccccc3cc3ccccc32)cc1 ZINC000004402155 210188026 /nfs/dbraw/zinc/18/80/26/210188026.db2.gz IBWFVHDACXIYCS-MFKUBSTISA-N 0 0 344.845 5.770 40 30 EKEBRN CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(COCCC#N)CCC[C@]21C ZINC000004403842 210187194 /nfs/dbraw/zinc/18/71/94/210187194.db2.gz KNDKKHHPKWWADZ-RJGXRXQPSA-N 0 0 339.523 5.751 40 30 EKEBRN CCN(CC)c1ccc(/C=N/c2nc(-c3ccccc3)c(C)s2)cc1 ZINC000004421722 210190789 /nfs/dbraw/zinc/19/07/89/210190789.db2.gz KQXPAXSRAFXCAV-PXLXIMEGSA-N 0 0 349.503 5.715 40 30 EKEBRN Clc1ccccc1/N=C(\Nc1ccccc1Cl)c1ccccc1 ZINC000004474534 210196725 /nfs/dbraw/zinc/19/67/25/210196725.db2.gz LTSXQEXKHABZGG-UHFFFAOYSA-N 0 0 341.241 6.184 40 30 EKEBRN O=C1/C(=C/c2ccccc2)CC[C@H]2[C@@H]1CC[C@H]1c3ccccc3CC[C@H]12 ZINC000004529718 257868216 /nfs/dbraw/zinc/86/82/16/257868216.db2.gz DIYWYRFFWACTFY-PAXSDOCXSA-N 0 0 342.482 5.805 40 30 EKEBRN O=C1/C(=C/c2ccccc2)CC[C@@H]2[C@H]3CCc4ccccc4[C@@H]3CC[C@H]12 ZINC000004529720 564013876 /nfs/dbraw/zinc/01/38/76/564013876.db2.gz DIYWYRFFWACTFY-YKJQRKLWSA-N 0 0 342.482 5.805 40 30 EKEBRN CC1C/C(=C/C=C(Cl)Cl)C(=O)/C(=C\C=C(Cl)Cl)C1 ZINC000004532438 210214873 /nfs/dbraw/zinc/21/48/73/210214873.db2.gz CXFOTIILHCAQPU-ASSCROQFSA-N 0 0 326.050 5.476 40 30 EKEBRN c1ccc2c(c1)cc1ccccc1c2CN=Nc1ncnc2ccccc21 ZINC000004536855 564005238 /nfs/dbraw/zinc/00/52/38/564005238.db2.gz YVWSJOKPMLZWBC-WGARJPEWSA-N 0 0 348.409 5.382 40 30 EKEBRN CCN(CC#N)c1ccc(/N=N/c2cc(Cl)ccc2Cl)cc1 ZINC000004559132 257911360 /nfs/dbraw/zinc/91/13/60/257911360.db2.gz NKIBJAPDPOJTJE-QZQOTICOSA-N 0 0 333.222 5.759 40 30 EKEBRN S=c1sc2c(s1)SCC(N=Nc1ccccc1)CS2 ZINC000004565264 210221679 /nfs/dbraw/zinc/22/16/79/210221679.db2.gz PPPFNZFQWZIXRM-UHFFFAOYSA-N 0 0 342.561 5.205 40 30 EKEBRN Clc1cccc(Cl)c1/C=N/N=C\c1c(Cl)cccc1Cl ZINC000004582710 210226101 /nfs/dbraw/zinc/22/61/01/210226101.db2.gz VVYREDLOWZKKFX-NORIJPHCSA-N 0 0 346.044 5.753 40 30 EKEBRN O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1cccc2ccccc21 ZINC000004582853 210226761 /nfs/dbraw/zinc/22/67/61/210226761.db2.gz YNHRPXVZZIGOJR-PKNBQFBNSA-N 0 0 327.210 6.043 40 30 EKEBRN C/C(=C\CC/C(C)=N/O)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@]21C ZINC000004587568 210228117 /nfs/dbraw/zinc/22/81/17/210228117.db2.gz SUIVXLJKUVOXKD-LYINNBJFSA-N 0 0 345.571 7.142 40 30 EKEBRN C/C(=C\CC/C(C)=N/O)CC[C@@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]12C ZINC000004587569 564005240 /nfs/dbraw/zinc/00/52/40/564005240.db2.gz SUIVXLJKUVOXKD-ULTGGTCUSA-N 0 0 345.571 7.142 40 30 EKEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004683863 563507758 /nfs/dbraw/zinc/50/77/58/563507758.db2.gz MSWUPHPHYAFBLX-QCGOMIHKSA-N 0 0 348.914 5.290 40 30 in-vitro EKEBRN Brc1cccc2c(C=NNc3ccccc3)cccc12 ZINC000004701157 210253862 /nfs/dbraw/zinc/25/38/62/210253862.db2.gz CKTPAHXEVYCZCQ-UNOMPAQXSA-N 0 0 325.209 5.048 40 30 EKEBRN Cc1ccccc1[C@@H]1c2ccc3ncccc3c2NC2=C1C(=O)CCC2 ZINC000004710525 210256635 /nfs/dbraw/zinc/25/66/35/210256635.db2.gz XALVZWXUCMNWHV-OAQYLSRUSA-N 0 0 340.426 5.108 40 30 EKEBRN Cc1ccccc1[C@H]1c2ccc3ncccc3c2NC2=C1C(=O)CCC2 ZINC000004710527 563508526 /nfs/dbraw/zinc/50/85/26/563508526.db2.gz XALVZWXUCMNWHV-NRFANRHFSA-N 0 0 340.426 5.108 40 30 EKEBRN Cc1ccsc1[C@@H]1c2ccc3ncccc3c2NC2=C1C(=O)CCC2 ZINC000004710529 210256178 /nfs/dbraw/zinc/25/61/78/210256178.db2.gz YCCUVPNLORHUTM-GOSISDBHSA-N 0 0 346.455 5.169 40 30 EKEBRN Cc1ccsc1[C@H]1c2ccc3ncccc3c2NC2=C1C(=O)CCC2 ZINC000004710531 210256409 /nfs/dbraw/zinc/25/64/09/210256409.db2.gz YCCUVPNLORHUTM-SFHVURJKSA-N 0 0 346.455 5.169 40 30 EKEBRN CCN1c2c(ccc3ccccc23)S/C1=C\C(=O)c1ccccc1 ZINC000004713941 210256654 /nfs/dbraw/zinc/25/66/54/210256654.db2.gz GQYDZBRCPSLDOG-ZHZULCJRSA-N 0 0 331.440 5.496 40 30 EKEBRN O=C1SC(SCc2ccccc2)=N/C1=C/c1ccc(Cl)cc1 ZINC000004718049 210257500 /nfs/dbraw/zinc/25/75/00/210257500.db2.gz HLFVLGLFUUOHNQ-XNTDXEJSSA-N 0 0 345.876 5.244 40 30 EKEBRN CCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004720688 210259506 /nfs/dbraw/zinc/25/95/06/210259506.db2.gz AZVSIMOMNHTWRV-XUCMERPOSA-N 0 0 328.496 5.114 40 30 EKEBRN O=C(/C(Cl)=C/c1ccc(Cl)cc1)c1cc(Cl)ccc1Cl ZINC000004722931 201614543 /nfs/dbraw/zinc/61/45/43/201614543.db2.gz QPGXKPZDIWGONY-AUWJEWJLSA-N 0 0 346.040 6.109 40 30 EKEBRN C=CCCCCCCCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000004725779 518698391 /nfs/dbraw/zinc/69/83/91/518698391.db2.gz AQWXYCOZTBNAGB-UHFFFAOYSA-N 0 0 330.497 5.354 40 30 EKEBRN CC(C)(C)C1=CC(=Nc2nc3ccccc3[nH]2)C=C(C(C)(C)C)C1=O ZINC000004725942 210261673 /nfs/dbraw/zinc/26/16/73/210261673.db2.gz FJOBVVZFWWHEQC-UHFFFAOYSA-N 0 0 335.451 5.163 40 30 EKEBRN CC1(C)[C@@H]2CC[C@@]1(C)C(N=Nc1nc(-c3cccs3)cs1)C2 ZINC000004746631 210269250 /nfs/dbraw/zinc/26/92/50/210269250.db2.gz ODZLJGDWICDQIS-YHRAQCIHSA-N 0 0 331.510 5.486 40 30 EKEBRN CN(C)c1ccc(/C=C/C(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000004748712 522128769 /nfs/dbraw/zinc/12/87/69/522128769.db2.gz RSRSSXJUSJDRNW-LICLKQGHSA-N 0 0 343.426 5.441 40 30 EKEBRN Clc1ccc(/C=N\OCc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000004769072 210273708 /nfs/dbraw/zinc/27/37/08/210273708.db2.gz UDXQLSHYGDDOTA-GXHLCREISA-N 0 0 349.044 5.851 40 30 EKEBRN Cc1cn(-c2ccccc2)c(C)c1C=NN=c1[nH]c2ccccc2s1 ZINC000004798180 564005254 /nfs/dbraw/zinc/00/52/54/564005254.db2.gz OCEQHUXXEZPXEJ-MTJSOVHGSA-N 0 0 346.459 5.150 40 30 EKEBRN C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004802127 210280307 /nfs/dbraw/zinc/28/03/07/210280307.db2.gz SQRBBVVZRKZEPF-OWNQEUAMSA-N 0 0 340.507 5.130 40 30 in-vitro EKEBRN C(/C=C1/C=C(c2ccccc2)OC2(CCCCC2)O1)=N\c1ccccc1 ZINC000004832630 210290246 /nfs/dbraw/zinc/29/02/46/210290246.db2.gz LAUWUUUPNSQKBZ-WRSPAKRHSA-N 0 0 345.442 6.021 40 30 EKEBRN CCCCC(N=Nc1nc2ccccc2s1)N=Nc1ccccc1 ZINC000004832875 519904279 /nfs/dbraw/zinc/90/42/79/519904279.db2.gz VPFOFYWAIONXGR-QMHWDSPHSA-N 0 0 337.452 5.996 40 30 EKEBRN Cc1ccc(C(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)cc1 ZINC000004849132 563985993 /nfs/dbraw/zinc/98/59/93/563985993.db2.gz UQFQVNYQKMJJCT-UHFFFAOYSA-N 0 0 346.455 5.007 40 30 EKEBRN Cc1ccc(C(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000004853544 526015739 /nfs/dbraw/zinc/01/57/39/526015739.db2.gz ZLBDQULKEYODCW-PKNBQFBNSA-N 0 0 333.343 5.059 40 30 EKEBRN Cn1c2ccccc2c2cc(C(=O)/C=C/c3ccc(Cl)cc3)ccc21 ZINC000004859453 210303206 /nfs/dbraw/zinc/30/32/06/210303206.db2.gz ZBWFCXURFQIAPF-MDWZMJQESA-N 0 0 345.829 5.881 40 30 EKEBRN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC#N)n2)cc1 ZINC000004859626 210305532 /nfs/dbraw/zinc/30/55/32/210305532.db2.gz BTBWCPQNIUMKLI-UHFFFAOYSA-N 0 0 341.439 5.211 40 30 EKEBRN CC(=NNc1ccnc2cc(Cl)ccc21)c1cccc2ccccc21 ZINC000004863583 210305727 /nfs/dbraw/zinc/30/57/27/210305727.db2.gz QMNIAHXKHYFSMO-ZVHZXABRSA-N 0 0 345.833 5.878 40 30 EKEBRN COc1ccc(/C=C/C(=O)c2ccc(Sc3ccccc3)cc2)cc1 ZINC000004866083 523401762 /nfs/dbraw/zinc/40/17/62/523401762.db2.gz NYQYYLPUTPOMIG-CXUHLZMHSA-N 0 0 346.451 5.743 40 30 EKEBRN COc1ccc(/C=C/C(=O)c2ccc3oc4ccccc4c3c2)cc1 ZINC000004866084 564005444 /nfs/dbraw/zinc/00/54/44/564005444.db2.gz XSYCLSCJFVVBHO-XYOKQWHBSA-N 0 0 328.367 5.491 40 30 EKEBRN O=C(/C=C/c1ccc(Cl)cc1)c1ccc2oc3ccccc3c2c1 ZINC000004866085 210307357 /nfs/dbraw/zinc/30/73/57/210307357.db2.gz GWWGFBTZFSDOAM-YRNVUSSQSA-N 0 0 332.786 6.136 40 30 EKEBRN O=C(/C=C/C=C/c1ccccc1)c1ccc(Oc2ccccc2)cc1 ZINC000004866088 527597304 /nfs/dbraw/zinc/59/73/04/527597304.db2.gz IWFHLEDPWQEWLV-HPIZBCMHSA-N 0 0 326.395 5.931 40 30 EKEBRN CCN(Cc1ccccc1)c1ccc(C=[NH+][N-]c2ccc(F)cc2)cc1 ZINC000004867922 521374907 /nfs/dbraw/zinc/37/49/07/521374907.db2.gz HJAQSNWEZIJCDK-LFVJCYFKSA-N 0 0 347.437 5.298 40 30 EKEBRN CC/C(=N\NC(=S)Nc1ccc(C)c(C)c1)c1cccc(Cl)c1 ZINC000004871676 520180230 /nfs/dbraw/zinc/18/02/30/520180230.db2.gz BSJJXGWEPDRSAE-HEHNFIMWSA-N 0 0 345.899 5.058 40 30 EKEBRN CC/C(=N\NC(=S)Nc1ccc(C)cc1C)c1cccc(Cl)c1 ZINC000004871827 210310337 /nfs/dbraw/zinc/31/03/37/210310337.db2.gz XABYYQFRAPNGBB-LTGZKZEYSA-N 0 0 345.899 5.058 40 30 EKEBRN C#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 ZINC000004897011 210314451 /nfs/dbraw/zinc/31/44/51/210314451.db2.gz GJPBKKSNBJBHEI-DTMQFJJTSA-N 0 0 336.466 5.029 40 30 EKEBRN CCCCN(N=C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000004900877 520552513 /nfs/dbraw/zinc/55/25/13/520552513.db2.gz HHZNUFJMIBWBAB-UHFFFAOYSA-N 0 0 328.459 5.746 40 30 EKEBRN CSc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000004903831 210318157 /nfs/dbraw/zinc/31/81/57/210318157.db2.gz NCNFFIJRQVHQLT-UHFFFAOYSA-N 0 0 336.847 5.663 40 30 EKEBRN CCCCCCOc1ccc(C=NNc2ccc(F)cc2F)cc1 ZINC000004923981 520102802 /nfs/dbraw/zinc/10/28/02/520102802.db2.gz WRTYEJPXAQMJGD-HYARGMPZSA-N 0 0 332.394 5.370 40 30 EKEBRN COc1ccc(C=NNc2ccc(C)cc2)cc1OCc1ccccc1 ZINC000004924472 523444813 /nfs/dbraw/zinc/44/48/13/523444813.db2.gz SPMZBJUMBHKZLF-HZHRSRAPSA-N 0 0 346.430 5.029 40 30 EKEBRN Cc1ccc(C)c(CN=Nc2c(Cl)cc(Cl)cc2Cl)c1 ZINC000004925506 526257946 /nfs/dbraw/zinc/25/79/46/526257946.db2.gz GAKVVRDOKUXLKN-UFWORHAWSA-N 0 0 327.642 5.710 40 30 EKEBRN CCCCOc1ccc(C=NNc2ccc(Cl)c(Cl)c2)cc1 ZINC000004927961 520855054 /nfs/dbraw/zinc/85/50/54/520855054.db2.gz JKTGQKJNRMOOHK-UDWIEESQSA-N 0 0 337.250 5.618 40 30 EKEBRN O=C1CCCC2=C1[C@H](c1ccccc1)c1c(ccc3ccccc31)N2 ZINC000004930194 210327782 /nfs/dbraw/zinc/32/77/82/210327782.db2.gz AGKCPUFOQAUKHV-OAQYLSRUSA-N 0 0 325.411 5.404 40 30 EKEBRN O=C1CCCC2=C1[C@@H](c1ccccc1)c1c(ccc3ccccc31)N2 ZINC000004930204 210327598 /nfs/dbraw/zinc/32/75/98/210327598.db2.gz AGKCPUFOQAUKHV-NRFANRHFSA-N 0 0 325.411 5.404 40 30 EKEBRN O=C1CCCC2=C1[C@@H](c1ccc(F)cc1)c1c(ccc3ccccc31)N2 ZINC000004930214 210327710 /nfs/dbraw/zinc/32/77/10/210327710.db2.gz ZWIUXDJIDNSKJP-NRFANRHFSA-N 0 0 343.401 5.543 40 30 EKEBRN O=C1CCCC2=C1[C@H](c1ccc(F)cc1)c1c(ccc3ccccc31)N2 ZINC000004930226 210327570 /nfs/dbraw/zinc/32/75/70/210327570.db2.gz ZWIUXDJIDNSKJP-OAQYLSRUSA-N 0 0 343.401 5.543 40 30 EKEBRN Cc1ccc(-c2c(C#N)cc(-c3ccccc3)n2Cc2ccccc2)cc1 ZINC000004933813 210328656 /nfs/dbraw/zinc/32/86/56/210328656.db2.gz VNEVUQKFCDWTII-UHFFFAOYSA-N 0 0 348.449 6.051 40 30 EKEBRN O=C1/C(=C/c2ccccc2)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2/C1=C/c1ccccc1 ZINC000004934309 210328687 /nfs/dbraw/zinc/32/86/87/210328687.db2.gz RXHFKIIFRXWRMR-BULKISLWSA-N 0 0 326.439 5.399 40 30 EKEBRN Cc1ccc(N2C(=O)ON(c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000004946174 201629536 /nfs/dbraw/zinc/62/95/36/201629536.db2.gz QMWNNXHRCDBXTL-FQEVSTJZSA-N 0 0 330.387 5.072 40 30 EKEBRN CCc1ccc(-c2csc(N=NC(C)c3ccc(C)cc3)n2)cc1 ZINC000004957146 523857016 /nfs/dbraw/zinc/85/70/16/523857016.db2.gz JLXZNODAZVDHEO-PXLXIMEGSA-N 0 0 335.476 5.517 40 30 EKEBRN Cc1ccc(C(C)N=Nc2nc(-c3cc(C)ccc3C)cs2)cc1 ZINC000004957161 518464813 /nfs/dbraw/zinc/46/48/13/518464813.db2.gz AWZXLYHEORPYOG-CJLVFECKSA-N 0 0 335.476 5.571 40 30 EKEBRN CCc1ccc(C(C)N=Nc2nc(-c3cc(C)ccc3C)cs2)cc1 ZINC000004957162 523870617 /nfs/dbraw/zinc/87/06/17/523870617.db2.gz YDFMHQKFOPIJRF-XQNSMLJCSA-N 0 0 349.503 5.825 40 30 EKEBRN CCc1ccc(C(C)N=Nc2nc(-c3ccc(C)cc3C)cs2)cc1 ZINC000004957175 523870359 /nfs/dbraw/zinc/87/03/59/523870359.db2.gz VMWIMQDMVFPLQW-XQNSMLJCSA-N 0 0 349.503 5.825 40 30 EKEBRN O=C(/C(=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1 ZINC000004962098 210340670 /nfs/dbraw/zinc/34/06/70/210340670.db2.gz JTRQEDPFEOMATD-HKWRFOASSA-N 0 0 329.355 5.018 40 30 EKEBRN C=C(C)COc1ccc2c(c1)CC[C@H]1[C@H]3CC[C@@](C)(O)[C@]3(C)CC[C@H]21 ZINC000004963487 210342408 /nfs/dbraw/zinc/34/24/08/210342408.db2.gz WAXZERYFXCBCDH-GNJRFXKQSA-N 0 0 340.507 5.249 40 30 EKEBRN C=C(C)COc1ccc2c(c1)CC[C@@H]1[C@H]3CC[C@@](C)(O)[C@]3(C)CC[C@H]21 ZINC000004963489 210341793 /nfs/dbraw/zinc/34/17/93/210341793.db2.gz WAXZERYFXCBCDH-PFDCGNQRSA-N 0 0 340.507 5.249 40 30 EKEBRN C=C(C)COc1ccc2c(c1)CC[C@H]1[C@H]3CC[C@@](C)(O)[C@]3(C)CC[C@@H]21 ZINC000004963491 210341359 /nfs/dbraw/zinc/34/13/59/210341359.db2.gz WAXZERYFXCBCDH-VJFDXUIRSA-N 0 0 340.507 5.249 40 30 EKEBRN C=C(C)COc1ccc2c(c1)CC[C@@H]1[C@H]3CC[C@@](C)(O)[C@]3(C)CC[C@@H]21 ZINC000004963492 210341629 /nfs/dbraw/zinc/34/16/29/210341629.db2.gz WAXZERYFXCBCDH-LHGONGGSSA-N 0 0 340.507 5.249 40 30 EKEBRN C(=N/c1ccc(-c2csc(-c3cccnc3)n2)cc1)\c1ccccc1 ZINC000004982846 210348304 /nfs/dbraw/zinc/34/83/04/210348304.db2.gz SPZHSRHHCNDMAM-YDZHTSKRSA-N 0 0 341.439 5.623 40 30 EKEBRN Cc1[nH]c2ccccc2c1/C(=C/C(=O)c1ccccc1)c1ccccc1 ZINC000004982864 210348731 /nfs/dbraw/zinc/34/87/31/210348731.db2.gz UQFHORIGEDYRLV-LTGZKZEYSA-N 0 0 337.422 5.791 40 30 EKEBRN O=C1SC(c2ccccc2Cl)=N/C1=C\c1ccc(Cl)cc1 ZINC000005002635 210357279 /nfs/dbraw/zinc/35/72/79/210357279.db2.gz XCPJHERTXAFOQM-ZROIWOOFSA-N 0 0 334.227 5.055 40 30 EKEBRN Oc1ccccc1/C=N/c1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000005003840 210359272 /nfs/dbraw/zinc/35/92/72/210359272.db2.gz FGLYCLMIXYHFPL-WSDLNYQXSA-N 0 0 348.789 5.604 40 30 EKEBRN Cc1ccc(N=NC(N=Nc2ccc(C)cc2)c2ccccc2)cc1 ZINC000005003901 210359171 /nfs/dbraw/zinc/35/91/71/210359171.db2.gz PZISOKZWPDKAKI-WQQFVFIJSA-N 0 0 328.419 5.861 40 30 EKEBRN O=[N+]([O-])c1ccccc1N=NC(N=Nc1ccccc1)c1ccccc1 ZINC000005005014 563518575 /nfs/dbraw/zinc/51/85/75/563518575.db2.gz UDFARLIUDIKECU-UATKBZSTSA-N 0 0 345.362 5.152 40 30 EKEBRN Cc1cc(NN=Cc2ccccc2C(F)(F)F)nc2ccccc12 ZINC000005006867 564005662 /nfs/dbraw/zinc/00/56/62/564005662.db2.gz HVXQAABIBUOHIW-SSDVNMTOSA-N 0 0 329.325 5.008 40 30 EKEBRN Cc1[nH]c2ccccc2c1CN=Nc1cc(C)c2cc(C)ccc2n1 ZINC000005006882 210359582 /nfs/dbraw/zinc/35/95/82/210359582.db2.gz UDINHYWCAQUEFD-WSDLNYQXSA-N 0 0 328.419 5.087 40 30 EKEBRN Cc1[nH]c2ccccc2c1C=NNc1cc(C)c2cccc(C)c2n1 ZINC000005006909 210359085 /nfs/dbraw/zinc/35/90/85/210359085.db2.gz SXGQZSYKRHKBII-WSDLNYQXSA-N 0 0 328.419 5.087 40 30 EKEBRN COc1ccc2ccccc2c1C=NNc1cc(C)nc2ccccc21 ZINC000005006930 210358731 /nfs/dbraw/zinc/35/87/31/210358731.db2.gz WNWNIYUYDUSSST-OEAKJJBVSA-N 0 0 341.414 5.151 40 30 EKEBRN Cc1cc(NN=Cc2ccc(Cl)c(Cl)c2)c2ccccc2n1 ZINC000005006936 210358776 /nfs/dbraw/zinc/35/87/76/210358776.db2.gz CNCCRQZATQHXBT-KEBDBYFISA-N 0 0 330.218 5.296 40 30 EKEBRN O=[N+]([O-])c1ccccc1C=NNc1c(Cl)cc(Cl)cc1Cl ZINC000005023424 210365633 /nfs/dbraw/zinc/36/56/33/210365633.db2.gz AEBCDVXETPAZAZ-REZTVBANSA-N 0 0 344.585 5.001 40 30 EKEBRN COc1ccccc1N=NC(N=Nc1ccccc1)c1ccccc1 ZINC000005027262 524533796 /nfs/dbraw/zinc/53/37/96/524533796.db2.gz OJSNHVBHWDCCBP-VRUPRMQOSA-N 0 0 330.391 5.253 40 30 EKEBRN CCCCCCC(/C=N/N=C\c1ccccc1O)=C/c1ccccc1 ZINC000005030462 210366611 /nfs/dbraw/zinc/36/66/11/210366611.db2.gz UJUCPIUMNCWTEH-POVNFZEGSA-N 0 0 334.463 5.851 40 30 EKEBRN C/C(=C/C(=N\N=C/c1ccccc1O)c1ccccc1)c1ccccc1 ZINC000005030473 210367211 /nfs/dbraw/zinc/36/72/11/210367211.db2.gz KGFIXCIEGNPCNP-LZAYRFJISA-N 0 0 340.426 5.319 40 30 EKEBRN C(=N\N=C1c2ccccc2-c2ccccc21)\c1cccc2ccccc12 ZINC000005031751 210368594 /nfs/dbraw/zinc/36/85/94/210368594.db2.gz YNEZTEXFPYQEBK-XYGWBWBKSA-N 0 0 332.406 5.692 40 30 EKEBRN CC1(C)C/C(=C\c2cccc(Br)c2)C(=O)c2ccccc21 ZINC000005105220 257911441 /nfs/dbraw/zinc/91/14/41/257911441.db2.gz AOFSBFOPRGMIMO-GXDHUFHOSA-N 0 0 341.248 5.397 40 30 EKEBRN C=C(C)C(=O)OCCCCCCCCCCCCOC(=O)C(=C)C ZINC000005158187 564070553 /nfs/dbraw/zinc/07/05/53/564070553.db2.gz HYQASEVIBPSPMK-UHFFFAOYSA-N 0 0 338.488 5.126 40 30 EKEBRN Clc1ccc(/C=N/N=C\c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000005159590 563521691 /nfs/dbraw/zinc/52/16/91/563521691.db2.gz YBSMZQHLLSYRAG-NORIJPHCSA-N 0 0 346.044 5.753 40 30 EKEBRN C=CCCCCCCCCCNc1cc2c3c(c1)CCCN3CCC2 ZINC000005160601 564070554 /nfs/dbraw/zinc/07/05/54/564070554.db2.gz PKWOBGQCQVIFTJ-UHFFFAOYSA-N 0 0 340.555 6.104 40 30 EKEBRN Cc1ccc(C(=O)/C=C(\C(=O)c2ccccc2)c2ccccc2)cc1C ZINC000005188509 563522468 /nfs/dbraw/zinc/52/24/68/563522468.db2.gz HVHMRTQSZJQKOB-JWGURIENSA-N 0 0 340.422 5.453 40 30 EKEBRN CC(C)c1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000005189579 563522419 /nfs/dbraw/zinc/52/24/19/563522419.db2.gz KQBJJRUFRDATKY-LICLKQGHSA-N 0 0 326.439 6.373 40 30 EKEBRN Cc1ccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000005214065 210415886 /nfs/dbraw/zinc/41/58/86/210415886.db2.gz VRNAMTYSSIYURH-ZRDIBKRKSA-N 0 0 333.343 5.059 40 30 EKEBRN CC(C)(C)c1ccc(-c2nnc(SCc3ccc(C#N)cc3)o2)cc1 ZINC000005219651 564125666 /nfs/dbraw/zinc/12/56/66/564125666.db2.gz NILNQZZWPIQVSW-UHFFFAOYSA-N 0 0 349.459 5.198 40 30 EKEBRN S=C(N=NCc1cccc(Oc2ccccc2)c1)Nc1ccccc1 ZINC000005237132 563524013 /nfs/dbraw/zinc/52/40/13/563524013.db2.gz RVDXHSQHRRYPJR-QNGOZBTKSA-N 0 0 347.443 5.211 40 30 EKEBRN CC(=O)Nc1ccc(N[C@@H]2CCCCCCCCCC/C2=N\O)cc1 ZINC000005260783 563524478 /nfs/dbraw/zinc/52/44/78/563524478.db2.gz WUQHZSFCJDEOPZ-VKQKAZQBSA-N 0 0 345.487 5.170 40 30 EKEBRN CC(=O)Nc1ccc(N[C@H]2CCCCCCCCCC/C2=N\O)cc1 ZINC000005260786 563524804 /nfs/dbraw/zinc/52/48/04/563524804.db2.gz WUQHZSFCJDEOPZ-YFJJEWJYSA-N 0 0 345.487 5.170 40 30 EKEBRN CSc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 ZINC000005275139 564013964 /nfs/dbraw/zinc/01/39/64/564013964.db2.gz CGRHEADOHHMQAF-NYYWCZLTSA-N 0 0 333.250 5.067 40 30 EKEBRN O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1 ZINC000005280543 563525263 /nfs/dbraw/zinc/52/52/63/563525263.db2.gz ZTDSULGAVOXOLC-UXBLZVDNSA-N 0 0 327.210 6.043 40 30 EKEBRN CC(C)(C)c1ccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000005293207 564093209 /nfs/dbraw/zinc/09/32/09/564093209.db2.gz FIPGJPBKBWODTF-YRNVUSSQSA-N 0 0 333.258 6.187 40 30 biogenic,in-vitro EKEBRN CCN(CC)c1ccc(/C=N/c2cccc3ccccc32)c(OC)c1 ZINC000005311727 563525972 /nfs/dbraw/zinc/52/59/72/563525972.db2.gz ITQGKEMSYCHXNU-XQNSMLJCSA-N 0 0 332.447 5.445 40 30 EKEBRN CCOc1cc(N(CC)CC)ccc1/C=N/c1cc(Cl)ccc1O ZINC000005311736 563526041 /nfs/dbraw/zinc/52/60/41/563526041.db2.gz SNVCXIIRPDZWCT-FYJGNVAPSA-N 0 0 346.858 5.041 40 30 EKEBRN CN(C)c1ccc(/C=N/c2c3ccccc3nc3ccccc32)cc1 ZINC000005319343 564031969 /nfs/dbraw/zinc/03/19/69/564031969.db2.gz AGQPHDFXCPBTEV-HZHRSRAPSA-N 0 0 325.415 5.205 40 30 EKEBRN CC(C)c1ccc(/C=C\C(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000005328103 564072819 /nfs/dbraw/zinc/07/28/19/564072819.db2.gz KQBJJRUFRDATKY-YVLHZVERSA-N 0 0 326.439 6.373 40 30 EKEBRN O=C(/C=C/c1ccc(Cl)c(Cl)c1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000005328109 563526826 /nfs/dbraw/zinc/52/68/26/563526826.db2.gz RJGYJZHKLBNGTH-VZRDRIGRSA-N 0 0 337.290 6.182 40 30 EKEBRN O=C(/C=C/c1ccc(Cl)c(Cl)c1)[C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000005328110 210439340 /nfs/dbraw/zinc/43/93/40/210439340.db2.gz RJGYJZHKLBNGTH-GFZUDYDFSA-N 0 0 337.290 6.182 40 30 EKEBRN CCOc1ccc(/N=C/C2=C3N(CCC2)c2ccccc2C3(C)C)cc1 ZINC000005332874 563527245 /nfs/dbraw/zinc/52/72/45/563527245.db2.gz OYKRZHDYDUWJAV-LFVJCYFKSA-N 0 0 346.474 5.633 40 30 EKEBRN Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(C)cc1 ZINC000005337641 564013994 /nfs/dbraw/zinc/01/39/94/564013994.db2.gz OKACNEMNRGRJHH-FYJGNVAPSA-N 0 0 333.391 5.061 40 30 EKEBRN Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2C)c(C)n1-c1ccc(C)cc1 ZINC000005337642 564125651 /nfs/dbraw/zinc/12/56/51/564125651.db2.gz VQXSMHYZGDMYIL-LPYMAVHISA-N 0 0 347.418 5.370 40 30 EKEBRN C=CCS/C(=N\C#N)S/C=C/C(=O)c1cccc2ccccc21 ZINC000005382811 563530459 /nfs/dbraw/zinc/53/04/59/563530459.db2.gz FKHSYCDKTGFFIC-QPFNBDDSSA-N 0 0 338.457 5.026 40 30 EKEBRN O/N=C1\CCCCCC[C@H]1n1c2ccccc2nc1-c1ccccc1 ZINC000005387640 563530642 /nfs/dbraw/zinc/53/06/42/563530642.db2.gz SCUNUHXLWNMLNS-SXKRPYPPSA-N 0 0 333.435 5.429 40 30 EKEBRN O/N=C1\CCCCCC[C@@H]1n1c2ccccc2nc1-c1ccccc1 ZINC000005387641 563530577 /nfs/dbraw/zinc/53/05/77/563530577.db2.gz SCUNUHXLWNMLNS-KNOQIOAQSA-N 0 0 333.435 5.429 40 30 EKEBRN Oc1ccc2ccccc2c1/C=N/c1c2ccccc2nc2ccccc21 ZINC000005391074 564032089 /nfs/dbraw/zinc/03/20/89/564032089.db2.gz ULBIGKMEHNZPJG-MFKUBSTISA-N 0 0 348.405 5.997 40 30 EKEBRN O=C1C(c2ccccc2)=C(c2ccccc2)/C1=C/c1ccc(Cl)cc1 ZINC000005395809 563531210 /nfs/dbraw/zinc/53/12/10/563531210.db2.gz AAEPUKIGVYAVDF-HKWRFOASSA-N 0 0 342.825 5.917 40 30 EKEBRN C/C(=N/N=C(/C)c1ccc2ccccc2c1)c1ccc2ccccc2c1 ZINC000005412026 563531518 /nfs/dbraw/zinc/53/15/18/563531518.db2.gz IORKPAAAIQLYFG-MFYXSQMNSA-N 0 0 336.438 6.226 40 30 EKEBRN CCCCCCOc1ccc(OCCCCCC)c(/C(C)=N/O)c1 ZINC000005418178 563532003 /nfs/dbraw/zinc/53/20/03/563532003.db2.gz XIUOJIKSYYAEDH-HEHNFIMWSA-N 0 0 335.488 5.803 40 30 EKEBRN Cc1cccc(/C=N/c2cccc(-c3nc4ccccc4s3)c2)c1O ZINC000005419570 563531954 /nfs/dbraw/zinc/53/19/54/563531954.db2.gz LFVWOVFEAMLNOP-LPYMAVHISA-N 0 0 344.439 5.728 40 30 EKEBRN Clc1scc(NN=Cc2ccccn2)c1-c1ccc(Cl)cc1 ZINC000005444425 564032309 /nfs/dbraw/zinc/03/23/09/564032309.db2.gz DMWNKOBFZCNDEQ-AWQFTUOYSA-N 0 0 348.258 5.563 40 30 EKEBRN CC/C(=N/N=C(/CC)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000005459102 563533088 /nfs/dbraw/zinc/53/30/88/563533088.db2.gz QUCRXQATTOMCFW-SVJWQLCWSA-N 0 0 333.262 6.007 40 30 EKEBRN CCCCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000005459641 564004243 /nfs/dbraw/zinc/00/42/43/564004243.db2.gz HLJIHNNLYULABJ-CYBMUJFWSA-N 0 0 332.513 5.290 40 30 EKEBRN CCCCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000005459719 564014045 /nfs/dbraw/zinc/01/40/45/564014045.db2.gz HLJIHNNLYULABJ-ZDUSSCGKSA-N 0 0 332.513 5.290 40 30 EKEBRN COc1ccc(C(C)=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)cc1 ZINC000005464582 563533671 /nfs/dbraw/zinc/53/36/71/563533671.db2.gz SSVUNLJDADFVRJ-UHFFFAOYSA-N 0 0 338.491 5.996 40 30 EKEBRN O=[N+]([O-])c1cccc(C(N=Nc2ccccc2)=NNc2ccccc2)c1 ZINC000005483153 527385047 /nfs/dbraw/zinc/38/50/47/527385047.db2.gz NCADWOGGKQAVNM-YMGPPEANSA-N 0 0 345.362 5.152 40 30 EKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@H]2c1ccccc1 ZINC000005485038 563534730 /nfs/dbraw/zinc/53/47/30/563534730.db2.gz CPSIOMMKTXWBEV-FQEVSTJZSA-N 0 0 335.472 5.589 40 30 EKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@@H]2c1ccccc1 ZINC000005485044 563534657 /nfs/dbraw/zinc/53/46/57/563534657.db2.gz CPSIOMMKTXWBEV-HXUWFJFHSA-N 0 0 335.472 5.589 40 30 EKEBRN CCC(=NNc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000005504645 564032493 /nfs/dbraw/zinc/03/24/93/564032493.db2.gz HAZUCLVSMICJDI-XDJHFCHBSA-N 0 0 338.194 5.128 40 30 EKEBRN C[C@@H]1CC(N=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC(C)(C)C1 ZINC000005505515 210477188 /nfs/dbraw/zinc/47/71/88/210477188.db2.gz LRQLZZCNRGVQPM-DSNOEGRGSA-N 0 0 343.349 5.228 40 30 EKEBRN C[C@H]1CC(N=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC(C)(C)C1 ZINC000005505516 564032506 /nfs/dbraw/zinc/03/25/06/564032506.db2.gz LRQLZZCNRGVQPM-WBWSGGQMSA-N 0 0 343.349 5.228 40 30 EKEBRN O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000005511531 564066162 /nfs/dbraw/zinc/06/61/62/564066162.db2.gz GLTVNVIHTHMZTN-QHHAFSJGSA-N 0 0 346.040 6.196 40 30 EKEBRN COc1ccc(/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000005513513 564014075 /nfs/dbraw/zinc/01/40/75/564014075.db2.gz FWGKDAUTYHIHHQ-HZHRSRAPSA-N 0 0 347.414 5.033 40 30 EKEBRN O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCCO2 ZINC000005514229 563536102 /nfs/dbraw/zinc/53/61/02/563536102.db2.gz WCGODHROQSBCER-ZZXKWVIFSA-N 0 0 349.213 5.051 40 30 EKEBRN COc1ccccc1CN=Nc1c(Cl)cc(Cl)cc1Cl ZINC000005514979 563536192 /nfs/dbraw/zinc/53/61/92/563536192.db2.gz ANKANXCZYLLEAY-QGMBQPNBSA-N 0 0 329.614 5.101 40 30 EKEBRN c1ccc2sc(N=NC3CCCCCCCCCCC3)nc2c1 ZINC000005519587 563536487 /nfs/dbraw/zinc/53/64/87/563536487.db2.gz ILACOCQOVLXEPO-UHFFFAOYSA-N 0 0 329.513 6.369 40 30 EKEBRN CC/C(=N\OC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1O ZINC000005523078 564070296 /nfs/dbraw/zinc/07/02/96/564070296.db2.gz GNSCNLFELWNPIU-BSYVCWPDSA-N 0 0 345.398 5.030 40 30 EKEBRN COc1ccc(/N=C2\CSc3sc(=S)sc3S2)cc1 ZINC000005526863 563537335 /nfs/dbraw/zinc/53/73/35/563537335.db2.gz MQMDXRXTPRHJDB-UKTHLTGXSA-N 0 0 343.545 5.476 40 30 EKEBRN Cc1[nH]c(=S)c(C#N)c(C)c1/N=N/c1cc(Cl)ccc1Cl ZINC000005530773 210481845 /nfs/dbraw/zinc/48/18/45/210481845.db2.gz CQFTTZWDKVIPPM-FMQUCBEESA-N 0 0 337.235 5.955 40 30 EKEBRN Cc1ccc(/N=C2\NC(=O)/C(=C/c3cccc4ccccc34)S2)cc1 ZINC000005531887 564014084 /nfs/dbraw/zinc/01/40/84/564014084.db2.gz AHQOCUGXGYXCKG-UYRXBGFRSA-N 0 0 344.439 5.040 40 30 EKEBRN Cc1ccc(/N=C2\CSc3sc(=S)sc3S2)cc1 ZINC000005540157 210484913 /nfs/dbraw/zinc/48/49/13/210484913.db2.gz JZWKFDPVSBBPOT-UKTHLTGXSA-N 0 0 327.546 5.776 40 30 EKEBRN Cc1cc(O)ccc1/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000005540206 563538159 /nfs/dbraw/zinc/53/81/59/563538159.db2.gz JAUWYJOTKVEQBD-YDZHTSKRSA-N 0 0 339.479 5.752 40 30 EKEBRN COc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1ccccc1 ZINC000005541935 564125704 /nfs/dbraw/zinc/12/57/04/564125704.db2.gz AWLPBZOQKHORAK-BUVRLJJBSA-N 0 0 345.442 5.642 40 30 EKEBRN COc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1ccccc1 ZINC000005542266 564014087 /nfs/dbraw/zinc/01/40/87/564014087.db2.gz XVPRTBUHFUOHRT-BUVRLJJBSA-N 0 0 345.442 5.642 40 30 EKEBRN COc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccccc1 ZINC000005543286 564125705 /nfs/dbraw/zinc/12/57/05/564125705.db2.gz RXESDYUESHPCOZ-HZHRSRAPSA-N 0 0 331.415 5.333 40 30 EKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccccc1 ZINC000005546602 564014117 /nfs/dbraw/zinc/01/41/17/564014117.db2.gz OOZCPRVGCADIPV-BUVRLJJBSA-N 0 0 345.442 5.642 40 30 EKEBRN Cc1cccc(C(=O)Nc2ccc(/N=C/c3cccc(C)c3O)cc2)c1 ZINC000005547993 563538366 /nfs/dbraw/zinc/53/83/66/563538366.db2.gz DPBNAUHTMDOXHK-OEAKJJBVSA-N 0 0 344.414 5.012 40 30 EKEBRN COc1cc(/C=N/c2ccccc2C)ccc1OCc1ccccc1 ZINC000005548995 563991758 /nfs/dbraw/zinc/99/17/58/563991758.db2.gz ZDANXYDKSZRQPK-HZHRSRAPSA-N 0 0 331.415 5.333 40 30 EKEBRN CN(C)c1ccc(/C=C(\C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000005549571 563538393 /nfs/dbraw/zinc/53/83/93/563538393.db2.gz FNRJKIYQOOHDAN-XLNRJJMWSA-N 0 0 327.427 5.176 40 30 EKEBRN CCc1ccccc1/N=C1/NC(=O)/C(=C/C(C)=C/c2ccccc2)S1 ZINC000005551444 563538899 /nfs/dbraw/zinc/53/88/99/563538899.db2.gz ZKKJBSSRJNLFHL-FQHLDWHWSA-N 0 0 348.471 5.087 40 30 EKEBRN CCc1ccc(/N=C2/NC(=O)/C(=C/C(C)=C/c3ccccc3)S2)cc1 ZINC000005551445 563538853 /nfs/dbraw/zinc/53/88/53/563538853.db2.gz FEIIVAQWXHLBES-FQHLDWHWSA-N 0 0 348.471 5.087 40 30 EKEBRN Cc1ccccc1/N=C1/NC(=O)/C(=C\c2cccc3ccccc23)S1 ZINC000005551485 563538861 /nfs/dbraw/zinc/53/88/61/563538861.db2.gz QGYRZNHGFXZYLI-CPNJWEJPSA-N 0 0 344.439 5.040 40 30 EKEBRN CCCC/N=C1\S/C(=C\c2ccc(CC)cc2)C(=O)N1CCCC ZINC000005552262 563539201 /nfs/dbraw/zinc/53/92/01/563539201.db2.gz VKIVVSJGLLIRCI-SMNQVOTKSA-N 0 0 344.524 5.122 40 30 EKEBRN Cc1cc(C)c(NC(=S)NC(=O)c2cccc3ccccc32)c(C)c1 ZINC000005552488 563539150 /nfs/dbraw/zinc/53/91/50/563539150.db2.gz ZNLPYEUJOGJLJV-UHFFFAOYSA-N 0 0 348.471 5.303 40 30 EKEBRN COc1ccc2c(C)cc(NN=Cc3cccc4ccccc34)nc2c1 ZINC000005552763 210488067 /nfs/dbraw/zinc/48/80/67/210488067.db2.gz GVRRAPUTANBYSC-OEAKJJBVSA-N 0 0 341.414 5.151 40 30 EKEBRN Cc1ccc(NC(=S)N[C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000005553165 563539195 /nfs/dbraw/zinc/53/91/95/563539195.db2.gz UKGHNQDETUXFIM-NRFANRHFSA-N 0 0 346.499 5.677 40 30 EKEBRN Cc1ccc(NC(=S)N[C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000005553167 210488367 /nfs/dbraw/zinc/48/83/67/210488367.db2.gz UKGHNQDETUXFIM-OAQYLSRUSA-N 0 0 346.499 5.677 40 30 EKEBRN N#Cc1c(=S)[nH]c(-c2cccc(Cl)c2)cc1-c1cccs1 ZINC000005568791 564005541 /nfs/dbraw/zinc/00/55/41/564005541.db2.gz AYFGHBUOMXPOMG-UHFFFAOYSA-N 0 0 328.849 5.665 40 30 EKEBRN CCn1c(C)c(C=NN=c2[nH]c3ccccc3s2)c2ccccc21 ZINC000005569459 564032754 /nfs/dbraw/zinc/03/27/54/564032754.db2.gz CRGFTAFCLJXINH-UDWIEESQSA-N 0 0 334.448 5.025 40 30 EKEBRN Cc1cc(C=NNc2ccc3ccccc3c2)c(C)n1CC(F)(F)F ZINC000005576611 564032699 /nfs/dbraw/zinc/03/26/99/564032699.db2.gz MWLFDYVIHRIAAD-FOKLQQMPSA-N 0 0 345.368 5.266 40 30 EKEBRN C=CCn1c(-c2ccccc2)c(C)sc1=Nc1ccc(Cl)cc1 ZINC000005578507 210495035 /nfs/dbraw/zinc/49/50/35/210495035.db2.gz HLAYZMZBFOIVOI-UHFFFAOYSA-O 0 0 341.887 5.594 40 30 EKEBRN N#C[C@H](Nc1cccc(C(F)(F)F)c1)c1ccccc1C(F)(F)F ZINC000005581714 210495196 /nfs/dbraw/zinc/49/51/96/210495196.db2.gz NSTPNFTWKQYQIY-AWEZNQCLSA-N 0 0 344.258 5.401 40 30 EKEBRN CN(CCC#N)c1ccc(/C=N/c2ccc(Cl)cc2Cl)cc1 ZINC000005586519 563541452 /nfs/dbraw/zinc/54/14/52/563541452.db2.gz JTGDUJVLGXPDIZ-CIAFOILYSA-N 0 0 332.234 5.094 40 30 EKEBRN Cc1ccccc1N=C(Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000005589906 563541464 /nfs/dbraw/zinc/54/14/64/563541464.db2.gz JEXTWBWEPBMPPN-UHFFFAOYSA-N 0 0 331.375 5.094 40 30 EKEBRN FC(F)(F)c1cccc(NN=Cc2ccc(Cl)cc2Cl)c1 ZINC000005600110 564006118 /nfs/dbraw/zinc/00/61/18/564006118.db2.gz HECXCFGOQZFKCF-DNTJNYDQSA-N 0 0 333.140 5.458 40 30 EKEBRN C=C(C)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000005601339 564070605 /nfs/dbraw/zinc/07/06/05/564070605.db2.gz RDDYHYGKXUBYPP-UHFFFAOYSA-N 0 0 328.455 5.961 40 30 EKEBRN CC(=O)/C(=C/c1ccc(-c2ccccc2)cc1)C(=O)c1ccccc1 ZINC000005601729 563542239 /nfs/dbraw/zinc/54/22/39/563542239.db2.gz NPMHKEMZUVOLJB-JWGURIENSA-N 0 0 326.395 5.209 40 30 EKEBRN S=C(N/N=C\c1c2ccccc2cc2ccccc21)c1ccccc1 ZINC000005602272 563542224 /nfs/dbraw/zinc/54/22/24/563542224.db2.gz GCBOADHXGFAGNR-HAHDFKILSA-N 0 0 340.451 5.292 40 30 EKEBRN S=c1sc2c(s1)S/C(=N/Nc1ccccc1)CS2 ZINC000005603802 563542213 /nfs/dbraw/zinc/54/22/13/563542213.db2.gz NUQWSSCQAVDBSP-MDWZMJQESA-N 0 0 328.534 5.162 40 30 EKEBRN Clc1cc(Cl)c(N=NCc2cccc3ccccc32)c(Cl)c1 ZINC000005604978 563542531 /nfs/dbraw/zinc/54/25/31/563542531.db2.gz NUGXHISMOPQNKH-UFFVCSGVSA-N 0 0 349.648 6.246 40 30 EKEBRN Oc1ccccc1CN=Nc1nc(-c2cccc3ccccc32)cs1 ZINC000005605030 526370691 /nfs/dbraw/zinc/37/06/91/526370691.db2.gz BNEXILVEYXFKIN-CIAFOILYSA-N 0 0 345.427 5.115 40 30 EKEBRN O/N=C1\CC/C=C/CC/C=C/CC[C@H]1Sc1nc2ccccc2o1 ZINC000005605050 563542555 /nfs/dbraw/zinc/54/25/55/563542555.db2.gz ACJPZAMGGKYCCY-YVLLMWTCSA-N 0 0 342.464 5.585 40 30 EKEBRN O/N=C1\CC/C=C/CC/C=C/CC[C@@H]1Sc1nc2ccccc2o1 ZINC000005605053 563542580 /nfs/dbraw/zinc/54/25/80/563542580.db2.gz ACJPZAMGGKYCCY-DKOMLNGNSA-N 0 0 342.464 5.585 40 30 EKEBRN Cc1cc(/C=N/c2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000005612907 563542993 /nfs/dbraw/zinc/54/29/93/563542993.db2.gz PKTICZBOMLQBIT-WSDLNYQXSA-N 0 0 326.802 5.637 40 30 EKEBRN COc1ccc(/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 ZINC000005612935 563542892 /nfs/dbraw/zinc/54/28/92/563542892.db2.gz MTTFJZOVIPEJRC-XKZIYDEJSA-N 0 0 338.838 5.507 40 30 EKEBRN Cc1ccc([N-][NH+]=Cc2ccc(N(C)c3ccccc3)cc2)cc1Cl ZINC000005614486 524915321 /nfs/dbraw/zinc/91/53/21/524915321.db2.gz AUWLOSWLNYHRNH-HZHRSRAPSA-N 0 0 349.865 5.862 40 30 EKEBRN CCCCCc1ccc(C(=O)N2C=Cc3ccccc3[C@@H]2C#N)cc1 ZINC000005614845 563542930 /nfs/dbraw/zinc/54/29/30/563542930.db2.gz OUKIPYQZBNPCSJ-NRFANRHFSA-N 0 0 330.431 5.111 40 30 EKEBRN CCCCCc1ccc(C(=O)N2C=Cc3ccccc3[C@H]2C#N)cc1 ZINC000005614849 563542945 /nfs/dbraw/zinc/54/29/45/563542945.db2.gz OUKIPYQZBNPCSJ-OAQYLSRUSA-N 0 0 330.431 5.111 40 30 EKEBRN COc1ccc(C(=O)/C=C\c2ccc(OCc3ccccc3)cc2)cc1 ZINC000005649198 523544818 /nfs/dbraw/zinc/54/48/18/523544818.db2.gz TWYBNKWJRLRNCS-SXGWCWSVSA-N 0 0 344.410 5.170 40 30 EKEBRN Cc1cccc(C(=O)/C=C\c2ccc(OCc3ccccc3)cc2)c1 ZINC000005649201 524160488 /nfs/dbraw/zinc/16/04/88/524160488.db2.gz HEIHUWPIGPZJLL-QINSGFPZSA-N 0 0 328.411 5.470 40 30 EKEBRN O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1ccccc1F ZINC000005649205 527656214 /nfs/dbraw/zinc/65/62/14/527656214.db2.gz VSKVGQGUCVBJKJ-QINSGFPZSA-N 0 0 332.374 5.301 40 30 EKEBRN O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1cccc(F)c1 ZINC000005649207 527655856 /nfs/dbraw/zinc/65/58/56/527655856.db2.gz PYMUSXAHUXOKGH-KAMYIIQDSA-N 0 0 332.374 5.301 40 30 EKEBRN O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1cccc(Cl)c1 ZINC000005649226 527655600 /nfs/dbraw/zinc/65/56/00/527655600.db2.gz PVZWZWTWHPQAQC-KAMYIIQDSA-N 0 0 348.829 5.815 40 30 EKEBRN O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1ccccc1Cl ZINC000005649227 210508824 /nfs/dbraw/zinc/50/88/24/210508824.db2.gz CIYWUXAMRRNGJG-QINSGFPZSA-N 0 0 348.829 5.815 40 30 EKEBRN C=CCc1cc(C=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000005651998 210510111 /nfs/dbraw/zinc/51/01/11/210510111.db2.gz WEYIUFOMOKGIIR-UHFFFAOYSA-N 0 0 346.426 5.359 40 30 EKEBRN C/C=C\C=N/SC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000005662765 563544049 /nfs/dbraw/zinc/54/40/49/563544049.db2.gz SRXVDPUCEILPPO-BAZMDBSESA-N 0 0 343.495 6.274 40 30 EKEBRN O=C(Nc1c(Cl)cc(Cl)cc1Cl)ON=C1CCCCC1 ZINC000005662803 563544002 /nfs/dbraw/zinc/54/40/02/563544002.db2.gz LPWJAUGXJQHYCZ-UHFFFAOYSA-N 0 0 335.618 5.515 40 30 EKEBRN O=C(/C=C\c1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005664999 563544457 /nfs/dbraw/zinc/54/44/57/563544457.db2.gz PTMVSVXGAAECBG-UUASQNMZSA-N 0 0 329.355 5.158 40 30 EKEBRN CC[C@H](C)c1ccc(/N=C/c2cc(Br)ccc2O)cc1 ZINC000005665962 563544488 /nfs/dbraw/zinc/54/44/88/563544488.db2.gz LIDODSBVMRSMEU-MKFNJMOCSA-N 0 0 332.241 5.419 40 30 EKEBRN O=C(/C=C/c1ccc(Br)cc1)c1cccc2ccccc21 ZINC000005669587 564032900 /nfs/dbraw/zinc/03/29/00/564032900.db2.gz VMGROOLBINBCGY-JLHYYAGUSA-N 0 0 337.216 5.498 40 30 EKEBRN Clc1ccc2c(c1)nccc2NN=Cc1cccc2ccccc12 ZINC000005673492 563544788 /nfs/dbraw/zinc/54/47/88/563544788.db2.gz CDWACCGKXAXGCW-YDZHTSKRSA-N 0 0 331.806 5.487 40 30 EKEBRN Cc1ccc(NC2=NC(=O)SC2=Cc2ccc(Cl)cc2)cc1 ZINC000005698504 563546272 /nfs/dbraw/zinc/54/62/72/563546272.db2.gz VKJLWIMJOWWSDZ-GDNBJRDFSA-N 0 0 328.824 5.176 40 30 EKEBRN c1ccc2c(c1)cnnc2N=NCc1c2ccccc2cc2ccccc21 ZINC000005704934 563546261 /nfs/dbraw/zinc/54/62/61/563546261.db2.gz ZYSBGHPLRMLPBN-MFKUBSTISA-N 0 0 348.409 5.382 40 30 EKEBRN CO[C@@H]1CCCC[C@@H]1C(=O)[C@@H](C#N)[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000005707468 210522679 /nfs/dbraw/zinc/52/26/79/210522679.db2.gz MPUDTZVWARYYCZ-CRSSMBPESA-N 0 0 345.527 5.287 40 30 EKEBRN CO[C@H]1CCCC[C@@H]1C(=O)[C@@H](C#N)[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000005707469 563546750 /nfs/dbraw/zinc/54/67/50/563546750.db2.gz MPUDTZVWARYYCZ-MJCUULBUSA-N 0 0 345.527 5.287 40 30 EKEBRN CO[C@@H]1CCCC[C@H]1C(=O)[C@@H](C#N)[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000005707470 210521457 /nfs/dbraw/zinc/52/14/57/210521457.db2.gz MPUDTZVWARYYCZ-SSSFQFABSA-N 0 0 345.527 5.287 40 30 EKEBRN CO[C@H]1CCCC[C@H]1C(=O)[C@@H](C#N)[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000005707471 563546522 /nfs/dbraw/zinc/54/65/22/563546522.db2.gz MPUDTZVWARYYCZ-XKRYSZRTSA-N 0 0 345.527 5.287 40 30 EKEBRN CC(C)(C)N=C(CCSc1ccccc1)Nc1ccccc1Cl ZINC000005713442 518703520 /nfs/dbraw/zinc/70/35/20/518703520.db2.gz HFQJLGSZLVOOAT-UHFFFAOYSA-N 0 0 346.927 5.941 40 30 EKEBRN CC(C)(C)O/N=C/c1cc(NC(=S)c2ccccc2)ccc1Cl ZINC000005713887 563546614 /nfs/dbraw/zinc/54/66/14/563546614.db2.gz LHSQNTXAIGVGEO-UDWIEESQSA-N 0 0 346.883 5.277 40 30 EKEBRN COc1ccc(C(=O)/C=C/c2ccccc2OCc2ccccc2)cc1 ZINC000005720418 564014187 /nfs/dbraw/zinc/01/41/87/564014187.db2.gz OCBFZUSKAVGNRT-DTQAZKPQSA-N 0 0 344.410 5.170 40 30 EKEBRN COc1cccc(C(=O)/C=C/c2ccccc2OCc2ccccc2)c1 ZINC000005720958 564014177 /nfs/dbraw/zinc/01/41/77/564014177.db2.gz OTYZDPUDSTUQIJ-CCEZHUSRSA-N 0 0 344.410 5.170 40 30 EKEBRN O=C(/C=C\c1cccc2ccccc12)c1ccc(Cl)cc1Cl ZINC000005722624 563547319 /nfs/dbraw/zinc/54/73/19/563547319.db2.gz DFKKJKLEGKUZNZ-FLIBITNWSA-N 0 0 327.210 6.043 40 30 EKEBRN O=C(/C=C\c1cccc2ccccc12)c1ccc(Br)cc1 ZINC000005722626 563547343 /nfs/dbraw/zinc/54/73/43/563547343.db2.gz SMKOZOJSIIZLHV-RAXLEYEMSA-N 0 0 337.216 5.498 40 30 EKEBRN O=C(/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1 ZINC000005722797 563547383 /nfs/dbraw/zinc/54/73/83/563547383.db2.gz OBOJHUWHVNHVFZ-HMMYKYKNSA-N 0 0 329.355 5.018 40 30 EKEBRN O=C(/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1 ZINC000005722798 563547396 /nfs/dbraw/zinc/54/73/96/563547396.db2.gz JTRQEDPFEOMATD-HMMYKYKNSA-N 0 0 329.355 5.018 40 30 EKEBRN CN(c1ccccc1)[C@H](C#N)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000005726701 563547412 /nfs/dbraw/zinc/54/74/12/563547412.db2.gz DEDGVOVQBOJHAC-OAQYLSRUSA-N 0 0 334.507 5.983 40 30 EKEBRN CN(c1ccccc1)[C@@H](C#N)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000005726702 201661345 /nfs/dbraw/zinc/66/13/45/201661345.db2.gz DEDGVOVQBOJHAC-NRFANRHFSA-N 0 0 334.507 5.983 40 30 EKEBRN CC(C)(C)c1cc2oc3c(c2c(/C=N/c2ccccn2)c1O)CCCC3 ZINC000005726727 563547299 /nfs/dbraw/zinc/54/72/99/563547299.db2.gz KEHDVZDBLPDJAJ-ZMOGYAJESA-N 0 0 348.446 5.460 40 30 EKEBRN Cc1nc(C(=O)Nc2ccccc2Cl)cc2c3ccccc3[nH]c21 ZINC000005730239 564006059 /nfs/dbraw/zinc/00/60/59/564006059.db2.gz VVQRDYQMLKYOBM-UHFFFAOYSA-N 0 0 335.794 5.314 40 30 EKEBRN Cc1ccc(C(=CC(=O)c2ccccc2)CC(=O)c2ccccc2)cc1 ZINC000005745080 525940354 /nfs/dbraw/zinc/94/03/54/525940354.db2.gz OBYHSBNHYYNQJI-CJLVFECKSA-N 0 0 340.422 5.534 40 30 EKEBRN Cc1ccc(C(=NOC(=O)Nc2ccc(Cl)cc2)C(C)C)cc1 ZINC000005745108 563548820 /nfs/dbraw/zinc/54/88/20/563548820.db2.gz ZQYBWWPTPNLFSG-HEHNFIMWSA-N 0 0 330.815 5.257 40 30 EKEBRN Cc1ccc(C(=NOC(=O)Nc2cccc(Cl)c2)C(C)C)cc1 ZINC000005745110 563548778 /nfs/dbraw/zinc/54/87/78/563548778.db2.gz GYGGBPNESYVEHQ-HEHNFIMWSA-N 0 0 330.815 5.257 40 30 EKEBRN N#Cc1c(=S)[nH]c2c(c1-c1ccc(Cl)cc1Cl)CCCC2 ZINC000005749488 564024976 /nfs/dbraw/zinc/02/49/76/564024976.db2.gz XMMXMRYEKSIEDJ-UHFFFAOYSA-N 0 0 335.259 5.468 40 30 EKEBRN N#Cc1c(=S)[nH]c2c(c1-c1ccc(Cl)c(Cl)c1)CCCC2 ZINC000005749649 564024969 /nfs/dbraw/zinc/02/49/69/564024969.db2.gz CLYISEUQCCSLIJ-UHFFFAOYSA-N 0 0 335.259 5.468 40 30 EKEBRN Cc1cccc(NC2=NC(=O)SC2=Cc2ccc(Cl)cc2)c1 ZINC000005754838 563549146 /nfs/dbraw/zinc/54/91/46/563549146.db2.gz GDKSQWVMMDGXCW-GDNBJRDFSA-N 0 0 328.824 5.176 40 30 EKEBRN Cc1ccccc1NC1=NC(=O)SC1=Cc1ccc(Cl)cc1 ZINC000005756124 563549463 /nfs/dbraw/zinc/54/94/63/563549463.db2.gz LHRQBIBEYBESRM-GDNBJRDFSA-N 0 0 328.824 5.176 40 30 EKEBRN Clc1cccc(Cl)c1/N=C/Nc1c(Cl)cccc1Cl ZINC000005756684 563549514 /nfs/dbraw/zinc/54/95/14/563549514.db2.gz MCUQYHVQSBXSHU-UHFFFAOYSA-N 0 0 334.033 6.072 40 30 EKEBRN C(=N/c1ccccc1)\c1c(OCc2ccccc2)ccc2ccccc21 ZINC000005773734 564014290 /nfs/dbraw/zinc/01/42/90/564014290.db2.gz IHOHJAIFTNCHMT-KOEQRZSOSA-N 0 0 337.422 6.169 40 30 EKEBRN Clc1ccc(/C=N/N(c2ccccc2)c2ccccc2)c(Cl)c1 ZINC000005774183 563549751 /nfs/dbraw/zinc/54/97/51/563549751.db2.gz FRMLPSIDXFEGFY-HYARGMPZSA-N 0 0 341.241 6.166 40 30 EKEBRN C(=[NH+][N-]c1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1 ZINC000005775703 564072242 /nfs/dbraw/zinc/07/22/42/564072242.db2.gz DKOXITYVOXJLAK-KGENOOAVSA-N 0 0 329.428 5.409 40 30 EKEBRN Fc1ccc(-c2ccc(C=NN=c3[nH]c4ccccc4s3)o2)cc1 ZINC000005777556 563550071 /nfs/dbraw/zinc/55/00/71/563550071.db2.gz YYPHGCYWNCREFF-RGVLZGJSSA-N 0 0 337.379 5.141 40 30 EKEBRN CCCCCCN(C(=O)Oc1ccccc1)[C@@H](C#N)c1ccccc1 ZINC000005782605 563550055 /nfs/dbraw/zinc/55/00/55/563550055.db2.gz RMPDARWUDHEONV-FQEVSTJZSA-N 0 0 336.435 5.333 40 30 EKEBRN Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3ccc(O)cc3)cc1)C2 ZINC000005798758 525592557 /nfs/dbraw/zinc/59/25/57/525592557.db2.gz ILAQWSCXMRDYHW-ZMOGYAJESA-N 0 0 342.442 5.280 40 30 EKEBRN O=C(/C=C\c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000005808889 563551166 /nfs/dbraw/zinc/55/11/66/563551166.db2.gz HDRUDSYPDBRZHT-KXFIGUGUSA-N 0 0 346.040 6.196 40 30 EKEBRN O=C(/C=C\c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1 ZINC000005808891 563551147 /nfs/dbraw/zinc/55/11/47/563551147.db2.gz ZTDSULGAVOXOLC-POHAHGRESA-N 0 0 327.210 6.043 40 30 EKEBRN CC(C)(C)O/N=C\c1cc(NC(=S)c2ccccc2)ccc1Cl ZINC000005811798 563551124 /nfs/dbraw/zinc/55/11/24/563551124.db2.gz LHSQNTXAIGVGEO-NDENLUEZSA-N 0 0 346.883 5.277 40 30 EKEBRN CCCCc1ccc(C=NNc2ccc(C(F)(F)F)cc2)s1 ZINC000005863112 564033016 /nfs/dbraw/zinc/03/30/16/564033016.db2.gz KWRRXSRJZPCHPE-RGVLZGJSSA-N 0 0 326.387 5.556 40 30 EKEBRN O=C(O/N=C1/CCCC/C1=C\c1ccccc1)c1ccc(Cl)cc1 ZINC000005887938 563553354 /nfs/dbraw/zinc/55/33/54/563553354.db2.gz RVMAFJBKFCVPEA-WZBLNXIKSA-N 0 0 339.822 5.510 40 30 EKEBRN O=C(Nc1ccccc1)O/N=C/c1c2ccccc2cc2ccccc21 ZINC000005900941 210555393 /nfs/dbraw/zinc/55/53/93/210555393.db2.gz OPBDNJZMGYSUSH-HZHRSRAPSA-N 0 0 340.382 5.576 40 30 EKEBRN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc[nH]1 ZINC000005945601 563555129 /nfs/dbraw/zinc/55/51/29/563555129.db2.gz OGGOCDIKVFTXGI-QFIPXVFZSA-N 0 0 342.442 5.477 40 30 EKEBRN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc[nH]1 ZINC000005945737 563555085 /nfs/dbraw/zinc/55/50/85/563555085.db2.gz OGGOCDIKVFTXGI-JOCHJYFZSA-N 0 0 342.442 5.477 40 30 EKEBRN CCCc1sc(N=NCc2ccccc2)nc1-c1cc(C)ccc1C ZINC000005952273 563555942 /nfs/dbraw/zinc/55/59/42/563555942.db2.gz KKAYPSDPAOLBMK-HYARGMPZSA-N 0 0 349.503 5.825 40 30 EKEBRN C=CCOc1c(Cl)cc(CNc2ccccc2Cl)cc1Cl ZINC000006022268 563991902 /nfs/dbraw/zinc/99/19/02/563991902.db2.gz XIKWJTDBNRPBMV-UHFFFAOYSA-N 0 0 342.653 5.824 40 30 EKEBRN CCCCc1ccc(/N=C/c2cc(F)c(N3CCCC3)cc2C)cc1 ZINC000006026263 564129792 /nfs/dbraw/zinc/12/97/92/564129792.db2.gz PQXGHSLAIDEGIZ-LFVJCYFKSA-N 0 0 338.470 5.828 40 30 EKEBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C/C(=O)c2ccccc2)o1 ZINC000006034115 564014402 /nfs/dbraw/zinc/01/44/02/564014402.db2.gz SCOYLYUYPCJJLJ-PKNBQFBNSA-N 0 0 333.343 5.059 40 30 EKEBRN CCC(N=Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000006050209 564033137 /nfs/dbraw/zinc/03/31/37/564033137.db2.gz DBOQVHHRBVTNIU-QGOAFFKASA-N 0 0 338.194 5.128 40 30 EKEBRN CSc1ccccc1/N=C/c1c2c(ccc1O)oc1c2CCCC1 ZINC000006182777 563560539 /nfs/dbraw/zinc/56/05/39/563560539.db2.gz KDAWNQDHZJYOJJ-CIAFOILYSA-N 0 0 337.444 5.490 40 30 EKEBRN Clc1ccc(-c2nc(C=NNc3ccccc3)c3ccccn32)cc1 ZINC000006188334 564111936 /nfs/dbraw/zinc/11/19/36/564111936.db2.gz VPZRXHFOQYYCEQ-HYARGMPZSA-N 0 0 346.821 5.101 40 30 EKEBRN COc1ccc(Oc2ccc(/N=C/c3cc(C)c(O)c(C)c3)cc2)cc1 ZINC000006202690 564129784 /nfs/dbraw/zinc/12/97/84/564129784.db2.gz JEGHVWZASDXGEI-OEAKJJBVSA-N 0 0 347.414 5.561 40 30 EKEBRN Cc1ccc(Oc2ccc(/N=C/c3cc(C)c(O)c(C)c3)cc2)cc1 ZINC000006204901 563560993 /nfs/dbraw/zinc/56/09/93/563560993.db2.gz YOPXSWSNDVTKSI-OEAKJJBVSA-N 0 0 331.415 5.860 40 30 EKEBRN CCOc1cccc(NC=CC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000006223532 564129791 /nfs/dbraw/zinc/12/97/91/564129791.db2.gz GCOKPLHWWNFVTM-CMDGGOBGSA-N 0 0 336.218 5.201 40 30 EKEBRN S=C(Cc1ccccc1)NN=C1CCCCCCCCCCC1 ZINC000006227620 201676096 /nfs/dbraw/zinc/67/60/96/201676096.db2.gz CZDOTNPNAFZSOT-UHFFFAOYSA-N 0 0 330.541 5.807 40 30 EKEBRN O=C1c2ccccc2C/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000006228476 564129766 /nfs/dbraw/zinc/12/97/66/564129766.db2.gz SUHAWQXYCZKEGP-XSFVSMFZSA-N 0 0 326.395 5.088 40 30 EKEBRN COc1ccc(/N=C/c2cc(F)c(N3CCCC3)cc2C)cc1Cl ZINC000006235827 564129778 /nfs/dbraw/zinc/12/97/78/564129778.db2.gz DNTXPQDHZXIGTI-WSDLNYQXSA-N 0 0 346.833 5.147 40 30 EKEBRN Cc1cc(N2CCCC2)c(F)cc1/C=N/c1cccc2ccccc21 ZINC000006235834 564129788 /nfs/dbraw/zinc/12/97/88/564129788.db2.gz LNWUVQKKEURADF-BUVRLJJBSA-N 0 0 332.422 5.638 40 30 EKEBRN Oc1ccc(Cc2ccccc2Cl)cc1C=NNc1ccccc1 ZINC000006240639 526345082 /nfs/dbraw/zinc/34/50/82/526345082.db2.gz RESLOSOOLIDUBQ-HYARGMPZSA-N 0 0 336.822 5.082 40 30 EKEBRN C(=N/c1nc2c(s1)-c1ccccc1CC2)\c1cccc2ccccc12 ZINC000006244078 563562349 /nfs/dbraw/zinc/56/23/49/563562349.db2.gz AENVSBBTMGYHDY-OEAKJJBVSA-N 0 0 340.451 5.813 40 30 EKEBRN Oc1ccccc1CN=Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000006244338 526370408 /nfs/dbraw/zinc/37/04/08/526370408.db2.gz YPIHNQNVKHTXOT-CIAFOILYSA-N 0 0 345.427 5.115 40 30 EKEBRN CC[C@@H](C)c1ccc(/N=C/c2cc(F)c(N3CCCC3)cc2C)cc1 ZINC000006247053 564129779 /nfs/dbraw/zinc/12/97/79/564129779.db2.gz XBMVEEUHTALPMB-DTVDJLOLSA-N 0 0 338.470 5.998 40 30 EKEBRN CC[C@H](C)c1ccc(/N=C/c2cc(F)c(N3CCCC3)cc2C)cc1 ZINC000006247082 564129769 /nfs/dbraw/zinc/12/97/69/564129769.db2.gz XBMVEEUHTALPMB-WTJYETQFSA-N 0 0 338.470 5.998 40 30 EKEBRN CC(C)c1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1 ZINC000006257002 564066319 /nfs/dbraw/zinc/06/63/19/564066319.db2.gz IYIHLSNDLGQNDU-DHZHZOJOSA-N 0 0 329.237 5.469 40 30 EKEBRN Cc1ccc(C(=O)C=CNc2ccc(OC(F)(F)F)cc2)c(C)c1 ZINC000006275868 526014725 /nfs/dbraw/zinc/01/47/25/526014725.db2.gz YQXYWSBUIQGZIG-KTKRTIGZSA-N 0 0 335.325 5.011 40 30 EKEBRN O=C(C=CNc1ccc(C(F)(F)F)cc1)c1cccc2ccccc21 ZINC000006277077 563564061 /nfs/dbraw/zinc/56/40/61/563564061.db2.gz GGXZZBWKACNGPM-SEYXRHQNSA-N 0 0 341.332 5.667 40 30 EKEBRN O=C(C=CNc1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1 ZINC000006277094 210611698 /nfs/dbraw/zinc/61/16/98/210611698.db2.gz DSBBLLHWUQOQKY-QXMHVHEDSA-N 0 0 341.332 5.667 40 30 EKEBRN Cc1cc(/C=N/c2ccc(Br)c(Cl)c2)cc(C)c1O ZINC000006281087 564034399 /nfs/dbraw/zinc/03/43/99/564034399.db2.gz RPHUCRJAKAYZQJ-QGMBQPNBSA-N 0 0 338.632 5.176 40 30 EKEBRN COc1cccc(Oc2ccc(/N=C/c3cc(C)c(O)c(C)c3)cc2)c1 ZINC000006281091 564129765 /nfs/dbraw/zinc/12/97/65/564129765.db2.gz RHFSKBQOMLOQRE-OEAKJJBVSA-N 0 0 347.414 5.561 40 30 EKEBRN CC(N=Nc1nncc2ccccc21)c1ccc(-c2ccccc2)cc1 ZINC000006287601 210612965 /nfs/dbraw/zinc/61/29/65/210612965.db2.gz BADVJZJJVGEWPH-LFVJCYFKSA-N 0 0 338.414 5.133 40 30 EKEBRN COc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1ccccc1 ZINC000006289373 521940191 /nfs/dbraw/zinc/94/01/91/521940191.db2.gz PYJBMIQMKLZBHX-WYMLVPIESA-N 0 0 344.410 5.170 40 30 EKEBRN C#CCOc1c(Cl)cc(CNc2ccc(Cl)cc2)cc1Cl ZINC000006295356 564125821 /nfs/dbraw/zinc/12/58/21/564125821.db2.gz IMMTZHKSONZVEX-UHFFFAOYSA-N 0 0 340.637 5.271 40 30 EKEBRN C#CCOc1c(Cl)cc(CNc2ccccc2Cl)cc1Cl ZINC000006295358 564125826 /nfs/dbraw/zinc/12/58/26/564125826.db2.gz WPQRMNGIVSVLDF-UHFFFAOYSA-N 0 0 340.637 5.271 40 30 EKEBRN C#CCOc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1 ZINC000006295374 564125831 /nfs/dbraw/zinc/12/58/31/564125831.db2.gz WEFITPJCSLDYBM-HAVVHWLPSA-N 0 0 327.383 5.242 40 30 EKEBRN C=CCOc1ccccc1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000006295883 564125842 /nfs/dbraw/zinc/12/58/42/564125842.db2.gz OZUHDIGJFRKTNQ-HAVVHWLPSA-N 0 0 329.399 5.794 40 30 EKEBRN COc1cc(C=NNc2ccccc2C)ccc1OCc1ccccc1 ZINC000006302816 521992149 /nfs/dbraw/zinc/99/21/49/521992149.db2.gz IUCGYTWNXKUPBJ-HZHRSRAPSA-N 0 0 346.430 5.029 40 30 EKEBRN CCCCCCOc1ccc(C=NNc2ccc(C)c(Cl)c2)cc1 ZINC000006310026 520103781 /nfs/dbraw/zinc/10/37/81/520103781.db2.gz DAZWALLCHQQHQY-PXLXIMEGSA-N 0 0 344.886 6.054 40 30 EKEBRN CC(C)(C)c1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 ZINC000006313486 564066304 /nfs/dbraw/zinc/06/63/04/564066304.db2.gz VHBJXUMAXLHYQE-AWNIVKPZSA-N 0 0 343.264 5.643 40 30 EKEBRN CC(C)(C)c1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000006313489 564066311 /nfs/dbraw/zinc/06/63/11/564066311.db2.gz NPGQJNWJBGNBIA-WOJGMQOQSA-N 0 0 340.466 6.547 40 30 EKEBRN CSc1ccc(C=NNc2ccnc3cc(Cl)ccc32)cc1 ZINC000006320193 564006395 /nfs/dbraw/zinc/00/63/95/564006395.db2.gz HFXJZNURKSTNRJ-RGVLZGJSSA-N 0 0 327.840 5.056 40 30 EKEBRN CCCCOc1ccc(/C=C2/Sc3ccccc3C2=O)cc1OC ZINC000006323398 564014746 /nfs/dbraw/zinc/01/47/46/564014746.db2.gz YWBJIDBCDWEHFG-CPNJWEJPSA-N 0 0 340.444 5.204 40 30 EKEBRN Cc1ccc(C(=O)/C=C/c2cccc(OCc3ccccc3)c2)cc1 ZINC000006338244 564014779 /nfs/dbraw/zinc/01/47/79/564014779.db2.gz VKIFSEDRBKPUIM-NTCAYCPXSA-N 0 0 328.411 5.470 40 30 EKEBRN CCCCCCOc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 ZINC000006339064 520105609 /nfs/dbraw/zinc/10/56/09/520105609.db2.gz AVLAGHWXLDICDL-UHFFFAOYSA-N 0 0 334.415 5.108 40 30 EKEBRN COc1cccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1OC ZINC000006339354 525762501 /nfs/dbraw/zinc/76/25/01/525762501.db2.gz QBSGVRMDMXPMIE-FOCLMDBBSA-N 0 0 344.410 5.267 40 30 EKEBRN O=C(/C=C/c1ccccc1OCc1ccccc1)c1ccc(F)cc1 ZINC000006339635 564014794 /nfs/dbraw/zinc/01/47/94/564014794.db2.gz GBOJEPGYRLIAKY-NTCAYCPXSA-N 0 0 332.374 5.301 40 30 EKEBRN CCOc1ccc2ccccc2c1/C=C/C(=O)c1ccc(OC)cc1 ZINC000006340185 564129776 /nfs/dbraw/zinc/12/97/76/564129776.db2.gz ZXUPSGCPAMRBAQ-BUHFOSPRSA-N 0 0 332.399 5.143 40 30 EKEBRN O=C1c2ccccc2C/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000006340217 564129811 /nfs/dbraw/zinc/12/98/11/564129811.db2.gz QETVQDHHIBLDSQ-DEDYPNTBSA-N 0 0 326.395 5.088 40 30 EKEBRN O=C1c2ccccc2C/C1=C\c1ccccc1OCc1ccccc1 ZINC000006340258 564129805 /nfs/dbraw/zinc/12/98/05/564129805.db2.gz CJFJSNCRFGEGJC-HMMYKYKNSA-N 0 0 326.395 5.088 40 30 EKEBRN Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1C ZINC000006340758 564066344 /nfs/dbraw/zinc/06/63/44/564066344.db2.gz RLOWWLZEXTUQAP-RVDMUPIBSA-N 0 0 342.438 5.779 40 30 EKEBRN CCCC[C@@](C#N)(c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000006379681 563566394 /nfs/dbraw/zinc/56/63/94/563566394.db2.gz CTAZCSKQDRVENS-RUZDIDTESA-N 0 0 339.482 6.470 40 30 EKEBRN CCCCC(=O)Nc1cccc(/N=C/c2cc(Cl)cc(C)c2O)c1 ZINC000006396799 564034379 /nfs/dbraw/zinc/03/43/79/564034379.db2.gz VLRWLCDGFZPLTE-CIAFOILYSA-N 0 0 344.842 5.233 40 30 EKEBRN CCCCC(=O)Nc1cccc(/N=C/c2cc(C)cc(Cl)c2O)c1 ZINC000006396806 564034389 /nfs/dbraw/zinc/03/43/89/564034389.db2.gz KBMDHKJKPIGGLW-CIAFOILYSA-N 0 0 344.842 5.233 40 30 EKEBRN Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c(C)c1 ZINC000006432946 564066351 /nfs/dbraw/zinc/06/63/51/564066351.db2.gz KMMWSTUGBHCMKO-RVDMUPIBSA-N 0 0 342.438 5.779 40 30 EKEBRN Cc1ccc(-c2csc(N=NC3C[C@H]4CC[C@]3(C)C4(C)C)n2)cc1 ZINC000006438709 564024539 /nfs/dbraw/zinc/02/45/39/564024539.db2.gz SJVCVARTRNUBQA-AEYAVPSDSA-N 0 0 339.508 5.733 40 30 EKEBRN C=CCOc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1OCC ZINC000006439556 564125983 /nfs/dbraw/zinc/12/59/83/564125983.db2.gz LKKWMXDWGSDXNK-UHFFFAOYSA-N 0 0 347.414 5.056 40 30 EKEBRN O=C(C=CNc1ccc(F)c(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000006453105 564129820 /nfs/dbraw/zinc/12/98/20/564129820.db2.gz KCPWWOLBSGKFQT-AATRIKPKSA-N 0 0 328.145 5.080 40 30 EKEBRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1cccs1 ZINC000006472989 210638583 /nfs/dbraw/zinc/63/85/83/210638583.db2.gz JJTCKTGUIHZNHG-HWKANZROSA-N 0 0 349.238 6.211 40 30 EKEBRN Cc1occc1C(=S)Nc1ccc(Cl)c(COC(C)(C)C)c1 ZINC000006483678 563569117 /nfs/dbraw/zinc/56/91/17/563569117.db2.gz CMBPPBPDHAZOMK-UHFFFAOYSA-N 0 0 337.872 5.565 40 30 EKEBRN Cc1ccccc1Oc1ccc(/N=C/c2cc(C)c(O)c(C)c2)cc1 ZINC000006504810 564129827 /nfs/dbraw/zinc/12/98/27/564129827.db2.gz SPRAASPZZLSMAV-OEAKJJBVSA-N 0 0 331.415 5.860 40 30 EKEBRN N#Cc1c(=S)[nH]c2c(c1-c1ccc(Cl)c(Cl)c1)CCCCC2 ZINC000006505576 564091055 /nfs/dbraw/zinc/09/10/55/564091055.db2.gz DBRBTHSVMFHZGY-UHFFFAOYSA-N 0 0 349.286 5.859 40 30 EKEBRN O=C(/C(=C\c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1 ZINC000006514038 210644065 /nfs/dbraw/zinc/64/40/65/210644065.db2.gz OBOJHUWHVNHVFZ-HKWRFOASSA-N 0 0 329.355 5.018 40 30 EKEBRN O=C(O/N=C1\CCCC\C1=C/c1ccccc1)c1ccc(Cl)cc1 ZINC000006514175 563570669 /nfs/dbraw/zinc/57/06/69/563570669.db2.gz RVMAFJBKFCVPEA-QCCCPLQBSA-N 0 0 339.822 5.510 40 30 EKEBRN CC(C)(C)c1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000006515550 564066338 /nfs/dbraw/zinc/06/63/38/564066338.db2.gz UZLCCQHZFKLQSL-IZZDOVSWSA-N 0 0 333.258 6.187 40 30 EKEBRN CC(C)(C)c1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000006515552 564066354 /nfs/dbraw/zinc/06/63/54/564066354.db2.gz IUZIOWYVKAASLD-IZZDOVSWSA-N 0 0 333.258 6.187 40 30 EKEBRN Oc1ccc(Cl)cc1/C=N/c1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000006554242 563571756 /nfs/dbraw/zinc/57/17/56/563571756.db2.gz VGHOXCKNVVOEDE-WSDLNYQXSA-N 0 0 347.805 5.340 40 30 EKEBRN FC(F)(F)c1cnc(N=NCc2cccc3ccccc32)c(Cl)c1 ZINC000006566464 564006543 /nfs/dbraw/zinc/00/65/43/564006543.db2.gz GNNUFCCIWYBOGD-NUGSKGIGSA-N 0 0 349.743 5.353 40 30 EKEBRN Cc1cc(N2CCCC2)c(F)cc1/C=N/c1ccc(F)c(Cl)c1 ZINC000006571367 564129801 /nfs/dbraw/zinc/12/98/01/564129801.db2.gz GMMORFOCWHOWOM-SSDVNMTOSA-N 0 0 334.797 5.277 40 30 EKEBRN N#C[C@@H](c1ccccc1)[C@H](C/C(=N\O)c1ccccc1)c1ccccc1 ZINC000006575551 563573172 /nfs/dbraw/zinc/57/31/72/563573172.db2.gz LENXMXZDEOPCNP-RFZHNHFISA-N 0 0 340.426 5.346 40 30 EKEBRN N#C[C@@H](c1ccccc1)[C@@H](C/C(=N\O)c1ccccc1)c1ccccc1 ZINC000006575706 563573229 /nfs/dbraw/zinc/57/32/29/563573229.db2.gz LENXMXZDEOPCNP-BGWGKYIPSA-N 0 0 340.426 5.346 40 30 EKEBRN Cc1cc(Cl)cc(/C=N/c2ccccc2N2CCCCC2)c1O ZINC000006613123 563574762 /nfs/dbraw/zinc/57/47/62/563574762.db2.gz ZDWWNWCXAYOMNY-FYJGNVAPSA-N 0 0 328.843 5.095 40 30 EKEBRN CCOc1ccccc1/C=C/C(=O)c1ccc(-c2ccccc2)cc1 ZINC000006617816 258012564 /nfs/dbraw/zinc/01/25/64/258012564.db2.gz CXLWDPXHSSIRBV-WUKNDPDISA-N 0 0 328.411 5.648 40 30 EKEBRN Cc1cc(N2CCCC2)c(F)cc1/C=N/c1cccc(Cl)c1C ZINC000006626248 564129834 /nfs/dbraw/zinc/12/98/34/564129834.db2.gz RJXXMNQCKBFLMR-WSDLNYQXSA-N 0 0 330.834 5.447 40 30 EKEBRN CCOc1ccc(NC=CC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000006712422 564034378 /nfs/dbraw/zinc/03/43/78/564034378.db2.gz MGGFSMGSOHKTDF-MDZDMXLPSA-N 0 0 336.218 5.201 40 30 EKEBRN Cc1ccc(O)c(/C=N/c2ccc(N3CCCCC3)c(Cl)c2)c1 ZINC000006714699 563582006 /nfs/dbraw/zinc/58/20/06/563582006.db2.gz AEUMLCQGPOARLO-FYJGNVAPSA-N 0 0 328.843 5.095 40 30 EKEBRN C=CCCCCCCCCC(=O)Nc1ccc(Br)cc1 ZINC000006761165 564070801 /nfs/dbraw/zinc/07/08/01/564070801.db2.gz LTIHTXCDLQYETN-UHFFFAOYSA-N 0 0 338.289 5.694 40 30 EKEBRN C=CCOc1c(Cl)cc(CNc2ccc(Cl)cc2)cc1Cl ZINC000006761213 564126193 /nfs/dbraw/zinc/12/61/93/564126193.db2.gz DXPYXYZXMBUBNX-UHFFFAOYSA-N 0 0 342.653 5.824 40 30 EKEBRN CSc1ccccc1/N=C/c1cc(F)c(N2CCCC2)cc1C ZINC000006792620 564129806 /nfs/dbraw/zinc/12/98/06/564129806.db2.gz ZOSCRCUKISCUTQ-FYJGNVAPSA-N 0 0 328.456 5.207 40 30 EKEBRN Cc1ccc(/N=C/c2cc(Cc3ccccc3)ccc2O)cc1Cl ZINC000006815208 563587465 /nfs/dbraw/zinc/58/74/65/563587465.db2.gz UOKCGLNIRQOSOJ-OEAKJJBVSA-N 0 0 335.834 5.695 40 30 EKEBRN Cc1cccc(/C=N/c2cccc(-c3nc4ccccc4o3)c2C)c1O ZINC000006816109 563587348 /nfs/dbraw/zinc/58/73/48/563587348.db2.gz IMUPYQGRSQPELF-YDZHTSKRSA-N 0 0 342.398 5.568 40 30 EKEBRN Clc1ccc(N=NC=CC(Cl)c2ccc(Cl)cc2)cc1 ZINC000006828946 563588237 /nfs/dbraw/zinc/58/82/37/563588237.db2.gz VHEUTZMCAQYWQU-MPGSNBGNSA-N 0 0 325.626 5.671 40 30 EKEBRN C=CCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1 ZINC000006865486 564126206 /nfs/dbraw/zinc/12/62/06/564126206.db2.gz QLDZWZAAFUINLM-UHFFFAOYSA-N 0 0 341.867 5.174 40 30 EKEBRN CCCOc1c(Cl)cc(/C=N/c2cc(C)ccc2C)cc1Cl ZINC000006880659 563993475 /nfs/dbraw/zinc/99/34/75/563993475.db2.gz DDFVPTFQGZFASA-SRZZPIQSSA-N 0 0 336.262 6.150 40 30 EKEBRN CCCOc1c(Cl)cc(/C=N/c2cc(C)ccc2C)cc1OC ZINC000006880661 563993486 /nfs/dbraw/zinc/99/34/86/563993486.db2.gz METNZIYDOWGYKO-CIAFOILYSA-N 0 0 331.843 5.505 40 30 EKEBRN CCCOc1c(Cl)cc(/C=N/c2cc(C)ccc2C)cc1OCC ZINC000006880662 563993497 /nfs/dbraw/zinc/99/34/97/563993497.db2.gz JSDUWKSAQZBKFW-LPYMAVHISA-N 0 0 345.870 5.895 40 30 EKEBRN CCCOc1c(Cl)cc(/C=N/c2ccc(C)c(C)c2)cc1Cl ZINC000006880668 563993504 /nfs/dbraw/zinc/99/35/04/563993504.db2.gz OMLNTHHSBUPHTF-SRZZPIQSSA-N 0 0 336.262 6.150 40 30 EKEBRN CCCOc1c(Cl)cc(/C=N/c2ccc(C)c(C)c2)cc1OC ZINC000006880669 563993501 /nfs/dbraw/zinc/99/35/01/563993501.db2.gz AVQKRWOHGPIAFC-CIAFOILYSA-N 0 0 331.843 5.505 40 30 EKEBRN CCCOc1c(Cl)cc(/C=N/c2ccc(C)c(C)c2)cc1OCC ZINC000006880671 563993500 /nfs/dbraw/zinc/99/35/00/563993500.db2.gz AUUCPMAZWXBEAJ-LPYMAVHISA-N 0 0 345.870 5.895 40 30 EKEBRN CCCOc1c(Cl)cc(/C=N/c2ccc(C)cc2)cc1OCC ZINC000006880682 563993493 /nfs/dbraw/zinc/99/34/93/563993493.db2.gz NYSAULOQGCWEGE-FYJGNVAPSA-N 0 0 331.843 5.587 40 30 EKEBRN CCCOc1c(Cl)cc(/C=N/c2ccc(CC)cc2)cc1Cl ZINC000006880684 563993485 /nfs/dbraw/zinc/99/34/85/563993485.db2.gz MEAGRCCBKZWRNO-CIAFOILYSA-N 0 0 336.262 6.095 40 30 EKEBRN CCCOc1c(Cl)cc(/C=N/c2ccc(CC)cc2)cc1OC ZINC000006880686 564015203 /nfs/dbraw/zinc/01/52/03/564015203.db2.gz ZTLDZMLBZIKGSL-FYJGNVAPSA-N 0 0 331.843 5.450 40 30 EKEBRN CCCOc1c(Cl)cc(/C=N/c2ccc(CC)cc2)cc1OCC ZINC000006880687 563993483 /nfs/dbraw/zinc/99/34/83/563993483.db2.gz IIJCGVWMEHBXLG-HYARGMPZSA-N 0 0 345.870 5.841 40 30 EKEBRN CCCOc1c(Cl)cc(/C=N/c2ccc(OC)cc2)cc1Cl ZINC000006880689 563993480 /nfs/dbraw/zinc/99/34/80/563993480.db2.gz UIOHVVZOIVSVAE-RGVLZGJSSA-N 0 0 338.234 5.541 40 30 EKEBRN CCCOc1c(Cl)cc(/C=N/c2ccc(OC)cc2)cc1OCC ZINC000006880693 563993472 /nfs/dbraw/zinc/99/34/72/563993472.db2.gz QDUCJVJXRWLWAS-FYJGNVAPSA-N 0 0 347.842 5.287 40 30 EKEBRN CCCOc1c(Cl)cc(/C=N/c2ccc(OCC)cc2)cc1OC ZINC000006880697 563993482 /nfs/dbraw/zinc/99/34/82/563993482.db2.gz SNPVYCZMGDNMLH-FYJGNVAPSA-N 0 0 347.842 5.287 40 30 EKEBRN CCCOc1c(Cl)cc(/C=N/c2ccc(C)cc2C)cc1Cl ZINC000006880705 564126197 /nfs/dbraw/zinc/12/61/97/564126197.db2.gz MQTILEZNNBBKOL-SRZZPIQSSA-N 0 0 336.262 6.150 40 30 EKEBRN CCCOc1c(Cl)cc(/C=N/c2ccc(C)cc2C)cc1OC ZINC000006880707 564126203 /nfs/dbraw/zinc/12/62/03/564126203.db2.gz HIOXBRXTSYFNPU-CIAFOILYSA-N 0 0 331.843 5.505 40 30 EKEBRN CCCOc1c(Cl)cc(/C=N/c2ccc(C)cc2C)cc1OCC ZINC000006880708 564126212 /nfs/dbraw/zinc/12/62/12/564126212.db2.gz DXZMUTVGBPHQPW-LPYMAVHISA-N 0 0 345.870 5.895 40 30 EKEBRN CCCOc1c(Cl)cc(/C=N/c2cccc(C)c2C)cc1Cl ZINC000006880710 564126235 /nfs/dbraw/zinc/12/62/35/564126235.db2.gz LDJOYJJWPQDCJV-SRZZPIQSSA-N 0 0 336.262 6.150 40 30 EKEBRN CCCOc1c(Cl)cc(/C=N/c2cccc(C)c2C)cc1OC ZINC000006880711 564126232 /nfs/dbraw/zinc/12/62/32/564126232.db2.gz RBBKOMUTYNDEIX-CIAFOILYSA-N 0 0 331.843 5.505 40 30 EKEBRN CCCOc1c(Cl)cc(/C=N/c2cccc(C)c2C)cc1OCC ZINC000006880713 564126238 /nfs/dbraw/zinc/12/62/38/564126238.db2.gz NMIZQBQUVPCBDX-LPYMAVHISA-N 0 0 345.870 5.895 40 30 EKEBRN CCCOc1c(Cl)cc(/C=N/c2ccccc2C)cc1OCC ZINC000006880730 564126227 /nfs/dbraw/zinc/12/62/27/564126227.db2.gz IAYJSSGHFNHKRV-FYJGNVAPSA-N 0 0 331.843 5.587 40 30 EKEBRN CCCOc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1 ZINC000006880853 563993516 /nfs/dbraw/zinc/99/35/16/563993516.db2.gz MPHSTCBPQXKGAJ-HAVVHWLPSA-N 0 0 331.415 6.018 40 30 EKEBRN Fc1ccc(-c2csc(N=NCc3ccccc3Cl)n2)cc1 ZINC000006889430 563590876 /nfs/dbraw/zinc/59/08/76/563590876.db2.gz ZUQZVMPGNBGPBT-DJKKODMXSA-N 0 0 331.803 5.049 40 30 EKEBRN CCCCc1ccc(/N=C/c2ccc(-c3ccc(C#N)cc3)o2)cc1 ZINC000006890832 564129819 /nfs/dbraw/zinc/12/98/19/564129819.db2.gz NEHHBDLIKZQPGE-LFVJCYFKSA-N 0 0 328.415 5.911 40 30 EKEBRN CCOc1cc(Cl)cc(/C=N/c2ccc3ccccc3c2)c1O ZINC000006892265 563590848 /nfs/dbraw/zinc/59/08/48/563590848.db2.gz HZTLWTDXKUTHAR-CIAFOILYSA-N 0 0 325.795 5.348 40 30 EKEBRN CCOc1cc(Cl)cc(/C=N/c2ccccc2C(F)(F)F)c1O ZINC000006892266 563590933 /nfs/dbraw/zinc/59/09/33/563590933.db2.gz IXVKRGQRDXDDLD-ZVBGSRNCSA-N 0 0 343.732 5.214 40 30 EKEBRN O=C1CCCCCC1=CNc1ccc(Oc2ccccc2Cl)cc1 ZINC000006896552 564129853 /nfs/dbraw/zinc/12/98/53/564129853.db2.gz HLCSPMTYCRAQKP-CCEZHUSRSA-N 0 0 341.838 5.961 40 30 EKEBRN Cc1ccc(NC=CC(=O)c2cc(Cl)ccc2Cl)cc1Cl ZINC000006923939 563591575 /nfs/dbraw/zinc/59/15/75/563591575.db2.gz JMUBLQOMYYUZAY-SREVYHEPSA-N 0 0 340.637 5.764 40 30 EKEBRN O=C(C=CNc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1 ZINC000006925967 563591672 /nfs/dbraw/zinc/59/16/72/563591672.db2.gz HNIPMLFYBGJMKQ-SREVYHEPSA-N 0 0 326.610 5.455 40 30 EKEBRN Fc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000006926224 563591656 /nfs/dbraw/zinc/59/16/56/563591656.db2.gz HYPNUIGJKXPJQJ-MFKUBSTISA-N 0 0 333.450 6.044 40 30 EKEBRN O=C(/C=C/Sc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 ZINC000006927248 563592031 /nfs/dbraw/zinc/59/20/31/563592031.db2.gz UESIGEZCOZMMKR-VOTSOKGWSA-N 0 0 343.757 5.243 40 30 EKEBRN O=C(C=CNc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 ZINC000006927823 563592000 /nfs/dbraw/zinc/59/20/00/563592000.db2.gz OIZOBMIMMKEGFC-CCEZHUSRSA-N 0 0 333.818 5.816 40 30 EKEBRN O=C(C=CNc1cccc(Cl)c1)c1ccc(-c2ccccc2)cc1 ZINC000006927824 563592041 /nfs/dbraw/zinc/59/20/41/563592041.db2.gz RRCNGJUMUBUKKK-BUHFOSPRSA-N 0 0 333.818 5.816 40 30 EKEBRN O=C(/C=C\Sc1nc(-c2ccccc2)cs1)c1ccc(F)cc1 ZINC000006927880 527653170 /nfs/dbraw/zinc/65/31/70/527653170.db2.gz BZPQYUZYHUZGKV-KHPPLWFESA-N 0 0 341.432 5.438 40 30 EKEBRN COc1cccc(/C=N/c2ccccc2)c1OCc1ccccc1F ZINC000006928151 525775443 /nfs/dbraw/zinc/77/54/43/525775443.db2.gz CFHRXICXNTTYJA-OEAKJJBVSA-N 0 0 335.378 5.164 40 30 EKEBRN CCCOc1ccc(Br)cc1/C=N/c1cc(C)ccc1C ZINC000006941547 564126223 /nfs/dbraw/zinc/12/62/23/564126223.db2.gz KRJXRIGLUFKWAT-UDWIEESQSA-N 0 0 346.268 5.605 40 30 EKEBRN CCCOc1ccc(Br)cc1/C=N/c1ccc(C)c(C)c1 ZINC000006941566 563993649 /nfs/dbraw/zinc/99/36/49/563993649.db2.gz KUUQVEVSTDUUBS-UDWIEESQSA-N 0 0 346.268 5.605 40 30 EKEBRN CCCOc1ccc(Br)cc1/C=N/c1ccc(C)cc1 ZINC000006941582 563993632 /nfs/dbraw/zinc/99/36/32/563993632.db2.gz XPUVOVNFGILCJJ-XDHOZWIPSA-N 0 0 332.241 5.297 40 30 EKEBRN CCCOc1ccc(Br)cc1/C=N/c1ccc(CC)cc1 ZINC000006941594 563993655 /nfs/dbraw/zinc/99/36/55/563993655.db2.gz LWKXIVNWCXBOTD-DEDYPNTBSA-N 0 0 346.268 5.551 40 30 EKEBRN CCCOc1ccc(Br)cc1/C=N/c1ccc(C)cc1C ZINC000006941626 564126220 /nfs/dbraw/zinc/12/62/20/564126220.db2.gz UCGVIILGTGHBLZ-UDWIEESQSA-N 0 0 346.268 5.605 40 30 EKEBRN CCCOc1ccc(Br)cc1/C=N/c1cccc(C)c1C ZINC000006941638 564126229 /nfs/dbraw/zinc/12/62/29/564126229.db2.gz WJDGUHRPPLAZHN-UDWIEESQSA-N 0 0 346.268 5.605 40 30 EKEBRN CCCOc1ccc(Br)cc1/C=N/c1ccccc1C ZINC000006941671 564126230 /nfs/dbraw/zinc/12/62/30/564126230.db2.gz DKRKAFQPRKPAIT-XDHOZWIPSA-N 0 0 332.241 5.297 40 30 EKEBRN CCCOc1ccc(/C=N/c2cc(C)ccc2C)cc1Br ZINC000006941695 564126224 /nfs/dbraw/zinc/12/62/24/564126224.db2.gz JKJCZSPPBBUIJO-UDWIEESQSA-N 0 0 346.268 5.605 40 30 EKEBRN CCCOc1ccc(/C=N/c2ccc(C)c(C)c2)cc1Br ZINC000006941707 564126225 /nfs/dbraw/zinc/12/62/25/564126225.db2.gz VXFYSAGSQOGOMF-UDWIEESQSA-N 0 0 346.268 5.605 40 30 EKEBRN CCCOc1ccc(/C=N/c2ccc(C)cc2)cc1Br ZINC000006941717 564126239 /nfs/dbraw/zinc/12/62/39/564126239.db2.gz XSCGXMLNIAMAIZ-XDHOZWIPSA-N 0 0 332.241 5.297 40 30 EKEBRN CCCOc1ccc(/C=N/c2ccc(CC)cc2)cc1Br ZINC000006941721 563993652 /nfs/dbraw/zinc/99/36/52/563993652.db2.gz QWVKYZNBQGSBEK-DEDYPNTBSA-N 0 0 346.268 5.551 40 30 EKEBRN CCCOc1ccc(/C=N/c2ccc(C)cc2C)cc1Br ZINC000006941738 563993644 /nfs/dbraw/zinc/99/36/44/563993644.db2.gz LJCAEZKQCCSIDN-UDWIEESQSA-N 0 0 346.268 5.605 40 30 EKEBRN CCCOc1ccc(/C=N/c2cccc(C)c2C)cc1Br ZINC000006941744 563993627 /nfs/dbraw/zinc/99/36/27/563993627.db2.gz GAFKFZFUFJDNBM-UDWIEESQSA-N 0 0 346.268 5.605 40 30 EKEBRN CCCOc1ccc(/C=N/c2ccccc2C)cc1Br ZINC000006941761 563993634 /nfs/dbraw/zinc/99/36/34/563993634.db2.gz LBUUQSWRUXHCRK-XDHOZWIPSA-N 0 0 332.241 5.297 40 30 EKEBRN CCCOc1ccc(/C=N/c2cc(Cl)ccc2C)cc1OCC ZINC000006942346 564126236 /nfs/dbraw/zinc/12/62/36/564126236.db2.gz NHTVUHDQVMNULB-FYJGNVAPSA-N 0 0 331.843 5.587 40 30 EKEBRN CCCOc1ccc(/C=N/c2ccc(C)c(Cl)c2)cc1OCC ZINC000006942355 564126234 /nfs/dbraw/zinc/12/62/34/564126234.db2.gz QSCPIOJKMJVJSZ-FYJGNVAPSA-N 0 0 331.843 5.587 40 30 EKEBRN CCCOc1ccc(/C=N/c2ccc(OCC)cc2)cc1OCC ZINC000006942378 563993638 /nfs/dbraw/zinc/99/36/38/563993638.db2.gz LJVWCDDIZKECQJ-RCCKNPSSSA-N 0 0 327.424 5.023 40 30 EKEBRN CCCOc1ccc(/C=N/c2cccc(Cl)c2C)cc1OCC ZINC000006942404 564126246 /nfs/dbraw/zinc/12/62/46/564126246.db2.gz WZZNDTYEEWNECL-FYJGNVAPSA-N 0 0 331.843 5.587 40 30 EKEBRN O=C(/C=C/Sc1nc2ccccc2o1)c1cccc2ccccc21 ZINC000006942480 527600307 /nfs/dbraw/zinc/60/03/07/527600307.db2.gz RTACYLPDDNOMQQ-OUKQBFOZSA-N 0 0 331.396 5.470 40 30 EKEBRN CCCOc1ccc2ccccc2c1/C=N/c1cc(Cl)ccc1C ZINC000006942581 564126226 /nfs/dbraw/zinc/12/62/26/564126226.db2.gz HOVSGWBSUYDSDX-OEAKJJBVSA-N 0 0 337.850 6.341 40 30 EKEBRN CCCOc1ccc2ccccc2c1/C=N/c1ccc(C)c(Cl)c1 ZINC000006942595 564126249 /nfs/dbraw/zinc/12/62/49/564126249.db2.gz AJDWYACTDGJPDC-OEAKJJBVSA-N 0 0 337.850 6.341 40 30 EKEBRN CCCOc1ccc2ccccc2c1/C=N/c1ccc(OCC)cc1 ZINC000006942618 563993643 /nfs/dbraw/zinc/99/36/43/563993643.db2.gz UNGJMGDTLGKSHA-XQNSMLJCSA-N 0 0 333.431 5.778 40 30 EKEBRN CCCOc1ccc2ccccc2c1/C=N/c1cccc(Cl)c1C ZINC000006942642 564126273 /nfs/dbraw/zinc/12/62/73/564126273.db2.gz CKVKDWHNGOVPOA-OEAKJJBVSA-N 0 0 337.850 6.341 40 30 EKEBRN O=C(C=CNc1ccc(Cl)cc1F)c1ccc2ccccc2c1 ZINC000006943176 563592008 /nfs/dbraw/zinc/59/20/08/563592008.db2.gz ULNARMWDWPYAEU-KTKRTIGZSA-N 0 0 325.770 5.441 40 30 EKEBRN CCCOc1ccccc1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000006943334 563993646 /nfs/dbraw/zinc/99/36/46/563993646.db2.gz PZFQYOINZXTYMA-HAVVHWLPSA-N 0 0 331.415 6.018 40 30 EKEBRN CCc1cccc2c(C#N)cn(CCOc3cc(C)ccc3C(C)C)c21 ZINC000006945274 564126268 /nfs/dbraw/zinc/12/62/68/564126268.db2.gz NMSKZHVZXMFRFX-UHFFFAOYSA-N 0 0 346.474 5.586 40 30 EKEBRN CCc1cccc2c(C#N)cn(CCOc3ccc(Cl)c(C)c3)c21 ZINC000006945288 564126270 /nfs/dbraw/zinc/12/62/70/564126270.db2.gz UTSPZDDVYYKPMM-UHFFFAOYSA-N 0 0 338.838 5.116 40 30 EKEBRN CCc1cccc2c(C#N)cn(CCOc3ccc(C(C)(C)C)cc3)c21 ZINC000006945293 564126260 /nfs/dbraw/zinc/12/62/60/564126260.db2.gz IERRNVCBYHLOQA-UHFFFAOYSA-N 0 0 346.474 5.452 40 30 EKEBRN CCc1cccc2c(C#N)cn(CCOc3cccc4ccccc43)c21 ZINC000006945308 564126299 /nfs/dbraw/zinc/12/62/99/564126299.db2.gz DYOTUEBWYRFIHQ-UHFFFAOYSA-N 0 0 340.426 5.308 40 30 EKEBRN CCOc1c(Cl)cc(/C=N/c2cc(Cl)ccc2C)cc1Cl ZINC000006958063 564126318 /nfs/dbraw/zinc/12/63/18/564126318.db2.gz WQBYJUDESKFIDK-AWQFTUOYSA-N 0 0 342.653 6.105 40 30 EKEBRN CCOc1c(Cl)cc(/C=N/c2cc(Cl)ccc2C)cc1OC ZINC000006958067 564126335 /nfs/dbraw/zinc/12/63/35/564126335.db2.gz MGEGTVIKGSGYGW-KEBDBYFISA-N 0 0 338.234 5.460 40 30 EKEBRN CCOc1c(Cl)cc(/C=N/c2ccc(C)c(Cl)c2)cc1Cl ZINC000006958079 563993925 /nfs/dbraw/zinc/99/39/25/563993925.db2.gz SJMIZYDUZUPLMB-AWQFTUOYSA-N 0 0 342.653 6.105 40 30 EKEBRN CCOc1c(Cl)cc(/C=N/c2ccc(C)c(Cl)c2)cc1OC ZINC000006958085 563993916 /nfs/dbraw/zinc/99/39/16/563993916.db2.gz QMZTXUSEVITPMD-KEBDBYFISA-N 0 0 338.234 5.460 40 30 EKEBRN CCOc1c(Cl)cc(/C=N/c2cccc(Cl)c2C)cc1Cl ZINC000006958131 564126366 /nfs/dbraw/zinc/12/63/66/564126366.db2.gz CRKBIJIUIZJYIL-AWQFTUOYSA-N 0 0 342.653 6.105 40 30 EKEBRN CCOc1c(Cl)cc(/C=N/c2cccc(Cl)c2C)cc1OC ZINC000006958136 564126353 /nfs/dbraw/zinc/12/63/53/564126353.db2.gz QPMLVSAFUOKTFT-KEBDBYFISA-N 0 0 338.234 5.460 40 30 EKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OC ZINC000006959154 564126369 /nfs/dbraw/zinc/12/63/69/564126369.db2.gz SSOWAYBVHSBGRO-KEBDBYFISA-N 0 0 338.234 5.460 40 30 EKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OC ZINC000006959159 564126347 /nfs/dbraw/zinc/12/63/47/564126347.db2.gz CRUIWPFIXFDOKR-KEBDBYFISA-N 0 0 338.234 5.460 40 30 EKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OC ZINC000006959181 563993963 /nfs/dbraw/zinc/99/39/63/563993963.db2.gz MOYQUBCQZCDLQV-KEBDBYFISA-N 0 0 338.234 5.460 40 30 EKEBRN C#CCOc1c(Cl)cc(/C=N/c2cc(C)ccc2C)cc1OCC ZINC000006959285 563993955 /nfs/dbraw/zinc/99/39/55/563993955.db2.gz SGKQIOYCWLUDBD-LPYMAVHISA-N 0 0 341.838 5.118 40 30 EKEBRN C#CCOc1c(Cl)cc(/C=N/c2ccc(C)c(C)c2)cc1OCC ZINC000006959291 563993944 /nfs/dbraw/zinc/99/39/44/563993944.db2.gz JXNQSGROQHPLPB-LPYMAVHISA-N 0 0 341.838 5.118 40 30 EKEBRN C#CCOc1c(Cl)cc(/C=N/c2ccc(C)cc2C)cc1OCC ZINC000006959301 563993951 /nfs/dbraw/zinc/99/39/51/563993951.db2.gz DDBZXMNUDJWMRB-LPYMAVHISA-N 0 0 341.838 5.118 40 30 EKEBRN C#CCOc1c(Cl)cc(/C=N/c2cccc(C)c2C)cc1OCC ZINC000006959305 563993942 /nfs/dbraw/zinc/99/39/42/563993942.db2.gz RYRFIJDKBQIATN-LPYMAVHISA-N 0 0 341.838 5.118 40 30 EKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCC ZINC000006959660 564126340 /nfs/dbraw/zinc/12/63/40/564126340.db2.gz ZPNHMQGXZMSVIZ-CIAFOILYSA-N 0 0 331.843 5.505 40 30 EKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCC ZINC000006959668 564126370 /nfs/dbraw/zinc/12/63/70/564126370.db2.gz YNAVKSBPSDXAOU-CIAFOILYSA-N 0 0 331.843 5.505 40 30 EKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCC ZINC000006959687 564126360 /nfs/dbraw/zinc/12/63/60/564126360.db2.gz VRRJQCFOARXSOQ-CIAFOILYSA-N 0 0 331.843 5.505 40 30 EKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCC ZINC000006959691 564126357 /nfs/dbraw/zinc/12/63/57/564126357.db2.gz JNDRXCTYBRHIJL-CIAFOILYSA-N 0 0 331.843 5.505 40 30 EKEBRN C=CCOc1c(Cl)cc(/C=N/c2cc(C)ccc2C)cc1OCC ZINC000006959770 563993971 /nfs/dbraw/zinc/99/39/71/563993971.db2.gz SUIXXODYGNAXJP-LPYMAVHISA-N 0 0 343.854 5.671 40 30 EKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc(C)c(C)c2)cc1OCC ZINC000006959778 563993981 /nfs/dbraw/zinc/99/39/81/563993981.db2.gz GEGQZRVLRGPBCW-LPYMAVHISA-N 0 0 343.854 5.671 40 30 EKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc(C)cc2)cc1OCC ZINC000006959785 563993965 /nfs/dbraw/zinc/99/39/65/563993965.db2.gz ZUYRNWQBBXOHCE-FYJGNVAPSA-N 0 0 329.827 5.363 40 30 EKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc(OC)cc2)cc1OCC ZINC000006959788 563993980 /nfs/dbraw/zinc/99/39/80/563993980.db2.gz JKENSKLCXSTMAD-FYJGNVAPSA-N 0 0 345.826 5.063 40 30 EKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc(C)cc2C)cc1OCC ZINC000006959792 563993994 /nfs/dbraw/zinc/99/39/94/563993994.db2.gz WWUULNNAAHBYGY-LPYMAVHISA-N 0 0 343.854 5.671 40 30 EKEBRN C=CCOc1c(Cl)cc(/C=N/c2cccc(C)c2C)cc1OCC ZINC000006959795 563993988 /nfs/dbraw/zinc/99/39/88/563993988.db2.gz ZUONUUYEQCGYEW-LPYMAVHISA-N 0 0 343.854 5.671 40 30 EKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccccc2C)cc1OCC ZINC000006959805 563993984 /nfs/dbraw/zinc/99/39/84/563993984.db2.gz IFDPNQNHANORJA-FYJGNVAPSA-N 0 0 329.827 5.363 40 30 EKEBRN C=CCOc1c(Cl)cc(CNc2ccc(F)cc2)cc1OCC ZINC000006959819 563993986 /nfs/dbraw/zinc/99/39/86/563993986.db2.gz KDLBVTQYKMIVNE-UHFFFAOYSA-N 0 0 335.806 5.055 40 30 EKEBRN CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OC ZINC000006960444 564126388 /nfs/dbraw/zinc/12/63/88/564126388.db2.gz ACOQUOIUSFMYKT-XQNSMLJCSA-N 0 0 347.414 5.637 40 30 EKEBRN C=CCOc1ccc(/C=N/c2cc(Cl)ccc2C)cc1OCC ZINC000006961084 564126377 /nfs/dbraw/zinc/12/63/77/564126377.db2.gz DHEPMUMFIKTKPF-FYJGNVAPSA-N 0 0 329.827 5.363 40 30 EKEBRN C=CCOc1ccc(/C=N/c2ccc(C)c(Cl)c2)cc1OCC ZINC000006961089 564126397 /nfs/dbraw/zinc/12/63/97/564126397.db2.gz BNTGZWLJMZNRFF-FYJGNVAPSA-N 0 0 329.827 5.363 40 30 EKEBRN C=CCOc1ccc(/C=N/c2cccc(Cl)c2C)cc1OCC ZINC000006961106 563994062 /nfs/dbraw/zinc/99/40/62/563994062.db2.gz XBSCNXVWGQGUIJ-FYJGNVAPSA-N 0 0 329.827 5.363 40 30 EKEBRN CCOc1cc(/C=N/c2ccccc2)ccc1OCc1ccc(C)cc1 ZINC000006961248 564126381 /nfs/dbraw/zinc/12/63/81/564126381.db2.gz QBDIGJZTOYSHLI-LFVJCYFKSA-N 0 0 345.442 5.723 40 30 EKEBRN CCOc1cc(/C=N/c2ccccc2)ccc1OCc1ccc(F)cc1 ZINC000006961337 564126406 /nfs/dbraw/zinc/12/64/06/564126406.db2.gz LOTXACSTKLCCAY-BUVRLJJBSA-N 0 0 349.405 5.554 40 30 EKEBRN CCOc1cc(/C=N/c2ccccc2)ccc1OCc1cccc(F)c1 ZINC000006961465 564126385 /nfs/dbraw/zinc/12/63/85/564126385.db2.gz ZSKOHMWPCGLRDU-BUVRLJJBSA-N 0 0 349.405 5.554 40 30 EKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccccc1 ZINC000006961522 564126396 /nfs/dbraw/zinc/12/63/96/564126396.db2.gz IYIJMXFNSKHGIQ-LFVJCYFKSA-N 0 0 345.442 5.723 40 30 EKEBRN CCOc1cc(/C=N/c2ccccc2C)ccc1OCc1ccccc1 ZINC000006961535 564126386 /nfs/dbraw/zinc/12/63/86/564126386.db2.gz JVPSRYXQYJMAPP-LFVJCYFKSA-N 0 0 345.442 5.723 40 30 EKEBRN CCOc1cc(/C=N/c2ccccc2)ccc1OCc1ccccc1F ZINC000006961639 564126418 /nfs/dbraw/zinc/12/64/18/564126418.db2.gz RIDUBMQETOKRFA-BUVRLJJBSA-N 0 0 349.405 5.554 40 30 EKEBRN C=CCOc1ccc2ccccc2c1/C=N/c1ccc(OCC)cc1 ZINC000006962084 564126437 /nfs/dbraw/zinc/12/64/37/564126437.db2.gz WEOQFTFARBXDOW-XQNSMLJCSA-N 0 0 331.415 5.554 40 30 EKEBRN C#CCOc1c(Cl)cc(/C=N/c2ccc(OCC)cc2)cc1Cl ZINC000006962176 564126427 /nfs/dbraw/zinc/12/64/27/564126427.db2.gz IYAIRHAWWBYATN-CIAFOILYSA-N 0 0 348.229 5.155 40 30 EKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCC)c(Cl)c2)cc1 ZINC000006962245 564126423 /nfs/dbraw/zinc/12/64/23/564126423.db2.gz KROGLVKQUYJULN-RGVLZGJSSA-N 0 0 338.234 5.541 40 30 EKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCC)c(OCC)c2)cc1 ZINC000006962254 564126422 /nfs/dbraw/zinc/12/64/22/564126422.db2.gz CWGHRVIVKUNFNZ-FYJGNVAPSA-N 0 0 347.842 5.287 40 30 EKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc(OCC)cc2)cc1OC ZINC000006962283 564126430 /nfs/dbraw/zinc/12/64/30/564126430.db2.gz WOIYYBIJEBZBSV-FYJGNVAPSA-N 0 0 345.826 5.063 40 30 EKEBRN CCOc1ccc(/N=C/c2ccc(OCc3ccc(C)cc3)cc2)cc1 ZINC000006962565 564126445 /nfs/dbraw/zinc/12/64/45/564126445.db2.gz XTNSLJXIWPADCB-LFVJCYFKSA-N 0 0 345.442 5.723 40 30 EKEBRN CCOc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 ZINC000006962571 564126446 /nfs/dbraw/zinc/12/64/46/564126446.db2.gz OUKZPUHFXOQGHW-BUVRLJJBSA-N 0 0 349.405 5.554 40 30 EKEBRN CCOc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)cc2)cc1 ZINC000006962580 564126456 /nfs/dbraw/zinc/12/64/56/564126456.db2.gz XBUTWJATCRCMIJ-BUVRLJJBSA-N 0 0 349.405 5.554 40 30 EKEBRN CCOc1ccc(/N=C/c2ccc(OCc3ccccc3F)cc2)cc1 ZINC000006962586 564126453 /nfs/dbraw/zinc/12/64/53/564126453.db2.gz KURAYXPGHYOCNT-BUVRLJJBSA-N 0 0 349.405 5.554 40 30 EKEBRN CCOc1ccc(/N=C/c2ccccc2OCc2ccc(C)cc2)cc1 ZINC000006962612 564126443 /nfs/dbraw/zinc/12/64/43/564126443.db2.gz VMDFXWVJGRNQMK-LFVJCYFKSA-N 0 0 345.442 5.723 40 30 EKEBRN CCOc1ccc(/N=C/c2ccccc2OCc2ccc(F)cc2)cc1 ZINC000006962618 564126455 /nfs/dbraw/zinc/12/64/55/564126455.db2.gz JEZOFKYILQLVQS-BUVRLJJBSA-N 0 0 349.405 5.554 40 30 EKEBRN CCOc1ccc(/N=C/c2ccccc2OCc2cccc(F)c2)cc1 ZINC000006962627 564126444 /nfs/dbraw/zinc/12/64/44/564126444.db2.gz NTLXOTRBXLTSIT-BUVRLJJBSA-N 0 0 349.405 5.554 40 30 EKEBRN CCOc1ccc(/N=C/c2ccccc2OCc2ccccc2F)cc1 ZINC000006962632 564126461 /nfs/dbraw/zinc/12/64/61/564126461.db2.gz YHMZXMDXEYLXSE-BUVRLJJBSA-N 0 0 349.405 5.554 40 30 EKEBRN CCOc1ccc(Br)cc1/C=N/c1cc(C)ccc1C ZINC000006963854 564126442 /nfs/dbraw/zinc/12/64/42/564126442.db2.gz ATUJAQNDMFKRDW-YBFXNURJSA-N 0 0 332.241 5.215 40 30 EKEBRN CCOc1ccc(Br)cc1/C=N/c1cccc(C)c1C ZINC000006963882 564126467 /nfs/dbraw/zinc/12/64/67/564126467.db2.gz XKTBGUOUMJVUFA-YBFXNURJSA-N 0 0 332.241 5.215 40 30 EKEBRN CCOc1ccc(/C=N/c2cc(C)ccc2C)cc1Br ZINC000006963904 564126454 /nfs/dbraw/zinc/12/64/54/564126454.db2.gz ZNXLCOVELBGUMY-YBFXNURJSA-N 0 0 332.241 5.215 40 30 EKEBRN CCOc1ccc(/C=N/c2ccc(C)c(C)c2)cc1Br ZINC000006963907 563994155 /nfs/dbraw/zinc/99/41/55/563994155.db2.gz SIAPICWRQNYTAQ-YBFXNURJSA-N 0 0 332.241 5.215 40 30 EKEBRN CCOc1ccc(/C=N/c2ccc(C)cc2C)cc1Br ZINC000006963915 563994151 /nfs/dbraw/zinc/99/41/51/563994151.db2.gz KRTZCOZNNNODCD-YBFXNURJSA-N 0 0 332.241 5.215 40 30 EKEBRN CCOc1ccc(/C=N/c2cccc(C)c2C)cc1Br ZINC000006963916 563994133 /nfs/dbraw/zinc/99/41/33/563994133.db2.gz GNHRZCIUDLNFME-YBFXNURJSA-N 0 0 332.241 5.215 40 30 EKEBRN CCOc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OC ZINC000006964102 564126469 /nfs/dbraw/zinc/12/64/69/564126469.db2.gz UQHJOPGXUQKLFZ-XQNSMLJCSA-N 0 0 347.414 5.637 40 30 EKEBRN C(=N/c1ccc(Oc2ccccc2)cc1)\c1ccc(N2CCCC2)cc1 ZINC000007095860 564126576 /nfs/dbraw/zinc/12/65/76/564126576.db2.gz AHRLLGNPCHSTPT-HKOYGPOVSA-N 0 0 342.442 5.830 40 30 EKEBRN O=C1CCCC2=C1[C@@H](c1ccccc1Cl)Sc1ccccc1N2 ZINC000007449823 564015535 /nfs/dbraw/zinc/01/55/35/564015535.db2.gz YMNMCHYRSSQMOF-LJQANCHMSA-N 0 0 341.863 5.606 40 30 EKEBRN O=C1CCCC2=C1[C@H](c1ccccc1Cl)Sc1ccccc1N2 ZINC000007449835 564015529 /nfs/dbraw/zinc/01/55/29/564015529.db2.gz YMNMCHYRSSQMOF-IBGZPJMESA-N 0 0 341.863 5.606 40 30 EKEBRN CC1=Nc2ccccc2N=C2C[C@@H](c3ccc(C(C)C)cc3)CC(=O)C21 ZINC000007496260 564015591 /nfs/dbraw/zinc/01/55/91/564015591.db2.gz RXSSXSQCWRJWML-GOSISDBHSA-N 0 0 344.458 5.729 40 30 EKEBRN CC1=Nc2ccccc2N=C2C[C@H](c3ccc(C(C)C)cc3)CC(=O)C21 ZINC000007496263 257864857 /nfs/dbraw/zinc/86/48/57/257864857.db2.gz RXSSXSQCWRJWML-SFHVURJKSA-N 0 0 344.458 5.729 40 30 EKEBRN CC(=NNc1ccccc1C(F)(F)F)c1cc(Cl)ccc1Cl ZINC000007735724 563612354 /nfs/dbraw/zinc/61/23/54/563612354.db2.gz CNZSLYJXVBQHGZ-ZVBGSRNCSA-N 0 0 347.167 5.848 40 30 EKEBRN CCCOc1ccc2ccccc2c1/C=C/C(=O)c1ccc(OC)cc1 ZINC000007939568 564129864 /nfs/dbraw/zinc/12/98/64/564129864.db2.gz AKHVMOHCKFNEJC-BUHFOSPRSA-N 0 0 346.426 5.533 40 30 EKEBRN COc1ccc(C(=O)/C=C/c2c(OC(C)C)ccc3ccccc32)cc1 ZINC000007939569 564129856 /nfs/dbraw/zinc/12/98/56/564129856.db2.gz FJRPCIMNBHSQAU-BUHFOSPRSA-N 0 0 346.426 5.532 40 30 EKEBRN CC(=NNc1cc(C(F)(F)F)ccc1Cl)c1ccccc1F ZINC000007986965 210876411 /nfs/dbraw/zinc/87/64/11/210876411.db2.gz IHPADXIFYGHAQJ-ZVBGSRNCSA-N 0 0 330.712 5.334 40 30 EKEBRN C=CCOc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000008041377 564126993 /nfs/dbraw/zinc/12/69/93/564126993.db2.gz SNKNMJGKLXQFMR-UHFFFAOYSA-N 0 0 345.398 5.296 40 30 EKEBRN C=CCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000008073539 564015978 /nfs/dbraw/zinc/01/59/78/564015978.db2.gz LSSIGRVIYRTYMM-UHFFFAOYSA-N 0 0 345.398 5.296 40 30 EKEBRN C#CCOc1c(Cl)cc(/C=N/c2ccc(CC)cc2)cc1Cl ZINC000008084284 563996020 /nfs/dbraw/zinc/99/60/20/563996020.db2.gz SIMXYJAIRRDFOU-CIAFOILYSA-N 0 0 332.230 5.318 40 30 EKEBRN C#CCOc1c(Cl)cc(/C=N/c2ccc(CC)cc2)cc1OCC ZINC000008084296 563996011 /nfs/dbraw/zinc/99/60/11/563996011.db2.gz NRGIHBFDUMDYRX-HYARGMPZSA-N 0 0 341.838 5.064 40 30 EKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OCC ZINC000008084330 563996009 /nfs/dbraw/zinc/99/60/09/563996009.db2.gz BGELPWVELAEVFD-FYJGNVAPSA-N 0 0 331.843 5.450 40 30 EKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc(CC)cc2)cc1Cl ZINC000008084335 563995995 /nfs/dbraw/zinc/99/59/95/563995995.db2.gz AXIAAFDOAZMMLO-CIAFOILYSA-N 0 0 334.246 5.871 40 30 EKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc(CC)cc2)cc1OC ZINC000008084341 563996049 /nfs/dbraw/zinc/99/60/49/563996049.db2.gz FRUXEAFOMDNNNP-FYJGNVAPSA-N 0 0 329.827 5.226 40 30 EKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc(CC)cc2)cc1OCC ZINC000008084351 563996058 /nfs/dbraw/zinc/99/60/58/563996058.db2.gz IINREHLCWWHGDA-HYARGMPZSA-N 0 0 343.854 5.617 40 30 EKEBRN CCOc1ccc(Br)cc1/C=N/c1ccc(CC)cc1 ZINC000008084494 564127073 /nfs/dbraw/zinc/12/70/73/564127073.db2.gz CCAFECKJGJWZJX-XDHOZWIPSA-N 0 0 332.241 5.161 40 30 EKEBRN C=CCOc1ccc(Br)cc1/C=N/c1ccc(CC)cc1 ZINC000008084507 564015962 /nfs/dbraw/zinc/01/59/62/564015962.db2.gz FPJYGISEAXPTFE-DEDYPNTBSA-N 0 0 344.252 5.327 40 30 EKEBRN CCc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2)cc1 ZINC000008084563 564127069 /nfs/dbraw/zinc/12/70/69/564127069.db2.gz PASVJOPXPXDAQR-BUVRLJJBSA-N 0 0 349.861 6.232 40 30 EKEBRN CCOc1ccc(/C=N/c2ccc(CC)cc2)cc1Br ZINC000008084601 564127055 /nfs/dbraw/zinc/12/70/55/564127055.db2.gz WIBWBPFKHJDDEY-XDHOZWIPSA-N 0 0 332.241 5.161 40 30 EKEBRN C=CCOc1ccc(/C=N/c2ccc(CC)cc2)cc1Br ZINC000008084618 564127050 /nfs/dbraw/zinc/12/70/50/564127050.db2.gz HKGYSUOSUYSXOR-DEDYPNTBSA-N 0 0 344.252 5.327 40 30 EKEBRN CCc1ccc(/N=C/c2ccc(OCc3ccccc3)c(Cl)c2)cc1 ZINC000008084729 564127060 /nfs/dbraw/zinc/12/70/60/564127060.db2.gz RTEHPWSICJDXPL-BUVRLJJBSA-N 0 0 349.861 6.232 40 30 EKEBRN CCc1ccc(/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000008084831 564127056 /nfs/dbraw/zinc/12/70/56/564127056.db2.gz JSFNDAKHHLAUHZ-LFVJCYFKSA-N 0 0 345.442 5.587 40 30 EKEBRN CCc1ccc(/N=C/c2ccc(OCc3ccc(C)cc3)cc2)cc1 ZINC000008084972 564127074 /nfs/dbraw/zinc/12/70/74/564127074.db2.gz TUNSCDQHVHYOGF-LFVJCYFKSA-N 0 0 329.443 5.887 40 30 EKEBRN CCc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 ZINC000008084980 564127077 /nfs/dbraw/zinc/12/70/77/564127077.db2.gz LPSNBEYAUJMRCX-BUVRLJJBSA-N 0 0 349.861 6.232 40 30 EKEBRN CCc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 ZINC000008084984 564127072 /nfs/dbraw/zinc/12/70/72/564127072.db2.gz WLZVAQJMEKRJSC-BUVRLJJBSA-N 0 0 333.406 5.718 40 30 EKEBRN CCc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1 ZINC000008084996 564127063 /nfs/dbraw/zinc/12/70/63/564127063.db2.gz CNNNTYBETUVWIZ-BUVRLJJBSA-N 0 0 349.861 6.232 40 30 EKEBRN CCc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)cc2)cc1 ZINC000008084998 564015984 /nfs/dbraw/zinc/01/59/84/564015984.db2.gz YNFHYKLBUCUEJM-BUVRLJJBSA-N 0 0 333.406 5.718 40 30 EKEBRN CCc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000008085004 564127067 /nfs/dbraw/zinc/12/70/67/564127067.db2.gz GYQKDCRCLCOCCK-BUVRLJJBSA-N 0 0 349.861 6.232 40 30 EKEBRN CCc1ccc(/N=C/c2ccc(OCc3ccccc3F)cc2)cc1 ZINC000008085008 564127053 /nfs/dbraw/zinc/12/70/53/564127053.db2.gz HZLGVFFQFIUFME-BUVRLJJBSA-N 0 0 333.406 5.718 40 30 EKEBRN CCc1ccc(/N=C/c2ccccc2OCc2ccc(C)cc2)cc1 ZINC000008085091 564127066 /nfs/dbraw/zinc/12/70/66/564127066.db2.gz AJEODBMTQDABID-LFVJCYFKSA-N 0 0 329.443 5.887 40 30 EKEBRN CCc1ccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000008085095 564127058 /nfs/dbraw/zinc/12/70/58/564127058.db2.gz IBQYUVXXSQSKMA-BUVRLJJBSA-N 0 0 349.861 6.232 40 30 EKEBRN CCc1ccc(/N=C/c2ccccc2OCc2ccc(F)cc2)cc1 ZINC000008085099 564127054 /nfs/dbraw/zinc/12/70/54/564127054.db2.gz WYMRXEWRRQQNFG-BUVRLJJBSA-N 0 0 333.406 5.718 40 30 EKEBRN CCc1ccc(/N=C/c2ccccc2OCc2cccc(Cl)c2)cc1 ZINC000008085108 564127051 /nfs/dbraw/zinc/12/70/51/564127051.db2.gz ZTJYTDYTFIOKNP-BUVRLJJBSA-N 0 0 349.861 6.232 40 30 EKEBRN CCc1ccc(/N=C/c2ccccc2OCc2cccc(F)c2)cc1 ZINC000008085110 564127070 /nfs/dbraw/zinc/12/70/70/564127070.db2.gz DPXVZLFEZMDUSS-BUVRLJJBSA-N 0 0 333.406 5.718 40 30 EKEBRN CCc1ccc(/N=C/c2ccccc2OCc2ccccc2Cl)cc1 ZINC000008085119 564127079 /nfs/dbraw/zinc/12/70/79/564127079.db2.gz YMLKTZUYAFNYHF-BUVRLJJBSA-N 0 0 349.861 6.232 40 30 EKEBRN CCc1ccc(/N=C/c2ccccc2OCc2ccccc2F)cc1 ZINC000008085124 564127071 /nfs/dbraw/zinc/12/70/71/564127071.db2.gz TWTGHZMVPNHPCW-BUVRLJJBSA-N 0 0 333.406 5.718 40 30 EKEBRN C=CCOc1c(Cl)cc(CNc2ccccc2Cl)cc1OC ZINC000008111077 564127127 /nfs/dbraw/zinc/12/71/27/564127127.db2.gz ZLCGLOXSBJNFKZ-UHFFFAOYSA-N 0 0 338.234 5.179 40 30 EKEBRN COc1cc(/C=N/c2ccccc2)ccc1OCc1ccc(F)cc1 ZINC000008113537 564127131 /nfs/dbraw/zinc/12/71/31/564127131.db2.gz WLBGRGKLJMNIHE-OEAKJJBVSA-N 0 0 335.378 5.164 40 30 EKEBRN COc1cc(/C=N/c2ccccc2)ccc1OCc1cccc(F)c1 ZINC000008113647 564127129 /nfs/dbraw/zinc/12/71/29/564127129.db2.gz XVSAULRJADFWSO-OEAKJJBVSA-N 0 0 335.378 5.164 40 30 EKEBRN COc1cc(/C=N/c2ccccc2)ccc1OCc1ccccc1F ZINC000008113931 564127124 /nfs/dbraw/zinc/12/71/24/564127124.db2.gz MDNXRRXXTPAEPX-OEAKJJBVSA-N 0 0 335.378 5.164 40 30 EKEBRN COc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)c(OC)c1 ZINC000008115050 564127113 /nfs/dbraw/zinc/12/71/13/564127113.db2.gz AEJMOYACODQTEF-PXLXIMEGSA-N 0 0 333.387 5.247 40 30 EKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc(OC)cc2)cc1Cl ZINC000008116415 564127138 /nfs/dbraw/zinc/12/71/38/564127138.db2.gz UAMBCGMHIYAYJA-RGVLZGJSSA-N 0 0 336.218 5.317 40 30 EKEBRN COc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1 ZINC000008116617 564127117 /nfs/dbraw/zinc/12/71/17/564127117.db2.gz AURAYFAJLZVRKK-OEAKJJBVSA-N 0 0 335.378 5.164 40 30 EKEBRN COc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)cc2)cc1 ZINC000008116628 564127116 /nfs/dbraw/zinc/12/71/16/564127116.db2.gz ZEFJLYDKISUZGD-OEAKJJBVSA-N 0 0 335.378 5.164 40 30 EKEBRN COc1ccc(/N=C/c2ccc(OCc3ccccc3F)cc2)cc1 ZINC000008116640 564127114 /nfs/dbraw/zinc/12/71/14/564127114.db2.gz FFTLIWOKDDFSHD-OEAKJJBVSA-N 0 0 335.378 5.164 40 30 EKEBRN COc1ccc(/N=C/c2ccccc2OCc2ccc(F)cc2)cc1 ZINC000008116660 564127141 /nfs/dbraw/zinc/12/71/41/564127141.db2.gz AZQDJBGZMQPCJT-OEAKJJBVSA-N 0 0 335.378 5.164 40 30 EKEBRN COc1ccc(/N=C/c2ccccc2OCc2cccc(F)c2)cc1 ZINC000008116674 564127115 /nfs/dbraw/zinc/12/71/15/564127115.db2.gz NRHBXHDTWOXZOZ-OEAKJJBVSA-N 0 0 335.378 5.164 40 30 EKEBRN COc1ccc(/N=C/c2ccccc2OCc2ccccc2F)cc1 ZINC000008116679 563996396 /nfs/dbraw/zinc/99/63/96/563996396.db2.gz JAPOKEVXISKGDU-OEAKJJBVSA-N 0 0 335.378 5.164 40 30 EKEBRN COc1ccc(Cl)cc1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000008160054 564127167 /nfs/dbraw/zinc/12/71/67/564127167.db2.gz JAPLCEBATUTGQH-HYARGMPZSA-N 0 0 337.806 5.892 40 30 EKEBRN COc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Cl ZINC000008161507 563996425 /nfs/dbraw/zinc/99/64/25/563996425.db2.gz YXHFJCJHBFILTH-HYARGMPZSA-N 0 0 337.806 5.892 40 30 EKEBRN C#CCOc1ccc2ccccc2c1/C=N/c1cccc(Cl)c1C ZINC000008277699 563996945 /nfs/dbraw/zinc/99/69/45/563996945.db2.gz RFVMZFZZTOUPAG-OEAKJJBVSA-N 0 0 333.818 5.564 40 30 EKEBRN C=CCOc1ccc2ccccc2c1/C=N/c1cccc(Cl)c1C ZINC000008277707 563997336 /nfs/dbraw/zinc/99/73/36/563997336.db2.gz DTOHIXGCDAKKGJ-OEAKJJBVSA-N 0 0 335.834 6.117 40 30 EKEBRN COc1c(Cl)cc(/C=N/c2cccc(Cl)c2C)cc1Cl ZINC000008277747 564127183 /nfs/dbraw/zinc/12/71/83/564127183.db2.gz SDAVHDNEKNHYLX-UFWORHAWSA-N 0 0 328.626 5.714 40 30 EKEBRN C#CCOc1c(Cl)cc(/C=N/c2cccc(Cl)c2C)cc1OC ZINC000008277759 564127185 /nfs/dbraw/zinc/12/71/85/564127185.db2.gz OBSQHUWSBINNRB-SRZZPIQSSA-N 0 0 348.229 5.073 40 30 EKEBRN COc1ccc(Br)cc1/C=N/c1cccc(Cl)c1C ZINC000008277788 564127197 /nfs/dbraw/zinc/12/71/97/564127197.db2.gz IIZSMGDKFXBVQO-GIJQJNRQSA-N 0 0 338.632 5.170 40 30 EKEBRN Cc1cc(NC=CC(=O)c2ccc(-c3ccccc3)cc2)ccc1F ZINC000008301254 564129848 /nfs/dbraw/zinc/12/98/48/564129848.db2.gz DNGCYANYDDSQAB-BUHFOSPRSA-N 0 0 331.390 5.610 40 30 EKEBRN Clc1cc(Cl)cc(/C=N/N=C/c2cc(Cl)cc(Cl)c2)c1 ZINC000008306386 564035247 /nfs/dbraw/zinc/03/52/47/564035247.db2.gz SGTASRZEJCNRDB-OKXCLTPOSA-N 0 0 346.044 5.753 40 30 EKEBRN C#CCOc1c(Cl)cc(/C=N/c2cc(C)ccc2C)cc1Cl ZINC000008367841 564127283 /nfs/dbraw/zinc/12/72/83/564127283.db2.gz MCNQGVOWAAJETB-SRZZPIQSSA-N 0 0 332.230 5.373 40 30 EKEBRN C=CCOc1c(Cl)cc(/C=N/c2cc(C)ccc2C)cc1Cl ZINC000008367863 564127278 /nfs/dbraw/zinc/12/72/78/564127278.db2.gz XRIYMGJFASHZHQ-SRZZPIQSSA-N 0 0 334.246 5.926 40 30 EKEBRN C=CCOc1c(Cl)cc(/C=N/c2cc(C)ccc2C)cc1OC ZINC000008367865 564127297 /nfs/dbraw/zinc/12/72/97/564127297.db2.gz FMBWHRJDDDFVMW-CIAFOILYSA-N 0 0 329.827 5.281 40 30 EKEBRN C=CCOc1ccc(Br)cc1/C=N/c1cc(C)ccc1C ZINC000008367955 564127286 /nfs/dbraw/zinc/12/72/86/564127286.db2.gz GVIMKJXYGNXIAH-UDWIEESQSA-N 0 0 344.252 5.381 40 30 EKEBRN Cc1ccc(C)c(/N=C/c2cc(Cl)ccc2OCc2ccccc2)c1 ZINC000008367988 564127268 /nfs/dbraw/zinc/12/72/68/564127268.db2.gz QYVQSCOHILCKOU-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN C=CCOc1ccc(/C=N/c2cc(C)ccc2C)cc1Br ZINC000008368006 564127277 /nfs/dbraw/zinc/12/72/77/564127277.db2.gz BRNLDAGXTLYFCP-UDWIEESQSA-N 0 0 344.252 5.381 40 30 EKEBRN Cc1ccc(C)c(/N=C/c2ccc(OCc3ccccc3)c(Cl)c2)c1 ZINC000008368043 564127282 /nfs/dbraw/zinc/12/72/82/564127282.db2.gz STKQEDMHGGLCCK-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN Cc1ccc(C)c(/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c1 ZINC000008368111 564127279 /nfs/dbraw/zinc/12/72/79/564127279.db2.gz YTROKKLYYQQBFC-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN Cc1ccc(C)c(/N=C/c2ccc(OCc3ccc(F)cc3)cc2)c1 ZINC000008368118 564127293 /nfs/dbraw/zinc/12/72/93/564127293.db2.gz MWRDHCZDRZFQLU-ZVHZXABRSA-N 0 0 333.406 5.772 40 30 EKEBRN Cc1ccc(C)c(/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c1 ZINC000008368132 563998026 /nfs/dbraw/zinc/99/80/26/563998026.db2.gz TZPXUOIUZQQTEO-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN Cc1ccc(C)c(/N=C/c2ccc(OCc3cccc(F)c3)cc2)c1 ZINC000008368136 563997997 /nfs/dbraw/zinc/99/79/97/563997997.db2.gz FEJFZWADNWSEST-ZVHZXABRSA-N 0 0 333.406 5.772 40 30 EKEBRN Cc1ccc(C)c(/N=C/c2ccc(OCc3ccccc3Cl)cc2)c1 ZINC000008368150 564127285 /nfs/dbraw/zinc/12/72/85/564127285.db2.gz GPFSXAROMBERTL-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN Cc1ccc(C)c(/N=C/c2ccc(OCc3ccccc3F)cc2)c1 ZINC000008368154 564127270 /nfs/dbraw/zinc/12/72/70/564127270.db2.gz NDHGQJUCDRREMG-ZVHZXABRSA-N 0 0 333.406 5.772 40 30 EKEBRN Cc1ccc(C)c(/N=C/c2ccccc2OCc2ccc(Cl)cc2)c1 ZINC000008368190 564127271 /nfs/dbraw/zinc/12/72/71/564127271.db2.gz IBWQXTJJDGQTKG-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN Cc1ccc(C)c(/N=C/c2ccccc2OCc2ccc(F)cc2)c1 ZINC000008368191 564127284 /nfs/dbraw/zinc/12/72/84/564127284.db2.gz WCSLWIKOMKUPNS-ZVHZXABRSA-N 0 0 333.406 5.772 40 30 EKEBRN Cc1ccc(C)c(/N=C/c2ccccc2OCc2cccc(Cl)c2)c1 ZINC000008368200 564127295 /nfs/dbraw/zinc/12/72/95/564127295.db2.gz WNIFWTGKJPOUOD-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN Cc1ccc(C)c(/N=C/c2ccccc2OCc2cccc(F)c2)c1 ZINC000008368203 563998077 /nfs/dbraw/zinc/99/80/77/563998077.db2.gz ISFDQXOBJMINAS-ZVHZXABRSA-N 0 0 333.406 5.772 40 30 EKEBRN Cc1ccc(C)c(/N=C/c2ccccc2OCc2ccccc2Cl)c1 ZINC000008368209 564127287 /nfs/dbraw/zinc/12/72/87/564127287.db2.gz WIEIBTBMOPAWTQ-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN Cc1ccc(C)c(/N=C/c2ccccc2OCc2ccccc2F)c1 ZINC000008368212 564127272 /nfs/dbraw/zinc/12/72/72/564127272.db2.gz SGXFCTHCPNMQDJ-ZVHZXABRSA-N 0 0 333.406 5.772 40 30 EKEBRN Cc1ccc(C)c(/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)c1 ZINC000008368244 564127294 /nfs/dbraw/zinc/12/72/94/564127294.db2.gz FBASIOKBFMFFSW-OYKKKHCWSA-N 0 0 349.861 6.286 40 30 EKEBRN Cc1ccc(C)c(/N=C\c2cccc(OCc3ccc(F)cc3)c2)c1 ZINC000008368246 564127281 /nfs/dbraw/zinc/12/72/81/564127281.db2.gz PREVYRMEOLIGAW-OYKKKHCWSA-N 0 0 333.406 5.772 40 30 EKEBRN Cc1ccc(C)c(/N=C\c2cccc(OCc3cccc(Cl)c3)c2)c1 ZINC000008368256 564127296 /nfs/dbraw/zinc/12/72/96/564127296.db2.gz YQRCIBWCQSGGDF-OYKKKHCWSA-N 0 0 349.861 6.286 40 30 EKEBRN Cc1ccc(C)c(/N=C\c2cccc(OCc3cccc(F)c3)c2)c1 ZINC000008368259 564127276 /nfs/dbraw/zinc/12/72/76/564127276.db2.gz DNRJPHCAKIBUIM-OYKKKHCWSA-N 0 0 333.406 5.772 40 30 EKEBRN C#CCOc1c(Cl)cc(/C=N/c2ccc(C)cc2C)cc1Cl ZINC000008368497 563998459 /nfs/dbraw/zinc/99/84/59/563998459.db2.gz VRSHFWXRPFXIDU-SRZZPIQSSA-N 0 0 332.230 5.373 40 30 EKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc(C)cc2C)cc1Cl ZINC000008368507 563998480 /nfs/dbraw/zinc/99/84/80/563998480.db2.gz WTSGYDPDAUMOOY-SRZZPIQSSA-N 0 0 334.246 5.926 40 30 EKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc(C)cc2C)cc1OC ZINC000008368510 563998456 /nfs/dbraw/zinc/99/84/56/563998456.db2.gz XYHZNWCRKDXFIA-CIAFOILYSA-N 0 0 329.827 5.281 40 30 EKEBRN C=CCOc1ccc(Br)cc1/C=N/c1ccc(C)cc1C ZINC000008368570 564127303 /nfs/dbraw/zinc/12/73/03/564127303.db2.gz JXBGKRFWSJKBGG-UDWIEESQSA-N 0 0 344.252 5.381 40 30 EKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2)c(C)c1 ZINC000008368604 564127331 /nfs/dbraw/zinc/12/73/31/564127331.db2.gz GYCLPRQJTUPSSK-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN C=CCOc1ccc(/C=N/c2ccc(C)cc2C)cc1Br ZINC000008368625 564127315 /nfs/dbraw/zinc/12/73/15/564127315.db2.gz BEHPYENIWKKPIT-UDWIEESQSA-N 0 0 344.252 5.381 40 30 EKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccccc3)c(Cl)c2)c(C)c1 ZINC000008368670 564127302 /nfs/dbraw/zinc/12/73/02/564127302.db2.gz YSYFCJYUBYBNEL-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c(C)c1 ZINC000008368736 564127313 /nfs/dbraw/zinc/12/73/13/564127313.db2.gz TWXUJHIMRQPPJH-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)cc2)c(C)c1 ZINC000008368742 564127308 /nfs/dbraw/zinc/12/73/08/564127308.db2.gz MWNMELHLRJIOOQ-ZVHZXABRSA-N 0 0 333.406 5.772 40 30 EKEBRN Cc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c(C)c1 ZINC000008368751 564127317 /nfs/dbraw/zinc/12/73/17/564127317.db2.gz ACQDGFFQRSPMMT-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN Cc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)cc2)c(C)c1 ZINC000008368754 564127312 /nfs/dbraw/zinc/12/73/12/564127312.db2.gz UTMQWHMSKYLLMO-ZVHZXABRSA-N 0 0 333.406 5.772 40 30 EKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)cc2)c(C)c1 ZINC000008368760 564127301 /nfs/dbraw/zinc/12/73/01/564127301.db2.gz KXFPTHRFKORTPT-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccccc3F)cc2)c(C)c1 ZINC000008368767 564127299 /nfs/dbraw/zinc/12/72/99/564127299.db2.gz CBYUCFSIPNBVLL-ZVHZXABRSA-N 0 0 333.406 5.772 40 30 EKEBRN Cc1ccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2)c(C)c1 ZINC000008368807 563999310 /nfs/dbraw/zinc/99/93/10/563999310.db2.gz DUYCWQRSUJYPAP-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN Cc1ccc(/N=C/c2ccccc2OCc2ccc(F)cc2)c(C)c1 ZINC000008368810 563999318 /nfs/dbraw/zinc/99/93/18/563999318.db2.gz MDHWKZDJBUYYQJ-ZVHZXABRSA-N 0 0 333.406 5.772 40 30 EKEBRN Cc1ccc(/N=C/c2ccccc2OCc2cccc(Cl)c2)c(C)c1 ZINC000008368821 564127322 /nfs/dbraw/zinc/12/73/22/564127322.db2.gz RUOGKTIAKFOAER-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN Cc1ccc(/N=C/c2ccccc2OCc2cccc(F)c2)c(C)c1 ZINC000008368823 564127316 /nfs/dbraw/zinc/12/73/16/564127316.db2.gz RHZIVDGDFOSBOZ-ZVHZXABRSA-N 0 0 333.406 5.772 40 30 EKEBRN Cc1ccc(/N=C/c2ccccc2OCc2ccccc2Cl)c(C)c1 ZINC000008368828 564127320 /nfs/dbraw/zinc/12/73/20/564127320.db2.gz DUUUYVVPPXFVPW-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN Cc1ccc(/N=C/c2ccccc2OCc2ccccc2F)c(C)c1 ZINC000008368830 564127300 /nfs/dbraw/zinc/12/73/00/564127300.db2.gz ZBBWFOQTYJKXMM-ZVHZXABRSA-N 0 0 333.406 5.772 40 30 EKEBRN C=CCOc1ccc(Br)cc1/C=N/c1ccc(C)cc1 ZINC000008371818 564127341 /nfs/dbraw/zinc/12/73/41/564127341.db2.gz GOYZTUUPPNGYJE-XDHOZWIPSA-N 0 0 330.225 5.073 40 30 EKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2)cc1 ZINC000008371836 564127346 /nfs/dbraw/zinc/12/73/46/564127346.db2.gz BJRBEYHCEXJBJI-OEAKJJBVSA-N 0 0 335.834 5.978 40 30 EKEBRN C=CCOc1ccc(/C=N/c2ccc(C)cc2)cc1Br ZINC000008371853 564127354 /nfs/dbraw/zinc/12/73/54/564127354.db2.gz SDZMDQMJPCISAI-XDHOZWIPSA-N 0 0 330.225 5.073 40 30 EKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccccc3)c(Cl)c2)cc1 ZINC000008371885 564127333 /nfs/dbraw/zinc/12/73/33/564127333.db2.gz NPSNNWABRLZKPG-OEAKJJBVSA-N 0 0 335.834 5.978 40 30 EKEBRN COc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccc(F)cc1 ZINC000008371900 564127348 /nfs/dbraw/zinc/12/73/48/564127348.db2.gz HIUNDUKREGCWBY-ZVHZXABRSA-N 0 0 349.405 5.472 40 30 EKEBRN COc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1cccc(F)c1 ZINC000008371908 564127355 /nfs/dbraw/zinc/12/73/55/564127355.db2.gz JFHHZJWAAONOCC-ZVHZXABRSA-N 0 0 349.405 5.472 40 30 EKEBRN COc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccccc1F ZINC000008371913 564127353 /nfs/dbraw/zinc/12/73/53/564127353.db2.gz LTNBSQNIOIMICM-ZVHZXABRSA-N 0 0 349.405 5.472 40 30 EKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000008371937 564127334 /nfs/dbraw/zinc/12/73/34/564127334.db2.gz HCJWLMHZYBBGMT-HYARGMPZSA-N 0 0 346.386 5.233 40 30 EKEBRN Cc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1 ZINC000008371945 564127356 /nfs/dbraw/zinc/12/73/56/564127356.db2.gz ZIVAJTVYWSDUOI-OEAKJJBVSA-N 0 0 335.834 5.978 40 30 EKEBRN Cc1ccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000008371982 564127344 /nfs/dbraw/zinc/12/73/44/564127344.db2.gz XLLOTDUQRZRTMN-OEAKJJBVSA-N 0 0 335.834 5.978 40 30 EKEBRN Cc1ccc(/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000008371985 564127337 /nfs/dbraw/zinc/12/73/37/564127337.db2.gz KJRPOCDIWAOGPA-HYARGMPZSA-N 0 0 346.386 5.233 40 30 EKEBRN Cc1ccc(/N=C/c2ccccc2OCc2cccc(Cl)c2)cc1 ZINC000008371988 564127357 /nfs/dbraw/zinc/12/73/57/564127357.db2.gz YJZXHTHQSUMUBO-OEAKJJBVSA-N 0 0 335.834 5.978 40 30 EKEBRN Cc1ccc(/N=C/c2ccccc2OCc2ccccc2Cl)cc1 ZINC000008371994 563999803 /nfs/dbraw/zinc/99/98/03/563999803.db2.gz NNJJIAIRQXVVIU-OEAKJJBVSA-N 0 0 335.834 5.978 40 30 EKEBRN Fc1ccccc1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000008380022 564129867 /nfs/dbraw/zinc/12/98/67/564129867.db2.gz ULZDVVRUKTZSLI-MFKUBSTISA-N 0 0 333.450 6.044 40 30 EKEBRN CCCCCCCC/C=C\CCCCCCCCOC[C@H](O)CO ZINC000008437482 210954364 /nfs/dbraw/zinc/95/43/64/210954364.db2.gz NRWMBHYHFFGEEC-VFCOFNOGSA-N 0 0 342.564 5.394 40 30 in-vitro EKEBRN CCCCCCCC/C=C\CCCCCCCCOC[C@@H](O)CO ZINC000008437483 564087261 /nfs/dbraw/zinc/08/72/61/564087261.db2.gz NRWMBHYHFFGEEC-YUQDSPFASA-N 0 0 342.564 5.394 40 30 in-vitro EKEBRN C=CCOc1ccc(NC(=O)c2ccccc2SC(C)C)cc1 ZINC000008492466 564016249 /nfs/dbraw/zinc/01/62/49/564016249.db2.gz OKBLPRUDHIBUPV-UHFFFAOYSA-N 0 0 327.449 5.004 40 30 EKEBRN C=CCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000008554747 564016359 /nfs/dbraw/zinc/01/63/59/564016359.db2.gz UMOPWYYKWPCJKF-UHFFFAOYSA-N 0 0 329.399 5.171 40 30 EKEBRN C=C(C)COc1cccc(C(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000008570603 564072510 /nfs/dbraw/zinc/07/25/10/564072510.db2.gz GBNGQYPRVVRAJD-UHFFFAOYSA-N 0 0 336.218 5.201 40 30 EKEBRN C=C(C)COc1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000008570604 564072537 /nfs/dbraw/zinc/07/25/37/564072537.db2.gz CCCRZPOPYYXEFR-UHFFFAOYSA-N 0 0 336.218 5.201 40 30 EKEBRN C=C(C)COc1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000008570661 210966797 /nfs/dbraw/zinc/96/67/97/210966797.db2.gz WLRUIDIUYAXJKR-UHFFFAOYSA-N 0 0 336.218 5.201 40 30 EKEBRN Cc1ccccc1/C=N\c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000008570793 564127564 /nfs/dbraw/zinc/12/75/64/564127564.db2.gz UHDXSHIVJWWSDZ-YOBACFSGSA-N 0 0 336.504 5.830 40 30 EKEBRN C=CCOc1ccc(Br)cc1/C=N/c1ccccc1C ZINC000008570843 564127545 /nfs/dbraw/zinc/12/75/45/564127545.db2.gz JQOWEOSAZXTFQN-XDHOZWIPSA-N 0 0 330.225 5.073 40 30 EKEBRN Cc1ccccc1/N=C/c1cc(Cl)ccc1OCc1ccccc1 ZINC000008570855 564127561 /nfs/dbraw/zinc/12/75/61/564127561.db2.gz PPNNDMVIJOQICG-OEAKJJBVSA-N 0 0 335.834 5.978 40 30 EKEBRN C=CCOc1ccc(/C=N/c2ccccc2C)cc1Br ZINC000008570862 564127560 /nfs/dbraw/zinc/12/75/60/564127560.db2.gz OXGJPNVTORDTSA-XDHOZWIPSA-N 0 0 330.225 5.073 40 30 EKEBRN Cc1ccccc1/N=C/c1ccc(OCc2ccccc2)c(Cl)c1 ZINC000008570881 564127559 /nfs/dbraw/zinc/12/75/59/564127559.db2.gz HDGYIZPGAYHWBA-OEAKJJBVSA-N 0 0 335.834 5.978 40 30 EKEBRN COc1cc(/C=N/c2ccccc2C)ccc1OCc1ccc(F)cc1 ZINC000008570889 564127554 /nfs/dbraw/zinc/12/75/54/564127554.db2.gz CMFJEJBJTOTSRQ-ZVHZXABRSA-N 0 0 349.405 5.472 40 30 EKEBRN COc1cc(/C=N/c2ccccc2C)ccc1OCc1cccc(F)c1 ZINC000008570893 564013335 /nfs/dbraw/zinc/01/33/35/564013335.db2.gz AEHAQRRLQPQCTG-ZVHZXABRSA-N 0 0 349.405 5.472 40 30 EKEBRN COc1cc(/C=N/c2ccccc2C)ccc1OCc1ccccc1F ZINC000008570896 564127558 /nfs/dbraw/zinc/12/75/58/564127558.db2.gz MIGIIYZCDPNWQU-ZVHZXABRSA-N 0 0 349.405 5.472 40 30 EKEBRN Cc1ccccc1/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000008570905 564127567 /nfs/dbraw/zinc/12/75/67/564127567.db2.gz MQAFSYUVAFWVKC-OEAKJJBVSA-N 0 0 335.834 5.978 40 30 EKEBRN Cc1ccccc1/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000008570907 564127550 /nfs/dbraw/zinc/12/75/50/564127550.db2.gz PLKRCVWHKFCVON-HYARGMPZSA-N 0 0 346.386 5.233 40 30 EKEBRN Cc1ccccc1/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 ZINC000008570909 564127569 /nfs/dbraw/zinc/12/75/69/564127569.db2.gz QTWWZRQGVZSOKR-OEAKJJBVSA-N 0 0 335.834 5.978 40 30 EKEBRN Cc1ccccc1/N=C/c1ccc(OCc2ccccc2Cl)cc1 ZINC000008570912 564127544 /nfs/dbraw/zinc/12/75/44/564127544.db2.gz KIQFWYCOHBQKJV-OEAKJJBVSA-N 0 0 335.834 5.978 40 30 EKEBRN Cc1ccccc1/N=C/c1ccccc1OCc1ccc(Cl)cc1 ZINC000008570927 564127553 /nfs/dbraw/zinc/12/75/53/564127553.db2.gz WXOGEODMJKRALH-OEAKJJBVSA-N 0 0 335.834 5.978 40 30 EKEBRN Cc1ccccc1/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000008570929 564127546 /nfs/dbraw/zinc/12/75/46/564127546.db2.gz TYCWVZNIOVMLNY-HYARGMPZSA-N 0 0 346.386 5.233 40 30 EKEBRN Cc1ccccc1/N=C/c1ccccc1OCc1cccc(Cl)c1 ZINC000008570931 564013409 /nfs/dbraw/zinc/01/34/09/564013409.db2.gz FDVPYMGPCBFTDZ-OEAKJJBVSA-N 0 0 335.834 5.978 40 30 EKEBRN Cc1ccccc1/N=C/c1ccccc1OCc1ccccc1Cl ZINC000008570934 564127556 /nfs/dbraw/zinc/12/75/56/564127556.db2.gz IAOOKBPUBTXZDR-OEAKJJBVSA-N 0 0 335.834 5.978 40 30 EKEBRN CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(COCCC#N)CCC[C@]21C ZINC000008579829 210969201 /nfs/dbraw/zinc/96/92/01/210969201.db2.gz KNDKKHHPKWWADZ-XPWALMASSA-N 0 0 339.523 5.751 40 30 EKEBRN CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(COCCC#N)CCC[C@@]21C ZINC000008579831 563633010 /nfs/dbraw/zinc/63/30/10/563633010.db2.gz KNDKKHHPKWWADZ-VJBWXMMDSA-N 0 0 339.523 5.751 40 30 EKEBRN C/C(=N\N=C(/C)c1cccc2ccccc21)c1cccc2ccccc21 ZINC000008619356 564007024 /nfs/dbraw/zinc/00/70/24/564007024.db2.gz PCMMCSZMSVAZSC-RPCRKUJJSA-N 0 0 336.438 6.226 40 30 EKEBRN O=C(/C(=C/c1ccc(Cl)cc1)c1ccccc1)c1ccc(O)cc1 ZINC000008627255 563633588 /nfs/dbraw/zinc/63/35/88/563633588.db2.gz ACGIFXQJLCRIQL-XSFVSMFZSA-N 0 0 334.802 5.469 40 30 EKEBRN Cc1[nH]c2ccccc2c1/C(=C\C(=O)c1ccccc1)c1ccccc1 ZINC000008628452 210974343 /nfs/dbraw/zinc/97/43/43/210974343.db2.gz UQFHORIGEDYRLV-PGMHBOJBSA-N 0 0 337.422 5.791 40 30 EKEBRN C/C(=C\C(=N\N=C/c1ccccc1O)c1ccccc1)c1ccccc1 ZINC000008637431 563633980 /nfs/dbraw/zinc/63/39/80/563633980.db2.gz KGFIXCIEGNPCNP-QCDBHMOYSA-N 0 0 340.426 5.319 40 30 EKEBRN Oc1ccccc1/C=N\N=C(/C=C/c1ccccc1)c1ccc(F)cc1 ZINC000008637737 563633916 /nfs/dbraw/zinc/63/39/16/563633916.db2.gz IRGXMSVMSRIOPZ-GEXFZYLTSA-N 0 0 344.389 5.068 40 30 EKEBRN Oc1ccccc1/C=N\N=C(\C=C\c1ccccc1)c1ccc(F)cc1 ZINC000008637739 563634025 /nfs/dbraw/zinc/63/40/25/563634025.db2.gz IRGXMSVMSRIOPZ-WYKHRQCBSA-N 0 0 344.389 5.068 40 30 EKEBRN O=C(/C(=C\c1cccc(Cl)c1)c1ccccc1)c1ccc(O)cc1 ZINC000008642530 563634002 /nfs/dbraw/zinc/63/40/02/563634002.db2.gz DRMUAKFZNBEHNS-ZHZULCJRSA-N 0 0 334.802 5.469 40 30 EKEBRN O=C(/C=C\c1ccc(Cl)c(Cl)c1)c1cccc2ccccc21 ZINC000008653191 201755514 /nfs/dbraw/zinc/75/55/14/201755514.db2.gz YNHRPXVZZIGOJR-LUAWRHEFSA-N 0 0 327.210 6.043 40 30 EKEBRN CC(=O)/C(=C\c1ccc(-c2ccccc2)cc1)C(=O)c1ccccc1 ZINC000008653276 563634321 /nfs/dbraw/zinc/63/43/21/563634321.db2.gz NPMHKEMZUVOLJB-CJLVFECKSA-N 0 0 326.395 5.209 40 30 EKEBRN O=C(O/N=C1\CCCC\C1=C\c1ccccc1)c1ccc(Cl)cc1 ZINC000008656134 210977666 /nfs/dbraw/zinc/97/76/66/210977666.db2.gz RVMAFJBKFCVPEA-KGJFVNAZSA-N 0 0 339.822 5.510 40 30 EKEBRN Clc1ccc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)cc1 ZINC000008811422 564014289 /nfs/dbraw/zinc/01/42/89/564014289.db2.gz RUWCLKLFYJSLTP-WSDLNYQXSA-N 0 0 345.229 5.377 40 30 EKEBRN Clc1cccc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)c1 ZINC000008811423 564014319 /nfs/dbraw/zinc/01/43/19/564014319.db2.gz CEOMCRVJJBBLFV-WSDLNYQXSA-N 0 0 345.229 5.377 40 30 EKEBRN CCOc1ccc2ccccc2c1/C=N/NCc1ccccc1Cl ZINC000008811581 564015328 /nfs/dbraw/zinc/01/53/28/564015328.db2.gz VXEIJQDRJZWZHH-OEAKJJBVSA-N 0 0 338.838 5.016 40 30 EKEBRN Clc1ccccc1CN/N=C/c1c2ccccc2cc2ccccc21 ZINC000008811618 564127578 /nfs/dbraw/zinc/12/75/78/564127578.db2.gz ZGJJFVFXFRPECC-MFKUBSTISA-N 0 0 344.845 5.770 40 30 EKEBRN CCCn1c(C)c(/C=N/NCc2ccccc2Cl)c2ccccc21 ZINC000008812027 564127577 /nfs/dbraw/zinc/12/75/77/564127577.db2.gz SUBZUKMBLGBOPB-OEAKJJBVSA-N 0 0 339.870 5.137 40 30 EKEBRN Cc1c(/C=N/NCc2ccccc2Cl)c2ccccc2n1C(C)C ZINC000008812028 564127579 /nfs/dbraw/zinc/12/75/79/564127579.db2.gz XMRNCWQWVWBNOD-YDZHTSKRSA-N 0 0 339.870 5.308 40 30 EKEBRN CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)NCCO ZINC000008860467 564167503 /nfs/dbraw/zinc/16/75/03/564167503.db2.gz YKGQBEGMUSSPFY-YOILPLPUSA-N 0 0 349.559 5.465 40 30 in-vitro EKEBRN Clc1ccc(/C=N/NCc2c(Cl)cccc2Cl)c(Cl)c1 ZINC000009195740 211051260 /nfs/dbraw/zinc/05/12/60/211051260.db2.gz ASAOQMBRLLFIKK-FBCYGCLPSA-N 0 0 348.060 5.424 40 30 EKEBRN CCn1cc(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc21 ZINC000009195962 211051971 /nfs/dbraw/zinc/05/19/71/211051971.db2.gz UMCOLPSXACBZMV-UFFVCSGVSA-N 0 0 346.261 5.092 40 30 EKEBRN Clc1cccc(Cl)c1CN/N=C/c1cccc2ccccc12 ZINC000009196218 211052318 /nfs/dbraw/zinc/05/23/18/211052318.db2.gz XHKGPXATTWUEKD-SRZZPIQSSA-N 0 0 329.230 5.270 40 30 EKEBRN C/C(=N\NCc1c(Cl)cccc1Cl)c1cccc2ccccc21 ZINC000009196268 211051351 /nfs/dbraw/zinc/05/13/51/211051351.db2.gz VREUEXLXLRVVAP-YDZHTSKRSA-N 0 0 343.257 5.660 40 30 EKEBRN CCCn1c(C)c(/C=N/NCc2ccc(Cl)cc2)c2ccccc21 ZINC000009879494 564127610 /nfs/dbraw/zinc/12/76/10/564127610.db2.gz BMUSIGNLJKXSAA-OEAKJJBVSA-N 0 0 339.870 5.137 40 30 EKEBRN Cc1c(/C=N/NCc2ccc(Cl)cc2)c2ccccc2n1C(C)C ZINC000009879497 564127612 /nfs/dbraw/zinc/12/76/12/564127612.db2.gz XCMXHSXHCZDHDI-YDZHTSKRSA-N 0 0 339.870 5.308 40 30 EKEBRN Clc1ccc(CN/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000010118784 564127704 /nfs/dbraw/zinc/12/77/04/564127704.db2.gz RVGLJKHVWMSULK-WSDLNYQXSA-N 0 0 345.229 5.377 40 30 EKEBRN Clc1ccc(CN/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1 ZINC000010118785 564018488 /nfs/dbraw/zinc/01/84/88/564018488.db2.gz AMNGDWOYJVYDCV-WSDLNYQXSA-N 0 0 345.229 5.377 40 30 EKEBRN CCOc1ccc2ccccc2c1/C=N/NCc1ccc(Cl)cc1 ZINC000010118884 564018545 /nfs/dbraw/zinc/01/85/45/564018545.db2.gz BHJBKZHARFKVDF-OEAKJJBVSA-N 0 0 338.838 5.016 40 30 EKEBRN C=CCOc1cccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)c1 ZINC000010328776 564073098 /nfs/dbraw/zinc/07/30/98/564073098.db2.gz AMQVUVXZZPPWJK-UHFFFAOYSA-N 0 0 337.463 5.120 40 30 EKEBRN C=CCOc1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 ZINC000010367851 564020423 /nfs/dbraw/zinc/02/04/23/564020423.db2.gz MCLHZKOMAFPLRF-UHFFFAOYSA-N 0 0 337.463 5.120 40 30 EKEBRN CCc1cccc(CC)c1NC(=O)CCc1ncc(-c2ccccc2)o1 ZINC000011470065 563649975 /nfs/dbraw/zinc/64/99/75/563649975.db2.gz RLJJLHPRJZIGKA-UHFFFAOYSA-N 0 0 348.446 5.687 40 30 EKEBRN COc1cc(C#N)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000011799655 564134998 /nfs/dbraw/zinc/13/49/98/564134998.db2.gz MOWHFVHIHMRLIG-UHFFFAOYSA-N 0 0 342.609 5.106 40 30 EKEBRN N#Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000011826967 564134990 /nfs/dbraw/zinc/13/49/90/564134990.db2.gz SECAXTQQTQKPAR-UHFFFAOYSA-N 0 0 328.198 5.597 40 30 EKEBRN c1ccc2c(c1)cc1ccccc1c2CN=Nc1ncnc2ccccc21 ZINC000011859688 211259571 /nfs/dbraw/zinc/25/95/71/211259571.db2.gz YVWSJOKPMLZWBC-VULFUBBASA-N 0 0 348.409 5.382 40 30 EKEBRN O/N=C/c1c(OCc2cccc3ccccc32)ccc2ccccc21 ZINC000011861136 564017987 /nfs/dbraw/zinc/01/79/87/564017987.db2.gz GMXMDIKLVFGJTO-OEAKJJBVSA-N 0 0 327.383 5.380 40 30 EKEBRN N#Cc1cc(Br)ccc1OCc1cccc2ccccc21 ZINC000011863494 563983406 /nfs/dbraw/zinc/98/34/06/563983406.db2.gz RHPHQFWORVCHHG-UHFFFAOYSA-N 0 0 338.204 5.053 40 30 EKEBRN N#Cc1c(OCc2ccc(Br)cc2)ccc2ccccc21 ZINC000011949962 564135100 /nfs/dbraw/zinc/13/51/00/564135100.db2.gz QDCFCMZPFBQHBU-UHFFFAOYSA-N 0 0 338.204 5.053 40 30 EKEBRN CCOc1cc(C#N)cc(Cl)c1OCc1cccc2ccccc21 ZINC000011952262 211273722 /nfs/dbraw/zinc/27/37/22/211273722.db2.gz ICSIGCWCWNQTQK-UHFFFAOYSA-N 0 0 337.806 5.343 40 30 EKEBRN N#Cc1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000011960306 211276204 /nfs/dbraw/zinc/27/62/04/211276204.db2.gz KNJYQRWGGRPYRK-UHFFFAOYSA-N 0 0 338.204 5.053 40 30 EKEBRN CC(=C\c1ccccc1)/C=C1/S/C(=N/c2ccc(C)c(C)c2)NC1=O ZINC000012032474 211281494 /nfs/dbraw/zinc/28/14/94/211281494.db2.gz GBYGLZPVJFPIGF-UFTLPMNOSA-N 0 0 348.471 5.141 40 30 EKEBRN CC(=C\c1ccccc1)/C=C1/S/C(=N/c2cccc(C)c2C)NC1=O ZINC000012032478 564026298 /nfs/dbraw/zinc/02/62/98/564026298.db2.gz UFSNEYYOAOEWOZ-QQWZAAIYSA-N 0 0 348.471 5.141 40 30 EKEBRN Cc1ccc(/C=C2\S/C(=N\c3cccc4ccccc43)NC2=O)cc1 ZINC000012032518 563652696 /nfs/dbraw/zinc/65/26/96/563652696.db2.gz WQNIQJYVCIIFQS-UYRXBGFRSA-N 0 0 344.439 5.040 40 30 EKEBRN N#Cc1c(=S)[nH]c(-c2cccs2)cc1-c1ccc(Cl)cc1 ZINC000012139494 211303779 /nfs/dbraw/zinc/30/37/79/211303779.db2.gz IKZOTASCGKQWNX-UHFFFAOYSA-N 0 0 328.849 5.291 40 30 EKEBRN O=C(/C(=N\N=C/c1ccc(Cl)cc1)c1ccccc1)c1ccccc1 ZINC000012338999 563658588 /nfs/dbraw/zinc/65/85/88/563658588.db2.gz KWQRBQAHDAEYIK-LRDAXYDYSA-N 0 0 346.817 5.046 40 30 EKEBRN O=C(/C(=N/N=C\c1ccc(Cl)cc1)c1ccccc1)c1ccccc1 ZINC000012339000 563658454 /nfs/dbraw/zinc/65/84/54/563658454.db2.gz KWQRBQAHDAEYIK-AHUQVGLRSA-N 0 0 346.817 5.046 40 30 EKEBRN O=C(/C(=N/N=C/c1ccc(Cl)cc1)c1ccccc1)c1ccccc1 ZINC000012339001 211351993 /nfs/dbraw/zinc/35/19/93/211351993.db2.gz KWQRBQAHDAEYIK-OJMJSWISSA-N 0 0 346.817 5.046 40 30 EKEBRN O=C1/C(=C/C=C\c2ccccc2)CCC/C1=C\C=C/c1ccccc1 ZINC000012340166 201839416 /nfs/dbraw/zinc/83/94/16/201839416.db2.gz CTQRVSIAFMWYTR-KSDSGBKKSA-N 0 0 326.439 6.019 40 30 EKEBRN O=C1/C(=C/C=C/c2ccccc2)CCC/C1=C\C=C/c1ccccc1 ZINC000012340168 211353153 /nfs/dbraw/zinc/35/31/53/211353153.db2.gz CTQRVSIAFMWYTR-RCTBNKLDSA-N 0 0 326.439 6.019 40 30 EKEBRN O=C1/C(=C/c2ccc(Cl)cc2)CC/C1=C/c1ccc(Cl)cc1 ZINC000012340172 211352229 /nfs/dbraw/zinc/35/22/29/211352229.db2.gz HOAWLEKLGGIUDF-UKVBVZPVSA-N 0 0 329.226 5.823 40 30 EKEBRN O=C1/C(=C\c2ccccc2Cl)CC/C1=C/c1ccccc1Cl ZINC000012340180 211352773 /nfs/dbraw/zinc/35/27/73/211352773.db2.gz RHVDVNSBPYATIJ-NFLUSIDLSA-N 0 0 329.226 5.823 40 30 EKEBRN O=C(/C=C(/C(=O)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000012368707 564052493 /nfs/dbraw/zinc/05/24/93/564052493.db2.gz PNZSYMGEZQXESH-HMMYKYKNSA-N 0 0 346.813 5.489 40 30 EKEBRN CC(C)Cc1ccc(C(=O)/C=C\c2ccc(C(F)(F)F)cc2)cc1 ZINC000012370920 211356887 /nfs/dbraw/zinc/35/68/87/211356887.db2.gz NCTTXOGDBHGOMM-GHXNOFRVSA-N 0 0 332.365 5.800 40 30 EKEBRN Brc1ccc(/N=C(\c2ccccc2)c2ccncc2)cc1 ZINC000012375735 211360595 /nfs/dbraw/zinc/36/05/95/211360595.db2.gz PCFXIKFHNGCKDC-DYTRJAOYSA-N 0 0 337.220 5.013 40 30 EKEBRN O=[N+]([O-])c1cccc(/C=N\c2ccc(/N=N\c3ccccc3)cc2)c1 ZINC000012403661 211369356 /nfs/dbraw/zinc/36/93/56/211369356.db2.gz WWRKYXPXQZJAGM-BKEKRWCUSA-N 0 0 330.347 5.761 40 30 EKEBRN Cc1ccc2nc(-c3ccc(/N=C/c4cccs4)cc3)sc2c1 ZINC000012482099 211391827 /nfs/dbraw/zinc/39/18/27/211391827.db2.gz SBVBFJXAIORWIK-UDWIEESQSA-N 0 0 334.469 6.084 40 30 EKEBRN CCC(=NNc1ccnc2cc(Cl)ccc21)c1cccc(Cl)c1 ZINC000012524970 563662220 /nfs/dbraw/zinc/66/22/20/563662220.db2.gz QJFYIEXVZSBRST-CJLVFECKSA-N 0 0 344.245 5.768 40 30 EKEBRN CCC(=NNc1ccnc2cc(Cl)ccc21)c1ccc(F)cc1 ZINC000012524981 563662255 /nfs/dbraw/zinc/66/22/55/563662255.db2.gz MRQALQYQAUKSSG-CJLVFECKSA-N 0 0 327.790 5.254 40 30 EKEBRN C=CCn1c(-c2ccccc2)cs/c1=N\c1cccc(Cl)c1 ZINC000012653247 564135403 /nfs/dbraw/zinc/13/54/03/564135403.db2.gz GXYKMHNLPDAWQE-ZZEZOPTASA-N 0 0 326.852 5.288 40 30 EKEBRN C=C1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(C)=C\CC/C(C)=N/O ZINC000012653670 211429917 /nfs/dbraw/zinc/42/99/17/211429917.db2.gz GKFSDTRKPOZJAE-ROYNUPQNSA-N 0 0 345.571 7.142 40 30 EKEBRN C=C1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CC/C(C)=C\CC/C(C)=N/O ZINC000012653673 564018811 /nfs/dbraw/zinc/01/88/11/564018811.db2.gz GKFSDTRKPOZJAE-CQWWLVNXSA-N 0 0 345.571 7.142 40 30 EKEBRN C=C[C@@]1(C)CC[C@H]2[C@@H](O1)c1ccccc1O[C@@]2(C)CCC=C(C)C ZINC000012654972 211430530 /nfs/dbraw/zinc/43/05/30/211430530.db2.gz LXELBISQABCQRG-QESAQDPVSA-N 0 0 326.480 5.997 40 30 EKEBRN Oc1ccc2ccccc2c1/C=N/Cc1c(O)ccc2ccccc21 ZINC000012671689 563667545 /nfs/dbraw/zinc/66/75/45/563667545.db2.gz FQPAVMLGOVHHFR-YDZHTSKRSA-N 0 0 327.383 5.023 40 30 in-vitro EKEBRN C=CCCCCn1c2ccccc2c2c1c(C)c1ccncc1c2C ZINC000013281446 564073783 /nfs/dbraw/zinc/07/37/83/564073783.db2.gz BNUXJBKHBGXWGI-UHFFFAOYSA-N 0 0 328.459 6.316 40 30 EKEBRN C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000013399101 211554110 /nfs/dbraw/zinc/55/41/10/211554110.db2.gz IVXCPPFOKIYBRE-OHZNAXCZSA-N 0 0 328.540 5.420 40 30 EKEBRN Brc1cccc2c(C=NNc3ccccc3)cccc12 ZINC000013402732 563697735 /nfs/dbraw/zinc/69/77/35/563697735.db2.gz CKTPAHXEVYCZCQ-XDHOZWIPSA-N 0 0 325.209 5.048 40 30 EKEBRN CN(C)c1ccc(CC=C(N=Nc2ccccc2)c2ccccc2)cc1 ZINC000013403868 563697776 /nfs/dbraw/zinc/69/77/76/563697776.db2.gz PGXVQLMSRMMTSF-VZMLXCLQSA-N 0 0 341.458 5.282 40 30 EKEBRN CCO/C=N/c1c(C#N)c(-c2ccccc2)cn1-c1ccc(Cl)cc1 ZINC000013410424 563698099 /nfs/dbraw/zinc/69/80/99/563698099.db2.gz VCDXVPHQCNBRQN-OEAKJJBVSA-N 0 0 349.821 5.366 40 30 EKEBRN CCO/C=N/c1c(C#N)c(-c2ccc(Cl)cc2)cn1-c1ccccc1 ZINC000013410448 563698020 /nfs/dbraw/zinc/69/80/20/563698020.db2.gz WCZDAVCCBYZRSX-OEAKJJBVSA-N 0 0 349.821 5.366 40 30 EKEBRN COc1ccc(N=NC(N=Nc2ccccc2)c2ccccc2)cc1 ZINC000013424358 563698413 /nfs/dbraw/zinc/69/84/13/563698413.db2.gz CCCNXDPMLWXWML-FWOYJBNGSA-N 0 0 330.391 5.253 40 30 EKEBRN Cc1ccccc1[C@H]1c2c(ccc3ncccc32)NC2=C1C(=O)CCC2 ZINC000013564298 564020103 /nfs/dbraw/zinc/02/01/03/564020103.db2.gz QDIOXQSYJBYDOT-QFIPXVFZSA-N 0 0 340.426 5.108 40 30 EKEBRN Cc1ccccc1[C@@H]1c2c(ccc3ncccc32)NC2=C1C(=O)CCC2 ZINC000013564300 564020087 /nfs/dbraw/zinc/02/00/87/564020087.db2.gz QDIOXQSYJBYDOT-JOCHJYFZSA-N 0 0 340.426 5.108 40 30 EKEBRN Cc1ccsc1[C@H]1c2c(ccc3ncccc32)NC2=C1C(=O)CCC2 ZINC000013564303 564020115 /nfs/dbraw/zinc/02/01/15/564020115.db2.gz DPTMBVLUGMOYSZ-FQEVSTJZSA-N 0 0 346.455 5.169 40 30 EKEBRN Cc1ccsc1[C@@H]1c2c(ccc3ncccc32)NC2=C1C(=O)CCC2 ZINC000013564305 564020141 /nfs/dbraw/zinc/02/01/41/564020141.db2.gz DPTMBVLUGMOYSZ-HXUWFJFHSA-N 0 0 346.455 5.169 40 30 EKEBRN C/C(=N\NCc1c(Cl)cccc1Cl)c1ccc(Cl)cc1 ZINC000013586053 563702935 /nfs/dbraw/zinc/70/29/35/563702935.db2.gz RTWIHAHNOVPXCW-KEBDBYFISA-N 0 0 327.642 5.161 40 30 EKEBRN C/C(=N\NCc1c(Cl)cccc1Cl)c1ccc(C(C)(C)C)cc1 ZINC000013586067 563702918 /nfs/dbraw/zinc/70/29/18/563702918.db2.gz MYFHJUICAFESAG-YDZHTSKRSA-N 0 0 349.305 5.805 40 30 EKEBRN CC(=O)c1ccc(N=Cc2cc(C)n(-c3ccc(C)cc3)c2C)cc1 ZINC000013633459 211595543 /nfs/dbraw/zinc/59/55/43/211595543.db2.gz YXZYTBXYZJFHED-OEAKJJBVSA-N 0 0 330.431 5.356 40 30 EKEBRN CC1(C)CC(=O)C2=C(C1)N(CCc1ccccc1)c1ccccc1N=C2 ZINC000013637161 563705537 /nfs/dbraw/zinc/70/55/37/563705537.db2.gz SNUGZWSQPUUUOZ-UHFFFAOYSA-N 0 0 344.458 5.095 40 30 EKEBRN Clc1ccc(/C=N/c2ccc3c(c2)Cc2ccccc2-3)c(Cl)c1 ZINC000013703903 563712978 /nfs/dbraw/zinc/71/29/78/563712978.db2.gz YKPFOXXJYJZZGO-FSJBWODESA-N 0 0 338.237 6.315 40 30 in-vitro EKEBRN Fc1cccc(Cl)c1/C=N\N=C1c2ccccc2-c2ccccc21 ZINC000013703971 211615269 /nfs/dbraw/zinc/61/52/69/211615269.db2.gz GDDPFPHCLQALSU-FMCGGJTJSA-N 0 0 334.781 5.331 40 30 in-vitro EKEBRN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1c[nH]cn1 ZINC000013765665 563721811 /nfs/dbraw/zinc/72/18/11/563721811.db2.gz HCHICBFLKPOSSV-XUCMERPOSA-N 0 0 338.495 5.025 40 30 EKEBRN C=CCn1c(SCc2ccccc2Cl)nnc1-c1cccs1 ZINC000014062618 211675783 /nfs/dbraw/zinc/67/57/83/211675783.db2.gz VSOBVWCENDUKHW-UHFFFAOYSA-N 0 0 347.896 5.138 40 30 EKEBRN C=CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccccc1 ZINC000014067652 564021423 /nfs/dbraw/zinc/02/14/23/564021423.db2.gz ONOPGQXQXDIKHV-UHFFFAOYSA-N 0 0 341.867 5.077 40 30 EKEBRN C=CCn1c(SCc2ccc(C)cc2)nnc1-c1ccccc1C ZINC000014081841 564021335 /nfs/dbraw/zinc/02/13/35/564021335.db2.gz IGDKLOYNDKDBKL-UHFFFAOYSA-N 0 0 335.476 5.040 40 30 EKEBRN Cc1sc(NC(=O)c2cccc3c(Cl)cccc23)c(C#N)c1C ZINC000014258572 564021911 /nfs/dbraw/zinc/02/19/11/564021911.db2.gz DAPBPFJFECJHPS-UHFFFAOYSA-N 0 0 340.835 5.296 40 30 EKEBRN CCCCCCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1 ZINC000014263020 519976131 /nfs/dbraw/zinc/97/61/31/519976131.db2.gz FADFGCOCHHNRHF-VAWYXSNFSA-N 0 0 332.484 5.599 40 30 endogenous,in-man EKEBRN C=C(C)C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000014593011 564074152 /nfs/dbraw/zinc/07/41/52/564074152.db2.gz PTVDYMGQGCNETM-UHFFFAOYSA-N 0 0 328.411 5.098 40 30 EKEBRN C=CCOc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000014783712 564074202 /nfs/dbraw/zinc/07/42/02/564074202.db2.gz RPAFEAFDNQORJM-UHFFFAOYSA-N 0 0 329.399 5.171 40 30 EKEBRN CCCCC/C=C/C/C=C/C[C@@H]1O[C@@H]1C/C=C/CCCC(=O)OC ZINC000015159790 563779238 /nfs/dbraw/zinc/77/92/38/563779238.db2.gz XAOMBLXPIQCTNG-OPFRDBNUSA-N 0 0 334.500 5.516 40 30 EKEBRN CCCCC/C=C/C[C@@H]1O[C@@H]1C/C=C/C/C=C/CCCC(=O)OC ZINC000015159798 563779150 /nfs/dbraw/zinc/77/91/50/563779150.db2.gz DHUPCTVGLDZJCY-HSAUYNDVSA-N 0 0 334.500 5.516 40 30 EKEBRN N#Cc1ccccc1Oc1nc(-c2cccs2)nc2ccccc21 ZINC000015209837 564056044 /nfs/dbraw/zinc/05/60/44/564056044.db2.gz XDHMWEMMGSQFJC-UHFFFAOYSA-N 0 0 329.384 5.022 40 30 EKEBRN COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1 ZINC000015221310 563966647 /nfs/dbraw/zinc/96/66/47/563966647.db2.gz TWYBNKWJRLRNCS-CXUHLZMHSA-N 0 0 344.410 5.170 40 30 EKEBRN CC(=O)c1ccc(N=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 ZINC000015223711 211807670 /nfs/dbraw/zinc/80/76/70/211807670.db2.gz CPNVSWFGFPRHLC-OYKKKHCWSA-N 0 0 344.458 5.664 40 30 EKEBRN Clc1ccc(-c2csc(N=NC3CCCCC3)n2)c(Cl)c1 ZINC000015224794 563780353 /nfs/dbraw/zinc/78/03/53/563780353.db2.gz WVRJYKWDVYLJTE-UHFFFAOYSA-N 0 0 340.279 5.849 40 30 EKEBRN Clc1ccc(-c2csc(N=NC3CCCC3)n2)c(Cl)c1 ZINC000015224796 564024091 /nfs/dbraw/zinc/02/40/91/564024091.db2.gz LJDWNJHXJAENBL-UHFFFAOYSA-N 0 0 326.252 5.459 40 30 EKEBRN COc1ccc2c(c1)Cc1sc(/N=C/c3cccc(Cl)c3)nc1-2 ZINC000015226339 563780328 /nfs/dbraw/zinc/78/03/28/563780328.db2.gz SZOIOSRFTDRUKZ-KEBDBYFISA-N 0 0 340.835 5.127 40 30 EKEBRN Clc1ccc(/N=C/c2nc(-c3ccccc3)n3ccccc23)cc1 ZINC000015441583 564171988 /nfs/dbraw/zinc/17/19/88/564171988.db2.gz SBDZXPDQNFHOLI-HYARGMPZSA-N 0 0 331.806 5.405 40 30 EKEBRN Clc1cccc(/N=C/c2nc(-c3ccccc3)n3ccccc23)c1 ZINC000015441590 564171984 /nfs/dbraw/zinc/17/19/84/564171984.db2.gz SRIAHTSBIKMWAG-HYARGMPZSA-N 0 0 331.806 5.405 40 30 EKEBRN Clc1cc(Cl)c(N=NC(Cl)c2ccccc2)c(Cl)c1 ZINC000015444204 563784684 /nfs/dbraw/zinc/78/46/84/563784684.db2.gz QVMATSPQIBFRPZ-CPNJWEJPSA-N 0 0 334.033 5.659 40 30 EKEBRN Cc1ccc(NC(=Nc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000015784097 203324086 /nfs/dbraw/zinc/32/40/86/203324086.db2.gz UTBCPPWDTRPSBU-UHFFFAOYSA-N 0 0 331.375 5.094 40 30 EKEBRN CC(=NOC(=O)Nc1cccc(Cl)c1)c1cccc2ccccc21 ZINC000016136673 563804334 /nfs/dbraw/zinc/80/43/34/563804334.db2.gz LAKFCSOSUJIRDQ-XKZIYDEJSA-N 0 0 338.794 5.466 40 30 EKEBRN COc1ccc(Cl)c(NC=CC(=O)c2cccc3ccccc32)c1 ZINC000016215306 563806089 /nfs/dbraw/zinc/80/60/89/563806089.db2.gz AHMHYVOUUIGXRT-VAWYXSNFSA-N 0 0 337.806 5.310 40 30 EKEBRN COc1ccc(/C=N/c2cccc(/N=C/c3ccc(OC)cc3)c2)cc1 ZINC000016215976 563805983 /nfs/dbraw/zinc/80/59/83/563805983.db2.gz HZFREKWDCDDERB-DFEHQXHXSA-N 0 0 344.414 5.205 40 30 EKEBRN Cc1c(C#N)sc(NN=C2C=C(Cl)C(=O)C(Cl)=C2)c1C#N ZINC000016249584 211892024 /nfs/dbraw/zinc/89/20/24/211892024.db2.gz XWZMBJNVUOSHMZ-VHEBQXMUSA-N 0 0 337.191 5.228 40 30 EKEBRN Cc1c(C#N)sc(NN=C2C=CC(=O)C(Cl)=C2Cl)c1C#N ZINC000016249590 564081118 /nfs/dbraw/zinc/08/11/18/564081118.db2.gz XXWWVVBLDUIUIL-VHEBQXMUSA-N 0 0 337.191 5.228 40 30 EKEBRN Cc1cc(O/C=C/C(=O)c2cccc3ccccc32)cc(C)c1Cl ZINC000016269381 525352370 /nfs/dbraw/zinc/35/23/70/525352370.db2.gz GWWGPPLAASQQKN-ZHACJKMWSA-N 0 0 336.818 5.885 40 30 EKEBRN Cc1cc(Cl)cc(Cl)c1O/C=C/C(=O)c1ccc(F)cc1 ZINC000016269634 563807456 /nfs/dbraw/zinc/80/74/56/563807456.db2.gz CBVAMERRVKDRFF-VOTSOKGWSA-N 0 0 325.166 5.216 40 30 EKEBRN COc1ccc(C(=O)/C=C/Oc2c(C)cc(Cl)cc2Cl)cc1 ZINC000016269637 563807472 /nfs/dbraw/zinc/80/74/72/563807472.db2.gz WMQXBWQLHFUJFL-BQYQJAHWSA-N 0 0 337.202 5.086 40 30 EKEBRN Cc1ccc(N=C2NC(=Nc3ccc(C)cc3)c3ccccc32)cc1 ZINC000016291593 563976498 /nfs/dbraw/zinc/97/64/98/563976498.db2.gz XAZXXOCBZOOGQQ-UHFFFAOYSA-N 0 0 325.415 5.254 40 30 EKEBRN Cc1ccc(C(=O)/C=C\Sc2nc(-c3ccccc3)cs2)cc1 ZINC000016291728 526014469 /nfs/dbraw/zinc/01/44/69/526014469.db2.gz FOHBRVNEXOJLNC-QXMHVHEDSA-N 0 0 337.469 5.607 40 30 EKEBRN Cc1ccc(/N=C(\Nc2ccc(C)cc2)c2ccccc2Cl)cc1 ZINC000016292627 563976484 /nfs/dbraw/zinc/97/64/84/563976484.db2.gz NAVTXXYGCSWSQX-UHFFFAOYSA-N 0 0 334.850 6.147 40 30 EKEBRN Cc1ccc(NC=CC(=O)c2ccc(Cl)cc2Cl)cc1Cl ZINC000016312816 563808379 /nfs/dbraw/zinc/80/83/79/563808379.db2.gz AJTRJQWDUPUUST-SREVYHEPSA-N 0 0 340.637 5.764 40 30 EKEBRN N#CCCN(C(=O)Nc1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000016385050 563810225 /nfs/dbraw/zinc/81/02/25/563810225.db2.gz MIBRWCCGMDZZPV-UHFFFAOYSA-N 0 0 340.254 5.074 40 30 EKEBRN O=C(C=CNc1cccc(Cl)c1)c1cc(Cl)ccc1Cl ZINC000016398870 563810192 /nfs/dbraw/zinc/81/01/92/563810192.db2.gz VJJISQUFTXLNMZ-SREVYHEPSA-N 0 0 326.610 5.455 40 30 EKEBRN O=C(C=CNc1cccc(Cl)c1)c1ccc(Cl)cc1Cl ZINC000016398875 211901535 /nfs/dbraw/zinc/90/15/35/211901535.db2.gz MANRFWTVYPEXKM-SREVYHEPSA-N 0 0 326.610 5.455 40 30 EKEBRN O=C(C=CNc1ccc(Cl)cc1)c1cc(Cl)ccc1Cl ZINC000016427864 563810915 /nfs/dbraw/zinc/81/09/15/563810915.db2.gz WYDHHTMHLADBPU-FPLPWBNLSA-N 0 0 326.610 5.455 40 30 EKEBRN O=C(C=CNc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 ZINC000016427870 563810956 /nfs/dbraw/zinc/81/09/56/563810956.db2.gz ILZMHZWCRJZHSK-FPLPWBNLSA-N 0 0 326.610 5.455 40 30 EKEBRN O=C(C=CNc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000016427873 563811005 /nfs/dbraw/zinc/81/10/05/563811005.db2.gz DXHUYFBWXMOGCI-FPLPWBNLSA-N 0 0 326.610 5.455 40 30 EKEBRN Cl/C(=C\C=N\N=C\C=C(/Cl)c1ccccc1)c1ccccc1 ZINC000016450688 563812049 /nfs/dbraw/zinc/81/20/49/563812049.db2.gz ZTBXUMMJHQDIQM-SAHJKQPNSA-N 0 0 329.230 5.603 40 30 EKEBRN c1ccc(/N=C(\c2ccccc2)N(c2ccccc2)c2ccccc2)cc1 ZINC000016450770 563976530 /nfs/dbraw/zinc/97/65/30/563976530.db2.gz AVDXZUYBWDVWPG-OCEACIFDSA-N 0 0 348.449 6.603 40 30 EKEBRN O=[N+]([O-])c1ccc(/C(=N/c2ccccc2)Sc2ccccc2)cc1 ZINC000016451040 563812054 /nfs/dbraw/zinc/81/20/54/563812054.db2.gz UNYKGBUADHYDRC-VXPUYCOJSA-N 0 0 334.400 5.465 40 30 EKEBRN Oc1ccc(/N=C\c2cn(-c3ccccc3)nc2-c2cccs2)cc1 ZINC000016523989 563813997 /nfs/dbraw/zinc/81/39/97/563813997.db2.gz FJDWCVARPJEBGJ-BKUYFWCQSA-N 0 0 345.427 5.057 40 30 EKEBRN O=C1c2ccccc2S/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000016524274 564024641 /nfs/dbraw/zinc/02/46/41/564024641.db2.gz PBPIOZDDRIKALI-WOJGMQOQSA-N 0 0 349.367 5.184 40 30 EKEBRN O=C(/C=C/Oc1ccc(Cl)cc1Cl)c1cccc2ccccc21 ZINC000016526191 527597973 /nfs/dbraw/zinc/59/79/73/527597973.db2.gz WHYWOIZMGOQCEJ-ZHACJKMWSA-N 0 0 343.209 5.922 40 30 EKEBRN O=C(C=CNc1ccc(Cl)cc1Cl)c1cccc2ccccc21 ZINC000016526199 211911082 /nfs/dbraw/zinc/91/10/82/211911082.db2.gz SGGDRCAUMWMSGU-KHPPLWFESA-N 0 0 342.225 5.955 40 30 EKEBRN O=C(C=CNc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1 ZINC000016545740 563814534 /nfs/dbraw/zinc/81/45/34/563814534.db2.gz GVDQLSZDHNGMOR-KTKRTIGZSA-N 0 0 342.225 5.955 40 30 EKEBRN CC(C)c1ccc(-c2c(C#N)c(N)c(C#N)c3c2CCC[C@H]3C)cc1 ZINC000016609127 564090646 /nfs/dbraw/zinc/09/06/46/564090646.db2.gz GZPFVYUWQSKPDR-CQSZACIVSA-N 0 0 329.447 5.242 40 30 EKEBRN CC(C)c1ccc(-c2c(C#N)c(N)c(C#N)c3c2CCC[C@@H]3C)cc1 ZINC000016609129 564090674 /nfs/dbraw/zinc/09/06/74/564090674.db2.gz GZPFVYUWQSKPDR-AWEZNQCLSA-N 0 0 329.447 5.242 40 30 EKEBRN CC[C@@H](C)c1ccc(/N=C/c2cc(Br)ccc2O)cc1 ZINC000016610494 563817822 /nfs/dbraw/zinc/81/78/22/563817822.db2.gz LIDODSBVMRSMEU-ZGXHQARYSA-N 0 0 332.241 5.419 40 30 EKEBRN Cc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000016661697 211926686 /nfs/dbraw/zinc/92/66/86/211926686.db2.gz QMAKTSZFIDMXJM-VXLYETTFSA-N 0 0 327.840 5.218 40 30 EKEBRN C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1C ZINC000016711354 564074460 /nfs/dbraw/zinc/07/44/60/564074460.db2.gz PNTDCPJMGVBJPD-VZCXRCSSSA-N 0 0 340.879 5.597 40 30 EKEBRN C=CCn1c(-c2ccc(C)cc2)cs/c1=N\c1ccccc1Cl ZINC000016711494 564074441 /nfs/dbraw/zinc/07/44/41/564074441.db2.gz FQVGRDZONROWFR-VZCXRCSSSA-N 0 0 340.879 5.597 40 30 EKEBRN Cc1ccc(-c2csc(N=NC3C[C@@H]4CC[C@@]3(C)C4(C)C)n2)cc1 ZINC000016739941 211932402 /nfs/dbraw/zinc/93/24/02/211932402.db2.gz SJVCVARTRNUBQA-FCRSJJRSSA-N 0 0 339.508 5.733 40 30 EKEBRN N#Cc1ccccc1CNc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000016740308 564112993 /nfs/dbraw/zinc/11/29/93/564112993.db2.gz AJYMAMXCVPLSKQ-UHFFFAOYSA-N 0 0 346.817 5.055 40 30 EKEBRN N#Cc1nc(/C=C/c2cccs2)oc1NCc1ccc(Cl)cc1 ZINC000016768491 211934226 /nfs/dbraw/zinc/93/42/26/211934226.db2.gz VHPMZFHJCMUAAX-BQYQJAHWSA-N 0 0 341.823 5.044 40 30 EKEBRN N#Cc1nc(/C=C/c2cccs2)oc1NCc1ccccc1Cl ZINC000016768496 201979202 /nfs/dbraw/zinc/97/92/02/201979202.db2.gz FGQSMQWDBDUULS-BQYQJAHWSA-N 0 0 341.823 5.044 40 30 EKEBRN C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(F)cc1 ZINC000016804900 564074478 /nfs/dbraw/zinc/07/44/78/564074478.db2.gz UQUNMLCQMUTRIK-UZYVYHOESA-N 0 0 344.842 5.428 40 30 EKEBRN C=CCn1c(-c2ccccc2)cs/c1=N\c1c(C)cc(C)cc1C ZINC000016804907 564074462 /nfs/dbraw/zinc/07/44/62/564074462.db2.gz JNGGGINWYDRMIW-DQRAZIAOSA-N 0 0 334.488 5.560 40 30 EKEBRN CCCCCCC(=C\c1ccccc1)/C=N\N=C/c1ccccc1O ZINC000016919617 563825746 /nfs/dbraw/zinc/82/57/46/563825746.db2.gz UJUCPIUMNCWTEH-FPJQFRICSA-N 0 0 334.463 5.851 40 30 EKEBRN CCCCCCC(/C=N/N=C\c1ccccc1O)=C\c1ccccc1 ZINC000016919622 563825701 /nfs/dbraw/zinc/82/57/01/563825701.db2.gz UJUCPIUMNCWTEH-WXPOLXEDSA-N 0 0 334.463 5.851 40 30 EKEBRN C/C(=C\C(=N/N=C\c1ccccc1O)c1ccccc1)c1ccccc1 ZINC000016919677 518416284 /nfs/dbraw/zinc/41/62/84/518416284.db2.gz KGFIXCIEGNPCNP-BEBMDQANSA-N 0 0 340.426 5.319 40 30 EKEBRN Oc1ccc2ccccc2c1/C=N\N=C1c2ccccc2-c2ccccc21 ZINC000016921084 563826091 /nfs/dbraw/zinc/82/60/91/563826091.db2.gz BOBDOSQGFIXBCS-MYYYXRDXSA-N 0 0 348.405 5.397 40 30 EKEBRN Oc1ccccc1/C=N\N=C(/C=C\c1ccccc1)c1ccc(F)cc1 ZINC000016922725 563826046 /nfs/dbraw/zinc/82/60/46/563826046.db2.gz IRGXMSVMSRIOPZ-GQMKYLCSSA-N 0 0 344.389 5.068 40 30 EKEBRN Oc1ccccc1/C=N\N=C(\C=C/c1ccccc1)c1ccc(F)cc1 ZINC000016922729 526370360 /nfs/dbraw/zinc/37/03/60/526370360.db2.gz IRGXMSVMSRIOPZ-QIZVARQCSA-N 0 0 344.389 5.068 40 30 EKEBRN ON(/C(=N\c1cccc2ccccc21)c1ccccc1)c1ccccc1 ZINC000016931711 563826054 /nfs/dbraw/zinc/82/60/54/563826054.db2.gz JZWFXBRYIXDYRQ-VHXPQNKSSA-N 0 0 338.410 5.814 40 30 EKEBRN O/N=C1\C=C(c2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)C1 ZINC000016932382 563826019 /nfs/dbraw/zinc/82/60/19/563826019.db2.gz DKBTVOCXPDAIGZ-UBYMJTJLSA-N 0 0 339.438 5.872 40 30 EKEBRN O/N=C1\C=C(c2ccccc2)[C@H](c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000016932386 211941960 /nfs/dbraw/zinc/94/19/60/211941960.db2.gz DKBTVOCXPDAIGZ-LMGXPQKSSA-N 0 0 339.438 5.872 40 30 EKEBRN O=C(/C=C/c1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000016943191 563826557 /nfs/dbraw/zinc/82/65/57/563826557.db2.gz PTMVSVXGAAECBG-GIDUJCDVSA-N 0 0 329.355 5.158 40 30 EKEBRN CN1C(=O)C=C(/C=N/c2ccc(-c3ccccc3)cc2)[C@H]2CCCC[C@H]21 ZINC000016955243 563826755 /nfs/dbraw/zinc/82/67/55/563826755.db2.gz OYSCKFIELWMGSV-MSURWQBHSA-N 0 0 344.458 5.013 40 30 EKEBRN CN1C(=O)C=C(/C=N/c2ccc(-c3ccccc3)cc2)[C@H]2CCCC[C@@H]21 ZINC000016955245 563826854 /nfs/dbraw/zinc/82/68/54/563826854.db2.gz OYSCKFIELWMGSV-YVVCTBMISA-N 0 0 344.458 5.013 40 30 EKEBRN COc1ccc(/C(=N\c2ccc(C)cc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000016955397 563826810 /nfs/dbraw/zinc/82/68/10/563826810.db2.gz UXKVOBSXYDGOLY-DQRAZIAOSA-N 0 0 346.386 5.081 40 30 EKEBRN O=C(/C=C/c1cccc2ccccc12)c1ccc(Cl)cc1Cl ZINC000016957373 563827240 /nfs/dbraw/zinc/82/72/40/563827240.db2.gz DFKKJKLEGKUZNZ-DHZHZOJOSA-N 0 0 327.210 6.043 40 30 EKEBRN O=C(/C=C/c1cccc2ccccc12)c1ccc(Br)cc1 ZINC000016957374 211943491 /nfs/dbraw/zinc/94/34/91/211943491.db2.gz SMKOZOJSIIZLHV-JLHYYAGUSA-N 0 0 337.216 5.498 40 30 EKEBRN CN(C)c1ccc(/C=C(/C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000016957400 522127877 /nfs/dbraw/zinc/12/78/77/522127877.db2.gz FNRJKIYQOOHDAN-OQKWZONESA-N 0 0 327.427 5.176 40 30 EKEBRN O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000016957582 211943262 /nfs/dbraw/zinc/94/32/62/211943262.db2.gz HDRUDSYPDBRZHT-QHHAFSJGSA-N 0 0 346.040 6.196 40 30 EKEBRN Clc1ccc(/C=N\N=C/c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000016981030 526940969 /nfs/dbraw/zinc/94/09/69/526940969.db2.gz YBSMZQHLLSYRAG-DWVBSFERSA-N 0 0 346.044 5.753 40 30 EKEBRN CCCCCC(/C=N/c1ccccc1C(=O)OC)=C\c1ccccc1 ZINC000016990116 519921376 /nfs/dbraw/zinc/92/13/76/519921376.db2.gz YQIWYASBSBXASC-MRDIXRINSA-N 0 0 335.447 5.839 40 30 EKEBRN Cc1ccc(C(=O)/C=C(/C(=O)c2ccccc2)c2ccccc2)cc1C ZINC000017004640 563828555 /nfs/dbraw/zinc/82/85/55/563828555.db2.gz HVHMRTQSZJQKOB-CJLVFECKSA-N 0 0 340.422 5.453 40 30 EKEBRN O=C1/C(=C\c2ccccc2)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2/C1=C/c1ccccc1 ZINC000017014173 563828419 /nfs/dbraw/zinc/82/84/19/563828419.db2.gz RXHFKIIFRXWRMR-FXYKJWJKSA-N 0 0 326.439 5.399 40 30 EKEBRN COc1ccc(C(=O)/C=C/c2cccc(OCc3ccccc3)c2)cc1 ZINC000017021253 564024806 /nfs/dbraw/zinc/02/48/06/564024806.db2.gz HQVHDJLZQNBUPX-XNTDXEJSSA-N 0 0 344.410 5.170 40 30 EKEBRN CCc1cc2c(cc1C(=O)/C=C\c1ccco1)C(C)(C)CCC2(C)C ZINC000017023025 211944953 /nfs/dbraw/zinc/94/49/53/211944953.db2.gz OKDHXUOQHVDJJL-KTKRTIGZSA-N 0 0 336.475 6.087 40 30 EKEBRN O=C(/C=C\c1ccc(Cl)c(Cl)c1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000017023040 563828844 /nfs/dbraw/zinc/82/88/44/563828844.db2.gz RJGYJZHKLBNGTH-RRRYKUETSA-N 0 0 337.290 6.182 40 30 EKEBRN O=C(/C=C\c1ccc(Cl)c(Cl)c1)[C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000017023042 563828841 /nfs/dbraw/zinc/82/88/41/563828841.db2.gz RJGYJZHKLBNGTH-MSZJLCJDSA-N 0 0 337.290 6.182 40 30 EKEBRN CCOc1ccc(/N=C/c2ccccc2OC(=O)c2ccccc2)cc1 ZINC000017023389 563828845 /nfs/dbraw/zinc/82/88/45/563828845.db2.gz ZBRWMEBYLZZJJU-XQNSMLJCSA-N 0 0 345.398 5.055 40 30 EKEBRN O=[N+]([O-])c1ccc(N=NC(N=Nc2ccccc2)c2ccccc2)cc1 ZINC000017024311 563828869 /nfs/dbraw/zinc/82/88/69/563828869.db2.gz GDFUXTMRKPSXDG-BVGCCWJSSA-N 0 0 345.362 5.152 40 30 EKEBRN Clc1ccc(/N=C(/Oc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000017060116 563830636 /nfs/dbraw/zinc/83/06/36/563830636.db2.gz IYTWTCYGDXHRGK-ZBJSNUHESA-N 0 0 342.225 6.151 40 30 EKEBRN Cc1ccccc1/C(=N\c1ccccc1)Oc1ccccc1[N+](=O)[O-] ZINC000017061521 563830630 /nfs/dbraw/zinc/83/06/30/563830630.db2.gz RGQKULNBHBJPQX-QZQOTICOSA-N 0 0 332.359 5.061 40 30 EKEBRN O=C(Nc1ccccc1)Oc1cccc(/C=N/Sc2ccccc2)c1 ZINC000017062364 563830656 /nfs/dbraw/zinc/83/06/56/563830656.db2.gz CELRASNWIFSQGW-RCCKNPSSSA-N 0 0 348.427 5.424 40 30 EKEBRN CCCCCCC(=O)/C=C\c1ccc(OC(=O)c2ccccc2)cc1 ZINC000017063470 563830605 /nfs/dbraw/zinc/83/06/05/563830605.db2.gz OHJLFHLWELUDDH-QINSGFPZSA-N 0 0 336.431 5.459 40 30 EKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C\c3cccs3)sc2C1 ZINC000017067371 563831350 /nfs/dbraw/zinc/83/13/50/563831350.db2.gz GYZSWKSZHSCVSJ-WXYNYTDUSA-N 0 0 328.506 5.583 40 30 EKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C\c3cccs3)sc2C1 ZINC000017067373 563831371 /nfs/dbraw/zinc/83/13/71/563831371.db2.gz GYZSWKSZHSCVSJ-OEKFUPINSA-N 0 0 328.506 5.583 40 30 EKEBRN Cc1ccc(C(=O)C=CNc2ccc(Oc3ccccc3)cc2)cc1 ZINC000017087094 563836387 /nfs/dbraw/zinc/83/63/87/563836387.db2.gz PFDBLPCLRKCJJO-FOCLMDBBSA-N 0 0 329.399 5.596 40 30 EKEBRN O=C1C(c2ccccc2)=C(c2ccccc2)/C1=C\c1ccc(Cl)cc1 ZINC000017105092 563836348 /nfs/dbraw/zinc/83/63/48/563836348.db2.gz AAEPUKIGVYAVDF-HMMYKYKNSA-N 0 0 342.825 5.917 40 30 EKEBRN CCCCCCC(=O)/C=C\c1cc(Cl)cc(Cl)c1OCOC ZINC000017107670 563836896 /nfs/dbraw/zinc/83/68/96/563836896.db2.gz VMTNNDCMNUKHDE-HJWRWDBZSA-N 0 0 345.266 5.529 40 30 EKEBRN CCn1c2ccccc2c2ccc(/N=C/c3ccccc3[N+](=O)[O-])cc21 ZINC000017108189 563836900 /nfs/dbraw/zinc/83/69/00/563836900.db2.gz XJXKYJZMBUHFHM-HYARGMPZSA-N 0 0 343.386 5.473 40 30 EKEBRN CN(C)c1ccc(/C=N/c2ccc3c4c(cccc42)-c2ccccc2-3)cc1 ZINC000017108463 563836893 /nfs/dbraw/zinc/83/68/93/563836893.db2.gz IVEBVAUCQOOGPY-WGOQTCKBSA-N 0 0 348.449 6.304 40 30 EKEBRN O=C(/C=C\c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 ZINC000017124065 564116482 /nfs/dbraw/zinc/11/64/82/564116482.db2.gz IWXGPHFRFJTQNH-NVNXTCNLSA-N 0 0 332.374 5.301 40 30 EKEBRN Cc1cccc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c1 ZINC000017124072 563982138 /nfs/dbraw/zinc/98/21/38/563982138.db2.gz HEIHUWPIGPZJLL-NTCAYCPXSA-N 0 0 328.411 5.470 40 30 EKEBRN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1F ZINC000017124083 563837666 /nfs/dbraw/zinc/83/76/66/563837666.db2.gz VSKVGQGUCVBJKJ-NTCAYCPXSA-N 0 0 332.374 5.301 40 30 EKEBRN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1cccc(F)c1 ZINC000017124086 563837689 /nfs/dbraw/zinc/83/76/89/563837689.db2.gz PYMUSXAHUXOKGH-SDNWHVSQSA-N 0 0 332.374 5.301 40 30 EKEBRN COc1ccccc1C(=O)/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000017124117 258005413 /nfs/dbraw/zinc/00/54/13/258005413.db2.gz SUIREVDBTRETHW-DTQAZKPQSA-N 0 0 344.410 5.170 40 30 EKEBRN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1cccc(Cl)c1 ZINC000017124125 563982107 /nfs/dbraw/zinc/98/21/07/563982107.db2.gz PVZWZWTWHPQAQC-SDNWHVSQSA-N 0 0 348.829 5.815 40 30 EKEBRN CCCSc1nc2ccc(/N=C/c3ccccc3O)cc2s1 ZINC000017125639 563837594 /nfs/dbraw/zinc/83/75/94/563837594.db2.gz MITRFJAIWOSLBJ-WOJGMQOQSA-N 0 0 328.462 5.255 40 30 EKEBRN CCCCSc1nc2ccc(/N=C/c3ccccc3O)cc2s1 ZINC000017125644 563837695 /nfs/dbraw/zinc/83/76/95/563837695.db2.gz SFMBWKWAPIJOAS-XDHOZWIPSA-N 0 0 342.489 5.645 40 30 EKEBRN C/C=C/C=N/SC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000017142745 563838529 /nfs/dbraw/zinc/83/85/29/563838529.db2.gz SRXVDPUCEILPPO-BJCWMCAESA-N 0 0 343.495 6.274 40 30 EKEBRN C/C=C\C=N\SC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000017142746 563838559 /nfs/dbraw/zinc/83/85/59/563838559.db2.gz SRXVDPUCEILPPO-NIMACUJUSA-N 0 0 343.495 6.274 40 30 EKEBRN CC/C(C)=N/SC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000017142747 563838537 /nfs/dbraw/zinc/83/85/37/563838537.db2.gz OZDHZXMDYQBQGD-LYBHJNIJSA-N 0 0 345.511 6.498 40 30 EKEBRN CC/C(=N\O)c1ccc2cc(Br)c3ccccc3c2c1 ZINC000017156044 563838854 /nfs/dbraw/zinc/83/88/54/563838854.db2.gz XGZRVOLTGCVKOT-HTXNQAPBSA-N 0 0 328.209 5.344 40 30 EKEBRN C=CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\c1ccccc1 ZINC000017186178 211959676 /nfs/dbraw/zinc/95/96/76/211959676.db2.gz VATCRNPMYSZGFN-VZCXRCSSSA-N 0 0 340.879 5.597 40 30 EKEBRN O=[N+]([O-])c1ccc2c(c1)/C(=N/c1ccc(Cl)cc1)c1ccccc1-2 ZINC000017284599 527379044 /nfs/dbraw/zinc/37/90/44/527379044.db2.gz GKAFZNCHCNMDBB-XUTLUUPISA-N 0 0 334.762 5.398 40 30 EKEBRN CC/C(=N\N=C(/CC)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000017287854 563841939 /nfs/dbraw/zinc/84/19/39/563841939.db2.gz QUCRXQATTOMCFW-KSTNYAOJSA-N 0 0 333.262 6.007 40 30 EKEBRN CC/C(=N\N=C(\CC)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000017287858 563841950 /nfs/dbraw/zinc/84/19/50/563841950.db2.gz QUCRXQATTOMCFW-QGFZOGOGSA-N 0 0 333.262 6.007 40 30 EKEBRN CCOc1ccc(/C=N\c2cc(C(C)C)c(O)cc2C)cc1OCC ZINC000017288054 563842034 /nfs/dbraw/zinc/84/20/34/563842034.db2.gz XTKVXRGPRHAEQY-XKZIYDEJSA-N 0 0 341.451 5.372 40 30 EKEBRN Clc1ccc(/C=N\N=C/c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000017288195 563841995 /nfs/dbraw/zinc/84/19/95/563841995.db2.gz VOXSRYYLVMOEEL-DWVBSFERSA-N 0 0 346.044 5.753 40 30 EKEBRN Clc1ccc(/C=N/N=C\c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000017288203 563841958 /nfs/dbraw/zinc/84/19/58/563841958.db2.gz VOXSRYYLVMOEEL-NORIJPHCSA-N 0 0 346.044 5.753 40 30 EKEBRN CCCCO/C(=N\c1ccccc1)N(c1ccccc1)c1ccccc1 ZINC000017300611 520699734 /nfs/dbraw/zinc/69/97/34/520699734.db2.gz RYFBMTLSFMYQKA-VHXPQNKSSA-N 0 0 344.458 6.329 40 30 EKEBRN C#CCOc1ccc([C@H](CC)[C@H](CC)c2ccc(OCC#C)cc2)cc1 ZINC000017303453 211963320 /nfs/dbraw/zinc/96/33/20/211963320.db2.gz HITRPXJUQPKJRE-PSWAGMNNSA-N 0 0 346.470 5.398 40 30 EKEBRN CCCCCC(/C=N/c1ccccc1C(=O)OC)=C/c1ccccc1 ZINC000017303488 519921576 /nfs/dbraw/zinc/92/15/76/519921576.db2.gz YQIWYASBSBXASC-FIAINZHSSA-N 0 0 335.447 5.839 40 30 EKEBRN Cc1ccc(C(C)C)c(O)c1/N=C\c1cc(Br)ccc1O ZINC000017312089 563842672 /nfs/dbraw/zinc/84/26/72/563842672.db2.gz MSASHQFQKVQVFT-OCKHKDLRSA-N 0 0 348.240 5.043 40 30 EKEBRN O=c1oc2cc(/N=C/c3ccccc3Cl)ccc2c2ccccc12 ZINC000017325627 201989373 /nfs/dbraw/zinc/98/93/73/201989373.db2.gz ZKALLZGPPRUEMZ-WSDLNYQXSA-N 0 0 333.774 5.350 40 30 in-vitro EKEBRN Cc1cccc(NC(=O)C2=C(Nc3cccc(C)c3C)CCC2)c1C ZINC000017375620 563843769 /nfs/dbraw/zinc/84/37/69/563843769.db2.gz BZNXPSDDRGPQLO-GLEDVZQVSA-N 0 0 334.463 5.432 40 30 EKEBRN O=C1/C(=C/c2ccccc2)[C@@H]2[C@H](/C1=C/c1ccccc1)[C@@H]1CC[C@H]2C1 ZINC000017378057 563843793 /nfs/dbraw/zinc/84/37/93/563843793.db2.gz RXHFKIIFRXWRMR-DBSMOTTCSA-N 0 0 326.439 5.399 40 30 EKEBRN O=C1/C(=C/c2ccccc2)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2/C1=C\c1ccccc1 ZINC000017378059 563843722 /nfs/dbraw/zinc/84/37/22/563843722.db2.gz RXHFKIIFRXWRMR-YNQVQCJBSA-N 0 0 326.439 5.399 40 30 EKEBRN Clc1ccc(O/C(=N\c2ccccc2Cl)c2ccccc2)cc1 ZINC000017379175 563844037 /nfs/dbraw/zinc/84/40/37/563844037.db2.gz SLMICLMPRCKNDC-QOCHGBHMSA-N 0 0 342.225 6.151 40 30 EKEBRN C/C(=N\N=C(\C)c1ccc2ccccc2c1)c1ccc2ccccc2c1 ZINC000017379351 563844091 /nfs/dbraw/zinc/84/40/91/563844091.db2.gz IORKPAAAIQLYFG-WTHRLWDASA-N 0 0 336.438 6.226 40 30 EKEBRN O=C1C(=O)/C(=C/c2ccccc2)CCCCCC/C1=C\c1ccccc1 ZINC000017380128 526949252 /nfs/dbraw/zinc/94/92/52/526949252.db2.gz GPQZWIGTGCTQJK-KSTNYAOJSA-N 0 0 344.454 5.646 40 30 EKEBRN O=C1/C(=C/C=C\c2ccccc2)CCCC/C1=C/C=C\c1ccccc1 ZINC000017380134 563844103 /nfs/dbraw/zinc/84/41/03/563844103.db2.gz ONORUXCYOUKTBD-QFYODHCZSA-N 0 0 340.466 6.409 40 30 EKEBRN O=C1/C(=C/C=C\c2ccccc2)CCCC/C1=C\C=C/c1ccccc1 ZINC000017380136 211967400 /nfs/dbraw/zinc/96/74/00/211967400.db2.gz ONORUXCYOUKTBD-XOUSOTBQSA-N 0 0 340.466 6.409 40 30 EKEBRN O=C1/C(=C/C=C/c2ccccc2)CCCC/C1=C\C=C/c1ccccc1 ZINC000017380140 563844086 /nfs/dbraw/zinc/84/40/86/563844086.db2.gz ONORUXCYOUKTBD-BKIYUTHRSA-N 0 0 340.466 6.409 40 30 EKEBRN O=C(Nc1cccc(Cl)c1)C1=C(Nc2cccc(Cl)c2)CCC1 ZINC000017381157 563844082 /nfs/dbraw/zinc/84/40/82/563844082.db2.gz AGXFOJPZNKUIGM-WFOVFMPGSA-N 0 0 347.245 5.505 40 30 EKEBRN O=C(Nc1cccc(Cl)c1)C1=C(Nc2cccc(Cl)c2)CCC1 ZINC000017381159 211969215 /nfs/dbraw/zinc/96/92/15/211969215.db2.gz AGXFOJPZNKUIGM-SEPJKUCUSA-N 0 0 347.245 5.505 40 30 EKEBRN CCn1c2ccccc2c2ccc(/N=C/c3ccc4ccccc4c3)cc21 ZINC000017779758 563845443 /nfs/dbraw/zinc/84/54/43/563845443.db2.gz IZGNKGROTVSFCZ-YZSQISJMSA-N 0 0 348.449 6.718 40 30 EKEBRN C(=N/c1ccc2c3c(cccc31)-c1ccccc1-2)\c1ccc2c(c1)OCO2 ZINC000017835545 563845773 /nfs/dbraw/zinc/84/57/73/563845773.db2.gz UPRXMAAFMDLEIK-DHRITJCHSA-N 0 0 349.389 5.967 40 30 EKEBRN Cc1ccc(N=C2NC(=O)SC2=Cc2ccccc2Cl)cc1 ZINC000017919552 211975280 /nfs/dbraw/zinc/97/52/80/211975280.db2.gz MUCJXSBTDQWGHQ-GDNBJRDFSA-N 0 0 328.824 5.380 40 30 EKEBRN CCOc1ccc([N-][NH+]=C2C=CC(=O)C(C=Nc3ccccc3)=C2)cc1 ZINC000017970039 563846715 /nfs/dbraw/zinc/84/67/15/563846715.db2.gz YSZLEWZJJPLNRZ-XYUREOLFSA-N 0 0 345.402 5.957 40 30 EKEBRN FC(F)(F)c1cccc(/C=N/c2ccc(Oc3ccccc3)cc2)c1 ZINC000018007457 563847080 /nfs/dbraw/zinc/84/70/80/563847080.db2.gz DEORVBYUDUTIJH-ZVHZXABRSA-N 0 0 341.332 6.248 40 30 EKEBRN Cc1cccc(NC(=O)C2=C(Nc3cccc(C)c3C)CCC2)c1C ZINC000018024612 563847416 /nfs/dbraw/zinc/84/74/16/563847416.db2.gz BZNXPSDDRGPQLO-MLSMKVKPSA-N 0 0 334.463 5.432 40 30 EKEBRN COc1cccc(/N=C\c2ccc(/C=N\c3cccc(OC)c3)cc2)c1 ZINC000018051666 525779905 /nfs/dbraw/zinc/77/99/05/525779905.db2.gz WILUYCCJGCJLNY-MPKYGIEOSA-N 0 0 344.414 5.205 40 30 EKEBRN O=[N+]([O-])c1ccc(N=NC(N=Nc2ccccc2)c2ccccc2)cc1 ZINC000018054445 564025119 /nfs/dbraw/zinc/02/51/19/564025119.db2.gz GDFUXTMRKPSXDG-UATKBZSTSA-N 0 0 345.362 5.152 40 30 EKEBRN C1=C(c2ccccc2)/C(=N/c2ccccc2)S/C1=N\c1ccccc1 ZINC000018067363 201992083 /nfs/dbraw/zinc/99/20/83/201992083.db2.gz ABFGFXFRBPRUDO-SXAUZNKPSA-N 0 0 340.451 6.277 40 30 EKEBRN Clc1ccc(/C=N/c2ccc3c(c2)Cc2ccccc2-3)cc1Cl ZINC000018068301 563847853 /nfs/dbraw/zinc/84/78/53/563847853.db2.gz HYXSMGJMBJUFLQ-FSJBWODESA-N 0 0 338.237 6.315 40 30 EKEBRN CCn1c2ccccc2c2ccc(/N=C/c3ccc(N(C)C)cc3)cc21 ZINC000018068532 563847932 /nfs/dbraw/zinc/84/79/32/563847932.db2.gz PVAFATHGNWXDDS-LFVJCYFKSA-N 0 0 341.458 5.631 40 30 EKEBRN FC(F)(F)c1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1 ZINC000018068714 563847943 /nfs/dbraw/zinc/84/79/43/563847943.db2.gz YKFGPXWFMFQQHT-ZVHZXABRSA-N 0 0 341.332 6.248 40 30 EKEBRN CCn1c2ccccc2c2cc(/N=C/c3cccc([N+](=O)[O-])c3)ccc21 ZINC000018069218 563847762 /nfs/dbraw/zinc/84/77/62/563847762.db2.gz FXVZLBDDTCBSQQ-HYARGMPZSA-N 0 0 343.386 5.473 40 30 EKEBRN Oc1ccc(/C=N/c2cc3c4ccccc4ccc3c3ccccc23)cc1 ZINC000018099477 563848718 /nfs/dbraw/zinc/84/87/18/563848718.db2.gz IUSHYZSYYSOCDX-WGOQTCKBSA-N 0 0 347.417 6.602 40 30 EKEBRN COc1ccc(/C=N/c2ccc3c(c2)Cc2ccccc2-3)cc1OC ZINC000018118199 563848969 /nfs/dbraw/zinc/84/89/69/563848969.db2.gz RKFNYVXFWMZKNU-OEAKJJBVSA-N 0 0 329.399 5.026 40 30 EKEBRN N#Cc1c2c(sc1/N=C/C=C/c1ccccc1Cl)CCCC2 ZINC000018140086 564025099 /nfs/dbraw/zinc/02/50/99/564025099.db2.gz DONZZKZOCBFTEP-LCISEVAWSA-N 0 0 326.852 5.568 40 30 EKEBRN CCOC(C/N=C/c1cc(C)c2oc3ccccc3c2c1C)OCC ZINC000018145041 563849699 /nfs/dbraw/zinc/84/96/99/563849699.db2.gz YDFIPVFXNCYESY-WSDLNYQXSA-N 0 0 339.435 5.021 40 30 EKEBRN O=[N+]([O-])c1ccc(/C=N/c2ccc3c(c2)Cc2cc(Cl)ccc2-3)cc1 ZINC000018152221 563849662 /nfs/dbraw/zinc/84/96/62/563849662.db2.gz MBQJOWVROSITSF-WSDLNYQXSA-N 0 0 348.789 5.570 40 30 EKEBRN CN1c2ccccc2C(C)(C)/C1=C/C(=O)c1ccc(Cl)cc1Cl ZINC000018193038 211987563 /nfs/dbraw/zinc/98/75/63/211987563.db2.gz LKHDNTGUFQINBR-WQRHYEAKSA-N 0 0 346.257 5.488 40 30 EKEBRN CCn1c2ccccc2c2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc21 ZINC000018209540 563851077 /nfs/dbraw/zinc/85/10/77/563851077.db2.gz PGNDKOWODWWYKP-HYARGMPZSA-N 0 0 343.386 5.473 40 30 EKEBRN C1=C(c2ccccc2)/C(=N/c2ccccc2)S/C1=N/c1ccccc1 ZINC000018252053 211993654 /nfs/dbraw/zinc/99/36/54/211993654.db2.gz ABFGFXFRBPRUDO-CFPQKXLCSA-N 0 0 340.451 6.277 40 30 EKEBRN Cc1cccc(/C=N/c2ccccc2/N=C/c2cccc(C)c2O)c1O ZINC000018252351 563851993 /nfs/dbraw/zinc/85/19/93/563851993.db2.gz DNVUYVBRNCWGAK-RNIAWFEPSA-N 0 0 344.414 5.216 40 30 in-vitro EKEBRN CCCCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1ccccc1 ZINC000019095783 212000307 /nfs/dbraw/zinc/00/03/07/212000307.db2.gz CZDLUSFSLSUPJN-UHFFFAOYSA-N 0 0 327.431 5.212 40 30 EKEBRN N#Cc1sc2nc(-c3ccccc3)cc(-c3cccs3)c2c1N ZINC000019141863 564136411 /nfs/dbraw/zinc/13/64/11/564136411.db2.gz TVOGMJYJKPKQFF-UHFFFAOYSA-N 0 0 333.441 5.146 40 30 EKEBRN C=CCOc1ccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000020241941 564024136 /nfs/dbraw/zinc/02/41/36/564024136.db2.gz XFWYLKIUTYIXRZ-CYBMUJFWSA-N 0 0 347.867 5.024 40 30 EKEBRN C=CCOc1ccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000020241943 564024151 /nfs/dbraw/zinc/02/41/51/564024151.db2.gz XFWYLKIUTYIXRZ-ZDUSSCGKSA-N 0 0 347.867 5.024 40 30 EKEBRN Clc1ccccc1/C=N/c1ccc(CSc2ccccc2)cc1 ZINC000020242113 564128145 /nfs/dbraw/zinc/12/81/45/564128145.db2.gz SJFZORHKQSLCAI-HYARGMPZSA-N 0 0 337.875 6.383 40 30 EKEBRN Cc1cccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000020242115 564128159 /nfs/dbraw/zinc/12/81/59/564128159.db2.gz YRTGVPGTNSLJSC-PCLIKHOPSA-N 0 0 329.487 6.213 40 30 EKEBRN COc1cccc(/C=N/c2ccc(CSc3ccccc3)cc2)c1O ZINC000020242120 564128135 /nfs/dbraw/zinc/12/81/35/564128135.db2.gz DMYSIUJYMAYEKP-HYARGMPZSA-N 0 0 349.455 5.444 40 30 EKEBRN CC(C)c1ccc(/C=N/c2ccc(CSc3ccccc3)cc2)cc1 ZINC000020242122 564128163 /nfs/dbraw/zinc/12/81/63/564128163.db2.gz WLTIARVWWHFAIF-LFVJCYFKSA-N 0 0 345.511 6.853 40 30 EKEBRN Cc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000020242127 564128144 /nfs/dbraw/zinc/12/81/44/564128144.db2.gz OQKMDBUVBXSVLB-PCLIKHOPSA-N 0 0 329.487 6.213 40 30 EKEBRN O=[N+]([O-])c1cccc(/C=N/c2ccc(CSc3ccccc3)cc2)c1 ZINC000020242133 564128140 /nfs/dbraw/zinc/12/81/40/564128140.db2.gz UWMCTAFUQIZRLU-KGENOOAVSA-N 0 0 348.427 5.638 40 30 EKEBRN O=[N+]([O-])c1ccc(/C=N/c2ccc(CSc3ccccc3)cc2)cc1 ZINC000020242141 564128143 /nfs/dbraw/zinc/12/81/43/564128143.db2.gz RQMMWNGUYIMVBJ-KGENOOAVSA-N 0 0 348.427 5.638 40 30 EKEBRN COc1cccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000020242151 564128141 /nfs/dbraw/zinc/12/81/41/564128141.db2.gz BBGHOGQWNCHTBC-PCLIKHOPSA-N 0 0 345.486 5.914 40 30 EKEBRN COc1cccc(/C=N/c2ccc(CSc3ccccc3)cc2)c1 ZINC000020242157 564024146 /nfs/dbraw/zinc/02/41/46/564024146.db2.gz APOUTRPHHBAAFU-PXLXIMEGSA-N 0 0 333.456 5.738 40 30 EKEBRN CN(C)c1ccc(/C=N/c2ccc(CSc3ccccc3)cc2)cc1 ZINC000020242163 564128146 /nfs/dbraw/zinc/12/81/46/564128146.db2.gz MJQSVJTZGXBDEG-XQNSMLJCSA-N 0 0 346.499 5.796 40 30 EKEBRN COc1ccccc1/C=N/c1ccc(CSc2ccccc2)cc1 ZINC000020242170 564128155 /nfs/dbraw/zinc/12/81/55/564128155.db2.gz RPAGARRIMPIWCF-PXLXIMEGSA-N 0 0 333.456 5.738 40 30 EKEBRN COc1ccccc1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000020242180 564128171 /nfs/dbraw/zinc/12/81/71/564128171.db2.gz NPAMNWHKHAEQRM-PCLIKHOPSA-N 0 0 345.486 5.914 40 30 EKEBRN O=[N+]([O-])c1ccccc1/C=N/c1ccc(CSc2ccccc2)cc1 ZINC000020242186 564128186 /nfs/dbraw/zinc/12/81/86/564128186.db2.gz AFPAFSYZIVZYTG-KGENOOAVSA-N 0 0 348.427 5.638 40 30 EKEBRN COc1ccc(/C=N/c2ccc(CSc3ccccc3)cc2)cc1 ZINC000020242192 564128170 /nfs/dbraw/zinc/12/81/70/564128170.db2.gz GJRZFTJOJWFVAX-PXLXIMEGSA-N 0 0 333.456 5.738 40 30 EKEBRN Clc1ccccc1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000020242194 564128178 /nfs/dbraw/zinc/12/81/78/564128178.db2.gz VWQSFPLJLPVJJU-MFKUBSTISA-N 0 0 349.905 6.558 40 30 EKEBRN COc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000020242196 564128172 /nfs/dbraw/zinc/12/81/72/564128172.db2.gz HAIRPEQOYZLSKJ-PCLIKHOPSA-N 0 0 345.486 5.914 40 30 EKEBRN Clc1cccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 ZINC000020242198 564128182 /nfs/dbraw/zinc/12/81/82/564128182.db2.gz CXILDXJLILUVEY-MFKUBSTISA-N 0 0 349.905 6.558 40 30 EKEBRN COc1cc(/C=N/c2ccc(CSc3ccccc3)cc2)ccc1O ZINC000020242204 564128180 /nfs/dbraw/zinc/12/81/80/564128180.db2.gz OQPPHSKHGOBVRJ-HYARGMPZSA-N 0 0 349.455 5.444 40 30 EKEBRN CCOc1ccc(/C=N/c2ccc(CSc3ccccc3)cc2)cc1 ZINC000020242214 564128166 /nfs/dbraw/zinc/12/81/66/564128166.db2.gz NBIIGCZEPWXPCH-XQNSMLJCSA-N 0 0 347.483 6.128 40 30 EKEBRN Clc1cccc(/C=N/c2ccc(CSc3ccccc3)cc2)c1 ZINC000020242216 564128165 /nfs/dbraw/zinc/12/81/65/564128165.db2.gz JLOSCMVALUUCTE-HYARGMPZSA-N 0 0 337.875 6.383 40 30 EKEBRN C(=N/c1ccc(CSc2ccccc2)cc1)\c1ccc2c(c1)OCO2 ZINC000020242224 564024142 /nfs/dbraw/zinc/02/41/42/564024142.db2.gz NYXFAIFWLVBHTA-LPYMAVHISA-N 0 0 347.439 5.458 40 30 EKEBRN Clc1ccc(/C=N/c2ccc(CSc3ccccc3)cc2)cc1 ZINC000020242226 564024141 /nfs/dbraw/zinc/02/41/41/564024141.db2.gz DEHOSYAKXKEIPL-HYARGMPZSA-N 0 0 337.875 6.383 40 30 EKEBRN O=[N+]([O-])c1cccc(CSC#CC23CC4CC(CC(C4)C2)C3)c1 ZINC000020437033 212129343 /nfs/dbraw/zinc/12/93/43/212129343.db2.gz CPEIWWGHPOSMCA-UHFFFAOYSA-N 0 0 327.449 5.005 40 30 EKEBRN O=[N+]([O-])c1ccc(CSC#CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000020437038 212129426 /nfs/dbraw/zinc/12/94/26/212129426.db2.gz CRKZUUZSPHCUAU-UHFFFAOYSA-N 0 0 327.449 5.005 40 30 EKEBRN CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000020672567 212160824 /nfs/dbraw/zinc/16/08/24/212160824.db2.gz XPHWGQMCCFYNOB-OAQYLSRUSA-N 0 0 345.446 5.038 40 30 EKEBRN CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(C(C)C)cc1 ZINC000020672570 212159874 /nfs/dbraw/zinc/15/98/74/212159874.db2.gz XPHWGQMCCFYNOB-NRFANRHFSA-N 0 0 345.446 5.038 40 30 EKEBRN COc1ccccc1CN/N=C/c1c2ccccc2cc2ccccc21 ZINC000020762295 257855844 /nfs/dbraw/zinc/85/58/44/257855844.db2.gz MZNVVOHSLNTOFP-PCLIKHOPSA-N 0 0 340.426 5.125 40 30 EKEBRN Cc1ccc2cc(C=NNc3ccc4ccccc4n3)c(Cl)nc2c1 ZINC000020986232 212195106 /nfs/dbraw/zinc/19/51/06/212195106.db2.gz QRWFXNNIENGLKR-WSDLNYQXSA-N 0 0 346.821 5.191 40 30 EKEBRN Cc1sc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c(C#N)c1C ZINC000021595639 564146569 /nfs/dbraw/zinc/14/65/69/564146569.db2.gz FBFKMBJTNGJTRI-PKNBQFBNSA-N 0 0 348.427 5.149 40 30 EKEBRN CC(=O)Nc1ccc2c(c1)/C(=N/c1ccc(C)cc1)c1ccccc1-2 ZINC000022246902 212286681 /nfs/dbraw/zinc/28/66/81/212286681.db2.gz VKKKAOFQQMTMJT-ZNTNEXAZSA-N 0 0 326.399 5.103 40 30 EKEBRN CC(=O)Nc1ccc2c(c1)/C(=N/c1ccc(Cl)cc1)c1ccccc1-2 ZINC000022246906 212286507 /nfs/dbraw/zinc/28/65/07/212286507.db2.gz NNWLPDIQUKGKBD-DARPEHSRSA-N 0 0 346.817 5.448 40 30 EKEBRN CC(=O)Nc1ccc2c(c1)/C(=N/c1cccc(C)c1)c1ccccc1-2 ZINC000022247821 212285834 /nfs/dbraw/zinc/28/58/34/212285834.db2.gz CKMSWANDVYFCMW-ZNTNEXAZSA-N 0 0 326.399 5.103 40 30 EKEBRN N#Cc1cc(Sc2ccccc2)c(Sc2ccccc2)cc1C#N ZINC000024522937 564022822 /nfs/dbraw/zinc/02/28/22/564022822.db2.gz XOHYJKFIHOYQKA-UHFFFAOYSA-N 0 0 344.464 5.732 40 30 EKEBRN Clc1cccc(Cl)c1/C=N\N=C/c1c(Cl)cccc1Cl ZINC000025668193 563887067 /nfs/dbraw/zinc/88/70/67/563887067.db2.gz VVYREDLOWZKKFX-DWVBSFERSA-N 0 0 346.044 5.753 40 30 EKEBRN C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccc(C)cc1 ZINC000026570105 564079076 /nfs/dbraw/zinc/07/90/76/564079076.db2.gz RLJXUGDKLALCET-UHFFFAOYSA-O 0 0 341.887 5.594 40 30 EKEBRN C=CCn1c(-c2ccc(C)cc2)csc1=Nc1ccccc1Cl ZINC000026570136 564079088 /nfs/dbraw/zinc/07/90/88/564079088.db2.gz FQVGRDZONROWFR-UHFFFAOYSA-O 0 0 341.887 5.594 40 30 EKEBRN CCCCC/C=C\C/C=C\C/C=C\C[C@@H]1O[C@@H]1CCCC(=O)OC ZINC000027643582 563897957 /nfs/dbraw/zinc/89/79/57/563897957.db2.gz XGESKIWNDBIILZ-WDWQONJWSA-N 0 0 334.500 5.516 40 30 in-vitro EKEBRN CCCCC/C=C\C/C=C\C/C=C\C[C@H]1O[C@@H]1CCCC(=O)OC ZINC000027643587 202158974 /nfs/dbraw/zinc/15/89/74/202158974.db2.gz XGESKIWNDBIILZ-NWNAUIDISA-N 0 0 334.500 5.516 40 30 in-vitro EKEBRN CCCCC/C=C\C/C=C\C/C=C\C[C@@H]1O[C@H]1CCCC(=O)OC ZINC000027643593 202158651 /nfs/dbraw/zinc/15/86/51/202158651.db2.gz XGESKIWNDBIILZ-KQALHBHESA-N 0 0 334.500 5.516 40 30 in-vitro EKEBRN CCCCC/C=C\C/C=C\C/C=C\C[C@H]1O[C@H]1CCCC(=O)OC ZINC000027643601 202159239 /nfs/dbraw/zinc/15/92/39/202159239.db2.gz XGESKIWNDBIILZ-IPMPHHSQSA-N 0 0 334.500 5.516 40 30 in-vitro EKEBRN CCCCC/C=C\C/C=C\C[C@@H]1O[C@@H]1C/C=C\CCCC(=O)OC ZINC000027643610 212570225 /nfs/dbraw/zinc/57/02/25/212570225.db2.gz XAOMBLXPIQCTNG-XQIKSZHSSA-N 0 0 334.500 5.516 40 30 in-vitro EKEBRN CCCCC/C=C\C/C=C\C[C@H]1O[C@@H]1C/C=C\CCCC(=O)OC ZINC000027643617 563897940 /nfs/dbraw/zinc/89/79/40/563897940.db2.gz XAOMBLXPIQCTNG-AJYBKRTFSA-N 0 0 334.500 5.516 40 30 in-vitro EKEBRN CCCCC/C=C\C/C=C\C[C@@H]1O[C@H]1C/C=C\CCCC(=O)OC ZINC000027643622 202159029 /nfs/dbraw/zinc/15/90/29/202159029.db2.gz XAOMBLXPIQCTNG-DXJNHHOSSA-N 0 0 334.500 5.516 40 30 in-vitro EKEBRN CCCCC/C=C\C/C=C\C[C@H]1O[C@H]1C/C=C\CCCC(=O)OC ZINC000027643629 564133604 /nfs/dbraw/zinc/13/36/04/564133604.db2.gz XAOMBLXPIQCTNG-DPEMXGNVSA-N 0 0 334.500 5.516 40 30 in-vitro EKEBRN CCCCC/C=C\C[C@@H]1O[C@@H]1C/C=C\C/C=C\CCCC(=O)OC ZINC000027643635 564087333 /nfs/dbraw/zinc/08/73/33/564087333.db2.gz DHUPCTVGLDZJCY-GOLRJCCMSA-N 0 0 334.500 5.516 40 30 in-vitro EKEBRN CCCCC/C=C\C[C@H]1O[C@@H]1C/C=C\C/C=C\CCCC(=O)OC ZINC000027643641 564087309 /nfs/dbraw/zinc/08/73/09/564087309.db2.gz DHUPCTVGLDZJCY-NDRDCNGKSA-N 0 0 334.500 5.516 40 30 in-vitro EKEBRN CCCCC/C=C\C[C@@H]1O[C@H]1C/C=C\C/C=C\CCCC(=O)OC ZINC000027643647 202158899 /nfs/dbraw/zinc/15/88/99/202158899.db2.gz DHUPCTVGLDZJCY-LRONMKMGSA-N 0 0 334.500 5.516 40 30 in-vitro EKEBRN CCCCC/C=C\C[C@H]1O[C@H]1C/C=C\C/C=C\CCCC(=O)OC ZINC000027643653 212570165 /nfs/dbraw/zinc/57/01/65/212570165.db2.gz DHUPCTVGLDZJCY-AFRPMPIESA-N 0 0 334.500 5.516 40 30 in-vitro EKEBRN CCCCC[C@@H]1O[C@@H]1C/C=C\C/C=C\C/C=C\CCCC(=O)OC ZINC000027643660 563897885 /nfs/dbraw/zinc/89/78/85/563897885.db2.gz MQCWCUDQEBWUAM-SZSUXLJXSA-N 0 0 334.500 5.516 40 30 in-vitro EKEBRN CCCCC[C@H]1O[C@@H]1C/C=C\C/C=C\C/C=C\CCCC(=O)OC ZINC000027643666 563897873 /nfs/dbraw/zinc/89/78/73/563897873.db2.gz MQCWCUDQEBWUAM-NBEFSIDISA-N 0 0 334.500 5.516 40 30 in-vitro EKEBRN CCCCC[C@@H]1O[C@H]1C/C=C\C/C=C\C/C=C\CCCC(=O)OC ZINC000027643673 202158488 /nfs/dbraw/zinc/15/84/88/202158488.db2.gz MQCWCUDQEBWUAM-OFRRZYGASA-N 0 0 334.500 5.516 40 30 in-vitro EKEBRN CCCCC[C@H]1O[C@H]1C/C=C\C/C=C\C/C=C\CCCC(=O)OC ZINC000027643679 202159065 /nfs/dbraw/zinc/15/90/65/202159065.db2.gz MQCWCUDQEBWUAM-AWVFLLPBSA-N 0 0 334.500 5.516 40 30 in-vitro EKEBRN CC/C=C\C/C=C\C/C=C\C/C=C\C[C@@H]1O[C@@H]1CCCC(=O)OC ZINC000027644480 212570125 /nfs/dbraw/zinc/57/01/25/212570125.db2.gz BDSCYYACNUKQLZ-VWOCPBBNSA-N 0 0 332.484 5.292 40 30 in-vitro EKEBRN CC/C=C\C/C=C\C/C=C\C/C=C\C[C@H]1O[C@@H]1CCCC(=O)OC ZINC000027644487 212570081 /nfs/dbraw/zinc/57/00/81/212570081.db2.gz BDSCYYACNUKQLZ-RYZIQVHASA-N 0 0 332.484 5.292 40 30 in-vitro EKEBRN CC/C=C\C/C=C\C/C=C\C/C=C\C[C@@H]1O[C@H]1CCCC(=O)OC ZINC000027644493 563897927 /nfs/dbraw/zinc/89/79/27/563897927.db2.gz BDSCYYACNUKQLZ-KTKJSLPXSA-N 0 0 332.484 5.292 40 30 in-vitro EKEBRN CC/C=C\C/C=C\C/C=C\C/C=C\C[C@H]1O[C@H]1CCCC(=O)OC ZINC000027644499 212570087 /nfs/dbraw/zinc/57/00/87/212570087.db2.gz BDSCYYACNUKQLZ-AECQIINDSA-N 0 0 332.484 5.292 40 30 in-vitro EKEBRN Cc1ccc(C(C)N=Nc2nc(-c3ccc(Cl)cc3)cs2)o1 ZINC000027830059 518466872 /nfs/dbraw/zinc/46/68/72/518466872.db2.gz HRUVIZBUNVNFRZ-YBFXNURJSA-N 0 0 331.828 5.201 40 30 EKEBRN O=C(C=CNc1cccc(C(F)(F)F)c1)c1cccc2ccccc21 ZINC000027906101 564129855 /nfs/dbraw/zinc/12/98/55/564129855.db2.gz TZFGRTSQZHOWCK-VAWYXSNFSA-N 0 0 341.332 5.667 40 30 EKEBRN CCCCCCCC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000029749215 519965027 /nfs/dbraw/zinc/96/50/27/519965027.db2.gz HKWQGALRNDJVOY-UHFFFAOYSA-N 0 0 344.499 5.048 40 30 EKEBRN N#Cc1ccc(/C=C\c2ccc(/C=C\c3ccc(C#N)cc3)cc2)cc1 ZINC000031372566 564159367 /nfs/dbraw/zinc/15/93/67/564159367.db2.gz KIAAMJMIIHTGBH-SFECMWDFSA-N 0 0 332.406 5.771 40 30 EKEBRN O=C1c2cccc3cccc(c23)/C1=C1/c2cccc3cccc(c23)C1=O ZINC000031623670 563912892 /nfs/dbraw/zinc/91/28/92/563912892.db2.gz DOTLEUORWLAKLE-QURGRASLSA-N 0 0 332.358 5.296 40 30 EKEBRN O=C1c2cccc3cccc(c23)/C1=C1\c2cccc3cccc(c23)C1=O ZINC000031623671 563912886 /nfs/dbraw/zinc/91/28/86/563912886.db2.gz DOTLEUORWLAKLE-DQRAZIAOSA-N 0 0 332.358 5.296 40 30 EKEBRN O=C(/C(Cl)=C\c1ccc(Cl)cc1)c1cc(Cl)ccc1Cl ZINC000031637308 212741191 /nfs/dbraw/zinc/74/11/91/212741191.db2.gz QPGXKPZDIWGONY-VGOFMYFVSA-N 0 0 346.040 6.109 40 30 EKEBRN O=C1/C(=C/C=C\c2ccccc2)CCC/C1=C/C=C/c1ccccc1 ZINC000031667383 563912883 /nfs/dbraw/zinc/91/28/83/563912883.db2.gz CTQRVSIAFMWYTR-FYMWNJRISA-N 0 0 326.439 6.019 40 30 EKEBRN O=C1C(=O)/C(=C\c2ccccc2)CCCCCC/C1=C\c1ccccc1 ZINC000031669917 563912877 /nfs/dbraw/zinc/91/28/77/563912877.db2.gz GPQZWIGTGCTQJK-QGFZOGOGSA-N 0 0 344.454 5.646 40 30 EKEBRN O=C1/C(=C/C=C\c2ccccc2)CCCC/C1=C/C=C/c1ccccc1 ZINC000031669918 563912896 /nfs/dbraw/zinc/91/28/96/563912896.db2.gz ONORUXCYOUKTBD-XCEVCIGDSA-N 0 0 340.466 6.409 40 30 EKEBRN COc1ccc2c(C)cc(NN=Cc3cccc4ccccc34)nc2c1 ZINC000031769283 563912982 /nfs/dbraw/zinc/91/29/82/563912982.db2.gz GVRRAPUTANBYSC-UCQKPKSFSA-N 0 0 341.414 5.151 40 30 EKEBRN Cc1cccc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000031904276 563913185 /nfs/dbraw/zinc/91/31/85/563913185.db2.gz TWRMGOAKLXTABH-GRSHGNNSSA-N 0 0 327.840 5.218 40 30 EKEBRN O=C(C=CNc1ccc(N=Nc2ccccc2)cc1)c1ccccc1 ZINC000032100052 563913302 /nfs/dbraw/zinc/91/33/02/563913302.db2.gz CJHWTYVEIFQMQR-CABHBREESA-N 0 0 327.387 5.911 40 30 EKEBRN Cc1ccc(C(=O)C=CNc2ccc(N=Nc3ccccc3)cc2)cc1 ZINC000032100088 563913467 /nfs/dbraw/zinc/91/34/67/563913467.db2.gz DHZKZZNYLTUXJU-VDNSQZRBSA-N 0 0 341.414 6.219 40 30 EKEBRN O=C(C=CNc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000032100116 563913464 /nfs/dbraw/zinc/91/34/64/563913464.db2.gz GCCMRWGYCYNLID-CCEZHUSRSA-N 0 0 349.817 5.941 40 30 EKEBRN O=C(C=CNc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1 ZINC000032100141 202221234 /nfs/dbraw/zinc/22/12/34/202221234.db2.gz DYDZVQMPGVTRBH-AATRIKPKSA-N 0 0 326.610 5.455 40 30 EKEBRN O=C(C=CNc1cccc(Cl)c1Cl)c1ccc(Cl)cc1 ZINC000032100144 202221721 /nfs/dbraw/zinc/22/17/21/202221721.db2.gz AVJCIWQSIBRMIT-CMDGGOBGSA-N 0 0 326.610 5.455 40 30 EKEBRN CCOc1ccccc1NC=CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000032100189 563913462 /nfs/dbraw/zinc/91/34/62/563913462.db2.gz AYNARJXPRQWNCH-WUKNDPDISA-N 0 0 343.426 5.561 40 30 EKEBRN Cc1ccc(Cl)cc1NC=CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000032100210 563913472 /nfs/dbraw/zinc/91/34/72/563913472.db2.gz CLWHILSGNCHZQL-BUHFOSPRSA-N 0 0 347.845 6.124 40 30 EKEBRN Cc1cccc(NC=CC(=O)c2ccc(-c3ccccc3)cc2)c1C ZINC000032100220 563913452 /nfs/dbraw/zinc/91/34/52/563913452.db2.gz VZOYHPMBTRYRFP-FOCLMDBBSA-N 0 0 327.427 5.779 40 30 EKEBRN Cc1ccc(C)c(NC=CC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000032100223 563913484 /nfs/dbraw/zinc/91/34/84/563913484.db2.gz ZSNAYFHXRBENID-CCEZHUSRSA-N 0 0 327.427 5.779 40 30 EKEBRN Cc1cccc(C)c1NC=CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000032100226 563913499 /nfs/dbraw/zinc/91/34/99/563913499.db2.gz IDTMZVWVDFSBMZ-FOCLMDBBSA-N 0 0 327.427 5.779 40 30 EKEBRN CCc1cccc(C)c1NC=CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000032100228 563913488 /nfs/dbraw/zinc/91/34/88/563913488.db2.gz FEDINKJPUYJAPH-WUKNDPDISA-N 0 0 341.454 6.033 40 30 EKEBRN Cc1c(Cl)cccc1NC=CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000032100258 563913501 /nfs/dbraw/zinc/91/35/01/563913501.db2.gz XCWGVUJFNLFVRD-CCEZHUSRSA-N 0 0 347.845 6.124 40 30 EKEBRN COc1ccc(C(=O)C=C(C)Nc2ccc(Cl)cc2Cl)cc1 ZINC000032100368 212788717 /nfs/dbraw/zinc/78/87/17/212788717.db2.gz LOSDRCBMHJNRPH-PKNBQFBNSA-N 0 0 336.218 5.201 40 30 EKEBRN CC(=CC(=O)c1ccc(C)cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000032100404 563913500 /nfs/dbraw/zinc/91/35/00/563913500.db2.gz CPLNVXREJSIPNV-FBMGVBCBSA-N 0 0 343.426 5.986 40 30 EKEBRN CC(=CC(=O)c1ccc(Br)cc1)Nc1cc(C)ccc1C ZINC000032100476 212788837 /nfs/dbraw/zinc/78/88/37/212788837.db2.gz AYBOHWNCOFZPLM-SDNWHVSQSA-N 0 0 344.252 5.265 40 30 EKEBRN CC(=CC(=O)c1ccc(Br)cc1)Nc1c(C)cccc1C ZINC000032100478 563913475 /nfs/dbraw/zinc/91/34/75/563913475.db2.gz ZIVYDPQSPULQCT-SDNWHVSQSA-N 0 0 344.252 5.265 40 30 EKEBRN CC(=CC(=O)c1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000032100536 212788410 /nfs/dbraw/zinc/78/84/10/212788410.db2.gz BJFQMUFHQRBKPH-PKNBQFBNSA-N 0 0 339.744 5.557 40 30 EKEBRN CC(=CC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000032100573 212788763 /nfs/dbraw/zinc/78/87/63/212788763.db2.gz NDCZSWUZYAOQBO-CSKARUKUSA-N 0 0 340.637 5.845 40 30 EKEBRN CC(=CC(=O)c1ccc(Cl)cc1)Nc1cccc(Cl)c1Cl ZINC000032100575 212788730 /nfs/dbraw/zinc/78/87/30/212788730.db2.gz VBGQTIKABQNRPP-MDZDMXLPSA-N 0 0 340.637 5.845 40 30 EKEBRN CC(=CC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1Cl ZINC000032100585 563913502 /nfs/dbraw/zinc/91/35/02/563913502.db2.gz MURRNRNJGYMPJI-CSKARUKUSA-N 0 0 340.637 5.845 40 30 EKEBRN CC(=CC(=O)c1cccnc1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000032100631 563913494 /nfs/dbraw/zinc/91/34/94/563913494.db2.gz CARYZHDZTGBTBD-KGUNYZKOSA-N 0 0 342.402 5.696 40 30 EKEBRN Oc1c(/C=N/c2ccc(Br)cc2)ccc2ccccc12 ZINC000032101580 202221439 /nfs/dbraw/zinc/22/14/39/202221439.db2.gz GHNSLMGYVKZPQV-YBFXNURJSA-N 0 0 326.193 5.059 40 30 EKEBRN Oc1c(/C=N/c2cccc(Br)c2)ccc2ccccc12 ZINC000032101584 202221081 /nfs/dbraw/zinc/22/10/81/202221081.db2.gz NFTVASZWBBPDGV-YBFXNURJSA-N 0 0 326.193 5.059 40 30 EKEBRN Oc1c(/C=N/c2ccc(Oc3ccccc3)cc2)ccc2ccccc21 ZINC000032101631 202221875 /nfs/dbraw/zinc/22/18/75/202221875.db2.gz FBDYQLDIFTXMEX-LFVJCYFKSA-N 0 0 339.394 6.088 40 30 EKEBRN O=C(ON=C1c2ccccc2-c2ccccc21)c1cccc2ccccc21 ZINC000032116623 563913551 /nfs/dbraw/zinc/91/35/51/563913551.db2.gz SAIAMLLHEVEJHR-UHFFFAOYSA-N 0 0 349.389 5.430 40 30 EKEBRN CCOc1ccc(-n2c(C)cc(/C=N\OCc3ccccc3)c2C)cc1 ZINC000032125508 563913520 /nfs/dbraw/zinc/91/35/20/563913520.db2.gz UHPWBWKZFVMWBK-HAHDFKILSA-N 0 0 348.446 5.044 40 30 EKEBRN Cc1ccc(Cl)c(NC=CC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000032138866 563913670 /nfs/dbraw/zinc/91/36/70/563913670.db2.gz OCKKHGTZLKGBAA-BUHFOSPRSA-N 0 0 347.845 6.124 40 30 EKEBRN O=C1N=C(Nc2ccc(F)cc2)C(=Cc2ccc(Cl)cc2)S1 ZINC000032594542 202228464 /nfs/dbraw/zinc/22/84/64/202228464.db2.gz JHTJQRBMGTUCJR-ZROIWOOFSA-N 0 0 332.787 5.007 40 30 EKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)NCCO ZINC000032787130 564079336 /nfs/dbraw/zinc/07/93/36/564079336.db2.gz BOWVQLFMWHZBEF-MDZDMXLPSA-N 0 0 325.537 5.132 40 30 in-vitro EKEBRN Brc1cccc2cc(C=NNc3ccccc3)ccc12 ZINC000033368462 563915979 /nfs/dbraw/zinc/91/59/79/563915979.db2.gz CTIGYEJQXCSSSD-UNOMPAQXSA-N 0 0 325.209 5.048 40 30 EKEBRN O=C(/C=C/c1cccc2ccccc12)c1cccc(Br)c1 ZINC000033632658 564050205 /nfs/dbraw/zinc/05/02/05/564050205.db2.gz ZWVACMFFDRKAKQ-VAWYXSNFSA-N 0 0 337.216 5.498 40 30 EKEBRN N#CCSc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000033660022 564050224 /nfs/dbraw/zinc/05/02/24/564050224.db2.gz SZSVJUKFLGTGLM-UHFFFAOYSA-N 0 0 348.258 5.007 40 30 EKEBRN CC/C(=N/NC(=S)Nc1ccc(C)cc1C)c1cccc(Cl)c1 ZINC000033669450 520176986 /nfs/dbraw/zinc/17/69/86/520176986.db2.gz XABYYQFRAPNGBB-PGMHBOJBSA-N 0 0 345.899 5.058 40 30 EKEBRN CSC(=S)N(/C=C/C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000033692181 525285441 /nfs/dbraw/zinc/28/54/41/525285441.db2.gz UASNZLYGMOPFRA-VAWYXSNFSA-N 0 0 347.892 5.191 40 30 EKEBRN O=C(C=CNc1ccc(F)cc1F)c1ccc(Cl)c(Cl)c1 ZINC000033714729 564129909 /nfs/dbraw/zinc/12/99/09/564129909.db2.gz JYVAKDIXDXGQLA-AATRIKPKSA-N 0 0 328.145 5.080 40 30 EKEBRN Cc1ccsc1/C=C1/S/C(=N\c2ccccc2)N(C(C)C)C1=O ZINC000033731623 564050199 /nfs/dbraw/zinc/05/01/99/564050199.db2.gz DAIGAYWNXAZHEF-BDYZYUDZSA-N 0 0 342.489 5.069 40 30 EKEBRN CC(C)Oc1ccc(C(=O)C=CNc2cccc(C(F)(F)F)c2)cc1 ZINC000033737666 564129872 /nfs/dbraw/zinc/12/98/72/564129872.db2.gz BDCUELZVQQXWJF-ZHACJKMWSA-N 0 0 349.352 5.301 40 30 EKEBRN O=C(C=CNc1ccc(F)c(F)c1)c1ccc(-c2ccccc2)cc1 ZINC000033740775 564129910 /nfs/dbraw/zinc/12/99/10/564129910.db2.gz WOMCRDRIAAHHPK-OUKQBFOZSA-N 0 0 335.353 5.440 40 30 EKEBRN Cc1ccc(/N=C/c2cc(F)c(N3CCCC3)cc2C)cc1Cl ZINC000033741902 564129869 /nfs/dbraw/zinc/12/98/69/564129869.db2.gz VKJAQQQFJXLRLC-WSDLNYQXSA-N 0 0 330.834 5.447 40 30 EKEBRN CCC(=NNc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000033778032 564085895 /nfs/dbraw/zinc/08/58/95/564085895.db2.gz HAZUCLVSMICJDI-CYVLTUHYSA-N 0 0 338.194 5.128 40 30 EKEBRN CC(C)(C)c1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1 ZINC000033781922 202268855 /nfs/dbraw/zinc/26/88/55/202268855.db2.gz CSFFSPXWXPVZEG-FMIVXFBMSA-N 0 0 343.264 5.643 40 30 EKEBRN O/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000033785574 564129874 /nfs/dbraw/zinc/12/98/74/564129874.db2.gz CFRAKHMKYRWUSO-CNHKJKLMSA-N 0 0 330.598 5.034 40 30 EKEBRN C[C@@H]1CC(N=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC(C)(C)C1 ZINC000033880602 568415098 /nfs/dbraw/zinc/41/50/98/568415098.db2.gz LRQLZZCNRGVQPM-TYYASITHSA-N 0 0 343.349 5.228 40 30 EKEBRN C[C@H]1CC(N=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC(C)(C)C1 ZINC000033880603 202270209 /nfs/dbraw/zinc/27/02/09/202270209.db2.gz LRQLZZCNRGVQPM-IRTGHPOMSA-N 0 0 343.349 5.228 40 30 EKEBRN CCc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000033958958 564050270 /nfs/dbraw/zinc/05/02/70/564050270.db2.gz LTAVCTDYYXWKQC-RGVLZGJSSA-N 0 0 341.867 5.472 40 30 EKEBRN C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1/C[C@H](OC)OC1=O ZINC000034093791 564087396 /nfs/dbraw/zinc/08/73/96/564087396.db2.gz AXVHMYNDGVQIQD-ZPLDTULASA-N 0 0 332.484 5.021 40 30 EKEBRN C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1/C[C@@H](OC)OC1=O ZINC000034093793 564079383 /nfs/dbraw/zinc/07/93/83/564079383.db2.gz AXVHMYNDGVQIQD-XKIWCSFUSA-N 0 0 332.484 5.021 40 30 EKEBRN CCC(N=Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000034106366 564085897 /nfs/dbraw/zinc/08/58/97/564085897.db2.gz DBOQVHHRBVTNIU-AQTBWJFISA-N 0 0 338.194 5.128 40 30 EKEBRN CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(COCCC#N)CCC[C@@]21C ZINC000034261499 202272831 /nfs/dbraw/zinc/27/28/31/202272831.db2.gz KNDKKHHPKWWADZ-VABKMULXSA-N 0 0 339.523 5.751 40 30 EKEBRN O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000034470008 563918206 /nfs/dbraw/zinc/91/82/06/563918206.db2.gz OXCWBCIPYMWDBG-ZZXKWVIFSA-N 0 0 346.040 6.196 40 30 EKEBRN Cc1ccc(C(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)cc1 ZINC000034791590 202276716 /nfs/dbraw/zinc/27/67/16/202276716.db2.gz ZTIWLFUREQEIHR-UHFFFAOYSA-N 0 0 346.455 5.007 40 30 EKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)C(F)(F)F ZINC000034803424 202277334 /nfs/dbraw/zinc/27/73/34/202277334.db2.gz SOJGXPSMVNTNQL-MDZDMXLPSA-N 0 0 334.466 7.155 40 30 EKEBRN CCc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(N)n2)cc1 ZINC000034953724 564057485 /nfs/dbraw/zinc/05/74/85/564057485.db2.gz QPGAHMCSELDQFG-UHFFFAOYSA-N 0 0 333.822 5.085 40 30 EKEBRN Cc1nc(N)c(C#N)c(-c2ccc(C(C)C)cc2)c1-c1ccccc1 ZINC000034954068 564024456 /nfs/dbraw/zinc/02/44/56/564024456.db2.gz CILPMVPXLSGZJT-UHFFFAOYSA-N 0 0 327.431 5.301 40 30 EKEBRN C=CCn1c(-c2ccccc2)csc1=Nc1ccccc1Cl ZINC000035026068 213004743 /nfs/dbraw/zinc/00/47/43/213004743.db2.gz ZYTGZTFHIIKMAW-UHFFFAOYSA-O 0 0 327.860 5.286 40 30 EKEBRN CC(N=Nc1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1 ZINC000035170199 564128454 /nfs/dbraw/zinc/12/84/54/564128454.db2.gz DUJXGAUEPZFCOM-UDWIEESQSA-N 0 0 327.840 5.300 40 30 EKEBRN CC(C)c1ccc2nc(SCC(=O)c3ccccc3)c(C#N)cc2c1 ZINC000035288896 213017723 /nfs/dbraw/zinc/01/77/23/213017723.db2.gz AMMOWJLUMIPSIO-UHFFFAOYSA-N 0 0 346.455 5.205 40 30 EKEBRN Cc1ccc(C(=O)CSc2nc3c(C)cc(C)cc3cc2C#N)cc1 ZINC000035289030 213017879 /nfs/dbraw/zinc/01/78/79/213017879.db2.gz NDSKVZYCJWTKKI-UHFFFAOYSA-N 0 0 346.455 5.007 40 30 EKEBRN Cc1ccc(C(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)cc1 ZINC000035289033 564077222 /nfs/dbraw/zinc/07/72/22/564077222.db2.gz YFTSBHBPIBNXEF-UHFFFAOYSA-N 0 0 346.455 5.007 40 30 EKEBRN CC(=NN=c1[nH]c2ccccc2s1)c1ccc(-c2ccccc2)cc1 ZINC000035396468 564129931 /nfs/dbraw/zinc/12/99/31/564129931.db2.gz JZVCKDGFQVHYHD-HAHDFKILSA-N 0 0 343.455 5.799 40 30 EKEBRN O=C(/C=C/Sc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1 ZINC000035586092 202307594 /nfs/dbraw/zinc/30/75/94/202307594.db2.gz KULFFEDTSHPCGX-BQYQJAHWSA-N 0 0 327.207 5.621 40 30 EKEBRN C=C1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](OC(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000036020410 213056875 /nfs/dbraw/zinc/05/68/75/213056875.db2.gz USISGGVIAQLXQF-CPDXTSBQSA-N 0 0 330.512 5.517 40 30 EKEBRN CC[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O ZINC000036025403 213056640 /nfs/dbraw/zinc/05/66/40/213056640.db2.gz MXMFBDWUIIDGDY-INACUINTSA-N 0 0 342.523 5.360 40 30 EKEBRN C=CCOc1ccc([C@@H]2Nc3ccc(C(C)=O)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000036080665 563643016 /nfs/dbraw/zinc/64/30/16/563643016.db2.gz XARGCSGHPKLANJ-QTEQDKRBSA-N 0 0 345.442 5.281 40 30 EKEBRN O=C(/C=C/c1ccccc1)c1ccc(C(=O)/C=C\c2ccccc2)cc1 ZINC000036223792 527633619 /nfs/dbraw/zinc/63/36/19/527633619.db2.gz YDJKHVQLADEYIK-MJZABRMRSA-N 0 0 338.406 5.479 40 30 EKEBRN CCN1c2ccccc2C=C/C1=C\C=C1/CCc2ccccc2C1=O ZINC000036294023 132392076 /nfs/dbraw/zinc/39/20/76/132392076.db2.gz OKSGZNOCNODWPP-XHGFWWIISA-N 0 0 327.427 5.179 40 30 EKEBRN CCN1c2ccccc2S/C1=C\C=C1/CCc2ccccc2C1=O ZINC000036294033 213082396 /nfs/dbraw/zinc/08/23/96/213082396.db2.gz YSUNOCYISGYCCX-SDEVTQOVSA-N 0 0 333.456 5.216 40 30 EKEBRN CCCCCCCCCCCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000036330560 563644827 /nfs/dbraw/zinc/64/48/27/563644827.db2.gz FRFKXRWIBACCCN-UHFFFAOYSA-N 0 0 333.560 5.992 40 30 in-vivo EKEBRN CC(C)[C@H]1CC[C@@H](C)/C(=C/C=C2\C(=O)[C@@H](C(C)C)CC[C@H]2C)C1=O ZINC000036610868 213100128 /nfs/dbraw/zinc/10/01/28/213100128.db2.gz CDLMGTMYJCSWTE-CVZSNGBOSA-N 0 0 330.512 5.382 40 30 EKEBRN CCCCCCCCCCCCCCCCCC[C@H]([NH3+])C(=O)[O-] ZINC000038154254 213204323 /nfs/dbraw/zinc/20/43/23/213204323.db2.gz NHWDPCHMQMJMRM-IBGZPJMESA-N 0 0 327.553 6.050 40 30 EKEBRN CCCCCCCCCCCCCCCCCC[C@@H]([NH3+])C(=O)[O-] ZINC000038154255 202399952 /nfs/dbraw/zinc/39/99/52/202399952.db2.gz NHWDPCHMQMJMRM-LJQANCHMSA-N 0 0 327.553 6.050 40 30 EKEBRN CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2C=CC=C1C(=O)[C@@]2(C)CC[C@@H]1C2(C)C ZINC000038167074 213203968 /nfs/dbraw/zinc/20/39/68/213203968.db2.gz FVZOOJLCWIRRQE-VANJLHIMSA-N 0 0 340.507 5.280 40 30 EKEBRN CC/C(=N/NC(=S)Nc1ccc(C)c(C)c1)c1cccc(Cl)c1 ZINC000038204462 520176451 /nfs/dbraw/zinc/17/64/51/520176451.db2.gz BSJJXGWEPDRSAE-FXBPSFAMSA-N 0 0 345.899 5.058 40 30 EKEBRN N#Cc1ccccc1/C=C\c1ccc(/C=C\c2ccccc2C#N)cc1 ZINC000038611160 213217259 /nfs/dbraw/zinc/21/72/59/213217259.db2.gz RBABXJPJIHMBBP-VMNXYWKNSA-N 0 0 332.406 5.771 40 30 EKEBRN N#Cc1ccccc1/C=C/c1ccc(/C=C\c2ccccc2C#N)cc1 ZINC000038611161 213217642 /nfs/dbraw/zinc/21/76/42/213217642.db2.gz RBABXJPJIHMBBP-VCFJNTAESA-N 0 0 332.406 5.771 40 30 EKEBRN C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CC[C@@H]4CC=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000038611223 213217417 /nfs/dbraw/zinc/21/74/17/213217417.db2.gz SQRBBVVZRKZEPF-KIYFCUGLSA-N 0 0 340.507 5.130 40 30 EKEBRN Cc1sc(N=NCc2ccccc2Cl)nc1-c1ccccc1 ZINC000038706214 213222097 /nfs/dbraw/zinc/22/20/97/213222097.db2.gz UKSGPEOMFYHNMY-YBFXNURJSA-N 0 0 327.840 5.218 40 30 EKEBRN c1ccc(N=NC2CCC[C@@H]3C(N=Nc4ccccc4)CCC[C@@H]23)cc1 ZINC000038801925 202408359 /nfs/dbraw/zinc/40/83/59/202408359.db2.gz QPWBQKFQGBTMQA-ROBIAQTMSA-N 0 0 346.478 5.523 40 30 EKEBRN COc1nc2c(c(-c3ccc(Cl)cc3)c1C#N)CCc1ccccc1-2 ZINC000039234447 257854538 /nfs/dbraw/zinc/85/45/38/257854538.db2.gz QEVVROCYAJFQDK-UHFFFAOYSA-N 0 0 346.817 5.048 40 30 EKEBRN CC(=O)CCC1=C2CC[C@]3(C)[C@@H](OC(C)(C)C)CC[C@H]3[C@@H]2CCC1=O ZINC000039345956 564129919 /nfs/dbraw/zinc/12/99/19/564129919.db2.gz OBRDGAGUNIRKMQ-NTPMHYTDSA-N 0 0 346.511 5.025 40 30 EKEBRN Oc1ccc2ccccc2c1/C=N/c1ccc(F)c(C(F)(F)F)c1 ZINC000039379105 563899888 /nfs/dbraw/zinc/89/98/88/563899888.db2.gz HTCDZDOHEUZFIE-AUEPDCJTSA-N 0 0 333.284 5.454 40 30 EKEBRN CCCCC[C@@H]1O[C@@H]1C/C=C/C/C=C/C/C=C/CCCC(=O)OC ZINC000039381660 564024592 /nfs/dbraw/zinc/02/45/92/564024592.db2.gz MQCWCUDQEBWUAM-RXPYOIKUSA-N 0 0 334.500 5.516 40 30 EKEBRN CC(C)[C@H]1CC[C@@H](C)/C(=C\C=C2\C(=O)[C@@H](C(C)C)CC[C@H]2C)C1=O ZINC000039738113 213242633 /nfs/dbraw/zinc/24/26/33/213242633.db2.gz CDLMGTMYJCSWTE-HWIVGSRNSA-N 0 0 330.512 5.382 40 30 EKEBRN CC(C)N=Nc1nc2ccc(-c3nc4ccccc4s3)cc2s1 ZINC000040542357 213345066 /nfs/dbraw/zinc/34/50/66/213345066.db2.gz AMMOBHBZYXIDMB-UHFFFAOYSA-N 0 0 338.461 5.381 40 30 EKEBRN Cc1ccc2oc(-c3ccc4nc(N=NC(C)C)sc4c3)nc2c1 ZINC000040542371 213344436 /nfs/dbraw/zinc/34/44/36/213344436.db2.gz GRGQBTHCOXWKJG-UHFFFAOYSA-N 0 0 336.420 5.221 40 30 EKEBRN C=CCc1c(C)nc(-c2ccccc2)nc1Nc1cc(C)ccc1OC ZINC000040556506 213350865 /nfs/dbraw/zinc/35/08/65/213350865.db2.gz PPVFFQBOEXNMKG-UHFFFAOYSA-N 0 0 345.446 5.241 40 30 EKEBRN CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](C)CO ZINC000043411296 563925627 /nfs/dbraw/zinc/92/56/27/563925627.db2.gz IPVYNYWIRWMRHH-JPMGXVIASA-N 0 0 339.564 5.521 40 30 in-vitro EKEBRN CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H]1CO1 ZINC000043569509 519971333 /nfs/dbraw/zinc/97/13/33/519971333.db2.gz VWYIWOYBERNXLX-QJRAZLAKSA-N 0 0 338.532 5.966 40 30 in-vivo EKEBRN CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]1CO1 ZINC000043569511 519970796 /nfs/dbraw/zinc/97/07/96/519970796.db2.gz VWYIWOYBERNXLX-GDCKJWNLSA-N 0 0 338.532 5.966 40 30 in-vivo EKEBRN CCCCCCCCCCCCC/C=C/C=C/C(=O)NCC(C)C ZINC000043617340 563925950 /nfs/dbraw/zinc/92/59/50/563925950.db2.gz QQCGKIZHTJLRNN-NBRVCOCJSA-N 0 0 335.576 6.572 40 30 biogenic,in-vitro EKEBRN CCCCCCCCCCCCCCCCCCC(CO)CO ZINC000043683172 563925903 /nfs/dbraw/zinc/92/59/03/563925903.db2.gz HUHIKZFEXLRXRB-UHFFFAOYSA-N 0 0 328.581 6.239 40 30 EKEBRN C/C(=C\CC/C(C)=N/O)CC[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]12C ZINC000043735869 563925891 /nfs/dbraw/zinc/92/58/91/563925891.db2.gz SUIVXLJKUVOXKD-XACSIHIESA-N 0 0 345.571 7.142 40 30 EKEBRN C/C(=C\CC/C(C)=N/O)CC[C@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@@]12C ZINC000043735870 563925881 /nfs/dbraw/zinc/92/58/81/563925881.db2.gz SUIVXLJKUVOXKD-NWKQIJIYSA-N 0 0 345.571 7.142 40 30 EKEBRN CC1(C)OC12[C@@H]1CC[C@H]2c2c1c(Cl)c(Cl)c(Cl)c2Cl ZINC000045071208 563928860 /nfs/dbraw/zinc/92/88/60/563928860.db2.gz PFMYBKPRUIJMGV-GDCRSALOSA-N 0 0 338.061 5.822 40 30 EKEBRN C=C(C)C1(O)[C@@H]2CC[C@H]1c1c2c(Cl)c(Cl)c(Cl)c1Cl ZINC000045071241 213705031 /nfs/dbraw/zinc/70/50/31/213705031.db2.gz BSPYPTZTVZADKJ-IOETWPSPSA-N 0 0 338.061 5.582 40 30 EKEBRN CCN(CC)c1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000045190148 204319034 /nfs/dbraw/zinc/31/90/34/204319034.db2.gz HADKPWNXMPVUTG-UHFFFAOYSA-N 0 0 327.431 5.133 40 30 EKEBRN CCCCCCCCn1c2ccccc2nc1-c1ccc(OC)cc1 ZINC000050861330 214072307 /nfs/dbraw/zinc/07/23/07/214072307.db2.gz NFODRQPWHZWULE-UHFFFAOYSA-N 0 0 336.479 6.072 40 30 EKEBRN CCCCCCCC/C=C\CCCCCCCC(=O)N1CCCCC1 ZINC000058592638 519969208 /nfs/dbraw/zinc/96/92/08/519969208.db2.gz MSYHTCRNDOWWKR-KTKRTIGZSA-N 0 0 349.603 7.036 40 30 EKEBRN O=C1Nc2ccc(Cl)cc2C1=NNc1ccc(Cl)cc1Cl ZINC000058673295 563947086 /nfs/dbraw/zinc/94/70/86/563947086.db2.gz PBDDEVSMILCNHR-UHFFFAOYSA-N 0 0 340.597 5.065 40 30 EKEBRN Clc1ccc(-c2ccc(C=NNc3ccccc3)o2)c(Cl)c1 ZINC000058822528 564050374 /nfs/dbraw/zinc/05/03/74/564050374.db2.gz OPDNRJOMCUNAGN-RGVLZGJSSA-N 0 0 331.202 5.699 40 30 EKEBRN Clc1ccccc1COc1ccccc1C=NNc1ccccc1 ZINC000058822573 257853629 /nfs/dbraw/zinc/85/36/29/257853629.db2.gz SXEZVJKCEQNVFR-HYARGMPZSA-N 0 0 336.822 5.365 40 30 EKEBRN Clc1ccc(COc2ccccc2C=NNc2ccccc2)cc1 ZINC000058822575 257853532 /nfs/dbraw/zinc/85/35/32/257853532.db2.gz ZYOCVKKGAPHISV-HYARGMPZSA-N 0 0 336.822 5.365 40 30 EKEBRN Clc1ccccc1COc1ccc(C=NNc2ccccc2)cc1 ZINC000058822583 564050361 /nfs/dbraw/zinc/05/03/61/564050361.db2.gz RRVFUYYMVLCCME-HYARGMPZSA-N 0 0 336.822 5.365 40 30 EKEBRN Clc1ccccc1COc1cccc(C=NNc2ccccc2)c1 ZINC000058822585 564050352 /nfs/dbraw/zinc/05/03/52/564050352.db2.gz IWDNOYRITKZXLA-HYARGMPZSA-N 0 0 336.822 5.365 40 30 EKEBRN CCOc1cc(C=NNc2ccccc2)ccc1OCc1ccccc1 ZINC000058822644 564050363 /nfs/dbraw/zinc/05/03/63/564050363.db2.gz IPZJMRZAXIDYFD-XQNSMLJCSA-N 0 0 346.430 5.110 40 30 EKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(C)c(C)c2)c1C ZINC000059104088 564050395 /nfs/dbraw/zinc/05/03/95/564050395.db2.gz KHFHTMIABPTOTI-MFKUBSTISA-N 0 0 344.502 6.332 40 30 EKEBRN CCCCc1ccc(/N=C/c2cc(Br)c(N(C)C)o2)cc1 ZINC000059104157 564050404 /nfs/dbraw/zinc/05/04/04/564050404.db2.gz YCKKVLHPOPYSBT-XDHOZWIPSA-N 0 0 349.272 5.201 40 30 EKEBRN COc1ccc(-n2cccc2/C=N/c2cccc3ccccc32)cc1 ZINC000059104309 564050441 /nfs/dbraw/zinc/05/04/41/564050441.db2.gz WBUZDIUBVDVXKH-XQNSMLJCSA-N 0 0 326.399 5.390 40 30 EKEBRN CN(C)c1oc(/C=N/c2cccc3ccccc32)cc1Br ZINC000059104327 257851027 /nfs/dbraw/zinc/85/10/27/257851027.db2.gz SFCDYROQJFSROY-YBFXNURJSA-N 0 0 343.224 5.012 40 30 EKEBRN Cc1cc(/C=N/c2ccc(Cl)cc2Cl)ccc1N1CCCC1 ZINC000059104623 564050448 /nfs/dbraw/zinc/05/04/48/564050448.db2.gz CUQQVUJCYJFSIL-CIAFOILYSA-N 0 0 333.262 5.653 40 30 EKEBRN CC[C@@H](C)c1ccc(/N=C/c2cccn2-c2ccc(N(C)C)cc2)cc1 ZINC000059104692 564050457 /nfs/dbraw/zinc/05/04/57/564050457.db2.gz LUJCPIUSXLEXLC-ZDSQJECRSA-N 0 0 345.490 5.807 40 30 EKEBRN CC[C@H](C)c1ccc(/N=C/c2cccn2-c2ccc(N(C)C)cc2)cc1 ZINC000059104693 564050460 /nfs/dbraw/zinc/05/04/60/564050460.db2.gz LUJCPIUSXLEXLC-KHCKMINHSA-N 0 0 345.490 5.807 40 30 EKEBRN Cc1ccc(C)n1-c1ccc(/N=C/c2ccc(N3CCCC3)cc2)cc1 ZINC000059104851 564050429 /nfs/dbraw/zinc/05/04/29/564050429.db2.gz DFFWZPOXHGVAQN-JJIBRWJFSA-N 0 0 343.474 5.445 40 30 EKEBRN Cc1cc(/C=N/c2cccc(Cl)c2Cl)ccc1N1CCCC1 ZINC000059104887 564050424 /nfs/dbraw/zinc/05/04/24/564050424.db2.gz OPXFVDFZZFOOKM-CIAFOILYSA-N 0 0 333.262 5.653 40 30 EKEBRN Cc1ccc(Cl)cc1/N=C/c1cccn1-c1ccc(N(C)C)cc1 ZINC000059104931 564050439 /nfs/dbraw/zinc/05/04/39/564050439.db2.gz JJENMGIMMYDKGE-HYARGMPZSA-N 0 0 337.854 5.256 40 30 EKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/Cc2ccccc2)c1C ZINC000059105004 257851055 /nfs/dbraw/zinc/85/10/55/257851055.db2.gz JKQNWLNESAIQTM-LFVJCYFKSA-N 0 0 330.475 5.584 40 30 EKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccccc2OC)c1C ZINC000059105054 564050423 /nfs/dbraw/zinc/05/04/23/564050423.db2.gz HNAXWVLNZDWKJY-BUVRLJJBSA-N 0 0 346.474 5.724 40 30 EKEBRN FC(F)(F)c1cccc(-c2ccc(C=NNc3ccccc3)o2)c1 ZINC000059109162 564050576 /nfs/dbraw/zinc/05/05/76/564050576.db2.gz VGUPIEORRHAWBP-WSDLNYQXSA-N 0 0 330.309 5.411 40 30 EKEBRN Cc1ccc(Sc2ccc(C=C3C(=O)c4ccccc4C3=O)o2)cc1 ZINC000059137814 564050492 /nfs/dbraw/zinc/05/04/92/564050492.db2.gz UIAYAHOHMVDCCS-UHFFFAOYSA-N 0 0 346.407 5.202 40 30 EKEBRN C(=N/N(c1ccccc1)c1ccccc1)\c1ccc(N2CCCC2)o1 ZINC000059138170 564050471 /nfs/dbraw/zinc/05/04/71/564050471.db2.gz JXPWUJLSTSRDES-OQKWZONESA-N 0 0 331.419 5.052 40 30 EKEBRN C(=N/c1ccc(Nc2ccccc2)cc1)\c1ccc(N2CCCC2)o1 ZINC000059138674 257850972 /nfs/dbraw/zinc/85/09/72/257850972.db2.gz CWCUZUUEDLXTPE-CJLVFECKSA-N 0 0 331.419 5.374 40 30 EKEBRN Clc1ccc(-c2csc(N=NCc3ccccc3)n2)c(Cl)c1 ZINC000059193772 564050494 /nfs/dbraw/zinc/05/04/94/564050494.db2.gz YDRKBNUQUGRYBM-DJKKODMXSA-N 0 0 348.258 5.563 40 30 EKEBRN Cc1sc(N=NCc2ccc(C(C)C)cc2)nc1-c1ccccc1 ZINC000059193892 564050470 /nfs/dbraw/zinc/05/04/70/564050470.db2.gz JAEYJLYBEWNJNQ-FYJGNVAPSA-N 0 0 335.476 5.110 40 30 EKEBRN FC(F)(F)c1ccccc1-c1ccc(C=NNc2ccccc2)o1 ZINC000059219951 564050476 /nfs/dbraw/zinc/05/04/76/564050476.db2.gz SJDKIIUYWPMJOA-WSDLNYQXSA-N 0 0 330.309 5.411 40 30 EKEBRN Cc1c(/C=N/c2ccc(C)cc2Br)c2ccccc2n1C ZINC000059247881 564050536 /nfs/dbraw/zinc/05/05/36/564050536.db2.gz WRBOZXZPUSDZOZ-RGVLZGJSSA-N 0 0 341.252 5.308 40 30 EKEBRN CC[C@@H](C)c1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1 ZINC000059247962 564050529 /nfs/dbraw/zinc/05/05/29/564050529.db2.gz VDHZEYYMAXIKJW-LGVXEURYSA-N 0 0 336.866 6.395 40 30 EKEBRN CC[C@H](C)c1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1 ZINC000059247963 564050548 /nfs/dbraw/zinc/05/05/48/564050548.db2.gz VDHZEYYMAXIKJW-PFRBSUFTSA-N 0 0 336.866 6.395 40 30 EKEBRN Cc1ccc(/N=C/c2cc(Br)c(N3CCCC3)o2)cc1C ZINC000059248099 564050541 /nfs/dbraw/zinc/05/05/41/564050541.db2.gz NJQYUXKXHQXGDH-YBFXNURJSA-N 0 0 347.256 5.010 40 30 EKEBRN Cc1ccc(Cl)cc1/N=C/c1cccn1-c1ccc(Cl)cc1 ZINC000059248228 257850644 /nfs/dbraw/zinc/85/06/44/257850644.db2.gz LRKSSSYFGNJMPC-CIAFOILYSA-N 0 0 329.230 5.843 40 30 EKEBRN C=CCc1cc(/C=N/c2cc(Cl)ccc2C)cc(OCC)c1O ZINC000059248870 564050543 /nfs/dbraw/zinc/05/05/43/564050543.db2.gz YXIWSLQWBWZXBT-CIAFOILYSA-N 0 0 329.827 5.232 40 30 EKEBRN C=CCc1cc(/C=N/c2cccc3ccccc32)cc(OCC)c1O ZINC000059249001 564050579 /nfs/dbraw/zinc/05/05/79/564050579.db2.gz AIWVIHZLLVFQQI-HZHRSRAPSA-N 0 0 331.415 5.423 40 30 EKEBRN COc1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1Cl ZINC000059249261 564050575 /nfs/dbraw/zinc/05/05/75/564050575.db2.gz FHAVHJCGVIJYCF-CIAFOILYSA-N 0 0 345.229 5.543 40 30 EKEBRN Cc1ccc(C)n1-c1ccc(/N=C/c2c(C)n(C)c3ccccc23)cc1 ZINC000059249549 564050588 /nfs/dbraw/zinc/05/05/88/564050588.db2.gz LOIFNCZNGMAXTA-BUVRLJJBSA-N 0 0 341.458 5.645 40 30 EKEBRN C=CCc1cc(/C=N/c2ccc([C@H](C)CC)cc2)cc(OCC)c1O ZINC000059250465 257850521 /nfs/dbraw/zinc/85/05/21/257850521.db2.gz YRPKWQLDQGJOKR-LGVXEURYSA-N 0 0 337.463 5.784 40 30 EKEBRN C=CCc1cc(/C=N/c2ccc([C@@H](C)CC)cc2)cc(OCC)c1O ZINC000059250466 564050584 /nfs/dbraw/zinc/05/05/84/564050584.db2.gz YRPKWQLDQGJOKR-PFRBSUFTSA-N 0 0 337.463 5.784 40 30 EKEBRN Fc1cccc(/N=C/c2cccn2-c2ccc(Br)cc2)c1 ZINC000059250534 257850658 /nfs/dbraw/zinc/85/06/58/257850658.db2.gz GVCFFZNOTRQPJA-UDWIEESQSA-N 0 0 343.199 5.130 40 30 EKEBRN Cc1cc([N+](=O)[O-])ccc1/N=C/c1cccn1-c1ccc(Cl)cc1 ZINC000059302471 564050667 /nfs/dbraw/zinc/05/06/67/564050667.db2.gz HFHHVTORWIUPAX-UDWIEESQSA-N 0 0 339.782 5.098 40 30 EKEBRN CCCCc1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1 ZINC000059302722 564050658 /nfs/dbraw/zinc/05/06/58/564050658.db2.gz XTYYFQWFMHCOIR-XQNSMLJCSA-N 0 0 336.866 6.224 40 30 EKEBRN C(=N/N(c1ccccc1)c1ccccc1)\c1cccn1-c1ccccc1 ZINC000059302792 257850594 /nfs/dbraw/zinc/85/05/94/257850594.db2.gz BTZLKWUZHBXPLY-LYBHJNIJSA-N 0 0 337.426 5.650 40 30 EKEBRN Fc1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1Cl ZINC000059303080 564050670 /nfs/dbraw/zinc/05/06/70/564050670.db2.gz PKODWJBFLFRGSR-SRZZPIQSSA-N 0 0 333.193 5.674 40 30 EKEBRN C=CCc1cc(/C=N/c2ccc(F)c(Cl)c2)cc(OCC)c1O ZINC000059303213 257850588 /nfs/dbraw/zinc/85/05/88/257850588.db2.gz DZRLUHHTGSWEPS-SRZZPIQSSA-N 0 0 333.790 5.063 40 30 EKEBRN CCCCCCCCCCCCCCCCCC(=O)OCCC ZINC000059305342 563947987 /nfs/dbraw/zinc/94/79/87/563947987.db2.gz BTAXGNQLYFDKEF-UHFFFAOYSA-N 0 0 326.565 7.201 40 30 in-vitro,metabolite EKEBRN CCCCCCCCOc1ccc(C(=O)Oc2ccc(N)cc2)cc1 ZINC000059313651 520043300 /nfs/dbraw/zinc/04/33/00/520043300.db2.gz PFFNUXBXLPYNDZ-UHFFFAOYSA-N 0 0 341.451 5.227 40 30 EKEBRN CCCCCCCCCCCCOS(=O)(=O)c1ccccc1 ZINC000059331153 520011315 /nfs/dbraw/zinc/01/13/15/520011315.db2.gz YRIUSKIDOIARQF-UHFFFAOYSA-N 0 0 326.502 5.313 40 30 EKEBRN CCCCCCCCCCCCCCCCCc1nc(N)nc(N)n1 ZINC000059378659 563948761 /nfs/dbraw/zinc/94/87/61/563948761.db2.gz YZVJFFKAKLWXOE-UHFFFAOYSA-N 0 0 349.567 5.450 40 30 EKEBRN CCCCCOc1ccccc1C=NN=c1[nH]c2ccccc2s1 ZINC000059386983 564050683 /nfs/dbraw/zinc/05/06/83/564050683.db2.gz RTKXZEMMMGIBRL-XSFVSMFZSA-N 0 0 339.464 5.311 40 30 EKEBRN Clc1ccc(COc2ccc(C=NNc3ccccc3)cc2)cc1 ZINC000059399028 564050686 /nfs/dbraw/zinc/05/06/86/564050686.db2.gz MMFIQXADJABVSB-HYARGMPZSA-N 0 0 336.822 5.365 40 30 EKEBRN CC(=O)c1cccc(N=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1 ZINC000059426892 564050730 /nfs/dbraw/zinc/05/07/30/564050730.db2.gz AKGPVYUHFOIOAG-ZVHZXABRSA-N 0 0 344.458 5.664 40 30 EKEBRN CC(=O)c1ccc(N=Cc2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 ZINC000059426935 564050715 /nfs/dbraw/zinc/05/07/15/564050715.db2.gz QIBSRNXZEKQSLE-ZVHZXABRSA-N 0 0 344.458 5.664 40 30 EKEBRN Cc1ccc(/C=N/C2=N[C@H](c3ccco3)[C@H](c3ccco3)S2)cc1 ZINC000059461369 257849965 /nfs/dbraw/zinc/84/99/65/257849965.db2.gz BQDOLZDFJFHQQL-SLCIEKFFSA-N 0 0 336.416 5.185 40 30 EKEBRN Cc1ccc(/C=N/C2=N[C@@H](c3ccco3)[C@H](c3ccco3)S2)cc1 ZINC000059461370 564050606 /nfs/dbraw/zinc/05/06/06/564050606.db2.gz BQDOLZDFJFHQQL-XENGFHBVSA-N 0 0 336.416 5.185 40 30 EKEBRN Cc1ccc(/C=N/C2=N[C@H](c3ccco3)[C@@H](c3ccco3)S2)cc1 ZINC000059461371 564050627 /nfs/dbraw/zinc/05/06/27/564050627.db2.gz BQDOLZDFJFHQQL-LNSJNNGNSA-N 0 0 336.416 5.185 40 30 EKEBRN Cc1ccc(/C=N/C2=N[C@@H](c3ccco3)[C@@H](c3ccco3)S2)cc1 ZINC000059461372 564050628 /nfs/dbraw/zinc/05/06/28/564050628.db2.gz BQDOLZDFJFHQQL-YZJQUUSSSA-N 0 0 336.416 5.185 40 30 EKEBRN Cc1ccccc1/C=N/C1=N[C@H](c2ccco2)[C@H](c2ccco2)S1 ZINC000059461373 564050653 /nfs/dbraw/zinc/05/06/53/564050653.db2.gz YEDAUUBYHRHFDE-SLCIEKFFSA-N 0 0 336.416 5.185 40 30 EKEBRN Cc1ccccc1/C=N/C1=N[C@@H](c2ccco2)[C@H](c2ccco2)S1 ZINC000059461374 564050660 /nfs/dbraw/zinc/05/06/60/564050660.db2.gz YEDAUUBYHRHFDE-XENGFHBVSA-N 0 0 336.416 5.185 40 30 EKEBRN Cc1ccccc1/C=N/C1=N[C@H](c2ccco2)[C@@H](c2ccco2)S1 ZINC000059461375 564050666 /nfs/dbraw/zinc/05/06/66/564050666.db2.gz YEDAUUBYHRHFDE-LNSJNNGNSA-N 0 0 336.416 5.185 40 30 EKEBRN Cc1ccccc1/C=N/C1=N[C@@H](c2ccco2)[C@@H](c2ccco2)S1 ZINC000059461376 564050649 /nfs/dbraw/zinc/05/06/49/564050649.db2.gz YEDAUUBYHRHFDE-YZJQUUSSSA-N 0 0 336.416 5.185 40 30 EKEBRN COc1ccc(/C=N/c2ccc3c(c2)oc2ccccc23)cc1[N+](=O)[O-] ZINC000059474499 564050765 /nfs/dbraw/zinc/05/07/65/564050765.db2.gz CNDDVQLPULNSNZ-CIAFOILYSA-N 0 0 346.342 5.253 40 30 EKEBRN c1ccc(-c2nc(N=NC3CCCC3)sc2-c2ccccc2)cc1 ZINC000059475116 257850172 /nfs/dbraw/zinc/85/01/72/257850172.db2.gz XSMCOUXKBBUKRF-UHFFFAOYSA-N 0 0 333.460 5.819 40 30 EKEBRN CC(N=Nc1nc(-c2ccccc2)cs1)c1ccc(C(C)(C)C)cc1 ZINC000059483039 564050798 /nfs/dbraw/zinc/05/07/98/564050798.db2.gz VZSOQVWSDXHLBF-HZHRSRAPSA-N 0 0 349.503 5.944 40 30 EKEBRN CCC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1 ZINC000059483047 564050802 /nfs/dbraw/zinc/05/08/02/564050802.db2.gz LIFQVCGPFPCGSQ-LTGZKZEYSA-N 0 0 341.867 5.690 40 30 EKEBRN Cc1ccc(/C=N/c2cn(-c3ccccc3)nc2-c2ccccc2)o1 ZINC000059483124 564050814 /nfs/dbraw/zinc/05/08/14/564050814.db2.gz HVAPKSNJYCYAOW-HYARGMPZSA-N 0 0 327.387 5.191 40 30 EKEBRN Fc1ccc(/C=N/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000059483149 564050835 /nfs/dbraw/zinc/05/08/35/564050835.db2.gz PVQNTLSWSZYPQS-BUVRLJJBSA-N 0 0 341.389 5.429 40 30 EKEBRN CCC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(C)cc1 ZINC000059489025 564050841 /nfs/dbraw/zinc/05/08/41/564050841.db2.gz DFDIBSMNUZTOCK-FOWTUZBSSA-N 0 0 344.252 5.346 40 30 EKEBRN CCC(=CC(=O)c1ccc(Br)cc1)Nc1ccccc1C ZINC000059489026 564050837 /nfs/dbraw/zinc/05/08/37/564050837.db2.gz CNBBOLBQYMAADW-FOWTUZBSSA-N 0 0 344.252 5.346 40 30 EKEBRN CCC(=CC(=O)c1ccc(OC)cc1)Nc1ccc2ccccc2c1 ZINC000059489058 564050818 /nfs/dbraw/zinc/05/08/18/564050818.db2.gz LVSQJWHGJZTCRY-XDJHFCHBSA-N 0 0 331.415 5.437 40 30 EKEBRN CCC(=CC(=O)c1ccc(OC)cc1)Nc1cc(Cl)ccc1C ZINC000059489065 564050869 /nfs/dbraw/zinc/05/08/69/564050869.db2.gz RMCAVISSQXTCOE-FOWTUZBSSA-N 0 0 329.827 5.246 40 30 EKEBRN N#Cc1c(/N=C/c2ccc(O)cc2)oc(-c2ccco2)c1-c1ccco1 ZINC000059490122 564050860 /nfs/dbraw/zinc/05/08/60/564050860.db2.gz QHVMBOYTLMHMHK-WSDLNYQXSA-N 0 0 344.326 5.127 40 30 EKEBRN Cc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 ZINC000059500240 257849720 /nfs/dbraw/zinc/84/97/20/257849720.db2.gz RXXCUZBFOLALMZ-JJIBRWJFSA-N 0 0 337.426 5.598 40 30 EKEBRN Cc1cc2c(cc1C)CN(c1ccc(/C=N/c3ccccc3)cc1)C2 ZINC000059501483 257849837 /nfs/dbraw/zinc/84/98/37/257849837.db2.gz JNHDEAZBECPNEE-ZVHZXABRSA-N 0 0 326.443 5.574 40 30 EKEBRN Cc1cccc(/N=C/c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)c1 ZINC000059501488 257849415 /nfs/dbraw/zinc/84/94/15/257849415.db2.gz FJHNSQLPSILRPU-AFUMVMLFSA-N 0 0 340.470 5.883 40 30 EKEBRN Cc1ccc(/N=C/c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)cc1 ZINC000059501489 257849620 /nfs/dbraw/zinc/84/96/20/257849620.db2.gz PAQRDSGZOVOCOL-AFUMVMLFSA-N 0 0 340.470 5.883 40 30 EKEBRN Cc1ccccc1/N=C/c1ccc(N2Cc3cc(C)c(C)cc3C2)cc1 ZINC000059501491 257849841 /nfs/dbraw/zinc/84/98/41/257849841.db2.gz DBNNCHHCCRWIMV-AFUMVMLFSA-N 0 0 340.470 5.883 40 30 EKEBRN CCCCCOc1ccc(C=NNc2nc3ccccc3s2)cc1 ZINC000059503441 257849663 /nfs/dbraw/zinc/84/96/63/257849663.db2.gz YHMDCYWNCDYOKM-XSFVSMFZSA-N 0 0 339.464 5.311 40 30 EKEBRN O=C1c2ccccc2S/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000059503520 564050879 /nfs/dbraw/zinc/05/08/79/564050879.db2.gz HWCMYXPSTZPZEC-STZFKDTASA-N 0 0 344.435 5.595 40 30 EKEBRN O=C(/C=C/c1ccccc1)c1cccc(N2Cc3ccccc3C2)c1 ZINC000059503632 564050853 /nfs/dbraw/zinc/05/08/53/564050853.db2.gz UETHSRPBYUQJRZ-BUHFOSPRSA-N 0 0 325.411 5.103 40 30 EKEBRN O=C(/C=C/c1ccc(F)cc1)c1cccc(N2Cc3ccccc3C2)c1 ZINC000059503634 564050857 /nfs/dbraw/zinc/05/08/57/564050857.db2.gz UITWZXHWINBAKA-JLHYYAGUSA-N 0 0 343.401 5.242 40 30 EKEBRN O=C(/C=C/c1ccccc1F)c1cccc(N2Cc3ccccc3C2)c1 ZINC000059503635 564050850 /nfs/dbraw/zinc/05/08/50/564050850.db2.gz JYBATEIKFQGYEI-OUKQBFOZSA-N 0 0 343.401 5.242 40 30 EKEBRN Cc1ccc(/C=C/C(=O)c2cccc(N3Cc4ccccc4C3)c2)cc1 ZINC000059503636 257849497 /nfs/dbraw/zinc/84/94/97/257849497.db2.gz RQKZZGWAMWFBIL-BUHFOSPRSA-N 0 0 339.438 5.411 40 30 EKEBRN Cc1c(Cl)cccc1/N=C/c1ccccc1OCc1ccccc1 ZINC000059518512 564050891 /nfs/dbraw/zinc/05/08/91/564050891.db2.gz JPKVKIVBRAXDTQ-OEAKJJBVSA-N 0 0 335.834 5.978 40 30 EKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccccc2)cc1 ZINC000059518840 564050881 /nfs/dbraw/zinc/05/08/81/564050881.db2.gz XSCSDLTYQTVWBM-OEAKJJBVSA-N 0 0 335.834 5.978 40 30 EKEBRN C/C(=N/OC(=O)c1ccccc1Cl)c1ccc2c3c(cccc31)CC2 ZINC000059520213 564050889 /nfs/dbraw/zinc/05/08/89/564050889.db2.gz QAYBSVJRDGUUDR-QRVIBDJDSA-N 0 0 349.817 5.173 40 30 EKEBRN CCCCCCCCCCCCCCCC(=O)Oc1ccc(O)cc1 ZINC000059603950 519990953 /nfs/dbraw/zinc/99/09/53/519990953.db2.gz ZMWJEKFRMJKWRE-UHFFFAOYSA-N 0 0 348.527 6.779 40 30 EKEBRN CCCCCCCCCC(CO)(CO)CCCCCCCCC ZINC000059608579 214622678 /nfs/dbraw/zinc/62/26/78/214622678.db2.gz QDZMCSOMPXENEE-UHFFFAOYSA-N 0 0 328.581 6.239 40 30 EKEBRN CCCCCCCOc1ccc(C=O)cc1OCCCCCCC ZINC000059608624 214622617 /nfs/dbraw/zinc/62/26/17/214622617.db2.gz KNALCKDOFTXKTB-UHFFFAOYSA-N 0 0 334.500 6.198 40 30 EKEBRN CCCCCCCOc1ccc(C=O)c(OCCCCCCC)c1 ZINC000059608627 563949165 /nfs/dbraw/zinc/94/91/65/563949165.db2.gz HEBHKALAWQWMDH-UHFFFAOYSA-N 0 0 334.500 6.198 40 30 EKEBRN CCCCCCCc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000059662046 563949172 /nfs/dbraw/zinc/94/91/72/563949172.db2.gz SCVDSUCRMIVAPL-UHFFFAOYSA-N 0 0 329.871 6.105 40 30 EKEBRN CCCCCCCc1ccc(NC(=O)c2ccc(OC)cc2)cc1 ZINC000059662052 563949120 /nfs/dbraw/zinc/94/91/20/563949120.db2.gz RYTUTYOTJBHTTP-UHFFFAOYSA-N 0 0 325.452 5.460 40 30 EKEBRN CCCCCCCc1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000059662067 214623030 /nfs/dbraw/zinc/62/30/30/214623030.db2.gz AABBQYHAAHYZOP-UHFFFAOYSA-N 0 0 331.481 5.000 40 30 EKEBRN CCCCCCCCNC(=S)Nc1ccc(CCCCCC)cc1 ZINC000059662070 563949147 /nfs/dbraw/zinc/94/91/47/563949147.db2.gz NYIHDDUTUKKLIO-UHFFFAOYSA-N 0 0 348.600 6.456 40 30 EKEBRN CCCCCCCCCCNC(=S)N(CC)Cc1ccccc1 ZINC000059662566 563949169 /nfs/dbraw/zinc/94/91/69/563949169.db2.gz HVHDTOAHRCRYFG-UHFFFAOYSA-N 0 0 334.573 5.524 40 30 EKEBRN CCCCCCCCCCNC(=S)N1c2ccccc2C[C@@H]1C ZINC000059662616 520020507 /nfs/dbraw/zinc/02/05/07/520020507.db2.gz ZZSYPNSWUVWGCW-KRWDZBQOSA-N 0 0 332.557 5.453 40 30 EKEBRN CCCCCCCCCCNC(=S)N1c2ccccc2C[C@H]1C ZINC000059662621 563949167 /nfs/dbraw/zinc/94/91/67/563949167.db2.gz ZZSYPNSWUVWGCW-QGZVFWFLSA-N 0 0 332.557 5.453 40 30 EKEBRN CCCCCCCCOc1ccc(C(=O)Oc2cccc(N)c2)cc1 ZINC000059663616 563949174 /nfs/dbraw/zinc/94/91/74/563949174.db2.gz PZIRQEDWKVZVMG-UHFFFAOYSA-N 0 0 341.451 5.227 40 30 EKEBRN CCCCCCCCCCCCCCOC(=O)c1ccc(C=O)cc1 ZINC000059663671 563949125 /nfs/dbraw/zinc/94/91/25/563949125.db2.gz RGBACAXDWUGVFQ-UHFFFAOYSA-N 0 0 346.511 6.357 40 30 EKEBRN CCCCCCCCOc1ccc(OCc2ccc(C#N)cc2)cc1 ZINC000059663702 563949149 /nfs/dbraw/zinc/94/91/49/563949149.db2.gz JEPVQTLXZXUZIK-UHFFFAOYSA-N 0 0 337.463 5.877 40 30 EKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)OCCO ZINC000059676555 214622693 /nfs/dbraw/zinc/62/26/93/214622693.db2.gz MUHFRORXWCGZGE-MDZDMXLPSA-N 0 0 326.521 5.559 40 30 EKEBRN C=CCc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(OCC)c1O ZINC000059678291 257849744 /nfs/dbraw/zinc/84/97/44/257849744.db2.gz YREITUARECHCFZ-CIAFOILYSA-N 0 0 329.827 5.232 40 30 EKEBRN Cc1c(Cl)cccc1/N=C/c1cccn1-c1ccc(Cl)cc1 ZINC000059678313 564050951 /nfs/dbraw/zinc/05/09/51/564050951.db2.gz KGSKAGJOGVYOSX-CIAFOILYSA-N 0 0 329.230 5.843 40 30 EKEBRN C=CCc1cc(/C=N/c2ccc(CCCC)cc2)cc(OCC)c1O ZINC000059678458 564050979 /nfs/dbraw/zinc/05/09/79/564050979.db2.gz WREJHUBFWKHIBG-XQNSMLJCSA-N 0 0 337.463 5.613 40 30 EKEBRN Clc1ccc(-n2cccc2/C=N/c2ccc3ncccc3c2)cc1 ZINC000059678670 564050977 /nfs/dbraw/zinc/05/09/77/564050977.db2.gz CFQMMTAOGHOLQP-OEAKJJBVSA-N 0 0 331.806 5.430 40 30 EKEBRN C=CCc1cc(/C=N/c2cccc(Cl)c2C)cc(OCC)c1O ZINC000059679243 257849673 /nfs/dbraw/zinc/84/96/73/257849673.db2.gz OMQKCJPYHHFZHI-CIAFOILYSA-N 0 0 329.827 5.232 40 30 EKEBRN CCCCCCCCCCCCCCCCNC(=O)NCCC ZINC000059895075 202778904 /nfs/dbraw/zinc/77/89/04/202778904.db2.gz IJJXDYXCBPUKQZ-UHFFFAOYSA-N 0 0 326.569 6.177 40 30 EKEBRN CCCCCCCCCCCCCCCCCC[NH2+]CC(=O)[O-] ZINC000059957871 214626411 /nfs/dbraw/zinc/62/64/11/214626411.db2.gz SHRYOWAOIIMOSO-UHFFFAOYSA-N 0 0 327.553 5.922 40 30 EKEBRN CCCCCCCCCCCCCCCCn1cnc2ccccc21 ZINC000060117133 564092149 /nfs/dbraw/zinc/09/21/49/564092149.db2.gz RWMRETJLJRUDMC-UHFFFAOYSA-N 0 0 342.571 7.518 40 30 EKEBRN CCCCCCCCCCCCCCCCCc1cccc(O)c1O ZINC000064633652 519998141 /nfs/dbraw/zinc/99/81/41/519998141.db2.gz DXRKLUVKXMAMOV-UHFFFAOYSA-N 0 0 348.571 7.512 40 30 biogenic,in-vitro EKEBRN CCCCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)c(O)c1 ZINC000064857817 563957217 /nfs/dbraw/zinc/95/72/17/563957217.db2.gz HNMJDLVMIUDJNH-PKOBYXMFSA-N 0 0 332.528 6.049 40 30 in-vitro EKEBRN CCCCCCCC/C=C\C=C\C=C\[C@H]1O[C@H]1CCCC(=O)OC ZINC000064858036 563957183 /nfs/dbraw/zinc/95/71/83/563957183.db2.gz YOAQIJHBMIIBJM-UOSRAZFVSA-N 0 0 334.500 5.516 40 30 in-vitro EKEBRN CCCCCCCC/C=C\C=C\C=C\[C@H]1O[C@@H]1CCCC(=O)OC ZINC000064858038 563957212 /nfs/dbraw/zinc/95/72/12/563957212.db2.gz YOAQIJHBMIIBJM-ZTBMKXPESA-N 0 0 334.500 5.516 40 30 in-vitro EKEBRN CCCCCCCC/C=C\C=C\C=C\[C@@H]1O[C@@H]1CCCC(=O)OC ZINC000064858042 563957206 /nfs/dbraw/zinc/95/72/06/563957206.db2.gz YOAQIJHBMIIBJM-HJBUUMIPSA-N 0 0 334.500 5.516 40 30 in-vitro EKEBRN CCCCC/C=C\C/C=C\C=C\C=C\[C@@H]1O[C@@H]1CCCC(=O)OC ZINC000064858047 563957185 /nfs/dbraw/zinc/95/71/85/563957185.db2.gz WTKAVFHPLJFCMZ-KMRZADIASA-N 0 0 332.484 5.292 40 30 in-vitro EKEBRN CCCCCCCC(C)(C)c1ccc([C@H]2CCC[C@H](O)C2)c(O)c1 ZINC000064859578 564134119 /nfs/dbraw/zinc/13/41/19/564134119.db2.gz HNMJDLVMIUDJNH-HKUYNNGSSA-N 0 0 332.528 6.049 40 30 in-vitro EKEBRN Clc1ccc(Oc2cc(C#Cc3ccccc3)cc3nonc32)cc1 ZINC000066091772 215009207 /nfs/dbraw/zinc/00/92/07/215009207.db2.gz CROICWBSFUPYDX-UHFFFAOYSA-N 0 0 346.773 5.068 40 30 EKEBRN Fc1c(F)c2ccc3c(F)c(F)c(ccc1c(F)c2F)c(F)c3F ZINC000068568368 215318794 /nfs/dbraw/zinc/31/87/94/215318794.db2.gz FUZVVEKKVUPWGT-UHFFFAOYSA-N 0 0 348.192 5.668 40 30 EKEBRN CC1(C)c2ccc3c4c2-c2c1cccc2C#Cc1cccc(c1-4)C3(C)C ZINC000068568875 563932579 /nfs/dbraw/zinc/93/25/79/563932579.db2.gz CRQYINKIHOMQST-UHFFFAOYSA-N 0 0 332.446 6.012 40 30 EKEBRN C/C(=N\Cc1cc(Cl)ccc1Cl)c1cc2ccccc2oc1=O ZINC000068601433 215321212 /nfs/dbraw/zinc/32/12/12/215321212.db2.gz FWWAHRFBCHBHBO-SRZZPIQSSA-N 0 0 346.213 5.109 40 30 EKEBRN C=C(C)COc1cc(C2Nc3cccc4cccc(c43)N2)ccc1OC ZINC000070453942 564136193 /nfs/dbraw/zinc/13/61/93/564136193.db2.gz AOKFGWQYRVFIGT-UHFFFAOYSA-N 0 0 346.430 5.340 40 30 EKEBRN N#Cc1ccc(/C=C\c2ccc(/C=C\c3ccccc3C#N)cc2)cc1 ZINC000071603423 203099899 /nfs/dbraw/zinc/09/98/99/203099899.db2.gz OQVQNTRMZCGXIB-NCCHCWSYSA-N 0 0 332.406 5.771 40 30 EKEBRN N#Cc1ccc(/C=C/c2ccc(/C=C\c3ccccc3C#N)cc2)cc1 ZINC000071603427 563950463 /nfs/dbraw/zinc/95/04/63/563950463.db2.gz OQVQNTRMZCGXIB-ZMHWZQNNSA-N 0 0 332.406 5.771 40 30 EKEBRN C=CCCCn1cc(C(=O)c2cccc3ccccc32)c2ccccc21 ZINC000071746273 563982931 /nfs/dbraw/zinc/98/29/31/563982931.db2.gz IVVCMEGHVSDGFJ-UHFFFAOYSA-N 0 0 339.438 5.992 40 30 in-vitro EKEBRN CCc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1 ZINC000071976888 563965959 /nfs/dbraw/zinc/96/59/59/563965959.db2.gz OGQZFFYFOYFNFD-SFQUDFHCSA-N 0 0 342.438 5.724 40 30 EKEBRN O=C(/C=C/c1c(F)cccc1Cl)c1ccc(Cl)cc1Cl ZINC000071976933 563965947 /nfs/dbraw/zinc/96/59/47/563965947.db2.gz SADSPTLBEBUPPK-VOTSOKGWSA-N 0 0 329.585 5.682 40 30 EKEBRN O=C(/C=C/c1ccc(Cl)cc1Cl)c1cc(Cl)ccc1Cl ZINC000071976968 203156135 /nfs/dbraw/zinc/15/61/35/203156135.db2.gz OKGXFUZEIDUXGO-QHHAFSJGSA-N 0 0 346.040 6.196 40 30 EKEBRN O=C(/C=C/c1c(F)cccc1Cl)c1cc(Cl)ccc1Cl ZINC000071976978 563965933 /nfs/dbraw/zinc/96/59/33/563965933.db2.gz JYTZZDGFNGZBRM-FNORWQNLSA-N 0 0 329.585 5.682 40 30 EKEBRN CC(C)(C)c1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000071977068 563965957 /nfs/dbraw/zinc/96/59/57/563965957.db2.gz OIAPGYKGQIYUFV-IZZDOVSWSA-N 0 0 333.258 6.187 40 30 EKEBRN O=C(/C=C/c1c(F)cccc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000071977095 563965938 /nfs/dbraw/zinc/96/59/38/563965938.db2.gz SSBPGXFOCGKRLN-FNORWQNLSA-N 0 0 329.585 5.682 40 30 EKEBRN O=C(/C=C/c1c(F)cccc1Cl)c1cccc(Br)c1 ZINC000071977124 203156483 /nfs/dbraw/zinc/15/64/83/203156483.db2.gz RQFZXXBGKUWJGK-BQYQJAHWSA-N 0 0 339.591 5.138 40 30 EKEBRN Cc1ccccc1C(=O)/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000071977133 563965944 /nfs/dbraw/zinc/96/59/44/563965944.db2.gz OKBBKWLASZIXCM-DTQAZKPQSA-N 0 0 328.411 5.470 40 30 EKEBRN COc1ccc(OC)c(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000071977162 563965954 /nfs/dbraw/zinc/96/59/54/563965954.db2.gz AWZMHDNLWVKNKH-WYMLVPIESA-N 0 0 344.410 5.267 40 30 EKEBRN O=C(/C=C/c1c(F)cccc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000071977167 203155912 /nfs/dbraw/zinc/15/59/12/203155912.db2.gz IGDDEQWGDCYQML-BUHFOSPRSA-N 0 0 336.793 6.042 40 30 EKEBRN CCCCCCCCCCCCCC(=O)NCC(OCC)OCC ZINC000073257538 216370304 /nfs/dbraw/zinc/37/03/04/216370304.db2.gz ODPWRMSNGMQQAL-UHFFFAOYSA-N 0 0 343.552 5.203 40 30 EKEBRN CCCCCCCCCCCCCCCCCc1nc(C#N)c(N)o1 ZINC000073259029 519998687 /nfs/dbraw/zinc/99/86/87/519998687.db2.gz HZBKCIYIRLMFPT-UHFFFAOYSA-N 0 0 347.547 6.542 40 30 EKEBRN CCCCCCCCCCC/C(=N/O)c1ccc(O)c2ncccc12 ZINC000073280017 563966539 /nfs/dbraw/zinc/96/65/39/563966539.db2.gz HGVLSCJIZJAIFB-NMWGTECJSA-N 0 0 342.483 6.040 40 30 EKEBRN CCCCCCCCCCCCCC[C@@H](C(=O)[O-])[n+]1ccccc1 ZINC000073372725 563966518 /nfs/dbraw/zinc/96/65/18/563966518.db2.gz JCMOEFKIKXJILZ-FQEVSTJZSA-O 0 0 334.524 5.691 40 30 EKEBRN CCCCCCCCCCCCCC[C@H](C(=O)[O-])[n+]1ccccc1 ZINC000073372727 563966544 /nfs/dbraw/zinc/96/65/44/563966544.db2.gz JCMOEFKIKXJILZ-HXUWFJFHSA-O 0 0 334.524 5.691 40 30 EKEBRN C=CCOC(=O)c1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 ZINC000073633995 202369914 /nfs/dbraw/zinc/36/99/14/202369914.db2.gz TUKGLBHASQVAMN-UHFFFAOYSA-N 0 0 348.185 5.144 40 30 EKEBRN C=CCOC(=O)c1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 ZINC000073634026 202369971 /nfs/dbraw/zinc/36/99/71/202369971.db2.gz JCAXXLKNMLYQNK-UHFFFAOYSA-N 0 0 348.185 5.144 40 30 EKEBRN C=CCc1ccc(O[C@H](C)c2nc3cc(C)c(C)cc3[nH]2)c(OC)c1 ZINC000076555532 564064293 /nfs/dbraw/zinc/06/42/93/564064293.db2.gz RTMBTZQFFCTPTE-OAHLLOKOSA-N 0 0 336.435 5.057 40 30 EKEBRN C=CCc1ccc(O[C@@H](C)c2nc3cc(C)c(C)cc3[nH]2)c(OC)c1 ZINC000076555534 564064310 /nfs/dbraw/zinc/06/43/10/564064310.db2.gz RTMBTZQFFCTPTE-HNNXBMFYSA-N 0 0 336.435 5.057 40 30 EKEBRN CCCCCCCCCCCCCCCCCCNc1ccccc1 ZINC000078015108 564176868 /nfs/dbraw/zinc/17/68/68/564176868.db2.gz UEKWTIYPDJLSKK-UHFFFAOYSA-N 0 0 345.615 8.360 40 30 EKEBRN CCCCCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)c(O)c1 ZINC000078274741 564134432 /nfs/dbraw/zinc/13/44/32/564134432.db2.gz BIGNODGYJZJTBM-AZUAARDMSA-N 0 0 346.555 6.439 40 30 in-vitro EKEBRN S=C(NN=C1CCCCCCCCCCC1)Nc1ccccc1 ZINC000078529045 563921699 /nfs/dbraw/zinc/92/16/99/563921699.db2.gz JTQRUGNHMVYHAD-UHFFFAOYSA-N 0 0 331.529 5.634 40 30 EKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)N1CCCCC1 ZINC000079417938 563970941 /nfs/dbraw/zinc/97/09/41/563970941.db2.gz MSYHTCRNDOWWKR-MDZDMXLPSA-N 0 0 349.603 7.036 40 30 EKEBRN CCCCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)CCCC ZINC000079629205 564118053 /nfs/dbraw/zinc/11/80/53/564118053.db2.gz PVUKABGVNSMFFQ-UHFFFAOYSA-N 0 0 330.259 5.840 40 30 EKEBRN CN1c2ccccc2C(C)(C)/C1=C\C=C1\CCc2ccccc2C1=O ZINC000083314104 217542736 /nfs/dbraw/zinc/54/27/36/217542736.db2.gz DTPLBBMEWNNVFO-WANMUPLOSA-N 0 0 329.443 5.053 40 30 EKEBRN N#Cc1cccc(/C=C\c2ccc(/C=C\c3ccccc3C#N)cc2)c1 ZINC000083317293 563930260 /nfs/dbraw/zinc/93/02/60/563930260.db2.gz JRVKAPLKKVWGKU-ZJQKOVPWSA-N 0 0 332.406 5.771 40 30 EKEBRN N#Cc1cccc(/C=C\c2ccc(/C=C/c3ccccc3C#N)cc2)c1 ZINC000083317295 563930237 /nfs/dbraw/zinc/93/02/37/563930237.db2.gz JRVKAPLKKVWGKU-FSALDASDSA-N 0 0 332.406 5.771 40 30 EKEBRN N#Cc1cccc(/C=C/c2ccc(/C=C\c3ccccc3C#N)cc2)c1 ZINC000083317300 563930254 /nfs/dbraw/zinc/93/02/54/563930254.db2.gz JRVKAPLKKVWGKU-NQDQBVNISA-N 0 0 332.406 5.771 40 30 EKEBRN CCN1c2ccccc2C=C/C1=C\C=C1\CCc2ccccc2C1=O ZINC000083333822 132819682 /nfs/dbraw/zinc/81/96/82/132819682.db2.gz OKSGZNOCNODWPP-XVXRZGLOSA-N 0 0 327.427 5.179 40 30 EKEBRN CCCCCCCCCCCCCCCCCCSCCO ZINC000085428472 563973806 /nfs/dbraw/zinc/97/38/06/563973806.db2.gz FHDOHGWCPQVESM-UHFFFAOYSA-N 0 0 330.622 6.973 40 30 EKEBRN CCCCCCCC/C=C/CCCCCCCCOC[C@H](O)CO ZINC000085478953 217673648 /nfs/dbraw/zinc/67/36/48/217673648.db2.gz NRWMBHYHFFGEEC-LCCNJJIFSA-N 0 0 342.564 5.394 40 30 EKEBRN CCCCCCCC/C=C/CCCCCCCCOC[C@@H](O)CO ZINC000085478954 563973847 /nfs/dbraw/zinc/97/38/47/563973847.db2.gz NRWMBHYHFFGEEC-GLCJEOIMSA-N 0 0 342.564 5.394 40 30 EKEBRN CCCCCCCCCCCCC=C1C(=O)C(=O)CC(OC)C1=O ZINC000085638768 519987720 /nfs/dbraw/zinc/98/77/20/519987720.db2.gz FRAFMLCDGYVHNZ-UHFFFAOYSA-N 0 0 336.472 5.182 40 30 EKEBRN CCCCCCCC/C=C/C=C/C=C\[C@@H]1O[C@H]1CCCC(=O)OC ZINC000085691242 563973965 /nfs/dbraw/zinc/97/39/65/563973965.db2.gz YOAQIJHBMIIBJM-DUHAGCEXSA-N 0 0 334.500 5.516 40 30 EKEBRN CCCCCCCC/C=C/CCCCCCCc1cc(O)cc(O)c1 ZINC000085832175 563931508 /nfs/dbraw/zinc/93/15/08/563931508.db2.gz DQSWQRFGZIJUCI-MDZDMXLPSA-N 0 0 346.555 7.288 40 30 EKEBRN CCCCCCCCCCCCCCCCCC[C@H](O)C(=O)OC ZINC000085846674 563974018 /nfs/dbraw/zinc/97/40/18/563974018.db2.gz ILUGNSBVAUHPIN-FQEVSTJZSA-N 0 0 342.564 6.172 40 30 EKEBRN CCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)OC ZINC000085846680 564091415 /nfs/dbraw/zinc/09/14/15/564091415.db2.gz ILUGNSBVAUHPIN-HXUWFJFHSA-N 0 0 342.564 6.172 40 30 EKEBRN CC(=O)c1cccc(N=CC=C2C=C(c3ccccc3)OC(C)(C)O2)c1 ZINC000085881174 563931461 /nfs/dbraw/zinc/93/14/61/563931461.db2.gz JXYGEADZRMSNEQ-FALHINMVSA-N 0 0 347.414 5.299 40 30 EKEBRN CC(=O)c1ccc(N=CC=C2C=C(c3ccccc3)OC(C)(C)O2)cc1 ZINC000085884056 563931469 /nfs/dbraw/zinc/93/14/69/563931469.db2.gz VCJDIAWNVFLILL-OBUBVWICSA-N 0 0 347.414 5.299 40 30 EKEBRN CCCCCCCCCCCC(O)CCCCCCCCCCC ZINC000086001456 563974016 /nfs/dbraw/zinc/97/40/16/563974016.db2.gz PFMNFSXMCRSYMU-UHFFFAOYSA-N 0 0 340.636 8.189 40 30 endogenous,in-man EKEBRN CCCCCCCCCCCCCCCCCCCCCC(C)C ZINC000086052449 217688578 /nfs/dbraw/zinc/68/85/78/217688578.db2.gz JNHSEDRFFJZMLH-UHFFFAOYSA-N 0 0 338.664 9.464 40 30 endogenous,in-man EKEBRN Oc1ccc2ccccc2c1/C=N\c1ccc(Br)cc1 ZINC000086053385 563974069 /nfs/dbraw/zinc/97/40/69/563974069.db2.gz PXLPAZKKRLOYAO-ODLFYWEKSA-N 0 0 326.193 5.059 40 30 EKEBRN C=C(C)c1ccc(OCc2ccccc2)cc1OCc1ccccc1 ZINC000089157199 563920638 /nfs/dbraw/zinc/92/06/38/563920638.db2.gz BMUQCXQKEZAKPW-UHFFFAOYSA-N 0 0 330.427 5.878 40 30 EKEBRN CCCCCCCC/C=C/C=C/C=C/[C@@H]1O[C@H]1CCCC(=O)OC ZINC000089456628 563974731 /nfs/dbraw/zinc/97/47/31/563974731.db2.gz YOAQIJHBMIIBJM-FZPAGVOQSA-N 0 0 334.500 5.516 40 30 EKEBRN CCCCCCc1ccc(-c2ccc(-c3ccc(C#N)cc3)cc2)cc1 ZINC000095093065 203713650 /nfs/dbraw/zinc/71/36/50/203713650.db2.gz SVDRGQIOEGPZKJ-UHFFFAOYSA-N 0 0 339.482 7.015 40 30 EKEBRN CCCCCc1ccc(-c2ccc(C#N)cc2-c2ccccc2)cc1 ZINC000095496368 564141595 /nfs/dbraw/zinc/14/15/95/564141595.db2.gz PBMCTXQDYLSLTP-UHFFFAOYSA-N 0 0 325.455 6.625 40 30 EKEBRN CCCCC[C@H]1O[C@H]1C/C=C\C/C=C\CCCCCCC(=O)OC ZINC000095644675 564141801 /nfs/dbraw/zinc/14/18/01/564141801.db2.gz FZUFCVATWQINBH-PYQKRGIJSA-N 0 0 336.516 5.740 40 30 in-vitro EKEBRN C=C(C)C(C)(C)CC(=O)c1cn(CC2CCOCC2)c2ccccc12 ZINC000095705107 564129938 /nfs/dbraw/zinc/12/99/38/564129938.db2.gz SHMFIOCKSMJXSG-UHFFFAOYSA-N 0 0 339.479 5.243 40 30 in-vitro EKEBRN CCCCCCCCCCP(=O)(OCCCC)OCCCC ZINC000095705108 563977604 /nfs/dbraw/zinc/97/76/04/563977604.db2.gz MBCXIKUNYKOIOD-UHFFFAOYSA-N 0 0 334.481 6.954 40 30 EKEBRN COS(=O)(=O)CCCCCCCCCCCCc1ccccc1 ZINC000095864987 563977727 /nfs/dbraw/zinc/97/77/27/563977727.db2.gz PWNCJUAVRRJKNP-UHFFFAOYSA-N 0 0 340.529 5.106 40 30 EKEBRN C=CCOC(=O)CCCCCCC[C@@H]1O[C@@H]1CCCCCCCC ZINC000095876443 563977707 /nfs/dbraw/zinc/97/77/07/563977707.db2.gz KHPNSFFGLLOSHH-UXHICEINSA-N 0 0 338.532 5.964 40 30 EKEBRN C=CCOC(=O)CCCCCCC[C@@H]1O[C@H]1CCCCCCCC ZINC000095876444 563977708 /nfs/dbraw/zinc/97/77/08/563977708.db2.gz KHPNSFFGLLOSHH-PMACEKPBSA-N 0 0 338.532 5.964 40 30 EKEBRN C=CCOC(=O)CCCCCCC[C@H]1O[C@@H]1CCCCCCCC ZINC000095876445 218449521 /nfs/dbraw/zinc/44/95/21/218449521.db2.gz KHPNSFFGLLOSHH-WOJBJXKFSA-N 0 0 338.532 5.964 40 30 EKEBRN C=CCOC(=O)CCCCCCC[C@H]1O[C@H]1CCCCCCCC ZINC000095876446 563977718 /nfs/dbraw/zinc/97/77/18/563977718.db2.gz KHPNSFFGLLOSHH-VQTJNVASSA-N 0 0 338.532 5.964 40 30 EKEBRN CC(=CC(=O)c1ccccc1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000096006192 563977872 /nfs/dbraw/zinc/97/78/72/563977872.db2.gz HACQMFQDGUEMMR-ZOYGIQIFSA-N 0 0 341.414 6.301 40 30 EKEBRN CC(=CC(=O)c1ccccc1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000096006193 563977905 /nfs/dbraw/zinc/97/79/05/563977905.db2.gz HACQMFQDGUEMMR-CPXJLSPNSA-N 0 0 341.414 6.301 40 30 EKEBRN Oc1ccc2ccccc2c1/C=N\c1cccc(Br)c1 ZINC000096006210 563977918 /nfs/dbraw/zinc/97/79/18/563977918.db2.gz IFCQGLWWMCKCFN-ODLFYWEKSA-N 0 0 326.193 5.059 40 30 EKEBRN CCN1c2ccccc2S/C1=C\C=C1\CCc2ccccc2C1=O ZINC000096094076 563979163 /nfs/dbraw/zinc/97/91/63/563979163.db2.gz YSUNOCYISGYCCX-WQBPOOPKSA-N 0 0 333.456 5.216 40 30 EKEBRN CC(C)Sc1cc(-c2nc(-c3ccc(C#N)cc3)cs2)ccn1 ZINC000096136801 564128670 /nfs/dbraw/zinc/12/86/70/564128670.db2.gz ZZVGOGRIEHWCDO-UHFFFAOYSA-N 0 0 337.473 5.244 40 30 EKEBRN CC(=NNc1cc(C(F)(F)F)ccc1Cl)c1ccccc1F ZINC000096399134 564086404 /nfs/dbraw/zinc/08/64/04/564086404.db2.gz IHPADXIFYGHAQJ-NKVSQWTQSA-N 0 0 330.712 5.334 40 30 EKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/C=C\c3ccccc3)sc2C1 ZINC000096602769 564051316 /nfs/dbraw/zinc/05/13/16/564051316.db2.gz IVFVIKAGXCYQCC-AEGBCBGUSA-N 0 0 348.515 6.186 40 30 EKEBRN CC1(C)[C@@H]2CC[C@@]1(C)C(N=Nc1nc(-c3ccccc3)cs1)C2 ZINC000096609292 218884694 /nfs/dbraw/zinc/88/46/94/218884694.db2.gz LPZRONVVQPPYEV-FNTYCPMISA-N 0 0 325.481 5.424 40 30 EKEBRN Oc1ccc2ccccc2c1/C=N\Cc1c(O)ccc2ccccc21 ZINC000096901458 563981172 /nfs/dbraw/zinc/98/11/72/563981172.db2.gz FQPAVMLGOVHHFR-QRVIBDJDSA-N 0 0 327.383 5.023 40 30 in-vitro EKEBRN CCCCCCCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 ZINC000097950303 563963207 /nfs/dbraw/zinc/96/32/07/563963207.db2.gz VMYRYXPWWCSDCO-UHFFFAOYSA-N 0 0 339.523 6.477 40 30 in-vitro EKEBRN CCCCCCC[C@H]1C(=O)C[C@@H](c2ccccc2)N[C@H]1c1ccccc1 ZINC000097966123 219065757 /nfs/dbraw/zinc/06/57/57/219065757.db2.gz XGOHLQCHAGLKHP-FIXSFTCYSA-N 0 0 349.518 6.008 40 30 EKEBRN CCCCCCC[C@H]1C(=O)C[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000097966125 563982112 /nfs/dbraw/zinc/98/21/12/563982112.db2.gz XGOHLQCHAGLKHP-WPFOTENUSA-N 0 0 349.518 6.008 40 30 EKEBRN CCCCCCCC(=O)Nc1ccc(C(=O)NCCCCCC)cc1 ZINC000098001387 219067492 /nfs/dbraw/zinc/06/74/92/219067492.db2.gz LKZNJKJQADPGNC-UHFFFAOYSA-N 0 0 346.515 5.296 40 30 EKEBRN CCCCCCCCCCOc1c(Cl)cc(C=O)cc1OC ZINC000098005223 563982217 /nfs/dbraw/zinc/98/22/17/563982217.db2.gz BCGXVWXKBFQZCY-UHFFFAOYSA-N 0 0 326.864 5.681 40 30 EKEBRN CCCCCCCCSC1(n2nnc3ccccc32)CCCCC1 ZINC000100000776 564075162 /nfs/dbraw/zinc/07/51/62/564075162.db2.gz ZCJJSZBERZIVJU-UHFFFAOYSA-N 0 0 345.556 6.142 40 30 EKEBRN CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/OC(=O)c1ccc(-c3ccccc3)cc1)C2 ZINC000100006271 219088132 /nfs/dbraw/zinc/08/81/32/219088132.db2.gz AOWSCJKKFKCUOW-KKWWACHDSA-N 0 0 347.458 5.713 40 30 EKEBRN CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/OC(=O)c1ccc(Cl)cc1Cl)C2 ZINC000100006279 219088251 /nfs/dbraw/zinc/08/82/51/219088251.db2.gz REBJMFRQDKSDHF-TZICJZKASA-N 0 0 340.250 5.352 40 30 EKEBRN CCCCCCCCCCCOCCCCCCCCCCC ZINC000100016551 563982281 /nfs/dbraw/zinc/98/22/81/563982281.db2.gz TXYKVMGAIGVXFY-UHFFFAOYSA-N 0 0 326.609 8.065 40 30 EKEBRN CCCCCCCCCOC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000100024661 563982276 /nfs/dbraw/zinc/98/22/76/563982276.db2.gz AFRRIIUGPLJXIR-UHFFFAOYSA-N 0 0 332.271 6.293 40 30 EKEBRN Clc1cccc(Cl)c1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000100031425 563982296 /nfs/dbraw/zinc/98/22/96/563982296.db2.gz BPFWRPGDJAVGLD-LPYMAVHISA-N 0 0 342.225 6.536 40 30 EKEBRN CCCCCCCCCCCCCCCCCCN1C(=O)C=CC1=O ZINC000100055236 563982322 /nfs/dbraw/zinc/98/23/22/563982322.db2.gz HOLZCMFSCBLOLX-UHFFFAOYSA-N 0 0 349.559 6.173 40 30 EKEBRN C(=N/c1ccc(N2Cc3ccccc3C2)cc1)\c1cccc2ccccc12 ZINC000100060408 219089659 /nfs/dbraw/zinc/08/96/59/219089659.db2.gz DDMFLHZKIBIALW-WGOQTCKBSA-N 0 0 348.449 6.111 40 30 EKEBRN CCCCCCCOC(=O)CCCCC(=O)OCCCCCCC ZINC000100061933 219089910 /nfs/dbraw/zinc/08/99/10/219089910.db2.gz SITULKFUBJXOJH-UHFFFAOYSA-N 0 0 342.520 5.574 40 30 EKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](C)O ZINC000100063363 219089928 /nfs/dbraw/zinc/08/99/28/219089928.db2.gz ZVTDEEBSWIQAFJ-CTDFXDFQSA-N 0 0 340.548 5.948 40 30 EKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](C)O ZINC000100063368 563982328 /nfs/dbraw/zinc/98/23/28/563982328.db2.gz ZVTDEEBSWIQAFJ-CFGKVWFZSA-N 0 0 340.548 5.948 40 30 EKEBRN CCCCCCCCCCCC(=O)c1c(O)ccc2ccccc21 ZINC000100071414 563982334 /nfs/dbraw/zinc/98/23/34/563982334.db2.gz LGQPEUSEBNFGEC-UHFFFAOYSA-N 0 0 326.480 6.649 40 30 EKEBRN CCCCCCCCCCCCN(CCCC)C(=O)CC(C)=O ZINC000100071433 219089627 /nfs/dbraw/zinc/08/96/27/219089627.db2.gz YBZNFAPTMAUKPF-UHFFFAOYSA-N 0 0 325.537 5.515 40 30 EKEBRN CCCCCCCCCCCCCCCCNC(=O)CC(C)=O ZINC000100071517 219089761 /nfs/dbraw/zinc/08/97/61/219089761.db2.gz NDSQLYUWCXRSCB-UHFFFAOYSA-N 0 0 325.537 5.563 40 30 EKEBRN CCCCCCCOc1ccc(-c2ncc(CCCC)cn2)cc1 ZINC000100074458 563982329 /nfs/dbraw/zinc/98/23/29/563982329.db2.gz QHENCFGRJREZKQ-UHFFFAOYSA-N 0 0 326.484 5.835 40 30 EKEBRN CCCCCCCOc1ccc(-c2ncc(CCCCC)cn2)cc1 ZINC000100074459 563982336 /nfs/dbraw/zinc/98/23/36/563982336.db2.gz PFDKPGUDUWSIFX-UHFFFAOYSA-N 0 0 340.511 6.226 40 30 EKEBRN CCCCCCCCCCS(=O)CCCCCCCCCC ZINC000100075351 219090740 /nfs/dbraw/zinc/09/07/40/219090740.db2.gz WXMZAPNGBZURBO-UHFFFAOYSA-N 0 0 330.622 7.017 40 30 EKEBRN CC(C)c1ccc(/C=N/c2ccc(N3Cc4ccccc4C3)cc2)cc1 ZINC000100082148 219090531 /nfs/dbraw/zinc/09/05/31/219090531.db2.gz IHIBDCKLMVZKPP-MFKUBSTISA-N 0 0 340.470 6.081 40 30 EKEBRN CCCCCCCCCCS(=O)(=O)CCCCCCCCCC ZINC000100083985 219091098 /nfs/dbraw/zinc/09/10/98/219091098.db2.gz VXDCCDLGCOFZBL-UHFFFAOYSA-N 0 0 346.621 6.683 40 30 EKEBRN CCCCCCCCCc1ccc(O)c(CCCCCCCCC)c1 ZINC000100094958 219090860 /nfs/dbraw/zinc/09/08/60/219090860.db2.gz FDAJTLLBHNHECW-UHFFFAOYSA-N 0 0 346.599 7.978 40 30 EKEBRN Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3cccc(O)c3)cc1)C2 ZINC000100102529 206219091 /nfs/dbraw/zinc/21/90/91/206219091.db2.gz UPFGBZGPNOGBCB-ZMOGYAJESA-N 0 0 342.442 5.280 40 30 EKEBRN Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3ccccc3)cc1)C2 ZINC000100102539 219091847 /nfs/dbraw/zinc/09/18/47/219091847.db2.gz YSVPQKBLRHAGKG-ZVHZXABRSA-N 0 0 326.443 5.574 40 30 EKEBRN Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3cccs3)cc1)C2 ZINC000100102545 206219770 /nfs/dbraw/zinc/21/97/70/206219770.db2.gz WMFORAOJPNYYHH-WSDLNYQXSA-N 0 0 332.472 5.636 40 30 EKEBRN Cc1cc(/C=N/c2cccc(C)c2C)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000100116478 219091336 /nfs/dbraw/zinc/09/13/36/219091336.db2.gz YSEUOBQYBADXIH-LPYMAVHISA-N 0 0 347.418 5.370 40 30 EKEBRN Cc1cc(/C=N/c2cccc(C)c2C)c(C)n1-c1cc(C)cc(C)c1 ZINC000100116485 219091866 /nfs/dbraw/zinc/09/18/66/219091866.db2.gz GWYHZMHWUVVRLE-ZVHZXABRSA-N 0 0 330.475 6.078 40 30 EKEBRN Cc1cc(/C=N/c2ccc(C)cc2C)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000100116505 219091798 /nfs/dbraw/zinc/09/17/98/219091798.db2.gz HFBDHZMENCSEER-LPYMAVHISA-N 0 0 347.418 5.370 40 30 EKEBRN Cc1cc(/C=N/c2ccc(C)cc2C)c(C)n1-c1cc(C)cc(C)c1 ZINC000100116510 219091678 /nfs/dbraw/zinc/09/16/78/219091678.db2.gz DCFBDWBJFJGXRQ-ZVHZXABRSA-N 0 0 330.475 6.078 40 30 EKEBRN Cc1cc(/C=N/c2cc(C)ccc2C)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000100116520 219091818 /nfs/dbraw/zinc/09/18/18/219091818.db2.gz AJFHLDPRRUSUAT-LPYMAVHISA-N 0 0 347.418 5.370 40 30 EKEBRN Cc1cc(/C=N\c2ccc(C)c([N+](=O)[O-])c2)c(C)n1-c1ccccc1 ZINC000100116560 219091758 /nfs/dbraw/zinc/09/17/58/219091758.db2.gz NLMCUUBZGIAOMG-BKUYFWCQSA-N 0 0 333.391 5.061 40 30 EKEBRN Cc1cc(/C=N/c2cccc([N+](=O)[O-])c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000100116580 206218850 /nfs/dbraw/zinc/21/88/50/206218850.db2.gz UJBHDIRLTRHJPS-LPYMAVHISA-N 0 0 347.418 5.370 40 30 EKEBRN Cc1cc(/C=N/c2ccc(C)c(C)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000100116631 206220056 /nfs/dbraw/zinc/22/00/56/206220056.db2.gz WCJODTBYXZXRBF-LPYMAVHISA-N 0 0 347.418 5.370 40 30 EKEBRN Cc1cc(/C=N/c2ccc(C)c(C)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000100116633 206219952 /nfs/dbraw/zinc/21/99/52/206219952.db2.gz LZIKFVKUHGTQKY-ZVHZXABRSA-N 0 0 330.475 6.078 40 30 EKEBRN Cc1cc(/C=N/c2cc(C)cc(C)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000100116644 219091295 /nfs/dbraw/zinc/09/12/95/219091295.db2.gz QCUHNFVVNVXNIV-LPYMAVHISA-N 0 0 347.418 5.370 40 30 EKEBRN Cc1cc(/C=N/c2cc(C)cc(C)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000100116651 206218879 /nfs/dbraw/zinc/21/88/79/206218879.db2.gz JKOWFXVJWACSBB-ZVHZXABRSA-N 0 0 330.475 6.078 40 30 EKEBRN Cc1cc(/C=N/c2cccc(C)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000100116656 219091936 /nfs/dbraw/zinc/09/19/36/219091936.db2.gz RSBNFAKRMNOFHC-FYJGNVAPSA-N 0 0 333.391 5.061 40 30 EKEBRN Cc1cc(/C=N/c2cccc(Cl)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000100116684 219091461 /nfs/dbraw/zinc/09/14/61/219091461.db2.gz SNPVJXHIVVLJCF-YDZHTSKRSA-N 0 0 336.866 6.115 40 30 EKEBRN Cc1cc(/C=N\c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccccc1 ZINC000100116731 219091543 /nfs/dbraw/zinc/09/15/43/219091543.db2.gz UMGIXOMWAYRSHK-JLPGSUDCSA-N 0 0 330.475 6.142 40 30 EKEBRN Cc1cc(/C=N/c2ccc(Cl)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000100116789 219091691 /nfs/dbraw/zinc/09/16/91/219091691.db2.gz NHLJBQLNRIXQSO-YDZHTSKRSA-N 0 0 336.866 6.115 40 30 EKEBRN Clc1ccc(/C=N\c2ccc3c(c2)Cc2ccccc2-3)c(Cl)c1 ZINC000100133432 219092155 /nfs/dbraw/zinc/09/21/55/219092155.db2.gz YKPFOXXJYJZZGO-FMCGGJTJSA-N 0 0 338.237 6.315 40 30 in-vitro EKEBRN CCCCCCCCCCCCCCCC#CC1(O)CCCCC1 ZINC000100134484 563982369 /nfs/dbraw/zinc/98/23/69/563982369.db2.gz GAXZWHKFUYWQNZ-UHFFFAOYSA-N 0 0 334.588 7.166 40 30 EKEBRN Cc1ccc(/C=N/C(/N=C/c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000100141108 564044086 /nfs/dbraw/zinc/04/40/86/564044086.db2.gz UXGFPCAZAOEVCT-ZZZAPRPPSA-N 0 0 340.470 5.849 40 30 EKEBRN CCCCCCCOc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000100153258 206216925 /nfs/dbraw/zinc/21/69/25/206216925.db2.gz OAKOJBHXXPUSBR-UHFFFAOYSA-N 0 0 341.451 5.297 40 30 EKEBRN CCCCCCCCOc1c(Br)cc(C=O)cc1OC ZINC000100154014 564012281 /nfs/dbraw/zinc/01/22/81/564012281.db2.gz VNJOAFSMTCNNTO-UHFFFAOYSA-N 0 0 343.261 5.010 40 30 EKEBRN CCc1ccc(/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 ZINC000100160539 219093328 /nfs/dbraw/zinc/09/33/28/219093328.db2.gz NOJHOMKYKQKMAV-HYARGMPZSA-N 0 0 347.418 5.315 40 30 EKEBRN CCc1ccc(/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 ZINC000100160546 219093217 /nfs/dbraw/zinc/09/32/17/219093217.db2.gz XRXSTDQNSZJGTD-BUVRLJJBSA-N 0 0 330.475 6.024 40 30 EKEBRN CCCCCCCCCCC/C(=N\NC(N)=S)c1ccc(C)cc1 ZINC000100166615 219093387 /nfs/dbraw/zinc/09/33/87/219093387.db2.gz YBZGYGYCOCLFPE-ZBJSNUHESA-N 0 0 347.572 5.453 40 30 EKEBRN CCCCCCCC/C=C\CCCCCCCCC(=O)C(F)(F)F ZINC000100168498 564084876 /nfs/dbraw/zinc/08/48/76/564084876.db2.gz UWGWDWAUAHMRHB-KTKRTIGZSA-N 0 0 348.493 7.545 40 30 EKEBRN Cc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1-c1ccc(C)cc1 ZINC000100191281 219094131 /nfs/dbraw/zinc/09/41/31/219094131.db2.gz NNFRVKAJSDZZDF-MFKUBSTISA-N 0 0 339.442 5.701 40 30 EKEBRN O=[N+]([O-])c1cccc(/C=N\c2ccc(/N=N/c3ccccc3)cc2)c1 ZINC000100202925 219094077 /nfs/dbraw/zinc/09/40/77/219094077.db2.gz WWRKYXPXQZJAGM-VTWIIDCKSA-N 0 0 330.347 5.761 40 30 EKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccccc3)c2C)cc1 ZINC000100212180 564012287 /nfs/dbraw/zinc/01/22/87/564012287.db2.gz YEIFSHAOYIBFJH-HZHRSRAPSA-N 0 0 346.430 5.021 40 30 EKEBRN CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1O ZINC000100223804 564012302 /nfs/dbraw/zinc/01/23/02/564012302.db2.gz VYWUDXGVRCHJHT-PXLXIMEGSA-N 0 0 333.387 5.334 40 30 EKEBRN CCCCCCCc1c2ccccc2n(C(=O)OC(C)(C)C)c1CC ZINC000100238423 219095058 /nfs/dbraw/zinc/09/50/58/219095058.db2.gz SQXPWLMLXHPKSK-UHFFFAOYSA-N 0 0 343.511 6.500 40 30 EKEBRN O=C(C=CNc1ccc(N=Nc2ccccc2)cc1)c1ccccc1 ZINC000100244884 563982439 /nfs/dbraw/zinc/98/24/39/563982439.db2.gz CJHWTYVEIFQMQR-JYBOYVOYSA-N 0 0 327.387 5.911 40 30 EKEBRN Cc1ccc(C(=O)C=CNc2ccc(N=Nc3ccccc3)cc2)cc1 ZINC000100245105 219095291 /nfs/dbraw/zinc/09/52/91/219095291.db2.gz DHZKZZNYLTUXJU-PBTXOSIISA-N 0 0 341.414 6.219 40 30 EKEBRN CC(=CC(=O)c1cccnc1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000100246507 563982438 /nfs/dbraw/zinc/98/24/38/563982438.db2.gz CARYZHDZTGBTBD-IJWHOLGXSA-N 0 0 342.402 5.696 40 30 EKEBRN CCOc1cccc(/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1 ZINC000100247997 206219398 /nfs/dbraw/zinc/21/93/98/206219398.db2.gz IMQRFOARHQPLAC-BUVRLJJBSA-N 0 0 346.474 5.860 40 30 EKEBRN CCOc1cccc(/C=N/c2cc(C(F)(F)F)ccc2Cl)c1O ZINC000100248078 257870143 /nfs/dbraw/zinc/87/01/43/257870143.db2.gz GYQCDHCWBUUUEF-ZVBGSRNCSA-N 0 0 343.732 5.214 40 30 EKEBRN Oc1ccc2ccccc2c1/C=N\c1ccc(Oc2ccccc2)cc1 ZINC000100248266 563982448 /nfs/dbraw/zinc/98/24/48/563982448.db2.gz HPHAMBOJMRZCFU-JLPGSUDCSA-N 0 0 339.394 6.088 40 30 EKEBRN Oc1c(/C=N\c2ccc(Br)cc2)ccc2ccccc12 ZINC000100248412 563982461 /nfs/dbraw/zinc/98/24/61/563982461.db2.gz GHNSLMGYVKZPQV-ODLFYWEKSA-N 0 0 326.193 5.059 40 30 EKEBRN Oc1c(/C=N\c2cccc(Br)c2)ccc2ccccc12 ZINC000100248419 563982441 /nfs/dbraw/zinc/98/24/41/563982441.db2.gz NFTVASZWBBPDGV-ODLFYWEKSA-N 0 0 326.193 5.059 40 30 EKEBRN Oc1c(/C=N\c2ccc(Oc3ccccc3)cc2)ccc2ccccc21 ZINC000100248490 219095607 /nfs/dbraw/zinc/09/56/07/219095607.db2.gz FBDYQLDIFTXMEX-JLPGSUDCSA-N 0 0 339.394 6.088 40 30 EKEBRN Cc1cc(/C=N/c2ccc(N(C)C)cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000100252406 206219037 /nfs/dbraw/zinc/21/90/37/206219037.db2.gz YPWAQSJOLXRJSC-BUVRLJJBSA-N 0 0 345.490 5.528 40 30 EKEBRN CN(C)c1ccc(/C=N/c2ccc(N3Cc4ccccc4C3)cc2)cc1 ZINC000100253326 564012286 /nfs/dbraw/zinc/01/22/86/564012286.db2.gz REQVFUCLQYEIKI-BUVRLJJBSA-N 0 0 341.458 5.023 40 30 EKEBRN Cc1nc(N=NC(N=Nc2ccccc2)c2ccccc2)sc1C ZINC000100266417 526628527 /nfs/dbraw/zinc/62/85/27/526628527.db2.gz GIFKVQOPAJDJLO-TYIFWNGBSA-N 0 0 335.436 5.318 40 30 EKEBRN COc1ccccc1/N=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000100290596 219095923 /nfs/dbraw/zinc/09/59/23/219095923.db2.gz DHZXKMMUTNOWPP-OEAKJJBVSA-N 0 0 332.447 5.470 40 30 EKEBRN CCCCCCCC(=O)OCCCCOC(=O)CCCCCCC ZINC000100295348 219096121 /nfs/dbraw/zinc/09/61/21/219096121.db2.gz JYJAMZPYEGWUDM-UHFFFAOYSA-N 0 0 342.520 5.574 40 30 EKEBRN CCCCCCCC(O)(CCCCCCC)CCCCCCC ZINC000100295760 563982507 /nfs/dbraw/zinc/98/25/07/563982507.db2.gz CTXSMOGGQQVIQK-UHFFFAOYSA-N 0 0 326.609 7.799 40 30 EKEBRN CCCCCCCC/C=C/CCCCCCCCC(=O)C(F)(F)F ZINC000100296584 219095763 /nfs/dbraw/zinc/09/57/63/219095763.db2.gz UWGWDWAUAHMRHB-MDZDMXLPSA-N 0 0 348.493 7.545 40 30 EKEBRN CCCCCCCC[C@](CC[NH+](CC)CC)(C(=O)[O-])c1ccccc1 ZINC000100298348 219096271 /nfs/dbraw/zinc/09/62/71/219096271.db2.gz KNPZROANQBBEIJ-JOCHJYFZSA-N 0 0 347.543 5.492 40 30 EKEBRN CCCCCCCC[C@@](CC[NH+](CC)CC)(C(=O)[O-])c1ccccc1 ZINC000100298351 219096045 /nfs/dbraw/zinc/09/60/45/219096045.db2.gz KNPZROANQBBEIJ-QFIPXVFZSA-N 0 0 347.543 5.492 40 30 EKEBRN CCCCCCCC[C@@H](CCCCCCCCC#N)c1ccccc1 ZINC000100298367 219096286 /nfs/dbraw/zinc/09/62/86/219096286.db2.gz YISBZZIOJVHLBX-QHCPKHFHSA-N 0 0 341.583 8.165 40 30 EKEBRN CCCCCCCC[C@H](CCCCCCCCC#N)c1ccccc1 ZINC000100298371 219096015 /nfs/dbraw/zinc/09/60/15/219096015.db2.gz YISBZZIOJVHLBX-HSZRJFAPSA-N 0 0 341.583 8.165 40 30 EKEBRN CCCCCCCC/C=C/C/C=C\C/C=C\CCCC(=O)NCCO ZINC000100298956 219096006 /nfs/dbraw/zinc/09/60/06/219096006.db2.gz YKGQBEGMUSSPFY-SLWLPBBHSA-N 0 0 349.559 5.465 40 30 EKEBRN CCCCCCCC/C=C/C/C=C/C/C=C\CCCC(=O)NCCO ZINC000100298962 219095920 /nfs/dbraw/zinc/09/59/20/219095920.db2.gz YKGQBEGMUSSPFY-YDGTZJKXSA-N 0 0 349.559 5.465 40 30 EKEBRN CCCCCCCCCCC=Cc1c(C)[nH]c2ccccc2c1=O ZINC000100302059 563982510 /nfs/dbraw/zinc/98/25/10/563982510.db2.gz NYSUEMTXPNTMPW-QINSGFPZSA-N 0 0 325.496 6.381 40 30 EKEBRN CCCCCCCCCCCC(=O)O[C@@H](C)C(=O)Nc1ccccc1 ZINC000100302532 563982503 /nfs/dbraw/zinc/98/25/03/563982503.db2.gz MYRDUMWBYFOSFH-SFHVURJKSA-N 0 0 347.499 5.478 40 30 EKEBRN CCCCCCCCCCCC(=O)O[C@H](C)C(=O)Nc1ccccc1 ZINC000100302535 563982497 /nfs/dbraw/zinc/98/24/97/563982497.db2.gz MYRDUMWBYFOSFH-GOSISDBHSA-N 0 0 347.499 5.478 40 30 EKEBRN CCCCCCCCCCCC(=O)OCCOCCOCCCC ZINC000100302697 219095971 /nfs/dbraw/zinc/09/59/71/219095971.db2.gz QDESPZSPZRTZKR-UHFFFAOYSA-N 0 0 344.536 5.284 40 30 EKEBRN CCCCCCCCCCCCC(C(=O)OCC)C(=O)OCC ZINC000100303461 219095739 /nfs/dbraw/zinc/09/57/39/219095739.db2.gz ZYECIWZQAIPVGR-UHFFFAOYSA-N 0 0 328.493 5.040 40 30 EKEBRN CCCCCCCCCCCCCC(=O)OCCC[C@@H]1CCCO1 ZINC000100304483 563992166 /nfs/dbraw/zinc/99/21/66/563992166.db2.gz HPOCEXVOKFHKAC-FQEVSTJZSA-N 0 0 340.548 6.190 40 30 EKEBRN CCCCCCCCCCCCCC(=O)OCCC[C@H]1CCCO1 ZINC000100304484 563992187 /nfs/dbraw/zinc/99/21/87/563992187.db2.gz HPOCEXVOKFHKAC-HXUWFJFHSA-N 0 0 340.548 6.190 40 30 EKEBRN CCCCCCCCCCCCCC(=O)P(=O)(OCC)OCC ZINC000100304493 219096182 /nfs/dbraw/zinc/09/61/82/219096182.db2.gz LXDGWOOPZOZUKZ-UHFFFAOYSA-N 0 0 348.464 6.480 40 30 EKEBRN CCCCCCCCCCCCCCCC(=O)N1CCCCCC1 ZINC000100305772 563982512 /nfs/dbraw/zinc/98/25/12/563982512.db2.gz CACPGDGHDNBWNV-UHFFFAOYSA-N 0 0 337.592 6.870 40 30 EKEBRN CCCCCCCCCCCCCCCC(=O)OCCOCCO ZINC000100306082 219096564 /nfs/dbraw/zinc/09/65/64/219096564.db2.gz RGODSEMCBFJLCL-UHFFFAOYSA-N 0 0 344.536 5.020 40 30 EKEBRN CCCCCCCCCCCCCCCc1nc2ccccc2s1 ZINC000100306353 563982529 /nfs/dbraw/zinc/98/25/29/563982529.db2.gz ASSZNFRDAUDJKI-UHFFFAOYSA-N 0 0 345.596 7.930 40 30 EKEBRN CCCCCCCCCCCCCCCCC1Cc2ccccc2C1 ZINC000100306800 519989788 /nfs/dbraw/zinc/98/97/88/519989788.db2.gz QRMLVRAWZSZLKS-UHFFFAOYSA-N 0 0 342.611 8.273 40 30 EKEBRN CCCCCCCCCCCCCCCC[C@@H]1CCc2ccccc21 ZINC000100306832 563982521 /nfs/dbraw/zinc/98/25/21/563982521.db2.gz QMGOXEWNQKNUQO-HSZRJFAPSA-N 0 0 342.611 8.588 40 30 EKEBRN CCCCCCCCCCCCCCCC[C@H]1CCc2ccccc21 ZINC000100306834 563982516 /nfs/dbraw/zinc/98/25/16/563982516.db2.gz QMGOXEWNQKNUQO-QHCPKHFHSA-N 0 0 342.611 8.588 40 30 EKEBRN CCCCCCCCCCCCCCCCCC(=O)O[C@@H](C)CC ZINC000100307110 563982527 /nfs/dbraw/zinc/98/25/27/563982527.db2.gz OMARWWFUVFAGSK-NRFANRHFSA-N 0 0 340.592 7.590 40 30 EKEBRN CCCCCCCCCCCCCCCCCC(=O)O[C@H](C)CC ZINC000100307113 219097036 /nfs/dbraw/zinc/09/70/36/219097036.db2.gz OMARWWFUVFAGSK-OAQYLSRUSA-N 0 0 340.592 7.590 40 30 EKEBRN CCCCCCCCCCCCCCCCCC1=NC(C)(C)CO1 ZINC000100307599 519992253 /nfs/dbraw/zinc/99/22/53/519992253.db2.gz NVSOSXIRJQBCAP-UHFFFAOYSA-N 0 0 337.592 7.455 40 30 EKEBRN CCCCCCCCCCCCCCCCCCNC(=O)OCC ZINC000100309179 219096748 /nfs/dbraw/zinc/09/67/48/219096748.db2.gz ZQRKKRPGMWJFCH-UHFFFAOYSA-N 0 0 341.580 6.994 40 30 EKEBRN CCCCCCCCCCCCCCCCNC(=O)OC(C)C ZINC000100309895 563982519 /nfs/dbraw/zinc/98/25/19/563982519.db2.gz UMMCTIRBSNSOIX-UHFFFAOYSA-N 0 0 327.553 6.602 40 30 EKEBRN CCCCCCCCCCCCCCCCOc1cccc(C=O)c1 ZINC000100310106 563992165 /nfs/dbraw/zinc/99/21/65/563992165.db2.gz OUXLJXSUHFCQRF-UHFFFAOYSA-N 0 0 346.555 7.359 40 30 EKEBRN CCCCCCCCCCCCCCCCSC(=S)N(C)C ZINC000100310236 219096644 /nfs/dbraw/zinc/09/66/44/219096644.db2.gz WDLNSLNWKYSTQO-UHFFFAOYSA-N 0 0 345.662 7.047 40 30 EKEBRN CCCCCCCCCCCCCOS(=O)(=O)c1ccccc1 ZINC000100310791 563982547 /nfs/dbraw/zinc/98/25/47/563982547.db2.gz KRTNITDCKAVIFI-UHFFFAOYSA-N 0 0 340.529 5.703 40 30 EKEBRN CCCCCCCCCCCCOC(=O)c1ccc(O)c(OC)c1 ZINC000100311125 563982552 /nfs/dbraw/zinc/98/25/52/563982552.db2.gz WUVQTCSYFYTZTM-UHFFFAOYSA-N 0 0 336.472 5.479 40 30 EKEBRN CCCCCCCCNc1cccc2c1C(=O)c1ccccc1C2=O ZINC000100313227 563982537 /nfs/dbraw/zinc/98/25/37/563982537.db2.gz HWPGNGZETQUYKA-UHFFFAOYSA-N 0 0 335.447 5.234 40 30 EKEBRN CCOc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1OCC ZINC000100344135 563992236 /nfs/dbraw/zinc/99/22/36/563992236.db2.gz XTKVXRGPRHAEQY-LPYMAVHISA-N 0 0 341.451 5.372 40 30 EKEBRN COc1ccc(/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 ZINC000100349544 219097473 /nfs/dbraw/zinc/09/74/73/219097473.db2.gz MLOFMCLIXPXJQR-OEAKJJBVSA-N 0 0 332.447 5.470 40 30 EKEBRN CCO/C=N\c1c(C#N)c(-c2ccc(Cl)cc2)cn1-c1ccccc1 ZINC000100350657 219097315 /nfs/dbraw/zinc/09/73/15/219097315.db2.gz WCZDAVCCBYZRSX-UCQKPKSFSA-N 0 0 349.821 5.366 40 30 EKEBRN CCO/C=N\c1c(C#N)c(-c2ccccc2)cn1-c1ccc(Cl)cc1 ZINC000100350673 219097831 /nfs/dbraw/zinc/09/78/31/219097831.db2.gz VCDXVPHQCNBRQN-UCQKPKSFSA-N 0 0 349.821 5.366 40 30 EKEBRN O=c1oc2cc(/N=C\c3ccccc3Cl)ccc2c2ccccc12 ZINC000100366385 563982572 /nfs/dbraw/zinc/98/25/72/563982572.db2.gz ZKALLZGPPRUEMZ-UUYOSTAYSA-N 0 0 333.774 5.350 40 30 EKEBRN N#C[C@@H](c1ccccc1)[C@H](C/C(=N/O)c1ccccc1)c1ccccc1 ZINC000100367399 563982575 /nfs/dbraw/zinc/98/25/75/563982575.db2.gz LENXMXZDEOPCNP-MXYLMPPISA-N 0 0 340.426 5.346 40 30 EKEBRN N#C[C@@H](c1ccccc1)[C@@H](C/C(=N/O)c1ccccc1)c1ccccc1 ZINC000100367407 219097902 /nfs/dbraw/zinc/09/79/02/219097902.db2.gz LENXMXZDEOPCNP-QIJFPUFLSA-N 0 0 340.426 5.346 40 30 EKEBRN COc1cccc(/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1 ZINC000100369570 219097568 /nfs/dbraw/zinc/09/75/68/219097568.db2.gz MAAVEPURPZSUJS-OEAKJJBVSA-N 0 0 332.447 5.470 40 30 EKEBRN N#Cc1c(/N=C/c2ccccc2)oc(-c2ccco2)c1-c1ccco1 ZINC000100419472 206238283 /nfs/dbraw/zinc/23/82/83/206238283.db2.gz YYHLMRCZYKPKSI-LPYMAVHISA-N 0 0 328.327 5.422 40 30 EKEBRN COc1ccc(/N=C\c2ccc(/C=N\c3ccc(OC)cc3)cc2)cc1 ZINC000100441768 219099239 /nfs/dbraw/zinc/09/92/39/219099239.db2.gz WHVPISQBOXRCHR-MPKYGIEOSA-N 0 0 344.414 5.205 40 30 EKEBRN COc1ccc(/N=C/c2ccc(/C=N\c3ccc(OC)cc3)cc2)cc1 ZINC000100441772 219098957 /nfs/dbraw/zinc/09/89/57/219098957.db2.gz WHVPISQBOXRCHR-REPVBDINSA-N 0 0 344.414 5.205 40 30 EKEBRN C=CCSc1nc2ccc(/N=C\c3ccccc3O)cc2s1 ZINC000100457706 219099838 /nfs/dbraw/zinc/09/98/38/219099838.db2.gz ZWPBLWYDADPJLU-WQRHYEAKSA-N 0 0 326.446 5.031 40 30 EKEBRN O=C1C=C(Nc2ccc3oc4ccccc4c3c2)c2ccccc2C1=O ZINC000100461244 219099815 /nfs/dbraw/zinc/09/98/15/219099815.db2.gz UAMZYZYZDNCELW-PTGBLXJZSA-N 0 0 339.350 5.345 40 30 EKEBRN O=C1C=C(Nc2ccc(Oc3ccccc3)cc2)c2ccccc2C1=O ZINC000100461262 219099714 /nfs/dbraw/zinc/09/97/14/219099714.db2.gz XGWRPXKGJHVDBL-BSYVCWPDSA-N 0 0 341.366 5.238 40 30 EKEBRN O=[N+]([O-])c1ccc(Cl)c(/C=N\c2ccc(Cl)cc2Cl)c1 ZINC000100479853 219100510 /nfs/dbraw/zinc/10/05/10/219100510.db2.gz KBLANUPDCVBLRO-IDUWFGFVSA-N 0 0 329.570 5.306 40 30 EKEBRN O=[N+]([O-])c1ccc(Cl)c(/C=N\c2ccc(Cl)c(Cl)c2)c1 ZINC000100479866 219100681 /nfs/dbraw/zinc/10/06/81/219100681.db2.gz UJPKDPYMYGDVAN-IDUWFGFVSA-N 0 0 329.570 5.306 40 30 EKEBRN O=[N+]([O-])c1cc(/C=N\c2ccc(Cl)cc2Cl)ccc1Cl ZINC000100480097 206243706 /nfs/dbraw/zinc/24/37/06/206243706.db2.gz PSBPITXGLCWXEN-IDUWFGFVSA-N 0 0 329.570 5.306 40 30 EKEBRN O=[N+]([O-])c1cc(/C=N\c2ccc(Cl)c(Cl)c2)ccc1Cl ZINC000100480101 219100586 /nfs/dbraw/zinc/10/05/86/219100586.db2.gz ACFGLOAUQYKITF-IDUWFGFVSA-N 0 0 329.570 5.306 40 30 EKEBRN CCCCCCCCCCCC(=O)Nc1nc2ccc(C)cc2s1 ZINC000100493392 564012839 /nfs/dbraw/zinc/01/28/39/564012839.db2.gz NPAZGHYSUXOGCK-UHFFFAOYSA-N 0 0 346.540 6.464 40 30 EKEBRN Cc1cc2c(c(C)c1)-c1nc3ccccc3cc1/C2=N/C1CCCCC1 ZINC000100494371 219100679 /nfs/dbraw/zinc/10/06/79/219100679.db2.gz DFOKRQCVEPUGJD-WJTDDFOZSA-N 0 0 340.470 6.002 40 30 EKEBRN CCCCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C(=O)OC ZINC000100501255 563982645 /nfs/dbraw/zinc/98/26/45/563982645.db2.gz HGNQNYGDTMTXFI-HTXRNKDDSA-N 0 0 344.539 6.861 40 30 EKEBRN CCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)OC ZINC000100501261 203995776 /nfs/dbraw/zinc/99/57/76/203995776.db2.gz LUYYTKKXYNRVHQ-TYYHYDAASA-N 0 0 342.523 6.637 40 30 EKEBRN CCCCCCCCCCCCCCCCOC(=O)c1ccncc1 ZINC000100502523 563992670 /nfs/dbraw/zinc/99/26/70/563992670.db2.gz STUBJXFCGLTLMA-UHFFFAOYSA-N 0 0 347.543 6.720 40 30 EKEBRN O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3cccc4ccccc43)o2)cc1 ZINC000100507498 219101574 /nfs/dbraw/zinc/10/15/74/219101574.db2.gz FRPJYXDTYRRNMG-HYARGMPZSA-N 0 0 342.354 5.759 40 30 EKEBRN Oc1ccc2ccccc2c1[C@@H](/N=C\c1ccccc1)c1ccccc1 ZINC000100520875 219101499 /nfs/dbraw/zinc/10/14/99/219101499.db2.gz IBKFPODMQLEYRC-FDJRJZQMSA-N 0 0 337.422 5.754 40 30 EKEBRN Oc1ccc2ccccc2c1[C@H](/N=C\c1ccccc1)c1ccccc1 ZINC000100520877 219101275 /nfs/dbraw/zinc/10/12/75/219101275.db2.gz IBKFPODMQLEYRC-KRFWEUHSSA-N 0 0 337.422 5.754 40 30 EKEBRN COc1ccccc1/C=N/c1ccc(/N=C/c2ccccc2OC)cc1 ZINC000100537406 219100984 /nfs/dbraw/zinc/10/09/84/219100984.db2.gz TYISIADVNXXHSY-DFEHQXHXSA-N 0 0 344.414 5.205 40 30 EKEBRN CCCCCCCCc1nnc(NC(=O)Nc2cccc(C)c2)s1 ZINC000100538978 219101349 /nfs/dbraw/zinc/10/13/49/219101349.db2.gz BVZORRJJGHBYTQ-UHFFFAOYSA-N 0 0 346.500 5.394 40 30 EKEBRN COc1ccc(/N=C/C=C2/C=C(c3ccccc3)OC(C)(C)O2)cc1 ZINC000100548247 219101013 /nfs/dbraw/zinc/10/10/13/219101013.db2.gz MCYGTULKYCNEEG-JWZHWXDPSA-N 0 0 335.403 5.105 40 30 EKEBRN CC(=O)c1ccc(N=Cc2cc(C)n(-c3ccc(C)cc3)c2C)cc1 ZINC000100563074 563982664 /nfs/dbraw/zinc/98/26/64/563982664.db2.gz YXZYTBXYZJFHED-UCQKPKSFSA-N 0 0 330.431 5.356 40 30 EKEBRN CCCCCCCc1ccc(C(=O)c2cnc3ccccc3c2)cc1 ZINC000100594252 520070347 /nfs/dbraw/zinc/07/03/47/520070347.db2.gz MSRUPHHGPYDOED-UHFFFAOYSA-N 0 0 331.459 5.979 40 30 EKEBRN CCCCCCCOc1ccc(C(=O)c2cnc3ccccc3c2)cc1 ZINC000100594262 563976430 /nfs/dbraw/zinc/97/64/30/563976430.db2.gz JOOWEJVIWMKXOQ-UHFFFAOYSA-N 0 0 347.458 5.815 40 30 EKEBRN O=C(C=CNc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 ZINC000100661709 219104355 /nfs/dbraw/zinc/10/43/55/219104355.db2.gz OIZOBMIMMKEGFC-PFONDFGASA-N 0 0 333.818 5.816 40 30 EKEBRN O=C(C=CNc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000100662083 219104503 /nfs/dbraw/zinc/10/45/03/219104503.db2.gz CVEFMJFNNJHMIX-FPLPWBNLSA-N 0 0 326.610 5.455 40 30 EKEBRN O=C(C=CNc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000100662102 219104584 /nfs/dbraw/zinc/10/45/84/219104584.db2.gz PVEUNPJUYVWEFX-KTKRTIGZSA-N 0 0 325.717 5.167 40 30 EKEBRN CCCCCCCCCC[C@@H](C(=O)c1ccccc1)N1CCOCC1 ZINC000100693561 563982700 /nfs/dbraw/zinc/98/27/00/563982700.db2.gz RXYANZFODBXODW-NRFANRHFSA-N 0 0 345.527 5.101 40 30 EKEBRN CCCCCCCCCC[C@H](C(=O)c1ccccc1)N1CCOCC1 ZINC000100693565 563982706 /nfs/dbraw/zinc/98/27/06/563982706.db2.gz RXYANZFODBXODW-OAQYLSRUSA-N 0 0 345.527 5.101 40 30 EKEBRN CCCCCCCCCCCC(=O)Nc1ccc(N(CC)CC)cc1 ZINC000100722811 219105236 /nfs/dbraw/zinc/10/52/36/219105236.db2.gz KCUSVGAHNQSYDY-UHFFFAOYSA-N 0 0 346.559 6.392 40 30 EKEBRN CC(=O)c1cccc(N=CC=C2C=C(c3ccccc3)OC(C)(C)O2)c1 ZINC000100734128 219105244 /nfs/dbraw/zinc/10/52/44/219105244.db2.gz JXYGEADZRMSNEQ-WUPJPBJUSA-N 0 0 347.414 5.299 40 30 EKEBRN CC(=O)c1ccc(N=CC=C2C=C(c3ccccc3)OC(C)(C)O2)cc1 ZINC000100743020 206254333 /nfs/dbraw/zinc/25/43/33/206254333.db2.gz VCJDIAWNVFLILL-OIGTWYQWSA-N 0 0 347.414 5.299 40 30 EKEBRN CCCCCCCCCCCC(=O)c1sccc1Br ZINC000100764353 519986249 /nfs/dbraw/zinc/98/62/49/519986249.db2.gz FTRJWVKWSBCKSP-UHFFFAOYSA-N 0 0 345.346 6.614 40 30 EKEBRN CCCCCCCCOC(OCCCCCCCC)c1ccccc1 ZINC000100789375 563982756 /nfs/dbraw/zinc/98/27/56/563982756.db2.gz NOWFJWRCLOGUBQ-UHFFFAOYSA-N 0 0 348.571 7.439 40 30 EKEBRN C=CCn1c(-c2ccccc2)cs/c1=N\c1ccccc1Cl ZINC000100840999 219108937 /nfs/dbraw/zinc/10/89/37/219108937.db2.gz ZYTGZTFHIIKMAW-ZZEZOPTASA-N 0 0 326.852 5.288 40 30 EKEBRN CC1=Nc2ccccc2C1N=Nc1cc(C(F)(F)F)ccc1Cl ZINC000100845045 219108951 /nfs/dbraw/zinc/10/89/51/219108951.db2.gz RXQBUGWFCGJHRN-HAHDFKILSA-N 0 0 337.732 5.281 40 30 EKEBRN CCCCCCC[C@H]1C(=O)C[C@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000100870697 219110072 /nfs/dbraw/zinc/11/00/72/219110072.db2.gz XGOHLQCHAGLKHP-WMTXJRDZSA-N 0 0 349.518 6.008 40 30 EKEBRN CCCCCCCC[C@@H](c1ccc2cccnc2c1[O-])[NH+](CC)CC ZINC000100921759 204000034 /nfs/dbraw/zinc/00/00/34/204000034.db2.gz YPTOUOXVXBPDPR-FQEVSTJZSA-N 0 0 342.527 6.074 40 30 EKEBRN CCCCCCCC[C@H](c1ccc2cccnc2c1[O-])[NH+](CC)CC ZINC000100921761 219112095 /nfs/dbraw/zinc/11/20/95/219112095.db2.gz YPTOUOXVXBPDPR-HXUWFJFHSA-N 0 0 342.527 6.074 40 30 EKEBRN CCCCCCCCCCCCCC(=O)c1cc(OCC)ccc1O ZINC000100922035 563982796 /nfs/dbraw/zinc/98/27/96/563982796.db2.gz DEBAYXVLXMPWAD-UHFFFAOYSA-N 0 0 348.527 6.675 40 30 EKEBRN CCCCCCCCCCCC(=O)c1cc(OCCCC)ccc1O ZINC000100922050 219112166 /nfs/dbraw/zinc/11/21/66/219112166.db2.gz BNDCGFXWRZESPF-UHFFFAOYSA-N 0 0 348.527 6.675 40 30 EKEBRN CCCCCCCCCCOc1ccc(O)c(C(=O)CCCCC)c1 ZINC000100922052 563982807 /nfs/dbraw/zinc/98/28/07/563982807.db2.gz QOVRTCOOQJKUPN-UHFFFAOYSA-N 0 0 348.527 6.675 40 30 EKEBRN CCCCCCCCCCCCS(=O)(=O)Nc1ccccc1O ZINC000100922116 563982797 /nfs/dbraw/zinc/98/27/97/563982797.db2.gz AOERYILZWHVJIQ-UHFFFAOYSA-N 0 0 341.517 5.055 40 30 EKEBRN CCCCCCCCCCCCS(=O)(=O)Nc1ccc(O)cc1 ZINC000100922118 563982806 /nfs/dbraw/zinc/98/28/06/563982806.db2.gz TUVHIIKEXZRZGW-UHFFFAOYSA-N 0 0 341.517 5.055 40 30 EKEBRN CCCCCCCCCCCCS(=O)(=O)Nc1cccc(O)c1 ZINC000100922120 563982811 /nfs/dbraw/zinc/98/28/11/563982811.db2.gz BADRFYXPMFPHPN-UHFFFAOYSA-N 0 0 341.517 5.055 40 30 EKEBRN Cc1cc(/N=C/c2cccc(Cl)c2Cl)n(-c2cccc(C)c2)n1 ZINC000100922466 206263211 /nfs/dbraw/zinc/26/32/11/206263211.db2.gz FPOWBFUAUINXIV-SRZZPIQSSA-N 0 0 344.245 5.547 40 30 EKEBRN CCCCCCCCCCC/C(=N\O)c1ccc(OC)cc1OC ZINC000100923397 563982801 /nfs/dbraw/zinc/98/28/01/563982801.db2.gz UNVUERRJNIDPEW-XUTLUUPISA-N 0 0 335.488 5.803 40 30 EKEBRN CCCCCCC/C(=N\O)c1cc(C)cc(Br)c1O ZINC000100923522 563982813 /nfs/dbraw/zinc/98/28/13/563982813.db2.gz GBMODYPHRCZEPK-SAPNQHFASA-N 0 0 328.250 5.002 40 30 EKEBRN CCCCCCCCCCCCCC(=O)OCCSCCCC ZINC000100923904 204000228 /nfs/dbraw/zinc/00/02/28/204000228.db2.gz MGVFKVNREKTWAO-UHFFFAOYSA-N 0 0 344.605 6.764 40 30 EKEBRN C(=N/c1cccn2cc(-c3ccccc3)nc12)\c1cccc2ccccc12 ZINC000100924049 203999461 /nfs/dbraw/zinc/99/94/61/203999461.db2.gz HRBZUYBBZCVJRU-PCLIKHOPSA-N 0 0 347.421 5.905 40 30 EKEBRN CCCCCCCCCCCCCCN(CCO)C(=O)OCC ZINC000100924185 219111575 /nfs/dbraw/zinc/11/15/75/219111575.db2.gz TVUHJUIZGKVUOW-UHFFFAOYSA-N 0 0 329.525 5.138 40 30 EKEBRN CCCCCCCCCCCCCCCC(=O)N(CC#N)CC#N ZINC000100925335 219111914 /nfs/dbraw/zinc/11/19/14/219111914.db2.gz KTFNYRCISAFJPO-UHFFFAOYSA-N 0 0 333.520 5.343 40 30 EKEBRN CCCCCCCCN(CCCCCCCC)C(=O)c1ccccn1 ZINC000100925698 219111622 /nfs/dbraw/zinc/11/16/22/219111622.db2.gz QVDBZTQHPGRVOD-UHFFFAOYSA-N 0 0 346.559 6.245 40 30 EKEBRN CCCCCCCCCCCCOc1ccc(/C(C)=N/O)c(O)c1 ZINC000100925747 563982809 /nfs/dbraw/zinc/98/28/09/563982809.db2.gz WAUSDVTUNYNASN-HEHNFIMWSA-N 0 0 335.488 5.890 40 30 EKEBRN CCCCCCCCCC(=O)c1cc(CCCCCC)c(O)cc1O ZINC000100925767 219112150 /nfs/dbraw/zinc/11/21/50/219112150.db2.gz VWPWRLLFFIQONK-UHFFFAOYSA-N 0 0 348.527 6.544 40 30 EKEBRN CCCCCCCCC(=O)c1ccc(OCCCCCC)cc1O ZINC000100925780 219111932 /nfs/dbraw/zinc/11/19/32/219111932.db2.gz SWFPDHAWUXBYOO-UHFFFAOYSA-N 0 0 334.500 6.285 40 30 EKEBRN CCCCCCCC(=O)c1ccc(OCc2ccccc2)cc1O ZINC000100925784 219111881 /nfs/dbraw/zinc/11/18/81/219111881.db2.gz CLJKODRSYZQUCF-UHFFFAOYSA-N 0 0 326.436 5.514 40 30 EKEBRN CCCCCCCCCCCCOc1ccc(C(=O)OC)c(O)c1 ZINC000100926012 563982794 /nfs/dbraw/zinc/98/27/94/563982794.db2.gz GLQKRDVFGPWHCW-UHFFFAOYSA-N 0 0 336.472 5.479 40 30 EKEBRN CCCCCCCCCCCC(=O)c1cc(C(C)(C)C)ccc1O ZINC000100926097 563982800 /nfs/dbraw/zinc/98/28/00/563982800.db2.gz JSVANXLJJGDFCF-UHFFFAOYSA-N 0 0 332.528 6.793 40 30 EKEBRN CCCCCCCCOc1cc(O)c(C(C)=O)cc1Br ZINC000100927950 563982828 /nfs/dbraw/zinc/98/28/28/563982828.db2.gz LMGLVWGWMAPMRT-UHFFFAOYSA-N 0 0 343.261 5.097 40 30 EKEBRN CCCCCCC/C(=N\O)c1ccc(OCc2ccccc2)cc1O ZINC000100930231 219111665 /nfs/dbraw/zinc/11/16/65/219111665.db2.gz JFGLZRGAUDHWIW-LSDHQDQOSA-N 0 0 341.451 5.510 40 30 EKEBRN CCCCCCCC/C(=N\O)c1ccc(OCCCCCC)cc1O ZINC000100930239 219111552 /nfs/dbraw/zinc/11/15/52/219111552.db2.gz HMTDDFYTRKMQJU-LSDHQDQOSA-N 0 0 349.515 6.280 40 30 EKEBRN CCCCCCCCCCCCOc1ccc(/C(CC)=N/O)c(O)c1 ZINC000100930243 563982822 /nfs/dbraw/zinc/98/28/22/563982822.db2.gz ZQMDDODZWFEAQA-LSDHQDQOSA-N 0 0 349.515 6.280 40 30 EKEBRN CCCCCCCCCCC/C(=N\O)c1cc(OCC)ccc1O ZINC000100930275 563982818 /nfs/dbraw/zinc/98/28/18/563982818.db2.gz USTMBEBTNUTGPJ-XUTLUUPISA-N 0 0 335.488 5.890 40 30 EKEBRN CCCCCCCCCCCCC/C(=N\O)c1ccc(OC)cc1O ZINC000100930277 563982815 /nfs/dbraw/zinc/98/28/15/563982815.db2.gz CNJZQQPRVAVQDU-LSDHQDQOSA-N 0 0 349.515 6.280 40 30 EKEBRN CCCCCCCCCCCCCC(=O)N(CCC#N)CCC#N ZINC000100931349 219111689 /nfs/dbraw/zinc/11/16/89/219111689.db2.gz PVBQBYXVPDSBLG-UHFFFAOYSA-N 0 0 333.520 5.343 40 30 EKEBRN CCCCCCCCCCSC(=S)N(CCC#N)CCC#N ZINC000100931352 219111774 /nfs/dbraw/zinc/11/17/74/219111774.db2.gz JUEAAENJVKUWOQ-UHFFFAOYSA-N 0 0 339.574 5.275 40 30 EKEBRN CCCCCCCCCCCCC(=N\O)/C(=N/O)c1ccccc1 ZINC000100932731 563982867 /nfs/dbraw/zinc/98/28/67/563982867.db2.gz CXOBPNQNOVHSGX-FLFKKZLDSA-N 0 0 332.488 6.006 40 30 EKEBRN CN1c2c(ccc3ccccc23)S/C1=C/C=C/C=N/c1ccccc1 ZINC000100933003 204000260 /nfs/dbraw/zinc/00/02/60/204000260.db2.gz XQWGKVSGINWSRC-KZUSBMALSA-N 0 0 342.467 6.182 40 30 EKEBRN CCCCCCCCCCCCS[C@@H]1CCCCCC/C1=N\O ZINC000100933145 520013890 /nfs/dbraw/zinc/01/38/90/520013890.db2.gz APXUOWHFSFALLF-YDJIHCHBSA-N 0 0 341.605 7.194 40 30 EKEBRN CCCCCCCCCCCCS[C@H]1CCCCCC/C1=N\O ZINC000100933146 520013972 /nfs/dbraw/zinc/01/39/72/520013972.db2.gz APXUOWHFSFALLF-NHFXJNLRSA-N 0 0 341.605 7.194 40 30 EKEBRN CCCCCCCCCCCC(=O)c1ccc(OCCCC)cc1O ZINC000100933915 519985733 /nfs/dbraw/zinc/98/57/33/519985733.db2.gz UMKFTSKEDXDPFM-UHFFFAOYSA-N 0 0 348.527 6.675 40 30 EKEBRN CCCCCCCCCCCCOc1ccccc1-c1nnco1 ZINC000100933991 563982838 /nfs/dbraw/zinc/98/28/38/563982838.db2.gz KKXZWZAEYNTTCW-UHFFFAOYSA-N 0 0 330.472 6.036 40 30 EKEBRN CCCCCCCCCCCCCCCC(=O)c1cc(C)ccc1O ZINC000100934554 563982856 /nfs/dbraw/zinc/98/28/56/563982856.db2.gz XPYXVKSJEDVRGC-UHFFFAOYSA-N 0 0 346.555 7.365 40 30 EKEBRN CCCCCCCCCCCCSCC(=O)NCc1ccccc1 ZINC000100934622 563982842 /nfs/dbraw/zinc/98/28/42/563982842.db2.gz DOWZOXJPLIRNIV-UHFFFAOYSA-N 0 0 349.584 5.957 40 30 EKEBRN CCCCCCCCCCCCCCSCC(=O)NCCCC ZINC000100934662 203999640 /nfs/dbraw/zinc/99/96/40/203999640.db2.gz YFZQWYLKRDGRAU-UHFFFAOYSA-N 0 0 343.621 6.337 40 30 EKEBRN CCCCCCCCCCCC(=O)c1ccc(O)c2ncccc12 ZINC000100935818 563982852 /nfs/dbraw/zinc/98/28/52/563982852.db2.gz DLRMYCHUKSYCLN-UHFFFAOYSA-N 0 0 327.468 6.044 40 30 EKEBRN CCCCCCCCCCCC(=O)c1ccc2cccnc2c1O ZINC000100935824 563982834 /nfs/dbraw/zinc/98/28/34/563982834.db2.gz DIYUKFALQUOEES-UHFFFAOYSA-N 0 0 327.468 6.044 40 30 EKEBRN CCCCCCCCCCCC(=O)c1ccc2ccc(C)nc2c1O ZINC000100935826 563982854 /nfs/dbraw/zinc/98/28/54/563982854.db2.gz VXWVCNGEOMSYLB-UHFFFAOYSA-N 0 0 341.495 6.352 40 30 EKEBRN CCCCCCCCCCC(=O)c1ccc2ccc(C)nc2c1O ZINC000100935828 563982850 /nfs/dbraw/zinc/98/28/50/563982850.db2.gz KTGKHRSYLCUUEY-UHFFFAOYSA-N 0 0 327.468 5.962 40 30 EKEBRN CCCCCCCCCCCC(=O)c1ccc(O)c2nc(C)ccc12 ZINC000100935839 563982865 /nfs/dbraw/zinc/98/28/65/563982865.db2.gz YPWWDWJXHBSPKE-UHFFFAOYSA-N 0 0 341.495 6.352 40 30 EKEBRN CCCCCCCCCCCCc1ccc(O)c2nc(C)ccc12 ZINC000100935865 563982848 /nfs/dbraw/zinc/98/28/48/563982848.db2.gz KIIMXJUNPIOAIA-UHFFFAOYSA-N 0 0 327.512 6.712 40 30 EKEBRN CCCCCCCCCCCCc1ccc2ccc(C)nc2c1O ZINC000100935867 563982857 /nfs/dbraw/zinc/98/28/57/563982857.db2.gz BHWWGVDLAQGFOR-UHFFFAOYSA-N 0 0 327.512 6.712 40 30 EKEBRN CCCCCCCCCCSCc1ccc(O)c2ncccc12 ZINC000100935869 563982861 /nfs/dbraw/zinc/98/28/61/563982861.db2.gz UZIREWZRCKSMDQ-UHFFFAOYSA-N 0 0 331.525 6.314 40 30 EKEBRN CCCCCCCCC/C(=N\O)c1ccc2ccc(C)nc2c1O ZINC000100935877 563982843 /nfs/dbraw/zinc/98/28/43/563982843.db2.gz WRJPQZUOKIDKPA-RELWKKBWSA-N 0 0 328.456 5.568 40 30 EKEBRN CCCCCCCCCCC/C(=N\O)c1ccc2cccnc2c1O ZINC000100935878 563982839 /nfs/dbraw/zinc/98/28/39/563982839.db2.gz CZTKYFOZBDZFGO-FCDQGJHFSA-N 0 0 342.483 6.040 40 30 EKEBRN CCCCCCCCCCS(=O)(=O)[C@@H]1CCCCCC/C1=N\O ZINC000100948612 563982883 /nfs/dbraw/zinc/98/28/83/563982883.db2.gz WUZBPVSKZYLMRR-SELCWUDQSA-N 0 0 345.549 5.095 40 30 EKEBRN CCCCCCCCCCS(=O)(=O)[C@H]1CCCCCC/C1=N\O ZINC000100948615 520023503 /nfs/dbraw/zinc/02/35/03/520023503.db2.gz WUZBPVSKZYLMRR-GHNGSUTGSA-N 0 0 345.549 5.095 40 30 EKEBRN CCCCCCCCCCNC(=S)Nc1cc(Cl)ccc1O ZINC000100950734 563982879 /nfs/dbraw/zinc/98/28/79/563982879.db2.gz UYWBOCPUIGJQAQ-UHFFFAOYSA-N 0 0 342.936 5.473 40 30 EKEBRN CCCCCCCCCCC/C(=N\O)c1c(O)ccc2ccccc21 ZINC000100950820 563982874 /nfs/dbraw/zinc/98/28/74/563982874.db2.gz NBRUIVJTGDOWCS-BSYVCWPDSA-N 0 0 341.495 6.645 40 30 EKEBRN CCCCCCCCCCCCOc1ccc(-c2nnco2)c(O)c1 ZINC000100959474 563982870 /nfs/dbraw/zinc/98/28/70/563982870.db2.gz SGKFIPXLLMOBLF-UHFFFAOYSA-N 0 0 346.471 5.742 40 30 EKEBRN CCCCCCCCCCCCCC[C@@H](/C=N\O)N1CCOCC1 ZINC000100964945 563982877 /nfs/dbraw/zinc/98/28/77/563982877.db2.gz HVVJEGKAZQEEMH-LCPUNJGISA-N 0 0 340.552 5.238 40 30 EKEBRN CCCCCCCCCCCCCC[C@H](/C=N\O)N1CCOCC1 ZINC000100964948 563982872 /nfs/dbraw/zinc/98/28/72/563982872.db2.gz HVVJEGKAZQEEMH-GOBJLOIFSA-N 0 0 340.552 5.238 40 30 EKEBRN CCCCCCCc1ccc(C(=O)NCCC2=CCCCC2)cc1 ZINC000100969432 563982889 /nfs/dbraw/zinc/98/28/89/563982889.db2.gz WZEHPJSBJWNLSX-UHFFFAOYSA-N 0 0 327.512 5.820 40 30 EKEBRN O=C(C=CNc1cccc(Cl)c1)c1ccc(-c2ccccc2)cc1 ZINC000100974989 219112634 /nfs/dbraw/zinc/11/26/34/219112634.db2.gz RRCNGJUMUBUKKK-YPKPFQOOSA-N 0 0 333.818 5.816 40 30 EKEBRN CCCCCCCCSCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000100977422 520046158 /nfs/dbraw/zinc/04/61/58/520046158.db2.gz NVZOFUFXAIUHEX-UHFFFAOYSA-N 0 0 348.339 6.026 40 30 EKEBRN CCCCCCCSCCSc1ccc(C#N)cc1[N+](=O)[O-] ZINC000100977429 520066954 /nfs/dbraw/zinc/06/69/54/520066954.db2.gz SGMJZRSOQYSKTB-UHFFFAOYSA-N 0 0 338.498 5.262 40 30 EKEBRN CCCCCCCCCC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C ZINC000100978786 563982888 /nfs/dbraw/zinc/98/28/88/563982888.db2.gz TWSSQDJSWZOXNN-UHFFFAOYSA-N 0 0 340.851 5.636 40 30 EKEBRN CCCCCCCCCCCCNC(=S)NNc1ccccc1 ZINC000100980421 563982890 /nfs/dbraw/zinc/98/28/90/563982890.db2.gz CDPIFSUVPXQPRP-UHFFFAOYSA-N 0 0 335.561 5.399 40 30 EKEBRN CCCCCCCc1n(O)c2c(c3ccccc3c3ccccc23)[n+]1[O-] ZINC000100981378 219113043 /nfs/dbraw/zinc/11/30/43/219113043.db2.gz QIAGTRPTBGVKFZ-UHFFFAOYSA-N 0 0 348.446 5.331 40 30 EKEBRN CCCCCCCc1ccc(C(=O)Nc2cc(F)ccc2C)cc1 ZINC000100984486 563982893 /nfs/dbraw/zinc/98/28/93/563982893.db2.gz FLJUOSCZWISIQX-UHFFFAOYSA-N 0 0 327.443 5.899 40 30 EKEBRN CCCCCCCc1ccc(C(=O)NCc2ccc(F)cc2)cc1 ZINC000100984509 219112823 /nfs/dbraw/zinc/11/28/23/219112823.db2.gz SSWLCZJSQZHENG-UHFFFAOYSA-N 0 0 327.443 5.269 40 30 EKEBRN CCCCCCCc1ccc(C(=O)NCc2ccc(OC)cc2)cc1 ZINC000100984511 563982892 /nfs/dbraw/zinc/98/28/92/563982892.db2.gz OQGWQARZWCACGS-UHFFFAOYSA-N 0 0 339.479 5.138 40 30 EKEBRN CCCCCCCCCCCCNC(=S)N(C)Cc1ccccc1 ZINC000100984879 520010573 /nfs/dbraw/zinc/01/05/73/520010573.db2.gz ZCMRRSDXPHFUBX-UHFFFAOYSA-N 0 0 348.600 5.914 40 30 EKEBRN CCCCCCCC(=O)Nc1ccccc1Sc1ccccc1 ZINC000100985376 519966605 /nfs/dbraw/zinc/96/66/05/519966605.db2.gz OUPKBGSSNDLRIQ-UHFFFAOYSA-N 0 0 327.493 6.137 40 30 EKEBRN CCCCCCCCOc1ccc(/N=C/c2ccc(O)cc2)cc1 ZINC000101004821 219113784 /nfs/dbraw/zinc/11/37/84/219113784.db2.gz CDDDUNMGHXGJLW-OQKWZONESA-N 0 0 325.452 5.882 40 30 EKEBRN CCCCCCCCCCCc1nc2ccccc2n1CCCCC ZINC000101099701 219116106 /nfs/dbraw/zinc/11/61/06/219116106.db2.gz RALHIDUIGJVBIN-UHFFFAOYSA-N 0 0 342.571 7.300 40 30 EKEBRN C=C[C@@]1(C)CC[C@@H]2[C@@H](O1)c1ccccc1O[C@@]2(C)CCC=C(C)C ZINC000101105824 219115947 /nfs/dbraw/zinc/11/59/47/219115947.db2.gz LXELBISQABCQRG-GBAJDQEWSA-N 0 0 326.480 5.997 40 30 EKEBRN C=C[C@]1(C)CC[C@H]2[C@@H](O1)c1ccccc1O[C@@]2(C)CCC=C(C)C ZINC000101105831 219116025 /nfs/dbraw/zinc/11/60/25/219116025.db2.gz LXELBISQABCQRG-UVUJQTEASA-N 0 0 326.480 5.997 40 30 EKEBRN O=C(Nc1cccc(Cl)c1)C1=C(Nc2cccc(Cl)c2)CCC1 ZINC000101196899 219118602 /nfs/dbraw/zinc/11/86/02/219118602.db2.gz AGXFOJPZNKUIGM-HGSNWSKYSA-N 0 0 347.245 5.505 40 30 EKEBRN N#Cc1c2c(sc1/N=C\c1cccc(Br)c1)CCCC2 ZINC000101206569 219118781 /nfs/dbraw/zinc/11/87/81/219118781.db2.gz UEMKXMIZTLGMCW-GRSHGNNSSA-N 0 0 345.265 5.012 40 30 EKEBRN N#Cc1c2c(sc1/N=C\c1c(Cl)cccc1Cl)CCCC2 ZINC000101206577 219118575 /nfs/dbraw/zinc/11/85/75/219118575.db2.gz OHBRFMPVTIBIJY-UKWGHVSLSA-N 0 0 335.259 5.556 40 30 EKEBRN N#Cc1c2c(sc1/N=C\c1c(O)ccc3ccccc31)CCCC2 ZINC000101206619 204001686 /nfs/dbraw/zinc/00/16/86/204001686.db2.gz PGNHOGXLZUATQT-UUYOSTAYSA-N 0 0 332.428 5.108 40 30 EKEBRN COc1c(Cl)cc(Cl)cc1/C=N\c1sc(C)c(C)c1C#N ZINC000101206702 206287106 /nfs/dbraw/zinc/28/71/06/206287106.db2.gz AQCYDHJHQGRGQX-GXHLCREISA-N 0 0 339.247 5.303 40 30 EKEBRN Cc1ccc2nc(-c3ccc(/N=C\c4cccs4)cc3)sc2c1 ZINC000101206838 219118748 /nfs/dbraw/zinc/11/87/48/219118748.db2.gz SBVBFJXAIORWIK-NDENLUEZSA-N 0 0 334.469 6.084 40 30 EKEBRN Cc1cc(C)cc(/N=C\c2ccc(/C=N\c3cc(C)cc(C)c3)cc2)c1 ZINC000101376529 564013049 /nfs/dbraw/zinc/01/30/49/564013049.db2.gz VVEYLYLOEXZSFK-YXHOTNNGSA-N 0 0 340.470 6.421 40 30 EKEBRN Cc1cc(C)cc(/N=C/c2ccc(/C=N\c3cc(C)cc(C)c3)cc2)c1 ZINC000101376530 219125232 /nfs/dbraw/zinc/12/52/32/219125232.db2.gz VVEYLYLOEXZSFK-WFOJNGAISA-N 0 0 340.470 6.421 40 30 EKEBRN COc1ccccc1/N=C\c1ccc(/C=N\c2ccccc2OC)cc1 ZINC000101376878 563983026 /nfs/dbraw/zinc/98/30/26/563983026.db2.gz OEGWMDQYYLHJLF-MPKYGIEOSA-N 0 0 344.414 5.205 40 30 EKEBRN COc1ccccc1/N=C/c1ccc(/C=N\c2ccccc2OC)cc1 ZINC000101376879 563983030 /nfs/dbraw/zinc/98/30/30/563983030.db2.gz OEGWMDQYYLHJLF-REPVBDINSA-N 0 0 344.414 5.205 40 30 EKEBRN CCCCCCCCCCCn1c2ccccc2nc1CCCCC ZINC000101433867 204007264 /nfs/dbraw/zinc/00/72/64/204007264.db2.gz FKGNPYHKXSQLOV-UHFFFAOYSA-N 0 0 342.571 7.300 40 30 EKEBRN CCCCCCCCCCc1nc2ccccc2n1CCC(C)C ZINC000101433877 219127681 /nfs/dbraw/zinc/12/76/81/219127681.db2.gz PVFNPDPHPGNYGX-UHFFFAOYSA-N 0 0 328.544 6.766 40 30 EKEBRN CCCCCCCCCCc1nc2ccccc2n1CCCCCC ZINC000101433887 204007298 /nfs/dbraw/zinc/00/72/98/204007298.db2.gz YNDQSSJRSFAKIS-UHFFFAOYSA-N 0 0 342.571 7.300 40 30 EKEBRN CCCCCCCCCCNC(=O)NCCCCCCCCCC ZINC000101464262 219128149 /nfs/dbraw/zinc/12/81/49/219128149.db2.gz PVJCTMOYESWMEF-UHFFFAOYSA-N 0 0 340.596 6.567 40 30 EKEBRN C/C(=N\c1ccc(C)cc1)N(C(=O)c1ccccc1)c1ccc(C)cc1 ZINC000101547995 219133596 /nfs/dbraw/zinc/13/35/96/219133596.db2.gz HPTXNYJPSGRRBK-LYBHJNIJSA-N 0 0 342.442 5.700 40 30 EKEBRN CC(=O)N(/C(=N/c1ccc(C)cc1)c1ccccc1)c1ccc(C)cc1 ZINC000101548292 219134481 /nfs/dbraw/zinc/13/44/81/219134481.db2.gz IEJPWSWEYCOEJK-WCWDXBQESA-N 0 0 342.442 5.435 40 30 EKEBRN Cc1n[nH]c(C)c1/N=C/c1ccccc1OCc1ccccc1Cl ZINC000101549819 526483167 /nfs/dbraw/zinc/48/31/67/526483167.db2.gz NBFBUBXTGQPXJQ-SRZZPIQSSA-N 0 0 339.826 5.010 40 30 EKEBRN C/C(=N\c1sc2c(c1C#N)CCCC2)c1ccc(Cl)c(Cl)c1 ZINC000101560324 219136953 /nfs/dbraw/zinc/13/69/53/219136953.db2.gz NDWJXICPSHCCQY-UFFVCSGVSA-N 0 0 349.286 5.946 40 30 EKEBRN C/C(=C\CC/C(C)=N/O)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@@]21C ZINC000101561138 219137489 /nfs/dbraw/zinc/13/74/89/219137489.db2.gz SUIVXLJKUVOXKD-ZJJJOLQCSA-N 0 0 345.571 7.142 40 30 EKEBRN CCOc1cc(/C=N/c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000101602472 564066274 /nfs/dbraw/zinc/06/62/74/564066274.db2.gz KFQMQJDFYQQFED-BUVRLJJBSA-N 0 0 349.405 5.554 40 30 EKEBRN Cc1c(/C=N/c2ccccc2)c2ccccn2c1/C=N/c1ccccc1 ZINC000101631635 219148244 /nfs/dbraw/zinc/14/82/44/219148244.db2.gz XOZNNGQSTHWRHN-MUPYBJATSA-N 0 0 337.426 5.749 40 30 EKEBRN N#Cc1c2c(sc1/N=C/c1ccccc1Br)CCCC2 ZINC000101655534 204015660 /nfs/dbraw/zinc/01/56/60/204015660.db2.gz LPTJXAHLXGYTTM-VXLYETTFSA-N 0 0 345.265 5.012 40 30 EKEBRN O=[N+]([O-])c1ccc(/C=N/c2c3ccccc3nc3ccccc32)cc1 ZINC000101670299 219154126 /nfs/dbraw/zinc/15/41/26/219154126.db2.gz HIACURRTYPFQID-FYJGNVAPSA-N 0 0 327.343 5.047 40 30 EKEBRN CCCCCCCCCCCC[C@H](O)CCCCCCCCC ZINC000101673585 206322701 /nfs/dbraw/zinc/32/27/01/206322701.db2.gz CXVXDJZIVPZPSN-JOCHJYFZSA-N 0 0 326.609 7.799 40 30 EKEBRN CCCCCCCCCCCC[C@@H](O)CCCCCCCCC ZINC000101673588 219154993 /nfs/dbraw/zinc/15/49/93/219154993.db2.gz CXVXDJZIVPZPSN-QFIPXVFZSA-N 0 0 326.609 7.799 40 30 EKEBRN Cc1cc(C)c(NC=CC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1 ZINC000101673749 564077139 /nfs/dbraw/zinc/07/71/39/564077139.db2.gz JQHKNASHAIEDRD-BUHFOSPRSA-N 0 0 341.454 6.087 40 30 EKEBRN CCCCCCCCCCCCC(=O)CCCC(=O)N(CC)CC ZINC000101674656 219154681 /nfs/dbraw/zinc/15/46/81/219154681.db2.gz NKEPTJSKGOGPGS-UHFFFAOYSA-N 0 0 339.564 5.905 40 30 EKEBRN COc1ccc(/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 ZINC000101697262 219157001 /nfs/dbraw/zinc/15/70/01/219157001.db2.gz LMONJZBWBMMZPU-UCQKPKSFSA-N 0 0 332.447 5.470 40 30 EKEBRN Cc1cc(Br)ccc1/N=C\c1ccc(N2CCCC2)cc1 ZINC000101749923 219160851 /nfs/dbraw/zinc/16/08/51/219160851.db2.gz CZRBLKNOIOKBDK-MOSHPQCFSA-N 0 0 343.268 5.108 40 30 EKEBRN Cc1cc(/C=N\c2ccc(Cl)cc2O)c(C)n1-c1cccc(C)c1 ZINC000101768215 206328150 /nfs/dbraw/zinc/32/81/50/206328150.db2.gz AQOLMURNAIUBOO-UUYOSTAYSA-N 0 0 338.838 5.512 40 30 EKEBRN COc1ccc(Cl)cc1/N=C\c1ccc(N2CCCCC2)cc1 ZINC000101768499 219163265 /nfs/dbraw/zinc/16/32/65/219163265.db2.gz DBTHGUPVWYKBHG-STZFKDTASA-N 0 0 328.843 5.090 40 30 EKEBRN CS/C(=N/C#N)Sc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000101967090 219177083 /nfs/dbraw/zinc/17/70/83/219177083.db2.gz UXHTZTGIJHGHCM-SDXDJHTJSA-N 0 0 334.853 5.424 40 30 EKEBRN CC(=O)Nc1ccc2c(c1)/C(=N\c1cccc(C)c1)c1ccccc1-2 ZINC000102801909 563983270 /nfs/dbraw/zinc/98/32/70/563983270.db2.gz CKMSWANDVYFCMW-GYHWCHFESA-N 0 0 326.399 5.103 40 30 EKEBRN CC(=O)Nc1ccc2c(c1)/C(=N\c1ccc(C)cc1)c1ccccc1-2 ZINC000102914391 219240770 /nfs/dbraw/zinc/24/07/70/219240770.db2.gz VKKKAOFQQMTMJT-GYHWCHFESA-N 0 0 326.399 5.103 40 30 EKEBRN COc1cc2c(cc1/N=C/c1ccc(F)c(F)c1)oc1ccccc12 ZINC000102934068 219242860 /nfs/dbraw/zinc/24/28/60/219242860.db2.gz YAVWXABEKAINNV-FOKLQQMPSA-N 0 0 337.325 5.623 40 30 EKEBRN CCOc1ccccc1/N=C\c1c2ccccc2cc2ccccc21 ZINC000102948138 204056842 /nfs/dbraw/zinc/05/68/42/204056842.db2.gz ZSFUUFJQEOHQFO-JLPGSUDCSA-N 0 0 325.411 6.142 40 30 EKEBRN Cc1ccc([N+](=O)[O-])cc1/N=C/c1ccc(-c2ccccc2Cl)o1 ZINC000102956124 219243360 /nfs/dbraw/zinc/24/33/60/219243360.db2.gz FJHPHXFDTKVBNW-RGVLZGJSSA-N 0 0 340.766 5.567 40 30 EKEBRN Cc1ccc(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl ZINC000102957782 219243594 /nfs/dbraw/zinc/24/35/94/219243594.db2.gz VUSRSDIZUAXEKP-RGVLZGJSSA-N 0 0 340.766 5.567 40 30 EKEBRN Cc1ccc(/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl ZINC000102957784 564086560 /nfs/dbraw/zinc/08/65/60/564086560.db2.gz UNBJLPIFKMTVMQ-RGVLZGJSSA-N 0 0 340.766 5.567 40 30 EKEBRN Brc1ccccc1/N=C/c1ccc(-c2ccccc2)cc1 ZINC000102957955 219243369 /nfs/dbraw/zinc/24/33/69/219243369.db2.gz GLXDLHUYWGMJHU-KGENOOAVSA-N 0 0 336.232 5.867 40 30 EKEBRN C=CCn1c(-c2ccccc2)cs/c1=N/c1cccc(Cl)c1 ZINC000102962636 219244414 /nfs/dbraw/zinc/24/44/14/219244414.db2.gz GXYKMHNLPDAWQE-CZIZESTLSA-N 0 0 326.852 5.288 40 30 EKEBRN C=CCn1c(-c2ccc(C)cc2)cs/c1=N/c1cccc(C)c1C ZINC000102962752 219244369 /nfs/dbraw/zinc/24/43/69/219244369.db2.gz RCDIUKGDWWXQSV-QURGRASLSA-N 0 0 334.488 5.560 40 30 EKEBRN CCCCCCCCC[C@@H](CCCC)c1ccc(C(=O)CC)cc1 ZINC000102978740 219244924 /nfs/dbraw/zinc/24/49/24/219244924.db2.gz MDPMIKYIANJJEY-HXUWFJFHSA-N 0 0 330.556 7.694 40 30 EKEBRN CCCCCCCCC[C@H](CCCC)c1ccc(C(=O)CC)cc1 ZINC000102978742 219245160 /nfs/dbraw/zinc/24/51/60/219245160.db2.gz MDPMIKYIANJJEY-FQEVSTJZSA-N 0 0 330.556 7.694 40 30 EKEBRN Cc1cccc(NC(=O)C2=C(Nc3cccc(C)c3C)CCC2)c1C ZINC000103048112 219250053 /nfs/dbraw/zinc/25/00/53/219250053.db2.gz BZNXPSDDRGPQLO-QCLNCQLRSA-N 0 0 334.463 5.432 40 30 EKEBRN Cc1cccc(NC(=O)C2=C(Nc3cccc(C)c3C)CCC2)c1C ZINC000103048115 219250224 /nfs/dbraw/zinc/25/02/24/219250224.db2.gz BZNXPSDDRGPQLO-NKWDDMGQSA-N 0 0 334.463 5.432 40 30 EKEBRN Cc1ccc2nc(-c3ccc(/N=C\c4ccccc4O)cc3)sc2c1 ZINC000103295214 219285422 /nfs/dbraw/zinc/28/54/22/219285422.db2.gz NDTLSVIHPFXUNH-XKZIYDEJSA-N 0 0 344.439 5.728 40 30 EKEBRN CCCCCCCC/C=C\CCCCCCCCOS(C)(=O)=O ZINC000103562816 204083362 /nfs/dbraw/zinc/08/33/62/204083362.db2.gz SFCVHVDJESFESU-KHPPLWFESA-N 0 0 346.577 6.000 40 30 EKEBRN COc1ccc2c(c1)Cc1sc(/N=C\c3cccc(Cl)c3)nc1-2 ZINC000103583902 564129930 /nfs/dbraw/zinc/12/99/30/564129930.db2.gz SZOIOSRFTDRUKZ-JMIUGGIZSA-N 0 0 340.835 5.127 40 30 EKEBRN Cc1c(/C=N\c2ccc(Br)c(C)c2)c2ccccc2n1C ZINC000103593725 564129925 /nfs/dbraw/zinc/12/99/25/564129925.db2.gz NCDIKDLICVLSIU-JAIQZWGSSA-N 0 0 341.252 5.308 40 30 EKEBRN Cc1ccc(NC=CC(=O)c2ccc(-c3ccccc3)cc2)c(O)c1 ZINC000103593960 564129941 /nfs/dbraw/zinc/12/99/41/564129941.db2.gz MCRRTUUALFJOPY-BUHFOSPRSA-N 0 0 329.399 5.176 40 30 EKEBRN CCCCCCCc1cc(Br)sc1Br ZINC000103638722 219318425 /nfs/dbraw/zinc/31/84/25/219318425.db2.gz LWEVPWJECJRWQW-UHFFFAOYSA-N 0 0 340.124 5.786 40 30 EKEBRN CCCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OCC ZINC000103638806 219319100 /nfs/dbraw/zinc/31/91/00/219319100.db2.gz LIROAAHQIMWGKN-NLBZTSMMSA-N 0 0 340.548 5.948 40 30 EKEBRN CCCCCCCC/C=C/CCCCCCCCOS(C)(=O)=O ZINC000103676462 219320092 /nfs/dbraw/zinc/32/00/92/219320092.db2.gz SFCVHVDJESFESU-ZHACJKMWSA-N 0 0 346.577 6.000 40 30 EKEBRN C=CCn1c(-c2ccc(C)cc2)cs/c1=N/c1ccc(Cl)cc1 ZINC000103678851 219319651 /nfs/dbraw/zinc/31/96/51/219319651.db2.gz SEASQOUBARUBJW-XUTLUUPISA-N 0 0 340.879 5.597 40 30 EKEBRN CCCCCCCC[C@]1(CCC)NC(=S)N(c2ccc(C)cc2)N1 ZINC000103707823 564013715 /nfs/dbraw/zinc/01/37/15/564013715.db2.gz UUDNXPAKWLQGTR-HXUWFJFHSA-N 0 0 347.572 5.441 40 30 EKEBRN CCCCCCCC[C@@]1(CCC)NC(=S)N(c2ccc(C)cc2)N1 ZINC000103707825 564013718 /nfs/dbraw/zinc/01/37/18/564013718.db2.gz UUDNXPAKWLQGTR-FQEVSTJZSA-N 0 0 347.572 5.441 40 30 EKEBRN CCCCCCCCOc1ccc(NC(=O)c2ccccc2O)cc1 ZINC000103753342 564013762 /nfs/dbraw/zinc/01/37/62/564013762.db2.gz MRAMYAYMPXJJFM-UHFFFAOYSA-N 0 0 341.451 5.384 40 30 EKEBRN CCCCCCCCCCC/C(=N\O)c1ccc(O)c2ncccc12 ZINC000103842497 563983453 /nfs/dbraw/zinc/98/34/53/563983453.db2.gz HGVLSCJIZJAIFB-FCDQGJHFSA-N 0 0 342.483 6.040 40 30 EKEBRN Cc1cc2c(c(C)c1)-c1nc3ccccc3cc1/C2=N\c1ccccc1 ZINC000103922155 204089289 /nfs/dbraw/zinc/08/92/89/204089289.db2.gz KXSLOYHVRYVSLC-BZZOAKBMSA-N 0 0 334.422 6.001 40 30 EKEBRN CCCCCCCCCCCCCCCCCN(C)C(=O)OCC ZINC000104041127 219340877 /nfs/dbraw/zinc/34/08/77/219340877.db2.gz ONHDZNXLUYTFOK-UHFFFAOYSA-N 0 0 341.580 6.946 40 30 EKEBRN CCCCCCCCCCCC1=NC[C@H](C[C@@H](C)CC(C)(C)C)O1 ZINC000104043195 219341599 /nfs/dbraw/zinc/34/15/99/219341599.db2.gz JHOWWIRKZSMQAQ-UXHICEINSA-N 0 0 337.592 7.167 40 30 EKEBRN CCCCCCCCCCCC1=NC[C@@H](C[C@@H](C)CC(C)(C)C)O1 ZINC000104043200 219341185 /nfs/dbraw/zinc/34/11/85/219341185.db2.gz JHOWWIRKZSMQAQ-WOJBJXKFSA-N 0 0 337.592 7.167 40 30 EKEBRN CCCCCCCCCCCC1=NC[C@H](C[C@H](C)CC(C)(C)C)O1 ZINC000104043203 219341083 /nfs/dbraw/zinc/34/10/83/219341083.db2.gz JHOWWIRKZSMQAQ-PMACEKPBSA-N 0 0 337.592 7.167 40 30 EKEBRN CCCCCCCCCCCC1=NC[C@@H](C[C@H](C)CC(C)(C)C)O1 ZINC000104043208 219340850 /nfs/dbraw/zinc/34/08/50/219340850.db2.gz JHOWWIRKZSMQAQ-VQTJNVASSA-N 0 0 337.592 7.167 40 30 EKEBRN CCCCCCCCCCCCCCCCCC(=O)NCOCC ZINC000104049006 219342138 /nfs/dbraw/zinc/34/21/38/219342138.db2.gz HHEXLEAIEOBSHE-UHFFFAOYSA-N 0 0 341.580 6.358 40 30 EKEBRN C/C=C\C(=O)OCCCCCCCCCCCCCCCCCC ZINC000104071934 219344985 /nfs/dbraw/zinc/34/49/85/219344985.db2.gz HBEOHRMPTRZKOK-YQLNASGTSA-N 0 0 338.576 7.367 40 30 EKEBRN C/C=C/C(=O)OCCCCCCCCCCCCCCCCCC ZINC000104071938 219344789 /nfs/dbraw/zinc/34/47/89/219344789.db2.gz HBEOHRMPTRZKOK-LRNAUUFOSA-N 0 0 338.576 7.367 40 30 EKEBRN Clc1ccc(O/C(=N/c2ccccc2Cl)c2ccccc2)cc1 ZINC000104072944 204095881 /nfs/dbraw/zinc/09/58/81/204095881.db2.gz SLMICLMPRCKNDC-ZBJSNUHESA-N 0 0 342.225 6.151 40 30 EKEBRN O=C(Nc1cccc(Cl)c1)C1=C(Nc2cccc(Cl)c2)CCC1 ZINC000104077919 219346275 /nfs/dbraw/zinc/34/62/75/219346275.db2.gz AGXFOJPZNKUIGM-ZKCWRFQVSA-N 0 0 347.245 5.505 40 30 EKEBRN C(=N\c1ccc2c3c(cccc31)-c1ccccc1-2)\c1ccc2c(c1)OCO2 ZINC000104085926 204094362 /nfs/dbraw/zinc/09/43/62/204094362.db2.gz UPRXMAAFMDLEIK-MXAYSNPKSA-N 0 0 349.389 5.967 40 30 EKEBRN CCCCCCCCCC(=S)N1CCN(c2ccccc2)CC1 ZINC000104087487 219345583 /nfs/dbraw/zinc/34/55/83/219345583.db2.gz FMKFMZBNXRAKEK-UHFFFAOYSA-N 0 0 332.557 5.277 40 30 EKEBRN CCOC(C/N=C\c1cc(C)c2oc3ccccc3c2c1C)OCC ZINC000104087945 219345522 /nfs/dbraw/zinc/34/55/22/219345522.db2.gz YDFIPVFXNCYESY-UUYOSTAYSA-N 0 0 339.435 5.021 40 30 EKEBRN c1ccc(N=NC2CCC[C@@H]3C(N=Nc4ccccc4)CCC[C@@H]23)cc1 ZINC000104097819 204097344 /nfs/dbraw/zinc/09/73/44/204097344.db2.gz QPWBQKFQGBTMQA-JNKMWVSASA-N 0 0 346.478 5.523 40 30 EKEBRN c1ccc(N=NC2CCC[C@@H]3C(N=Nc4ccccc4)CCC[C@@H]23)cc1 ZINC000104097823 219347030 /nfs/dbraw/zinc/34/70/30/219347030.db2.gz QPWBQKFQGBTMQA-IABYJCAFSA-N 0 0 346.478 5.523 40 30 EKEBRN c1ccc(N=NC2CCC[C@@H]3C(N=Nc4ccccc4)CCC[C@@H]23)cc1 ZINC000104097828 204097603 /nfs/dbraw/zinc/09/76/03/204097603.db2.gz QPWBQKFQGBTMQA-BFLOUQNPSA-N 0 0 346.478 5.523 40 30 EKEBRN CCCCCCC(/C=N\N=C/c1ccccc1O)=C/c1ccccc1 ZINC000104099047 219347138 /nfs/dbraw/zinc/34/71/38/219347138.db2.gz UJUCPIUMNCWTEH-IRYCUDSLSA-N 0 0 334.463 5.851 40 30 EKEBRN C/C(=C/C(=N/N=C\c1ccccc1O)c1ccccc1)c1ccccc1 ZINC000104099072 219347493 /nfs/dbraw/zinc/34/74/93/219347493.db2.gz KGFIXCIEGNPCNP-MEKZSABGSA-N 0 0 340.426 5.319 40 30 EKEBRN CCCCCCCCCCCCCCCc1nnc(SC)s1 ZINC000104099307 520005050 /nfs/dbraw/zinc/00/50/50/520005050.db2.gz YLDVWCKZIXQHSL-UHFFFAOYSA-N 0 0 342.618 6.894 40 30 EKEBRN C=CCNC(=O)CCCCCCC[C@@H]1O[C@@H]1CCCCCCCC ZINC000104109765 219348214 /nfs/dbraw/zinc/34/82/14/219348214.db2.gz ADZPERKXQXVDFT-UXHICEINSA-N 0 0 337.548 5.537 40 30 EKEBRN C=CCNC(=O)CCCCCCC[C@@H]1O[C@H]1CCCCCCCC ZINC000104109770 204097107 /nfs/dbraw/zinc/09/71/07/204097107.db2.gz ADZPERKXQXVDFT-PMACEKPBSA-N 0 0 337.548 5.537 40 30 EKEBRN C=CCNC(=O)CCCCCCC[C@H]1O[C@@H]1CCCCCCCC ZINC000104109775 219348245 /nfs/dbraw/zinc/34/82/45/219348245.db2.gz ADZPERKXQXVDFT-WOJBJXKFSA-N 0 0 337.548 5.537 40 30 EKEBRN C=CCNC(=O)CCCCCCC[C@H]1O[C@H]1CCCCCCCC ZINC000104109779 219348614 /nfs/dbraw/zinc/34/86/14/219348614.db2.gz ADZPERKXQXVDFT-VQTJNVASSA-N 0 0 337.548 5.537 40 30 EKEBRN ON(/C(=N/c1cccc2ccccc21)c1ccccc1)c1ccccc1 ZINC000104117989 219348424 /nfs/dbraw/zinc/34/84/24/219348424.db2.gz JZWFXBRYIXDYRQ-WCWDXBQESA-N 0 0 338.410 5.814 40 30 EKEBRN O/N=C1/C=C(c2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)C1 ZINC000104119399 219348574 /nfs/dbraw/zinc/34/85/74/219348574.db2.gz DKBTVOCXPDAIGZ-KIAZCSCTSA-N 0 0 339.438 5.872 40 30 EKEBRN O/N=C1/C=C(c2ccccc2)[C@H](c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000104119406 219348511 /nfs/dbraw/zinc/34/85/11/219348511.db2.gz DKBTVOCXPDAIGZ-IWPJPXQQSA-N 0 0 339.438 5.872 40 30 EKEBRN N#CC(=O)c1c(-c2ccccc2)[nH]c(-c2ccccc2)c1-c1ccccc1 ZINC000104119833 219348205 /nfs/dbraw/zinc/34/82/05/219348205.db2.gz RCAYZNQFAMDCSG-UHFFFAOYSA-N 0 0 348.405 5.722 40 30 EKEBRN CCCCCCCN(CCCCCCC)C(=S)Nc1ccccc1 ZINC000104120375 219348768 /nfs/dbraw/zinc/34/87/68/219348768.db2.gz KRQMUERSVCDEAV-UHFFFAOYSA-N 0 0 348.600 6.626 40 30 EKEBRN CCCCCCCC/C=C\CCCCCCCC(=O)NCCOC ZINC000104129131 219350272 /nfs/dbraw/zinc/35/02/72/219350272.db2.gz QVSXZMYXFFUFEW-KHPPLWFESA-N 0 0 339.564 5.787 40 30 EKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)NCCOC ZINC000104129134 204096489 /nfs/dbraw/zinc/09/64/89/204096489.db2.gz QVSXZMYXFFUFEW-ZHACJKMWSA-N 0 0 339.564 5.787 40 30 EKEBRN Oc1ccc(/C=N\c2cc3c4ccccc4ccc3c3ccccc23)cc1 ZINC000104131338 204097072 /nfs/dbraw/zinc/09/70/72/204097072.db2.gz IUSHYZSYYSOCDX-QQXSKIMKSA-N 0 0 347.417 6.602 40 30 EKEBRN CN1C(=O)C=C(/C=N\c2ccc(-c3ccccc3)cc2)[C@H]2CCCC[C@H]21 ZINC000104131906 219349718 /nfs/dbraw/zinc/34/97/18/219349718.db2.gz OYSCKFIELWMGSV-DQPUHINBSA-N 0 0 344.458 5.013 40 30 EKEBRN CN1C(=O)C=C(/C=N\c2ccc(-c3ccccc3)cc2)[C@H]2CCCC[C@@H]21 ZINC000104131913 219349599 /nfs/dbraw/zinc/34/95/99/219349599.db2.gz OYSCKFIELWMGSV-GCLCJRBZSA-N 0 0 344.458 5.013 40 30 EKEBRN COc1ccc(/C(=N/c2ccc(C)cc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000104132450 204097317 /nfs/dbraw/zinc/09/73/17/204097317.db2.gz UXKVOBSXYDGOLY-QURGRASLSA-N 0 0 346.386 5.081 40 30 EKEBRN CCCCCCCCCCCCCCCCCCNC(=O)N1CC1 ZINC000104134318 519995374 /nfs/dbraw/zinc/99/53/74/519995374.db2.gz MEMUMYCLWQPAEX-UHFFFAOYSA-N 0 0 338.580 6.273 40 30 EKEBRN CCCCCCCCCCCCCCOc1ccc2ccccc2c1 ZINC000104134582 520007216 /nfs/dbraw/zinc/00/72/16/520007216.db2.gz CPBIQBDVBWEYQK-UHFFFAOYSA-N 0 0 340.551 7.920 40 30 EKEBRN CCCCCCCCCCCCCCCCSc1cccc(C)c1 ZINC000104134631 563983499 /nfs/dbraw/zinc/98/34/99/563983499.db2.gz XDNZZXTYZGYDJN-UHFFFAOYSA-N 0 0 348.640 8.568 40 30 EKEBRN CCCCCCCCCCCCCCCCc1c(C)ncn(C)c1=O ZINC000104140064 563983505 /nfs/dbraw/zinc/98/35/05/563983505.db2.gz MCRYNHIUFRQUSK-UHFFFAOYSA-N 0 0 348.575 6.113 40 30 EKEBRN CCCCCCCCCCCCNC(=O)Nc1ccc(CC)cc1 ZINC000104143883 219353788 /nfs/dbraw/zinc/35/37/88/219353788.db2.gz CDKVLHUOBKLHMU-UHFFFAOYSA-N 0 0 332.532 6.291 40 30 EKEBRN CCCCCCCCCCCCNC(=O)Nc1cccc(C)c1C ZINC000104143887 563983503 /nfs/dbraw/zinc/98/35/03/563983503.db2.gz YDTQAKLGYGBKAA-UHFFFAOYSA-N 0 0 332.532 6.346 40 30 EKEBRN CCCCCCCCCCCCNC(=O)Nc1cc(C)ccc1C ZINC000104143890 563983504 /nfs/dbraw/zinc/98/35/04/563983504.db2.gz ILQQBSQQZLPQCH-UHFFFAOYSA-N 0 0 332.532 6.346 40 30 EKEBRN CCCCCCCCCCCCNC(=O)Nc1ccc(C)cc1C ZINC000104143894 520010551 /nfs/dbraw/zinc/01/05/51/520010551.db2.gz XZUCNUIKUVGULK-UHFFFAOYSA-N 0 0 332.532 6.346 40 30 EKEBRN COc1cccc(/N=C/c2ccc(/C=N\c3cccc(OC)c3)cc2)c1 ZINC000104144410 563983506 /nfs/dbraw/zinc/98/35/06/563983506.db2.gz WILUYCCJGCJLNY-REPVBDINSA-N 0 0 344.414 5.205 40 30 EKEBRN CCCCCCCCCCCCCCCc1cccc2ccccc21 ZINC000104145435 563983510 /nfs/dbraw/zinc/98/35/10/563983510.db2.gz CRNKGYFOWLZFDQ-UHFFFAOYSA-N 0 0 338.579 8.474 40 30 EKEBRN CCCCCCCCCCCCCCC[C@@H]1CCC[C@H]2CCCC[C@H]12 ZINC000104145437 563983498 /nfs/dbraw/zinc/98/34/98/563983498.db2.gz KAPWPCCFMBDURV-UBFVSLLYSA-N 0 0 348.659 9.074 40 30 EKEBRN CCCCCCCCCCCCCCC[C@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000104145440 563983508 /nfs/dbraw/zinc/98/35/08/563983508.db2.gz KAPWPCCFMBDURV-ISJGIBHGSA-N 0 0 348.659 9.074 40 30 EKEBRN CCCCCCCCCCCCCCC[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000104145443 563983500 /nfs/dbraw/zinc/98/35/00/563983500.db2.gz KAPWPCCFMBDURV-DSNGMDLFSA-N 0 0 348.659 9.074 40 30 EKEBRN CCCCCCCCCCCCCCC[C@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000104145446 520005532 /nfs/dbraw/zinc/00/55/32/520005532.db2.gz KAPWPCCFMBDURV-CCDWMCETSA-N 0 0 348.659 9.074 40 30 EKEBRN CCCCCCCc1ccc(/N=C\c2ccc(OCCC)cc2)cc1 ZINC000104149510 204098409 /nfs/dbraw/zinc/09/84/09/204098409.db2.gz ZKIXLCCWIJFEJL-CLCOLTQESA-N 0 0 337.507 6.739 40 30 EKEBRN CCCCCCCCCOc1ccc(/C=N\c2ccc(C)cc2)cc1 ZINC000104149518 219353520 /nfs/dbraw/zinc/35/35/20/219353520.db2.gz FVQUWCQPENLSTL-CLCOLTQESA-N 0 0 337.507 6.875 40 30 EKEBRN CCCCCCCc1ccc2cccc3c2c1C(=O)c1ccccc1-3 ZINC000104153144 219354764 /nfs/dbraw/zinc/35/47/64/219354764.db2.gz GSEZAOZHKMOPDK-UHFFFAOYSA-N 0 0 328.455 6.564 40 30 EKEBRN CCCCCCCCCCCCC(=O)N(CCCC)CCCC ZINC000104156438 204098083 /nfs/dbraw/zinc/09/80/83/204098083.db2.gz RYZAOJUQAWATCE-UHFFFAOYSA-N 0 0 325.581 6.726 40 30 EKEBRN CCCCCCCCCCCCNC(=O)Nc1cccc(OC)c1 ZINC000104156624 563983512 /nfs/dbraw/zinc/98/35/12/563983512.db2.gz FPQPRDLWZHZDLK-UHFFFAOYSA-N 0 0 334.504 5.738 40 30 EKEBRN CCCCCCCCCCCCCCCC(=O)N(CCC)CCC ZINC000104158155 219354897 /nfs/dbraw/zinc/35/48/97/219354897.db2.gz VDQVFTRTOJJOGR-UHFFFAOYSA-N 0 0 339.608 7.116 40 30 EKEBRN CCOc1ccc(/N=C\c2ccccc2OC(=O)c2ccccc2)cc1 ZINC000104160683 563983514 /nfs/dbraw/zinc/98/35/14/563983514.db2.gz ZBRWMEBYLZZJJU-KQWNVCNZSA-N 0 0 345.398 5.055 40 30 EKEBRN C=CS(=O)(=O)CCCCCCCCCCCCCCCCCC ZINC000104161238 219354580 /nfs/dbraw/zinc/35/45/80/219354580.db2.gz GJNYFOAXSMOBIG-UHFFFAOYSA-N 0 0 344.605 6.806 40 30 EKEBRN CCCCCCCCCCCCCCCCCCNC(=S)OC ZINC000104161387 204098383 /nfs/dbraw/zinc/09/83/83/204098383.db2.gz SGECOFXATPPNNW-UHFFFAOYSA-N 0 0 343.621 6.769 40 30 EKEBRN O=[N+]([O-])c1ccc(N=NC(N=Nc2ccccc2)c2ccccc2)cc1 ZINC000104165656 563983518 /nfs/dbraw/zinc/98/35/18/563983518.db2.gz GDFUXTMRKPSXDG-ZUKKZPQCSA-N 0 0 345.362 5.152 40 30 EKEBRN O=[N+]([O-])c1ccc(N=NC(N=Nc2ccccc2)c2ccccc2)cc1 ZINC000104165662 219354079 /nfs/dbraw/zinc/35/40/79/219354079.db2.gz GDFUXTMRKPSXDG-HREGSMEMSA-N 0 0 345.362 5.152 40 30 EKEBRN CCCCCCCCCCCCCCCCCCNC(=O)[C@@H](C)O ZINC000104179311 219355680 /nfs/dbraw/zinc/35/56/80/219355680.db2.gz IQMRMAPGRQYCKW-HXUWFJFHSA-N 0 0 341.580 5.745 40 30 EKEBRN CCCCCCCCCCCCCCCCCCNC(=O)[C@H](C)O ZINC000104179314 219355719 /nfs/dbraw/zinc/35/57/19/219355719.db2.gz IQMRMAPGRQYCKW-FQEVSTJZSA-N 0 0 341.580 5.745 40 30 EKEBRN CCCCCCCCCCCCOCCCCCCCCCCC ZINC000104180440 219355889 /nfs/dbraw/zinc/35/58/89/219355889.db2.gz BGWLKTKHQMBLFA-UHFFFAOYSA-N 0 0 340.636 8.455 40 30 EKEBRN COc1ccc(/C=N\c2ccc3c(c2)Cc2ccccc2-3)cc1OC ZINC000104180815 219355982 /nfs/dbraw/zinc/35/59/82/219355982.db2.gz RKFNYVXFWMZKNU-UCQKPKSFSA-N 0 0 329.399 5.026 40 30 EKEBRN CCCCCCCCCCCCCCCC[N+]1([O-])CCOCC1 ZINC000104182818 520003059 /nfs/dbraw/zinc/00/30/59/520003059.db2.gz ANEQCAQYBIJUHR-UHFFFAOYSA-N 0 0 327.553 5.813 40 30 EKEBRN CCCCCCCCCCCCOC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000104186045 563983524 /nfs/dbraw/zinc/98/35/24/563983524.db2.gz NIXNCBRIBRCGQE-UHFFFAOYSA-N 0 0 335.444 5.673 40 30 EKEBRN C(#CP(C#Cc1ccccc1)C#Cc1ccccc1)c1ccccc1 ZINC000104186133 219356446 /nfs/dbraw/zinc/35/64/46/219356446.db2.gz APTNCZDJACCTRQ-UHFFFAOYSA-N 0 0 334.358 5.496 40 30 EKEBRN Clc1ccc(/N=C(\Oc2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000104187146 204100549 /nfs/dbraw/zinc/10/05/49/204100549.db2.gz IYTWTCYGDXHRGK-QOCHGBHMSA-N 0 0 342.225 6.151 40 30 EKEBRN Cc1ccccc1/C(=N/c1ccccc1)Oc1ccccc1[N+](=O)[O-] ZINC000104190088 204100772 /nfs/dbraw/zinc/10/07/72/204100772.db2.gz RGQKULNBHBJPQX-MRCUWXFGSA-N 0 0 332.359 5.061 40 30 EKEBRN O=C(Nc1ccccc1)Oc1cccc(/C=N\Sc2ccccc2)c1 ZINC000104191033 563983520 /nfs/dbraw/zinc/98/35/20/563983520.db2.gz CELRASNWIFSQGW-QNGOZBTKSA-N 0 0 348.427 5.424 40 30 EKEBRN CCCCCCCCCCCCCCCC(=O)OCC(=O)OC ZINC000104192888 219358197 /nfs/dbraw/zinc/35/81/97/219358197.db2.gz OOMCGVPMVNOQGP-UHFFFAOYSA-N 0 0 328.493 5.184 40 30 EKEBRN CCCCCCCCCCCCCCCCCC[N+]1([O-])CCCC1 ZINC000104198976 563983535 /nfs/dbraw/zinc/98/35/35/563983535.db2.gz XFQBGPSSXIBFJW-UHFFFAOYSA-N 0 0 339.608 7.356 40 30 EKEBRN CCCCCCCCCCCCCCCC[N+]1([O-])CCCCC1 ZINC000104198988 563983530 /nfs/dbraw/zinc/98/35/30/563983530.db2.gz VUCQXFUUUZFINQ-UHFFFAOYSA-N 0 0 325.581 6.966 40 30 EKEBRN CCCCCCCCCCCCCCC[N+]1([O-])CCCCCC1 ZINC000104199020 520004781 /nfs/dbraw/zinc/00/47/81/520004781.db2.gz APCMAYLQTXWRQM-UHFFFAOYSA-N 0 0 325.581 6.966 40 30 EKEBRN CCCCCCCCCCCCCCCC[N+]1([O-])CCCCCC1 ZINC000104199023 563983529 /nfs/dbraw/zinc/98/35/29/563983529.db2.gz XASUGLXXVKOGKO-UHFFFAOYSA-N 0 0 339.608 7.356 40 30 EKEBRN CCn1c2ccccc2c2ccc(/N=C\c3ccc(N(C)C)cc3)cc21 ZINC000104201765 204100262 /nfs/dbraw/zinc/10/02/62/204100262.db2.gz PVAFATHGNWXDDS-JLPGSUDCSA-N 0 0 341.458 5.631 40 30 EKEBRN CCn1c2ccccc2c2ccc(/N=C\c3ccc([N+](=O)[O-])cc3)cc21 ZINC000104201770 219359587 /nfs/dbraw/zinc/35/95/87/219359587.db2.gz PGNDKOWODWWYKP-HMAPJEAMSA-N 0 0 343.386 5.473 40 30 EKEBRN CCn1c2ccccc2c2ccc(/N=C\c3ccccc3[N+](=O)[O-])cc21 ZINC000104201780 219359901 /nfs/dbraw/zinc/35/99/01/219359901.db2.gz XJXKYJZMBUHFHM-HMAPJEAMSA-N 0 0 343.386 5.473 40 30 EKEBRN CCn1c2ccccc2c2ccc(/N=C\c3ccc4ccccc4c3)cc21 ZINC000104201786 219359990 /nfs/dbraw/zinc/35/99/90/219359990.db2.gz IZGNKGROTVSFCZ-ONUIUJJFSA-N 0 0 348.449 6.718 40 30 EKEBRN CCn1c2ccccc2c2cc(/N=C\c3cccc([N+](=O)[O-])c3)ccc21 ZINC000104202383 219360190 /nfs/dbraw/zinc/36/01/90/219360190.db2.gz FXVZLBDDTCBSQQ-HMAPJEAMSA-N 0 0 343.386 5.473 40 30 EKEBRN CN(C)c1ccc(/C=N\c2ccc3c4c(cccc42)-c2ccccc2-3)cc1 ZINC000104202391 219360076 /nfs/dbraw/zinc/36/00/76/219360076.db2.gz IVEBVAUCQOOGPY-QQXSKIMKSA-N 0 0 348.449 6.304 40 30 EKEBRN CCCCCCCCCCCCCCOC(=O)c1ccc(O)cc1 ZINC000104206630 563983539 /nfs/dbraw/zinc/98/35/39/563983539.db2.gz DATMKDBMEZKPLP-UHFFFAOYSA-N 0 0 334.500 6.250 40 30 EKEBRN C=CCc1ccc(C(=O)OCCCCCCCCCC)c(OC)c1 ZINC000104206650 219360969 /nfs/dbraw/zinc/36/09/69/219360969.db2.gz OXFDLFDXGJQEIU-UHFFFAOYSA-N 0 0 332.484 5.721 40 30 EKEBRN C=Cc1cc(C)ccc1C(=O)OCCCCCCCCCCCC ZINC000104206666 519304299 /nfs/dbraw/zinc/30/42/99/519304299.db2.gz ICLPOFWJMQBYPF-UHFFFAOYSA-N 0 0 330.512 6.716 40 30 EKEBRN CCCCCCCCCCCC(=O)C[C@H](SCC)c1ccccc1 ZINC000104207771 563983551 /nfs/dbraw/zinc/98/35/51/563983551.db2.gz AOBJSLNYGONCQA-QFIPXVFZSA-N 0 0 348.596 7.361 40 30 EKEBRN CCCCCCCCCCCC(=O)C[C@@H](SCC)c1ccccc1 ZINC000104207777 563983541 /nfs/dbraw/zinc/98/35/41/563983541.db2.gz AOBJSLNYGONCQA-JOCHJYFZSA-N 0 0 348.596 7.361 40 30 EKEBRN FC(F)(F)c1cccc(/C=N\c2ccc(Oc3ccccc3)cc2)c1 ZINC000104211080 219360985 /nfs/dbraw/zinc/36/09/85/219360985.db2.gz DEORVBYUDUTIJH-OYKKKHCWSA-N 0 0 341.332 6.248 40 30 EKEBRN FC(F)(F)c1ccc(/C=N\c2ccc(Oc3ccccc3)cc2)cc1 ZINC000104211085 204102116 /nfs/dbraw/zinc/10/21/16/204102116.db2.gz YKFGPXWFMFQQHT-OYKKKHCWSA-N 0 0 341.332 6.248 40 30 EKEBRN CCCSc1nc2ccc(/N=C\c3ccccc3O)cc2s1 ZINC000104213441 520568656 /nfs/dbraw/zinc/56/86/56/520568656.db2.gz MITRFJAIWOSLBJ-WQRHYEAKSA-N 0 0 328.462 5.255 40 30 EKEBRN CCCCSc1nc2ccc(/N=C\c3ccccc3O)cc2s1 ZINC000104213450 563983549 /nfs/dbraw/zinc/98/35/49/563983549.db2.gz SFMBWKWAPIJOAS-UNOMPAQXSA-N 0 0 342.489 5.645 40 30 EKEBRN CC(C)CSc1nc2ccc(/N=C\c3ccccc3O)cc2s1 ZINC000104213456 219362340 /nfs/dbraw/zinc/36/23/40/219362340.db2.gz JZPGURKWXUBQLP-GRSHGNNSSA-N 0 0 342.489 5.501 40 30 EKEBRN Cc1cc(Cl)ccc1/N=C\c1ccc(OCc2ccccc2)cc1 ZINC000104214229 204102109 /nfs/dbraw/zinc/10/21/09/204102109.db2.gz BRFJPVXCXKXCFL-UCQKPKSFSA-N 0 0 335.834 5.978 40 30 EKEBRN CCN(CC#N)c1ccc(/N=N\c2cc(Cl)ccc2Cl)cc1 ZINC000104224658 219363631 /nfs/dbraw/zinc/36/36/31/219363631.db2.gz NKIBJAPDPOJTJE-MRCUWXFGSA-N 0 0 333.222 5.759 40 30 EKEBRN CN(C)c1ccc(/C=N\c2cccc(C(F)(F)F)c2)c(Cl)c1 ZINC000104226994 219363428 /nfs/dbraw/zinc/36/34/28/219363428.db2.gz PQZQTLXBAITVTJ-FBHDLOMBSA-N 0 0 326.749 5.175 40 30 EKEBRN C/C=C/C=N\SC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000104244777 204102017 /nfs/dbraw/zinc/10/20/17/204102017.db2.gz SRXVDPUCEILPPO-XIBPWADYSA-N 0 0 343.495 6.274 40 30 EKEBRN CC/C(C)=N\SC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000104244786 219364052 /nfs/dbraw/zinc/36/40/52/219364052.db2.gz OZDHZXMDYQBQGD-CLCOLTQESA-N 0 0 345.511 6.498 40 30 EKEBRN CC/C(=N/O)c1ccc2cc(Br)c3ccccc3c2c1 ZINC000104249354 219365277 /nfs/dbraw/zinc/36/52/77/219365277.db2.gz XGZRVOLTGCVKOT-ZPHPHTNESA-N 0 0 328.209 5.344 40 30 EKEBRN CCCCCCCCCCCCCCCc1cc(O)ccc1N=O ZINC000104251970 563983553 /nfs/dbraw/zinc/98/35/53/563983553.db2.gz AGUUICCLWAPXEB-UHFFFAOYSA-N 0 0 333.516 7.424 40 30 EKEBRN CCCCCCCC#C[C@@]1([C@H](O)CC)Sc2ccccc2N1C ZINC000104267655 219368580 /nfs/dbraw/zinc/36/85/80/219368580.db2.gz UDWLASNAODJLGE-UXHICEINSA-N 0 0 331.525 5.060 40 30 EKEBRN CCCCCCCC#C[C@]1([C@H](O)CC)Sc2ccccc2N1C ZINC000104267660 219368130 /nfs/dbraw/zinc/36/81/30/219368130.db2.gz UDWLASNAODJLGE-WOJBJXKFSA-N 0 0 331.525 5.060 40 30 EKEBRN C1=C(c2ccccc2)/C(=N\c2ccccc2)S/C1=N/c1ccccc1 ZINC000104270793 204102851 /nfs/dbraw/zinc/10/28/51/204102851.db2.gz ABFGFXFRBPRUDO-MBALSZOMSA-N 0 0 340.451 6.277 40 30 EKEBRN C1=C(c2ccccc2)/C(=N\c2ccccc2)S/C1=N\c1ccccc1 ZINC000104270797 219368025 /nfs/dbraw/zinc/36/80/25/219368025.db2.gz ABFGFXFRBPRUDO-MMUCEYJRSA-N 0 0 340.451 6.277 40 30 EKEBRN O=C(O/N=C1/CCCC/C1=C/c1ccccc1)c1ccc(Cl)cc1 ZINC000104281729 219369152 /nfs/dbraw/zinc/36/91/52/219369152.db2.gz RVMAFJBKFCVPEA-CFDXPTNASA-N 0 0 339.822 5.510 40 30 EKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H]1CO1 ZINC000104319524 563983566 /nfs/dbraw/zinc/98/35/66/563983566.db2.gz VWYIWOYBERNXLX-XTXLJPNXSA-N 0 0 338.532 5.966 40 30 EKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H]1CO1 ZINC000104319529 563983574 /nfs/dbraw/zinc/98/35/74/563983574.db2.gz VWYIWOYBERNXLX-SQUSKLHYSA-N 0 0 338.532 5.966 40 30 EKEBRN CCCCCCCCCCOC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000104326251 563983569 /nfs/dbraw/zinc/98/35/69/563983569.db2.gz SKPVQWGVKMDDCZ-UHFFFAOYSA-N 0 0 348.527 6.047 40 30 EKEBRN CCCCCCCCCCCCCCCCCC1=N[C@H](CC)CO1 ZINC000104326419 563983578 /nfs/dbraw/zinc/98/35/78/563983578.db2.gz KFWMAYFJAHUWBW-OAQYLSRUSA-N 0 0 337.592 7.455 40 30 EKEBRN CCCCCCCCCCCCCCCCCC1=N[C@@H](CC)CO1 ZINC000104326425 563983576 /nfs/dbraw/zinc/98/35/76/563983576.db2.gz KFWMAYFJAHUWBW-NRFANRHFSA-N 0 0 337.592 7.455 40 30 EKEBRN CC(=O)Nc1ccc2c(c1)/C(=N\c1ccc(Cl)cc1)c1ccccc1-2 ZINC000104327323 219374445 /nfs/dbraw/zinc/37/44/45/219374445.db2.gz NNWLPDIQUKGKBD-FLFQWRMESA-N 0 0 346.817 5.448 40 30 EKEBRN CCc1ccc(/N=C2/c3ccccc3-c3ccc([N+](=O)[O-])cc32)cc1 ZINC000104334020 219375022 /nfs/dbraw/zinc/37/50/22/219375022.db2.gz FRPKQMMWQYKMQP-DQRAZIAOSA-N 0 0 328.371 5.307 40 30 EKEBRN O=[N+]([O-])c1ccc2c(c1)/C(=N\c1ccc(Cl)cc1)c1ccccc1-2 ZINC000104334024 219375271 /nfs/dbraw/zinc/37/52/71/219375271.db2.gz GKAFZNCHCNMDBB-VZCXRCSSSA-N 0 0 334.762 5.398 40 30 EKEBRN CCCCCCC[C@@H]1C[C@H](OCC)O[C@H](CCCCCCC)O1 ZINC000104338424 204106791 /nfs/dbraw/zinc/10/67/91/204106791.db2.gz XPYMDCBCTBGJKN-VAMGGRTRSA-N 0 0 328.537 6.202 40 30 EKEBRN CCCCCCC[C@H]1O[C@@H](OCC)C[C@H](CCCCCCC)O1 ZINC000104338430 219375281 /nfs/dbraw/zinc/37/52/81/219375281.db2.gz XPYMDCBCTBGJKN-XUVXKRRUSA-N 0 0 328.537 6.202 40 30 EKEBRN CCCCCCC[C@@H]1C[C@@H](OCC)O[C@H](CCCCCCC)O1 ZINC000104338433 219375303 /nfs/dbraw/zinc/37/53/03/219375303.db2.gz XPYMDCBCTBGJKN-AQNXPRMDSA-N 0 0 328.537 6.202 40 30 EKEBRN CCCCCCC[C@@H]1O[C@@H](CCCCCCC)C[C@@H](OCC)O1 ZINC000104338438 219375658 /nfs/dbraw/zinc/37/56/58/219375658.db2.gz XPYMDCBCTBGJKN-ZCNNSNEGSA-N 0 0 328.537 6.202 40 30 EKEBRN CCCCCCCCCCCCCC[NH2+]CCCCCC(=O)[O-] ZINC000104338775 219377109 /nfs/dbraw/zinc/37/71/09/219377109.db2.gz LYTAZONWIPQILQ-UHFFFAOYSA-N 0 0 327.553 5.922 40 30 EKEBRN CCCCCCCCN(CCCCCCCC)C(=O)CC(C)C ZINC000104345803 204105936 /nfs/dbraw/zinc/10/59/36/204105936.db2.gz AJSRFJXCTMYLGZ-UHFFFAOYSA-N 0 0 325.581 6.582 40 30 EKEBRN CCCCO/C(=N/c1ccccc1)N(c1ccccc1)c1ccccc1 ZINC000104355421 219378051 /nfs/dbraw/zinc/37/80/51/219378051.db2.gz RYFBMTLSFMYQKA-WCWDXBQESA-N 0 0 344.458 6.329 40 30 EKEBRN CCCCCCCCCCCCSC(=O)C(Cl)(Cl)Cl ZINC000104360771 219379190 /nfs/dbraw/zinc/37/91/90/219379190.db2.gz IJNAGZDQPXMIEY-UHFFFAOYSA-N 0 0 347.779 6.537 40 30 EKEBRN CCCCCCCCCCCCCCCCCCNC(=S)NN ZINC000104364964 219379833 /nfs/dbraw/zinc/37/98/33/219379833.db2.gz HJDFNODKUDTBIV-UHFFFAOYSA-N 0 0 343.625 5.586 40 30 EKEBRN CCCCCCCCCCCCOC(=O)C(Cl)(Cl)Cl ZINC000104367806 219380492 /nfs/dbraw/zinc/38/04/92/219380492.db2.gz LFBVFMYQESVNJY-UHFFFAOYSA-N 0 0 331.711 5.821 40 30 EKEBRN CCCCCC(=C\c1ccccc1)/C=N\c1ccccc1C(=O)OC ZINC000104367972 563983607 /nfs/dbraw/zinc/98/36/07/563983607.db2.gz YQIWYASBSBXASC-LLULCAITSA-N 0 0 335.447 5.839 40 30 EKEBRN CCCCCC(/C=N\c1ccccc1C(=O)OC)=C/c1ccccc1 ZINC000104367974 563983587 /nfs/dbraw/zinc/98/35/87/563983587.db2.gz YQIWYASBSBXASC-VRUOGPTQSA-N 0 0 335.447 5.839 40 30 EKEBRN Cc1ccc(C(C)C)c(O)c1/N=C/c1cc(Br)ccc1O ZINC000104372145 204107350 /nfs/dbraw/zinc/10/73/50/204107350.db2.gz MSASHQFQKVQVFT-DJKKODMXSA-N 0 0 348.240 5.043 40 30 EKEBRN Cc1cccc(/C=N\c2ccccc2/N=C\c2cccc(C)c2O)c1O ZINC000104373703 204108374 /nfs/dbraw/zinc/10/83/74/204108374.db2.gz DNVUYVBRNCWGAK-GACBQCINSA-N 0 0 344.414 5.216 40 30 EKEBRN Cc1cccc(/C=N/c2ccccc2/N=C\c2cccc(C)c2O)c1O ZINC000104373705 563983608 /nfs/dbraw/zinc/98/36/08/563983608.db2.gz DNVUYVBRNCWGAK-NQGGHMMCSA-N 0 0 344.414 5.216 40 30 EKEBRN CCCCCCCCCCCCCCCCCC(=O)NC(N)=S ZINC000104380830 219382191 /nfs/dbraw/zinc/38/21/91/219382191.db2.gz IAWUVUIVBMLRJY-UHFFFAOYSA-N 0 0 342.593 5.608 40 30 EKEBRN CCCCCCCCCCCCCCCC(=O)NCCOC(C)=O ZINC000104380997 219382177 /nfs/dbraw/zinc/38/21/77/219382177.db2.gz KNZOGQPUJYKSAA-UHFFFAOYSA-N 0 0 341.536 5.147 40 30 EKEBRN CCCCCCCCCCCCCCCCCCNC(=O)SC ZINC000104382512 219382852 /nfs/dbraw/zinc/38/28/52/219382852.db2.gz QCFJSTMFKTZZTJ-UHFFFAOYSA-N 0 0 343.621 7.321 40 30 EKEBRN O=[N+]([O-])c1ccc(/C=N\c2ccc3c(c2)Cc2cc(Cl)ccc2-3)cc1 ZINC000104389692 219383433 /nfs/dbraw/zinc/38/34/33/219383433.db2.gz MBQJOWVROSITSF-UUYOSTAYSA-N 0 0 348.789 5.570 40 30 EKEBRN Clc1ccc(/C=N\c2ccc3c(c2)Cc2ccccc2-3)cc1Cl ZINC000104389727 219383700 /nfs/dbraw/zinc/38/37/00/219383700.db2.gz HYXSMGJMBJUFLQ-FMCGGJTJSA-N 0 0 338.237 6.315 40 30 EKEBRN CCCCCCCCCCCCCCCc1cc(O)ccc1Cl ZINC000104390270 564023839 /nfs/dbraw/zinc/02/38/39/564023839.db2.gz IGXPUAZPFOOSEE-UHFFFAOYSA-N 0 0 338.963 7.679 40 30 EKEBRN CCCCCCCCCCCCCCOC(=O)[C@@H](C)OC(C)=O ZINC000104394535 204107837 /nfs/dbraw/zinc/10/78/37/204107837.db2.gz GSUIFWVFZIMJEO-QGZVFWFLSA-N 0 0 328.493 5.182 40 30 EKEBRN CCCCCCCCCCCCCCOC(=O)[C@H](C)OC(C)=O ZINC000104394539 219383326 /nfs/dbraw/zinc/38/33/26/219383326.db2.gz GSUIFWVFZIMJEO-KRWDZBQOSA-N 0 0 328.493 5.182 40 30 EKEBRN CCOc1ccc(NC=CC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000104498256 219389687 /nfs/dbraw/zinc/38/96/87/219389687.db2.gz AXCOALJMTIXIST-MDZDMXLPSA-N 0 0 336.218 5.201 40 30 EKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)NC[C@@H](C)O ZINC000104851257 204124359 /nfs/dbraw/zinc/12/43/59/204124359.db2.gz UDZAXLGLNUMCRX-CTDFXDFQSA-N 0 0 339.564 5.521 40 30 EKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)NC[C@H](C)O ZINC000104851261 563983716 /nfs/dbraw/zinc/98/37/16/563983716.db2.gz UDZAXLGLNUMCRX-CFGKVWFZSA-N 0 0 339.564 5.521 40 30 EKEBRN CCCCCCCCCCCCCCCC(=O)Nc1ccc(N)cc1 ZINC000104959671 257914914 /nfs/dbraw/zinc/91/49/14/257914914.db2.gz RBRNLGAQILEFKT-UHFFFAOYSA-N 0 0 346.559 6.689 40 30 EKEBRN CCCCCCCCCCCCCCCC[S@@+](C)CCC(=O)[O-] ZINC000105016510 204130827 /nfs/dbraw/zinc/13/08/27/204130827.db2.gz UAAAFMIMHFYGHZ-QHCPKHFHSA-O 0 0 345.613 6.191 40 30 EKEBRN CCCCCCCCCCCCCCCC[S@+](C)CCC(=O)[O-] ZINC000105016514 563983705 /nfs/dbraw/zinc/98/37/05/563983705.db2.gz UAAAFMIMHFYGHZ-HSZRJFAPSA-O 0 0 345.613 6.191 40 30 EKEBRN Cc1cc(/C=N\c2ccc(C)c(C)c2)c(C)n1-c1ccc(C)c(C)c1 ZINC000105888183 564014399 /nfs/dbraw/zinc/01/43/99/564014399.db2.gz DJIXHWMIKJGGOZ-OYKKKHCWSA-N 0 0 330.475 6.078 40 30 EKEBRN CCCCCCCCCCCOC(=O)NC(=S)c1ccccc1 ZINC000106677737 564014941 /nfs/dbraw/zinc/01/49/41/564014941.db2.gz ACZCRNDZLQSWCN-UHFFFAOYSA-N 0 0 335.513 5.619 40 30 EKEBRN O=C1C=C(SC2CCCCC2)C(=O)C=C1SC1CCCCC1 ZINC000106829223 563976411 /nfs/dbraw/zinc/97/64/11/563976411.db2.gz XFNTXVKYFWJZOM-UHFFFAOYSA-N 0 0 336.522 5.038 40 30 EKEBRN Cc1ccc(C(=O)/C=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)cc1 ZINC000106897510 564014988 /nfs/dbraw/zinc/01/49/88/564014988.db2.gz KOOBEDRJGWSGJM-PKNBQFBNSA-N 0 0 347.370 5.368 40 30 EKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(F)c(N2CCCC2)cc1C ZINC000107575939 564129962 /nfs/dbraw/zinc/12/99/62/564129962.db2.gz PPPXZSROFHCZPH-WSDLNYQXSA-N 0 0 330.834 5.447 40 30 EKEBRN COc1ccc(Oc2ccc(NC=C3CCCCCC3=O)cc2)cc1 ZINC000107650831 564129957 /nfs/dbraw/zinc/12/99/57/564129957.db2.gz XAVHTANKTLKVBO-FOCLMDBBSA-N 0 0 337.419 5.317 40 30 EKEBRN CCOc1cccc(NC=CC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000107848613 564129998 /nfs/dbraw/zinc/12/99/98/564129998.db2.gz GSOMGRQQMOEIQJ-FOCLMDBBSA-N 0 0 343.426 5.561 40 30 EKEBRN CC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(F)c(C)c1 ZINC000107935561 564130003 /nfs/dbraw/zinc/13/00/03/564130003.db2.gz BPHDGNHSTKPAPR-ZRDIBKRKSA-N 0 0 348.215 5.095 40 30 EKEBRN CCOc1cccc(NC=CC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000107950152 564130001 /nfs/dbraw/zinc/13/00/01/564130001.db2.gz RAHMADOVGUMSRN-CMDGGOBGSA-N 0 0 336.218 5.201 40 30 EKEBRN COc1ccc(Cl)cc1/N=C/c1cc(F)c(N2CCCC2)cc1C ZINC000107959879 564129976 /nfs/dbraw/zinc/12/99/76/564129976.db2.gz BZQHRXVAUZGLPO-WSDLNYQXSA-N 0 0 346.833 5.147 40 30 EKEBRN COc1ccccc1Oc1ccc(/N=C/c2cc(C)c(O)c(C)c2)cc1 ZINC000108336113 564129987 /nfs/dbraw/zinc/12/99/87/564129987.db2.gz PZHKMOXEXWJWKO-OEAKJJBVSA-N 0 0 347.414 5.561 40 30 EKEBRN CCCCCCCCCCCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000108519850 564016090 /nfs/dbraw/zinc/01/60/90/564016090.db2.gz HYPIEROWBMINSO-UHFFFAOYSA-N 0 0 343.433 6.565 40 30 EKEBRN Cc1cc(N2CCCC2)c(F)cc1/C=N\c1ccc(C(C)(C)C)cc1 ZINC000109647586 564129992 /nfs/dbraw/zinc/12/99/92/564129992.db2.gz NLDUYBMLSZXGEY-IWIPYMOSSA-N 0 0 338.470 5.782 40 30 EKEBRN Clc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000109838680 564129997 /nfs/dbraw/zinc/12/99/97/564129997.db2.gz NZELELWJNGIZEL-MFKUBSTISA-N 0 0 349.905 6.558 40 30 EKEBRN Cc1cc(N2CCCC2)c(F)cc1/C=N\c1ccc2ccccc2c1 ZINC000109896600 564130024 /nfs/dbraw/zinc/13/00/24/564130024.db2.gz WRLLKEIRJZSNCU-IWIPYMOSSA-N 0 0 332.422 5.638 40 30 EKEBRN O/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000110425392 220034847 /nfs/dbraw/zinc/03/48/47/220034847.db2.gz CFRAKHMKYRWUSO-WSVATBPTSA-N 0 0 330.598 5.034 40 30 EKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/C=C\c3ccccc3)sc2C1 ZINC000111074244 564130026 /nfs/dbraw/zinc/13/00/26/564130026.db2.gz IVFVIKAGXCYQCC-NTICPOCESA-N 0 0 348.515 6.186 40 30 EKEBRN CCCCC/C=C\C/C=C\CCCCCCCCOS(C)(=O)=O ZINC000113216903 564134392 /nfs/dbraw/zinc/13/43/92/564134392.db2.gz JJFLSSAGKSQEHW-NQLNTKRDSA-N 0 0 344.561 5.776 40 30 EKEBRN C=CCOc1ccc(CNc2ccc(Cl)cc2Cl)cc1OC ZINC000113394843 220534167 /nfs/dbraw/zinc/53/41/67/220534167.db2.gz UJNMVCBRIXVOKA-UHFFFAOYSA-N 0 0 338.234 5.179 40 30 EKEBRN CC(=O)c1ccc(-c2ccc(C=C3Sc4ccccc4C3=O)o2)cc1 ZINC000113856773 564019751 /nfs/dbraw/zinc/01/97/51/564019751.db2.gz MHKRQCWTOCBJBQ-NDENLUEZSA-N 0 0 346.407 5.479 40 30 EKEBRN Clc1cccc(-c2ccc(C=NNc3ccccc3)o2)c1Cl ZINC000113860575 257859292 /nfs/dbraw/zinc/85/92/92/257859292.db2.gz PTEFCKBYIACNOA-RGVLZGJSSA-N 0 0 331.202 5.699 40 30 EKEBRN CCOC(=O)c1cccc(-c2ccc(/C=C/C(=O)c3ccccc3)o2)c1 ZINC000113864900 564019744 /nfs/dbraw/zinc/01/97/44/564019744.db2.gz DFVPPYJTFYRLPU-ACCUITESSA-N 0 0 346.382 5.019 40 30 EKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@@]2(O)C#CCl ZINC000118914835 221203684 /nfs/dbraw/zinc/20/36/84/221203684.db2.gz WJYFACPYOCRQPX-URNIPBEBSA-N 0 0 334.931 5.350 40 30 EKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC[C@@]2(O)C#CCl ZINC000118914836 221203094 /nfs/dbraw/zinc/20/30/94/221203094.db2.gz WJYFACPYOCRQPX-GCOKGBOCSA-N 0 0 334.931 5.350 40 30 EKEBRN C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118914857 221203501 /nfs/dbraw/zinc/20/35/01/221203501.db2.gz IVXCPPFOKIYBRE-WNGCJKCESA-N 0 0 328.540 5.420 40 30 EKEBRN CCCO[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118915147 221203246 /nfs/dbraw/zinc/20/32/46/221203246.db2.gz BLNQANGFOGHVAO-WLNPFYQQSA-N 0 0 330.512 5.314 40 30 EKEBRN CC(C)/C=C1\C[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1=O ZINC000118916341 221203507 /nfs/dbraw/zinc/20/35/07/221203507.db2.gz QCPOUGYGVCEUFB-UGSQQPQZSA-N 0 0 328.540 6.181 40 30 EKEBRN CC(C)/C=C1\C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1=O ZINC000118916342 221203590 /nfs/dbraw/zinc/20/35/90/221203590.db2.gz QCPOUGYGVCEUFB-IWRDOLAWSA-N 0 0 328.540 6.181 40 30 EKEBRN CC(=O)[C@]1(C)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118916938 221203020 /nfs/dbraw/zinc/20/30/20/221203020.db2.gz HCFSGRMEEXUOSS-DEDMPRLZSA-N 0 0 340.507 5.280 40 30 EKEBRN C[C@@]1([C@H]2CC[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)CO1 ZINC000118918045 221203004 /nfs/dbraw/zinc/20/30/04/221203004.db2.gz NDJUVJCBLCBNQW-FNCBCKFASA-N 0 0 330.512 5.003 40 30 EKEBRN C[C@@]1([C@H]2CC[C@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)CO1 ZINC000118918046 563866276 /nfs/dbraw/zinc/86/62/76/563866276.db2.gz NDJUVJCBLCBNQW-AJWYFOLQSA-N 0 0 330.512 5.003 40 30 EKEBRN C[C@]1([C@H]2CC[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)CO1 ZINC000118918047 204614399 /nfs/dbraw/zinc/61/43/99/204614399.db2.gz NDJUVJCBLCBNQW-DYDGGYCISA-N 0 0 330.512 5.003 40 30 EKEBRN C[C@]1([C@H]2CC[C@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)CO1 ZINC000118918048 221203471 /nfs/dbraw/zinc/20/34/71/221203471.db2.gz NDJUVJCBLCBNQW-PMDRVGQRSA-N 0 0 330.512 5.003 40 30 EKEBRN CCC[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@]5(CO5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118918385 221204527 /nfs/dbraw/zinc/20/45/27/221204527.db2.gz BDIOFUIBSDCUQC-QGZPSTLZSA-N 0 0 346.555 5.329 40 30 EKEBRN CCC[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@]5(CO5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118918386 221204267 /nfs/dbraw/zinc/20/42/67/221204267.db2.gz BDIOFUIBSDCUQC-RHCGTSLQSA-N 0 0 346.555 5.329 40 30 EKEBRN C/C(=N/O)C1=CC[C@H]2[C@@H]3CC[C@H]4C/C(=N\O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118918778 221204248 /nfs/dbraw/zinc/20/42/48/221204248.db2.gz QPVTWJVYONZWBL-WDJAANKFSA-N 0 0 344.499 5.246 40 30 EKEBRN C=C1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118925479 564025061 /nfs/dbraw/zinc/02/50/61/564025061.db2.gz DPCZMRQCEHNJJR-QZKGNRECSA-N 0 0 328.496 5.437 40 30 EKEBRN C=C1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118925481 257856863 /nfs/dbraw/zinc/85/68/63/257856863.db2.gz DPCZMRQCEHNJJR-LLTZGFESSA-N 0 0 328.496 5.437 40 30 EKEBRN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2c1c[nH]cn1 ZINC000118931889 221205567 /nfs/dbraw/zinc/20/55/67/221205567.db2.gz HCHICBFLKPOSSV-BLQWBTBKSA-N 0 0 338.495 5.025 40 30 EKEBRN C#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 ZINC000118933846 221205120 /nfs/dbraw/zinc/20/51/20/221205120.db2.gz GJPBKKSNBJBHEI-IJMQKCTASA-N 0 0 336.466 5.029 40 30 EKEBRN C#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 ZINC000118933847 221205216 /nfs/dbraw/zinc/20/52/16/221205216.db2.gz GJPBKKSNBJBHEI-LFGUEBOJSA-N 0 0 336.466 5.029 40 30 EKEBRN C#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 ZINC000118933848 221205101 /nfs/dbraw/zinc/20/51/01/221205101.db2.gz GJPBKKSNBJBHEI-PAPWGAKMSA-N 0 0 336.466 5.029 40 30 EKEBRN C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C(C)(C)C(O)=C(C=O)C[C@]3(C)[C@H]1CC2 ZINC000118934817 221206363 /nfs/dbraw/zinc/20/63/63/221206363.db2.gz VNXWQBNQVCQUSW-SVHSUXPPSA-N 0 0 330.512 5.676 40 30 EKEBRN CC(=O)[C@H]1[C@@H](C)C[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118935111 221205893 /nfs/dbraw/zinc/20/58/93/221205893.db2.gz KMGUZSMFRZSYPE-VABCHXRSSA-N 0 0 342.523 5.216 40 30 EKEBRN CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118935112 204616671 /nfs/dbraw/zinc/61/66/71/204616671.db2.gz KMGUZSMFRZSYPE-BRGMHITCSA-N 0 0 342.523 5.216 40 30 EKEBRN CC(=O)[C@H]1[C@@H](C)C[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118935113 221206074 /nfs/dbraw/zinc/20/60/74/221206074.db2.gz KMGUZSMFRZSYPE-GVTMYGEHSA-N 0 0 342.523 5.216 40 30 EKEBRN C#C[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CC[C@@H]4CC=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118935617 221205916 /nfs/dbraw/zinc/20/59/16/221205916.db2.gz SQRBBVVZRKZEPF-HPTKSSEUSA-N 0 0 340.507 5.130 40 30 EKEBRN Cc1cc(/C=N/c2ccccc2)c(C)n1-c1ccc2ncccc2c1 ZINC000137446755 564130022 /nfs/dbraw/zinc/13/00/22/564130022.db2.gz VFUNCQVYPGWLDK-BUVRLJJBSA-N 0 0 325.415 5.393 40 30 EKEBRN CC[C@@H](C)c1ccc(/N=C/c2cccn2-c2ccc(OC)cc2)cc1 ZINC000137486368 564130023 /nfs/dbraw/zinc/13/00/23/564130023.db2.gz BDYBODUBXLJIQU-BXDFRRGMSA-N 0 0 332.447 5.750 40 30 EKEBRN CC[C@H](C)c1ccc(/N=C/c2cccn2-c2ccc(OC)cc2)cc1 ZINC000137486446 564130013 /nfs/dbraw/zinc/13/00/13/564130013.db2.gz BDYBODUBXLJIQU-CSUZIONRSA-N 0 0 332.447 5.750 40 30 EKEBRN CCc1ccc(/N=C/c2cc(C)n(-c3c(C)cccc3CC)c2C)cc1 ZINC000137779048 564130029 /nfs/dbraw/zinc/13/00/29/564130029.db2.gz YNBZGMIZZLTJKN-PCLIKHOPSA-N 0 0 344.502 6.278 40 30 EKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(F)cc3)c2C)cc1 ZINC000137832339 564130050 /nfs/dbraw/zinc/13/00/50/564130050.db2.gz CPEIWIZXHBCIRN-OEAKJJBVSA-N 0 0 336.410 5.383 40 30 EKEBRN CC(C)c1ccc(/N=C/c2cccn2-c2ccc(N(C)C)cc2)cc1 ZINC000140629400 564130038 /nfs/dbraw/zinc/13/00/38/564130038.db2.gz WDNHXTSVKHRIKK-XQNSMLJCSA-N 0 0 331.463 5.417 40 30 EKEBRN Cc1cc(/C=N/c2cccc(F)c2)c(C)n1-c1ccc2ncccc2c1 ZINC000140802655 564130068 /nfs/dbraw/zinc/13/00/68/564130068.db2.gz JGYZFMFGIRDEFS-AFUMVMLFSA-N 0 0 343.405 5.532 40 30 EKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/c2cccc(F)c2)c1C ZINC000140921585 564130057 /nfs/dbraw/zinc/13/00/57/564130057.db2.gz CPLYAWPQDFBIJA-ZVHZXABRSA-N 0 0 334.438 5.855 40 30 EKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(C#N)cc2)c1C ZINC000143815073 564130058 /nfs/dbraw/zinc/13/00/58/564130058.db2.gz WTZCPEQRSXXRAY-MFKUBSTISA-N 0 0 341.458 5.587 40 30 EKEBRN COc1ccc(/N=C/c2ccc(N3CCCCC3)cc2)cc1Cl ZINC000143829978 564035293 /nfs/dbraw/zinc/03/52/93/564035293.db2.gz GFIPQHHMFXMNQQ-KGENOOAVSA-N 0 0 328.843 5.090 40 30 EKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2ccccc2OC)c1C ZINC000144074087 564130067 /nfs/dbraw/zinc/13/00/67/564130067.db2.gz QVNDLVOVVGBJEX-HZHRSRAPSA-N 0 0 332.447 5.416 40 30 EKEBRN CCCCCCCCCCCC(=O)OC12CC3CC(CC(C3)C1)C2 ZINC000145810982 564130071 /nfs/dbraw/zinc/13/00/71/564130071.db2.gz YLYDLTZRJVWTRM-UHFFFAOYSA-N 0 0 334.544 6.419 40 30 EKEBRN C=CCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)cc2F)cc1 ZINC000149311030 564090307 /nfs/dbraw/zinc/09/03/07/564090307.db2.gz ZSAVFSVJKKYWBQ-UHFFFAOYSA-N 0 0 344.473 7.231 40 30 EKEBRN Cc1cc(/C=N/c2ccc(F)cc2)c(C)n1-c1ccc2ncccc2c1 ZINC000149918258 564130063 /nfs/dbraw/zinc/13/00/63/564130063.db2.gz HWRHKAWCCZBQMK-AFUMVMLFSA-N 0 0 343.405 5.532 40 30 EKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(C)c(C)c2)c1C ZINC000164317244 564130059 /nfs/dbraw/zinc/13/00/59/564130059.db2.gz HUUMTLAPBXLFCD-BUVRLJJBSA-N 0 0 330.475 6.024 40 30 EKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(F)c(C)c2)c1C ZINC000165167400 564130060 /nfs/dbraw/zinc/13/00/60/564130060.db2.gz MWLYXLDZTCIJED-ZVHZXABRSA-N 0 0 334.438 5.855 40 30 EKEBRN CC(C)c1ccccc1/N=C/c1cccn1-c1ccc(N(C)C)cc1 ZINC000165554173 564130069 /nfs/dbraw/zinc/13/00/69/564130069.db2.gz UTWUJFJHEKIOLP-XQNSMLJCSA-N 0 0 331.463 5.417 40 30 EKEBRN CCCCc1ccc(/N=C/c2cccn2-c2ccc(OC)cc2)cc1 ZINC000165749396 564130064 /nfs/dbraw/zinc/13/00/64/564130064.db2.gz UJJDDJVLTBGEKI-HAVVHWLPSA-N 0 0 332.447 5.579 40 30 EKEBRN Cc1cc(/C=N/c2ccc(C)cc2)c(C)n1-c1ccc2ncccc2c1 ZINC000166118245 564130065 /nfs/dbraw/zinc/13/00/65/564130065.db2.gz RQUKMMSLHPODNJ-MFKUBSTISA-N 0 0 339.442 5.701 40 30 EKEBRN CCCCCCCC/C=C/C/C=C/C/C=C/CCCC(=O)NCCO ZINC000195804477 564035361 /nfs/dbraw/zinc/03/53/61/564035361.db2.gz YKGQBEGMUSSPFY-WYTUUNCASA-N 0 0 349.559 5.465 40 30 EKEBRN C=CC/C(C#C[Si](C)(C)C)=C(\C#Cc1ccccc1)[Si](C)(C)C ZINC000197882128 564124720 /nfs/dbraw/zinc/12/47/20/564124720.db2.gz BAUCQYGIFGWPKI-MRCUWXFGSA-N 0 0 336.627 5.669 40 30 EKEBRN COc1ccccc1/N=C/c1cc2c(cc1C)N(C)C(C)(C)C[C@H]2C ZINC000198076998 564130082 /nfs/dbraw/zinc/13/00/82/564130082.db2.gz VWKUZFRSCIIJNL-BRABVMKYSA-N 0 0 336.479 5.476 40 30 EKEBRN COc1ccccc1/N=C/c1cc2c(cc1C)N(C)C(C)(C)C[C@@H]2C ZINC000198077003 241035676 /nfs/dbraw/zinc/03/56/76/241035676.db2.gz VWKUZFRSCIIJNL-YQCVNYCESA-N 0 0 336.479 5.476 40 30 EKEBRN CC(C)c1ccc(/N=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)cc1 ZINC000198078091 241035835 /nfs/dbraw/zinc/03/58/35/241035835.db2.gz SSKIKCQKHGFNFP-HIQXPHMNSA-N 0 0 334.507 6.283 40 30 EKEBRN CC(C)c1ccc(/N=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)cc1 ZINC000198078097 241035083 /nfs/dbraw/zinc/03/50/83/241035083.db2.gz SSKIKCQKHGFNFP-SYXCRGJESA-N 0 0 334.507 6.283 40 30 EKEBRN CC(=O)Nc1ccc(/N=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)cc1 ZINC000198078179 241034810 /nfs/dbraw/zinc/03/48/10/241034810.db2.gz KOUNPYYQGPXTRY-QKIXXSFTSA-N 0 0 349.478 5.118 40 30 EKEBRN CC(=O)Nc1ccc(/N=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)cc1 ZINC000198078186 241034061 /nfs/dbraw/zinc/03/40/61/241034061.db2.gz KOUNPYYQGPXTRY-FVQJWRHTSA-N 0 0 349.478 5.118 40 30 EKEBRN Cc1cc2c(cc1/C=N/c1ccc(C(C)C)cc1)[C@H](C)CC(C)(C)N2C ZINC000198080154 241036135 /nfs/dbraw/zinc/03/61/35/241036135.db2.gz IUIDARHMPZOUAW-BFTFCADCSA-N 0 0 348.534 6.591 40 30 EKEBRN Cc1cc2c(cc1/C=N/c1ccc(C(C)C)cc1)[C@@H](C)CC(C)(C)N2C ZINC000198080161 241034868 /nfs/dbraw/zinc/03/48/68/241034868.db2.gz IUIDARHMPZOUAW-BIKZULFDSA-N 0 0 348.534 6.591 40 30 EKEBRN CCc1ccc(/N=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)cc1 ZINC000198080237 241035937 /nfs/dbraw/zinc/03/59/37/241035937.db2.gz MNGBHWCAQFYWDP-SYXCRGJESA-N 0 0 334.507 6.030 40 30 EKEBRN CCc1ccc(/N=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)cc1 ZINC000198080244 564130079 /nfs/dbraw/zinc/13/00/79/564130079.db2.gz MNGBHWCAQFYWDP-HIQXPHMNSA-N 0 0 334.507 6.030 40 30 EKEBRN C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccccc3)cc21 ZINC000198083412 241034750 /nfs/dbraw/zinc/03/47/50/241034750.db2.gz IBLABBFGFVCVPH-CYGNYLSHSA-N 0 0 326.871 5.813 40 30 EKEBRN C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccccc3)cc21 ZINC000198083424 241034087 /nfs/dbraw/zinc/03/40/87/241034087.db2.gz IBLABBFGFVCVPH-KOUDTOEKSA-N 0 0 326.871 5.813 40 30 EKEBRN Cc1ccc(/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)cc1 ZINC000198083874 241034409 /nfs/dbraw/zinc/03/44/09/241034409.db2.gz OTFSPPJYQJOANP-LUILSVGHSA-N 0 0 340.898 6.121 40 30 EKEBRN Cc1ccc(/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)cc1 ZINC000198083885 564130081 /nfs/dbraw/zinc/13/00/81/564130081.db2.gz OTFSPPJYQJOANP-LJGKHRNASA-N 0 0 340.898 6.121 40 30 EKEBRN C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(F)cc3)cc21 ZINC000198084795 241035451 /nfs/dbraw/zinc/03/54/51/241035451.db2.gz ZHRCJIKMHFOALW-GHONEHJGSA-N 0 0 344.861 5.952 40 30 EKEBRN C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(F)cc3)cc21 ZINC000198084806 241034979 /nfs/dbraw/zinc/03/49/79/241034979.db2.gz ZHRCJIKMHFOALW-ZXCVBSDHSA-N 0 0 344.861 5.952 40 30 EKEBRN CCN1c2ccc(/C=N/c3ccccc3OC)cc2[C@H](C)CC1(C)C ZINC000198094652 564130078 /nfs/dbraw/zinc/13/00/78/564130078.db2.gz AQUXSRNZVQJPQS-LGVXEURYSA-N 0 0 336.479 5.558 40 30 EKEBRN CCN1c2ccc(/C=N/c3ccccc3OC)cc2[C@@H](C)CC1(C)C ZINC000198094663 241036105 /nfs/dbraw/zinc/03/61/05/241036105.db2.gz AQUXSRNZVQJPQS-PFRBSUFTSA-N 0 0 336.479 5.558 40 30 EKEBRN CCc1ccc(/N=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3CC)cc1 ZINC000198096703 241035284 /nfs/dbraw/zinc/03/52/84/241035284.db2.gz CROKOOKVTBMMIM-MXJLDLDKSA-N 0 0 334.507 6.112 40 30 EKEBRN CCc1ccc(/N=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3CC)cc1 ZINC000198096713 241035846 /nfs/dbraw/zinc/03/58/46/241035846.db2.gz CROKOOKVTBMMIM-FLVDCRJSSA-N 0 0 334.507 6.112 40 30 EKEBRN CCN1c2cc(C)c(/C=N/c3ccc(C)cc3)cc2[C@H](C)CC1(C)C ZINC000198099316 564130074 /nfs/dbraw/zinc/13/00/74/564130074.db2.gz ONZWYFZWZWTUJF-LSPPGFKNSA-N 0 0 334.507 6.166 40 30 EKEBRN CCN1c2cc(C)c(/C=N/c3ccc(C)cc3)cc2[C@@H](C)CC1(C)C ZINC000198099325 535785233 /nfs/dbraw/zinc/78/52/33/535785233.db2.gz ONZWYFZWZWTUJF-WORIPGKHSA-N 0 0 334.507 6.166 40 30 EKEBRN CCN1c2ccc(/C=N/c3ccc(C(C)C)cc3)cc2[C@H](C)CC1(C)C ZINC000198100374 564130080 /nfs/dbraw/zinc/13/00/80/564130080.db2.gz NTRWRIBRDVZOAE-OAKZWBAKSA-N 0 0 348.534 6.673 40 30 EKEBRN CCN1c2ccc(/C=N/c3ccc(C(C)C)cc3)cc2[C@@H](C)CC1(C)C ZINC000198100384 241036700 /nfs/dbraw/zinc/03/67/00/241036700.db2.gz NTRWRIBRDVZOAE-LEBHPONQSA-N 0 0 348.534 6.673 40 30 EKEBRN CCN1c2cc(C)c(/C=N/c3ccc(O)cc3)cc2[C@H](C)CC1(C)C ZINC000198100681 564130075 /nfs/dbraw/zinc/13/00/75/564130075.db2.gz IDDMCQZVLOBGHQ-BRABVMKYSA-N 0 0 336.479 5.563 40 30 EKEBRN CCN1c2cc(C)c(/C=N/c3ccc(O)cc3)cc2[C@@H](C)CC1(C)C ZINC000198100692 535785148 /nfs/dbraw/zinc/78/51/48/535785148.db2.gz IDDMCQZVLOBGHQ-YQCVNYCESA-N 0 0 336.479 5.563 40 30 EKEBRN CCN1c2cc(C)c(/C=N/c3ccc(F)cc3)cc2[C@H](C)CC1(C)C ZINC000198102064 564130083 /nfs/dbraw/zinc/13/00/83/564130083.db2.gz GGNQZRGFGDJYPL-HUSFYUSLSA-N 0 0 338.470 5.997 40 30 EKEBRN CCN1c2cc(C)c(/C=N/c3ccc(F)cc3)cc2[C@@H](C)CC1(C)C ZINC000198102076 535785031 /nfs/dbraw/zinc/78/50/31/535785031.db2.gz GGNQZRGFGDJYPL-GCMSVZMUSA-N 0 0 338.470 5.997 40 30 EKEBRN CCc1ccc(/N=C/c2cc3c(cc2C)N(CC)C(C)(C)C[C@@H]3C)cc1 ZINC000198102551 241038243 /nfs/dbraw/zinc/03/82/43/241038243.db2.gz VGGZYDKXSKBZOP-LEBHPONQSA-N 0 0 348.534 6.420 40 30 EKEBRN CCc1ccc(/N=C/c2cc3c(cc2C)N(CC)C(C)(C)C[C@H]3C)cc1 ZINC000198102567 564130073 /nfs/dbraw/zinc/13/00/73/564130073.db2.gz VGGZYDKXSKBZOP-OAKZWBAKSA-N 0 0 348.534 6.420 40 30 EKEBRN CC(=O)Nc1ccc(/N=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1 ZINC000198146752 241037862 /nfs/dbraw/zinc/03/78/62/241037862.db2.gz RUJVTEOXZLJQAR-OEAKJJBVSA-N 0 0 347.462 5.027 40 30 EKEBRN CC1=CC(C)(C)N(C)c2ccc(/C=N/c3ccc(C(C)C)cc3)cc21 ZINC000198147460 241037255 /nfs/dbraw/zinc/03/72/55/241037255.db2.gz YJQMPKASFUFMNN-BUVRLJJBSA-N 0 0 332.491 6.192 40 30 EKEBRN Cc1cc2c(cc1/C=N/c1ccc(C(C)C)cc1)C(C)=CC(C)(C)N2C ZINC000198150330 241037962 /nfs/dbraw/zinc/03/79/62/241037962.db2.gz HXQHKCMUCOIILM-MFKUBSTISA-N 0 0 346.518 6.501 40 30 EKEBRN CCc1ccc(/N=C/c2cc3c(cc2C)N(C)C(C)(C)C=C3C)cc1 ZINC000198150695 241037475 /nfs/dbraw/zinc/03/74/75/241037475.db2.gz WJMABIWMAPKARD-BUVRLJJBSA-N 0 0 332.491 5.940 40 30 EKEBRN CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(O)cc3)cc21 ZINC000198150750 241037227 /nfs/dbraw/zinc/03/72/27/241037227.db2.gz AELSBUKQYCEUQX-WSDLNYQXSA-N 0 0 340.854 5.428 40 30 EKEBRN CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(F)cc3)cc21 ZINC000198151575 241036647 /nfs/dbraw/zinc/03/66/47/241036647.db2.gz SNGSGQUISUORNG-FSJBWODESA-N 0 0 342.845 5.861 40 30 EKEBRN Cc1ccc(/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1 ZINC000198152363 241037434 /nfs/dbraw/zinc/03/74/34/241037434.db2.gz GPJJZLRXMHGYKG-YDZHTSKRSA-N 0 0 338.882 6.031 40 30 EKEBRN CCN1c2ccc(/C=N/c3ccccc3OC)cc2C(C)=CC1(C)C ZINC000198159162 241038077 /nfs/dbraw/zinc/03/80/77/241038077.db2.gz KNKNOXVMTBZCRK-HZHRSRAPSA-N 0 0 334.463 5.468 40 30 EKEBRN CCN1c2cc(C)c(/C=N/c3ccccc3OC)cc2C(C)=CC1(C)C ZINC000198159428 535785215 /nfs/dbraw/zinc/78/52/15/535785215.db2.gz QGKJXFKTLMRYHF-BUVRLJJBSA-N 0 0 348.490 5.776 40 30 EKEBRN CCN1c2ccc(/C=N/c3ccc(C(C)C)cc3)cc2C(C)=CC1(C)C ZINC000198160158 241037035 /nfs/dbraw/zinc/03/70/35/241037035.db2.gz ONDOWLHMJPKSKE-PCLIKHOPSA-N 0 0 346.518 6.582 40 30 EKEBRN CCc1ccc(/N=C/c2ccc3c(c2)C(C)=CC(C)(C)N3CC)cc1 ZINC000198160324 241037563 /nfs/dbraw/zinc/03/75/63/241037563.db2.gz IEEGTWQFDLGWNS-LFVJCYFKSA-N 0 0 332.491 6.021 40 30 EKEBRN CCN1c2cc(C)c(/C=N/c3ccc(O)cc3)cc2C(C)=CC1(C)C ZINC000198160441 535784977 /nfs/dbraw/zinc/78/49/77/535784977.db2.gz SQUIWBKVYBTOOT-OEAKJJBVSA-N 0 0 334.463 5.473 40 30 EKEBRN CCN1c2cc(C)c(/C=N/c3ccc(F)cc3)cc2C(C)=CC1(C)C ZINC000198161318 535785226 /nfs/dbraw/zinc/78/52/26/535785226.db2.gz MYLUWPQDCNIZQI-ZVHZXABRSA-N 0 0 336.454 5.907 40 30 EKEBRN CCc1ccc(/N=C/c2cc3c(cc2C)N(CC)C(C)(C)C=C3C)cc1 ZINC000198161545 241036983 /nfs/dbraw/zinc/03/69/83/241036983.db2.gz VVNPKYSCSVKSHW-PCLIKHOPSA-N 0 0 346.518 6.330 40 30 EKEBRN CCN1c2cc(C)c(/C=N/c3ccc(C)cc3)cc2C(C)=CC1(C)C ZINC000198162020 535785217 /nfs/dbraw/zinc/78/52/17/535785217.db2.gz DOOGNIGHVJRPKQ-BUVRLJJBSA-N 0 0 332.491 6.076 40 30 EKEBRN CCCCCCCCCCCCCCC[C@H](NN)c1ccccc1 ZINC000199538082 564118120 /nfs/dbraw/zinc/11/81/20/564118120.db2.gz ZUNHWNWCULNPRP-QFIPXVFZSA-N 0 0 332.576 6.672 40 30 EKEBRN CCCCCCCCCCCCCCC[C@@H](NN)c1ccccc1 ZINC000199538097 564118119 /nfs/dbraw/zinc/11/81/19/564118119.db2.gz ZUNHWNWCULNPRP-JOCHJYFZSA-N 0 0 332.576 6.672 40 30 EKEBRN C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(C=[NH+][N-]c3ccccc3)cc21 ZINC000208246541 241067165 /nfs/dbraw/zinc/06/71/65/241067165.db2.gz OQULYCYENRQZJZ-CYGNYLSHSA-N 0 0 341.886 5.508 40 30 EKEBRN C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(C=[NH+][N-]c3ccccc3)cc21 ZINC000208246578 241067286 /nfs/dbraw/zinc/06/72/86/241067286.db2.gz OQULYCYENRQZJZ-KOUDTOEKSA-N 0 0 341.886 5.508 40 30 EKEBRN CC1=CC(C)(C)N(C)c2cc(Cl)c(C=[NH+][N-]c3ccccc3)cc21 ZINC000208459998 241068714 /nfs/dbraw/zinc/06/87/14/241068714.db2.gz ZOFKDGDFBSXSOS-LPYMAVHISA-N 0 0 339.870 5.418 40 30 EKEBRN CCN1c2cc(C)c(C=[NH+][N-]c3ccccc3)cc2C(C)=CC1(C)C ZINC000208510375 535784919 /nfs/dbraw/zinc/78/49/19/535784919.db2.gz DNXFMDQCQWLPTL-HZHRSRAPSA-N 0 0 333.479 5.463 40 30 EKEBRN O=C(/C=C\c1c(F)cccc1Cl)c1cccc(Br)c1 ZINC000210286818 564034546 /nfs/dbraw/zinc/03/45/46/564034546.db2.gz RQFZXXBGKUWJGK-FPLPWBNLSA-N 0 0 339.591 5.138 40 30 EKEBRN C=CCOC(=O)c1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000216792428 241213722 /nfs/dbraw/zinc/21/37/22/241213722.db2.gz XNHKFCDCYCRGCX-UHFFFAOYSA-N 0 0 348.185 5.144 40 30 EKEBRN C=CCOC(=O)c1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 ZINC000216795682 241213697 /nfs/dbraw/zinc/21/36/97/241213697.db2.gz FEURAGSUEUSOFR-UHFFFAOYSA-N 0 0 348.185 5.144 40 30 EKEBRN O/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000216811595 241212828 /nfs/dbraw/zinc/21/28/28/241212828.db2.gz JPSOPAAFFKYZRA-WSVATBPTSA-N 0 0 330.598 5.034 40 30 EKEBRN O/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000216848738 241214881 /nfs/dbraw/zinc/21/48/81/241214881.db2.gz NNNUELREXSCESX-CNHKJKLMSA-N 0 0 330.598 5.034 40 30 EKEBRN O/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000216848781 241216195 /nfs/dbraw/zinc/21/61/95/241216195.db2.gz UTBBZZSPMLWLJT-CNHKJKLMSA-N 0 0 330.598 5.034 40 30 EKEBRN O/N=C/c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Cl)c1 ZINC000216849034 241216387 /nfs/dbraw/zinc/21/63/87/241216387.db2.gz RPFUYGCITVSKPL-KPSZGOFPSA-N 0 0 348.588 5.173 40 30 EKEBRN N#Cc1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Cl)c1 ZINC000216849078 241216500 /nfs/dbraw/zinc/21/65/00/241216500.db2.gz GJUFWZTWYQTVCK-UHFFFAOYSA-N 0 0 330.573 5.237 40 30 EKEBRN N#Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000216849285 241214419 /nfs/dbraw/zinc/21/44/19/241214419.db2.gz NXBJKZHJUCOFTC-UHFFFAOYSA-N 0 0 347.028 5.751 40 30 EKEBRN O/N=C\c1cc(Cl)c(OCc2cccc3ccccc32)c(Cl)c1 ZINC000216852386 241215494 /nfs/dbraw/zinc/21/54/94/241215494.db2.gz IMMRWCYTYVZQRY-FBHDLOMBSA-N 0 0 346.213 5.534 40 30 EKEBRN N#Cc1cc(Cl)c(OCc2cccc3ccccc32)c(Cl)c1 ZINC000216852425 241214320 /nfs/dbraw/zinc/21/43/20/241214320.db2.gz UULPEFUMVQPOEN-UHFFFAOYSA-N 0 0 328.198 5.597 40 30 EKEBRN N#Cc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000216853702 241215641 /nfs/dbraw/zinc/21/56/41/241215641.db2.gz SNFKYZHOMOHYQF-UHFFFAOYSA-N 0 0 347.028 5.751 40 30 EKEBRN C=CCOC(=O)/C=C/c1ccc(OCc2cccc3ccccc32)cc1 ZINC000216887918 241217827 /nfs/dbraw/zinc/21/78/27/241217827.db2.gz LXKGHNJNSBWLBR-NTCAYCPXSA-N 0 0 344.410 5.161 40 30 EKEBRN C=CCOC(=O)c1cc(-c2ccc3ccccc3c2)nc2ccccc21 ZINC000216941535 241224921 /nfs/dbraw/zinc/22/49/21/241224921.db2.gz ZRQFVLAKMJMMGJ-UHFFFAOYSA-N 0 0 339.394 5.398 40 30 EKEBRN C=CCOC(=O)c1cc(-c2cccc3ccccc32)nc2ccccc21 ZINC000216941618 241225158 /nfs/dbraw/zinc/22/51/58/241225158.db2.gz JREWRLYIXMCPJX-UHFFFAOYSA-N 0 0 339.394 5.398 40 30 EKEBRN N#Cc1ccc2ccn(C(=O)c3cccc4c(Cl)cccc34)c2c1 ZINC000216961369 241228031 /nfs/dbraw/zinc/22/80/31/241228031.db2.gz FNRRZXLHBYSZSY-UHFFFAOYSA-N 0 0 330.774 5.008 40 30 EKEBRN N#Cc1ccc2c(ccn2C(=O)c2cccc3c(Cl)cccc23)c1 ZINC000216961385 241226819 /nfs/dbraw/zinc/22/68/19/241226819.db2.gz YITZLLCNWWXVDN-UHFFFAOYSA-N 0 0 330.774 5.008 40 30 EKEBRN C[C@@]12C[C@H]3C[C@@H](C1)C[C@](C/N=C/c1c(O)ccc4ccccc41)(C3)C2 ZINC000217557237 241259085 /nfs/dbraw/zinc/25/90/85/241259085.db2.gz FHOMMXBZDRGRMN-JCUJMBSESA-N 0 0 333.475 5.571 40 30 EKEBRN Oc1ccc2ccccc2c1/C=N/C[C@@]12C[C@@H]3C[C@@H](C[C@@H](C3)C1)CC2 ZINC000217765751 241274641 /nfs/dbraw/zinc/27/46/41/241274641.db2.gz TYPJGUKCUWMYMK-WBPXPEFYSA-N 0 0 333.475 5.571 40 30 EKEBRN C=CCOc1ccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 ZINC000219638691 241399560 /nfs/dbraw/zinc/39/95/60/241399560.db2.gz GLVBQOUXGPINBD-INIZCTEOSA-N 0 0 337.463 5.040 40 30 EKEBRN C=CCOc1ccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 ZINC000219638767 564084123 /nfs/dbraw/zinc/08/41/23/564084123.db2.gz GLVBQOUXGPINBD-MRXNPFEDSA-N 0 0 337.463 5.040 40 30 EKEBRN C=C(C)COc1cccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)c1 ZINC000219790489 533517910 /nfs/dbraw/zinc/51/79/10/533517910.db2.gz NPKFWJHRHAEMQU-NRFANRHFSA-N 0 0 337.463 5.159 40 30 EKEBRN C=C(C)COc1cccc(C(=O)N[C@H](CC(C)C)c2ccccc2)c1 ZINC000219790556 564084186 /nfs/dbraw/zinc/08/41/86/564084186.db2.gz NPKFWJHRHAEMQU-OAQYLSRUSA-N 0 0 337.463 5.159 40 30 EKEBRN C=C(C)COc1cccc(C(=O)Nc2ccccc2SCC)c1 ZINC000219790931 564084158 /nfs/dbraw/zinc/08/41/58/564084158.db2.gz NEVORQNSWGWOKO-UHFFFAOYSA-N 0 0 327.449 5.006 40 30 EKEBRN C=C(C)COc1cccc(C(=O)N[C@@H](CC)c2ccc(C)c(C)c2)c1 ZINC000219793071 564084185 /nfs/dbraw/zinc/08/41/85/564084185.db2.gz CFDCQRMVOPJLGW-NRFANRHFSA-N 0 0 337.463 5.139 40 30 EKEBRN C=C(C)COc1cccc(C(=O)N[C@H](CC)c2ccc(C)c(C)c2)c1 ZINC000219793147 564084143 /nfs/dbraw/zinc/08/41/43/564084143.db2.gz CFDCQRMVOPJLGW-OAQYLSRUSA-N 0 0 337.463 5.139 40 30 EKEBRN C=C(C)COc1cccc(C(=O)N[C@@H](CC)c2ccc(C)cc2C)c1 ZINC000219793249 564084140 /nfs/dbraw/zinc/08/41/40/564084140.db2.gz FKRXOUVNKJDKLR-NRFANRHFSA-N 0 0 337.463 5.139 40 30 EKEBRN C=C(C)COc1cccc(C(=O)N[C@H](CC)c2ccc(C)cc2C)c1 ZINC000219793319 564084155 /nfs/dbraw/zinc/08/41/55/564084155.db2.gz FKRXOUVNKJDKLR-OAQYLSRUSA-N 0 0 337.463 5.139 40 30 EKEBRN C=CCSc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000219797612 564084189 /nfs/dbraw/zinc/08/41/89/564084189.db2.gz IOZIISMGZXEMDS-UHFFFAOYSA-N 0 0 337.366 5.236 40 30 EKEBRN C=CCSc1ccccc1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000219798016 564084181 /nfs/dbraw/zinc/08/41/81/564084181.db2.gz GTSPYAPJHVEKMK-UHFFFAOYSA-N 0 0 338.259 5.524 40 30 EKEBRN C=CCSc1ccccc1C(=O)Nc1cc(Cl)ccc1Cl ZINC000219798394 241408323 /nfs/dbraw/zinc/40/83/23/241408323.db2.gz RINVCKOIELBWOL-UHFFFAOYSA-N 0 0 338.259 5.524 40 30 EKEBRN C=CCSc1ccccc1C(=O)Nc1ccccc1C(F)(F)F ZINC000219801010 564084197 /nfs/dbraw/zinc/08/41/97/564084197.db2.gz IDJWIBNHAGTAQO-UHFFFAOYSA-N 0 0 337.366 5.236 40 30 EKEBRN C=CCSc1ccccc1C(=O)Nc1c(CC)cccc1CC ZINC000219804928 564084209 /nfs/dbraw/zinc/08/42/09/564084209.db2.gz UDFFRSVETCAXPR-UHFFFAOYSA-N 0 0 325.477 5.342 40 30 EKEBRN C=CCSc1ccccc1C(=O)Nc1c(C)cccc1C(C)C ZINC000219806410 564084211 /nfs/dbraw/zinc/08/42/11/564084211.db2.gz QZUJNZRBYGZHHZ-UHFFFAOYSA-N 0 0 325.477 5.649 40 30 EKEBRN C=CCSc1ccccc1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000219806585 564084216 /nfs/dbraw/zinc/08/42/16/564084216.db2.gz LZTWRKZPCOAZCX-UHFFFAOYSA-N 0 0 337.366 5.236 40 30 EKEBRN C=CCSc1ccccc1C(=O)Nc1ccc(CCCC)cc1 ZINC000219806849 564084190 /nfs/dbraw/zinc/08/41/90/564084190.db2.gz OQSHHGRKSIBPOS-UHFFFAOYSA-N 0 0 325.477 5.560 40 30 EKEBRN C=CCSc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000219807114 241411405 /nfs/dbraw/zinc/41/14/05/241411405.db2.gz VWFMIDOENRLJML-UHFFFAOYSA-N 0 0 338.259 5.524 40 30 EKEBRN C=CCSc1ccccc1C(=O)Nc1ccc(OC(C)C)cc1 ZINC000219807791 564084249 /nfs/dbraw/zinc/08/42/49/564084249.db2.gz SRULTTLIWNVACI-UHFFFAOYSA-N 0 0 327.449 5.004 40 30 EKEBRN C=CCSc1ccccc1C(=O)Nc1cccc(OC(C)C)c1 ZINC000219807905 564084230 /nfs/dbraw/zinc/08/42/30/564084230.db2.gz CMEVZQRURULMBY-UHFFFAOYSA-N 0 0 327.449 5.004 40 30 EKEBRN C=CCSc1ccccc1C(=O)N[C@@H](C)c1cc(C)ccc1C ZINC000219810972 564084238 /nfs/dbraw/zinc/08/42/38/564084238.db2.gz MDYYSRVQBNHXAS-INIZCTEOSA-N 0 0 325.477 5.073 40 30 EKEBRN C=CCSc1ccccc1C(=O)N[C@H](C)c1cc(C)ccc1C ZINC000219811043 241411934 /nfs/dbraw/zinc/41/19/34/241411934.db2.gz MDYYSRVQBNHXAS-MRXNPFEDSA-N 0 0 325.477 5.073 40 30 EKEBRN C=CCSc1ccccc1C(=O)N[C@@H](C)c1ccc(C)cc1C ZINC000219815468 564084206 /nfs/dbraw/zinc/08/42/06/564084206.db2.gz BNYPSMVACPOXRJ-INIZCTEOSA-N 0 0 325.477 5.073 40 30 EKEBRN C=CCSc1ccccc1C(=O)N[C@H](C)c1ccc(C)cc1C ZINC000219815524 241411899 /nfs/dbraw/zinc/41/18/99/241411899.db2.gz BNYPSMVACPOXRJ-MRXNPFEDSA-N 0 0 325.477 5.073 40 30 EKEBRN C=CCSc1ccccc1C(=O)N[C@@H](CC)c1ccc(C)cc1 ZINC000219815606 564084239 /nfs/dbraw/zinc/08/42/39/564084239.db2.gz BKWBSAUAJNEEOS-SFHVURJKSA-N 0 0 325.477 5.154 40 30 EKEBRN C=CCSc1ccccc1C(=O)N[C@H](CC)c1ccc(C)cc1 ZINC000219815670 241411811 /nfs/dbraw/zinc/41/18/11/241411811.db2.gz BKWBSAUAJNEEOS-GOSISDBHSA-N 0 0 325.477 5.154 40 30 EKEBRN C=CCSc1ccccc1C(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000219815905 564084228 /nfs/dbraw/zinc/08/42/28/564084228.db2.gz VANPPXWRFRLKCO-IBGZPJMESA-N 0 0 339.504 5.482 40 30 EKEBRN C=CCSc1ccccc1C(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000219815964 564084198 /nfs/dbraw/zinc/08/41/98/564084198.db2.gz VANPPXWRFRLKCO-LJQANCHMSA-N 0 0 339.504 5.482 40 30 EKEBRN C=CCSc1ccccc1C(=O)Nc1ccccc1SCC ZINC000219816290 564084191 /nfs/dbraw/zinc/08/41/91/564084191.db2.gz HDCLWUUGSXEWPX-UHFFFAOYSA-N 0 0 329.490 5.329 40 30 EKEBRN C=CCSc1ccccc1C(=O)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000219818127 564084196 /nfs/dbraw/zinc/08/41/96/564084196.db2.gz IKAXTMDYYWTLBH-INIZCTEOSA-N 0 0 325.477 5.073 40 30 EKEBRN C=CCSc1ccccc1C(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000219818193 564084214 /nfs/dbraw/zinc/08/42/14/564084214.db2.gz IKAXTMDYYWTLBH-MRXNPFEDSA-N 0 0 325.477 5.073 40 30 EKEBRN C=CCSc1ccccc1C(=O)N[C@@H](CC)c1ccc(C)c(C)c1 ZINC000219818275 564084220 /nfs/dbraw/zinc/08/42/20/564084220.db2.gz NWPSBUMARGOJFY-IBGZPJMESA-N 0 0 339.504 5.463 40 30 EKEBRN C=CCSc1ccccc1C(=O)N[C@H](CC)c1ccc(C)c(C)c1 ZINC000219818349 564084217 /nfs/dbraw/zinc/08/42/17/564084217.db2.gz NWPSBUMARGOJFY-LJQANCHMSA-N 0 0 339.504 5.463 40 30 EKEBRN C=CCSc1ccccc1C(=O)N[C@@H](CC)c1ccc(C)cc1C ZINC000219818420 241411642 /nfs/dbraw/zinc/41/16/42/241411642.db2.gz OYOIYOWXPCYLHU-IBGZPJMESA-N 0 0 339.504 5.463 40 30 EKEBRN C=CCSc1ccccc1C(=O)N[C@H](CC)c1ccc(C)cc1C ZINC000219818481 241412096 /nfs/dbraw/zinc/41/20/96/241412096.db2.gz OYOIYOWXPCYLHU-LJQANCHMSA-N 0 0 339.504 5.463 40 30 EKEBRN N#Cc1c(/N=C/c2cccs2)oc(-c2ccco2)c1-c1ccco1 ZINC000222036188 564087671 /nfs/dbraw/zinc/08/76/71/564087671.db2.gz VOANDXKZVMOFBV-RGVLZGJSSA-N 0 0 334.356 5.483 40 30 EKEBRN CCCCCCCCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000222088173 564130109 /nfs/dbraw/zinc/13/01/09/564130109.db2.gz VJRWMQBOSLHVJU-UHFFFAOYSA-N 0 0 343.442 5.817 40 30 EKEBRN C=CCSc1ccccc1C(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000222648821 563966523 /nfs/dbraw/zinc/96/65/23/563966523.db2.gz JBMUJBDFVIAQAG-HNNXBMFYSA-N 0 0 325.477 5.018 40 30 EKEBRN C=CCSc1ccccc1C(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000222648889 563966538 /nfs/dbraw/zinc/96/65/38/563966538.db2.gz JBMUJBDFVIAQAG-OAHLLOKOSA-N 0 0 325.477 5.018 40 30 EKEBRN C=CCSc1ccccc1C(=O)NCc1ccc2ccccc2c1 ZINC000222803657 563971720 /nfs/dbraw/zinc/97/17/20/563971720.db2.gz MDJWIMKLUKWYIR-UHFFFAOYSA-N 0 0 333.456 5.048 40 30 EKEBRN C=CCSc1ccccc1C(=O)NCc1cccc2ccccc21 ZINC000222879736 563974976 /nfs/dbraw/zinc/97/49/76/563974976.db2.gz KEYCUZXVBGOPMF-UHFFFAOYSA-N 0 0 333.456 5.048 40 30 EKEBRN C=C(C)C(C)(C)CC(=O)c1cn(CCCCCF)c2ccccc12 ZINC000222910934 564056619 /nfs/dbraw/zinc/05/66/19/564056619.db2.gz BEZVSTOQIZTNCK-UHFFFAOYSA-N 0 0 329.459 5.956 40 30 in-vitro EKEBRN C=CCOc1ccc(C(=O)N[C@@H](CC)c2ccc3c(c2)CCCC3)cc1 ZINC000223108301 563976606 /nfs/dbraw/zinc/97/66/06/563976606.db2.gz BJBABPKOSQTAOA-QFIPXVFZSA-N 0 0 349.474 5.011 40 30 EKEBRN C=CCOc1ccc(C(=O)N[C@H](CC)c2ccc3c(c2)CCCC3)cc1 ZINC000223108366 563976587 /nfs/dbraw/zinc/97/65/87/563976587.db2.gz BJBABPKOSQTAOA-JOCHJYFZSA-N 0 0 349.474 5.011 40 30 EKEBRN CC1=CC(C)(C)N(C)c2ccc(/C=N\c3ccc(N(C)C)cc3)cc21 ZINC000223471969 564040161 /nfs/dbraw/zinc/04/01/61/564040161.db2.gz DZTBTQYLWXFIFU-HAHDFKILSA-N 0 0 333.479 5.135 40 30 EKEBRN CCN1c2ccc(/C=N\c3ccc(OC)cc3)cc2C(C)=CC1(C)C ZINC000223472136 241654100 /nfs/dbraw/zinc/65/41/00/241654100.db2.gz ZVYIPDCHHPDBAR-HAHDFKILSA-N 0 0 334.463 5.468 40 30 EKEBRN CCN1c2ccc(/C=N\c3ccc(N(C)C)cc3)cc2C(C)=CC1(C)C ZINC000223474070 564040188 /nfs/dbraw/zinc/04/01/88/564040188.db2.gz JFFCPWARSOXSMY-JLPGSUDCSA-N 0 0 347.506 5.525 40 30 EKEBRN CCN1c2ccc(/C=N\c3ccc(Cl)cc3)cc2C(C)=CC1(C)C ZINC000223474132 241654023 /nfs/dbraw/zinc/65/40/23/241654023.db2.gz CUTOOSXVBJLPQF-UCQKPKSFSA-N 0 0 338.882 6.112 40 30 EKEBRN COc1ccccc1/N=C/c1ccc2c(c1)C(C)=CC(C)(C)N2C(C)C ZINC000223474476 564040210 /nfs/dbraw/zinc/04/02/10/564040210.db2.gz PQIGPHZFIOJHQN-BUVRLJJBSA-N 0 0 348.490 5.856 40 30 EKEBRN CC1=CC(C)(C)N(C(C)C)c2ccc(C=[NH+][N-]c3ccccc3)cc21 ZINC000223474636 564040212 /nfs/dbraw/zinc/04/02/12/564040212.db2.gz MSFHJPLPGLEXOV-HZHRSRAPSA-N 0 0 333.479 5.543 40 30 EKEBRN COc1ccc(/N=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)cc1 ZINC000223475018 564040187 /nfs/dbraw/zinc/04/01/87/564040187.db2.gz ZDRMAPFEUARSKL-IWIPYMOSSA-N 0 0 348.490 5.856 40 30 EKEBRN C=CCSc1ccccc1C(=O)N[C@@H](C)c1cc(C)c(C)cc1C ZINC000223475633 519077996 /nfs/dbraw/zinc/07/79/96/519077996.db2.gz LLFAOOUOHSBCSE-KRWDZBQOSA-N 0 0 339.504 5.381 40 30 EKEBRN C=CCSc1ccccc1C(=O)N[C@H](C)c1cc(C)c(C)cc1C ZINC000223475690 519077839 /nfs/dbraw/zinc/07/78/39/519077839.db2.gz LLFAOOUOHSBCSE-QGZVFWFLSA-N 0 0 339.504 5.381 40 30 EKEBRN CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/c3ccc(O)cc3)cc21 ZINC000223476699 241656756 /nfs/dbraw/zinc/65/67/56/241656756.db2.gz XXBQOPWFXSSNGV-OEAKJJBVSA-N 0 0 334.463 5.553 40 30 EKEBRN Cc1ccc(/N=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)cc1 ZINC000223480445 564040202 /nfs/dbraw/zinc/04/02/02/564040202.db2.gz UKZOPWTXPOAKOD-BUVRLJJBSA-N 0 0 332.491 6.156 40 30 EKEBRN COc1ccc(/N=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)cn1 ZINC000223486476 564040237 /nfs/dbraw/zinc/04/02/37/564040237.db2.gz USYUTCQVEYFJEW-QRVIBDJDSA-N 0 0 349.478 5.251 40 30 EKEBRN CCc1ccc(/N=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)cc1 ZINC000223491799 564040243 /nfs/dbraw/zinc/04/02/43/564040243.db2.gz OEGVJSZBANIDMX-PCLIKHOPSA-N 0 0 346.518 6.410 40 30 EKEBRN CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/c3ccc(F)cc3)cc21 ZINC000223492555 564040270 /nfs/dbraw/zinc/04/02/70/564040270.db2.gz BPKDFCGDCVIRQB-ZVHZXABRSA-N 0 0 336.454 5.987 40 30 EKEBRN CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N\c3ccccc3O)cc21 ZINC000223495219 564040254 /nfs/dbraw/zinc/04/02/54/564040254.db2.gz IZIOUZYEJDRYRH-UCQKPKSFSA-N 0 0 334.463 5.553 40 30 EKEBRN COc1ccc(/N=C\c2cc3c(cc2C)N(C)C(C)(C)C=C3C)cc1 ZINC000223496434 536615868 /nfs/dbraw/zinc/61/58/68/536615868.db2.gz WVQUNMBHBVITJS-UCQKPKSFSA-N 0 0 334.463 5.386 40 30 EKEBRN Cc1cc2c(cc1/C=N\c1ccc(N(C)C)cc1)C(C)=CC(C)(C)N2C ZINC000223498154 564040280 /nfs/dbraw/zinc/04/02/80/564040280.db2.gz MGOUVWNPQCEACH-IWIPYMOSSA-N 0 0 347.506 5.443 40 30 EKEBRN Cc1cc2c(cc1/C=N\c1ccc(Cl)cc1)C(C)=CC(C)(C)N2C ZINC000223498214 564040261 /nfs/dbraw/zinc/04/02/61/564040261.db2.gz LPVSPIOCDCOEIP-QRVIBDJDSA-N 0 0 338.882 6.031 40 30 EKEBRN CCN1c2cc(C)c(/C=N\c3ccc(OC)cc3)cc2C(C)=CC1(C)C ZINC000223498320 564040260 /nfs/dbraw/zinc/04/02/60/564040260.db2.gz IUTQDVVDOZKFLW-IWIPYMOSSA-N 0 0 348.490 5.776 40 30 EKEBRN CCN1c2cc(C)c(/C=N\c3ccc(OC)nc3)cc2C(C)=CC1(C)C ZINC000223499399 535785237 /nfs/dbraw/zinc/78/52/37/535785237.db2.gz RWRMLNFEAGRVAR-QRVIBDJDSA-N 0 0 349.478 5.171 40 30 EKEBRN CCN1c2cc(C)c(/C=N\c3ccccc3O)cc2C(C)=CC1(C)C ZINC000223500104 564040248 /nfs/dbraw/zinc/04/02/48/564040248.db2.gz ZUUHOQIJTCKIBJ-UCQKPKSFSA-N 0 0 334.463 5.473 40 30 EKEBRN Cc1cc2c(cc1/C=N/c1ccccc1)C(C)=CC(C)(C)N2C(C)C ZINC000223500368 564040250 /nfs/dbraw/zinc/04/02/50/564040250.db2.gz WYHFLHWLGDNHFX-BUVRLJJBSA-N 0 0 332.491 6.156 40 30 EKEBRN Cc1cc2c(cc1C=[NH+][N-]c1ccccc1)C(C)=CC(C)(C)N2C(C)C ZINC000223500807 564040264 /nfs/dbraw/zinc/04/02/64/564040264.db2.gz DICVMEAISKDGKH-BUVRLJJBSA-N 0 0 347.506 5.851 40 30 EKEBRN Cc1cc2c(cc1/C=N/c1ccc(O)cc1)C(C)=CC(C)(C)N2C(C)C ZINC000223503002 564040285 /nfs/dbraw/zinc/04/02/85/564040285.db2.gz JDEYEPGVNODTJN-ZVHZXABRSA-N 0 0 348.490 5.862 40 30 EKEBRN Cc1ccc(/N=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)cc1 ZINC000223506737 564040301 /nfs/dbraw/zinc/04/03/01/564040301.db2.gz DJZKDWSTQDURNO-MFKUBSTISA-N 0 0 346.518 6.464 40 30 EKEBRN Cc1cc2c(cc1/C=N\c1ccccc1O)C(C)=CC(C)(C)N2C(C)C ZINC000223520460 564040290 /nfs/dbraw/zinc/04/02/90/564040290.db2.gz XFZGKWPNMXUQEM-OYKKKHCWSA-N 0 0 348.490 5.862 40 30 EKEBRN C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N\c3ccc(N(C)C)cc3)cc21 ZINC000223526701 564040321 /nfs/dbraw/zinc/04/03/21/564040321.db2.gz RBIUZJVNWUWLET-AJIWAEEYSA-N 0 0 335.495 5.225 40 30 EKEBRN C[C@H]1CC(C)(C)N(C)c2ccc(/C=N\c3ccc(N(C)C)cc3)cc21 ZINC000223526758 564040334 /nfs/dbraw/zinc/04/03/34/564040334.db2.gz RBIUZJVNWUWLET-VBHMAFOESA-N 0 0 335.495 5.225 40 30 EKEBRN C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N\c3ccc(Cl)cc3)cc21 ZINC000223526816 241661880 /nfs/dbraw/zinc/66/18/80/241661880.db2.gz BPDJCPSBGREXHD-BXSODOALSA-N 0 0 326.871 5.813 40 30 EKEBRN C[C@H]1CC(C)(C)N(C)c2ccc(/C=N\c3ccc(Cl)cc3)cc21 ZINC000223526868 564040331 /nfs/dbraw/zinc/04/03/31/564040331.db2.gz BPDJCPSBGREXHD-CRRPLPBISA-N 0 0 326.871 5.813 40 30 EKEBRN CCN1c2ccc(/C=N\c3ccc(OC)cc3)cc2[C@@H](C)CC1(C)C ZINC000223527382 564040330 /nfs/dbraw/zinc/04/03/30/564040330.db2.gz DEBFPXDDIQSXRG-VBHMAFOESA-N 0 0 336.479 5.558 40 30 EKEBRN CCN1c2ccc(/C=N\c3ccc(N(C)C)cc3)cc2[C@@H](C)CC1(C)C ZINC000223541073 564040336 /nfs/dbraw/zinc/04/03/36/564040336.db2.gz RSHWDLUDWNSPAB-SVTVQYSDSA-N 0 0 349.522 5.615 40 30 EKEBRN CCN1c2ccc(/C=N\c3ccc(Cl)cc3)cc2[C@@H](C)CC1(C)C ZINC000223541132 564040337 /nfs/dbraw/zinc/04/03/37/564040337.db2.gz BINMLZAZTJMPFW-DZIKBWIISA-N 0 0 340.898 6.203 40 30 EKEBRN CC(C)N1c2ccc(C=[NH+][N-]c3ccccc3)cc2[C@@H](C)CC1(C)C ZINC000223541741 564040341 /nfs/dbraw/zinc/04/03/41/564040341.db2.gz QGZODIDLMMKJMS-BDFKGGEMSA-N 0 0 335.495 5.633 40 30 EKEBRN CC(C)N1c2ccc(/C=N/c3ccc(O)cc3)cc2[C@@H](C)CC1(C)C ZINC000223544061 564040332 /nfs/dbraw/zinc/04/03/32/564040332.db2.gz FIEVAPMUTGJVHN-YQCVNYCESA-N 0 0 336.479 5.643 40 30 EKEBRN Cc1ccc(/N=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)cc1 ZINC000223548274 564040328 /nfs/dbraw/zinc/04/03/28/564040328.db2.gz LRULLEVHGXBDFK-WORIPGKHSA-N 0 0 334.507 6.246 40 30 EKEBRN Cc1ccc(/N=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)cc1 ZINC000223548333 564040340 /nfs/dbraw/zinc/04/03/40/564040340.db2.gz LRULLEVHGXBDFK-LSPPGFKNSA-N 0 0 334.507 6.246 40 30 EKEBRN CCc1ccc(/N=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)cc1 ZINC000223563322 564040358 /nfs/dbraw/zinc/04/03/58/564040358.db2.gz IYDYLIKKGBQQIA-LEBHPONQSA-N 0 0 348.534 6.500 40 30 EKEBRN CCc1ccc(/N=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)cc1 ZINC000223563381 564040367 /nfs/dbraw/zinc/04/03/67/564040367.db2.gz IYDYLIKKGBQQIA-OAKZWBAKSA-N 0 0 348.534 6.500 40 30 EKEBRN CC(C)N1c2ccc(/C=N/c3ccc(F)cc3)cc2[C@@H](C)CC1(C)C ZINC000223564263 564040364 /nfs/dbraw/zinc/04/03/64/564040364.db2.gz FFCLWJWUQVLVFV-GCMSVZMUSA-N 0 0 338.470 6.077 40 30 EKEBRN CC(C)N1c2ccc(/C=N\c3ccccc3O)cc2[C@@H](C)CC1(C)C ZINC000223567416 564040370 /nfs/dbraw/zinc/04/03/70/564040370.db2.gz BCTJOVKHBKRMDC-ZGWJWYQGSA-N 0 0 336.479 5.643 40 30 EKEBRN Cc1cc2c(cc1/C=N\c1ccc(N(C)C)cc1)[C@H](C)CC(C)(C)N2C ZINC000223571945 564040353 /nfs/dbraw/zinc/04/03/53/564040353.db2.gz FKKMQSGDSFUKIR-WMWHPZEKSA-N 0 0 349.522 5.534 40 30 EKEBRN Cc1cc2c(cc1/C=N\c1ccc(Cl)cc1)[C@@H](C)CC(C)(C)N2C ZINC000223572011 564040400 /nfs/dbraw/zinc/04/04/00/564040400.db2.gz RGKJRSNDRGYBRG-VRHSPDTKSA-N 0 0 340.898 6.121 40 30 EKEBRN Cc1cc2c(cc1/C=N\c1ccc(Cl)cc1)[C@H](C)CC(C)(C)N2C ZINC000223572077 564040381 /nfs/dbraw/zinc/04/03/81/564040381.db2.gz RGKJRSNDRGYBRG-KSJDGYIASA-N 0 0 340.898 6.121 40 30 EKEBRN CCN1c2cc(C)c(C=[NH+][N-]c3ccccc3)cc2[C@@H](C)CC1(C)C ZINC000223572276 564040397 /nfs/dbraw/zinc/04/03/97/564040397.db2.gz LXSVGQUNNFSVLE-BDFKGGEMSA-N 0 0 335.495 5.553 40 30 EKEBRN CCN1c2cc(C)c(/C=N\c3ccccc3O)cc2[C@@H](C)CC1(C)C ZINC000223586126 564040387 /nfs/dbraw/zinc/04/03/87/564040387.db2.gz JDFOLMGGHHBLSU-ZGWJWYQGSA-N 0 0 336.479 5.563 40 30 EKEBRN Cc1cc2c(cc1/C=N/c1ccccc1)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223586946 564040385 /nfs/dbraw/zinc/04/03/85/564040385.db2.gz PYVOGOABLRGRGA-WORIPGKHSA-N 0 0 334.507 6.246 40 30 EKEBRN Cc1cc2c(cc1/C=N/c1ccccc1)[C@H](C)CC(C)(C)N2C(C)C ZINC000223586997 564040406 /nfs/dbraw/zinc/04/04/06/564040406.db2.gz PYVOGOABLRGRGA-LSPPGFKNSA-N 0 0 334.507 6.246 40 30 EKEBRN Cc1cc2c(cc1C=[NH+][N-]c1ccccc1)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223587556 564040401 /nfs/dbraw/zinc/04/04/01/564040401.db2.gz CHLYSQPIAVPHBY-WORIPGKHSA-N 0 0 349.522 5.942 40 30 EKEBRN Cc1cc2c(cc1C=[NH+][N-]c1ccccc1)[C@H](C)CC(C)(C)N2C(C)C ZINC000223587609 564040434 /nfs/dbraw/zinc/04/04/34/564040434.db2.gz CHLYSQPIAVPHBY-LSPPGFKNSA-N 0 0 349.522 5.942 40 30 EKEBRN Cc1ccc(/N=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)cc1 ZINC000223596756 564040418 /nfs/dbraw/zinc/04/04/18/564040418.db2.gz YZNYSSKBXHUTDV-QVWJKXSPSA-N 0 0 348.534 6.555 40 30 EKEBRN C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\c3ccccc3O)cc21 ZINC000223620568 564040461 /nfs/dbraw/zinc/04/04/61/564040461.db2.gz KZKPFFJXPRYPKS-IKTNTUJMSA-N 0 0 342.870 5.518 40 30 EKEBRN C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\c3ccccc3O)cc21 ZINC000223620622 564040485 /nfs/dbraw/zinc/04/04/85/564040485.db2.gz KZKPFFJXPRYPKS-QGNWGPJTSA-N 0 0 342.870 5.518 40 30 EKEBRN C=CCOc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 ZINC000224638643 563994450 /nfs/dbraw/zinc/99/44/50/563994450.db2.gz MSNZLMMVWDFCJA-UHFFFAOYSA-N 0 0 343.382 5.403 40 30 EKEBRN C=CCSc1ccccc1C(=O)NCc1cc(CC)ccc1CC ZINC000224854181 563995028 /nfs/dbraw/zinc/99/50/28/563995028.db2.gz OYJFGDNUHXOFIZ-UHFFFAOYSA-N 0 0 339.504 5.020 40 30 EKEBRN C=CCOc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000224974976 563995309 /nfs/dbraw/zinc/99/53/09/563995309.db2.gz PVYTUGKIWSBOHI-UHFFFAOYSA-N 0 0 343.426 5.100 40 30 EKEBRN C=CCOc1cccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 ZINC000224975030 563995320 /nfs/dbraw/zinc/99/53/20/563995320.db2.gz XSPVEOXHRPAPDQ-UHFFFAOYSA-N 0 0 343.426 5.100 40 30 EKEBRN N#CCCCc1nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1 ZINC000225295326 564045713 /nfs/dbraw/zinc/04/57/13/564045713.db2.gz MQTVWPFFUFCUKJ-UHFFFAOYSA-N 0 0 344.245 5.238 40 30 EKEBRN CC1(C)COc2ccc(/C=C/C(=O)c3ccc(Cl)cc3)cc2OC1 ZINC000225371388 564046210 /nfs/dbraw/zinc/04/62/10/564046210.db2.gz FLTWAACWMVVWMW-YCRREMRBSA-N 0 0 342.822 5.034 40 30 EKEBRN CC1(C)COc2ccc(C(=O)/C=C/c3ccc(Cl)cc3)cc2OC1 ZINC000225371638 564046223 /nfs/dbraw/zinc/04/62/23/564046223.db2.gz AHSAHPFZUYSLTC-WEVVVXLNSA-N 0 0 342.822 5.034 40 30 EKEBRN C=CC(C)(C)c1cc(=O)c2cc(CC=C(C)C)cc(CC=C(C)C)c2[nH]1 ZINC000225420961 241854397 /nfs/dbraw/zinc/85/43/97/241854397.db2.gz ABKNBGRNCFAEPT-UHFFFAOYSA-N 0 0 349.518 6.009 40 30 biogenic,in-vitro EKEBRN N#Cc1ccc(Nc2cc(Cl)ccc2Oc2ccccc2)c(N)c1 ZINC000225498195 241899129 /nfs/dbraw/zinc/89/91/29/241899129.db2.gz ORUOCCLAGYZWMV-UHFFFAOYSA-N 0 0 335.794 5.330 40 30 EKEBRN N#Cc1cc(N)ccc1Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000225498737 564135279 /nfs/dbraw/zinc/13/52/79/564135279.db2.gz DYOBSWFMSWXHKM-UHFFFAOYSA-N 0 0 335.794 5.330 40 30 EKEBRN CCCCCc1c(N)cc(C#N)n1Cc1ccc(Cl)cc1Cl ZINC000225856533 535140861 /nfs/dbraw/zinc/14/08/61/535140861.db2.gz SITDSTNEWLCHTJ-UHFFFAOYSA-N 0 0 336.266 5.030 40 30 EKEBRN CCCCCn1c(C#N)cc(N)c1Oc1cc(C(C)C)ccc1C ZINC000225886772 535147733 /nfs/dbraw/zinc/14/77/33/535147733.db2.gz OGKOLYHVMNYJOY-UHFFFAOYSA-N 0 0 325.456 5.356 40 30 EKEBRN Cc1ccc(C(C)C)cc1Oc1c(N)cc(C#N)n1Cc1ccccc1 ZINC000225886867 242071496 /nfs/dbraw/zinc/07/14/96/242071496.db2.gz FPSYUVLGNWUDBW-UHFFFAOYSA-N 0 0 345.446 5.214 40 30 EKEBRN C=CCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1 ZINC000225931180 563996012 /nfs/dbraw/zinc/99/60/12/563996012.db2.gz KXROXSCDHJMLDN-UHFFFAOYSA-N 0 0 335.447 5.092 40 30 EKEBRN C=CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1 ZINC000225933009 242079755 /nfs/dbraw/zinc/07/97/55/242079755.db2.gz DHXYWNFQWSYMGR-UHFFFAOYSA-N 0 0 349.474 5.400 40 30 EKEBRN C=CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1 ZINC000225933230 242078508 /nfs/dbraw/zinc/07/85/08/242078508.db2.gz LNSRXBBKTYKPFT-UHFFFAOYSA-N 0 0 335.447 5.010 40 30 EKEBRN C=CCOc1ccc(NC(=O)C2(c3ccccc3)CC2)c2ccccc12 ZINC000225940260 242079197 /nfs/dbraw/zinc/07/91/97/242079197.db2.gz MCDDJEXVVHZNAT-UHFFFAOYSA-N 0 0 343.426 5.075 40 30 EKEBRN C=CCC(C)(C)C(=O)Nc1ccc(OCC(C)C)c2ccccc12 ZINC000225942079 205103713 /nfs/dbraw/zinc/10/37/13/205103713.db2.gz UWCQWYCTOWIVSR-UHFFFAOYSA-N 0 0 325.452 5.415 40 30 EKEBRN C=CCOc1ccc(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)cc1 ZINC000225943172 205105980 /nfs/dbraw/zinc/10/59/80/205105980.db2.gz KAMZTBSABGHBDA-UHFFFAOYSA-N 0 0 343.854 5.112 40 30 EKEBRN C=CCOc1ccc(NC(=O)C(C)(C)c2ccccc2)c2ccccc12 ZINC000225943889 242079953 /nfs/dbraw/zinc/07/99/53/242079953.db2.gz DPBAYKIUWDVWMW-UHFFFAOYSA-N 0 0 345.442 5.321 40 30 EKEBRN C=CCOc1ccc(NC(=O)C2(C)CCCCC2)cc1C(F)(F)F ZINC000225954953 242080916 /nfs/dbraw/zinc/08/09/16/242080916.db2.gz FJNHTYYVBJSALB-UHFFFAOYSA-N 0 0 341.373 5.179 40 30 EKEBRN C=CCC(C)(C)C(=O)Nc1ccc(OC(C)C)c(C(F)(F)F)c1 ZINC000225956697 242081705 /nfs/dbraw/zinc/08/17/05/242081705.db2.gz WDKYSQXWBIRSLM-UHFFFAOYSA-N 0 0 329.362 5.033 40 30 EKEBRN C=CCC(C)(C)C(=O)Nc1ccc(OCC(C)C)c(C(F)(F)F)c1 ZINC000225956719 242081644 /nfs/dbraw/zinc/08/16/44/242081644.db2.gz VUECZNUWURZIQP-UHFFFAOYSA-N 0 0 343.389 5.281 40 30 EKEBRN C#Cc1cccc(OCc2ccc(C(F)(F)F)cc2C(F)(F)F)c1 ZINC000228935229 564118124 /nfs/dbraw/zinc/11/81/24/564118124.db2.gz PRTMFUGONOPHCI-UHFFFAOYSA-N 0 0 344.254 5.285 40 30 EKEBRN C#Cc1cccc(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000228979437 564118206 /nfs/dbraw/zinc/11/82/06/564118206.db2.gz GVCBNBWGPJQOHR-UHFFFAOYSA-N 0 0 344.254 5.285 40 30 EKEBRN C=C1CC[C@@H]2C(C)(C)CC(=O)C[C@]2(C)[C@@H]1CC[C@@H](C)CCOC(C)=O ZINC000229776233 242199002 /nfs/dbraw/zinc/19/90/02/242199002.db2.gz LZGVQJDYLAUCGI-GFACEEGYSA-N 0 0 348.527 5.334 40 30 biogenic,in-vitro EKEBRN CC(C)(C)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@]12C ZINC000245189355 564131935 /nfs/dbraw/zinc/13/19/35/564131935.db2.gz AXZMMYSIQZGVGY-AQCRLBJHSA-N 0 0 328.496 5.376 40 30 EKEBRN CCC[C@H]1CC[C@H](c2ccc(C#Cc3ccc(OCC)cc3)cc2)CC1 ZINC000245204360 564131931 /nfs/dbraw/zinc/13/19/31/564131931.db2.gz ADQFOQFNQXFZLH-JKIUYZKVSA-N 0 0 346.514 6.559 40 30 EKEBRN CCC[C@H]1CC[C@H](c2ccc(C#Cc3ccc(OC)cc3)cc2)CC1 ZINC000245204930 564131942 /nfs/dbraw/zinc/13/19/42/564131942.db2.gz JQKHCVKNAJSAIX-XYWHTSSQSA-N 0 0 332.487 6.169 40 30 EKEBRN C=CCC[C@H]1CC[C@H](C2CCC(c3ccc(F)c(F)c3)CC2)CC1 ZINC000245224291 564131937 /nfs/dbraw/zinc/13/19/37/564131937.db2.gz UMULWEQZNFZORL-POSCCBCBSA-N 0 0 332.478 7.011 40 30 EKEBRN Cc1ccc2nc(-c3ccc(N=Cc4cccs4)cc3)sc2c1 ZINC000245229263 564131943 /nfs/dbraw/zinc/13/19/43/564131943.db2.gz SBVBFJXAIORWIK-UHFFFAOYSA-N 0 0 334.469 6.084 40 30 EKEBRN CCC[C@H]1C/C(=C\c2cccc(C)c2)C(=O)/C(=C\c2cccc(C)c2)C1 ZINC000245285818 564168970 /nfs/dbraw/zinc/16/89/70/564168970.db2.gz YRYBYZCFBUHJJQ-BBBBFTRWSA-N 0 0 344.498 6.550 40 30 EKEBRN CCC[C@@H]1C/C(=C\c2cccc(C)c2)C(=O)/C(=C\c2cccc(C)c2)C1 ZINC000245285819 564168965 /nfs/dbraw/zinc/16/89/65/564168965.db2.gz YRYBYZCFBUHJJQ-WMGSCAEFSA-N 0 0 344.498 6.550 40 30 EKEBRN C=C1CC[C@@H]2C(C)(C)CC(=O)C[C@]2(C)[C@H]1CC[C@H](C)CCOC(C)=O ZINC000247913170 563994486 /nfs/dbraw/zinc/99/44/86/563994486.db2.gz LZGVQJDYLAUCGI-CNWYBHPASA-N 0 0 348.527 5.334 40 30 biogenic,in-vitro EKEBRN C=C1CC[C@@H]2C(C)(C)CC(=O)C[C@]2(C)[C@@H]1CC[C@H](C)CCOC(C)=O ZINC000247913175 563994522 /nfs/dbraw/zinc/99/45/22/563994522.db2.gz LZGVQJDYLAUCGI-CODJPFMTSA-N 0 0 348.527 5.334 40 30 biogenic,in-vitro EKEBRN C=C1CC[C@@H]2C(C)(C)CC(=O)C[C@]2(C)[C@H]1CC[C@@H](C)CCOC(C)=O ZINC000247913178 563994517 /nfs/dbraw/zinc/99/45/17/563994517.db2.gz LZGVQJDYLAUCGI-UYBVGCJSSA-N 0 0 348.527 5.334 40 30 biogenic,in-vitro EKEBRN O=C1/C(=C/c2ccco2)C[C@@H](c2ccccc2)C/C1=C/c1ccco1 ZINC000250813970 526943006 /nfs/dbraw/zinc/94/30/06/526943006.db2.gz NHMQLLNWBPNUOX-QOTRKYLXSA-N 0 0 330.383 5.486 40 30 EKEBRN O=C1/C(=C/c2ccco2)C[C@H](c2ccccc2)C/C1=C/c1ccco1 ZINC000250813973 564133592 /nfs/dbraw/zinc/13/35/92/564133592.db2.gz NHMQLLNWBPNUOX-XWKVODRNSA-N 0 0 330.383 5.486 40 30 EKEBRN Fc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)s1 ZINC000252495435 564132097 /nfs/dbraw/zinc/13/20/97/564132097.db2.gz OQGVVLIFQUJXAX-REZTVBANSA-N 0 0 337.832 5.110 40 30 EKEBRN CC(=O)[C@@]1(C)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]21C ZINC000253502373 564132188 /nfs/dbraw/zinc/13/21/88/564132188.db2.gz JNABCHQTKFQDJL-KUTGXBBCSA-N 0 0 340.507 5.136 40 30 EKEBRN CC(=O)[C@@]1(C)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@]21C ZINC000253502383 257998671 /nfs/dbraw/zinc/99/86/71/257998671.db2.gz JNABCHQTKFQDJL-ONXDNZEFSA-N 0 0 340.507 5.136 40 30 EKEBRN CC(C)/C=C1\C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O ZINC000253505457 564132211 /nfs/dbraw/zinc/13/22/11/564132211.db2.gz QCPOUGYGVCEUFB-ICJYPBSPSA-N 0 0 328.540 6.181 40 30 EKEBRN CC(C)/C=C1\C[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1=O ZINC000253505465 564132187 /nfs/dbraw/zinc/13/21/87/564132187.db2.gz QCPOUGYGVCEUFB-JSPFKUNFSA-N 0 0 328.540 6.181 40 30 EKEBRN CC(C)/C=C1\C[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)C1=O ZINC000253505468 564132212 /nfs/dbraw/zinc/13/22/12/564132212.db2.gz QCPOUGYGVCEUFB-PRXNXHDGSA-N 0 0 328.540 6.181 40 30 EKEBRN CC(C)/C=C1\C[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O ZINC000253505476 564132213 /nfs/dbraw/zinc/13/22/13/564132213.db2.gz QCPOUGYGVCEUFB-QVQFPCTNSA-N 0 0 328.540 6.181 40 30 EKEBRN O/N=C/c1cc(Cl)c(OCc2cccc3ccccc32)c(Cl)c1 ZINC000253566058 564132198 /nfs/dbraw/zinc/13/21/98/564132198.db2.gz IMMRWCYTYVZQRY-UFFVCSGVSA-N 0 0 346.213 5.534 40 30 EKEBRN O/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000253567001 564132194 /nfs/dbraw/zinc/13/21/94/564132194.db2.gz JPSOPAAFFKYZRA-CNHKJKLMSA-N 0 0 330.598 5.034 40 30 EKEBRN Oc1ccc2ccccc2c1C=Nc1cccc(Br)c1 ZINC000254391090 564132242 /nfs/dbraw/zinc/13/22/42/564132242.db2.gz IFCQGLWWMCKCFN-UHFFFAOYSA-N 0 0 326.193 5.059 40 30 EKEBRN C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccc(C)cc1 ZINC000254443547 564132280 /nfs/dbraw/zinc/13/22/80/564132280.db2.gz RLJXUGDKLALCET-UHFFFAOYSA-N 0 0 340.879 5.597 40 30 EKEBRN Oc1ccc2ccccc2c1C=Nc1ccc(Oc2ccccc2)cc1 ZINC000254510709 564132276 /nfs/dbraw/zinc/13/22/76/564132276.db2.gz HPHAMBOJMRZCFU-UHFFFAOYSA-N 0 0 339.394 6.088 40 30 EKEBRN Cc1nc(N=NC(N=Nc2ccccc2)c2ccccc2)sc1C ZINC000254532464 526973677 /nfs/dbraw/zinc/97/36/77/526973677.db2.gz GIFKVQOPAJDJLO-UHFFFAOYSA-N 0 0 335.436 5.318 40 30 EKEBRN CCCCCCOc1ccc(C=Nc2ccc(CCCC)cc2)cc1 ZINC000254579623 564132263 /nfs/dbraw/zinc/13/22/63/564132263.db2.gz YDTFLWMDAFOTRZ-UHFFFAOYSA-N 0 0 337.507 6.739 40 30 EKEBRN Clc1ccc(C(N=Nc2ccccc2)N=Nc2ccccc2)cc1 ZINC000254758008 564132259 /nfs/dbraw/zinc/13/22/59/564132259.db2.gz GGXMARXENIIWPQ-UHFFFAOYSA-N 0 0 334.810 5.898 40 30 EKEBRN COc1ccc(C(N=Nc2ccccc2)N=Nc2ccccc2)cc1 ZINC000254857832 523795913 /nfs/dbraw/zinc/79/59/13/523795913.db2.gz FKTMYMAIOJZZLV-UHFFFAOYSA-N 0 0 330.391 5.253 40 30 EKEBRN CCCCCOc1ccc(C=Nc2ccc(C(=O)OCC)cc2)cc1 ZINC000256090897 564132412 /nfs/dbraw/zinc/13/24/12/564132412.db2.gz ZQZICUICLNBRNL-UHFFFAOYSA-N 0 0 339.435 5.183 40 30 EKEBRN CCCCCCCCOc1ccc(C=Nc2ccc(C#N)cc2)cc1 ZINC000256430487 564011178 /nfs/dbraw/zinc/01/11/78/564011178.db2.gz OUUJTVZTPFJGMR-UHFFFAOYSA-N 0 0 334.463 6.048 40 30 EKEBRN CCCCCCCC/C=C/C/C=C\C/C=C/CCCC(=O)NCCO ZINC000256961104 564132440 /nfs/dbraw/zinc/13/24/40/564132440.db2.gz YKGQBEGMUSSPFY-NXRLWLEVSA-N 0 0 349.559 5.465 40 30 EKEBRN CC(C)N1c2ccc(/C=N\c3ccccc3O)cc2[C@H](C)CC1(C)C ZINC000260562668 564132532 /nfs/dbraw/zinc/13/25/32/564132532.db2.gz BCTJOVKHBKRMDC-GMPVXANTSA-N 0 0 336.479 5.643 40 30 EKEBRN CCN1c2ccc(/C=N\c3ccc(Cl)cc3)cc2[C@H](C)CC1(C)C ZINC000260562700 564132530 /nfs/dbraw/zinc/13/25/30/564132530.db2.gz BINMLZAZTJMPFW-JNCAFBRLSA-N 0 0 340.898 6.203 40 30 EKEBRN CCN1c2ccc(/C=N\c3ccc(OC)cc3)cc2[C@H](C)CC1(C)C ZINC000260562947 564132541 /nfs/dbraw/zinc/13/25/41/564132541.db2.gz DEBFPXDDIQSXRG-AJIWAEEYSA-N 0 0 336.479 5.558 40 30 EKEBRN CC(C)N1c2ccc(/C=N/c3ccc(F)cc3)cc2[C@H](C)CC1(C)C ZINC000260563031 564132527 /nfs/dbraw/zinc/13/25/27/564132527.db2.gz FFCLWJWUQVLVFV-HUSFYUSLSA-N 0 0 338.470 6.077 40 30 EKEBRN CC(C)N1c2ccc(/C=N/c3ccc(O)cc3)cc2[C@H](C)CC1(C)C ZINC000260563056 564132551 /nfs/dbraw/zinc/13/25/51/564132551.db2.gz FIEVAPMUTGJVHN-BRABVMKYSA-N 0 0 336.479 5.643 40 30 EKEBRN CCN1c2cc(C)c(/C=N\c3ccccc3O)cc2[C@H](C)CC1(C)C ZINC000260565588 564132528 /nfs/dbraw/zinc/13/25/28/564132528.db2.gz JDFOLMGGHHBLSU-GMPVXANTSA-N 0 0 336.479 5.563 40 30 EKEBRN CC(C)N1c2ccc(C=[NH+][N-]c3ccccc3)cc2[C@H](C)CC1(C)C ZINC000260569446 564132545 /nfs/dbraw/zinc/13/25/45/564132545.db2.gz QGZODIDLMMKJMS-HAFIMRKLSA-N 0 0 335.495 5.633 40 30 EKEBRN CCN1c2ccc(/C=N\c3ccc(N(C)C)cc3)cc2[C@H](C)CC1(C)C ZINC000260569755 564132547 /nfs/dbraw/zinc/13/25/47/564132547.db2.gz RSHWDLUDWNSPAB-GIKSKMNSSA-N 0 0 349.522 5.615 40 30 EKEBRN COc1ccc(/N=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)cc1 ZINC000260572423 564132525 /nfs/dbraw/zinc/13/25/25/564132525.db2.gz VHFUICUWBNZBTN-GMPVXANTSA-N 0 0 336.479 5.476 40 30 EKEBRN Cc1ccc(/N=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)cc1 ZINC000260573573 564132558 /nfs/dbraw/zinc/13/25/58/564132558.db2.gz YZNYSSKBXHUTDV-KWXFCVSUSA-N 0 0 348.534 6.555 40 30 EKEBRN CC(=CC(=O)c1cccnc1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000260840554 564132583 /nfs/dbraw/zinc/13/25/83/564132583.db2.gz CARYZHDZTGBTBD-PEJXKHDASA-N 0 0 342.402 5.696 40 30 EKEBRN O=C(C=CNc1ccc(N=Nc2ccccc2)cc1)c1ccccc1 ZINC000260840560 564132588 /nfs/dbraw/zinc/13/25/88/564132588.db2.gz CJHWTYVEIFQMQR-HOLGIKFWSA-N 0 0 327.387 5.911 40 30 EKEBRN Cc1ccc(C(=O)C=CNc2ccc(N=Nc3ccccc3)cc2)cc1 ZINC000260840563 564132591 /nfs/dbraw/zinc/13/25/91/564132591.db2.gz DHZKZZNYLTUXJU-VKHQMHHLSA-N 0 0 341.414 6.219 40 30 EKEBRN Oc1c(C=Nc2ccc(Oc3ccccc3)cc2)ccc2ccccc21 ZINC000260840566 564132595 /nfs/dbraw/zinc/13/25/95/564132595.db2.gz FBDYQLDIFTXMEX-UHFFFAOYSA-N 0 0 339.394 6.088 40 30 EKEBRN Oc1c(C=Nc2ccc(Br)cc2)ccc2ccccc12 ZINC000260840578 564132561 /nfs/dbraw/zinc/13/25/61/564132561.db2.gz GHNSLMGYVKZPQV-UHFFFAOYSA-N 0 0 326.193 5.059 40 30 EKEBRN Oc1c(C=Nc2cccc(Br)c2)ccc2ccccc12 ZINC000260840618 564132573 /nfs/dbraw/zinc/13/25/73/564132573.db2.gz NFTVASZWBBPDGV-UHFFFAOYSA-N 0 0 326.193 5.059 40 30 EKEBRN C=CCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(F)c(F)c3)CC2)CC1 ZINC000261508547 201193524 /nfs/dbraw/zinc/19/35/24/201193524.db2.gz UMULWEQZNFZORL-VVPTUSLJSA-N 0 0 332.478 7.011 40 30 EKEBRN CCCCCCCC/C=C\CCCCCCc1c[nH]cc(C=O)c1=O ZINC000263615763 564132603 /nfs/dbraw/zinc/13/26/03/564132603.db2.gz FCYXLLCAEPQMKF-KTKRTIGZSA-N 0 0 345.527 6.400 40 30 EKEBRN CCCCC[C@H]1CC[C@H](C2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC000263617472 563984190 /nfs/dbraw/zinc/98/41/90/563984190.db2.gz NYIIMCUQDTTYJB-TYIZDMKQSA-N 0 0 337.551 7.219 40 30 EKEBRN CCOc1ccc(C#Cc2ccc([C@H]3CC[C@H](CC)CC3)cc2)cc1 ZINC000299803377 564132925 /nfs/dbraw/zinc/13/29/25/564132925.db2.gz MLNOMZBLUALVDC-XYWHTSSQSA-N 0 0 332.487 6.169 40 30 EKEBRN CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(C#N)cc3)CC2)CC1 ZINC000299803668 564133148 /nfs/dbraw/zinc/13/31/48/564133148.db2.gz NYIIMCUQDTTYJB-KDNFAQGPSA-N 0 0 337.551 7.219 40 30 EKEBRN CCCCCCCCCOc1ccc(N=Cc2ccc(C#N)cc2)cc1 ZINC000299888448 564132948 /nfs/dbraw/zinc/13/29/48/564132948.db2.gz JWMSIRWJOWLGNS-UHFFFAOYSA-N 0 0 348.490 6.438 40 30 EKEBRN CCCCCCC[C@@H](O)C/C=C/CCCCCCCC(=O)OCC ZINC000299888483 564132946 /nfs/dbraw/zinc/13/29/46/564132946.db2.gz LIROAAHQIMWGKN-IZLCOFNUSA-N 0 0 340.548 5.948 40 30 EKEBRN CCn1c2ccccc2c2cc(C=NN(C)c3ccccc3)ccc21 ZINC000299888628 564132958 /nfs/dbraw/zinc/13/29/58/564132958.db2.gz QYXUHIZLHNDFJT-UHFFFAOYSA-N 0 0 327.431 5.285 40 30 EKEBRN C=CCOc1ccccc1CNc1ccc(Oc2ccccc2)cc1 ZINC000326975251 564133521 /nfs/dbraw/zinc/13/35/21/564133521.db2.gz ICKMRZPETAEXEH-UHFFFAOYSA-N 0 0 331.415 5.656 40 30 EKEBRN C#CCOc1ccccc1CNc1ccc(Oc2ccccc2)cc1 ZINC000327331162 564133517 /nfs/dbraw/zinc/13/35/17/564133517.db2.gz YLSMSRXDFBUUOW-UHFFFAOYSA-N 0 0 329.399 5.103 40 30 EKEBRN CC(C)(C)c1cnc(CCC(=O)N[C@@]2(C)CCCc3ccccc32)o1 ZINC000328820698 563971310 /nfs/dbraw/zinc/97/13/10/563971310.db2.gz QVTQBJONTCKRGW-NRFANRHFSA-N 0 0 340.467 5.113 40 30 EKEBRN CC(C)(C)c1cnc(CCC(=O)N[C@]2(C)CCCc3ccccc32)o1 ZINC000328820705 563971288 /nfs/dbraw/zinc/97/12/88/563971288.db2.gz QVTQBJONTCKRGW-OAQYLSRUSA-N 0 0 340.467 5.113 40 30 EKEBRN C=CCCC[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000390823319 518703001 /nfs/dbraw/zinc/70/30/01/518703001.db2.gz ZETBSEGROCOGEY-INIZCTEOSA-N 0 0 335.447 5.270 40 30 EKEBRN C=CCOc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1 ZINC000392184531 564173878 /nfs/dbraw/zinc/17/38/78/564173878.db2.gz CBKXOLXQYFKPTB-UHFFFAOYSA-N 0 0 331.415 5.656 40 30 EKEBRN C=CCOc1ccc(C(=O)Nc2cccc3ccccc32)cc1OCC ZINC000408530444 563862202 /nfs/dbraw/zinc/86/22/02/563862202.db2.gz JJIRPQWTRCMERV-UHFFFAOYSA-N 0 0 347.414 5.056 40 30 EKEBRN CCCCCCCCOc1c(Cl)cc(/C=N\O)cc1OCC ZINC000408539608 563862781 /nfs/dbraw/zinc/86/27/81/563862781.db2.gz IQAHFMDHQWTNEK-UYRXBGFRSA-N 0 0 327.852 5.286 40 30 EKEBRN COc1cc(C)c(/C=N/c2ccc(Nc3ccccc3)cc2)cc1OC ZINC000408548660 563863187 /nfs/dbraw/zinc/86/31/87/563863187.db2.gz KRDFZNDUUXZVMP-HZHRSRAPSA-N 0 0 346.430 5.506 40 30 EKEBRN COc1cc(C)c(/C=N/c2ccc(-c3ccccc3)cc2)cc1OC ZINC000408549185 563863154 /nfs/dbraw/zinc/86/31/54/563863154.db2.gz QMAAAMHMEZKTIB-HZHRSRAPSA-N 0 0 331.415 5.430 40 30 EKEBRN COc1cc(C)c(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OC ZINC000408549697 563863158 /nfs/dbraw/zinc/86/31/58/563863158.db2.gz XEVKGCMHYMLKLW-HZHRSRAPSA-N 0 0 347.414 5.555 40 30 EKEBRN CC(C)c1ccc(/N=C/c2ccccc2I)cc1 ZINC000408550362 563463559 /nfs/dbraw/zinc/46/35/59/563463559.db2.gz GMWQIZFXSARHPW-WOJGMQOQSA-N 0 0 349.215 5.165 40 30 EKEBRN C=CCOc1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1 ZINC000408562629 257896687 /nfs/dbraw/zinc/89/66/87/257896687.db2.gz DNDJSTSBXXHWIR-UHFFFAOYSA-N 0 0 347.867 5.026 40 30 EKEBRN C=CCOc1cccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)c1 ZINC000408562699 257896820 /nfs/dbraw/zinc/89/68/20/257896820.db2.gz FOMRQCNLHLVHQB-SDNWHVSQSA-N 0 0 335.447 5.201 40 30 EKEBRN C=CCOc1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 ZINC000408562971 563864101 /nfs/dbraw/zinc/86/41/01/563864101.db2.gz HDYRIVKYLRIZHK-OVCLIPMQSA-N 0 0 335.447 5.201 40 30 EKEBRN CCCCc1ccc(NC=C2C[C@H](C(C)(C)CC)CCC2=O)cc1 ZINC000408563057 257896499 /nfs/dbraw/zinc/89/64/99/257896499.db2.gz ICWJTYYSBBXWTB-WNZNBFKUSA-N 0 0 327.512 6.130 40 30 EKEBRN CCCCc1ccc(NC=C2C[C@@H](C(C)(C)CC)CCC2=O)cc1 ZINC000408563062 563864136 /nfs/dbraw/zinc/86/41/36/563864136.db2.gz ICWJTYYSBBXWTB-YMIFCHIISA-N 0 0 327.512 6.130 40 30 EKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2cc(Cl)cc(Cl)c2)C1 ZINC000408563082 563478145 /nfs/dbraw/zinc/47/81/45/563478145.db2.gz IGMTYWPHIIPYJQ-XZHRJIJLSA-N 0 0 340.294 6.095 40 30 EKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2cc(Cl)cc(Cl)c2)C1 ZINC000408563085 563478143 /nfs/dbraw/zinc/47/81/43/563478143.db2.gz IGMTYWPHIIPYJQ-YLSINNKHSA-N 0 0 340.294 6.095 40 30 EKEBRN C=CCOc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 ZINC000408563480 257896738 /nfs/dbraw/zinc/89/67/38/257896738.db2.gz NGMOMIVTPSUXAW-VQHVLOKHSA-N 0 0 348.229 5.210 40 30 EKEBRN C=CCOc1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1 ZINC000408563780 563863819 /nfs/dbraw/zinc/86/38/19/563863819.db2.gz PMDRGWXAFNEDTL-UHFFFAOYSA-N 0 0 347.867 5.026 40 30 EKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2cc(Cl)ccc2Cl)C1 ZINC000408563905 257896782 /nfs/dbraw/zinc/89/67/82/257896782.db2.gz SBKXBYWZNDIOSN-XZHRJIJLSA-N 0 0 340.294 6.095 40 30 EKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2cc(Cl)ccc2Cl)C1 ZINC000408563906 563479573 /nfs/dbraw/zinc/47/95/73/563479573.db2.gz SBKXBYWZNDIOSN-YLSINNKHSA-N 0 0 340.294 6.095 40 30 EKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2cccc(C(F)(F)F)c2)C1 ZINC000408564226 257896542 /nfs/dbraw/zinc/89/65/42/257896542.db2.gz WMXXEPOJYGHOPC-FNDVETGQSA-N 0 0 339.401 5.807 40 30 EKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2cccc(C(F)(F)F)c2)C1 ZINC000408564227 257896509 /nfs/dbraw/zinc/89/65/09/257896509.db2.gz WMXXEPOJYGHOPC-XTZCOPOCSA-N 0 0 339.401 5.807 40 30 EKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2cccc(Cl)c2Cl)C1 ZINC000408564241 563480037 /nfs/dbraw/zinc/48/00/37/563480037.db2.gz XCWNLQUBYGCZIK-XZHRJIJLSA-N 0 0 340.294 6.095 40 30 EKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2cccc(Cl)c2Cl)C1 ZINC000408564243 257896520 /nfs/dbraw/zinc/89/65/20/257896520.db2.gz XCWNLQUBYGCZIK-YLSINNKHSA-N 0 0 340.294 6.095 40 30 EKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2ccc(Cl)c(Cl)c2)C1 ZINC000408564345 563480334 /nfs/dbraw/zinc/48/03/34/563480334.db2.gz YWQGLEDADDESIM-XZHRJIJLSA-N 0 0 340.294 6.095 40 30 EKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccc(Cl)c(Cl)c2)C1 ZINC000408564346 563480383 /nfs/dbraw/zinc/48/03/83/563480383.db2.gz YWQGLEDADDESIM-YLSINNKHSA-N 0 0 340.294 6.095 40 30 EKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccccc2C(F)(F)F)C1 ZINC000408564353 563863803 /nfs/dbraw/zinc/86/38/03/563863803.db2.gz ZFSDMDRXSUFQSN-FNDVETGQSA-N 0 0 339.401 5.807 40 30 EKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2ccccc2C(F)(F)F)C1 ZINC000408564355 563863828 /nfs/dbraw/zinc/86/38/28/563863828.db2.gz ZFSDMDRXSUFQSN-XTZCOPOCSA-N 0 0 339.401 5.807 40 30 EKEBRN C(=NNc1ccccc1)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000408567397 257896800 /nfs/dbraw/zinc/89/68/00/257896800.db2.gz MMWGWZURYYKZIG-KGENOOAVSA-N 0 0 344.443 5.047 40 30 EKEBRN C=CCOc1cccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)c1 ZINC000408573345 563864121 /nfs/dbraw/zinc/86/41/21/563864121.db2.gz BYPDJNJPZRQAAT-LTGZKZEYSA-N 0 0 345.398 5.024 40 30 EKEBRN C=CCOc1ccc(NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 ZINC000408573909 563482610 /nfs/dbraw/zinc/48/26/10/563482610.db2.gz FFHVZKBATMJHGI-LTGZKZEYSA-N 0 0 345.398 5.024 40 30 EKEBRN C=CCOc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 ZINC000408575384 257896080 /nfs/dbraw/zinc/89/60/80/257896080.db2.gz KSOJKHYWXLNGSJ-ONNFQVAWSA-N 0 0 348.229 5.210 40 30 EKEBRN C=CCOc1cccc(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1 ZINC000408577148 563864704 /nfs/dbraw/zinc/86/47/04/563864704.db2.gz WYTGAMWXHCSIHI-CYBMUJFWSA-N 0 0 347.867 5.024 40 30 EKEBRN C=CCOc1cccc(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1 ZINC000408577161 257896091 /nfs/dbraw/zinc/89/60/91/257896091.db2.gz WYTGAMWXHCSIHI-ZDUSSCGKSA-N 0 0 347.867 5.024 40 30 EKEBRN CCCCCCCCOc1ccc(C(=O)Nc2cccc(F)c2)cc1 ZINC000408585646 563864970 /nfs/dbraw/zinc/86/49/70/563864970.db2.gz GUPUDAZABGEVIL-UHFFFAOYSA-N 0 0 343.442 5.817 40 30 EKEBRN CCCCCCCCOc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000408586176 563485848 /nfs/dbraw/zinc/48/58/48/563485848.db2.gz LRFPEDMZCKCSAR-UHFFFAOYSA-N 0 0 325.452 5.678 40 30 EKEBRN Cc1cc(C=NNc2ccccc2)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000408586928 563486611 /nfs/dbraw/zinc/48/66/11/563486611.db2.gz DCEGIRQOVUBLGK-LPYMAVHISA-N 0 0 337.854 5.502 40 30 EKEBRN CCCCCCCCOc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000408587179 563865276 /nfs/dbraw/zinc/86/52/76/563865276.db2.gz RSUMYSLKKBJWJM-UHFFFAOYSA-N 0 0 339.479 5.356 40 30 EKEBRN CCCCCCCCOc1ccc(C(=O)Nc2cccc(C)c2)cc1 ZINC000408587666 563865366 /nfs/dbraw/zinc/86/53/66/563865366.db2.gz SZCXZMNSJCXVIB-UHFFFAOYSA-N 0 0 339.479 5.987 40 30 EKEBRN CCCCCCCCOc1ccc(C(=O)Nc2cccc(O)c2)cc1 ZINC000408587816 257895005 /nfs/dbraw/zinc/89/50/05/257895005.db2.gz UUUBOTNHALTYMX-UHFFFAOYSA-N 0 0 341.451 5.384 40 30 EKEBRN Cc1cc(/C=N/c2oc(C)c(C)c2C#N)c(C)n1-c1ccc(F)cc1 ZINC000408587880 563486344 /nfs/dbraw/zinc/48/63/44/563486344.db2.gz HPWXDYHSXKYPJF-FOKLQQMPSA-N 0 0 335.382 5.065 40 30 EKEBRN Cc1cc(/C=N/c2oc(C)c(C)c2C#N)c(C)n1-c1ccc(C)cc1 ZINC000408588201 563865266 /nfs/dbraw/zinc/86/52/66/563865266.db2.gz IHNYCKHBMKZAAD-FSJBWODESA-N 0 0 331.419 5.235 40 30 EKEBRN CCCCCCCCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1 ZINC000408588440 563486631 /nfs/dbraw/zinc/48/66/31/563486631.db2.gz WGBXKECYZITSQS-UHFFFAOYSA-N 0 0 339.479 5.987 40 30 EKEBRN CCCCCCCCOc1ccc(C(=O)Nc2ccccc2F)cc1 ZINC000408588493 257895025 /nfs/dbraw/zinc/89/50/25/257895025.db2.gz WNZWKYPALLKYBF-UHFFFAOYSA-N 0 0 343.442 5.817 40 30 EKEBRN CCCCCCCCOc1ccc(C(=O)Nc2ccccc2C)cc1 ZINC000408588501 257895004 /nfs/dbraw/zinc/89/50/04/257895004.db2.gz WPDZAYDQOIZVJM-UHFFFAOYSA-N 0 0 339.479 5.987 40 30 EKEBRN Cc1cc(C=NNc2ccccc2)c(C)n1-c1cccc2ccccc21 ZINC000408588846 563865213 /nfs/dbraw/zinc/86/52/13/563865213.db2.gz JZQFDFGQVPFENT-LFVJCYFKSA-N 0 0 339.442 5.693 40 30 EKEBRN Cc1cc(/C=N/c2oc(C)c(C)c2C#N)c(C)n1-c1ccccc1C ZINC000408590320 563865356 /nfs/dbraw/zinc/86/53/56/563865356.db2.gz OYMLXCIUIHBMNV-FSJBWODESA-N 0 0 331.419 5.235 40 30 EKEBRN Cc1cc(/C=N/c2oc(C)c(C)c2C#N)c(C)n1-c1cccc(C)c1 ZINC000408590829 563865570 /nfs/dbraw/zinc/86/55/70/563865570.db2.gz QRHGJUZMUWGKCP-FSJBWODESA-N 0 0 331.419 5.235 40 30 EKEBRN Cc1cc(C=NNc2ccccc2)c(C)n1-c1cc(Cl)ccc1C ZINC000408591472 257895183 /nfs/dbraw/zinc/89/51/83/257895183.db2.gz UEZPGKXVFSCMBF-LPYMAVHISA-N 0 0 337.854 5.502 40 30 EKEBRN N#Cc1ccccc1CO/N=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000408591630 563865317 /nfs/dbraw/zinc/86/53/17/563865317.db2.gz JTBABPBIOXUEDI-WSDLNYQXSA-N 0 0 336.778 5.022 40 30 EKEBRN N#Cc1ccccc1CO/N=C\c1ccccc1Sc1ccccc1 ZINC000408593545 257895224 /nfs/dbraw/zinc/89/52/24/257895224.db2.gz BENHRUDOMUIBSH-HAHDFKILSA-N 0 0 344.439 5.260 40 30 EKEBRN N#Cc1ccccc1CO/N=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000408594200 257895227 /nfs/dbraw/zinc/89/52/27/257895227.db2.gz SVOFPOTZZSGWCB-WSDLNYQXSA-N 0 0 336.778 5.022 40 30 EKEBRN CC[C@@H](C)n1cc(/C=N/OCc2ccccc2C#N)c2ccccc21 ZINC000408594705 563865533 /nfs/dbraw/zinc/86/55/33/563865533.db2.gz JVTDTIKFYMBZFJ-DXRSZSRVSA-N 0 0 331.419 5.035 40 30 EKEBRN CC[C@H](C)n1cc(/C=N/OCc2ccccc2C#N)c2ccccc21 ZINC000408595015 563865612 /nfs/dbraw/zinc/86/56/12/563865612.db2.gz JVTDTIKFYMBZFJ-OHHQFBAHSA-N 0 0 331.419 5.035 40 30 EKEBRN Cc1ccc(Sc2ccc(/C=N/OCc3ccccc3C#N)o2)cc1 ZINC000408595069 257895109 /nfs/dbraw/zinc/89/51/09/257895109.db2.gz KGDLFUZFMOHAHM-LPYMAVHISA-N 0 0 348.427 5.162 40 30 EKEBRN N#Cc1ccccc1CO/N=C/c1ccc(Sc2ccccc2)cc1 ZINC000408595160 563865565 /nfs/dbraw/zinc/86/55/65/563865565.db2.gz KVQBGSKHTIVDRV-HZHRSRAPSA-N 0 0 344.439 5.260 40 30 EKEBRN N#Cc1ccccc1CO/N=C/c1c2ccccc2cc2ccccc21 ZINC000408595560 563865528 /nfs/dbraw/zinc/86/55/28/563865528.db2.gz XIKNWIKAHYVSEO-MFKUBSTISA-N 0 0 336.394 5.415 40 30 EKEBRN CC(C)COc1ccc(/C=N\c2sc3c(c2C#N)CCCC3)cc1 ZINC000408600188 257894793 /nfs/dbraw/zinc/89/47/93/257894793.db2.gz AFIJDKPSZHFXFQ-UUYOSTAYSA-N 0 0 338.476 5.284 40 30 EKEBRN CCCCOc1ccc(C=NNc2ccc(Br)cc2)cc1 ZINC000408600954 563865898 /nfs/dbraw/zinc/86/58/98/563865898.db2.gz HRYNXYOCUKHJIH-UYRXBGFRSA-N 0 0 347.256 5.074 40 30 EKEBRN CC(C)COc1ccccc1/C=N\c1sc2c(c1C#N)CCCC2 ZINC000408601822 563865886 /nfs/dbraw/zinc/86/58/86/563865886.db2.gz LLEPQYLNYUHGFX-UUYOSTAYSA-N 0 0 338.476 5.284 40 30 EKEBRN CC[C@H](C)Oc1ccccc1C=NNc1ccc(Br)cc1 ZINC000408601843 257894586 /nfs/dbraw/zinc/89/45/86/257894586.db2.gz LOMSAQVDBSPNEA-HCZVKUGISA-N 0 0 347.256 5.072 40 30 EKEBRN CC[C@@H](C)Oc1ccccc1C=NNc1ccc(Br)cc1 ZINC000408601846 563865905 /nfs/dbraw/zinc/86/59/05/563865905.db2.gz LOMSAQVDBSPNEA-KZKLBEMASA-N 0 0 347.256 5.072 40 30 EKEBRN C#CCOc1ccc2ccccc2c1CNc1ccc(F)c(Cl)c1 ZINC000408603079 563496927 /nfs/dbraw/zinc/49/69/27/563496927.db2.gz APBIQKGLVQLZDP-UHFFFAOYSA-N 0 0 339.797 5.256 40 30 EKEBRN C=CCOc1ccc(Cl)cc1CNc1ccc(F)c(Cl)c1 ZINC000408603109 257894141 /nfs/dbraw/zinc/89/41/41/257894141.db2.gz ATQIEUZTAISFCW-UHFFFAOYSA-N 0 0 326.198 5.309 40 30 EKEBRN CCCCOc1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1 ZINC000408604143 257894267 /nfs/dbraw/zinc/89/42/67/257894267.db2.gz SYMIUOZXEIDGMR-HYARGMPZSA-N 0 0 338.476 5.428 40 30 EKEBRN C=CCOc1ccc2ccccc2c1CNc1ccc(F)c(Cl)c1 ZINC000408604748 257894150 /nfs/dbraw/zinc/89/41/50/257894150.db2.gz DXWGSIYEZSCYQM-UHFFFAOYSA-N 0 0 341.813 5.809 40 30 EKEBRN CC[C@H](C)Oc1ccccc1/C=N\c1sc2c(c1C#N)CCCC2 ZINC000408605206 563865880 /nfs/dbraw/zinc/86/58/80/563865880.db2.gz XNMVUFWLXLSLQW-CRRPLPBISA-N 0 0 338.476 5.426 40 30 EKEBRN C#CCOc1ccc(CNc2ccc(Cl)cc2Cl)cc1Cl ZINC000408605875 563495677 /nfs/dbraw/zinc/49/56/77/563495677.db2.gz HABHCUGYCUWAAS-UHFFFAOYSA-N 0 0 340.637 5.271 40 30 EKEBRN C=CCOc1ccc(CNc2ccc(F)c(Cl)c2)cc1OCC ZINC000408606584 563495792 /nfs/dbraw/zinc/49/57/92/563495792.db2.gz ITWRAWZOXPPPDB-UHFFFAOYSA-N 0 0 335.806 5.055 40 30 EKEBRN C=CCOc1ccc(Cl)cc1CNc1ccc(Cl)cc1Cl ZINC000408607216 257894260 /nfs/dbraw/zinc/89/42/60/257894260.db2.gz JYCZYKZRWZKFIM-UHFFFAOYSA-N 0 0 342.653 5.824 40 30 EKEBRN C#CCOc1ccc(Cl)cc1CNc1ccc(Cl)cc1Cl ZINC000408608024 563496508 /nfs/dbraw/zinc/49/65/08/563496508.db2.gz LXPCEYJWLLMLQD-UHFFFAOYSA-N 0 0 340.637 5.271 40 30 EKEBRN C#CCn1cc(CNc2ccc(Cl)cc2Cl)c2ccccc21 ZINC000408611563 563865578 /nfs/dbraw/zinc/86/55/78/563865578.db2.gz TXNULEZIUMGXQI-UHFFFAOYSA-N 0 0 329.230 5.193 40 30 EKEBRN C=CCOc1ccc(NC(=O)c2cc3c(ccc4ccccc34)o2)cc1 ZINC000408616507 563500319 /nfs/dbraw/zinc/50/03/19/563500319.db2.gz ABLUGDAJOPKZSG-UHFFFAOYSA-N 0 0 343.382 5.403 40 30 EKEBRN O=C(/C=C/c1cccc(OCc2ccccc2Cl)c1)c1ccccc1 ZINC000408618054 563866186 /nfs/dbraw/zinc/86/61/86/563866186.db2.gz BTUIYPKWEYWUAS-BUHFOSPRSA-N 0 0 348.829 5.815 40 30 EKEBRN N#Cc1ccccc1COc1ccc(/C=C/C(=O)c2ccccc2)cc1 ZINC000408618516 563498697 /nfs/dbraw/zinc/49/86/97/563498697.db2.gz DDWORGSJYSQSLT-NTCAYCPXSA-N 0 0 339.394 5.033 40 30 EKEBRN Cc1ccc(-c2ccc(/C=C/C(=O)c3ccccc3)o2)cc1[N+](=O)[O-] ZINC000408618662 257894424 /nfs/dbraw/zinc/89/44/24/257894424.db2.gz DVUBYPUMSDWXMN-PKNBQFBNSA-N 0 0 333.343 5.059 40 30 EKEBRN CCOc1ccc(-n2c(C)cc(/C=C/C(=O)c3ccccc3)c2C)cc1 ZINC000408619073 563866263 /nfs/dbraw/zinc/86/62/63/563866263.db2.gz FXHGCANSAOKJGA-XNTDXEJSSA-N 0 0 345.442 5.389 40 30 EKEBRN O=C(/C=C/c1ccccc1OCc1ccccc1Cl)c1ccccc1 ZINC000408619087 563866270 /nfs/dbraw/zinc/86/62/70/563866270.db2.gz FYIMRPGLBKRGAS-CCEZHUSRSA-N 0 0 348.829 5.815 40 30 EKEBRN Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 ZINC000408620463 563866216 /nfs/dbraw/zinc/86/62/16/563866216.db2.gz JAPXLWXMZWSARW-MDWZMJQESA-N 0 0 335.834 5.644 40 30 EKEBRN Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 ZINC000408620526 257893701 /nfs/dbraw/zinc/89/37/01/257893701.db2.gz JVMKNORDXOZTCF-VAWYXSNFSA-N 0 0 335.834 5.644 40 30 EKEBRN Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000408621398 563866205 /nfs/dbraw/zinc/86/62/05/563866205.db2.gz LZCYEILNYXVGCA-ZRDIBKRKSA-N 0 0 349.861 5.952 40 30 EKEBRN Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1cc(Cl)ccc1C ZINC000408621659 257893694 /nfs/dbraw/zinc/89/36/94/257893694.db2.gz NCSQHUXNECCREP-ZRDIBKRKSA-N 0 0 349.861 5.952 40 30 EKEBRN Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1oc(C)c(C)c1C#N ZINC000408622548 563865888 /nfs/dbraw/zinc/86/58/88/563865888.db2.gz PYTXNORJVWUCIG-ZHACJKMWSA-N 0 0 344.414 5.072 40 30 EKEBRN O=C(/C=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1 ZINC000408624454 563502504 /nfs/dbraw/zinc/50/25/04/563502504.db2.gz UHIPRDOBKWTHBD-SDNWHVSQSA-N 0 0 348.829 5.815 40 30 EKEBRN O=C(/C=C/c1ccccc1OCc1cccc(Cl)c1)c1ccccc1 ZINC000408625436 563865900 /nfs/dbraw/zinc/86/59/00/563865900.db2.gz YEMPLOWMCZLNHK-BUHFOSPRSA-N 0 0 348.829 5.815 40 30 EKEBRN O=C(/C=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccccc1 ZINC000408625489 563865909 /nfs/dbraw/zinc/86/59/09/563865909.db2.gz YIJPNJANGRLCSO-NTCAYCPXSA-N 0 0 348.829 5.815 40 30 EKEBRN O=C(/C=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 ZINC000408625649 563865858 /nfs/dbraw/zinc/86/58/58/563865858.db2.gz YVSNAJZXHRAGMS-NTCAYCPXSA-N 0 0 348.829 5.815 40 30 EKEBRN Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1ccccc1Cl ZINC000408625828 563865876 /nfs/dbraw/zinc/86/58/76/563865876.db2.gz ZGMIFLOXMLIPFC-OUKQBFOZSA-N 0 0 335.834 5.644 40 30 EKEBRN C=CCOc1cccc(NC(=O)c2cc3c(ccc4ccccc34)o2)c1 ZINC000408629695 257893367 /nfs/dbraw/zinc/89/33/67/257893367.db2.gz GHYAABVRKMKKKM-UHFFFAOYSA-N 0 0 343.382 5.403 40 30 EKEBRN COc1ccc(C(=O)/C=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1 ZINC000408652414 563519855 /nfs/dbraw/zinc/51/98/55/563519855.db2.gz IBHAHYIRCBWJQB-JLHYYAGUSA-N 0 0 345.442 5.307 40 30 EKEBRN C=CCOc1cccc(NC(=O)c2ccccc2SC(C)C)c1 ZINC000408680884 563558903 /nfs/dbraw/zinc/55/89/03/563558903.db2.gz SIZFTRPFECQCJV-UHFFFAOYSA-N 0 0 327.449 5.004 40 30 EKEBRN Cc1ccc(COc2ccc(/C=C/C(=O)c3ccc(C)cc3)cc2)cc1 ZINC000408691537 563866890 /nfs/dbraw/zinc/86/68/90/563866890.db2.gz CPPXKGSXWGJALC-LFIBNONCSA-N 0 0 342.438 5.779 40 30 EKEBRN Cc1ccc(C(=O)/C=C/c2ccc(OC(C)C)cc2OC(C)C)cc1 ZINC000408691546 563866928 /nfs/dbraw/zinc/86/69/28/563866928.db2.gz DJCBQJGADMQKFY-ACCUITESSA-N 0 0 338.447 5.466 40 30 EKEBRN Cc1ccc(C(=O)/C=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)cc1 ZINC000408691674 563866908 /nfs/dbraw/zinc/86/69/08/563866908.db2.gz LEPPKPDHIIROHE-PKNBQFBNSA-N 0 0 347.370 5.368 40 30 EKEBRN Cc1cc(/C=C/C(=O)c2ccc(C)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000408691986 563572449 /nfs/dbraw/zinc/57/24/49/563572449.db2.gz ANQNZOAHHROEJT-MDWZMJQESA-N 0 0 349.861 5.952 40 30 EKEBRN Cc1cc(/C=C/C(=O)c2ccc(C)cc2)c(C)n1-c1ccc(F)cc1 ZINC000408692061 257892932 /nfs/dbraw/zinc/89/29/32/257892932.db2.gz CMUWSYKXOLAPSE-MDWZMJQESA-N 0 0 333.406 5.438 40 30 EKEBRN Cc1ccc(C(=O)/C=C/c2c(OC(C)C)ccc3ccccc32)cc1 ZINC000408692117 563572447 /nfs/dbraw/zinc/57/24/47/563572447.db2.gz DSMAQIMDKNHROC-BUHFOSPRSA-N 0 0 330.427 5.832 40 30 EKEBRN Cc1ccc(COc2cccc(/C=C/C(=O)c3ccc(C)cc3)c2)cc1 ZINC000408692187 563867172 /nfs/dbraw/zinc/86/71/72/563867172.db2.gz GRZKJVFBUVILHI-NTCAYCPXSA-N 0 0 342.438 5.779 40 30 EKEBRN CCn1c2ccccc2nc1NN=C(C)c1cccc2ccccc21 ZINC000408692218 563867219 /nfs/dbraw/zinc/86/72/19/563867219.db2.gz HJEDVCSVGLQPLM-HAHDFKILSA-N 0 0 328.419 5.046 40 30 EKEBRN Cc1cc(/C=C/C(=O)c2ccc(C)cc2)c(C)n1-c1cccc(C)c1 ZINC000408692254 257892870 /nfs/dbraw/zinc/89/28/70/257892870.db2.gz IOEQLHVAWBBMOV-OUKQBFOZSA-N 0 0 329.443 5.607 40 30 EKEBRN CCCOc1ccc2ccccc2c1/C=C/C(=O)c1ccc(C)cc1 ZINC000408692263 563867271 /nfs/dbraw/zinc/86/72/71/563867271.db2.gz IRZSBYGGQMTJLC-BUHFOSPRSA-N 0 0 330.427 5.833 40 30 EKEBRN Cc1cc(/C=C/C(=O)c2ccc(C)cc2)c(C)n1-c1ccc(C)cc1 ZINC000408692366 563573500 /nfs/dbraw/zinc/57/35/00/563573500.db2.gz KWWZBXRLXUPKMC-SDNWHVSQSA-N 0 0 329.443 5.607 40 30 EKEBRN Cc1cc(/C=C/C(=O)c2ccc(C)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000408692600 563867243 /nfs/dbraw/zinc/86/72/43/563867243.db2.gz QKGPPVOFLVEBLP-VAWYXSNFSA-N 0 0 349.861 5.952 40 30 EKEBRN Cc1cc(/C=C/C(=O)c2ccc(C)cc2)c(C)n1-c1ccccc1C ZINC000408692606 563867275 /nfs/dbraw/zinc/86/72/75/563867275.db2.gz QOJWNLXEBYFMLV-BUHFOSPRSA-N 0 0 329.443 5.607 40 30 EKEBRN COc1ccc(-n2c(C)cc(/C=C/C(=O)c3ccc(C)cc3)c2C)cc1 ZINC000408692627 257892878 /nfs/dbraw/zinc/89/28/78/257892878.db2.gz RBFCAYJRAQWYOQ-NTEUORMPSA-N 0 0 345.442 5.307 40 30 EKEBRN Cc1cc(/C=C/C(=O)c2ccc(C)cc2)c(C)n1-c1ccccc1Cl ZINC000408692644 563867236 /nfs/dbraw/zinc/86/72/36/563867236.db2.gz RMBQBDHYVGQLCX-OUKQBFOZSA-N 0 0 349.861 5.952 40 30 EKEBRN CCn1c2ccccc2nc1NN=C(C)c1ccc(C(C)(C)C)cc1 ZINC000408692668 563867298 /nfs/dbraw/zinc/86/72/98/563867298.db2.gz RWWNTXCUDQSANU-HAHDFKILSA-N 0 0 334.467 5.190 40 30 EKEBRN C#CCOc1ccc2ccccc2c1/C=C/C(=O)c1ccc(C)cc1 ZINC000408692958 563867177 /nfs/dbraw/zinc/86/71/77/563867177.db2.gz ZGTFFQFXBWXNLH-BUHFOSPRSA-N 0 0 326.395 5.056 40 30 EKEBRN C=CCc1cc(C(=O)Nc2ccccc2-c2ccccc2)ccc1OC ZINC000408703415 563867507 /nfs/dbraw/zinc/86/75/07/563867507.db2.gz RGJQPPFTMSUKIB-UHFFFAOYSA-N 0 0 343.426 5.343 40 30 EKEBRN CCCCCCCCCCNC(=O)C(=O)Nc1ccccc1C(C)C ZINC000408707442 563867844 /nfs/dbraw/zinc/86/78/44/563867844.db2.gz BAYOMBQEEOXYGY-UHFFFAOYSA-N 0 0 346.515 5.005 40 30 EKEBRN CCCCCCCCCCNC(=O)C(=O)Nc1ccc(C(C)C)cc1 ZINC000408708693 257892108 /nfs/dbraw/zinc/89/21/08/257892108.db2.gz KYQBPVDNDBVZGG-UHFFFAOYSA-N 0 0 346.515 5.005 40 30 EKEBRN C(=N/c1ccc(-c2nnc(-c3ccccc3)o2)cc1)\c1ccccc1 ZINC000408718284 257891141 /nfs/dbraw/zinc/89/11/41/257891141.db2.gz QLKBIWRVUNDQLX-PXLXIMEGSA-N 0 0 325.371 5.154 40 30 EKEBRN Cc1ccc(NN=Cc2ccc(-c3ccc([N+](=O)[O-])c(C)c3)o2)c(C)c1 ZINC000408719099 563868471 /nfs/dbraw/zinc/86/84/71/563868471.db2.gz IZEDZKSNOASOHJ-CIAFOILYSA-N 0 0 349.390 5.226 40 30 EKEBRN CCCCCCCCCCCOC(=O)c1ccc2nccnc2c1 ZINC000408721916 563869076 /nfs/dbraw/zinc/86/90/76/563869076.db2.gz MWSUZRAFJKJLFM-UHFFFAOYSA-N 0 0 328.456 5.317 40 30 EKEBRN CC(C)c1ccc(/C=N/c2nc3c(s2)-c2ccccc2CC3)cc1 ZINC000408722203 563868980 /nfs/dbraw/zinc/86/89/80/563868980.db2.gz FELMLTKLITUVTA-LPYMAVHISA-N 0 0 332.472 5.783 40 30 EKEBRN Cc1oc(/N=C/c2ccc(OCc3ccccc3)cc2)c(C#N)c1C ZINC000408722935 563868933 /nfs/dbraw/zinc/86/89/33/563868933.db2.gz IKTNZIMOMLNKSM-YDZHTSKRSA-N 0 0 330.387 5.098 40 30 EKEBRN CCOc1ccc(/C=N/c2nc3c(s2)-c2ccccc2CC3)cc1 ZINC000408723642 563868419 /nfs/dbraw/zinc/86/84/19/563868419.db2.gz YQHMBOPYCNYNLS-FYJGNVAPSA-N 0 0 334.444 5.058 40 30 EKEBRN Clc1ccc(-c2ccc(CN=Nc3ccccn3)o2)c(Cl)c1 ZINC000408729589 563869825 /nfs/dbraw/zinc/86/98/25/563869825.db2.gz HCPFKKGVJRSGSR-JMIUGGIZSA-N 0 0 332.190 5.094 40 30 EKEBRN Clc1ccc(-c2ccc(CN=Nc3ccccn3)o2)cc1Cl ZINC000408730111 563869801 /nfs/dbraw/zinc/86/98/01/563869801.db2.gz NJRIJULZKOMQNK-JMIUGGIZSA-N 0 0 332.190 5.094 40 30 EKEBRN C=CCN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1ccccc1 ZINC000408730307 563869793 /nfs/dbraw/zinc/86/97/93/563869793.db2.gz PHQREFLWWUQVBZ-VJZPTHRXSA-N 0 0 346.455 5.033 40 30 EKEBRN CCCCCCCCCCCOC(=O)NC(=S)c1cccnc1 ZINC000408731583 563633001 /nfs/dbraw/zinc/63/30/01/563633001.db2.gz LXVMBPYLSLBPRP-UHFFFAOYSA-N 0 0 336.501 5.014 40 30 EKEBRN CCCCCCCCCCCOC(=O)c1ccc2c(c1)nc(C)n2C ZINC000408732504 563869339 /nfs/dbraw/zinc/86/93/39/563869339.db2.gz VXIIVIVXISWYOH-UHFFFAOYSA-N 0 0 344.499 5.569 40 30 EKEBRN CCCCCCCCNC(=O)NC(=S)c1cccc2ccccc21 ZINC000408732615 563869692 /nfs/dbraw/zinc/86/96/92/563869692.db2.gz SOGMDVQVOUKQHA-UHFFFAOYSA-N 0 0 342.508 5.175 40 30 EKEBRN CCOc1ccc(/N=C/c2ccc(N3Cc4ccccc4C3)cc2)cc1 ZINC000408732950 563869686 /nfs/dbraw/zinc/86/96/86/563869686.db2.gz BUQVFEHOEHGSCD-BUVRLJJBSA-N 0 0 342.442 5.356 40 30 EKEBRN Clc1ccc(/C=N/c2ccc(N3Cc4ccccc4C3)cc2)cc1 ZINC000408733416 563870392 /nfs/dbraw/zinc/87/03/92/563870392.db2.gz IVKBLKLDNWJIAU-YDZHTSKRSA-N 0 0 332.834 5.611 40 30 EKEBRN Cc1cc2c(cc1C)CN(c1ccc(/C=N/c3ccc(F)cc3)cc1)C2 ZINC000408733763 563870429 /nfs/dbraw/zinc/87/04/29/563870429.db2.gz QBNXHQCVLVUZDX-DHRITJCHSA-N 0 0 344.433 5.713 40 30 EKEBRN Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3ccccc3F)cc1)C2 ZINC000408733945 257890230 /nfs/dbraw/zinc/89/02/30/257890230.db2.gz SROHVPHHMOOSSQ-DHRITJCHSA-N 0 0 344.433 5.713 40 30 EKEBRN Cc1cc2c(cc1C)CN(c1ccc(/C=N/c3ccccc3F)cc1)C2 ZINC000408734226 563633662 /nfs/dbraw/zinc/63/36/62/563633662.db2.gz IQQIPQAFQAIJHJ-DHRITJCHSA-N 0 0 344.433 5.713 40 30 EKEBRN Clc1ccccc1/N=C/c1ccc(N2Cc3ccccc3C2)cc1 ZINC000408734231 563869799 /nfs/dbraw/zinc/86/97/99/563869799.db2.gz VGQJJSAGOFZAID-YDZHTSKRSA-N 0 0 332.834 5.611 40 30 EKEBRN CCOc1ccc(/C=N/c2ccc(N3Cc4ccccc4C3)cc2)cc1 ZINC000408734267 257890376 /nfs/dbraw/zinc/89/03/76/257890376.db2.gz VWZXWWLCQYZERJ-BUVRLJJBSA-N 0 0 342.442 5.356 40 30 EKEBRN CCOc1ccccc1/N=C/c1ccc(N2Cc3ccccc3C2)cc1 ZINC000408734366 563633969 /nfs/dbraw/zinc/63/39/69/563633969.db2.gz YUSOLWPSPYOILZ-BUVRLJJBSA-N 0 0 342.442 5.356 40 30 EKEBRN Cc1cc2c(cc1C)CN(c1ccc(/N=C/c3ccc(F)cc3)cc1)C2 ZINC000408734585 563870167 /nfs/dbraw/zinc/87/01/67/563870167.db2.gz YTLYBHJWLHNEGF-DHRITJCHSA-N 0 0 344.433 5.713 40 30 EKEBRN C=CCOc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736113 563870316 /nfs/dbraw/zinc/87/03/16/563870316.db2.gz FQQMHBGBFFHAMO-LQWHRVPQSA-N 0 0 337.850 5.731 40 30 EKEBRN N#CCOc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736222 563870455 /nfs/dbraw/zinc/87/04/55/563870455.db2.gz MKVYJRFZOGXJOV-UWVAXJGDSA-N 0 0 336.822 5.069 40 30 EKEBRN N#CCOc1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736629 563870737 /nfs/dbraw/zinc/87/07/37/563870737.db2.gz XXQFNCTZPLGLHN-GJYPPUQNSA-N 0 0 336.822 5.069 40 30 EKEBRN C=CCOc1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736664 563870730 /nfs/dbraw/zinc/87/07/30/563870730.db2.gz ZVJYTLOJHGZGAG-UWVAXJGDSA-N 0 0 337.850 5.731 40 30 EKEBRN Fc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 ZINC000408736988 257889881 /nfs/dbraw/zinc/88/98/81/257889881.db2.gz FTFPJLMRXMFSCD-LFVJCYFKSA-N 0 0 341.389 5.429 40 30 EKEBRN Cc1ccc(-c2cc(/N=C\c3ccccc3)n(-c3ccccc3)n2)cc1 ZINC000408737101 563870739 /nfs/dbraw/zinc/87/07/39/563870739.db2.gz ISNFHUBPEOSERZ-ULJHMMPZSA-N 0 0 337.426 5.598 40 30 EKEBRN CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000408737298 257889770 /nfs/dbraw/zinc/88/97/70/257889770.db2.gz BJJNWNIXNSHBCG-HZHRSRAPSA-N 0 0 346.430 5.021 40 30 EKEBRN Cc1cc(/C=N/c2ccc(C)c([N+](=O)[O-])c2)c(C)n1-c1ccc(C)cc1 ZINC000408737355 563870719 /nfs/dbraw/zinc/87/07/19/563870719.db2.gz CJOMJHVHAPIEKM-LPYMAVHISA-N 0 0 347.418 5.370 40 30 EKEBRN COc1ccc(/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1Cl ZINC000408737427 563635353 /nfs/dbraw/zinc/63/53/53/563635353.db2.gz AFUKPFNKHIIGOU-LPYMAVHISA-N 0 0 338.838 5.507 40 30 EKEBRN C=CCOc1ccc(CN=Nc2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000408737430 563870765 /nfs/dbraw/zinc/87/07/65/563870765.db2.gz QGCLIVKKTHSJRW-FYJGNVAPSA-N 0 0 349.459 5.129 40 30 EKEBRN Cc1cc(/C=N/c2cc(C)ccc2C)c(C)n1-c1ccc(Cl)cc1 ZINC000408737478 563870762 /nfs/dbraw/zinc/87/07/62/563870762.db2.gz BGODOXJLHHMJJY-YDZHTSKRSA-N 0 0 336.866 6.115 40 30 EKEBRN Cc1cc(/C=N/c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccccc1 ZINC000408737494 563870754 /nfs/dbraw/zinc/87/07/54/563870754.db2.gz BQEMYLPCWGXZBU-WSDLNYQXSA-N 0 0 343.257 6.152 40 30 EKEBRN Cc1cc(/C=N/c2cccc3cccnc32)c(C)n1-c1ccc(F)cc1 ZINC000408737509 257890005 /nfs/dbraw/zinc/89/00/05/257890005.db2.gz CEIUMJKHTMBESY-AFUMVMLFSA-N 0 0 343.405 5.532 40 30 EKEBRN Cc1cc(/C=N/c2ccc(C)cc2C)c(C)n1-c1ccc(Cl)cc1 ZINC000408737562 563870775 /nfs/dbraw/zinc/87/07/75/563870775.db2.gz DGBGOLNUIUWFEE-YDZHTSKRSA-N 0 0 336.866 6.115 40 30 EKEBRN Cc1cc(/C=N/c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(F)cc1 ZINC000408737611 563870753 /nfs/dbraw/zinc/87/07/53/563870753.db2.gz FPGWWCWUMXTEPI-MFKUBSTISA-N 0 0 348.465 6.281 40 30 EKEBRN C=CCOc1ccccc1CN=Nc1nc(-c2ccc(C)cc2)cs1 ZINC000408737691 563871026 /nfs/dbraw/zinc/87/10/26/563871026.db2.gz VEOZYEZCKLKQHK-FYJGNVAPSA-N 0 0 349.459 5.129 40 30 EKEBRN Cc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1-c1ccc(F)cc1 ZINC000408737711 257889777 /nfs/dbraw/zinc/88/97/77/257889777.db2.gz FVIJKMGPQUMSDG-ZVHZXABRSA-N 0 0 334.438 6.107 40 30 EKEBRN Cc1cc(/C=N/c2cccc3ccccc32)c(C)n1-c1ccc(F)cc1 ZINC000408737756 563871120 /nfs/dbraw/zinc/87/11/20/563871120.db2.gz GPUKUUYMJSZLAM-MFKUBSTISA-N 0 0 342.417 6.137 40 30 EKEBRN Cc1cc(/C=N/c2ccc(C)c(C)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000408737793 563870342 /nfs/dbraw/zinc/87/03/42/563870342.db2.gz HCKUTWRBVKESQS-YDZHTSKRSA-N 0 0 336.866 6.115 40 30 EKEBRN Cc1cc(/C=N/c2ccc(F)c(C)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000408737884 563871110 /nfs/dbraw/zinc/87/11/10/563871110.db2.gz IRVZPXMKZRSRRL-FSJBWODESA-N 0 0 340.829 5.946 40 30 EKEBRN Cc1cc(/C=N/c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(C)cc1 ZINC000408738030 257889918 /nfs/dbraw/zinc/88/99/18/257889918.db2.gz ICJLNNFUYMCHSR-FYJGNVAPSA-N 0 0 333.391 5.061 40 30 EKEBRN CCOc1ccccc1/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000408738036 563870969 /nfs/dbraw/zinc/87/09/69/563870969.db2.gz MHHZCBDFEWBTJK-OEAKJJBVSA-N 0 0 336.410 5.383 40 30 EKEBRN Cc1cc(/C=N/c2cccc(Cl)c2)c(C)n1-c1ccc(F)cc1 ZINC000408738040 257889935 /nfs/dbraw/zinc/88/99/35/257889935.db2.gz MJHVEWQMVMFGLY-WSDLNYQXSA-N 0 0 326.802 5.637 40 30 EKEBRN CCOC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccccc3)c2C)c1 ZINC000408738046 563871377 /nfs/dbraw/zinc/87/13/77/563871377.db2.gz MLCFCQVCUNSOBM-HZHRSRAPSA-N 0 0 346.430 5.021 40 30 EKEBRN Cc1cc(/C=N/c2ccc(Cl)cc2)c(C)n1-c1ccc(F)cc1 ZINC000408738066 563871390 /nfs/dbraw/zinc/87/13/90/563871390.db2.gz MPEGSUXGGVPRLA-WSDLNYQXSA-N 0 0 326.802 5.637 40 30 EKEBRN CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000408738067 563871332 /nfs/dbraw/zinc/87/13/32/563871332.db2.gz MTMPNCFORSTEIJ-JJIBRWJFSA-N 0 0 345.490 5.691 40 30 EKEBRN Cc1cc(/C=N/c2cc(C)cc(C)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000408738083 563871388 /nfs/dbraw/zinc/87/13/88/563871388.db2.gz NECLMGWQZYJMPX-YDZHTSKRSA-N 0 0 336.866 6.115 40 30 EKEBRN Cc1cc(/C=N/c2cccc(C)c2C)c(C)n1-c1ccc(Cl)cc1 ZINC000408738085 563871366 /nfs/dbraw/zinc/87/13/66/563871366.db2.gz NGSKQTDMGVNKDZ-YDZHTSKRSA-N 0 0 336.866 6.115 40 30 EKEBRN COc1ccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 ZINC000408738101 563871385 /nfs/dbraw/zinc/87/13/85/563871385.db2.gz NTJQWCBMKSKJSC-LPYMAVHISA-N 0 0 338.838 5.507 40 30 EKEBRN Cc1cc(/C=N/c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000408738152 563871337 /nfs/dbraw/zinc/87/13/37/563871337.db2.gz QXANOKBWHJTKTA-WSDLNYQXSA-N 0 0 326.802 5.637 40 30 EKEBRN Cc1cc(/C=N/c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000408738235 563871322 /nfs/dbraw/zinc/87/13/22/563871322.db2.gz SJMZEOQPXIOMPP-WSDLNYQXSA-N 0 0 343.257 6.152 40 30 EKEBRN COc1cccc(/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 ZINC000408738283 563871335 /nfs/dbraw/zinc/87/13/35/563871335.db2.gz UATCCEAFMVFWHC-LPYMAVHISA-N 0 0 338.838 5.507 40 30 EKEBRN COc1ccccc1/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000408738329 563871395 /nfs/dbraw/zinc/87/13/95/563871395.db2.gz VAEFLCIVJHKURS-LPYMAVHISA-N 0 0 338.838 5.507 40 30 EKEBRN CC(=O)c1cccc(N=Cc2cc(C)n(-c3ccc(F)cc3)c2C)c1 ZINC000408738379 563635277 /nfs/dbraw/zinc/63/52/77/563635277.db2.gz WGEUXBJJRRYARL-YDZHTSKRSA-N 0 0 334.394 5.186 40 30 EKEBRN Cc1cc(/C=N/c2ccc(N(C)C)cc2)c(C)n1-c1ccc(F)cc1 ZINC000408738395 563870981 /nfs/dbraw/zinc/87/09/81/563870981.db2.gz WQMDBSDBHRGBJC-OEAKJJBVSA-N 0 0 335.426 5.050 40 30 EKEBRN Cc1cc(/C=N/c2cccc3cccnc32)c(C)n1-c1ccccc1 ZINC000408738421 257890050 /nfs/dbraw/zinc/89/00/50/257890050.db2.gz XINXCVILCWGJJM-BUVRLJJBSA-N 0 0 325.415 5.393 40 30 EKEBRN CCOc1cccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1 ZINC000408738469 563871107 /nfs/dbraw/zinc/87/11/07/563871107.db2.gz YAXRHSIQRBLTBW-OEAKJJBVSA-N 0 0 336.410 5.383 40 30 EKEBRN CCOc1cccc(/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c1 ZINC000408738715 563871691 /nfs/dbraw/zinc/87/16/91/563871691.db2.gz MZYVEFVJVJQHCM-HZHRSRAPSA-N 0 0 332.447 5.552 40 30 EKEBRN Cc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1-c1ccc(C)cc1 ZINC000408738753 563872012 /nfs/dbraw/zinc/87/20/12/563872012.db2.gz NSJDKJXPOHISEH-BUVRLJJBSA-N 0 0 330.475 6.277 40 30 EKEBRN Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2C)c(C)n1-c1ccccc1 ZINC000408738933 563872011 /nfs/dbraw/zinc/87/20/11/563872011.db2.gz QFGZFYJPOHTYFH-FYJGNVAPSA-N 0 0 333.391 5.061 40 30 EKEBRN CC(=O)c1cccc(N=Cc2cc(C)n(-c3ccc(C)cc3)c2C)c1 ZINC000408739016 563872006 /nfs/dbraw/zinc/87/20/06/563872006.db2.gz RJTSXRPCNQNKMM-OEAKJJBVSA-N 0 0 330.431 5.356 40 30 EKEBRN Cc1cc(/C=N/c2cccc3cccnc32)c(C)n1-c1ccc(C)cc1 ZINC000408739069 257889956 /nfs/dbraw/zinc/88/99/56/257889956.db2.gz SMYLCNZQMKVLSO-MFKUBSTISA-N 0 0 339.442 5.701 40 30 EKEBRN Cc1cc(/C=N\c2cc(C)cc(C)c2)c(C)n1-c1ccc(C)c(C)c1 ZINC000408739355 563871644 /nfs/dbraw/zinc/87/16/44/563871644.db2.gz BEXZUIJDMIGDMV-OYKKKHCWSA-N 0 0 330.475 6.078 40 30 EKEBRN Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)c(C)n1C1CCCCC1 ZINC000408739372 257889994 /nfs/dbraw/zinc/88/99/94/257889994.db2.gz BHDVNTOHMAUAAR-DEDYPNTBSA-N 0 0 325.412 5.269 40 30 EKEBRN CCc1ccc(/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 ZINC000408739435 563871621 /nfs/dbraw/zinc/87/16/21/563871621.db2.gz BYNNUZWLEIHJKV-IWIPYMOSSA-N 0 0 330.475 6.024 40 30 EKEBRN Cc1cc(/C=N/c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(C)cc1 ZINC000408739461 257889936 /nfs/dbraw/zinc/88/99/36/257889936.db2.gz WOEVADOBQWXYKH-PCLIKHOPSA-N 0 0 344.502 6.451 40 30 EKEBRN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1C1CCCCC1 ZINC000408739478 563871710 /nfs/dbraw/zinc/87/17/10/563871710.db2.gz CFLPVXHUECLFKS-UHFFFAOYSA-N 0 0 333.431 5.073 40 30 EKEBRN CCOc1cccc(/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c1 ZINC000408739480 563871613 /nfs/dbraw/zinc/87/16/13/563871613.db2.gz CGALVKRYGXXIOE-IWIPYMOSSA-N 0 0 346.474 5.860 40 30 EKEBRN Cc1cc(/C=N/c2cccc3ccccc32)c(C)n1-c1ccc(C)cc1 ZINC000408739523 563871671 /nfs/dbraw/zinc/87/16/71/563871671.db2.gz XGWUWHBRUGDNHI-PCLIKHOPSA-N 0 0 338.454 6.306 40 30 EKEBRN CC(=O)Nc1ccc(/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 ZINC000408739669 563639461 /nfs/dbraw/zinc/63/94/61/563639461.db2.gz YVEWQXWOQDPCJL-OEAKJJBVSA-N 0 0 345.446 5.112 40 30 EKEBRN Cc1cc(/C=N/c2ccc(C)c([N+](=O)[O-])c2)c(C)n1C1CCCCC1 ZINC000408739770 563872009 /nfs/dbraw/zinc/87/20/09/563872009.db2.gz FOGHQWODBGJUEV-FYJGNVAPSA-N 0 0 339.439 5.577 40 30 EKEBRN Cc1cc(/C=N\c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(C)c(C)c1 ZINC000408739830 563872013 /nfs/dbraw/zinc/87/20/13/563872013.db2.gz FYXZLMDDRQKQIP-XKZIYDEJSA-N 0 0 347.418 5.370 40 30 EKEBRN Cc1cc(/C=N/c2ccc(C(C)(C)C)cc2)c(C)n1C1CCCCC1 ZINC000408739933 563872021 /nfs/dbraw/zinc/87/20/21/563872021.db2.gz GVIIMOQVTCJDEY-LFVJCYFKSA-N 0 0 336.523 6.658 40 30 EKEBRN Cc1cc(/C=N\c2cccc(Cl)c2)c(C)n1-c1ccc(C)c(C)c1 ZINC000408739959 563639556 /nfs/dbraw/zinc/63/95/56/563639556.db2.gz GZLGXYRDBKICGM-QRVIBDJDSA-N 0 0 336.866 6.115 40 30 EKEBRN CC(=O)c1cccc(N=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)c1 ZINC000408740014 563871992 /nfs/dbraw/zinc/87/19/92/563871992.db2.gz HPTBMOAGXVCGGI-OYKKKHCWSA-N 0 0 344.458 5.664 40 30 EKEBRN Cc1cc(/C=N/c2cc(Cl)cc(Cl)c2)c(C)n1C1CCCCC1 ZINC000408740026 563639488 /nfs/dbraw/zinc/63/94/88/563639488.db2.gz HUONRHPBNFFNQH-WSDLNYQXSA-N 0 0 349.305 6.668 40 30 EKEBRN CCc1ccc(/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 ZINC000408740142 563872023 /nfs/dbraw/zinc/87/20/23/563872023.db2.gz ITEFJRBLOWGFCD-LFVJCYFKSA-N 0 0 345.490 5.473 40 30 EKEBRN Cc1cc(/C=N/c2ccc(F)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408740216 563871965 /nfs/dbraw/zinc/87/19/65/563871965.db2.gz JIJPPTUCLLQAHY-OEAKJJBVSA-N 0 0 335.426 5.050 40 30 EKEBRN Cc1cc(/C=N/c2ccc3ccccc3c2)c(C)n1C1CCCCC1 ZINC000408740442 257889142 /nfs/dbraw/zinc/88/91/42/257889142.db2.gz KRKBBHDTJYXWCU-LFVJCYFKSA-N 0 0 330.475 6.514 40 30 EKEBRN Cc1cc(/C=N\c2ccc(C)cc2C)c(C)n1-c1ccc(C)c(C)c1 ZINC000408740443 257889325 /nfs/dbraw/zinc/88/93/25/257889325.db2.gz KRUIEHFEYHMADJ-OYKKKHCWSA-N 0 0 330.475 6.078 40 30 EKEBRN Cc1cc(/C=N\c2ccc(Cl)cc2)c(C)n1-c1ccc(C)c(C)c1 ZINC000408740514 257889866 /nfs/dbraw/zinc/88/98/66/257889866.db2.gz LGLUYWAKRNKUEQ-QRVIBDJDSA-N 0 0 336.866 6.115 40 30 EKEBRN Cc1cc(/C=N/c2cccc3ccccc32)c(C)n1C1CCCCC1 ZINC000408740527 257889775 /nfs/dbraw/zinc/88/97/75/257889775.db2.gz LIASXKVKCUYEFV-LFVJCYFKSA-N 0 0 330.475 6.514 40 30 EKEBRN Cc1cc(/C=N/c2cc(C)ccc2C)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408740725 563871983 /nfs/dbraw/zinc/87/19/83/563871983.db2.gz LWMDRTHARSXQMK-BUVRLJJBSA-N 0 0 345.490 5.528 40 30 EKEBRN Cc1cc(/C=N\c2ccc(N(C)C)cc2)c(C)n1-c1ccc(C)c(C)c1 ZINC000408740836 563872003 /nfs/dbraw/zinc/87/20/03/563872003.db2.gz NAEOUMIIRRMEHQ-IWIPYMOSSA-N 0 0 345.490 5.528 40 30 EKEBRN Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2C)c(C)n1C1CCCCC1 ZINC000408741124 563872018 /nfs/dbraw/zinc/87/20/18/563872018.db2.gz NZUUNHIPUDOWNI-FYJGNVAPSA-N 0 0 339.439 5.577 40 30 EKEBRN Cc1cc(/C=N\c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(C)c(C)c1 ZINC000408741144 257889232 /nfs/dbraw/zinc/88/92/32/257889232.db2.gz ODJUPZUREHVHAO-XKZIYDEJSA-N 0 0 347.418 5.370 40 30 EKEBRN Cc1cc(/C=N/c2cc(C)cc(C)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408741153 563872007 /nfs/dbraw/zinc/87/20/07/563872007.db2.gz ODXDSCREDCUIKU-BUVRLJJBSA-N 0 0 345.490 5.528 40 30 EKEBRN Cc1cc(/C=N/c2cccc(C)c2C)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408741459 563639929 /nfs/dbraw/zinc/63/99/29/563639929.db2.gz PVXWYTSFLLYVNJ-BUVRLJJBSA-N 0 0 345.490 5.528 40 30 EKEBRN Cc1cc(/C=N/c2cccc([N+](=O)[O-])c2)c(C)n1C1CCCCC1 ZINC000408741618 563872168 /nfs/dbraw/zinc/87/21/68/563872168.db2.gz QZDCDAJIMJFFIS-DEDYPNTBSA-N 0 0 325.412 5.269 40 30 EKEBRN Cc1cc(/C=N/c2ccccc2C)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408741653 563872282 /nfs/dbraw/zinc/87/22/82/563872282.db2.gz RIQZTYDENIPGHG-HZHRSRAPSA-N 0 0 331.463 5.219 40 30 EKEBRN COC(=O)c1cccc(/N=C/c2cc(C)n(C3CCCCC3)c2C)c1 ZINC000408741818 563872222 /nfs/dbraw/zinc/87/22/22/563872222.db2.gz SCGCJHHCZHFPPY-HYARGMPZSA-N 0 0 338.451 5.147 40 30 EKEBRN Cc1cc(/C=N/c2ccc(C)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408741843 563872242 /nfs/dbraw/zinc/87/22/42/563872242.db2.gz SHZGKBQTXZFOBB-HZHRSRAPSA-N 0 0 331.463 5.219 40 30 EKEBRN Cc1cc(/C=N/c2ccc(C)c(C)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408742209 257889321 /nfs/dbraw/zinc/88/93/21/257889321.db2.gz VAQOSNHNPNQQTN-BUVRLJJBSA-N 0 0 345.490 5.528 40 30 EKEBRN COc1cccc(/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c1 ZINC000408742216 563872254 /nfs/dbraw/zinc/87/22/54/563872254.db2.gz VHPGSIDIWDCTRF-UCQKPKSFSA-N 0 0 332.447 5.470 40 30 EKEBRN Cc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1C1CCCCC1 ZINC000408742224 563872133 /nfs/dbraw/zinc/87/21/33/563872133.db2.gz VIVKRTLSMPXGGG-BUVRLJJBSA-N 0 0 331.463 5.909 40 30 EKEBRN COC(=O)c1ccc(/N=C/c2cc(C)n(C3CCCCC3)c2C)cc1 ZINC000408742245 257889282 /nfs/dbraw/zinc/88/92/82/257889282.db2.gz VNWNKFIZOCCCEW-HYARGMPZSA-N 0 0 338.451 5.147 40 30 EKEBRN Cc1cc(/C=N/c2cccc(C)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408742260 563872161 /nfs/dbraw/zinc/87/21/61/563872161.db2.gz VQVGLOFWVFLGNG-HZHRSRAPSA-N 0 0 331.463 5.219 40 30 EKEBRN Cc1cc(/C=N\c2cccc(C)c2C)c(C)n1-c1ccc(C)c(C)c1 ZINC000408742315 563872219 /nfs/dbraw/zinc/87/22/19/563872219.db2.gz WAGYFLHZKWDRJA-OYKKKHCWSA-N 0 0 330.475 6.078 40 30 EKEBRN Cc1cc(/C=N/c2cccc3cccnc32)c(C)n1C1CCCCC1 ZINC000408742328 563872113 /nfs/dbraw/zinc/87/21/13/563872113.db2.gz WCLMANLHAKEILS-BUVRLJJBSA-N 0 0 331.463 5.909 40 30 EKEBRN CC(=O)Nc1ccc(/N=C/c2cc(C)n(C3CCCCC3)c2C)cc1 ZINC000408742822 257889620 /nfs/dbraw/zinc/88/96/20/257889620.db2.gz YHFOBRVXLGFIDO-HYARGMPZSA-N 0 0 337.467 5.319 40 30 EKEBRN Cc1cc(/C=N\c2ccc(C(C)C)cc2)c(C)n1-c1ccc(C)c(C)c1 ZINC000408743035 563872137 /nfs/dbraw/zinc/87/21/37/563872137.db2.gz YTFBHMCYECGBQI-MYYYXRDXSA-N 0 0 344.502 6.585 40 30 EKEBRN Cc1cc(/C=N/c2ccc(F)cc2F)c(C)n1-c1cccc(Cl)c1 ZINC000408751780 257889508 /nfs/dbraw/zinc/88/95/08/257889508.db2.gz CFLHWXRVRAODKF-FOKLQQMPSA-N 0 0 344.792 5.776 40 30 EKEBRN Cc1cc(/C=N\c2cc(C)ccc2C)c(C)n1-c1cccc(Cl)c1 ZINC000408751925 257889431 /nfs/dbraw/zinc/88/94/31/257889431.db2.gz DTMXCVKWGXFDHQ-QRVIBDJDSA-N 0 0 336.866 6.115 40 30 EKEBRN Cc1cc(/C=N/c2ccc3ncccc3c2)c(C)n1-c1cccc(C)c1 ZINC000408752008 563874398 /nfs/dbraw/zinc/87/43/98/563874398.db2.gz FIXUJHBPTOMZRR-MFKUBSTISA-N 0 0 339.442 5.701 40 30 EKEBRN CCc1ccc(-n2c(C)cc(/C=N\c3ccc(C)cc3C)c2C)cc1 ZINC000408752288 563874486 /nfs/dbraw/zinc/87/44/86/563874486.db2.gz HKQNYCIYVLAKMR-IWIPYMOSSA-N 0 0 330.475 6.024 40 30 EKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3ccc(F)c(C)c3)c2C)cc1 ZINC000408752508 563874471 /nfs/dbraw/zinc/87/44/71/563874471.db2.gz BAWWFRJCAQFAHI-ZVHZXABRSA-N 0 0 334.438 5.855 40 30 EKEBRN Cc1cc(/C=N/c2ccc([N+](=O)[O-])cc2C)c(C)n1-c1cccc(C)c1 ZINC000408752524 563874493 /nfs/dbraw/zinc/87/44/93/563874493.db2.gz BFJUEUNYYVFWNF-LPYMAVHISA-N 0 0 347.418 5.370 40 30 EKEBRN CCCCc1ccc(/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1 ZINC000408753042 563875156 /nfs/dbraw/zinc/87/51/56/563875156.db2.gz HENYOPBAPMTMMA-KOEQRZSOSA-N 0 0 344.502 6.496 40 30 EKEBRN CCCc1sc(N=NCc2cccs2)nc1-c1ccc(C)cc1 ZINC000408753565 563875542 /nfs/dbraw/zinc/87/55/42/563875542.db2.gz AWEJXAHIBAQYKN-XDHOZWIPSA-N 0 0 341.505 5.579 40 30 EKEBRN Cc1cc(/C=N/c2ccc(F)c(C)c2)c(C)n1-c1cccc(Cl)c1 ZINC000408753788 563875485 /nfs/dbraw/zinc/87/54/85/563875485.db2.gz NVALLKDERQAJOA-FSJBWODESA-N 0 0 340.829 5.946 40 30 EKEBRN Cc1cc(/C=N\c2ccccc2Cl)c(C)n1-c1cccc(Cl)c1 ZINC000408753931 563875476 /nfs/dbraw/zinc/87/54/76/563875476.db2.gz LEFBNNOQTTZNEK-UUYOSTAYSA-N 0 0 343.257 6.152 40 30 EKEBRN Cc1cc(/C=N/c2cccc(Cl)c2C)c(C)n1-c1cccc(C)c1 ZINC000408754345 563875554 /nfs/dbraw/zinc/87/55/54/563875554.db2.gz MVCMTOBFCJIEKB-YDZHTSKRSA-N 0 0 336.866 6.115 40 30 EKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3ccccc3SC)c2C)cc1 ZINC000408754503 257889158 /nfs/dbraw/zinc/88/91/58/257889158.db2.gz NRRSKOIYGQLUOD-HZHRSRAPSA-N 0 0 348.515 6.129 40 30 EKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3cccc(Cl)c3)c2C)cc1 ZINC000408754656 563875650 /nfs/dbraw/zinc/87/56/50/563875650.db2.gz GPLPOIRSICKWBQ-OEAKJJBVSA-N 0 0 336.866 6.061 40 30 EKEBRN CCc1ccc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 ZINC000408754664 257889493 /nfs/dbraw/zinc/88/94/93/257889493.db2.gz LBEBSEILIOLIAB-OEAKJJBVSA-N 0 0 336.866 6.061 40 30 EKEBRN CCCc1sc(N=NCc2ccco2)nc1-c1ccc(C)cc1 ZINC000408754693 563875654 /nfs/dbraw/zinc/87/56/54/563875654.db2.gz GVFTUDHROMVGGL-XDHOZWIPSA-N 0 0 325.437 5.110 40 30 EKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3ccccc3C(C)C)c2C)cc1 ZINC000408755194 563875656 /nfs/dbraw/zinc/87/56/56/563875656.db2.gz QCPHTONTNAORAO-PCLIKHOPSA-N 0 0 344.502 6.531 40 30 EKEBRN CCc1ccc(-n2c(C)cc(/C=N\OCc3ccccc3)c2C)cc1 ZINC000408755530 563875632 /nfs/dbraw/zinc/87/56/32/563875632.db2.gz OFNINBQWXFUKAX-HAHDFKILSA-N 0 0 332.447 5.207 40 30 EKEBRN CCCc1sc(N=NCc2ccc(C)o2)nc1-c1ccc(C)cc1 ZINC000408755699 257889327 /nfs/dbraw/zinc/88/93/27/257889327.db2.gz MFCBFHGVYFYUKS-UDWIEESQSA-N 0 0 339.464 5.418 40 30 EKEBRN CC(=O)Nc1ccc(/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1 ZINC000408756300 563876084 /nfs/dbraw/zinc/87/60/84/563876084.db2.gz YQARJZRWGUVSQM-OEAKJJBVSA-N 0 0 345.446 5.112 40 30 EKEBRN CCc1ccc(-n2c(C)cc(/C=N\c3cccc([N+](=O)[O-])c3)c2C)cc1 ZINC000408756471 563876086 /nfs/dbraw/zinc/87/60/86/563876086.db2.gz VKMPSVNOHYMWDS-HMAPJEAMSA-N 0 0 347.418 5.315 40 30 EKEBRN CC(=O)c1ccc(N=Cc2cc(C)n(-c3cccc(C)c3)c2C)cc1 ZINC000408756487 563876062 /nfs/dbraw/zinc/87/60/62/563876062.db2.gz VPHLLAJFDSQCIN-OEAKJJBVSA-N 0 0 330.431 5.356 40 30 EKEBRN Cc1cc(/C=N/c2ccc(C#N)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000408756524 257889139 /nfs/dbraw/zinc/88/91/39/257889139.db2.gz ZPMAPTCONVIPET-YDZHTSKRSA-N 0 0 333.822 5.370 40 30 EKEBRN Cc1cc(/C=N/c2ccc(F)c(Cl)c2)c(C)n1-c1cccc(C)c1 ZINC000408757021 563876076 /nfs/dbraw/zinc/87/60/76/563876076.db2.gz VTCYCLVFIDXAAC-FSJBWODESA-N 0 0 340.829 5.946 40 30 EKEBRN Cc1cc(/C=N\c2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(C)c1 ZINC000408757151 257889402 /nfs/dbraw/zinc/88/94/02/257889402.db2.gz XORWMHVOMRNEGC-BKUYFWCQSA-N 0 0 333.391 5.061 40 30 EKEBRN Cc1cc(/C=N/c2cccc(F)c2)c(C)n1-c1cccc(Cl)c1 ZINC000408757778 563876207 /nfs/dbraw/zinc/87/62/07/563876207.db2.gz BXWVIPUUNUKBMD-WSDLNYQXSA-N 0 0 326.802 5.637 40 30 EKEBRN Cc1cc(/C=N\c2ccccc2F)c(C)n1-c1cccc(Cl)c1 ZINC000408757954 563876338 /nfs/dbraw/zinc/87/63/38/563876338.db2.gz DZWPKDYRROWBNM-UUYOSTAYSA-N 0 0 326.802 5.637 40 30 EKEBRN CCOc1ccccc1/N=C\c1cc(C)n(-c2ccc(CC)cc2)c1C ZINC000408758057 563876304 /nfs/dbraw/zinc/87/63/04/563876304.db2.gz GFGVQFMYKIEAOJ-JLPGSUDCSA-N 0 0 346.474 5.806 40 30 EKEBRN Cc1cc(/C=N\c2ccc(C)cc2C)c(C)n1-c1cccc(Cl)c1 ZINC000408758164 563876561 /nfs/dbraw/zinc/87/65/61/563876561.db2.gz HBQAOCYNZJHHPC-QRVIBDJDSA-N 0 0 336.866 6.115 40 30 EKEBRN Cc1cc(/C=N\c2ccc(C)c([N+](=O)[O-])c2)c(C)n1-c1cccc(C)c1 ZINC000408758271 563876575 /nfs/dbraw/zinc/87/65/75/563876575.db2.gz HYQBQMQBXDTAPW-XKZIYDEJSA-N 0 0 347.418 5.370 40 30 EKEBRN Cc1cc(/C=N/c2ccc(C)c(Cl)c2)c(C)n1-c1cccc(C)c1 ZINC000408758750 257888681 /nfs/dbraw/zinc/88/86/81/257888681.db2.gz QIVVQZRDZARZBP-YDZHTSKRSA-N 0 0 336.866 6.115 40 30 EKEBRN Cc1cc(/C=N\c2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000408759186 563996104 /nfs/dbraw/zinc/99/61/04/563996104.db2.gz ZIGXHWJYIFUMOY-UUYOSTAYSA-N 0 0 343.257 6.152 40 30 EKEBRN Cc1cc(/C=N/c2ccccc2C(C)C)c(C)n1-c1cccc(C)c1 ZINC000408759188 563996177 /nfs/dbraw/zinc/99/61/77/563996177.db2.gz ZJTCRENHANDHSO-BUVRLJJBSA-N 0 0 330.475 6.277 40 30 EKEBRN CCc1ccc(-n2c(C)cc(/C=N\c3cc(C)ccc3C)c2C)cc1 ZINC000408759710 563877307 /nfs/dbraw/zinc/87/73/07/563877307.db2.gz KDXCNCNECWSGDR-IWIPYMOSSA-N 0 0 330.475 6.024 40 30 EKEBRN CSc1ccccc1/N=C/c1cc(C)n(-c2cccc(C)c2)c1C ZINC000408759798 257888916 /nfs/dbraw/zinc/88/89/16/257888916.db2.gz LVASUGJVRZJXRA-HYARGMPZSA-N 0 0 334.488 5.875 40 30 EKEBRN CCc1ccccc1/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000408759824 563996561 /nfs/dbraw/zinc/99/65/61/563996561.db2.gz MIXGSUGPNFVHSV-OEAKJJBVSA-N 0 0 336.866 6.061 40 30 EKEBRN COc1ccc(C/N=C\c2cc(C)n(-c3cccc(C)c3)c2C)cc1 ZINC000408760087 563996558 /nfs/dbraw/zinc/99/65/58/563996558.db2.gz RJODSJYZOQOVSH-HAHDFKILSA-N 0 0 332.447 5.030 40 30 EKEBRN Cc1cc(/C=N/c2ccc(C(C)C)cc2)c(C)n1-c1cccc(C)c1 ZINC000408760144 563996579 /nfs/dbraw/zinc/99/65/79/563996579.db2.gz SHKPICGYXRZSSL-BUVRLJJBSA-N 0 0 330.475 6.277 40 30 EKEBRN CCc1ccc(-n2c(C)cc(C=Nc3ccc(C(C)=O)cc3)c2C)cc1 ZINC000408760274 563877579 /nfs/dbraw/zinc/87/75/79/563877579.db2.gz VVILCFIMGPZEMR-BUVRLJJBSA-N 0 0 344.458 5.610 40 30 EKEBRN COc1cccc(/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c1 ZINC000408760282 563996548 /nfs/dbraw/zinc/99/65/48/563996548.db2.gz WBLVOQBIHQKIJR-LPYMAVHISA-N 0 0 338.838 5.507 40 30 EKEBRN CCOc1cccc(/N=C\c2cc(C)n(-c3cccc(C)c3)c2C)c1 ZINC000408760686 563996699 /nfs/dbraw/zinc/99/66/99/563996699.db2.gz DBZBANVKLHWSAE-HAHDFKILSA-N 0 0 332.447 5.552 40 30 EKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3ccc(C#N)cc3)c2C)cc1 ZINC000408760988 563996946 /nfs/dbraw/zinc/99/69/46/563996946.db2.gz BRWZLZZPVVVWEO-BUVRLJJBSA-N 0 0 327.431 5.279 40 30 EKEBRN Cc1cc(/C=N/c2ccc(C)cc2[N+](=O)[O-])c(C)n1-c1cccc(C)c1 ZINC000408761007 563996916 /nfs/dbraw/zinc/99/69/16/563996916.db2.gz BVEFQCBVWVMTTE-LPYMAVHISA-N 0 0 347.418 5.370 40 30 EKEBRN CCc1ccc(-n2c(C)cc(/C=N\c3ccc(OC)cc3)c2C)cc1 ZINC000408761308 257888970 /nfs/dbraw/zinc/88/89/70/257888970.db2.gz IGDKOONHDVMEFM-HAHDFKILSA-N 0 0 332.447 5.416 40 30 EKEBRN Cc1cc(/C=N\OCc2ccccc2)c(C)n1-c1cccc(Cl)c1 ZINC000408761646 563997444 /nfs/dbraw/zinc/99/74/44/563997444.db2.gz AHXIMRCWDRPVAW-XKZIYDEJSA-N 0 0 338.838 5.298 40 30 EKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3ccc(C(C)C)cc3)c2C)cc1 ZINC000408761776 563997443 /nfs/dbraw/zinc/99/74/43/563997443.db2.gz BKZDRKSTINBPJN-PCLIKHOPSA-N 0 0 344.502 6.531 40 30 EKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3ccc(F)cc3F)c2C)cc1 ZINC000408762004 563877326 /nfs/dbraw/zinc/87/73/26/563877326.db2.gz JAHAXZVZXXRYAN-ZMOGYAJESA-N 0 0 338.401 5.685 40 30 EKEBRN CCOc1ccccc1/N=C\c1cc(C)n(-c2cccc(C)c2)c1C ZINC000408762098 257888914 /nfs/dbraw/zinc/88/89/14/257888914.db2.gz CPJKYXVPEBSRDO-HAHDFKILSA-N 0 0 332.447 5.552 40 30 EKEBRN Cc1cc(/C=N\c2cccc([N+](=O)[O-])c2)c(C)n1-c1cccc(C)c1 ZINC000408762297 563877296 /nfs/dbraw/zinc/87/72/96/563877296.db2.gz JYLCDQVAVVKOGN-BKUYFWCQSA-N 0 0 333.391 5.061 40 30 EKEBRN CCc1ccc(-n2c(C)cc(/C=N\Cc3ccc(OC)cc3)c2C)cc1 ZINC000408762324 563877364 /nfs/dbraw/zinc/87/73/64/563877364.db2.gz DQHRFGDLWJBFSU-JLPGSUDCSA-N 0 0 346.474 5.284 40 30 EKEBRN COc1ccccc1/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000408762363 257888951 /nfs/dbraw/zinc/88/89/51/257888951.db2.gz OGWQMTLCBILVEO-LPYMAVHISA-N 0 0 338.838 5.507 40 30 EKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3cccc(OC)c3)c2C)cc1 ZINC000408762485 563877292 /nfs/dbraw/zinc/87/72/92/563877292.db2.gz LBKMUZJYZRACOM-HZHRSRAPSA-N 0 0 332.447 5.416 40 30 EKEBRN Cc1cc(/C=N/c2cc(Cl)ccc2C)c(C)n1-c1cccc(C)c1 ZINC000408762498 563877273 /nfs/dbraw/zinc/87/72/73/563877273.db2.gz LCTVKWMJKUBYOD-YDZHTSKRSA-N 0 0 336.866 6.115 40 30 EKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3ccccc3CC)c2C)cc1 ZINC000408762714 563877336 /nfs/dbraw/zinc/87/73/36/563877336.db2.gz QKQVBWFLQQNFLA-LFVJCYFKSA-N 0 0 330.475 5.970 40 30 EKEBRN CCc1ccc(-n2c(C)cc(/C=N\c3ccc4c(c3)OCO4)c2C)cc1 ZINC000408762765 563877381 /nfs/dbraw/zinc/87/73/81/563877381.db2.gz GESONRXMVYWYRG-QRVIBDJDSA-N 0 0 346.430 5.136 40 30 EKEBRN Cc1cc(/C=N/c2ccc(C)c(C)c2)c(C)n1-c1cccc(Cl)c1 ZINC000408763102 563878135 /nfs/dbraw/zinc/87/81/35/563878135.db2.gz RGUJARMBDYQLSH-YDZHTSKRSA-N 0 0 336.866 6.115 40 30 EKEBRN CCOc1cccc(/N=C\c2cc(C)n(-c3ccc(CC)cc3)c2C)c1 ZINC000408763266 563878570 /nfs/dbraw/zinc/87/85/70/563878570.db2.gz OTOPLGYAKBWLEH-JLPGSUDCSA-N 0 0 346.474 5.806 40 30 EKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3ccccc3OC)c2C)cc1 ZINC000408764038 257888783 /nfs/dbraw/zinc/88/87/83/257888783.db2.gz VROYFTCPOVSZTA-HZHRSRAPSA-N 0 0 332.447 5.416 40 30 EKEBRN CCc1ccc(-n2c(C)cc(C=Nc3cccc(C(C)=O)c3)c2C)cc1 ZINC000408764393 563878203 /nfs/dbraw/zinc/87/82/03/563878203.db2.gz ROWOGLKFHPWBFW-BUVRLJJBSA-N 0 0 344.458 5.610 40 30 EKEBRN Cc1cc(/C=N\c2ccc(N(C)C)cc2)c(C)n1-c1cccc(C)c1 ZINC000408765031 563878575 /nfs/dbraw/zinc/87/85/75/563878575.db2.gz YTOBGPFRFIAQBH-HAHDFKILSA-N 0 0 331.463 5.219 40 30 EKEBRN CC[C@H](C)c1ccc(/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1 ZINC000408765090 563878545 /nfs/dbraw/zinc/87/85/45/563878545.db2.gz KEGQRKFFLOPXMB-LEBHPONQSA-N 0 0 344.502 6.667 40 30 EKEBRN CC[C@@H](C)c1ccc(/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1 ZINC000408765094 257889056 /nfs/dbraw/zinc/88/90/56/257889056.db2.gz KEGQRKFFLOPXMB-OAKZWBAKSA-N 0 0 344.502 6.667 40 30 EKEBRN CCc1ccc(/N=C/c2cc(C)n(-c3ccc(CC)cc3)c2C)cc1 ZINC000408765181 563878900 /nfs/dbraw/zinc/87/89/00/563878900.db2.gz ZWEGYHANSLEMLT-LFVJCYFKSA-N 0 0 330.475 5.970 40 30 EKEBRN CC(=O)c1cccc(N=Cc2cc(C)n(-c3cccc(C)c3)c2C)c1 ZINC000408765604 563879398 /nfs/dbraw/zinc/87/93/98/563879398.db2.gz WOHBDNQVQRNBCT-OEAKJJBVSA-N 0 0 330.431 5.356 40 30 EKEBRN CCc1ccc(-n2c(C)cc(/C=N\c3ccccc3Cl)c2C)cc1 ZINC000408765610 563879458 /nfs/dbraw/zinc/87/94/58/563879458.db2.gz WRLYXTKHRYCAQB-UCQKPKSFSA-N 0 0 336.866 6.061 40 30 EKEBRN Cc1cc(/C=N\c2ccc3ccccc3c2)c(C)n1-c1cccc(C)c1 ZINC000408766669 563879689 /nfs/dbraw/zinc/87/96/89/563879689.db2.gz WKYBXRJIEYIRJK-XYGWBWBKSA-N 0 0 338.454 6.306 40 30 EKEBRN CCc1ccccc1/N=C/c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C ZINC000408766733 563879722 /nfs/dbraw/zinc/87/97/22/563879722.db2.gz FRLOFACGTLJQHV-HYARGMPZSA-N 0 0 347.418 5.315 40 30 EKEBRN Cc1cc(/C=N\c2ccc(C(C)(C)C)cc2)c(C)n1-c1cccc(C)c1 ZINC000408766869 563879733 /nfs/dbraw/zinc/87/97/33/563879733.db2.gz TXPUGEBFLHBJJT-XYGWBWBKSA-N 0 0 344.502 6.451 40 30 EKEBRN CCc1ccc(-n2c(C)cc(/C=N\c3ccc(N(C)C)cc3)c2C)cc1 ZINC000408766917 563879680 /nfs/dbraw/zinc/87/96/80/563879680.db2.gz WXAJQAACGIUMAX-JLPGSUDCSA-N 0 0 345.490 5.473 40 30 EKEBRN CCc1ccc(-n2c(C)cc(/C=N\c3ccc([N+](=O)[O-])cc3)c2C)cc1 ZINC000408767059 563879687 /nfs/dbraw/zinc/87/96/87/563879687.db2.gz VGDOVFYMFRNAFG-HMAPJEAMSA-N 0 0 347.418 5.315 40 30 EKEBRN CCc1ccc(-n2c(C)cc(/C=N\c3ccc(Cl)cc3)c2C)cc1 ZINC000408767351 257888754 /nfs/dbraw/zinc/88/87/54/257888754.db2.gz ZPJHORGHRNUWHN-UCQKPKSFSA-N 0 0 336.866 6.061 40 30 EKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3ccc(C)c(C)c3)c2C)cc1 ZINC000408767552 563879758 /nfs/dbraw/zinc/87/97/58/563879758.db2.gz YKXXZKJXGJQZFH-BUVRLJJBSA-N 0 0 330.475 6.024 40 30 EKEBRN CC(=O)c1ccc(N=Cc2cc(C)n(-c3ccc(F)cc3)c2C)cc1 ZINC000408767587 564006377 /nfs/dbraw/zinc/00/63/77/564006377.db2.gz MVJZILJVIAAQEY-YDZHTSKRSA-N 0 0 334.394 5.186 40 30 EKEBRN COc1ccc2[nH]c(-c3ccccc3)c(/C=N/c3ccccc3F)c2c1 ZINC000408771329 564007130 /nfs/dbraw/zinc/00/71/30/564007130.db2.gz FNUKDJPNPDSRRH-ZVHZXABRSA-N 0 0 344.389 5.733 40 30 EKEBRN Cc1cc(/C=N/c2ccccc2C(C)C)c(C)n1-c1ccc(F)cc1 ZINC000408771936 563881269 /nfs/dbraw/zinc/88/12/69/563881269.db2.gz JEHPBVBBZZPBMQ-ZVHZXABRSA-N 0 0 334.438 6.107 40 30 EKEBRN Cc1cc(/C=N/c2ccc(F)cc2F)c(C)n1-c1ccc(F)cc1 ZINC000408772202 563880927 /nfs/dbraw/zinc/88/09/27/563880927.db2.gz CNBUZQBRSQDYIT-FOKLQQMPSA-N 0 0 328.337 5.262 40 30 EKEBRN Cc1cc(/C=N/c2ccc(F)cc2F)c(C)n1-c1ccc(Cl)cc1 ZINC000408772943 563881937 /nfs/dbraw/zinc/88/19/37/563881937.db2.gz ODIWTONQILKZJQ-FOKLQQMPSA-N 0 0 344.792 5.776 40 30 EKEBRN Cc1cc(/C=N/c2cccc(Cl)c2C)c(C)n1-c1ccc(F)cc1 ZINC000408774065 564007186 /nfs/dbraw/zinc/00/71/86/564007186.db2.gz VNEDUTZYXNGNNM-FSJBWODESA-N 0 0 340.829 5.946 40 30 EKEBRN CCCCc1ccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 ZINC000408774277 564007203 /nfs/dbraw/zinc/00/72/03/564007203.db2.gz BWOKCPRFBLUTHX-PCLIKHOPSA-N 0 0 348.465 6.326 40 30 EKEBRN Cc1cc(/C=N\c2ccc(Cl)cc2Cl)c(C)n1-c1ccccc1 ZINC000408774344 563881619 /nfs/dbraw/zinc/88/16/19/563881619.db2.gz CDGDMVVKGFPQLM-UUYOSTAYSA-N 0 0 343.257 6.152 40 30 EKEBRN CC[C@H](C)c1ccc(/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000408775086 563881946 /nfs/dbraw/zinc/88/19/46/563881946.db2.gz YVBDKTCAVWODJW-FLVDCRJSSA-N 0 0 330.475 6.358 40 30 EKEBRN CC[C@@H](C)c1ccc(/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000408775087 564007193 /nfs/dbraw/zinc/00/71/93/564007193.db2.gz YVBDKTCAVWODJW-MXJLDLDKSA-N 0 0 330.475 6.358 40 30 EKEBRN Cc1cc(/C=N\c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1 ZINC000408775182 563881901 /nfs/dbraw/zinc/88/19/01/563881901.db2.gz FNRPWCOWFYDHFQ-UUYOSTAYSA-N 0 0 343.257 6.152 40 30 EKEBRN Cc1cc(/C=N/c2cc(Cl)ccc2C)c(C)n1-c1ccc(F)cc1 ZINC000408775394 563881878 /nfs/dbraw/zinc/88/18/78/563881878.db2.gz GZPFYHUMOKNMDK-FSJBWODESA-N 0 0 340.829 5.946 40 30 EKEBRN Cc1cc(C=NNc2ccc3ccccc3n2)c(C)n1-c1ccccc1 ZINC000408775795 564007188 /nfs/dbraw/zinc/00/71/88/564007188.db2.gz SBUQRLDAFSDMKT-HZHRSRAPSA-N 0 0 340.430 5.088 40 30 EKEBRN Cc1cc(/C=N/c2cccc(F)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000408775815 257888904 /nfs/dbraw/zinc/88/89/04/257888904.db2.gz UZKIAPHIAWBSLV-WSDLNYQXSA-N 0 0 326.802 5.637 40 30 EKEBRN Cc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)n1C ZINC000408776171 564007165 /nfs/dbraw/zinc/00/71/65/564007165.db2.gz UTMBUFVZKDXFDR-MFKUBSTISA-N 0 0 346.518 5.860 40 30 EKEBRN COc1ccc2[nH]c(-c3ccccc3)c(/C=N\c3ccccc3)c2c1 ZINC000408776310 564007162 /nfs/dbraw/zinc/00/71/62/564007162.db2.gz YLXOZDQHJACZSK-HAHDFKILSA-N 0 0 326.399 5.594 40 30 EKEBRN CC[C@@H](C)c1ccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 ZINC000408776537 564007174 /nfs/dbraw/zinc/00/71/74/564007174.db2.gz PBFRUJQIAYRLNB-FYHAJLKWSA-N 0 0 348.465 6.497 40 30 EKEBRN CC[C@H](C)c1ccc(/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 ZINC000408776538 563882375 /nfs/dbraw/zinc/88/23/75/563882375.db2.gz PBFRUJQIAYRLNB-JZCUADNKSA-N 0 0 348.465 6.497 40 30 EKEBRN Cc1cc(/C=N/c2ccc(F)c(Cl)c2)c(C)n1-c1ccc(F)cc1 ZINC000408776563 563882378 /nfs/dbraw/zinc/88/23/78/563882378.db2.gz VYMSJWQMNOVFKO-FOKLQQMPSA-N 0 0 344.792 5.776 40 30 EKEBRN COc1ccc(Oc2ccc(/N=C/c3cc(C)n(C)c3C)cc2)cc1 ZINC000408776699 563882185 /nfs/dbraw/zinc/88/21/85/563882185.db2.gz PTPRCBADIMMTFU-HYARGMPZSA-N 0 0 334.419 5.193 40 30 EKEBRN Cc1cc(/C=N/c2ccc(C#N)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000408777399 257888657 /nfs/dbraw/zinc/88/86/57/257888657.db2.gz ZUFCXJSTFONANV-YDZHTSKRSA-N 0 0 333.822 5.370 40 30 EKEBRN COc1ccc(Cl)cc1/N=C/c1cc(C)n(-c2ccccc2)c1C ZINC000408778106 257888235 /nfs/dbraw/zinc/88/82/35/257888235.db2.gz AZIUITAJBFMQPL-LPYMAVHISA-N 0 0 338.838 5.507 40 30 EKEBRN Cc1cc(/C=N\c2ccc(Cl)cc2O)c(C)n1-c1ccc(F)cc1 ZINC000408778984 564007231 /nfs/dbraw/zinc/00/72/31/564007231.db2.gz OFWGPVBAWMUOCN-JJFYIABZSA-N 0 0 342.801 5.343 40 30 EKEBRN COc1ccc2[nH]c(-c3ccccc3)c(/C=N/c3ccccc3C)c2c1 ZINC000408779171 564007230 /nfs/dbraw/zinc/00/72/30/564007230.db2.gz BHJGYLYQMZIFJH-BUVRLJJBSA-N 0 0 340.426 5.903 40 30 EKEBRN COc1ccc2[nH]c(-c3ccccc3)c(/C=N/c3cccc(C)c3)c2c1 ZINC000408781438 257888368 /nfs/dbraw/zinc/88/83/68/257888368.db2.gz SJHKOPAHYGGIIE-BUVRLJJBSA-N 0 0 340.426 5.903 40 30 EKEBRN COc1ccc2[nH]c(-c3ccccc3)c(/C=N/c3ccccc3O)c2c1 ZINC000408782353 564007236 /nfs/dbraw/zinc/00/72/36/564007236.db2.gz HUQQOVZMAKKQHD-OEAKJJBVSA-N 0 0 342.398 5.300 40 30 EKEBRN COc1ccc2[nH]c(-c3ccccc3)c(/C=N\c3ccc(O)cc3)c2c1 ZINC000408782783 563883663 /nfs/dbraw/zinc/88/36/63/563883663.db2.gz YZWYEUINGHIPLP-UCQKPKSFSA-N 0 0 342.398 5.300 40 30 EKEBRN Cc1cc(/C=N/c2ccco2)c(C)n1-c1ccc(Br)cc1 ZINC000408782996 564007255 /nfs/dbraw/zinc/00/72/55/564007255.db2.gz ZXWADOQRILDSFF-YBFXNURJSA-N 0 0 343.224 5.200 40 30 EKEBRN CCc1ccccc1/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000408783364 257888323 /nfs/dbraw/zinc/88/83/23/257888323.db2.gz KPZYHKBEAYIDKA-OEAKJJBVSA-N 0 0 336.866 6.061 40 30 EKEBRN CSc1ccccc1/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000408783749 564007282 /nfs/dbraw/zinc/00/72/82/564007282.db2.gz QMTWFQNYDTVVHT-LPYMAVHISA-N 0 0 338.451 5.706 40 30 EKEBRN Cc1cc(/C=N\c2ccccc2Cl)c(C)n1-c1ccc(F)cc1 ZINC000408784897 257888518 /nfs/dbraw/zinc/88/85/18/257888518.db2.gz UVWLFZMOLWPIQV-UUYOSTAYSA-N 0 0 326.802 5.637 40 30 EKEBRN Cc1cc(/C=N/c2ccc(C)cc2[N+](=O)[O-])c(C)n1-c1ccccc1 ZINC000408786315 564007287 /nfs/dbraw/zinc/00/72/87/564007287.db2.gz PGICDKZNEPRSCP-FYJGNVAPSA-N 0 0 333.391 5.061 40 30 EKEBRN Cc1cc(/C=N\c2cc(C)c(C)c([N+](=O)[O-])c2)c(C)n1-c1ccccc1 ZINC000408786575 563884311 /nfs/dbraw/zinc/88/43/11/563884311.db2.gz SMEHBSGBKBESKD-XKZIYDEJSA-N 0 0 347.418 5.370 40 30 EKEBRN Cc1cc(/C=N/c2ccc(C)c(Cl)c2)c(C)n1-c1ccc(F)cc1 ZINC000408786760 563884402 /nfs/dbraw/zinc/88/44/02/563884402.db2.gz NFMHJOLDNFZIPZ-FSJBWODESA-N 0 0 340.829 5.946 40 30 EKEBRN Cc1cc(/C=N\c2ccc3ccccc3c2)c(C)n1-c1ccc(F)cc1 ZINC000408787195 564007293 /nfs/dbraw/zinc/00/72/93/564007293.db2.gz UJGITRNBWTZOJA-MYYYXRDXSA-N 0 0 342.417 6.137 40 30 EKEBRN Cc1cc(/C=N\c2ccccc2Cl)c(C)n1-c1ccc(Cl)cc1 ZINC000408787378 563884101 /nfs/dbraw/zinc/88/41/01/563884101.db2.gz ZBKRPYRAHVKTIV-UUYOSTAYSA-N 0 0 343.257 6.152 40 30 EKEBRN Cc1cc(/C=N/c2ccc(F)c(Cl)c2)c(C)n1-c1ccccc1 ZINC000408788434 564007286 /nfs/dbraw/zinc/00/72/86/564007286.db2.gz FMUMIRJFKCJXJQ-WSDLNYQXSA-N 0 0 326.802 5.637 40 30 EKEBRN CCCCc1ccc(/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1 ZINC000408789161 564007270 /nfs/dbraw/zinc/00/72/70/564007270.db2.gz KDGZEXXSNAHVBU-JJIBRWJFSA-N 0 0 330.475 6.187 40 30 EKEBRN C=CCn1c(C)c(/C=N/c2sc(C)c(C)c2C#N)c2ccccc21 ZINC000408806392 564007296 /nfs/dbraw/zinc/00/72/96/564007296.db2.gz APRSSDBUHOOPIE-WSDLNYQXSA-N 0 0 333.460 5.436 40 30 EKEBRN Cc1ccc(/N=C\c2cccn2-c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000408810318 564007347 /nfs/dbraw/zinc/00/73/47/564007347.db2.gz IQSLAZDYXISUCX-NDENLUEZSA-N 0 0 339.782 5.098 40 30 EKEBRN Cn1cc(/C=N/N(c2ccccc2)c2ccccc2)c2ccccc21 ZINC000408811883 563887094 /nfs/dbraw/zinc/88/70/94/563887094.db2.gz ATKHOSPEBUSMIS-XQNSMLJCSA-N 0 0 325.415 5.351 40 30 EKEBRN Cc1c(/C=N/c2sc3c(c2C#N)CCCC3)c2ccccc2n1C ZINC000408812019 563887708 /nfs/dbraw/zinc/88/77/08/563887708.db2.gz MMTNPHHAUPIJSM-WSDLNYQXSA-N 0 0 333.460 5.049 40 30 EKEBRN CCOc1ccc(Cl)cc1/C=N/c1sc2c(c1C#N)CCCC2 ZINC000408812114 563887972 /nfs/dbraw/zinc/88/79/72/563887972.db2.gz NSNPVLKMGXMMHN-SRZZPIQSSA-N 0 0 344.867 5.301 40 30 EKEBRN Cc1ccc(/N=C\c2cccn2-c2ccc(Cl)cc2)cc1Cl ZINC000408812247 564007380 /nfs/dbraw/zinc/00/73/80/564007380.db2.gz MHSFJXFYXDMLBU-MTJSOVHGSA-N 0 0 329.230 5.843 40 30 EKEBRN Cc1c(/C=N\c2ccc(Nc3ccccc3)cc2)c2ccccc2n1C ZINC000408813062 257887827 /nfs/dbraw/zinc/88/78/27/257887827.db2.gz DACPFRHIEGYCQM-JLPGSUDCSA-N 0 0 339.442 5.981 40 30 EKEBRN C=CCn1c(C)c(/C=C2\Sc3ccccc3C2=O)c2ccccc21 ZINC000408813357 563887686 /nfs/dbraw/zinc/88/76/86/563887686.db2.gz PIGKTHCMDQYRDQ-MOSHPQCFSA-N 0 0 331.440 5.465 40 30 EKEBRN C#CCOc1ccc2ccccc2c1/C=C1\Sc2ccccc2C1=O ZINC000408815984 257887830 /nfs/dbraw/zinc/88/78/30/257887830.db2.gz KBGHEQHMBJITQY-STZFKDTASA-N 0 0 342.419 5.181 40 30 EKEBRN C=CCc1cc(/C=N\c2ccc(C(C)(C)C)cc2)cc(OCC)c1O ZINC000408818133 563889675 /nfs/dbraw/zinc/88/96/75/563889675.db2.gz ZJYOFBZDAZLMPK-HAHDFKILSA-N 0 0 337.463 5.568 40 30 EKEBRN N#Cc1c(/N=C/c2ccncc2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000408818643 564007400 /nfs/dbraw/zinc/00/74/00/564007400.db2.gz PXXZTBCKTPMWJD-WGOQTCKBSA-N 0 0 349.393 5.631 40 30 EKEBRN Fc1ccc(Cn2cc(C=NNc3ccccc3)c3ccccc32)cc1 ZINC000408820108 564007422 /nfs/dbraw/zinc/00/74/22/564007422.db2.gz TZXOPZYMYWYKRE-ZVHZXABRSA-N 0 0 343.405 5.275 40 30 EKEBRN C#CCOc1ccc2ccccc2c1/C=N/c1sc(C)c(C)c1C#N ZINC000408820425 564007433 /nfs/dbraw/zinc/00/74/33/564007433.db2.gz WBGULUFHFWKFGF-YDZHTSKRSA-N 0 0 344.439 5.152 40 30 EKEBRN COc1cccc2c(/C=N/c3cccc(C)c3)c(-c3ccccc3)[nH]c21 ZINC000408829887 564007488 /nfs/dbraw/zinc/00/74/88/564007488.db2.gz QZOJXRBUWDBPSF-BUVRLJJBSA-N 0 0 340.426 5.903 40 30 EKEBRN COc1cccc2c(/C=N\c3ccc(O)cc3)c(-c3ccccc3)[nH]c21 ZINC000408830691 257888155 /nfs/dbraw/zinc/88/81/55/257888155.db2.gz OCQPZUPJYUUJKD-UCQKPKSFSA-N 0 0 342.398 5.300 40 30 EKEBRN COc1cccc2c(/C=N\c3ccccc3)c(-c3ccccc3)[nH]c21 ZINC000408833879 564007481 /nfs/dbraw/zinc/00/74/81/564007481.db2.gz WHKHFVHNOMESCG-HAHDFKILSA-N 0 0 326.399 5.594 40 30 EKEBRN COc1cccc2c(/C=N/c3ccccc3C)c(-c3ccccc3)[nH]c21 ZINC000408838572 257888015 /nfs/dbraw/zinc/88/80/15/257888015.db2.gz GEZWCAHIKYOLRV-BUVRLJJBSA-N 0 0 340.426 5.903 40 30 EKEBRN Cc1cccc(/N=C\c2cccn2-c2ccc(Br)cc2)c1 ZINC000408842672 564007497 /nfs/dbraw/zinc/00/74/97/564007497.db2.gz BUGZQRSWGVYQNZ-MOSHPQCFSA-N 0 0 339.236 5.299 40 30 EKEBRN Cc1ccc(C)n1-c1ccc(/N=C\c2ccc(N3CCCC3)o2)cc1 ZINC000408843525 257887493 /nfs/dbraw/zinc/88/74/93/257887493.db2.gz FSHCXBKWFUQJGE-JCMHNJIXSA-N 0 0 333.435 5.038 40 30 EKEBRN COc1cccc2c(/C=N/c3ccccc3F)c(-c3ccccc3)[nH]c21 ZINC000408843903 564007489 /nfs/dbraw/zinc/00/74/89/564007489.db2.gz OAVONPZOKYWZNO-ZVHZXABRSA-N 0 0 344.389 5.733 40 30 EKEBRN COc1cccc2c(/C=N/c3ccccc3O)c(-c3ccccc3)[nH]c21 ZINC000408843980 563896276 /nfs/dbraw/zinc/89/62/76/563896276.db2.gz SYDFJXBITUHXQR-OEAKJJBVSA-N 0 0 342.398 5.300 40 30 EKEBRN Cc1ccc(/N=C/c2ccc(N3CCCC3)cc2)c(Br)c1 ZINC000408844566 257887555 /nfs/dbraw/zinc/88/75/55/257887555.db2.gz DREMDXGERXCPKV-DEDYPNTBSA-N 0 0 343.268 5.108 40 30 EKEBRN COc1ccc(Cl)cc1/N=C\c1ccc(N2CCCC2)c(C)c1 ZINC000408844849 257887565 /nfs/dbraw/zinc/88/75/65/257887565.db2.gz FKCNHOVEBUZAGA-BKUYFWCQSA-N 0 0 328.843 5.008 40 30 EKEBRN CC(C)c1cc(C=NNc2ccc3ccccc3n2)cc(C(C)C)c1O ZINC000408845440 563896613 /nfs/dbraw/zinc/89/66/13/563896613.db2.gz GXHKUVFEIMBEPK-YDZHTSKRSA-N 0 0 347.462 5.633 40 30 EKEBRN C(=N\c1ccc(C2CCCCC2)cc1)\c1ccc(N2CCCC2)cc1 ZINC000408845448 564007527 /nfs/dbraw/zinc/00/75/27/564007527.db2.gz GXLNUHKDNVYFPR-MOHJPFBDSA-N 0 0 332.491 6.085 40 30 EKEBRN CCOc1cc(C)c(/C=C2\Sc3ccccc3C2=O)cc1C(C)C ZINC000408846047 563898108 /nfs/dbraw/zinc/89/81/08/563898108.db2.gz ONZLJMRJPRHLFR-NDENLUEZSA-N 0 0 338.472 5.847 40 30 EKEBRN Cc1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1 ZINC000408846320 564007551 /nfs/dbraw/zinc/00/75/51/564007551.db2.gz MSXMXWNTQUSOCI-DEDYPNTBSA-N 0 0 339.236 5.299 40 30 EKEBRN Fc1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1 ZINC000408847318 563897950 /nfs/dbraw/zinc/89/79/50/563897950.db2.gz TWJRIMSHJONUOO-UDWIEESQSA-N 0 0 343.199 5.130 40 30 EKEBRN COc1cc(C)c(C=NNc2ccc3ccccc3n2)cc1C(C)C ZINC000408847369 563897935 /nfs/dbraw/zinc/89/79/35/563897935.db2.gz UNCFOQIFIBOZMH-LPYMAVHISA-N 0 0 333.435 5.121 40 30 EKEBRN Cc1ccc(/N=C\c2cccn2-c2ccccc2)c(Br)c1 ZINC000408847439 564007573 /nfs/dbraw/zinc/00/75/73/564007573.db2.gz VQQXKGZQCIXDSF-MOSHPQCFSA-N 0 0 339.236 5.299 40 30 EKEBRN Cc1ccc(C)c(/N=C\c2cc(Br)c(N3CCCC3)o2)c1 ZINC000408847537 257887408 /nfs/dbraw/zinc/88/74/08/257887408.db2.gz NIPNKRABZKFYPN-ODLFYWEKSA-N 0 0 347.256 5.010 40 30 EKEBRN COc1ccc(-n2cccc2/C=N\c2ccc(Cl)cc2Cl)cc1 ZINC000408848426 563898869 /nfs/dbraw/zinc/89/88/69/563898869.db2.gz YVINXIFIJDJAFZ-MTJSOVHGSA-N 0 0 345.229 5.543 40 30 EKEBRN CCCCOC(=O)c1ccc(/N=C\c2c(C)n(C)c3ccccc23)cc1 ZINC000408848457 564007546 /nfs/dbraw/zinc/00/75/46/564007546.db2.gz ZENOFPFAGHZAGA-HAHDFKILSA-N 0 0 348.446 5.194 40 30 EKEBRN Cc1ccc(C)n1-c1ccc(/N=C\c2cccn2-c2ccccc2)cc1 ZINC000408848543 257887564 /nfs/dbraw/zinc/88/75/64/257887564.db2.gz ZQDBBRYMCSDFIE-ULJHMMPZSA-N 0 0 339.442 5.635 40 30 EKEBRN CN(C)c1ccc(-n2cccc2/C=N\c2ccc(C(C)(C)C)cc2)cc1 ZINC000408849293 564007588 /nfs/dbraw/zinc/00/75/88/564007588.db2.gz ZDVITRMLSYUCCW-ULJHMMPZSA-N 0 0 345.490 5.591 40 30 EKEBRN CSc1ccccc1/N=C/c1cccn1-c1ccc(Cl)cc1 ZINC000408849537 563899522 /nfs/dbraw/zinc/89/95/22/563899522.db2.gz XBCYGHUZSGEZMZ-DEDYPNTBSA-N 0 0 326.852 5.603 40 30 EKEBRN Clc1ccc(-n2cccc2C=NNc2ccc3ccccc3n2)cc1 ZINC000408849592 564007590 /nfs/dbraw/zinc/00/75/90/564007590.db2.gz WYRBJXFAOLABGR-HYARGMPZSA-N 0 0 346.821 5.125 40 30 EKEBRN Cc1c(/C=N\c2ccc(C3CCCCC3)cc2)c2ccccc2n1C ZINC000408849673 564007594 /nfs/dbraw/zinc/00/75/94/564007594.db2.gz XQBWTILRBNTQKH-JLPGSUDCSA-N 0 0 330.475 6.285 40 30 EKEBRN C=CCc1cc(/C=N\c2ccc3ccccc3c2)cc(OCC)c1O ZINC000408850023 257887606 /nfs/dbraw/zinc/88/76/06/257887606.db2.gz CZOAAVLVVTUBGQ-HAHDFKILSA-N 0 0 331.415 5.423 40 30 EKEBRN Clc1ccc(-n2cccc2/C=N\c2cccc(Cl)c2Cl)cc1 ZINC000408850316 564007622 /nfs/dbraw/zinc/00/76/22/564007622.db2.gz LEYYRULAFPGDOB-NHDPSOOVSA-N 0 0 349.648 6.188 40 30 EKEBRN Cc1cc(/C=N\c2ccc(Br)cc2)ccc1N1CCCC1 ZINC000408850622 257887515 /nfs/dbraw/zinc/88/75/15/257887515.db2.gz PQRWTRCEYLLHPI-MOSHPQCFSA-N 0 0 343.268 5.108 40 30 EKEBRN Clc1ccc(-n2cccc2/C=N\c2ccc3ccccc3c2)cc1 ZINC000408850731 564007587 /nfs/dbraw/zinc/00/75/87/564007587.db2.gz DGIOCABDOUHEGO-HAHDFKILSA-N 0 0 330.818 6.035 40 30 EKEBRN CCOc1cc(C)c(C=NNc2ccc3ccccc3n2)cc1C(C)C ZINC000408850903 564007623 /nfs/dbraw/zinc/00/76/23/564007623.db2.gz GCYUUJDRVKPFJE-OEAKJJBVSA-N 0 0 347.462 5.511 40 30 EKEBRN Fc1ccccc1/N=C\c1cccn1-c1ccc(Br)cc1 ZINC000408851176 564007657 /nfs/dbraw/zinc/00/76/57/564007657.db2.gz JDEJMLOIQSDFTF-NDENLUEZSA-N 0 0 343.199 5.130 40 30 EKEBRN Oc1cc(Cl)ccc1/N=C\c1cccn1-c1ccc(Cl)cc1 ZINC000408851748 564007579 /nfs/dbraw/zinc/00/75/79/564007579.db2.gz FTNWNLBZRFVKJI-JAIQZWGSSA-N 0 0 331.202 5.240 40 30 EKEBRN CCCCOC(=O)c1ccc(/N=C/c2cccn2-c2ccccc2)cc1 ZINC000408851832 564007566 /nfs/dbraw/zinc/00/75/66/564007566.db2.gz GNASMOLQRCFJLF-HAVVHWLPSA-N 0 0 346.430 5.185 40 30 EKEBRN C=CCc1cc(C=O)cc(OCC)c1OCc1ccc2ccccc2c1 ZINC000408852140 564007582 /nfs/dbraw/zinc/00/75/82/564007582.db2.gz CNHIWRZUXNSHKF-UHFFFAOYSA-N 0 0 346.426 5.359 40 30 EKEBRN Brc1cccc(/N=C\c2ccc(N3CCCCC3)cc2)c1 ZINC000408852212 564007565 /nfs/dbraw/zinc/00/75/65/564007565.db2.gz DJQQKWNSVKLLRZ-ZHZULCJRSA-N 0 0 343.268 5.190 40 30 EKEBRN COc1ccc(-n2cccc2/C=N\c2ccc(Cl)c(Cl)c2)cc1 ZINC000408853010 563900921 /nfs/dbraw/zinc/90/09/21/563900921.db2.gz YANDOXYLQQHWHK-MTJSOVHGSA-N 0 0 345.229 5.543 40 30 EKEBRN C(=N/c1ccc(C2CCCCC2)cc1)\c1cccn1-c1ccccc1 ZINC000408853494 564007681 /nfs/dbraw/zinc/00/76/81/564007681.db2.gz USBLLPATSHPLSZ-HKOYGPOVSA-N 0 0 328.459 6.276 40 30 EKEBRN CC(C)(C)c1ccc(/N=C\c2cccn2-c2ccc(Cl)cc2)cc1 ZINC000408853750 563901263 /nfs/dbraw/zinc/90/12/63/563901263.db2.gz RDISTMPIYAMEDC-HAHDFKILSA-N 0 0 336.866 6.179 40 30 EKEBRN Clc1ccc(-n2cccc2/C=N\c2ccc(Cl)c(Cl)c2)cc1 ZINC000408853929 563901426 /nfs/dbraw/zinc/90/14/26/563901426.db2.gz ZZSGGLMYGAYBLC-NHDPSOOVSA-N 0 0 349.648 6.188 40 30 EKEBRN CCN(CC)c1ccc(/N=C\c2ccc(N3CCCCC3)cc2)cc1 ZINC000408854885 564007674 /nfs/dbraw/zinc/00/76/74/564007674.db2.gz KHTHTOSBOJGIEC-NKFKGCMQSA-N 0 0 335.495 5.274 40 30 EKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\OCc2ccccc2)c1C ZINC000408855477 563901490 /nfs/dbraw/zinc/90/14/90/563901490.db2.gz FMCBWKRFYIBLBI-IWIPYMOSSA-N 0 0 346.474 5.516 40 30 EKEBRN Cc1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000408855539 563901546 /nfs/dbraw/zinc/90/15/46/563901546.db2.gz NWDPXEASNPUKCY-UDWIEESQSA-N 0 0 339.782 5.098 40 30 EKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\c2cccc(O)c2)c1C ZINC000408855637 563901498 /nfs/dbraw/zinc/90/14/98/563901498.db2.gz FIIXRPLCZWQEAX-UCQKPKSFSA-N 0 0 332.447 5.421 40 30 EKEBRN Clc1ccc(-n2cccc2/C=N\c2ccc(Cl)cc2Cl)cc1 ZINC000408855907 257886989 /nfs/dbraw/zinc/88/69/89/257886989.db2.gz HZOODQDBLJDQRA-NHDPSOOVSA-N 0 0 349.648 6.188 40 30 EKEBRN Cc1cc(Br)ccc1/N=C\c1cccn1-c1ccccc1 ZINC000408856013 563901733 /nfs/dbraw/zinc/90/17/33/563901733.db2.gz HUNGSTWPAJSCFD-MOSHPQCFSA-N 0 0 339.236 5.299 40 30 EKEBRN Cc1c(/C=N/c2ccc(Br)cc2C)c2ccccc2n1C ZINC000408856220 257886919 /nfs/dbraw/zinc/88/69/19/257886919.db2.gz PTUDQLIXMJVOOD-RGVLZGJSSA-N 0 0 341.252 5.308 40 30 EKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccccc2F)c1C ZINC000408856746 563901419 /nfs/dbraw/zinc/90/14/19/563901419.db2.gz KXWLWMFNVWTVSL-OYKKKHCWSA-N 0 0 334.438 5.855 40 30 EKEBRN Cc1ccccc1/N=C\c1cccn1-c1ccc(Br)cc1 ZINC000408856804 564007651 /nfs/dbraw/zinc/00/76/51/564007651.db2.gz RGYHTIPAFAAKAA-MOSHPQCFSA-N 0 0 339.236 5.299 40 30 EKEBRN Clc1ccc(-n2cccc2/C=N/c2cccc3ccccc32)cc1 ZINC000408857870 257887080 /nfs/dbraw/zinc/88/70/80/257887080.db2.gz NEFXGFNPMPKSBH-HZHRSRAPSA-N 0 0 330.818 6.035 40 30 EKEBRN Clc1cccc(/N=C/c2ccc(N3CCCCC3)cc2)c1Cl ZINC000408858809 563902503 /nfs/dbraw/zinc/90/25/03/563902503.db2.gz SUVUMFPRXJWJEN-FYJGNVAPSA-N 0 0 333.262 5.734 40 30 EKEBRN CCc1cccc(C)c1-n1c(C)cc(C=NNc2ccccc2)c1C ZINC000408858945 564007745 /nfs/dbraw/zinc/00/77/45/564007745.db2.gz RQQMNXJEGHLIEM-HZHRSRAPSA-N 0 0 331.463 5.411 40 30 EKEBRN Cc1ccc(/N=C\c2cc(Br)c(N3CCCC3)o2)c(C)c1 ZINC000408859325 257887039 /nfs/dbraw/zinc/88/70/39/257887039.db2.gz VUKISKXPGFYSCK-ODLFYWEKSA-N 0 0 347.256 5.010 40 30 EKEBRN CC(C)c1cc(/C=C2\Sc3ccccc3C2=O)cc(C(C)C)c1O ZINC000408859458 564007716 /nfs/dbraw/zinc/00/77/16/564007716.db2.gz UKMIHKNKUVYQNS-ODLFYWEKSA-N 0 0 338.472 5.969 40 30 EKEBRN CCN(CC)c1ccc(/N=C/c2cccn2-c2ccc(OC)cc2)cc1 ZINC000408859635 257887025 /nfs/dbraw/zinc/88/70/25/257887025.db2.gz VUZYQGKVFNPCPU-HAVVHWLPSA-N 0 0 347.462 5.083 40 30 EKEBRN COc1ccc(Cl)cc1/N=C/c1cccn1-c1ccc(Cl)cc1 ZINC000408859646 563902582 /nfs/dbraw/zinc/90/25/82/563902582.db2.gz VYCIDHIOVDSEJF-CIAFOILYSA-N 0 0 345.229 5.543 40 30 EKEBRN Cc1cc(C=NNc2ccccc2)cc(C)c1OCc1ccc(F)cc1 ZINC000408859658 563902566 /nfs/dbraw/zinc/90/25/66/563902566.db2.gz YVXFYQOGZLMNHF-OYKKKHCWSA-N 0 0 348.421 5.468 40 30 EKEBRN CCCN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1ccccc1 ZINC000408906413 564007917 /nfs/dbraw/zinc/00/79/17/564007917.db2.gz BJBQDTVJXQOKBA-VJZPTHRXSA-N 0 0 348.471 5.257 40 30 EKEBRN Clc1cccc(-c2ccc(/C=N/c3ccc4c(c3)OCO4)o2)c1 ZINC000408910035 564007969 /nfs/dbraw/zinc/00/79/69/564007969.db2.gz IUTXWABKHISMGP-KEBDBYFISA-N 0 0 325.751 5.079 40 30 EKEBRN CC(C)N1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1ccccc1 ZINC000408910813 564007983 /nfs/dbraw/zinc/00/79/83/564007983.db2.gz LIMMNZJUNVMPDT-VJZPTHRXSA-N 0 0 348.471 5.255 40 30 EKEBRN Cc1ccc(Cl)cc1-c1ccc(/C=N/c2ccc3c(c2)OCO3)o1 ZINC000408911009 257886467 /nfs/dbraw/zinc/88/64/67/257886467.db2.gz MNCJRMHOCYKNNJ-UFFVCSGVSA-N 0 0 339.778 5.388 40 30 EKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2ccc3c(c2)OCO3)c1C ZINC000408911628 563910086 /nfs/dbraw/zinc/91/00/86/563910086.db2.gz AFSWSGVGLOOKRP-YDZHTSKRSA-N 0 0 346.430 5.136 40 30 EKEBRN Clc1ccc(-c2ccc(/C=N/c3ccc4c(c3)OCO4)o2)cc1 ZINC000408911645 564008003 /nfs/dbraw/zinc/00/80/03/564008003.db2.gz AUCWSJIVROLWBV-KEBDBYFISA-N 0 0 325.751 5.079 40 30 EKEBRN CCN1C(=O)/C(=C\C=C\c2ccccc2)S/C1=N\c1ccc(C)cc1 ZINC000408911702 564007981 /nfs/dbraw/zinc/00/79/81/564007981.db2.gz NWWPYLLEPGDOHC-VAFVYZISSA-N 0 0 348.471 5.175 40 30 EKEBRN Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1ccc(C)cc1C ZINC000408911953 257886189 /nfs/dbraw/zinc/88/61/89/257886189.db2.gz PDALMEIGROGCRM-FSJBWODESA-N 0 0 346.430 5.190 40 30 EKEBRN Cc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1 ZINC000408914135 563910169 /nfs/dbraw/zinc/91/01/69/563910169.db2.gz VPXYTIVCXCPSCW-BIXZQSIESA-N 0 0 336.460 5.007 40 30 EKEBRN CCCN1C(=O)/C(=C\c2sccc2C)S/C1=N\c1ccccc1 ZINC000408914177 257886271 /nfs/dbraw/zinc/88/62/71/257886271.db2.gz VWPXUFQXAVJDQV-BOXNHUFISA-N 0 0 342.489 5.071 40 30 EKEBRN Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1cccc(C)c1C ZINC000408915509 257886307 /nfs/dbraw/zinc/88/63/07/257886307.db2.gz WOZLRDILNVCVNL-FSJBWODESA-N 0 0 346.430 5.190 40 30 EKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccccc3)C(=O)N2C(C)C)cc1 ZINC000408915537 257886119 /nfs/dbraw/zinc/88/61/19/257886119.db2.gz PXYZSZRAWCSCKL-BIXZQSIESA-N 0 0 336.460 5.007 40 30 EKEBRN CCc1ccccc1/N=C1\S/C(=C/C=C/c2ccccc2)C(=O)N1C ZINC000408915845 257886014 /nfs/dbraw/zinc/88/60/14/257886014.db2.gz QZBAKJYPJBRVIW-VJZPTHRXSA-N 0 0 348.471 5.039 40 30 EKEBRN CCCN1C(=O)/C(=C\c2ccccc2)S/C1=N\c1ccc(C)cc1 ZINC000408915865 257886327 /nfs/dbraw/zinc/88/63/27/257886327.db2.gz RCTPKYZOVBATSK-HOOMGSECSA-N 0 0 336.460 5.009 40 30 EKEBRN CCCN1C(=O)/C(=C\c2ccccc2C)S/C1=N\c1ccccc1 ZINC000408915982 564008024 /nfs/dbraw/zinc/00/80/24/564008024.db2.gz SQXWXSOENJXMLK-HOOMGSECSA-N 0 0 336.460 5.009 40 30 EKEBRN Cc1oc(/N=C/c2ccc(-c3cc(Cl)ccc3C)o2)c(C#N)c1C ZINC000408918424 257885942 /nfs/dbraw/zinc/88/59/42/257885942.db2.gz KIIQVLNMEOAYCT-LSHDLFTRSA-N 0 0 338.794 5.741 40 30 EKEBRN Cc1sc(N=NC(C)c2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000408926778 564008050 /nfs/dbraw/zinc/00/80/50/564008050.db2.gz ZHPKRQOTXQBHLF-CIAFOILYSA-N 0 0 341.867 5.608 40 30 EKEBRN Cc1cc(/N=C/c2cccn2-c2cccc(C(F)(F)F)c2)ccc1F ZINC000408932625 564008140 /nfs/dbraw/zinc/00/81/40/564008140.db2.gz YJFKMRHYJKAEJW-WYMPLXKRSA-N 0 0 346.327 5.694 40 30 EKEBRN Cc1ccc(/N=C/c2cccn2-c2cccc(C(F)(F)F)c2)cc1C ZINC000408932804 262505553 /nfs/dbraw/zinc/50/55/53/262505553.db2.gz FCFGRISNGQSRDC-ZMOGYAJESA-N 0 0 342.364 5.864 40 30 EKEBRN FC(F)(F)c1ccc(NN=Cc2ccc(Cl)cc2Cl)cc1 ZINC000408932906 563913139 /nfs/dbraw/zinc/91/31/39/563913139.db2.gz FQRSULFIZALCLN-ZBKNUEDVSA-N 0 0 333.140 5.458 40 30 EKEBRN Cc1ccc(C)c(/N=C\c2cccn2-c2cccc(C(F)(F)F)c2)c1 ZINC000408933394 563913146 /nfs/dbraw/zinc/91/31/46/563913146.db2.gz JGVPZMCNCGYBRB-CFRMEGHHSA-N 0 0 342.364 5.864 40 30 EKEBRN FC(F)(F)c1cccc(-n2cccc2/C=N/c2cccc(Cl)c2)c1 ZINC000408933432 564008119 /nfs/dbraw/zinc/00/81/19/564008119.db2.gz JPBWYEHGNGSXOW-FSJBWODESA-N 0 0 348.755 5.900 40 30 EKEBRN CCn1cc(C=NNc2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000408934191 563913155 /nfs/dbraw/zinc/91/31/55/563913155.db2.gz LPSNSJIDRKNUGE-JJFYIABZSA-N 0 0 331.341 5.126 40 30 EKEBRN CC[C@@H](C)Oc1ccc(C=NNc2ccc(C(F)(F)F)cc2)cc1 ZINC000408934573 564008121 /nfs/dbraw/zinc/00/81/21/564008121.db2.gz LXYGTFSMCFYPKT-IKTNTUJMSA-N 0 0 336.357 5.329 40 30 EKEBRN CC[C@H](C)Oc1ccc(C=NNc2ccc(C(F)(F)F)cc2)cc1 ZINC000408934579 564008106 /nfs/dbraw/zinc/00/81/06/564008106.db2.gz LXYGTFSMCFYPKT-QGNWGPJTSA-N 0 0 336.357 5.329 40 30 EKEBRN COc1cccc(/N=C/c2cccn2-c2cccc(C(F)(F)F)c2)c1 ZINC000408934752 564008099 /nfs/dbraw/zinc/00/80/99/564008099.db2.gz MJTICSBAADXAKI-YDZHTSKRSA-N 0 0 344.336 5.255 40 30 EKEBRN C=CCn1cc(C=NNc2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000408936293 564008134 /nfs/dbraw/zinc/00/81/34/564008134.db2.gz PBNKOUZRCMNHNH-FMCGGJTJSA-N 0 0 343.352 5.292 40 30 EKEBRN C(=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1)\c1ccco1 ZINC000408936485 564008153 /nfs/dbraw/zinc/00/81/53/564008153.db2.gz KLLFQFVYOQJMJJ-FZYXMWPSSA-N 0 0 340.426 5.857 40 30 EKEBRN C(=N/c1ccc([C@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1)\c1ccco1 ZINC000408936486 563913684 /nfs/dbraw/zinc/91/36/84/563913684.db2.gz KLLFQFVYOQJMJJ-HHPFVMFBSA-N 0 0 340.426 5.857 40 30 EKEBRN C(=N/c1ccc([C@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1)\c1ccco1 ZINC000408936487 564008151 /nfs/dbraw/zinc/00/81/51/564008151.db2.gz KLLFQFVYOQJMJJ-KQMYUEFMSA-N 0 0 340.426 5.857 40 30 EKEBRN C(=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1)\c1ccco1 ZINC000408936488 564008143 /nfs/dbraw/zinc/00/81/43/564008143.db2.gz KLLFQFVYOQJMJJ-QLJSOMRTSA-N 0 0 340.426 5.857 40 30 EKEBRN CC(C)COc1ccc(C=NNc2ccc(C(F)(F)F)cc2)cc1 ZINC000408937384 564008185 /nfs/dbraw/zinc/00/81/85/564008185.db2.gz QNAWYNQUKAGGQK-JJFYIABZSA-N 0 0 336.357 5.186 40 30 EKEBRN Cc1ccccc1/N=C\c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000408939772 563913658 /nfs/dbraw/zinc/91/36/58/563913658.db2.gz UIIXXYMDRHFMCW-QRVIBDJDSA-N 0 0 328.337 5.555 40 30 EKEBRN Fc1cccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)c1 ZINC000408947919 257885889 /nfs/dbraw/zinc/88/58/89/257885889.db2.gz BQHZSNRHCBTZJR-LFVJCYFKSA-N 0 0 341.389 5.429 40 30 EKEBRN Fc1cccc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000408948715 564008239 /nfs/dbraw/zinc/00/82/39/564008239.db2.gz DHTDOFXKZBHCMF-DJKKODMXSA-N 0 0 331.803 5.049 40 30 EKEBRN CSc1ccccc1/N=C/c1cccn1-c1ccc(N(C)C)cc1 ZINC000408949276 563914322 /nfs/dbraw/zinc/91/43/22/563914322.db2.gz AKJPZHAATXZTGT-RCCKNPSSSA-N 0 0 335.476 5.016 40 30 EKEBRN Cc1c(Cl)cccc1/N=C/c1cccn1-c1ccc(N(C)C)cc1 ZINC000408949282 563914404 /nfs/dbraw/zinc/91/44/04/563914404.db2.gz ALHIOYDLZMAMGG-HYARGMPZSA-N 0 0 337.854 5.256 40 30 EKEBRN COc1ccc(-n2cccc2/C=N\c2ccc(C(C)(C)C)cc2)cc1 ZINC000408949635 564008211 /nfs/dbraw/zinc/00/82/11/564008211.db2.gz BROXBJLWTZBGFX-KQWNVCNZSA-N 0 0 332.447 5.534 40 30 EKEBRN CN(C)c1ccc(-n2cccc2/C=N\c2ccc3ccccc3c2)cc1 ZINC000408951196 563914397 /nfs/dbraw/zinc/91/43/97/563914397.db2.gz ICOYSLPTQSXMNR-ULJHMMPZSA-N 0 0 339.442 5.447 40 30 EKEBRN CN(C)c1ccc(-n2cccc2/C=N/c2cccc3ccccc32)cc1 ZINC000408952787 563914580 /nfs/dbraw/zinc/91/45/80/563914580.db2.gz MUOUKHIHQBDFHQ-JJIBRWJFSA-N 0 0 339.442 5.447 40 30 EKEBRN CCCCc1ccc(/N=C/c2cccn2-c2ccc(N(C)C)cc2)cc1 ZINC000408953994 563915372 /nfs/dbraw/zinc/91/53/72/563915372.db2.gz RITDMADWBPAAEL-HKOYGPOVSA-N 0 0 345.490 5.637 40 30 EKEBRN COc1ccc(-n2cccc2/C=N\c2cccc(Cl)c2Cl)cc1 ZINC000408954382 564008247 /nfs/dbraw/zinc/00/82/47/564008247.db2.gz SSPUREMOXFYVSD-MTJSOVHGSA-N 0 0 345.229 5.543 40 30 EKEBRN Cc1oc(/N=C/c2ccccc2OCc2ccccc2)c(C#N)c1C ZINC000408954946 257885604 /nfs/dbraw/zinc/88/56/04/257885604.db2.gz NVXAVHRVVQWQFB-YDZHTSKRSA-N 0 0 330.387 5.098 40 30 EKEBRN COc1ccc(-n2cccc2/C=N\c2ccc3ccccc3c2)cc1 ZINC000408955056 564008279 /nfs/dbraw/zinc/00/82/79/564008279.db2.gz VQDSFRHSCZSFRL-KQWNVCNZSA-N 0 0 326.399 5.390 40 30 EKEBRN Cc1oc(/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c(C#N)c1C ZINC000408955525 563915742 /nfs/dbraw/zinc/91/57/42/563915742.db2.gz OUXWWADUXRQKEG-LSHDLFTRSA-N 0 0 338.794 5.741 40 30 EKEBRN Cc1ccc(/N=C/c2cccn2-c2ccc(N(C)C)cc2)cc1Cl ZINC000408955700 563915738 /nfs/dbraw/zinc/91/57/38/563915738.db2.gz YOVJARYACFRNST-HYARGMPZSA-N 0 0 337.854 5.256 40 30 EKEBRN C(=N/c1ccc(Nc2ccccc2)cc1)\c1ccc(N2CCCC2)cc1 ZINC000408959504 257885241 /nfs/dbraw/zinc/88/52/41/257885241.db2.gz ABODJQMWGCEBFE-HKOYGPOVSA-N 0 0 341.458 5.781 40 30 EKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccccc2O)c1C ZINC000408959534 517852158 /nfs/dbraw/zinc/85/21/58/517852158.db2.gz APICASRIBQLHBO-UCQKPKSFSA-N 0 0 332.447 5.421 40 30 EKEBRN CN(C)c1ccc(-n2cccc2/C=N/c2ccc(F)c(Cl)c2)cc1 ZINC000408959619 564008274 /nfs/dbraw/zinc/00/82/74/564008274.db2.gz CCMCJECXIFCISP-LPYMAVHISA-N 0 0 341.817 5.086 40 30 EKEBRN Cc1cc(N2CCCC2)ccc1/C=N\c1ccc(Cl)c(Cl)c1 ZINC000408959643 564008294 /nfs/dbraw/zinc/00/82/94/564008294.db2.gz CLBSANFHLMGXEY-MTJSOVHGSA-N 0 0 333.262 5.653 40 30 EKEBRN Brc1ccccc1/N=C\c1ccc(N2CCCCC2)cc1 ZINC000408959676 564008287 /nfs/dbraw/zinc/00/82/87/564008287.db2.gz CYZZJQBXPRQOMO-ZHZULCJRSA-N 0 0 343.268 5.190 40 30 EKEBRN Cc1cc(N2CCCC2)ccc1/C=N\c1ccccc1Br ZINC000408959688 257885239 /nfs/dbraw/zinc/88/52/39/257885239.db2.gz DGGKKEMHEPZAFG-MOSHPQCFSA-N 0 0 343.268 5.108 40 30 EKEBRN Cc1cc(N2CCCC2)ccc1/C=N\c1ccc(Cl)cc1Cl ZINC000408959700 564008270 /nfs/dbraw/zinc/00/82/70/564008270.db2.gz DKYIZMXEFLCRBJ-MTJSOVHGSA-N 0 0 333.262 5.653 40 30 EKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccccc2C)c1C ZINC000408959806 257885319 /nfs/dbraw/zinc/88/53/19/257885319.db2.gz GDUYRDXTSNMFED-IWIPYMOSSA-N 0 0 330.475 6.024 40 30 EKEBRN Cc1cc(/N=C/c2ccc(N3CCCC3)cc2)ccc1Br ZINC000408960066 563915884 /nfs/dbraw/zinc/91/58/84/563915884.db2.gz IXVRBVIADUUQKK-DEDYPNTBSA-N 0 0 343.268 5.108 40 30 EKEBRN Cc1cc(N2CCCC2)ccc1/C=N\c1cccc(Cl)c1Cl ZINC000408960241 564008278 /nfs/dbraw/zinc/00/82/78/564008278.db2.gz KBXQKHGAMOGNIV-MTJSOVHGSA-N 0 0 333.262 5.653 40 30 EKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc(OC)cc2)c1C ZINC000408960259 564008269 /nfs/dbraw/zinc/00/82/69/564008269.db2.gz KIYABTPVPRLOCE-IWIPYMOSSA-N 0 0 346.474 5.724 40 30 EKEBRN CCN(CC)c1ccc(/N=C/c2ccc(N3CCCC3)cc2C)cc1 ZINC000408960369 564008305 /nfs/dbraw/zinc/00/83/05/564008305.db2.gz LGIWLMAZBKRCBQ-HAVVHWLPSA-N 0 0 335.495 5.192 40 30 EKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc(C)cc2C)c1C ZINC000408960461 563915964 /nfs/dbraw/zinc/91/59/64/563915964.db2.gz LXHUVZZLFATOLR-MYYYXRDXSA-N 0 0 344.502 6.332 40 30 EKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\c2cc(C)ccc2C)c1C ZINC000408960593 563915965 /nfs/dbraw/zinc/91/59/65/563915965.db2.gz NBTFVTWYLRRFRD-MYYYXRDXSA-N 0 0 344.502 6.332 40 30 EKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\c2cccc(C)c2)c1C ZINC000408960610 564008297 /nfs/dbraw/zinc/00/82/97/564008297.db2.gz NEWPMJMVIONCBN-IWIPYMOSSA-N 0 0 330.475 6.024 40 30 EKEBRN Clc1ccc(/N=C\c2ccc(N3CCCCC3)cc2)cc1Cl ZINC000408960693 257885327 /nfs/dbraw/zinc/88/53/27/257885327.db2.gz NWDVNPVJWLWPGD-BKUYFWCQSA-N 0 0 333.262 5.734 40 30 EKEBRN CCc1ccccc1/N=C/c1cc(C)n(-c2c(C)cccc2CC)c1C ZINC000408960700 563916054 /nfs/dbraw/zinc/91/60/54/563916054.db2.gz OATBUFSXKUBBNI-PCLIKHOPSA-N 0 0 344.502 6.278 40 30 EKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc(OC)nc2)c1C ZINC000408960803 257885499 /nfs/dbraw/zinc/88/54/99/257885499.db2.gz OEYYQAYJSNQZLQ-QRVIBDJDSA-N 0 0 347.462 5.119 40 30 EKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/c2cccc(OC)c2)c1C ZINC000408960841 257885352 /nfs/dbraw/zinc/88/53/52/257885352.db2.gz OQKRPIXBCIXCIE-BUVRLJJBSA-N 0 0 346.474 5.724 40 30 EKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(C)cc2)c1C ZINC000408960852 564008290 /nfs/dbraw/zinc/00/82/90/564008290.db2.gz OUJJCGPCBUKEEC-BUVRLJJBSA-N 0 0 330.475 6.024 40 30 EKEBRN COc1ccc(Cl)cc1/N=C/c1ccc(N2CCCC2)cc1C ZINC000408960881 257885461 /nfs/dbraw/zinc/88/54/61/257885461.db2.gz PEMJVMWYFGGCPD-FYJGNVAPSA-N 0 0 328.843 5.008 40 30 EKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(F)c(C)c2)c1C ZINC000408961002 564008317 /nfs/dbraw/zinc/00/83/17/564008317.db2.gz PRQIDJDXAOAHBX-AFUMVMLFSA-N 0 0 348.465 6.163 40 30 EKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(F)cc2)c1C ZINC000408961058 563916083 /nfs/dbraw/zinc/91/60/83/563916083.db2.gz QNVYEFWZNRNMJX-ZVHZXABRSA-N 0 0 334.438 5.855 40 30 EKEBRN Cc1cc(N2CCCC2)ccc1/C=N/c1ccc(-c2ccccc2)cc1 ZINC000408961433 563916130 /nfs/dbraw/zinc/91/61/30/563916130.db2.gz SUUQHORWSBKWOO-XIEYBQDHSA-N 0 0 340.470 6.013 40 30 EKEBRN COc1ccc(/N=C/c2ccc(N3CCCC3)cc2C)cc1Cl ZINC000408961754 564008367 /nfs/dbraw/zinc/00/83/67/564008367.db2.gz VGNJWJJYLFSUMV-FYJGNVAPSA-N 0 0 328.843 5.008 40 30 EKEBRN Cc1cc(N2CCCC2)ccc1/C=N/c1ccc(Br)cc1 ZINC000408962559 563916139 /nfs/dbraw/zinc/91/61/39/563916139.db2.gz ZCFQAEFQEOFERV-DEDYPNTBSA-N 0 0 343.268 5.108 40 30 EKEBRN Clc1ccc(/N=C\c2ccc(N3CCCCC3)cc2)c(Cl)c1 ZINC000408962607 257885607 /nfs/dbraw/zinc/88/56/07/257885607.db2.gz ZRTXLLTVZMTILP-BKUYFWCQSA-N 0 0 333.262 5.734 40 30 EKEBRN Cc1cc(/C=N\c2ccccc2C)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408964230 568415151 /nfs/dbraw/zinc/41/51/51/568415151.db2.gz CGRGUZFTHQQJDY-XYGWBWBKSA-N 0 0 344.502 6.451 40 30 EKEBRN Cc1cc(/C=N/c2ccccc2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408964722 563916646 /nfs/dbraw/zinc/91/66/46/563916646.db2.gz DHOGXPJYFPLQNX-LFVJCYFKSA-N 0 0 330.475 6.142 40 30 EKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccccc3)c2C)c1 ZINC000408965000 563916758 /nfs/dbraw/zinc/91/67/58/563916758.db2.gz FIDOLZGHCDWNQT-HZHRSRAPSA-N 0 0 346.430 5.021 40 30 EKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2cccc(Cl)c2)c1C ZINC000408965050 564008374 /nfs/dbraw/zinc/00/83/74/564008374.db2.gz FSXQOJKNLWTDRM-OEAKJJBVSA-N 0 0 336.866 6.061 40 30 EKEBRN CCc1ccccc1-n1c(C)cc(/C=N\Cc2ccc(OC)cc2)c1C ZINC000408965074 563916777 /nfs/dbraw/zinc/91/67/77/563916777.db2.gz GAARFHZNRTUYRD-JLPGSUDCSA-N 0 0 346.474 5.284 40 30 EKEBRN CCc1ccccc1-n1c(C)cc(/C=N\c2cccc([N+](=O)[O-])c2)c1C ZINC000408965086 257884869 /nfs/dbraw/zinc/88/48/69/257884869.db2.gz GCEOWJOMRTXFQE-HMAPJEAMSA-N 0 0 347.418 5.315 40 30 EKEBRN Cc1cc(/C=N/c2cccnc2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408965124 257884967 /nfs/dbraw/zinc/88/49/67/257884967.db2.gz GHSKXOPCMDEXCF-ZVHZXABRSA-N 0 0 331.463 5.537 40 30 EKEBRN Cc1cc(/C=N\c2cccc(C)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408965153 257885067 /nfs/dbraw/zinc/88/50/67/257885067.db2.gz GNYVVMLSVPBFPF-XYGWBWBKSA-N 0 0 344.502 6.451 40 30 EKEBRN Cc1cc(/C=N\c2ccccc2F)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408965408 564008407 /nfs/dbraw/zinc/00/84/07/564008407.db2.gz GZOHKQNFHSIVCU-MYYYXRDXSA-N 0 0 348.465 6.281 40 30 EKEBRN CCc1ccccc1-n1c(C)cc(/C=N\c2ccc(OC)cc2)c1C ZINC000408965450 564008393 /nfs/dbraw/zinc/00/83/93/564008393.db2.gz HMOBTRGXIBJUQT-HAHDFKILSA-N 0 0 332.447 5.416 40 30 EKEBRN Cc1cc(/C=N\c2cccc(O)c2)c(C)n1-c1ccc2ncccc2c1 ZINC000408965515 564008406 /nfs/dbraw/zinc/00/84/06/564008406.db2.gz IDZOCFJMPXMIDE-OYKKKHCWSA-N 0 0 341.414 5.099 40 30 EKEBRN CCc1ccccc1-n1c(C)cc(/C=N\c2ccc(Cl)cc2)c1C ZINC000408965518 564008376 /nfs/dbraw/zinc/00/83/76/564008376.db2.gz IBUQQFAWCXSFLJ-UCQKPKSFSA-N 0 0 336.866 6.061 40 30 EKEBRN Cc1cc(/C=N/Cc2ccccc2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408965855 564008394 /nfs/dbraw/zinc/00/83/94/564008394.db2.gz JENUYRAAQJBCER-KOEQRZSOSA-N 0 0 344.502 6.011 40 30 EKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(C(C)C)cc2)c1C ZINC000408965871 564008405 /nfs/dbraw/zinc/00/84/05/564008405.db2.gz JMQGAQBLYJTNDI-PCLIKHOPSA-N 0 0 344.502 6.531 40 30 EKEBRN CCOc1ccccc1/N=C\c1cc(C)n(-c2ccccc2CC)c1C ZINC000408965872 564008403 /nfs/dbraw/zinc/00/84/03/564008403.db2.gz JNHZIDZBOPQFNG-JLPGSUDCSA-N 0 0 346.474 5.806 40 30 EKEBRN Cc1cc(/C=N\c2ccccc2F)c(C)n1-c1ccc2ncccc2c1 ZINC000408966417 564008308 /nfs/dbraw/zinc/00/83/08/564008308.db2.gz MQRCDZYEDAIADV-QFEZKATASA-N 0 0 343.405 5.532 40 30 EKEBRN CCOc1cccc(/N=C\c2cc(C)n(-c3ccccc3CC)c2C)c1 ZINC000408966418 564008310 /nfs/dbraw/zinc/00/83/10/564008310.db2.gz LMYBQZSHFGKUJU-JLPGSUDCSA-N 0 0 346.474 5.806 40 30 EKEBRN CCc1ccccc1-n1c(C)cc(/C=N\c2ccccc2Cl)c1C ZINC000408966669 564008300 /nfs/dbraw/zinc/00/83/00/564008300.db2.gz MXLKHCFIVYBHBS-UCQKPKSFSA-N 0 0 336.866 6.061 40 30 EKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2ccccc2C(C)C)c1C ZINC000408966747 563918183 /nfs/dbraw/zinc/91/81/83/563918183.db2.gz NFPPAJAIYYJJSQ-PCLIKHOPSA-N 0 0 344.502 6.531 40 30 EKEBRN Cc1cc(/C=N/c2ccc(O)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408966959 564008428 /nfs/dbraw/zinc/00/84/28/564008428.db2.gz OGNRPGJRDFTDQB-BUVRLJJBSA-N 0 0 346.474 5.848 40 30 EKEBRN Cc1cc(/C=N\c2cccc(O)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408966985 563918112 /nfs/dbraw/zinc/91/81/12/563918112.db2.gz OPLRQTSYZIIBDL-IWIPYMOSSA-N 0 0 346.474 5.848 40 30 EKEBRN Cc1cc(/C=N\c2ccccc2C)c(C)n1-c1ccc2ncccc2c1 ZINC000408967039 563918158 /nfs/dbraw/zinc/91/81/58/563918158.db2.gz PIGHTNFLWVHXPW-MYYYXRDXSA-N 0 0 339.442 5.701 40 30 EKEBRN Clc1ccc(/C=N/c2ccc(Br)c(Cl)c2)s1 ZINC000408967204 257884763 /nfs/dbraw/zinc/88/47/63/257884763.db2.gz QPWQQHVIGZQLJY-GIDUJCDVSA-N 0 0 335.053 5.568 40 30 EKEBRN CCc1ccccc1-n1c(C)cc(/C=N\c2ccc(N(C)C)cc2)c1C ZINC000408967319 563918167 /nfs/dbraw/zinc/91/81/67/563918167.db2.gz PXJICSCZENHVPF-JLPGSUDCSA-N 0 0 345.490 5.473 40 30 EKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2cccc(OC)c2)c1C ZINC000408967423 563918178 /nfs/dbraw/zinc/91/81/78/563918178.db2.gz QNSSUVCAJPPMTE-HZHRSRAPSA-N 0 0 332.447 5.416 40 30 EKEBRN Cc1cc(/C=N/c2ccc(O)cc2)c(C)n1-c1ccc2ncccc2c1 ZINC000408967494 564008420 /nfs/dbraw/zinc/00/84/20/564008420.db2.gz SOGQKGRUSAIATP-ZVHZXABRSA-N 0 0 341.414 5.099 40 30 EKEBRN Cc1cc(/C=N\c2ccccc2O)c(C)n1-c1ccc2ncccc2c1 ZINC000408967551 563918131 /nfs/dbraw/zinc/91/81/31/563918131.db2.gz UBSNXCGPAXVIFC-OYKKKHCWSA-N 0 0 341.414 5.099 40 30 EKEBRN CCc1ccccc1-n1c(C)cc(/C=N\c2cc(C)ccc2C)c1C ZINC000408967631 564008416 /nfs/dbraw/zinc/00/84/16/564008416.db2.gz RHUWMLDJDOXXMN-IWIPYMOSSA-N 0 0 330.475 6.024 40 30 EKEBRN CCc1ccc(/N=C/c2cc(C)n(-c3ccccc3CC)c2C)cc1 ZINC000408967656 563918116 /nfs/dbraw/zinc/91/81/16/563918116.db2.gz RLDIGVQRJHMWPP-LFVJCYFKSA-N 0 0 330.475 5.970 40 30 EKEBRN Cc1cc(/C=N/c2ccc(F)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408967669 564008434 /nfs/dbraw/zinc/00/84/34/564008434.db2.gz RMOQISRQUPZJRE-MFKUBSTISA-N 0 0 348.465 6.281 40 30 EKEBRN CCc1ccccc1-n1c(C)cc(C=Nc2ccc(C(C)=O)cc2)c1C ZINC000408967803 257885095 /nfs/dbraw/zinc/88/50/95/257885095.db2.gz SFNGYZIHLDMULT-BUVRLJJBSA-N 0 0 344.458 5.610 40 30 EKEBRN Cc1cc(/C=N/c2cccc(F)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408967830 564008446 /nfs/dbraw/zinc/00/84/46/564008446.db2.gz SIJRPBFIWQLQPI-MFKUBSTISA-N 0 0 348.465 6.281 40 30 EKEBRN Cc1cc(/C=N\c2ccccc2O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408967840 563918248 /nfs/dbraw/zinc/91/82/48/563918248.db2.gz SJJBKAZUAJZQTN-IWIPYMOSSA-N 0 0 346.474 5.848 40 30 EKEBRN Cc1cc(/C=N\c2cccc(C)c2)c(C)n1-c1ccc2ncccc2c1 ZINC000408968299 563918235 /nfs/dbraw/zinc/91/82/35/563918235.db2.gz YAWDJHRSMQRLHR-MYYYXRDXSA-N 0 0 339.442 5.701 40 30 EKEBRN CCc1ccccc1-n1c(C)cc(/C=N\c2ccc(C)cc2C)c1C ZINC000408968309 257884759 /nfs/dbraw/zinc/88/47/59/257884759.db2.gz VFSKZTROSMHFML-IWIPYMOSSA-N 0 0 330.475 6.024 40 30 EKEBRN CCc1ccccc1/N=C/c1cc(C)n(-c2ccccc2CC)c1C ZINC000408968322 564008445 /nfs/dbraw/zinc/00/84/45/564008445.db2.gz VJMVGNIPPZMPRI-LFVJCYFKSA-N 0 0 330.475 5.970 40 30 EKEBRN Cc1cc(/C=N/c2ccc(C)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408968360 563918233 /nfs/dbraw/zinc/91/82/33/563918233.db2.gz VYNQLZYAMFODSZ-PCLIKHOPSA-N 0 0 344.502 6.451 40 30 EKEBRN CCc1ccccc1-n1c(C)cc(/C=N\c2ccc([N+](=O)[O-])cc2)c1C ZINC000408968374 564008452 /nfs/dbraw/zinc/00/84/52/564008452.db2.gz WCRSQSDGNODTHM-HMAPJEAMSA-N 0 0 347.418 5.315 40 30 EKEBRN CCc1ccccc1-n1c(C)cc(C=Nc2cccc(C(C)=O)c2)c1C ZINC000408968525 257884773 /nfs/dbraw/zinc/88/47/73/257884773.db2.gz WSBPWYSEGGWBHJ-BUVRLJJBSA-N 0 0 344.458 5.610 40 30 EKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2ccccc2SC)c1C ZINC000408968529 563918260 /nfs/dbraw/zinc/91/82/60/563918260.db2.gz WSUJGDWLCPAHAT-HZHRSRAPSA-N 0 0 348.515 6.129 40 30 EKEBRN Cc1cc(C=NNc2ccccc2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408968589 564008410 /nfs/dbraw/zinc/00/84/10/564008410.db2.gz XQOVCSVCKBYFKF-LFVJCYFKSA-N 0 0 345.490 5.838 40 30 EKEBRN Cc1cc(/C=N\C2CCCCC2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408968604 563918288 /nfs/dbraw/zinc/91/82/88/563918288.db2.gz XUYJDCDCJJTWEV-JLPGSUDCSA-N 0 0 336.523 6.143 40 30 EKEBRN Cc1ccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1 ZINC000408973249 257884740 /nfs/dbraw/zinc/88/47/40/257884740.db2.gz ACTBTYYSTGLLCM-YDZHTSKRSA-N 0 0 342.354 5.730 40 30 EKEBRN Cc1ccccc1/C=N/c1oc(-c2ccco2)c(-c2ccco2)c1C#N ZINC000408973811 257884801 /nfs/dbraw/zinc/88/48/01/257884801.db2.gz BWPLOBKSTGQYQJ-YDZHTSKRSA-N 0 0 342.354 5.730 40 30 EKEBRN O=C(C=CNc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000408975524 563921972 /nfs/dbraw/zinc/92/19/72/563921972.db2.gz MLNAWJQSLNZZJC-BQYQJAHWSA-N 0 0 326.610 5.455 40 30 EKEBRN N#Cc1c(N)oc(-c2ccc(-c3ccccc3)cc2)c1-c1ccccc1 ZINC000408976299 563922575 /nfs/dbraw/zinc/92/25/75/563922575.db2.gz QKKKSFSOSZUWFO-UHFFFAOYSA-N 0 0 336.394 5.734 40 30 EKEBRN Cc1nc(N)c(C#N)c(-c2cccc3ccccc32)c1-c1ccccc1 ZINC000408976661 563922702 /nfs/dbraw/zinc/92/27/02/563922702.db2.gz BNSKDJGQXVWHSE-UHFFFAOYSA-N 0 0 335.410 5.161 40 30 EKEBRN N#Cc1c(/N=C/c2ccccc2)oc(-c2ccccc2)c1-c1ccco1 ZINC000408976743 564008534 /nfs/dbraw/zinc/00/85/34/564008534.db2.gz RXXFWUAETBDWLY-BUVRLJJBSA-N 0 0 338.366 5.829 40 30 EKEBRN N#Cc1c(N)ncc(-c2ccccc2)c1-c1cccc(Cl)c1Cl ZINC000408978314 563922881 /nfs/dbraw/zinc/92/28/81/563922881.db2.gz IAHQNXXOYNZXIP-UHFFFAOYSA-N 0 0 340.213 5.007 40 30 EKEBRN CCN(CC)c1ccc(/C=N/c2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000408978424 257883954 /nfs/dbraw/zinc/88/39/54/257883954.db2.gz ZSZHDIAXKPIQGX-XQNSMLJCSA-N 0 0 346.478 5.086 40 30 EKEBRN N#Cc1c(N)ncc(-c2ccccc2)c1-c1ccc(Cl)cc1Cl ZINC000408978789 563922842 /nfs/dbraw/zinc/92/28/42/563922842.db2.gz KFAFGRIWGQSMGW-UHFFFAOYSA-N 0 0 340.213 5.007 40 30 EKEBRN C(=N/c1nc(-c2ccc(C3CCCCC3)cc2)cs1)\c1ccccc1 ZINC000408979534 564008611 /nfs/dbraw/zinc/00/86/11/564008611.db2.gz RJRWFTFSCQFSMZ-HZHRSRAPSA-N 0 0 346.499 6.608 40 30 EKEBRN CCCCCCCCNC(=S)Nc1ccc2nc(C)sc2c1 ZINC000408979872 564008648 /nfs/dbraw/zinc/00/86/48/564008648.db2.gz SUAWWFIFEYMIPJ-UHFFFAOYSA-N 0 0 335.542 5.252 40 30 EKEBRN CCCOc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1OCC ZINC000408980187 564008658 /nfs/dbraw/zinc/00/86/58/564008658.db2.gz PSRHALMCFZJCJB-VZUCSPMQSA-N 0 0 344.838 5.424 40 30 EKEBRN O=C1c2ccccc2S/C1=C\c1ccc(Sc2ccccn2)o1 ZINC000408990268 257883721 /nfs/dbraw/zinc/88/37/21/257883721.db2.gz KDPQRXVCOZEKQT-PTNGSMBKSA-N 0 0 337.425 5.155 40 30 EKEBRN Cc1nn(-c2ccc(C)c(C)c2)c(C)c1C=NNc1ccc(C)cc1C ZINC000408994824 564008796 /nfs/dbraw/zinc/00/87/96/564008796.db2.gz JPVWYIKBORHVHQ-QRVIBDJDSA-N 0 0 346.478 5.169 40 30 EKEBRN Brc1ccc(/C=N/N(c2ccccc2)c2ccccc2)o1 ZINC000408994997 564008762 /nfs/dbraw/zinc/00/87/62/564008762.db2.gz KKDNPYQWUMHEKW-CPNJWEJPSA-N 0 0 341.208 5.214 40 30 EKEBRN C(=NN=c1ccc2ccccc2[nH]1)c1ccc(Sc2ccccc2)o1 ZINC000408995319 563931688 /nfs/dbraw/zinc/93/16/88/563931688.db2.gz MCSYHAVFEOEGTF-KGENOOAVSA-N 0 0 345.427 5.425 40 30 EKEBRN Cc1cccc(Cn2cc(C=NNc3ccccc3)c3ccccc32)c1 ZINC000408995498 564008717 /nfs/dbraw/zinc/00/87/17/564008717.db2.gz JRWPPPONLIKIKF-BUVRLJJBSA-N 0 0 339.442 5.444 40 30 EKEBRN Cc1nn(-c2ccc(C)cc2C)c(C)c1C=NNc1ccc(C)c(C)c1 ZINC000408995522 564008709 /nfs/dbraw/zinc/00/87/09/564008709.db2.gz AUHGGPOVMPXMMT-QRVIBDJDSA-N 0 0 346.478 5.169 40 30 EKEBRN Cc1nn(-c2ccc(C)c(C)c2)c(C)c1C=NNc1ccc(C)c(C)c1 ZINC000408997409 257883304 /nfs/dbraw/zinc/88/33/04/257883304.db2.gz OITVGGRGLYUCEE-QRVIBDJDSA-N 0 0 346.478 5.169 40 30 EKEBRN Cc1nn(-c2ccc(C)cc2C)c(C)c1C=NNc1ccc(C)cc1C ZINC000408999802 257883211 /nfs/dbraw/zinc/88/32/11/257883211.db2.gz SKGSCTMYCLZOML-QRVIBDJDSA-N 0 0 346.478 5.169 40 30 EKEBRN Cc1nn(-c2ccccc2)c(C)c1C=NNc1cccc2ccccc21 ZINC000409001904 564008813 /nfs/dbraw/zinc/00/88/13/564008813.db2.gz XRDHUZPBERHXRW-HZHRSRAPSA-N 0 0 340.430 5.088 40 30 EKEBRN Cc1nn(-c2cccc3ccccc32)c(C)c1C=NNc1ccccc1 ZINC000409002439 563931896 /nfs/dbraw/zinc/93/18/96/563931896.db2.gz ZYGSGPVYMFFODP-HAHDFKILSA-N 0 0 340.430 5.088 40 30 EKEBRN O=C1C=C(Nc2ccccc2C(F)(F)F)C[C@H](c2ccccc2)C1 ZINC000409003351 563931904 /nfs/dbraw/zinc/93/19/04/563931904.db2.gz SCHOSBORKULKNZ-AWEZNQCLSA-N 0 0 331.337 5.148 40 30 EKEBRN O=C1C=C(Nc2ccccc2C(F)(F)F)C[C@@H](c2ccccc2)C1 ZINC000409003353 563931898 /nfs/dbraw/zinc/93/18/98/563931898.db2.gz SCHOSBORKULKNZ-CQSZACIVSA-N 0 0 331.337 5.148 40 30 EKEBRN CCOc1ccc2ccc(OCC)c(C=NNc3ccccc3)c2c1 ZINC000409008274 564008829 /nfs/dbraw/zinc/00/88/29/564008829.db2.gz UYAKBFMKRISNRF-JCMHNJIXSA-N 0 0 334.419 5.083 40 30 EKEBRN CCOC(=O)c1ccc(/N=C/c2ccc(-c3cccc(F)c3)o2)cc1 ZINC000409008832 563932001 /nfs/dbraw/zinc/93/20/01/563932001.db2.gz LPCUHJHLQYGRRJ-LPYMAVHISA-N 0 0 337.350 5.013 40 30 EKEBRN CCCCOc1ccc2ccccc2c1/C=N\OCc1ccccc1 ZINC000409009035 564008960 /nfs/dbraw/zinc/00/89/60/564008960.db2.gz RGSHSALSLPCGMI-KQWNVCNZSA-N 0 0 333.431 5.569 40 30 EKEBRN COc1ccc(Cl)cc1/N=C/c1ccc(-c2cccc(F)c2)o1 ZINC000409009102 564008864 /nfs/dbraw/zinc/00/88/64/564008864.db2.gz BJMBWMGYRDQDAE-SRZZPIQSSA-N 0 0 329.758 5.498 40 30 EKEBRN CCOC(=O)c1cccc(/N=C\c2ccc(-c3cccc(F)c3)o2)c1 ZINC000409009233 563932016 /nfs/dbraw/zinc/93/20/16/563932016.db2.gz CFXUAZFXDUIZBK-XKZIYDEJSA-N 0 0 337.350 5.013 40 30 EKEBRN CC[C@H](C)Oc1ccc(/C=N\c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000409009389 563932077 /nfs/dbraw/zinc/93/20/77/563932077.db2.gz FDCVWMPJWDKOLW-XHEYCZLTSA-N 0 0 332.787 5.176 40 30 EKEBRN CC[C@@H](C)Oc1ccc(/C=N\c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000409009390 564008877 /nfs/dbraw/zinc/00/88/77/564008877.db2.gz FDCVWMPJWDKOLW-ZDFPAGSVSA-N 0 0 332.787 5.176 40 30 EKEBRN COc1cccc(/C=N\c2ccc(Cl)c(Cl)c2)c1OC(C)C ZINC000409009500 563932092 /nfs/dbraw/zinc/93/20/92/563932092.db2.gz ANPVJMWFHGEYGC-JMIUGGIZSA-N 0 0 338.234 5.540 40 30 EKEBRN CC[C@@H](C)c1ccc(/N=C/c2cccc(OC)c2OC(C)C)cc1 ZINC000409009566 257882811 /nfs/dbraw/zinc/88/28/11/257882811.db2.gz AYBPQBVIKXOTAE-CAUNFOBBSA-N 0 0 325.452 5.747 40 30 EKEBRN CC[C@H](C)c1ccc(/N=C/c2cccc(OC)c2OC(C)C)cc1 ZINC000409009569 564008868 /nfs/dbraw/zinc/00/88/68/564008868.db2.gz AYBPQBVIKXOTAE-SITPEIFSSA-N 0 0 325.452 5.747 40 30 EKEBRN COc1cccc(/C=N\c2ccc(C(C)(C)C)cc2)c1OC(C)C ZINC000409009573 257882845 /nfs/dbraw/zinc/88/28/45/257882845.db2.gz GHRORGOBYGQYPZ-HMAPJEAMSA-N 0 0 325.452 5.531 40 30 EKEBRN COc1cccc(/C=N\c2ccc(Cl)cc2Cl)c1OC(C)C ZINC000409009795 564008887 /nfs/dbraw/zinc/00/88/87/564008887.db2.gz IDXONJCFNJKVCK-JMIUGGIZSA-N 0 0 338.234 5.540 40 30 EKEBRN Fc1cccc(-c2ccc(/C=N/c3ccc(Br)cc3)o2)c1 ZINC000409009888 564008883 /nfs/dbraw/zinc/00/88/83/564008883.db2.gz CHYRHZNDEOAWKZ-RGVLZGJSSA-N 0 0 344.183 5.599 40 30 EKEBRN CC[C@@H](C)Oc1ccc(/C=N/c2cccc(Cl)c2C)cc1Cl ZINC000409010340 563932089 /nfs/dbraw/zinc/93/20/89/563932089.db2.gz JWVYYMXOSRZHCN-KIHMUJGBSA-N 0 0 336.262 6.230 40 30 EKEBRN CC[C@H](C)Oc1ccc(/C=N/c2cccc(Cl)c2C)cc1Cl ZINC000409010342 563932090 /nfs/dbraw/zinc/93/20/90/563932090.db2.gz JWVYYMXOSRZHCN-OVMKCGGTSA-N 0 0 336.262 6.230 40 30 EKEBRN CCOc1ccccc1/N=C\c1cccn1-c1ccc(C)c(Cl)c1 ZINC000409010369 564008866 /nfs/dbraw/zinc/00/88/66/564008866.db2.gz KDTZHXVWDXFAKE-HMAPJEAMSA-N 0 0 338.838 5.588 40 30 EKEBRN CC[C@H](C)Oc1ccc(/C=N\c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000409010375 564008862 /nfs/dbraw/zinc/00/88/62/564008862.db2.gz CJRCGSCRRNXKCJ-XHEYCZLTSA-N 0 0 332.787 5.176 40 30 EKEBRN CC[C@@H](C)Oc1ccc(/C=N\c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000409010376 563932098 /nfs/dbraw/zinc/93/20/98/563932098.db2.gz CJRCGSCRRNXKCJ-ZDFPAGSVSA-N 0 0 332.787 5.176 40 30 EKEBRN CC[C@@H](C)Oc1ccc(/C=N/c2ccc(C(C)C)cc2)cc1Cl ZINC000409010784 563932064 /nfs/dbraw/zinc/93/20/64/563932064.db2.gz LHLCNUPQMGGIKJ-IKMPRTQCSA-N 0 0 329.871 6.391 40 30 EKEBRN CC[C@H](C)Oc1ccc(/C=N/c2ccc(C(C)C)cc2)cc1Cl ZINC000409010785 563932072 /nfs/dbraw/zinc/93/20/72/563932072.db2.gz LHLCNUPQMGGIKJ-NSMHLIOHSA-N 0 0 329.871 6.391 40 30 EKEBRN CC(C)(C)c1cc(/C=N\OCc2ccccc2)cc(C(C)(C)C)c1O ZINC000409010896 564008908 /nfs/dbraw/zinc/00/89/08/564008908.db2.gz GDOYPTHMRNYFFD-UCQKPKSFSA-N 0 0 339.479 5.538 40 30 EKEBRN Cc1ccc(-n2cccc2/C=N\c2ccc(Cl)cc2O)cc1Cl ZINC000409011162 564008912 /nfs/dbraw/zinc/00/89/12/564008912.db2.gz MNQKJNGRXAEROR-NHDPSOOVSA-N 0 0 345.229 5.549 40 30 EKEBRN COc1ccc(/N=C/c2ccc(-c3cccc(F)c3)o2)cc1Cl ZINC000409011385 257882842 /nfs/dbraw/zinc/88/28/42/257882842.db2.gz GIQJOJKMECQUPX-SRZZPIQSSA-N 0 0 329.758 5.498 40 30 EKEBRN Cc1ccc(-n2cccc2/C=N/c2ccc(F)cc2F)cc1Cl ZINC000409011452 564008897 /nfs/dbraw/zinc/00/88/97/564008897.db2.gz NLJUFUOEPFIKJA-SSDVNMTOSA-N 0 0 330.765 5.468 40 30 EKEBRN Cc1ccc(-n2cccc2/C=N\c2ccc(Cl)cc2)cc1Cl ZINC000409011631 564008921 /nfs/dbraw/zinc/00/89/21/564008921.db2.gz OAPZHLQAKIAJJH-MTJSOVHGSA-N 0 0 329.230 5.843 40 30 EKEBRN COc1ccc(C/N=C\c2cccn2-c2ccc(C)c(Cl)c2)cc1 ZINC000409011896 257882984 /nfs/dbraw/zinc/88/29/84/257882984.db2.gz OYNYAAADSRFXBN-HMAPJEAMSA-N 0 0 338.838 5.067 40 30 EKEBRN Cc1ccc(/N=C/c2cccn2-c2ccc(C)c(Cl)c2)cc1Cl ZINC000409012353 564008909 /nfs/dbraw/zinc/00/89/09/564008909.db2.gz JHTQKMHUCYNXMX-WSDLNYQXSA-N 0 0 343.257 6.152 40 30 EKEBRN Cc1ccc(-n2cccc2/C=N\c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000409012653 257882785 /nfs/dbraw/zinc/88/27/85/257882785.db2.gz RCPMIJGHHGIRNG-NDENLUEZSA-N 0 0 339.782 5.098 40 30 EKEBRN CCN(CC)c1ccc(/N=C/c2cccc(OC)c2OC(C)C)cc1 ZINC000409012977 563932252 /nfs/dbraw/zinc/93/22/52/563932252.db2.gz SCAHMGHMYRNOGU-PXLXIMEGSA-N 0 0 340.467 5.079 40 30 EKEBRN Clc1ccc(Sc2ccc(/C=N/c3ccccc3)s2)cc1 ZINC000409013443 563932255 /nfs/dbraw/zinc/93/22/55/563932255.db2.gz AAYLCCZICAXZIY-XDHOZWIPSA-N 0 0 329.877 6.303 40 30 EKEBRN CCCCc1ccc(/N=C/c2ccc(O[C@H](C)CC)c(Cl)c2)cc1 ZINC000409013985 564008952 /nfs/dbraw/zinc/00/89/52/564008952.db2.gz OIXIAMDFNLZGRD-LGVXEURYSA-N 0 0 343.898 6.611 40 30 EKEBRN CCCCc1ccc(/N=C/c2ccc(O[C@@H](C)CC)c(Cl)c2)cc1 ZINC000409013987 257882346 /nfs/dbraw/zinc/88/23/46/257882346.db2.gz OIXIAMDFNLZGRD-PFRBSUFTSA-N 0 0 343.898 6.611 40 30 EKEBRN Fc1cccc(-c2ccc(/C=N/c3cccc(Br)c3)o2)c1 ZINC000409014117 257882428 /nfs/dbraw/zinc/88/24/28/257882428.db2.gz OYCSMQYIZWDBKH-RGVLZGJSSA-N 0 0 344.183 5.599 40 30 EKEBRN CC[C@H](C)Oc1ccc(/C=N\c2ccc(Cl)cc2O)cc1Cl ZINC000409014631 564008945 /nfs/dbraw/zinc/00/89/45/564008945.db2.gz XSILPJUUJYZGJJ-ASKIBSTCSA-N 0 0 338.234 5.627 40 30 EKEBRN CC[C@@H](C)Oc1ccc(/C=N\c2ccc(Cl)cc2O)cc1Cl ZINC000409014632 564008947 /nfs/dbraw/zinc/00/89/47/564008947.db2.gz XSILPJUUJYZGJJ-BPXUPMHTSA-N 0 0 338.234 5.627 40 30 EKEBRN Oc1ccc(-n2cccc2/C=N\c2ccc(Cl)c(Cl)c2)cc1 ZINC000409014860 564008975 /nfs/dbraw/zinc/00/89/75/564008975.db2.gz LSGSZABKXADWNE-JAIQZWGSSA-N 0 0 331.202 5.240 40 30 EKEBRN CCOc1cccc(/N=C\c2cccn2-c2ccc(C)c(Cl)c2)c1 ZINC000409015062 564008963 /nfs/dbraw/zinc/00/89/63/564008963.db2.gz ADEKWDQDKSHDTO-HMAPJEAMSA-N 0 0 338.838 5.588 40 30 EKEBRN CC[C@H](C)Oc1ccc(/C=N/c2ccccc2SC)cc1Cl ZINC000409015107 564008990 /nfs/dbraw/zinc/00/89/90/564008990.db2.gz YRGPKMQGQCGIBO-DZUMZMOTSA-N 0 0 333.884 5.990 40 30 EKEBRN CC[C@@H](C)Oc1ccc(/C=N/c2ccccc2SC)cc1Cl ZINC000409015110 564008992 /nfs/dbraw/zinc/00/89/92/564008992.db2.gz YRGPKMQGQCGIBO-HMHKGCENSA-N 0 0 333.884 5.990 40 30 EKEBRN Fc1ccccc1/N=C\c1cccn1-c1cccc(Br)c1 ZINC000409015187 257882594 /nfs/dbraw/zinc/88/25/94/257882594.db2.gz ATEYJGKPEPBLHU-NDENLUEZSA-N 0 0 343.199 5.130 40 30 EKEBRN Cc1ccc(-n2cccc2/C=N/c2cccc(Cl)c2)cc1Cl ZINC000409015310 564008980 /nfs/dbraw/zinc/00/89/80/564008980.db2.gz ZLPUFASDPMGCJH-CIAFOILYSA-N 0 0 329.230 5.843 40 30 EKEBRN COc1ccc(Cl)cc1/N=C/c1ccc(-c2ccc(C#N)cc2)o1 ZINC000409015412 563932284 /nfs/dbraw/zinc/93/22/84/563932284.db2.gz AFYUNZURSPKCKS-WSDLNYQXSA-N 0 0 336.778 5.231 40 30 EKEBRN CC[C@@H](C)c1ccc(/N=C/c2ccc(-c3ccc(C#N)cc3)o2)cc1 ZINC000409015534 517762871 /nfs/dbraw/zinc/76/28/71/517762871.db2.gz BUCQSOCWBVBFAU-DTVDJLOLSA-N 0 0 328.415 6.082 40 30 EKEBRN CC[C@H](C)c1ccc(/N=C/c2ccc(-c3ccc(C#N)cc3)o2)cc1 ZINC000409015537 563932464 /nfs/dbraw/zinc/93/24/64/563932464.db2.gz BUCQSOCWBVBFAU-WTJYETQFSA-N 0 0 328.415 6.082 40 30 EKEBRN Cc1ccc(-n2cccc2/C=N/c2ccc3ncccc3c2)cc1Cl ZINC000409015843 563932327 /nfs/dbraw/zinc/93/23/27/563932327.db2.gz BWOCADKJZWASCP-ZVHZXABRSA-N 0 0 345.833 5.738 40 30 EKEBRN Cc1ccc(-n2cccc2/C=N\c2ccc(N(C)C)cc2)cc1Cl ZINC000409015853 564008983 /nfs/dbraw/zinc/00/89/83/564008983.db2.gz BZYIJHVKBDKIRK-HMAPJEAMSA-N 0 0 337.854 5.256 40 30 EKEBRN CC[C@@H](C)Oc1ccc(/C=N/c2ccc(C(=O)OC)cc2)cc1Cl ZINC000409016164 564008976 /nfs/dbraw/zinc/00/89/76/564008976.db2.gz SPWXZUMADRKUEG-LNOXHEFASA-N 0 0 345.826 5.055 40 30 EKEBRN CC[C@H](C)Oc1ccc(/C=N/c2ccc(C(=O)OC)cc2)cc1Cl ZINC000409016165 563932438 /nfs/dbraw/zinc/93/24/38/563932438.db2.gz SPWXZUMADRKUEG-XMOVILSBSA-N 0 0 345.826 5.055 40 30 EKEBRN CCOc1ccccc1/N=C\c1ccc(O[C@@H](C)CC)c(Cl)c1 ZINC000409016305 563932443 /nfs/dbraw/zinc/93/24/43/563932443.db2.gz TUEQYHZVDJVYDP-DTHVTWRFSA-N 0 0 331.843 5.667 40 30 EKEBRN CCOc1ccccc1/N=C\c1ccc(O[C@H](C)CC)c(Cl)c1 ZINC000409016307 563932458 /nfs/dbraw/zinc/93/24/58/563932458.db2.gz TUEQYHZVDJVYDP-SFDYMUJDSA-N 0 0 331.843 5.667 40 30 EKEBRN Cc1ccccc1/N=C\c1ccc(Sc2ccc(Cl)cc2)s1 ZINC000409016685 564008965 /nfs/dbraw/zinc/00/89/65/564008965.db2.gz GMSOLANQZCTZIP-NDENLUEZSA-N 0 0 343.904 6.612 40 30 EKEBRN Cc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)cc1 ZINC000409016912 257882665 /nfs/dbraw/zinc/88/26/65/257882665.db2.gz LPFFFDLNTZWRBJ-UDWIEESQSA-N 0 0 343.904 6.612 40 30 EKEBRN Fc1cccc(-c2ccc(/C=N\c3ccc(Cl)cc3Cl)o2)c1 ZINC000409017665 257882309 /nfs/dbraw/zinc/88/23/09/257882309.db2.gz VLXNUGIQYIIDJK-FBHDLOMBSA-N 0 0 334.177 6.143 40 30 EKEBRN CCCCc1ccc(/N=C/c2cccc(OC)c2OC(C)C)cc1 ZINC000409017695 257882350 /nfs/dbraw/zinc/88/23/50/257882350.db2.gz VQAQYIZLOUDSBO-PXLXIMEGSA-N 0 0 325.452 5.576 40 30 EKEBRN Cc1ccc(/N=C/c2cccn2-c2cccc(Br)c2)cc1 ZINC000409017822 257882356 /nfs/dbraw/zinc/88/23/56/257882356.db2.gz VXKWKFGWMUYOOR-DEDYPNTBSA-N 0 0 339.236 5.299 40 30 EKEBRN CC[C@H](C)Oc1ccc(/C=N/c2cc(Cl)ccc2C)cc1Cl ZINC000409018201 564008941 /nfs/dbraw/zinc/00/89/41/564008941.db2.gz YLXPUNPZIYOTAB-PUFAJPFRSA-N 0 0 336.262 6.230 40 30 EKEBRN Fc1cccc(-c2ccc(/C=N\c3ccc(Cl)c(Cl)c3)o2)c1 ZINC000409018467 564008924 /nfs/dbraw/zinc/00/89/24/564008924.db2.gz HLPJTFZBQYXXNF-FBHDLOMBSA-N 0 0 334.177 6.143 40 30 EKEBRN CC[C@@H](C)Oc1ccc(/C=N/c2cc(Cl)ccc2C)cc1Cl ZINC000409018691 563932564 /nfs/dbraw/zinc/93/25/64/563932564.db2.gz YLXPUNPZIYOTAB-SRRANQMSSA-N 0 0 336.262 6.230 40 30 EKEBRN N#Cc1ccc(-c2ccc(/C=N\c3cccc(Cl)c3Cl)o2)cc1 ZINC000409019209 257882358 /nfs/dbraw/zinc/88/23/58/257882358.db2.gz ZMMWZQQGTCVOBU-JJFYIABZSA-N 0 0 341.197 5.876 40 30 EKEBRN Cc1ccc(-n2cccc2/C=N\c2ccc3ccccc3c2)cc1Cl ZINC000409019711 564009032 /nfs/dbraw/zinc/00/90/32/564009032.db2.gz KHFROGPAHAIMGR-IWIPYMOSSA-N 0 0 344.845 6.343 40 30 EKEBRN Fc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)cc1 ZINC000409019713 257882528 /nfs/dbraw/zinc/88/25/28/257882528.db2.gz WTODCYZTLZELAG-RGVLZGJSSA-N 0 0 347.867 6.442 40 30 EKEBRN Cc1ccc(-n2cccc2/C=N\c2ccccc2Cl)cc1Cl ZINC000409020748 257882629 /nfs/dbraw/zinc/88/26/29/257882629.db2.gz STTIDZKYSKGIKU-MTJSOVHGSA-N 0 0 329.230 5.843 40 30 EKEBRN Cc1ccc(-n2cccc2/C=N/c2ccc(F)c(C)c2)cc1Cl ZINC000409020777 257882319 /nfs/dbraw/zinc/88/23/19/257882319.db2.gz TWNVTQUSCOVPGQ-WSDLNYQXSA-N 0 0 326.802 5.637 40 30 EKEBRN CC[C@H](C)Oc1ccc(/C=N\c2cccc(C(=O)OC)c2)cc1Cl ZINC000409020842 257882387 /nfs/dbraw/zinc/88/23/87/257882387.db2.gz UQFDTRDBKMCFHS-KUARTLJMSA-N 0 0 345.826 5.055 40 30 EKEBRN CC[C@@H](C)Oc1ccc(/C=N\c2cccc(C(=O)OC)c2)cc1Cl ZINC000409020843 257882398 /nfs/dbraw/zinc/88/23/98/257882398.db2.gz UQFDTRDBKMCFHS-MUBJSKCLSA-N 0 0 345.826 5.055 40 30 EKEBRN Fc1ccc(/N=C/c2cccn2-c2cccc(Br)c2)cc1 ZINC000409020918 563932515 /nfs/dbraw/zinc/93/25/15/563932515.db2.gz VROBXKIBALZGGJ-UDWIEESQSA-N 0 0 343.199 5.130 40 30 EKEBRN CC[C@H](C)Oc1ccc(/C=N\c2ccc3ccccc3c2)cc1Cl ZINC000409021231 564009016 /nfs/dbraw/zinc/00/90/16/564009016.db2.gz ZHZXXDJTCVQIEZ-DZIKBWIISA-N 0 0 337.850 6.421 40 30 EKEBRN CC[C@@H](C)Oc1ccc(/C=N\c2ccc3ccccc3c2)cc1Cl ZINC000409021232 563932555 /nfs/dbraw/zinc/93/25/55/563932555.db2.gz ZHZXXDJTCVQIEZ-JNCAFBRLSA-N 0 0 337.850 6.421 40 30 EKEBRN COc1ccc(/N=C/c2ccc(-c3ccc(C#N)cc3)o2)cc1Cl ZINC000409022262 257882290 /nfs/dbraw/zinc/88/22/90/257882290.db2.gz LOMBLKCTHJXDRX-WSDLNYQXSA-N 0 0 336.778 5.231 40 30 EKEBRN Cc1cccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)s2)c1 ZINC000409022400 257882672 /nfs/dbraw/zinc/88/26/72/257882672.db2.gz NBJLAGFJXFZBNZ-NDENLUEZSA-N 0 0 343.904 6.612 40 30 EKEBRN Oc1ccc(-n2cccc2/C=N\c2cccc(Cl)c2Cl)cc1 ZINC000409022925 564009014 /nfs/dbraw/zinc/00/90/14/564009014.db2.gz WNKCZTKWSYHSQO-JAIQZWGSSA-N 0 0 331.202 5.240 40 30 EKEBRN Fc1cccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)c1 ZINC000409023225 563932503 /nfs/dbraw/zinc/93/25/03/563932503.db2.gz VGHOEZNTDHFMJV-RGVLZGJSSA-N 0 0 347.867 6.442 40 30 EKEBRN N#Cc1ccc(-c2ccc(/C=N\c3ccc(Cl)cc3Cl)o2)cc1 ZINC000409023580 564009055 /nfs/dbraw/zinc/00/90/55/564009055.db2.gz HKUSNMRSVHSTRL-JJFYIABZSA-N 0 0 341.197 5.876 40 30 EKEBRN Oc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)cc1 ZINC000409023620 564009033 /nfs/dbraw/zinc/00/90/33/564009033.db2.gz IZBYEIIVVFEYTC-YBFXNURJSA-N 0 0 345.876 6.009 40 30 EKEBRN Oc1ccccc1/N=C\c1ccc(Sc2ccc(Cl)cc2)s1 ZINC000409023940 563932620 /nfs/dbraw/zinc/93/26/20/563932620.db2.gz NXLUKLDNDPTBDT-ODLFYWEKSA-N 0 0 345.876 6.009 40 30 EKEBRN O/N=C/c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409039297 564009137 /nfs/dbraw/zinc/00/91/37/564009137.db2.gz CHGGARSJGQYYSU-UFFVCSGVSA-N 0 0 346.213 5.534 40 30 EKEBRN COc1ccc2c(c1)Cc1sc(/N=C\c3ccc(C(C)C)cc3)nc1-2 ZINC000409042982 257881928 /nfs/dbraw/zinc/88/19/28/257881928.db2.gz OURSWRUOHVSLMY-UUYOSTAYSA-N 0 0 348.471 5.597 40 30 EKEBRN CCOc1c(Cl)cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000409043440 257881991 /nfs/dbraw/zinc/88/19/91/257881991.db2.gz QUHRYHPZJUHANX-GIJQJNRQSA-N 0 0 339.178 5.051 40 30 EKEBRN O/N=C/c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000409045357 257881849 /nfs/dbraw/zinc/88/18/49/257881849.db2.gz GMGHIGIWHWOIJM-CNHKJKLMSA-N 0 0 330.598 5.034 40 30 EKEBRN COc1ccc2c(c1)Cc1sc(/N=C\c3ccc(Cl)cc3)nc1-2 ZINC000409045815 564009152 /nfs/dbraw/zinc/00/91/52/564009152.db2.gz IEOHWPIWRODLHH-JMIUGGIZSA-N 0 0 340.835 5.127 40 30 EKEBRN COc1ccc2c(c1)Cc1sc(/N=C\c3ccccc3Cl)nc1-2 ZINC000409047723 563936487 /nfs/dbraw/zinc/93/64/87/563936487.db2.gz PFHGEELVIGQRPU-JMIUGGIZSA-N 0 0 340.835 5.127 40 30 EKEBRN Cc1[nH]c2c(cccc2C)c1/C=N/CCNc1cccc2ccccc21 ZINC000409048396 564009184 /nfs/dbraw/zinc/00/91/84/564009184.db2.gz OLAAFZYRQBGORZ-BUVRLJJBSA-N 0 0 341.458 5.469 40 30 EKEBRN Cc1[nH]c2ccc(C)cc2c1/C=N/CCNc1cccc2ccccc21 ZINC000409048404 563936582 /nfs/dbraw/zinc/93/65/82/563936582.db2.gz WKZBNPIVCOSVTG-BUVRLJJBSA-N 0 0 341.458 5.469 40 30 EKEBRN O/N=C/c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409049437 564009189 /nfs/dbraw/zinc/00/91/89/564009189.db2.gz WVWTVEUAFWKNAO-CNHKJKLMSA-N 0 0 330.598 5.034 40 30 EKEBRN Cc1sc(N=NC(C)c2ccc(F)cc2)nc1-c1ccccc1 ZINC000409051301 564009231 /nfs/dbraw/zinc/00/92/31/564009231.db2.gz KLYQCGRKESITOA-CIAFOILYSA-N 0 0 325.412 5.094 40 30 EKEBRN Cc1nc(N=NC(C)c2ccc(C3CCCCC3)cc2)sc1C ZINC000409051387 564009226 /nfs/dbraw/zinc/00/92/26/564009226.db2.gz LLQCBSIWLBLQQR-STZFKDTASA-N 0 0 327.497 5.644 40 30 EKEBRN C=CCOc1ccc(C(C)N=Nc2nc(-c3ccccc3)cs2)cc1 ZINC000409051930 564009240 /nfs/dbraw/zinc/00/92/40/564009240.db2.gz DRQCZRGXJLSWGC-PXLXIMEGSA-N 0 0 349.459 5.211 40 30 EKEBRN CC(=CCc1ccccc1)N=Nc1nc(-c2ccccc2)c(C)s1 ZINC000409052477 564009154 /nfs/dbraw/zinc/00/91/54/564009154.db2.gz HYJSUUDJKSCWNK-NHRABQJNSA-N 0 0 333.460 5.620 40 30 EKEBRN CCCCCCCOc1ccc(CN=Nc2nc(C)cs2)cc1 ZINC000409052799 564009167 /nfs/dbraw/zinc/00/91/67/564009167.db2.gz IFSGMWMNRWWXEA-CPNJWEJPSA-N 0 0 331.485 5.247 40 30 EKEBRN O=C(C=CNc1ccc(F)cc1F)c1ccc(Cl)cc1Cl ZINC000409052818 564009164 /nfs/dbraw/zinc/00/91/64/564009164.db2.gz IICNQZNPOFIJFY-AATRIKPKSA-N 0 0 328.145 5.080 40 30 EKEBRN O/N=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409053332 563937431 /nfs/dbraw/zinc/93/74/31/563937431.db2.gz BXXBUNZOKNBGSW-CNHKJKLMSA-N 0 0 330.598 5.034 40 30 EKEBRN O/N=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl ZINC000409053347 257881469 /nfs/dbraw/zinc/88/14/69/257881469.db2.gz CARFAAJGCPZUMG-CNHKJKLMSA-N 0 0 330.598 5.034 40 30 EKEBRN Oc1c(/C=N/c2ccccc2Oc2ccccc2)ccc2ccccc21 ZINC000409053602 257881347 /nfs/dbraw/zinc/88/13/47/257881347.db2.gz GLQFUNZUDSNIKL-LFVJCYFKSA-N 0 0 339.394 6.088 40 30 EKEBRN CC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(F)cc1 ZINC000409053614 257881337 /nfs/dbraw/zinc/88/13/37/257881337.db2.gz NPKFAKWHXBMCJV-SRZZPIQSSA-N 0 0 345.830 5.439 40 30 EKEBRN O=C(C=CNc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1 ZINC000409054515 563937436 /nfs/dbraw/zinc/93/74/36/563937436.db2.gz BABTWORQIMEIKV-BQYQJAHWSA-N 0 0 326.610 5.455 40 30 EKEBRN Cc1ccc(-c2csc(N=NC(C)c3ccc(F)cc3)n2)cc1 ZINC000409054599 257881426 /nfs/dbraw/zinc/88/14/26/257881426.db2.gz TXLLWJJUXHGSIV-FYJGNVAPSA-N 0 0 325.412 5.094 40 30 EKEBRN CCc1ccc(C(C)N=Nc2nc(-c3ccccc3)c(C)s2)cc1 ZINC000409054698 564009302 /nfs/dbraw/zinc/00/93/02/564009302.db2.gz VQCPSZZPNYIIFT-HYARGMPZSA-N 0 0 335.476 5.517 40 30 EKEBRN CC(=CCc1ccccc1)N=Nc1nc(-c2ccc(C)cc2)cs1 ZINC000409055499 257881298 /nfs/dbraw/zinc/88/12/98/257881298.db2.gz ZACKZNVCFMQPPO-YYMYKZPXSA-N 0 0 333.460 5.620 40 30 EKEBRN CC(=CCc1ccccc1F)N=Nc1nc(-c2ccccc2)cs1 ZINC000409055553 563937528 /nfs/dbraw/zinc/93/75/28/563937528.db2.gz ZIRMWPUBSQQYIA-DVBYBJGBSA-N 0 0 337.423 5.450 40 30 EKEBRN CCc1ccccc1NC=CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000409056786 564009261 /nfs/dbraw/zinc/00/92/61/564009261.db2.gz NVEFHKZXHQQMQO-WUKNDPDISA-N 0 0 327.427 5.725 40 30 EKEBRN O=C(C=CNc1ccc(F)cc1F)c1ccc(-c2ccccc2)cc1 ZINC000409056943 257881527 /nfs/dbraw/zinc/88/15/27/257881527.db2.gz FMIVQELRXRCGDA-OUKQBFOZSA-N 0 0 335.353 5.440 40 30 EKEBRN CC(=CC(=O)c1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl ZINC000409057183 563937095 /nfs/dbraw/zinc/93/70/95/563937095.db2.gz UTGCJCSGSOIMRC-CSKARUKUSA-N 0 0 340.637 5.845 40 30 EKEBRN CCc1ccc(NC=CC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000409057268 564009253 /nfs/dbraw/zinc/00/92/53/564009253.db2.gz JLLLNVQTKBODMO-WUKNDPDISA-N 0 0 327.427 5.725 40 30 EKEBRN O=C(C=CNc1ccccc1Oc1ccccc1)c1ccc(Cl)cc1 ZINC000409057613 257881296 /nfs/dbraw/zinc/88/12/96/257881296.db2.gz HPSGWSXTMJFFQV-CCEZHUSRSA-N 0 0 349.817 5.941 40 30 EKEBRN CC(C)c1ccc(NC=CC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000409057906 563937107 /nfs/dbraw/zinc/93/71/07/563937107.db2.gz MVMARYWDIVNZMH-WUKNDPDISA-N 0 0 341.454 6.286 40 30 EKEBRN O=C(C=CNc1ccc(F)c(F)c1)c1ccc(Cl)cc1Cl ZINC000409058892 563937141 /nfs/dbraw/zinc/93/71/41/563937141.db2.gz ZFRBWIONQLLYQR-AATRIKPKSA-N 0 0 328.145 5.080 40 30 EKEBRN CCOc1c(Cl)cc(Cl)cc1/C=N/c1ccc([N+](=O)[O-])cc1 ZINC000409059204 564009246 /nfs/dbraw/zinc/00/92/46/564009246.db2.gz VIQCIOLOYINBNZ-GIJQJNRQSA-N 0 0 339.178 5.051 40 30 EKEBRN CC(C)c1ccc(NC=CC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000409059593 257881542 /nfs/dbraw/zinc/88/15/42/257881542.db2.gz QXXCJUKQJWJLAB-MDZDMXLPSA-N 0 0 334.246 5.925 40 30 EKEBRN O=C(C=CNc1ccccc1Oc1ccccc1)c1ccc(F)cc1 ZINC000409059598 257881564 /nfs/dbraw/zinc/88/15/64/257881564.db2.gz QYJSOBDCLTULPA-CCEZHUSRSA-N 0 0 333.362 5.427 40 30 EKEBRN CN(C)c1ccc(NC=CC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000409060986 564009409 /nfs/dbraw/zinc/00/94/09/564009409.db2.gz BCQPDXRCWAUYHY-WUKNDPDISA-N 0 0 342.442 5.228 40 30 EKEBRN COc1ccc(C)cc1NC=CC(=O)c1ccc(Cl)cc1Cl ZINC000409061651 563937569 /nfs/dbraw/zinc/93/75/69/563937569.db2.gz ZAHTUFCSNUJEPP-BQYQJAHWSA-N 0 0 336.218 5.119 40 30 EKEBRN CC(C)c1ccc(NC=CC(=O)c2cccc(Br)c2)cc1 ZINC000409061805 564009317 /nfs/dbraw/zinc/00/93/17/564009317.db2.gz IJSKWEOJDCBNEM-ZHACJKMWSA-N 0 0 344.252 5.381 40 30 EKEBRN COc1cccc(C(=O)C=CNc2ccccc2Oc2ccccc2)c1 ZINC000409061892 563937563 /nfs/dbraw/zinc/93/75/63/563937563.db2.gz JQZNULFWWPZKIE-CCEZHUSRSA-N 0 0 345.398 5.296 40 30 EKEBRN N#Cc1c2c(sc1/N=C\c1ccc(-c3ccccc3)o1)CCCC2 ZINC000409064187 257881027 /nfs/dbraw/zinc/88/10/27/257881027.db2.gz OGMGGUUXBKSGIW-XKZIYDEJSA-N 0 0 332.428 5.509 40 30 EKEBRN Cc1ccc(C(=O)C=CNc2ccccc2Oc2ccccc2)cc1 ZINC000409067046 563939338 /nfs/dbraw/zinc/93/93/38/563939338.db2.gz IYRPNSWPUZBYTI-FOCLMDBBSA-N 0 0 329.399 5.596 40 30 EKEBRN Fc1ccccc1/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409067936 564009349 /nfs/dbraw/zinc/00/93/49/564009349.db2.gz RLSVBYZXIPRUJO-XKZIYDEJSA-N 0 0 341.838 6.381 40 30 EKEBRN CCn1c(C)cc(/C=N/c2ccc(Oc3ccc(C)cc3)cc2)c1C ZINC000409068020 564009354 /nfs/dbraw/zinc/00/93/54/564009354.db2.gz GXUYNZZZQHTABE-HZHRSRAPSA-N 0 0 332.447 5.976 40 30 EKEBRN Fc1cc(/C=N\c2ccc(Cl)cc2Cl)ccc1N1CCCC1 ZINC000409069600 563941793 /nfs/dbraw/zinc/94/17/93/563941793.db2.gz WFPVFTOVLYFAPI-NHDPSOOVSA-N 0 0 337.225 5.483 40 30 EKEBRN Fc1cc(/C=N/c2ccc(-c3ccccc3)cc2)ccc1N1CCCC1 ZINC000409070447 564009467 /nfs/dbraw/zinc/00/94/67/564009467.db2.gz XSMGZEKGXBCOHV-KOEQRZSOSA-N 0 0 344.433 5.844 40 30 EKEBRN Oc1ccc2ccccc2c1/C=N/c1ccccc1Oc1ccccc1 ZINC000409072782 563940829 /nfs/dbraw/zinc/94/08/29/563940829.db2.gz SKVFKZDICRAOPZ-LFVJCYFKSA-N 0 0 339.394 6.088 40 30 EKEBRN Cc1cccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)c1 ZINC000409073199 563940980 /nfs/dbraw/zinc/94/09/80/563940980.db2.gz VKFFEJJWNYFYLZ-HMAPJEAMSA-N 0 0 337.875 6.550 40 30 EKEBRN CCn1c(C)cc(/C=N/c2ccc(Oc3ccccc3C)cc2)c1C ZINC000409074151 564009514 /nfs/dbraw/zinc/00/95/14/564009514.db2.gz SFRNLHFKGOJQAS-HZHRSRAPSA-N 0 0 332.447 5.976 40 30 EKEBRN CCCCCCCOc1ccccc1CN=Nc1nc(C)cs1 ZINC000409074552 563940959 /nfs/dbraw/zinc/94/09/59/563940959.db2.gz VIDQUFOHSCSSOB-CPNJWEJPSA-N 0 0 331.485 5.247 40 30 EKEBRN COc1ccc(C(=O)C=CNc2ccccc2Oc2ccccc2)cc1 ZINC000409075280 257880683 /nfs/dbraw/zinc/88/06/83/257880683.db2.gz YIXYMIFCQZPGHI-FOCLMDBBSA-N 0 0 345.398 5.296 40 30 EKEBRN O=C(C=CNc1ccc(N=Nc2ccccc2)cc1)c1ccc(F)cc1 ZINC000409075292 257880681 /nfs/dbraw/zinc/88/06/81/257880681.db2.gz YMMKUDXKUJITDI-OZKVFTRCSA-N 0 0 345.377 6.050 40 30 EKEBRN Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N\c1ccccc1F ZINC000409076355 564009423 /nfs/dbraw/zinc/00/94/23/564009423.db2.gz AYCDBRYVZKYATM-QFEZKATASA-N 0 0 349.449 5.750 40 30 EKEBRN Oc1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 ZINC000409076799 564009463 /nfs/dbraw/zinc/00/94/63/564009463.db2.gz CHRZIAYKYNBGPR-ZVHZXABRSA-N 0 0 347.458 5.316 40 30 EKEBRN Cc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)o1 ZINC000409076822 563942545 /nfs/dbraw/zinc/94/25/45/563942545.db2.gz CKQNPPXYTUZFDP-PUFAJPFRSA-N 0 0 326.465 5.423 40 30 EKEBRN Cc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)o1 ZINC000409076826 563942516 /nfs/dbraw/zinc/94/25/16/563942516.db2.gz CKQNPPXYTUZFDP-SRRANQMSSA-N 0 0 326.465 5.423 40 30 EKEBRN Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C=NNc1ccccc1 ZINC000409076995 563942713 /nfs/dbraw/zinc/94/27/13/563942713.db2.gz CEEVZMGFBAJJGB-IWIPYMOSSA-N 0 0 346.474 5.306 40 30 EKEBRN Oc1cccc(/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c1 ZINC000409077227 257880461 /nfs/dbraw/zinc/88/04/61/257880461.db2.gz CXGZPMMOTRXOMA-OYKKKHCWSA-N 0 0 347.458 5.316 40 30 EKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3cccc(O)c3)sc2C1 ZINC000409077498 564009450 /nfs/dbraw/zinc/00/94/50/564009450.db2.gz FAVOIRNADSYGDT-LVCXCXRVSA-N 0 0 338.476 5.227 40 30 EKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3cccc(O)c3)sc2C1 ZINC000409077502 563943242 /nfs/dbraw/zinc/94/32/42/563943242.db2.gz FAVOIRNADSYGDT-OFJBCHTGSA-N 0 0 338.476 5.227 40 30 EKEBRN Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N\c1ccccc1O ZINC000409078427 563944931 /nfs/dbraw/zinc/94/49/31/563944931.db2.gz CSYKQOPPBAVRGR-OYKKKHCWSA-N 0 0 347.458 5.316 40 30 EKEBRN Cc1cccc(/N=C\c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c1 ZINC000409078496 563944948 /nfs/dbraw/zinc/94/49/48/563944948.db2.gz IAVFTQYNBWZQQZ-MYYYXRDXSA-N 0 0 345.486 5.919 40 30 EKEBRN Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/c1cccc(F)c1 ZINC000409078642 564009560 /nfs/dbraw/zinc/00/95/60/564009560.db2.gz IZRZNTJEWZMUDH-AFUMVMLFSA-N 0 0 349.449 5.750 40 30 EKEBRN Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/c1cccnc1 ZINC000409079626 564009595 /nfs/dbraw/zinc/00/95/95/564009595.db2.gz LHTFJKAFQXEEKK-ZMOGYAJESA-N 0 0 332.447 5.006 40 30 EKEBRN Cc1oc(/N=C/c2ccc(OC(C)C)cc2OC(C)C)c(C#N)c1C ZINC000409079885 564009526 /nfs/dbraw/zinc/00/95/26/564009526.db2.gz CBBUHCLRZICBKQ-SSDVNMTOSA-N 0 0 340.423 5.093 40 30 EKEBRN Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/c1ccccc1 ZINC000409080762 564009527 /nfs/dbraw/zinc/00/95/27/564009527.db2.gz ODAZJTCGFFTQCF-BUVRLJJBSA-N 0 0 331.459 5.611 40 30 EKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(O)cc3)sc2C1 ZINC000409080894 563945356 /nfs/dbraw/zinc/94/53/56/563945356.db2.gz OIUUHZIBNUPIDK-LVCXCXRVSA-N 0 0 338.476 5.227 40 30 EKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(O)cc3)sc2C1 ZINC000409080896 564009509 /nfs/dbraw/zinc/00/95/09/564009509.db2.gz OIUUHZIBNUPIDK-OFJBCHTGSA-N 0 0 338.476 5.227 40 30 EKEBRN Cc1ccccc1/N=C\c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O ZINC000409081116 563945481 /nfs/dbraw/zinc/94/54/81/563945481.db2.gz JSBZRNXQUVRMOS-MYYYXRDXSA-N 0 0 345.486 5.919 40 30 EKEBRN Cc1ccsc1/C=N/c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000409081858 564009513 /nfs/dbraw/zinc/00/95/13/564009513.db2.gz IDUGDHYGYMRYAX-PUFAJPFRSA-N 0 0 342.533 5.891 40 30 EKEBRN Cc1ccsc1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000409081862 257880686 /nfs/dbraw/zinc/88/06/86/257880686.db2.gz IDUGDHYGYMRYAX-SRRANQMSSA-N 0 0 342.533 5.891 40 30 EKEBRN Cc1oc(/N=C/c2c(OC(C)C)ccc3ccccc32)c(C#N)c1C ZINC000409081916 564009517 /nfs/dbraw/zinc/00/95/17/564009517.db2.gz IHPSSHFMTUSFQB-FSJBWODESA-N 0 0 332.403 5.459 40 30 EKEBRN CCCOc1ccc2ccccc2c1/C=N/c1oc(C)c(C)c1C#N ZINC000409082331 563946722 /nfs/dbraw/zinc/94/67/22/563946722.db2.gz IXWRPSGTWMNSEC-YDZHTSKRSA-N 0 0 332.403 5.461 40 30 EKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccccc3O)sc2C1 ZINC000409083070 563946688 /nfs/dbraw/zinc/94/66/88/563946688.db2.gz UPWTYEMBKKXAPT-LVCXCXRVSA-N 0 0 338.476 5.227 40 30 EKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccccc3O)sc2C1 ZINC000409083074 564009524 /nfs/dbraw/zinc/00/95/24/564009524.db2.gz UPWTYEMBKKXAPT-OFJBCHTGSA-N 0 0 338.476 5.227 40 30 EKEBRN Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/Cc1ccccc1 ZINC000409085451 564009574 /nfs/dbraw/zinc/00/95/74/564009574.db2.gz SGBQYXOLEUEYGP-PCLIKHOPSA-N 0 0 345.486 5.479 40 30 EKEBRN Cc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000409085728 563946948 /nfs/dbraw/zinc/94/69/48/563946948.db2.gz ZTXJWFPFAMWDAW-DXRSZSRVSA-N 0 0 336.504 5.830 40 30 EKEBRN Cc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000409085731 257880356 /nfs/dbraw/zinc/88/03/56/257880356.db2.gz ZTXJWFPFAMWDAW-OHHQFBAHSA-N 0 0 336.504 5.830 40 30 EKEBRN Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N\C1CCCCC1 ZINC000409085780 563946970 /nfs/dbraw/zinc/94/69/70/563946970.db2.gz ZGIHFEZJNSKFCA-IWIPYMOSSA-N 0 0 337.507 5.612 40 30 EKEBRN Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/c1ccc(F)cc1 ZINC000409086040 563946931 /nfs/dbraw/zinc/94/69/31/563946931.db2.gz YBWVXXMGJWZWSZ-AFUMVMLFSA-N 0 0 349.449 5.750 40 30 EKEBRN Fc1cc(/C=N\c2cccc(Cl)c2Cl)ccc1N1CCCC1 ZINC000409087000 563947089 /nfs/dbraw/zinc/94/70/89/563947089.db2.gz IGXLZULRRBNLRW-NHDPSOOVSA-N 0 0 337.225 5.483 40 30 EKEBRN CCc1ccc(C(=O)C=CNc2ccccc2Oc2ccccc2)cc1 ZINC000409088917 563947177 /nfs/dbraw/zinc/94/71/77/563947177.db2.gz MHRNLUSGFIWXDD-WUKNDPDISA-N 0 0 343.426 5.850 40 30 EKEBRN CCOc1ccc(Cl)cc1/C=N/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000409089053 564009721 /nfs/dbraw/zinc/00/97/21/564009721.db2.gz MSROIGMWULQHMS-GIJQJNRQSA-N 0 0 339.178 5.051 40 30 EKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(F)cc3)sc2C1 ZINC000409090813 564009773 /nfs/dbraw/zinc/00/97/73/564009773.db2.gz QKHMDGPEKXYWQY-CHOFVFFHSA-N 0 0 340.467 5.660 40 30 EKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(F)cc3)sc2C1 ZINC000409090814 564009775 /nfs/dbraw/zinc/00/97/75/564009775.db2.gz QKHMDGPEKXYWQY-XMTZNVEYSA-N 0 0 340.467 5.660 40 30 EKEBRN Fc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 ZINC000409091470 257880028 /nfs/dbraw/zinc/88/00/28/257880028.db2.gz USBJQIADKLDMAY-LPYMAVHISA-N 0 0 341.838 6.381 40 30 EKEBRN CCn1c(C)cc(/C=N/c2ccc(Br)c(Cl)c2)c1C ZINC000409092016 563947384 /nfs/dbraw/zinc/94/73/84/563947384.db2.gz WWEPJUPHKUIJAQ-GIJQJNRQSA-N 0 0 339.664 5.291 40 30 EKEBRN Cc1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 ZINC000409093226 563947485 /nfs/dbraw/zinc/94/74/85/563947485.db2.gz YGBZWNCUYHGELN-MFKUBSTISA-N 0 0 345.486 5.919 40 30 EKEBRN C=CCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(F)cc1 ZINC000409093634 564009623 /nfs/dbraw/zinc/00/96/23/564009623.db2.gz BKPCHXKATRQQBD-UHFFFAOYSA-N 0 0 345.830 5.005 40 30 EKEBRN CCn1c(C)cc(/C=N/c2ccc(Oc3cccc(OC)c3)cc2)c1C ZINC000409093789 563947508 /nfs/dbraw/zinc/94/75/08/563947508.db2.gz BOPFTCYJRZBBIR-HZHRSRAPSA-N 0 0 348.446 5.676 40 30 EKEBRN COc1cccc(Oc2ccc(NC=CC(=O)c3ccccc3)cc2)c1 ZINC000409093829 564009597 /nfs/dbraw/zinc/00/95/97/564009597.db2.gz APAOMHSVZGVYNW-CCEZHUSRSA-N 0 0 345.398 5.296 40 30 EKEBRN Oc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 ZINC000409094983 257879833 /nfs/dbraw/zinc/87/98/33/257879833.db2.gz GQOVFQWGWKLNOR-FYJGNVAPSA-N 0 0 339.847 5.947 40 30 EKEBRN CCn1c(C)cc(/C=N/c2ccc(Oc3ccc(OC)cc3)cc2)c1C ZINC000409095629 563947630 /nfs/dbraw/zinc/94/76/30/563947630.db2.gz BOHJCAWKAZSOKQ-HZHRSRAPSA-N 0 0 348.446 5.676 40 30 EKEBRN CCOc1cc2c(cc1/C=N\c1ccc(-c3ccccc3)cc1)OCO2 ZINC000409095709 257879987 /nfs/dbraw/zinc/87/99/87/257879987.db2.gz IJLBMYMKADUYDK-UCQKPKSFSA-N 0 0 345.398 5.232 40 30 EKEBRN CCc1ccc(C(=O)C=CNc2ccc(Oc3ccccc3)cc2)cc1 ZINC000409096330 257880238 /nfs/dbraw/zinc/88/02/38/257880238.db2.gz KSWHZWJDCMHCPG-WUKNDPDISA-N 0 0 343.426 5.850 40 30 EKEBRN COc1ccc(Oc2ccc(NC3=CC(=O)CC(C)(C)C3)cc2)cc1 ZINC000409097114 563947611 /nfs/dbraw/zinc/94/76/11/563947611.db2.gz MNMSDGMCXYCKRE-UHFFFAOYSA-N 0 0 337.419 5.172 40 30 EKEBRN CC(C)n1cc(CN=Nc2ccc(C(F)(F)F)cn2)c2ccccc21 ZINC000409097350 517498681 /nfs/dbraw/zinc/49/86/81/517498681.db2.gz NKLSNLSLYLXJJH-NUGSKGIGSA-N 0 0 346.356 5.082 40 30 EKEBRN C=CCn1c(C)c(/C=C2\Sc3ccccc3NC2=O)c2ccccc21 ZINC000409097529 563947625 /nfs/dbraw/zinc/94/76/25/563947625.db2.gz OBLWEFXMGMCPJS-MOSHPQCFSA-N 0 0 346.455 5.221 40 30 EKEBRN N#Cc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 ZINC000409097684 564009868 /nfs/dbraw/zinc/00/98/68/564009868.db2.gz NUUDOTWPXZOOKW-OEAKJJBVSA-N 0 0 348.858 6.113 40 30 EKEBRN O=C(C=CNc1ccc(Oc2ccccc2Cl)cc1)c1ccccc1 ZINC000409097755 564009870 /nfs/dbraw/zinc/00/98/70/564009870.db2.gz NKRWFLJIWATTTN-CCEZHUSRSA-N 0 0 349.817 5.941 40 30 EKEBRN CCOc1ccc(Cl)cc1/C=N\c1cccc(Cl)c1Cl ZINC000409098041 564009867 /nfs/dbraw/zinc/00/98/67/564009867.db2.gz PFWPBZHJXJVARB-OCKHKDLRSA-N 0 0 328.626 5.796 40 30 EKEBRN CCOc1cc2c(cc1/C=N\c1ccc([C@@H](C)CC)cc1)OCO2 ZINC000409098099 564009884 /nfs/dbraw/zinc/00/98/84/564009884.db2.gz NINZIFKSIROJST-HKMXWPIPSA-N 0 0 325.408 5.078 40 30 EKEBRN CCOc1cc2c(cc1/C=N\c1ccc([C@H](C)CC)cc1)OCO2 ZINC000409098103 257879932 /nfs/dbraw/zinc/87/99/32/257879932.db2.gz NINZIFKSIROJST-LQFJMUIISA-N 0 0 325.408 5.078 40 30 EKEBRN Oc1ccccc1/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409098226 563947737 /nfs/dbraw/zinc/94/77/37/563947737.db2.gz KLWGCLDWHSTPOZ-BKUYFWCQSA-N 0 0 339.847 5.947 40 30 EKEBRN CCOc1ccc(Cl)cc1/C=N\c1ccc(Cl)cc1Cl ZINC000409098541 564009896 /nfs/dbraw/zinc/00/98/96/564009896.db2.gz PCQSKNNAEZLIJE-OCKHKDLRSA-N 0 0 328.626 5.796 40 30 EKEBRN C=CCSc1nnc(-c2ccc(Cl)cc2)n1-c1cccc(C)c1 ZINC000409099471 564009903 /nfs/dbraw/zinc/00/99/03/564009903.db2.gz STKIPBINSROMTE-UHFFFAOYSA-N 0 0 341.867 5.174 40 30 EKEBRN O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(-c3ccccc3)cc2)c1 ZINC000409099703 257879561 /nfs/dbraw/zinc/87/95/61/257879561.db2.gz SFFZOVUERDWKPV-FYJGNVAPSA-N 0 0 336.778 5.666 40 30 EKEBRN Fc1cc(/C=N\c2ccc(Cl)c(Cl)c2)ccc1N1CCCC1 ZINC000409100098 257879754 /nfs/dbraw/zinc/87/97/54/257879754.db2.gz UTFCWRPRHVLXEO-NHDPSOOVSA-N 0 0 337.225 5.483 40 30 EKEBRN CC(C)(C)C(=O)C=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000409100550 257879750 /nfs/dbraw/zinc/87/97/50/257879750.db2.gz UPPTXEFJXVTCCV-SNAWJCMRSA-N 0 0 339.279 5.265 40 30 EKEBRN Cc1ccccc1/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000409101042 563947825 /nfs/dbraw/zinc/94/78/25/563947825.db2.gz OWKOUXZOMDATIQ-HMAPJEAMSA-N 0 0 337.875 6.550 40 30 EKEBRN CCOc1ccc(Cl)cc1/C=N/c1ccc(-c2ccccc2)cc1 ZINC000409101424 564009963 /nfs/dbraw/zinc/00/99/63/564009963.db2.gz XQQKZICUKOXQMM-HZHRSRAPSA-N 0 0 335.834 6.156 40 30 EKEBRN CCOc1ccc(Cl)cc1/C=N/c1cccc(Br)c1 ZINC000409101895 564009945 /nfs/dbraw/zinc/00/99/45/564009945.db2.gz ZEQVXQVKJYLROU-VCHYOVAHSA-N 0 0 338.632 5.252 40 30 EKEBRN COc1ccccc1Oc1ccc(NC=CC(=O)c2ccccc2)cc1 ZINC000409101923 563947726 /nfs/dbraw/zinc/94/77/26/563947726.db2.gz ZOIDWIFDSIWNCZ-FOCLMDBBSA-N 0 0 345.398 5.296 40 30 EKEBRN Oc1cccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)c1 ZINC000409102631 564009980 /nfs/dbraw/zinc/00/99/80/564009980.db2.gz DTBKRDGLYOOSDG-BKUYFWCQSA-N 0 0 339.847 5.947 40 30 EKEBRN CCOc1ccc(Cl)cc1/C=N\c1ccc(Cl)c(Cl)c1 ZINC000409103803 563947859 /nfs/dbraw/zinc/94/78/59/563947859.db2.gz ZBFXJSDDFBHPOE-OCKHKDLRSA-N 0 0 328.626 5.796 40 30 EKEBRN COc1ccccc1Oc1ccc(NC2=CC(=O)CC(C)(C)C2)cc1 ZINC000409103814 563947823 /nfs/dbraw/zinc/94/78/23/563947823.db2.gz WXEKVNJAXWZMNG-UHFFFAOYSA-N 0 0 337.419 5.172 40 30 EKEBRN Cc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 ZINC000409104000 564009799 /nfs/dbraw/zinc/00/97/99/564009799.db2.gz IBSNKUCZNVZPOE-HYARGMPZSA-N 0 0 337.875 6.550 40 30 EKEBRN CCOc1ccc(Cl)cc1/C=N/c1ccc(Br)cc1 ZINC000409104060 563947979 /nfs/dbraw/zinc/94/79/79/563947979.db2.gz DBNGQOMHCFFRFA-VCHYOVAHSA-N 0 0 338.632 5.252 40 30 EKEBRN CCN(CC)c1ccc(/N=C/c2ccc(N3CCCC3)c(F)c2)cc1 ZINC000409104855 257879651 /nfs/dbraw/zinc/87/96/51/257879651.db2.gz IWRIOOBETLRRFD-XQNSMLJCSA-N 0 0 339.458 5.023 40 30 EKEBRN O=[N+]([O-])c1ccc(Cl)c(/C=N\c2cccc(Cl)c2Cl)c1 ZINC000409105456 563948057 /nfs/dbraw/zinc/94/80/57/563948057.db2.gz JUNQJFZHDKATNO-IDUWFGFVSA-N 0 0 329.570 5.306 40 30 EKEBRN O=[N+]([O-])c1cc(/C=N\c2cccc(Cl)c2Cl)ccc1Cl ZINC000409105910 564010117 /nfs/dbraw/zinc/01/01/17/564010117.db2.gz JWRPPRCYJLAWSR-IDUWFGFVSA-N 0 0 329.570 5.306 40 30 EKEBRN CCn1c(C)cc(/C=N/c2ccc(Oc3ccccc3OC)cc2)c1C ZINC000409105973 564010124 /nfs/dbraw/zinc/01/01/24/564010124.db2.gz PUYVIMGVJGBUAU-HZHRSRAPSA-N 0 0 348.446 5.676 40 30 EKEBRN CC[C@@H](C)c1ccc(/N=C/c2ccc(N3CCOCC3)cc2C)cc1 ZINC000409109092 564009990 /nfs/dbraw/zinc/00/99/90/564009990.db2.gz XRHXAJDERGDOBF-BXDFRRGMSA-N 0 0 336.479 5.096 40 30 EKEBRN CC[C@H](C)c1ccc(/N=C/c2ccc(N3CCOCC3)cc2C)cc1 ZINC000409109093 563948843 /nfs/dbraw/zinc/94/88/43/563948843.db2.gz XRHXAJDERGDOBF-CSUZIONRSA-N 0 0 336.479 5.096 40 30 EKEBRN C=CCOc1ccc(Br)cc1CNc1cc(C)ccc1C ZINC000409109349 563948954 /nfs/dbraw/zinc/94/89/54/563948954.db2.gz CANHOMJELUJIPM-UHFFFAOYSA-N 0 0 346.268 5.243 40 30 EKEBRN C=CCc1cc(CO)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409109432 564010003 /nfs/dbraw/zinc/01/00/03/564010003.db2.gz DTIFVZJWWIDIFN-UHFFFAOYSA-N 0 0 348.442 5.038 40 30 EKEBRN C=CCc1cc(CNc2cccc(Cl)c2C)cc(OC)c1OC ZINC000409109459 564010026 /nfs/dbraw/zinc/01/00/26/564010026.db2.gz FHMYXCLCUCJXBN-UHFFFAOYSA-N 0 0 331.843 5.006 40 30 EKEBRN C#CCOc1c(Cl)cc(Cl)cc1CNc1ccc(C)cc1C ZINC000409109569 564010011 /nfs/dbraw/zinc/01/00/11/564010011.db2.gz HHTBTIIMTQVGSQ-UHFFFAOYSA-N 0 0 334.246 5.234 40 30 EKEBRN C=CCOc1c(CC=C)cc(CNc2ccc(CC)cc2)cc1OC ZINC000409109733 564010017 /nfs/dbraw/zinc/01/00/17/564010017.db2.gz KBQANFQWQHJOLJ-UHFFFAOYSA-N 0 0 337.463 5.163 40 30 EKEBRN C=CCOc1c(Cl)cc(CNc2ccc(C)cc2C)cc1Cl ZINC000409110147 563948929 /nfs/dbraw/zinc/94/89/29/563948929.db2.gz SKMGYLNBAJYOFY-UHFFFAOYSA-N 0 0 336.262 5.787 40 30 EKEBRN C=CCc1cc(CNc2ccc(C)c(Cl)c2)cc(OCC)c1O ZINC000409110167 563948914 /nfs/dbraw/zinc/94/89/14/563948914.db2.gz SVOIZBBGSQWRST-UHFFFAOYSA-N 0 0 331.843 5.093 40 30 EKEBRN C=CCOc1c(Cl)cc(Cl)cc1CNc1ccc(C)c(C)c1 ZINC000409110318 564010020 /nfs/dbraw/zinc/01/00/20/564010020.db2.gz BOZCLZGVTNXANP-UHFFFAOYSA-N 0 0 336.262 5.787 40 30 EKEBRN C=CCc1cc(CNc2ccccc2C)cc(OCC)c1OCC ZINC000409110339 563948927 /nfs/dbraw/zinc/94/89/27/563948927.db2.gz UTGOIIFTUPLCCC-UHFFFAOYSA-N 0 0 325.452 5.133 40 30 EKEBRN C#CCOc1c(CC=C)cc(CNc2ccccc2CC)cc1OCC ZINC000409110447 564009996 /nfs/dbraw/zinc/00/99/96/564009996.db2.gz CENRPPGDIHRETM-UHFFFAOYSA-N 0 0 349.474 5.000 40 30 EKEBRN C=CCc1cc(CNc2ccc(C)cc2)cc(OCC)c1OCCC ZINC000409110643 563949089 /nfs/dbraw/zinc/94/90/89/563949089.db2.gz XKBFDLLJPMCHFC-UHFFFAOYSA-N 0 0 339.479 5.523 40 30 EKEBRN C=CCOc1c(Cl)cc(CNc2cc(C)ccc2C)cc1Cl ZINC000409110733 564010002 /nfs/dbraw/zinc/01/00/02/564010002.db2.gz GDIQUFVPLLWLKS-UHFFFAOYSA-N 0 0 336.262 5.787 40 30 EKEBRN C=CCc1cc(CNc2ccc(CC)cc2)cc(OCC)c1OCC ZINC000409110771 564010037 /nfs/dbraw/zinc/01/00/37/564010037.db2.gz YKKPLISUNLOGLK-UHFFFAOYSA-N 0 0 339.479 5.387 40 30 EKEBRN C=CCc1cc(CNc2ccc(C)cc2)cc(OCC)c1OCC ZINC000409110879 563949064 /nfs/dbraw/zinc/94/90/64/563949064.db2.gz HKXLYQOADMGOJS-UHFFFAOYSA-N 0 0 325.452 5.133 40 30 EKEBRN Cc1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1 ZINC000409111001 257878725 /nfs/dbraw/zinc/87/87/25/257878725.db2.gz BCBXTCFDOWXTNZ-STZFKDTASA-N 0 0 348.427 5.805 40 30 EKEBRN C=CCOc1ccc(CNc2cccc(Cl)c2C)cc1OCC ZINC000409111126 257878642 /nfs/dbraw/zinc/87/86/42/257878642.db2.gz AZOLOKFQYDCEBL-UHFFFAOYSA-N 0 0 331.843 5.224 40 30 EKEBRN C=CCOc1ccc(Br)cc1CNc1ccc(CC)cc1 ZINC000409111388 563949086 /nfs/dbraw/zinc/94/90/86/563949086.db2.gz CJNYPSQNDWUDFO-UHFFFAOYSA-N 0 0 346.268 5.188 40 30 EKEBRN C=CCOc1ccc(CNc2ccccc2CC)cc1Br ZINC000409111419 564010044 /nfs/dbraw/zinc/01/00/44/564010044.db2.gz CNCBHIANROAEGN-UHFFFAOYSA-N 0 0 346.268 5.188 40 30 EKEBRN C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OC)c1OC ZINC000409111547 257878560 /nfs/dbraw/zinc/87/85/60/257878560.db2.gz JGUMOYKXNGVKBD-UHFFFAOYSA-N 0 0 331.843 5.006 40 30 EKEBRN C=CCc1cc(CNc2ccc(C)c(Cl)c2)cc(OC)c1OCC ZINC000409111761 564010047 /nfs/dbraw/zinc/01/00/47/564010047.db2.gz DVLPHPYJYQNBMA-UHFFFAOYSA-N 0 0 345.870 5.396 40 30 EKEBRN C=CCc1cc(CNc2ccc(C)c(Cl)c2)cc(OC)c1OC ZINC000409111906 564010049 /nfs/dbraw/zinc/01/00/49/564010049.db2.gz DVRIOCBPKYNHEK-UHFFFAOYSA-N 0 0 331.843 5.006 40 30 EKEBRN C=CCOc1c(Cl)cc(CNc2ccc(OC)cc2)cc1Cl ZINC000409112196 564010053 /nfs/dbraw/zinc/01/00/53/564010053.db2.gz FJNHNWDCZZMCCH-UHFFFAOYSA-N 0 0 338.234 5.179 40 30 EKEBRN C=CCOc1c(CC=C)cc(CNc2ccc(C)c(C)c2)cc1OC ZINC000409112247 564010040 /nfs/dbraw/zinc/01/00/40/564010040.db2.gz CBFWZRXUVZLFPB-UHFFFAOYSA-N 0 0 337.463 5.217 40 30 EKEBRN C=CCOc1c(Cl)cc(CNc2cccc(C)c2C)cc1Cl ZINC000409112272 257878815 /nfs/dbraw/zinc/87/88/15/257878815.db2.gz FPLSQTDNNHUTKM-UHFFFAOYSA-N 0 0 336.262 5.787 40 30 EKEBRN CCOc1ccc(Cl)cc1/C=N/c1ccc(N(CC)CC)cc1 ZINC000409112642 257878681 /nfs/dbraw/zinc/87/86/81/257878681.db2.gz FTDIUKCMMMXGIO-KGENOOAVSA-N 0 0 330.859 5.336 40 30 EKEBRN C=CCOc1c(Cl)cc(CNc2ccc(C)c(C)c2)cc1OCC ZINC000409112655 563949137 /nfs/dbraw/zinc/94/91/37/563949137.db2.gz FONCEQNERBMYGU-UHFFFAOYSA-N 0 0 345.870 5.532 40 30 EKEBRN C=CCOc1ccc(CNc2ccc(C)cc2C)cc1Br ZINC000409112923 257878800 /nfs/dbraw/zinc/87/88/00/257878800.db2.gz CRAQHAWERWXMBB-UHFFFAOYSA-N 0 0 346.268 5.243 40 30 EKEBRN C=CCOc1c(Cl)cc(CNc2cccc(C)c2)cc1OCC ZINC000409113003 563949127 /nfs/dbraw/zinc/94/91/27/563949127.db2.gz MZZMUHAOTOTRBO-UHFFFAOYSA-N 0 0 331.843 5.224 40 30 EKEBRN C=CCc1cc(CNc2ccc(CC)cc2)cc(OC)c1OCCC ZINC000409113133 564010087 /nfs/dbraw/zinc/01/00/87/564010087.db2.gz GPGSGUSHVDDOFP-UHFFFAOYSA-N 0 0 339.479 5.387 40 30 EKEBRN C=CCc1cc(CNc2ccccc2CC)cc(OC)c1OCCC ZINC000409113209 563949287 /nfs/dbraw/zinc/94/92/87/563949287.db2.gz HCEFFJKLYVRGJB-UHFFFAOYSA-N 0 0 339.479 5.387 40 30 EKEBRN C#CCOc1c(Cl)cc(CNc2cc(C)ccc2C)cc1Cl ZINC000409113318 564010074 /nfs/dbraw/zinc/01/00/74/564010074.db2.gz AIAANBOOMBTQRW-UHFFFAOYSA-N 0 0 334.246 5.234 40 30 EKEBRN C=CCOc1c(CC=C)cc(CNc2ccccc2CC)cc1OC ZINC000409113379 563949284 /nfs/dbraw/zinc/94/92/84/563949284.db2.gz FTWVVDNFXMLRBP-UHFFFAOYSA-N 0 0 337.463 5.163 40 30 EKEBRN C#CCOc1cccc(CNc2ccc(Oc3ccccc3)cc2)c1 ZINC000409113419 563949298 /nfs/dbraw/zinc/94/92/98/563949298.db2.gz FWVLHIJPCIEZKU-UHFFFAOYSA-N 0 0 329.399 5.103 40 30 EKEBRN C=CCOc1ccc(CNc2cccc(C)c2C)cc1Br ZINC000409113507 563949289 /nfs/dbraw/zinc/94/92/89/563949289.db2.gz GMVMXRZUVFQCLD-UHFFFAOYSA-N 0 0 346.268 5.243 40 30 EKEBRN C=CCOc1c(Cl)cc(CNc2ccc(CC)cc2)cc1OCC ZINC000409113558 563949294 /nfs/dbraw/zinc/94/92/94/563949294.db2.gz HDQUGJFAHDJFQF-UHFFFAOYSA-N 0 0 345.870 5.478 40 30 EKEBRN C=CCc1cc(CNc2cccc(Cl)c2C)cc(OCC)c1OC ZINC000409113682 257878798 /nfs/dbraw/zinc/87/87/98/257878798.db2.gz FQUGIALJBBPJKR-UHFFFAOYSA-N 0 0 345.870 5.396 40 30 EKEBRN C=CCOc1c(Cl)cc(Cl)cc1CNc1cc(C)ccc1C ZINC000409113711 257878482 /nfs/dbraw/zinc/87/84/82/257878482.db2.gz GHBKGJLNEDFAHK-UHFFFAOYSA-N 0 0 336.262 5.787 40 30 EKEBRN C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OCC)c1OCC ZINC000409113729 563949354 /nfs/dbraw/zinc/94/93/54/563949354.db2.gz FAFWFJKATYWYNV-UHFFFAOYSA-N 0 0 339.479 5.441 40 30 EKEBRN C#CCOc1c(CC=C)cc(CNc2ccc(C)cc2C)cc1OCC ZINC000409113795 563949272 /nfs/dbraw/zinc/94/92/72/563949272.db2.gz IVNUZJUHJXPLTC-UHFFFAOYSA-N 0 0 349.474 5.055 40 30 EKEBRN C=CCOc1c(Cl)cc(CNc2ccc(C)cc2C)cc1OCC ZINC000409113908 257878632 /nfs/dbraw/zinc/87/86/32/257878632.db2.gz JKEDAZSAHBFXQY-UHFFFAOYSA-N 0 0 345.870 5.532 40 30 EKEBRN C=CCc1cc(CNc2cc(C)ccc2C)cc(OCC)c1OC ZINC000409113925 564010080 /nfs/dbraw/zinc/01/00/80/564010080.db2.gz OUBASKBIWJXJED-UHFFFAOYSA-N 0 0 325.452 5.051 40 30 EKEBRN C#CCOc1c(Cl)cc(Cl)cc1CNc1cc(C)ccc1C ZINC000409113963 564010228 /nfs/dbraw/zinc/01/02/28/564010228.db2.gz JVQBFUUEGZTQOT-UHFFFAOYSA-N 0 0 334.246 5.234 40 30 EKEBRN C=CCc1cc(CNc2cccc(C)c2)cc(OC)c1OCCC ZINC000409114026 563949349 /nfs/dbraw/zinc/94/93/49/563949349.db2.gz KEWNNROAYCBRRL-UHFFFAOYSA-N 0 0 325.452 5.133 40 30 EKEBRN C=CCc1cc(CNc2cccc(C)c2)cc(OCC)c1OCCC ZINC000409114395 564010340 /nfs/dbraw/zinc/01/03/40/564010340.db2.gz HDHRBSHOLVPLHW-UHFFFAOYSA-N 0 0 339.479 5.523 40 30 EKEBRN C=CCOc1c(CC=C)cc(CNc2ccc(C)cc2C)cc1OC ZINC000409114711 564010048 /nfs/dbraw/zinc/01/00/48/564010048.db2.gz PVXFMXMYMLUUJP-UHFFFAOYSA-N 0 0 337.463 5.217 40 30 EKEBRN Clc1ccc(Sc2ccc(C=NNc3ccccc3)cc2)cc1 ZINC000409115107 257878821 /nfs/dbraw/zinc/87/88/21/257878821.db2.gz KDIYPSOVHVLUCV-KGENOOAVSA-N 0 0 338.863 5.937 40 30 EKEBRN C=CCOc1c(Cl)cc(Cl)cc1CNc1ccc(OC)cc1 ZINC000409115134 257878796 /nfs/dbraw/zinc/87/87/96/257878796.db2.gz IOAPWYXOLMVXNZ-UHFFFAOYSA-N 0 0 338.234 5.179 40 30 EKEBRN C=CCc1cc(CNc2ccccc2CC)cc(OCC)c1OCC ZINC000409115187 563949674 /nfs/dbraw/zinc/94/96/74/563949674.db2.gz KVGDOCSLEHUFJL-UHFFFAOYSA-N 0 0 339.479 5.387 40 30 EKEBRN C=CCOc1c(Cl)cc(Cl)cc1CNc1ccc(CC)cc1 ZINC000409115325 563949782 /nfs/dbraw/zinc/94/97/82/563949782.db2.gz IRAYUUYMVBYCKE-UHFFFAOYSA-N 0 0 336.262 5.733 40 30 EKEBRN C=CCOc1c(Cl)cc(Cl)cc1CNc1cccc(C)c1C ZINC000409115384 563949743 /nfs/dbraw/zinc/94/97/43/563949743.db2.gz RMMVKMCAVBBHOC-UHFFFAOYSA-N 0 0 336.262 5.787 40 30 EKEBRN C#CCOc1c(CC=C)cc(CNc2ccc(CC)cc2)cc1OCC ZINC000409115391 257878813 /nfs/dbraw/zinc/87/88/13/257878813.db2.gz MHVNJGMZOFLRJH-UHFFFAOYSA-N 0 0 349.474 5.000 40 30 EKEBRN C=CCc1cc(CNc2ccccc2)cc(OCC)c1OCCC ZINC000409115699 563949794 /nfs/dbraw/zinc/94/97/94/563949794.db2.gz SYAFUZADDVQEHL-UHFFFAOYSA-N 0 0 325.452 5.215 40 30 EKEBRN Cc1ccc(/N=C\c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000409115729 257878487 /nfs/dbraw/zinc/87/84/87/257878487.db2.gz KAOADCBCESIAHG-STZFKDTASA-N 0 0 348.427 5.805 40 30 EKEBRN C=CCOc1c(Cl)cc(CNc2ccccc2CC)cc1OCC ZINC000409115748 257878568 /nfs/dbraw/zinc/87/85/68/257878568.db2.gz KHXMJRGSZDACQI-UHFFFAOYSA-N 0 0 345.870 5.478 40 30 EKEBRN C=CCc1cc(CNc2ccc(C)cc2C)cc(OCC)c1OCC ZINC000409115871 257878603 /nfs/dbraw/zinc/87/86/03/257878603.db2.gz HYSSCMRJJLSXHJ-UHFFFAOYSA-N 0 0 339.479 5.441 40 30 EKEBRN C=CCc1cc(CNc2cc(C)ccc2C)cc(OC)c1OCCC ZINC000409115960 257878838 /nfs/dbraw/zinc/87/88/38/257878838.db2.gz KBDUJJQZBYPJJT-UHFFFAOYSA-N 0 0 339.479 5.441 40 30 EKEBRN C=CCc1cc(CNc2ccc(C)cc2C)cc(OC)c1OCC ZINC000409116027 564010394 /nfs/dbraw/zinc/01/03/94/564010394.db2.gz LDSFWUVRBMNXCP-UHFFFAOYSA-N 0 0 325.452 5.051 40 30 EKEBRN C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OC)c1OCC ZINC000409116197 563949867 /nfs/dbraw/zinc/94/98/67/563949867.db2.gz MXOKYZFYPBWSCP-UHFFFAOYSA-N 0 0 345.870 5.396 40 30 EKEBRN C=CCc1cc(CNc2cccc(Cl)c2C)cc(OC)c1OCC ZINC000409116432 563949859 /nfs/dbraw/zinc/94/98/59/563949859.db2.gz LTEAGXHUMUQHFY-UHFFFAOYSA-N 0 0 345.870 5.396 40 30 EKEBRN C=CCOc1ccc(CNc2ccc(C)c(C)c2)cc1Br ZINC000409116696 257878594 /nfs/dbraw/zinc/87/85/94/257878594.db2.gz LLAUJZXUNGNFBS-UHFFFAOYSA-N 0 0 346.268 5.243 40 30 EKEBRN C=CCOc1c(Cl)cc(CNc2ccc(C)c(C)c2)cc1OC ZINC000409116734 563950154 /nfs/dbraw/zinc/95/01/54/563950154.db2.gz LZYAUOXYXYYLKA-UHFFFAOYSA-N 0 0 331.843 5.142 40 30 EKEBRN C=CCc1cc(CNc2cccc(Cl)c2C)cc(OCC)c1O ZINC000409116788 564010236 /nfs/dbraw/zinc/01/02/36/564010236.db2.gz MNNQFHLCUXXEFM-UHFFFAOYSA-N 0 0 331.843 5.093 40 30 EKEBRN C#CCOc1c(Cl)cc(CNc2ccc(CC)cc2)cc1Cl ZINC000409116878 257878319 /nfs/dbraw/zinc/87/83/19/257878319.db2.gz NJXHALDVNZCSKH-UHFFFAOYSA-N 0 0 334.246 5.180 40 30 EKEBRN C#CCOc1c(Cl)cc(CNc2ccccc2CC)cc1Cl ZINC000409116898 563950288 /nfs/dbraw/zinc/95/02/88/563950288.db2.gz NMHNQGCIWBVVCD-UHFFFAOYSA-N 0 0 334.246 5.180 40 30 EKEBRN C#CCOc1c(Cl)cc(Cl)cc1CNc1ccccc1CC ZINC000409117042 563950450 /nfs/dbraw/zinc/95/04/50/563950450.db2.gz KKYCPGGJRGNCIW-UHFFFAOYSA-N 0 0 334.246 5.180 40 30 EKEBRN C#CCOc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1 ZINC000409117179 563950526 /nfs/dbraw/zinc/95/05/26/563950526.db2.gz KZCQSTNIRZRDGL-UHFFFAOYSA-N 0 0 329.399 5.103 40 30 EKEBRN C=CCOc1c(CC=C)cc(CNc2cccc(C)c2)cc1OCC ZINC000409117234 563950524 /nfs/dbraw/zinc/95/05/24/563950524.db2.gz NTPVGJMTHSWTOU-UHFFFAOYSA-N 0 0 337.463 5.299 40 30 EKEBRN C=CCOc1c(CC=C)cc(CNc2cc(C)ccc2C)cc1OC ZINC000409117297 563950519 /nfs/dbraw/zinc/95/05/19/563950519.db2.gz MVBFKUGCIJPCCW-UHFFFAOYSA-N 0 0 337.463 5.217 40 30 EKEBRN C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OCC)c1OC ZINC000409117299 564010203 /nfs/dbraw/zinc/01/02/03/564010203.db2.gz QUAFSQNSUODVPU-UHFFFAOYSA-N 0 0 345.870 5.396 40 30 EKEBRN Fc1cccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)c1 ZINC000409117383 564010256 /nfs/dbraw/zinc/01/02/56/564010256.db2.gz OJAAKQGVGPREMH-LPYMAVHISA-N 0 0 341.838 6.381 40 30 EKEBRN C=CCOc1c(Cl)cc(CNc2cc(C)ccc2C)cc1OC ZINC000409117535 257878257 /nfs/dbraw/zinc/87/82/57/257878257.db2.gz PECMRSOWHFZKLJ-UHFFFAOYSA-N 0 0 331.843 5.142 40 30 EKEBRN C=CCOc1ccc(Br)cc1CNc1cccc(C)c1C ZINC000409117741 564010240 /nfs/dbraw/zinc/01/02/40/564010240.db2.gz MMSLLSQZCYENEW-UHFFFAOYSA-N 0 0 346.268 5.243 40 30 EKEBRN C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OCC)c1O ZINC000409117841 563950614 /nfs/dbraw/zinc/95/06/14/563950614.db2.gz ORAIGYVMFPRSOA-UHFFFAOYSA-N 0 0 331.843 5.093 40 30 EKEBRN C=CCOc1ccc(CNc2cc(C)ccc2C)cc1Br ZINC000409117941 564010255 /nfs/dbraw/zinc/01/02/55/564010255.db2.gz MDWQFMIPFBLZCP-UHFFFAOYSA-N 0 0 346.268 5.243 40 30 EKEBRN C#CCOc1c(Cl)cc(CNc2ccc(C)cc2C)cc1Cl ZINC000409118093 564010275 /nfs/dbraw/zinc/01/02/75/564010275.db2.gz SHZVFTFSXWINHO-UHFFFAOYSA-N 0 0 334.246 5.234 40 30 EKEBRN C=CCOc1c(Cl)cc(CNc2ccc(C)cc2)cc1OCC ZINC000409118515 563951017 /nfs/dbraw/zinc/95/10/17/563951017.db2.gz QWBOPGACIOAOGZ-UHFFFAOYSA-N 0 0 331.843 5.224 40 30 EKEBRN C=CCOc1cccc(CNc2ccc(Oc3ccccc3)cc2)c1 ZINC000409118593 563950996 /nfs/dbraw/zinc/95/09/96/563950996.db2.gz ROPQATUIBIEGGO-UHFFFAOYSA-N 0 0 331.415 5.656 40 30 EKEBRN C=CCOc1ccc(Br)cc1CNc1ccc(C)c(C)c1 ZINC000409118798 564010298 /nfs/dbraw/zinc/01/02/98/564010298.db2.gz RAQGIUVKKNMHKA-UHFFFAOYSA-N 0 0 346.268 5.243 40 30 EKEBRN C=CCc1cc(CNc2ccc(C)cc2)cc(OC)c1OCCC ZINC000409118850 564010284 /nfs/dbraw/zinc/01/02/84/564010284.db2.gz UXAAFRKKBDHANT-UHFFFAOYSA-N 0 0 325.452 5.133 40 30 EKEBRN C=CCOc1ccc(CNc2ccc(C)c(Cl)c2)cc1OCC ZINC000409119182 563951434 /nfs/dbraw/zinc/95/14/34/563951434.db2.gz RGKIENHUPQEPBK-UHFFFAOYSA-N 0 0 331.843 5.224 40 30 EKEBRN C=CCOc1c(CC=C)cc(CNc2ccc(C)cc2)cc1OCC ZINC000409119278 257877999 /nfs/dbraw/zinc/87/79/99/257877999.db2.gz SMDAPXBBDPHCGP-UHFFFAOYSA-N 0 0 337.463 5.299 40 30 EKEBRN C#CCOc1c(Cl)cc(Cl)cc1CNc1cccc(C)c1C ZINC000409119728 563951799 /nfs/dbraw/zinc/95/17/99/563951799.db2.gz STMWONJPCTYISO-UHFFFAOYSA-N 0 0 334.246 5.234 40 30 EKEBRN C=CCOc1c(Cl)cc(CNc2ccccc2C)cc1OCC ZINC000409119734 564010288 /nfs/dbraw/zinc/01/02/88/564010288.db2.gz QCMDNZSUWJNQOT-UHFFFAOYSA-N 0 0 331.843 5.224 40 30 EKEBRN C=CCc1cc(CNc2cccc(C)c2)cc(OCC)c1OCC ZINC000409120032 564010276 /nfs/dbraw/zinc/01/02/76/564010276.db2.gz SMHAVUFNAXEXOA-UHFFFAOYSA-N 0 0 325.452 5.133 40 30 EKEBRN C#CCOc1c(CC=C)cc(CNc2cc(C)ccc2C)cc1OCC ZINC000409120068 257878112 /nfs/dbraw/zinc/87/81/12/257878112.db2.gz UWDWHQFEWLEHMS-UHFFFAOYSA-N 0 0 349.474 5.055 40 30 EKEBRN C=CCOc1c(Cl)cc(Cl)cc1CNc1ccccc1CC ZINC000409120108 257878002 /nfs/dbraw/zinc/87/80/02/257878002.db2.gz VERBDDVDBMVNAH-UHFFFAOYSA-N 0 0 336.262 5.733 40 30 EKEBRN C=CCOc1c(CC=C)cc(CNc2cccc(C)c2C)cc1OC ZINC000409120171 564010287 /nfs/dbraw/zinc/01/02/87/564010287.db2.gz YKNWRWXHUVZTBW-UHFFFAOYSA-N 0 0 337.463 5.217 40 30 EKEBRN C=CCc1cc(CNc2cc(C)ccc2C)cc(OC)c1OCC ZINC000409120188 257878364 /nfs/dbraw/zinc/87/83/64/257878364.db2.gz SGXXNADOQYQOFL-UHFFFAOYSA-N 0 0 325.452 5.051 40 30 EKEBRN C=CCOc1ccc(CNc2ccc(CC)cc2)cc1Br ZINC000409120253 257878199 /nfs/dbraw/zinc/87/81/99/257878199.db2.gz SRUVCBZICIJKNI-UHFFFAOYSA-N 0 0 346.268 5.188 40 30 EKEBRN C=CCOc1ccc(CNc2cc(Cl)ccc2C)cc1OCC ZINC000409120506 257878107 /nfs/dbraw/zinc/87/81/07/257878107.db2.gz WJYREYHUVMHPHZ-UHFFFAOYSA-N 0 0 331.843 5.224 40 30 EKEBRN C=CCOc1ccc(Br)cc1CNc1ccccc1CC ZINC000409120601 563953162 /nfs/dbraw/zinc/95/31/62/563953162.db2.gz UOURNKFOMQENTP-UHFFFAOYSA-N 0 0 346.268 5.188 40 30 EKEBRN C=CCOc1c(Cl)cc(CNc2cccc(C)c2C)cc1OC ZINC000409120703 257878246 /nfs/dbraw/zinc/87/82/46/257878246.db2.gz VUQCXCPLAQKALY-UHFFFAOYSA-N 0 0 331.843 5.142 40 30 EKEBRN C#CCOc1c(Cl)cc(Cl)cc1CNc1ccc(C)c(C)c1 ZINC000409120722 564010314 /nfs/dbraw/zinc/01/03/14/564010314.db2.gz SEQOVNQZSAKKOE-UHFFFAOYSA-N 0 0 334.246 5.234 40 30 EKEBRN C#CCOc1c(Cl)cc(CNc2cccc(C)c2C)cc1Cl ZINC000409120802 563953308 /nfs/dbraw/zinc/95/33/08/563953308.db2.gz UKHQRYKQPIEOGL-UHFFFAOYSA-N 0 0 334.246 5.234 40 30 EKEBRN C=CCOc1c(Cl)cc(CNc2ccccc2CC)cc1Cl ZINC000409120926 564010316 /nfs/dbraw/zinc/01/03/16/564010316.db2.gz USISVGKMVPIUDY-UHFFFAOYSA-N 0 0 336.262 5.733 40 30 EKEBRN C=CCOc1c(Cl)cc(CNc2ccc(CC)cc2)cc1OC ZINC000409121021 564010327 /nfs/dbraw/zinc/01/03/27/564010327.db2.gz VGEFXOUOGHSLLS-UHFFFAOYSA-N 0 0 331.843 5.088 40 30 EKEBRN C#CCOc1c(CC=C)cc(CNc2ccc(C)c(C)c2)cc1OCC ZINC000409121373 257878105 /nfs/dbraw/zinc/87/81/05/257878105.db2.gz WMESJVSIXJHRMG-UHFFFAOYSA-N 0 0 349.474 5.055 40 30 EKEBRN C=CCOc1c(Cl)cc(CNc2ccccc2CC)cc1OC ZINC000409121386 563953670 /nfs/dbraw/zinc/95/36/70/563953670.db2.gz WPGRKRZNCDAIJU-UHFFFAOYSA-N 0 0 331.843 5.088 40 30 EKEBRN C=CCc1cc(CNc2ccc(C)cc2C)cc(OCC)c1OC ZINC000409121404 564010319 /nfs/dbraw/zinc/01/03/19/564010319.db2.gz VASCKJJYSXVXLL-UHFFFAOYSA-N 0 0 325.452 5.051 40 30 EKEBRN C=CCc1cc(CNc2ccc(C)c(Cl)c2)cc(OCC)c1OC ZINC000409121448 564010325 /nfs/dbraw/zinc/01/03/25/564010325.db2.gz ZXTMSIDDAHVLTA-UHFFFAOYSA-N 0 0 345.870 5.396 40 30 EKEBRN C=CCOc1c(Cl)cc(CNc2cccc(C)c2C)cc1OCC ZINC000409121496 257878068 /nfs/dbraw/zinc/87/80/68/257878068.db2.gz YCFAMALYZNYVOU-UHFFFAOYSA-N 0 0 345.870 5.532 40 30 EKEBRN C=CCc1cc(CNc2cccc(C)c2C)cc(OCC)c1OCC ZINC000409121509 564010335 /nfs/dbraw/zinc/01/03/35/564010335.db2.gz YFOFYNFZHPWXOC-UHFFFAOYSA-N 0 0 339.479 5.441 40 30 EKEBRN C=CCOc1c(CC=C)cc(CNc2ccccc2C)cc1OCC ZINC000409121735 564010324 /nfs/dbraw/zinc/01/03/24/564010324.db2.gz VXCRTRLJFGADOI-UHFFFAOYSA-N 0 0 337.463 5.299 40 30 EKEBRN C=CCOc1c(Cl)cc(CNc2ccc(C)c(C)c2)cc1Cl ZINC000409121771 563953667 /nfs/dbraw/zinc/95/36/67/563953667.db2.gz WIZBWNYFZMZESP-UHFFFAOYSA-N 0 0 336.262 5.787 40 30 EKEBRN Cc1cc(O)ccc1NC=CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000409121884 563953660 /nfs/dbraw/zinc/95/36/60/563953660.db2.gz YZDKEAJRMGLICN-BUHFOSPRSA-N 0 0 329.399 5.176 40 30 EKEBRN CCOc1ccc(Cl)cc1/C=N\c1ccccc1Br ZINC000409121920 564010338 /nfs/dbraw/zinc/01/03/38/564010338.db2.gz ZDIFSCXZYDMHKO-ZDLGFXPLSA-N 0 0 338.632 5.252 40 30 EKEBRN C=CCOc1c(Cl)cc(Cl)cc1CNc1ccc(C)cc1C ZINC000409122017 563953843 /nfs/dbraw/zinc/95/38/43/563953843.db2.gz WMFYQHNHRCDKRP-UHFFFAOYSA-N 0 0 336.262 5.787 40 30 EKEBRN C=CCc1cc(CNc2cc(C)ccc2C)cc(OCC)c1OCC ZINC000409122034 563953944 /nfs/dbraw/zinc/95/39/44/563953944.db2.gz WSVYHFNCDBLXQG-UHFFFAOYSA-N 0 0 339.479 5.441 40 30 EKEBRN C=CCc1cc(CNc2ccc(C)cc2C)cc(OC)c1OCCC ZINC000409122057 563953940 /nfs/dbraw/zinc/95/39/40/563953940.db2.gz YNCHJNUPKUAFLI-UHFFFAOYSA-N 0 0 339.479 5.441 40 30 EKEBRN C=CCOc1c(Cl)cc(CNc2cc(C)ccc2C)cc1OCC ZINC000409122275 563953948 /nfs/dbraw/zinc/95/39/48/563953948.db2.gz ZZOUMLCBTSZAMP-UHFFFAOYSA-N 0 0 345.870 5.532 40 30 EKEBRN C=CCc1cc(CNc2cccc(C)c2C)cc(OC)c1OCCC ZINC000409122324 257878323 /nfs/dbraw/zinc/87/83/23/257878323.db2.gz XVRLUBXZKVFDEA-UHFFFAOYSA-N 0 0 339.479 5.441 40 30 EKEBRN C#CCOc1c(Cl)cc(CNc2ccc(C)c(C)c2)cc1Cl ZINC000409122451 564010341 /nfs/dbraw/zinc/01/03/41/564010341.db2.gz YXJPBLRVBNFGMT-UHFFFAOYSA-N 0 0 334.246 5.234 40 30 EKEBRN C#CCOc1c(CC=C)cc(CNc2cccc(C)c2C)cc1OCC ZINC000409122505 563954918 /nfs/dbraw/zinc/95/49/18/563954918.db2.gz YWICUGCHHYSYHV-UHFFFAOYSA-N 0 0 349.474 5.055 40 30 EKEBRN C=CCc1cc(CNc2cccc(C)c2C)cc(OCC)c1OC ZINC000409122509 563954924 /nfs/dbraw/zinc/95/49/24/563954924.db2.gz YYFLOMVZPWGSLZ-UHFFFAOYSA-N 0 0 325.452 5.051 40 30 EKEBRN C#CCOc1c(Cl)cc(Cl)cc1CNc1ccc(CC)cc1 ZINC000409126751 564010423 /nfs/dbraw/zinc/01/04/23/564010423.db2.gz BYPBYGLXKXUXJG-UHFFFAOYSA-N 0 0 334.246 5.180 40 30 EKEBRN C=CCc1cc(CNc2ccccc2C)cc(OCC)c1OCCC ZINC000409127127 257877943 /nfs/dbraw/zinc/87/79/43/257877943.db2.gz CUVFDOVRXBWOOD-UHFFFAOYSA-N 0 0 339.479 5.523 40 30 EKEBRN C=CCc1cc(CNc2ccccc2C)cc(OC)c1OCCC ZINC000409128099 564010404 /nfs/dbraw/zinc/01/04/04/564010404.db2.gz DNMQZVSNKVAFNM-UHFFFAOYSA-N 0 0 325.452 5.133 40 30 EKEBRN C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OCC)c1OC ZINC000409133627 563962943 /nfs/dbraw/zinc/96/29/43/563962943.db2.gz NKRVGFWMZIAMCJ-UHFFFAOYSA-N 0 0 325.452 5.051 40 30 EKEBRN C=CCc1cc(CNc2cccc(C)c2C)cc(OC)c1OCC ZINC000409134235 563963206 /nfs/dbraw/zinc/96/32/06/563963206.db2.gz OFCMAJVXMMIHMP-UHFFFAOYSA-N 0 0 325.452 5.051 40 30 EKEBRN C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OC)c1OCCC ZINC000409134256 563963170 /nfs/dbraw/zinc/96/31/70/563963170.db2.gz OKYZKLKOMRWENU-UHFFFAOYSA-N 0 0 339.479 5.441 40 30 EKEBRN C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OC)c1OCC ZINC000409137463 257877156 /nfs/dbraw/zinc/87/71/56/257877156.db2.gz XKYJWKGCVMJVPY-UHFFFAOYSA-N 0 0 325.452 5.051 40 30 EKEBRN C=CCOc1c(Cl)cc(CNc2ccc(C)cc2C)cc1OC ZINC000409137875 257877192 /nfs/dbraw/zinc/87/71/92/257877192.db2.gz ZFVUWEYVFOVVDW-UHFFFAOYSA-N 0 0 331.843 5.142 40 30 EKEBRN C=CCOc1ccc(Br)cc1CNc1ccc(C)cc1C ZINC000409137942 563963724 /nfs/dbraw/zinc/96/37/24/563963724.db2.gz ZVTWNUBEQWFEAW-UHFFFAOYSA-N 0 0 346.268 5.243 40 30 EKEBRN Cc1oc(/N=C/c2cccc(OCc3ccccc3)c2)c(C#N)c1C ZINC000409139736 564010510 /nfs/dbraw/zinc/01/05/10/564010510.db2.gz DQBXCOQWXVQKFP-YDZHTSKRSA-N 0 0 330.387 5.098 40 30 EKEBRN CCOc1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1Cl ZINC000409144664 517727074 /nfs/dbraw/zinc/72/70/74/517727074.db2.gz ZHNUHVHBOLHLFC-SRZZPIQSSA-N 0 0 344.867 5.301 40 30 EKEBRN O=C(C=CNc1cccc(Cl)c1Cl)c1cccc2ccccc21 ZINC000409176319 563968555 /nfs/dbraw/zinc/96/85/55/563968555.db2.gz KIKYIBHHYHXFKT-VAWYXSNFSA-N 0 0 342.225 5.955 40 30 EKEBRN O=C(C=CNc1cc(Cl)cc(Cl)c1)c1cccc2ccccc21 ZINC000409176475 564010765 /nfs/dbraw/zinc/01/07/65/564010765.db2.gz ONYFSBZNLZRVOJ-CMDGGOBGSA-N 0 0 342.225 5.955 40 30 EKEBRN O=C(C=CNc1ccccc1C(F)(F)F)c1cccc2ccccc21 ZINC000409176977 257875973 /nfs/dbraw/zinc/87/59/73/257875973.db2.gz CVQKPEGJCOXMPJ-OUKQBFOZSA-N 0 0 341.332 5.667 40 30 EKEBRN O=C(C=CNc1ccc(Nc2ccccc2)cc1)c1ccc(F)cc1 ZINC000409177371 564010770 /nfs/dbraw/zinc/01/07/70/564010770.db2.gz FVIIGPGAGBUFDD-CCEZHUSRSA-N 0 0 332.378 5.378 40 30 EKEBRN Cc1ccc(C(=O)C=CNc2ccc(Nc3ccccc3)cc2)cc1 ZINC000409177478 564010767 /nfs/dbraw/zinc/01/07/67/564010767.db2.gz FRABQQZAFQMDDD-FOCLMDBBSA-N 0 0 328.415 5.547 40 30 EKEBRN O=C(C=CNc1ccc(Nc2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000409177488 564010771 /nfs/dbraw/zinc/01/07/71/564010771.db2.gz FZFKTSURXOUZCZ-CCEZHUSRSA-N 0 0 348.833 5.892 40 30 EKEBRN CCCOc1ccc(NC=CC(=O)c2cccc3ccccc32)cc1 ZINC000409178003 257875735 /nfs/dbraw/zinc/87/57/35/257875735.db2.gz KEFVLRLRLYJCNE-CCEZHUSRSA-N 0 0 331.415 5.437 40 30 EKEBRN COc1ccc(C(=O)C=CNc2ccc(Nc3ccccc3)cc2)cc1 ZINC000409178257 563968651 /nfs/dbraw/zinc/96/86/51/563968651.db2.gz KAPYYMUMIQOBKA-FOCLMDBBSA-N 0 0 344.414 5.247 40 30 EKEBRN COc1ccc(Cl)cc1NC=CC(=O)c1cccc2ccccc21 ZINC000409178735 564010810 /nfs/dbraw/zinc/01/08/10/564010810.db2.gz MWPQHKQALXTDII-VAWYXSNFSA-N 0 0 337.806 5.310 40 30 EKEBRN Cc1ccc(N=Nc2ccc(NC=CC(=O)c3ccco3)cc2)cc1 ZINC000409179225 564010791 /nfs/dbraw/zinc/01/07/91/564010791.db2.gz QMQIIIZBPJDGNE-PZFGMSNSSA-N 0 0 331.375 5.812 40 30 EKEBRN CCc1ccc(C(=O)C=CNc2ccc(Nc3ccccc3)cc2)cc1 ZINC000409180794 257875787 /nfs/dbraw/zinc/87/57/87/257875787.db2.gz RQQOCIFFSRAJSU-WUKNDPDISA-N 0 0 342.442 5.801 40 30 EKEBRN O=C(C=CNc1ccc(F)c(Cl)c1)c1cccc2ccccc21 ZINC000409181481 563970436 /nfs/dbraw/zinc/97/04/36/563970436.db2.gz BMCCJCJNLDPTIY-ZHACJKMWSA-N 0 0 325.770 5.441 40 30 EKEBRN Oc1c(/C=N/c2ccc(Nc3ccccc3)cc2)ccc2ccccc21 ZINC000409182096 563970418 /nfs/dbraw/zinc/97/04/18/563970418.db2.gz IUHQQQNUTRIZBU-LFVJCYFKSA-N 0 0 338.410 6.040 40 30 EKEBRN Cc1ccc(N=Nc2ccc(NC=C3CCC[C@H](C)C3=O)cc2)cc1 ZINC000409182282 563970426 /nfs/dbraw/zinc/97/04/26/563970426.db2.gz JUASTGJOCKYFHD-HVQKUMBASA-N 0 0 333.435 6.095 40 30 EKEBRN Cc1ccc(N=Nc2ccc(NC=C3CCC[C@@H](C)C3=O)cc2)cc1 ZINC000409182283 563970442 /nfs/dbraw/zinc/97/04/42/563970442.db2.gz JUASTGJOCKYFHD-WCNKBVKISA-N 0 0 333.435 6.095 40 30 EKEBRN C[C@@H]1CCCC(=CNc2ccc(Oc3ccccc3Cl)cc2)C1=O ZINC000409183904 257875814 /nfs/dbraw/zinc/87/58/14/257875814.db2.gz WFGPWSOWCSYZCZ-JNINTMOKSA-N 0 0 341.838 5.817 40 30 EKEBRN C[C@H]1CCCC(=CNc2ccc(Oc3ccccc3Cl)cc2)C1=O ZINC000409183905 257875957 /nfs/dbraw/zinc/87/59/57/257875957.db2.gz WFGPWSOWCSYZCZ-RHIYTYFCSA-N 0 0 341.838 5.817 40 30 EKEBRN CCOc1ccc(-n2c(C)cc(/C=N\c3ccc(OC)cc3)c2C)cc1 ZINC000409185303 257875780 /nfs/dbraw/zinc/87/57/80/257875780.db2.gz WGKLCMNPSVRTTF-HAHDFKILSA-N 0 0 348.446 5.252 40 30 EKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(C#N)cc3)c2C)cc1 ZINC000409186552 563970645 /nfs/dbraw/zinc/97/06/45/563970645.db2.gz DSCHOJGLCUKVGF-BUVRLJJBSA-N 0 0 343.430 5.115 40 30 EKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3cccc(F)c3)c2C)cc1 ZINC000409186726 563970661 /nfs/dbraw/zinc/97/06/61/563970661.db2.gz HARXIFPJFUBTSJ-OEAKJJBVSA-N 0 0 336.410 5.383 40 30 EKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3cccc(OC)c3)c2C)cc1 ZINC000409186803 564010896 /nfs/dbraw/zinc/01/08/96/564010896.db2.gz IAGPFKBFBIHSPQ-HZHRSRAPSA-N 0 0 348.446 5.252 40 30 EKEBRN CCOc1ccc(-n2c(C)cc(/C=N\c3cccc(C)c3)c2C)cc1 ZINC000409186808 257876025 /nfs/dbraw/zinc/87/60/25/257876025.db2.gz IDFOISRGGMHBSG-HAHDFKILSA-N 0 0 332.447 5.552 40 30 EKEBRN CCOc1ccc(-n2c(C)cc(/C=N\c3ccc(C)cc3C)c2C)cc1 ZINC000409187320 564010785 /nfs/dbraw/zinc/01/07/85/564010785.db2.gz OWLBDBCESGQKFS-IWIPYMOSSA-N 0 0 346.474 5.860 40 30 EKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3ccccc3CC)c2C)cc1 ZINC000409187372 563970653 /nfs/dbraw/zinc/97/06/53/563970653.db2.gz PPKBGCKLIONYKD-LFVJCYFKSA-N 0 0 346.474 5.806 40 30 EKEBRN CCOc1ccc(-n2c(C)cc(/C=N\c3cc(C)ccc3C)c2C)cc1 ZINC000409187556 257875278 /nfs/dbraw/zinc/87/52/78/257875278.db2.gz RVFFIQMZKVSKJL-IWIPYMOSSA-N 0 0 346.474 5.860 40 30 EKEBRN C#CCOc1c(Cl)cc(-c2nc3ccccc3s2)cc1OCC ZINC000409187679 563970634 /nfs/dbraw/zinc/97/06/34/563970634.db2.gz APEMPYOTUFANLK-UHFFFAOYSA-N 0 0 343.835 5.027 40 30 EKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3ccccc3OC)c2C)cc1 ZINC000409188100 564010832 /nfs/dbraw/zinc/01/08/32/564010832.db2.gz AJPWGXMTISUNFL-HZHRSRAPSA-N 0 0 348.446 5.252 40 30 EKEBRN CCOc1ccc(-n2c(C)cc(/C=N\c3ccccc3F)c2C)cc1 ZINC000409188366 563970803 /nfs/dbraw/zinc/97/08/03/563970803.db2.gz YPSOWKSVEUBGAH-UCQKPKSFSA-N 0 0 336.410 5.383 40 30 EKEBRN CCOc1ccc(-n2c(C)cc(/C=N\c3ccccc3C)c2C)cc1 ZINC000409189028 563970845 /nfs/dbraw/zinc/97/08/45/563970845.db2.gz HHAUHIPMQYWUAZ-HAHDFKILSA-N 0 0 332.447 5.552 40 30 EKEBRN N#Cc1ccc(COc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000409189818 563970897 /nfs/dbraw/zinc/97/08/97/563970897.db2.gz TUWZXNVOOOIFKN-UHFFFAOYSA-N 0 0 342.423 5.414 40 30 EKEBRN C=CCOc1ccc(-c2nc3ccccc3s2)cc1Br ZINC000409192913 564010919 /nfs/dbraw/zinc/01/09/19/564010919.db2.gz FYYNTOQPJHWRCS-UHFFFAOYSA-N 0 0 346.249 5.291 40 30 EKEBRN N#Cc1ccccc1COc1ccccc1-c1nc2ccccc2s1 ZINC000409194732 563970884 /nfs/dbraw/zinc/97/08/84/563970884.db2.gz QSFCTFCHNFKNRX-UHFFFAOYSA-N 0 0 342.423 5.414 40 30 EKEBRN N#Cc1ccccc1COc1ccc(-c2nc3ccccc3s2)cc1 ZINC000409195583 563970924 /nfs/dbraw/zinc/97/09/24/563970924.db2.gz WOMZYVOQKUYSIN-UHFFFAOYSA-N 0 0 342.423 5.414 40 30 EKEBRN C#CCOc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000409196593 563970891 /nfs/dbraw/zinc/97/08/91/563970891.db2.gz QDSWIZPBNUZOSI-UHFFFAOYSA-N 0 0 340.637 5.271 40 30 EKEBRN CCc1cccc2c(C#N)cn(CCCOc3ccccc3Cl)c21 ZINC000409197823 257875487 /nfs/dbraw/zinc/87/54/87/257875487.db2.gz PPTLJLAIVUSMHR-UHFFFAOYSA-N 0 0 338.838 5.198 40 30 EKEBRN Cc1ccc(/N=C\c2cccc(OCc3ccccc3F)c2)cc1C ZINC000409198867 257874821 /nfs/dbraw/zinc/87/48/21/257874821.db2.gz ABDHUOBSJIZQOY-OYKKKHCWSA-N 0 0 333.406 5.772 40 30 EKEBRN CCc1ccc(/N=C\c2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000409198997 564010952 /nfs/dbraw/zinc/01/09/52/564010952.db2.gz AUNWXUAALKJFJU-IWIPYMOSSA-N 0 0 349.861 6.232 40 30 EKEBRN C=CCOc1ccc(Br)cc1/C=N/c1ccc(C)c(C)c1 ZINC000409199030 564011005 /nfs/dbraw/zinc/01/10/05/564011005.db2.gz ASQASEFNNCENSZ-UDWIEESQSA-N 0 0 344.252 5.381 40 30 EKEBRN Cc1ccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1C ZINC000409199122 563970923 /nfs/dbraw/zinc/97/09/23/563970923.db2.gz BHGFKHQONUUCOT-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN CCOc1ccc(/N=C\c2cccc(OCc3ccccc3F)c2)cc1 ZINC000409199273 564011033 /nfs/dbraw/zinc/01/10/33/564011033.db2.gz BEPFASRQRXGULW-IWIPYMOSSA-N 0 0 349.405 5.554 40 30 EKEBRN Cc1ccc(COc2ccc(/C=N/c3cc(C)ccc3C)cc2)cc1 ZINC000409199276 257874807 /nfs/dbraw/zinc/87/48/07/257874807.db2.gz BYKXOBTXQNYBBL-BUVRLJJBSA-N 0 0 329.443 5.941 40 30 EKEBRN Cc1ccc(/N=C/c2ccccc2OCc2ccccc2F)cc1C ZINC000409199279 563970969 /nfs/dbraw/zinc/97/09/69/563970969.db2.gz BFULCMXWTPRGSU-ZVHZXABRSA-N 0 0 333.406 5.772 40 30 EKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccccc2)cc1 ZINC000409199457 563970971 /nfs/dbraw/zinc/97/09/71/563970971.db2.gz CVVSYSLGWACKFL-OEAKJJBVSA-N 0 0 335.834 5.978 40 30 EKEBRN Cc1cccc(/N=C/c2ccc(OCc3cccc(F)c3)cc2)c1C ZINC000409200147 564011018 /nfs/dbraw/zinc/01/10/18/564011018.db2.gz HEKFSCLCZHRBLV-ZVHZXABRSA-N 0 0 333.406 5.772 40 30 EKEBRN Cc1cccc(/N=C\c2cccc(OCc3ccccc3Cl)c2)c1C ZINC000409200154 564011017 /nfs/dbraw/zinc/01/10/17/564011017.db2.gz HENSZDSKQXVCEZ-OYKKKHCWSA-N 0 0 349.861 6.286 40 30 EKEBRN C=CCOc1ccc2ccccc2c1/C=N/c1cc(Cl)ccc1C ZINC000409200177 564011035 /nfs/dbraw/zinc/01/10/35/564011035.db2.gz HIPVBNOLTKZGGL-OEAKJJBVSA-N 0 0 335.834 6.117 40 30 EKEBRN Cc1ccc(/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)c(C)c1 ZINC000409200332 564011025 /nfs/dbraw/zinc/01/10/25/564011025.db2.gz HTMLZCRCMPNSKT-OYKKKHCWSA-N 0 0 349.861 6.286 40 30 EKEBRN COc1ccc(/C=N/c2ccc(C)c(Cl)c2)cc1Br ZINC000409200344 563970981 /nfs/dbraw/zinc/97/09/81/563970981.db2.gz HWUTUZFZGGGINE-GIJQJNRQSA-N 0 0 338.632 5.170 40 30 EKEBRN Cc1ccc(COc2ccccc2/C=N/c2cc(Cl)ccc2C)cc1 ZINC000409200352 563970966 /nfs/dbraw/zinc/97/09/66/563970966.db2.gz HXKNYJOHTQEQNV-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN Cc1cccc(/N=C\c2cccc(OCc3ccc(F)cc3)c2)c1C ZINC000409200791 563970999 /nfs/dbraw/zinc/97/09/99/563970999.db2.gz IZGVVBOZQFOOSY-OYKKKHCWSA-N 0 0 333.406 5.772 40 30 EKEBRN Cc1ccc(C)c(/N=C\c2cccc(OCc3ccccc3Cl)c2)c1 ZINC000409200831 257874753 /nfs/dbraw/zinc/87/47/53/257874753.db2.gz JKPWOUPFTLVNHT-OYKKKHCWSA-N 0 0 349.861 6.286 40 30 EKEBRN COc1c(Cl)cc(/C=N/c2cc(Cl)ccc2C)cc1Cl ZINC000409200897 563970991 /nfs/dbraw/zinc/97/09/91/563970991.db2.gz KFAWCMBAALLQEQ-UFWORHAWSA-N 0 0 328.626 5.714 40 30 EKEBRN COc1ccc(/C=N/c2cccc(Cl)c2C)cc1Br ZINC000409200937 563970992 /nfs/dbraw/zinc/97/09/92/563970992.db2.gz KNFHSRQGYIDBHR-GIJQJNRQSA-N 0 0 338.632 5.170 40 30 EKEBRN Cc1ccc(COc2ccc(Cl)cc2/C=N/c2ccccc2)cc1 ZINC000409201401 564011034 /nfs/dbraw/zinc/01/10/34/564011034.db2.gz MKHKUSPFTBAHFY-OEAKJJBVSA-N 0 0 335.834 5.978 40 30 EKEBRN Cc1ccc(COc2cccc(/C=N\c3cc(C)ccc3C)c2)cc1 ZINC000409201451 563971006 /nfs/dbraw/zinc/97/10/06/563971006.db2.gz NAIKMBWSJALFOP-IWIPYMOSSA-N 0 0 329.443 5.941 40 30 EKEBRN C=CCOc1c(Cl)cc(/C=N/c2cccc(C)c2C)cc1Cl ZINC000409201898 257875059 /nfs/dbraw/zinc/87/50/59/257875059.db2.gz OZMZXWTZKURTBC-SRZZPIQSSA-N 0 0 334.246 5.926 40 30 EKEBRN Cc1cccc(/N=C/c2ccccc2OCc2cccc(Cl)c2)c1C ZINC000409201922 563970997 /nfs/dbraw/zinc/97/09/97/563970997.db2.gz OSNYCBXQOWAYHZ-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN Cc1ccc(C)c(/N=C\c2cccc(OCc3ccccc3F)c2)c1 ZINC000409202137 257874739 /nfs/dbraw/zinc/87/47/39/257874739.db2.gz PEVMEGOWTHJXBK-OYKKKHCWSA-N 0 0 333.406 5.772 40 30 EKEBRN Cc1cccc(/N=C/c2ccc(OCc3ccc(F)cc3)cc2)c1C ZINC000409202221 563971011 /nfs/dbraw/zinc/97/10/11/563971011.db2.gz QHXZNJUKVUZLIE-ZVHZXABRSA-N 0 0 333.406 5.772 40 30 EKEBRN COc1cc(/C=N/c2ccc(C)cc2)ccc1OCc1ccc(C)cc1 ZINC000409202289 564011038 /nfs/dbraw/zinc/01/10/38/564011038.db2.gz QUHKFWSPGZTBOR-BUVRLJJBSA-N 0 0 345.442 5.642 40 30 EKEBRN Cc1ccc(COc2ccc(/C=N/c3ccc(C)cc3)cc2Cl)cc1 ZINC000409202293 563970983 /nfs/dbraw/zinc/97/09/83/563970983.db2.gz QVQAKGMLCHDBAD-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN COc1ccc(/N=C/c2ccccc2OCc2ccc(C)cc2)cc1 ZINC000409202296 563971013 /nfs/dbraw/zinc/97/10/13/563971013.db2.gz QWNYZTNGKXZIAB-HZHRSRAPSA-N 0 0 331.415 5.333 40 30 EKEBRN Cc1ccc(COc2ccc(/C=N/c3cc(Cl)ccc3C)cc2)cc1 ZINC000409202339 563970962 /nfs/dbraw/zinc/97/09/62/563970962.db2.gz RTONGVGSOYOVTO-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN CCc1cccc2c(C#N)cn(Cc3ccc(Cl)c(Cl)c3)c21 ZINC000409202372 563970979 /nfs/dbraw/zinc/97/09/79/563970979.db2.gz RRAIINLJWHINAT-UHFFFAOYSA-N 0 0 329.230 5.430 40 30 EKEBRN C#CCOc1cccc(/C=N\c2ccc(Oc3ccccc3)cc2)c1 ZINC000409202635 563970955 /nfs/dbraw/zinc/97/09/55/563970955.db2.gz SLKVJIHCSUMJLI-QJOMJCCJSA-N 0 0 327.383 5.242 40 30 EKEBRN Cc1cccc(/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)c1C ZINC000409202650 564011055 /nfs/dbraw/zinc/01/10/55/564011055.db2.gz SLGBWVJODMESQB-OYKKKHCWSA-N 0 0 349.861 6.286 40 30 EKEBRN Cc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)cc2)cc1C ZINC000409202686 257875055 /nfs/dbraw/zinc/87/50/55/257875055.db2.gz SPVQHJLAZYNCOO-ZVHZXABRSA-N 0 0 333.406 5.772 40 30 EKEBRN Cc1ccccc1/C=N\c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000409202716 563970951 /nfs/dbraw/zinc/97/09/51/563970951.db2.gz UHDXSHIVJWWSDZ-GEWRUKCFSA-N 0 0 336.504 5.830 40 30 EKEBRN Fc1ccccc1COc1ccc(Cl)cc1/C=N/c1ccccc1 ZINC000409202718 563970956 /nfs/dbraw/zinc/97/09/56/563970956.db2.gz UIOBXHXGEIIAJG-YDZHTSKRSA-N 0 0 339.797 5.809 40 30 EKEBRN Cc1cccc(/N=C\c2cccc(OCc3ccccc3F)c2)c1C ZINC000409202761 563971005 /nfs/dbraw/zinc/97/10/05/563971005.db2.gz UPADXAWVAVTWMD-OYKKKHCWSA-N 0 0 333.406 5.772 40 30 EKEBRN Cc1ccc(Cl)cc1/N=C\c1cccc(OCc2ccccc2)c1 ZINC000409202800 564011058 /nfs/dbraw/zinc/01/10/58/564011058.db2.gz SILUVTMJNRDBDF-UCQKPKSFSA-N 0 0 335.834 5.978 40 30 EKEBRN Fc1cccc(COc2ccc(/C=N/c3ccccc3)cc2Cl)c1 ZINC000409202895 564011063 /nfs/dbraw/zinc/01/10/63/564011063.db2.gz VCWVQADCGPTGNA-YDZHTSKRSA-N 0 0 339.797 5.809 40 30 EKEBRN Brc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)o1 ZINC000409202962 564011059 /nfs/dbraw/zinc/01/10/59/564011059.db2.gz TXMNOCARLRJHIQ-XDHOZWIPSA-N 0 0 342.192 5.585 40 30 EKEBRN Cc1ccc(COc2ccc(/C=N/c3cccc(Cl)c3C)cc2)cc1 ZINC000409203193 563971036 /nfs/dbraw/zinc/97/10/36/563971036.db2.gz UZCBNMXLIWFUTE-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN Cc1cccc(/N=C\c2cccc(OCc3cccc(F)c3)c2)c1C ZINC000409203279 564011061 /nfs/dbraw/zinc/01/10/61/564011061.db2.gz VFNDLHKBXCMVJR-OYKKKHCWSA-N 0 0 333.406 5.772 40 30 EKEBRN Cc1ccccc1/N=C\c1cccc(OCc2ccccc2Cl)c1 ZINC000409203492 563971052 /nfs/dbraw/zinc/97/10/52/563971052.db2.gz YGJULLVNEBDGGO-UCQKPKSFSA-N 0 0 335.834 5.978 40 30 EKEBRN C#CCOc1ccc2ccccc2c1/C=N/c1cc(Cl)ccc1C ZINC000409203665 564011047 /nfs/dbraw/zinc/01/10/47/564011047.db2.gz ZVXNRCFLYZCIEL-OEAKJJBVSA-N 0 0 333.818 5.564 40 30 EKEBRN Cc1cccc(/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c1C ZINC000409203693 257874779 /nfs/dbraw/zinc/87/47/79/257874779.db2.gz XGGHNUNSPBUQOG-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 ZINC000409203758 257874786 /nfs/dbraw/zinc/87/47/86/257874786.db2.gz XUZLCZYWHNWCDT-OEAKJJBVSA-N 0 0 335.834 5.978 40 30 EKEBRN C=CCOc1c(Cl)cc(CNc2ccc(F)cc2)cc1Cl ZINC000409205919 564011076 /nfs/dbraw/zinc/01/10/76/564011076.db2.gz RBCGLRJQIRBXEH-UHFFFAOYSA-N 0 0 326.198 5.309 40 30 EKEBRN CCc1cccc2c(C#N)cn(CCCOc3cc(C)ccc3C)c21 ZINC000409206267 257875037 /nfs/dbraw/zinc/87/50/37/257875037.db2.gz SIUFTZRTUIPKHF-UHFFFAOYSA-N 0 0 332.447 5.161 40 30 EKEBRN C=CCOc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1Cl ZINC000409207092 563971082 /nfs/dbraw/zinc/97/10/82/563971082.db2.gz OTHNCCAPTGJNSA-UHFFFAOYSA-N 0 0 342.653 5.824 40 30 EKEBRN C=CCOc1ccc(Cl)cc1CNc1ccc(Cl)c(Cl)c1 ZINC000409207372 564010989 /nfs/dbraw/zinc/01/09/89/564010989.db2.gz SWIPSRVAWNOYPX-UHFFFAOYSA-N 0 0 342.653 5.824 40 30 EKEBRN Cc1ccc(/N=C\c2cccc(OCc3ccc(F)cc3)c2)c(C)c1 ZINC000409207881 563971097 /nfs/dbraw/zinc/97/10/97/563971097.db2.gz BWOWWBUFGKWZAL-OYKKKHCWSA-N 0 0 333.406 5.772 40 30 EKEBRN Cc1cccc(/N=C/c2ccccc2OCc2ccc(F)cc2)c1C ZINC000409207917 564010996 /nfs/dbraw/zinc/01/09/96/564010996.db2.gz CNXCGTQVOBMHAH-ZVHZXABRSA-N 0 0 333.406 5.772 40 30 EKEBRN Cc1ccc(/N=C/c2ccccc2OCc2cccc(F)c2)cc1C ZINC000409208043 563971083 /nfs/dbraw/zinc/97/10/83/563971083.db2.gz AJYDTEPPNSMCEN-ZVHZXABRSA-N 0 0 333.406 5.772 40 30 EKEBRN Cc1ccc(/N=C\c2cccc(OCc3cccc(Cl)c3)c2)c(C)c1 ZINC000409208250 563971078 /nfs/dbraw/zinc/97/10/78/563971078.db2.gz BKGPIZIONFYBFE-OYKKKHCWSA-N 0 0 349.861 6.286 40 30 EKEBRN CCc1ccc(/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)cc1 ZINC000409208394 563971090 /nfs/dbraw/zinc/97/10/90/563971090.db2.gz FSCDPNMYZLAPIJ-IWIPYMOSSA-N 0 0 349.861 6.232 40 30 EKEBRN COc1cc(/C=N/c2ccccc2)ccc1OCc1ccc(C)cc1 ZINC000409208417 563971094 /nfs/dbraw/zinc/97/10/94/563971094.db2.gz BWLNKJNIJPQVFI-HZHRSRAPSA-N 0 0 331.415 5.333 40 30 EKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1C ZINC000409208453 564011031 /nfs/dbraw/zinc/01/10/31/564011031.db2.gz FZPIEMPTKZNYSF-ZVHZXABRSA-N 0 0 333.406 5.772 40 30 EKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C\c3cccc(F)c3)sc2C1 ZINC000409208635 563971096 /nfs/dbraw/zinc/97/10/96/563971096.db2.gz DBTUSGQRFZYLDT-GKGMIHAQSA-N 0 0 340.467 5.660 40 30 EKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C\c3cccc(F)c3)sc2C1 ZINC000409208637 257874364 /nfs/dbraw/zinc/87/43/64/257874364.db2.gz DBTUSGQRFZYLDT-IIHGDPFSSA-N 0 0 340.467 5.660 40 30 EKEBRN Cc1ccc(/N=C/c2ccccc2OCc2ccccc2)cc1Cl ZINC000409208706 563971075 /nfs/dbraw/zinc/97/10/75/563971075.db2.gz CIMJERRQKOCCSV-OEAKJJBVSA-N 0 0 335.834 5.978 40 30 EKEBRN Cc1ccc(/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)cc1 ZINC000409208741 563971073 /nfs/dbraw/zinc/97/10/73/563971073.db2.gz DABHUHQYNRQKJJ-UCQKPKSFSA-N 0 0 335.834 5.978 40 30 EKEBRN COc1ccc(Br)cc1/C=N/c1cc(Cl)ccc1C ZINC000409208762 564011016 /nfs/dbraw/zinc/01/10/16/564011016.db2.gz BXXQNZRTWIWNLC-GIJQJNRQSA-N 0 0 338.632 5.170 40 30 EKEBRN Cc1ccc(COc2ccc(/C=N/c3cccc(C)c3C)cc2)cc1 ZINC000409208822 564011014 /nfs/dbraw/zinc/01/10/14/564011014.db2.gz DNIOTLPZHMJIIN-BUVRLJJBSA-N 0 0 329.443 5.941 40 30 EKEBRN Cc1ccc(COc2ccccc2/C=N/c2ccc(C)c(Cl)c2)cc1 ZINC000409208919 257874329 /nfs/dbraw/zinc/87/43/29/257874329.db2.gz DFTHELIIPVIKSL-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN Fc1ccccc1COc1ccc(/C=N/c2ccccc2)cc1Cl ZINC000409208933 563971119 /nfs/dbraw/zinc/97/11/19/563971119.db2.gz AVYHVHNIALJQSH-YDZHTSKRSA-N 0 0 339.797 5.809 40 30 EKEBRN Cc1ccc(/N=C\c2cccc(OCc3ccccc3Cl)c2)cc1C ZINC000409209081 257874287 /nfs/dbraw/zinc/87/42/87/257874287.db2.gz FMPGSMIWVGHCPJ-OYKKKHCWSA-N 0 0 349.861 6.286 40 30 EKEBRN CCc1ccc(/N=C\c2cccc(OCc3ccc(C)cc3)c2)cc1 ZINC000409209205 257874369 /nfs/dbraw/zinc/87/43/69/257874369.db2.gz GLZSRBIQXKLQPB-JLPGSUDCSA-N 0 0 329.443 5.887 40 30 EKEBRN Fc1cccc(COc2ccc(Cl)cc2/C=N/c2ccccc2)c1 ZINC000409209290 257874551 /nfs/dbraw/zinc/87/45/51/257874551.db2.gz FFUQULFRQXHECU-YDZHTSKRSA-N 0 0 339.797 5.809 40 30 EKEBRN C=CCOc1ccc(/C=N/c2cccc(C)c2C)cc1Br ZINC000409209481 564011004 /nfs/dbraw/zinc/01/10/04/564011004.db2.gz FSKINIRVTGWTQB-UDWIEESQSA-N 0 0 344.252 5.381 40 30 EKEBRN Cc1ccc(/N=C/c2ccccc2OCc2ccccc2Cl)cc1C ZINC000409209518 564011029 /nfs/dbraw/zinc/01/10/29/564011029.db2.gz CCBFGMPYWAJODX-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN COc1ccc(Br)cc1/C=N/c1ccc(C)c(Cl)c1 ZINC000409209736 564011080 /nfs/dbraw/zinc/01/10/80/564011080.db2.gz IELFCZBUYVFKSQ-GIJQJNRQSA-N 0 0 338.632 5.170 40 30 EKEBRN Cc1ccc(/N=C\c2cccc(OCc3cccc(Cl)c3)c2)cc1C ZINC000409209889 564011093 /nfs/dbraw/zinc/01/10/93/564011093.db2.gz JPXPGOADJHXIHW-OYKKKHCWSA-N 0 0 349.861 6.286 40 30 EKEBRN Cc1ccc(COc2ccc(/C=N/c3ccc(C)cc3C)cc2)cc1 ZINC000409210101 564011070 /nfs/dbraw/zinc/01/10/70/564011070.db2.gz DPVRRALQOZBHOO-BUVRLJJBSA-N 0 0 329.443 5.941 40 30 EKEBRN Cc1ccc(COc2ccc(/C=N/c3ccc(C)c(Cl)c3)cc2)cc1 ZINC000409210151 563971114 /nfs/dbraw/zinc/97/11/14/563971114.db2.gz FGBMIAXLSAKODZ-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN COc1c(Cl)cc(/C=N/c2ccc(C)c(Cl)c2)cc1Cl ZINC000409210364 257874293 /nfs/dbraw/zinc/87/42/93/257874293.db2.gz KAKZWIARCQJIPR-UFWORHAWSA-N 0 0 328.626 5.714 40 30 EKEBRN Fc1ccc(COc2ccc(Cl)cc2/C=N/c2ccccc2)cc1 ZINC000409210451 563971129 /nfs/dbraw/zinc/97/11/29/563971129.db2.gz ISEXDEOWSLHADB-YDZHTSKRSA-N 0 0 339.797 5.809 40 30 EKEBRN Cc1cccc(/N=C/c2ccc(OCc3ccccc3)c(Cl)c2)c1C ZINC000409210494 564011095 /nfs/dbraw/zinc/01/10/95/564011095.db2.gz KMVKCVBGVOVRSK-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN Cc1ccc(COc2ccc(/C=N/c3ccccc3)cc2Cl)cc1 ZINC000409210777 564011108 /nfs/dbraw/zinc/01/11/08/564011108.db2.gz LCUKIHHPBBOQDS-OEAKJJBVSA-N 0 0 335.834 5.978 40 30 EKEBRN Cc1ccc(/N=C\c2cccc(OCc3ccccc3F)c2)c(C)c1 ZINC000409210881 564011114 /nfs/dbraw/zinc/01/11/14/564011114.db2.gz HJRVMKWEAJTFOG-OYKKKHCWSA-N 0 0 333.406 5.772 40 30 EKEBRN COc1cc(/C=N/c2ccccc2C)ccc1OCc1ccc(C)cc1 ZINC000409210993 563971107 /nfs/dbraw/zinc/97/11/07/563971107.db2.gz LJHQMZGWWSCELC-BUVRLJJBSA-N 0 0 345.442 5.642 40 30 EKEBRN Cc1ccc(COc2ccccc2/C=N/c2cccc(Cl)c2C)cc1 ZINC000409211092 563971131 /nfs/dbraw/zinc/97/11/31/563971131.db2.gz MUNNFJUORQGCGS-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN Cc1ccc(COc2cccc(/C=N\c3ccc(C)cc3C)c2)cc1 ZINC000409211172 563971099 /nfs/dbraw/zinc/97/10/99/563971099.db2.gz MZKZXRHNHBJMJB-IWIPYMOSSA-N 0 0 329.443 5.941 40 30 EKEBRN Cc1ccc(/N=C/c2ccccc2OCc2ccc(F)cc2)cc1C ZINC000409211248 563971108 /nfs/dbraw/zinc/97/11/08/563971108.db2.gz IITFKIHMAKBNGJ-ZVHZXABRSA-N 0 0 333.406 5.772 40 30 EKEBRN C#CCOc1c(Cl)cc(/C=N/c2cccc(C)c2C)cc1Cl ZINC000409211288 564011118 /nfs/dbraw/zinc/01/11/18/564011118.db2.gz MVYYIBJVCURNCY-SRZZPIQSSA-N 0 0 332.230 5.373 40 30 EKEBRN Cc1ccc(/N=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000409211340 564011113 /nfs/dbraw/zinc/01/11/13/564011113.db2.gz MYZJWQUYXXIRCK-HMAPJEAMSA-N 0 0 346.386 5.233 40 30 EKEBRN Cc1ccc(COc2ccccc2/C=N/c2cc(C)ccc2C)cc1 ZINC000409211364 257874319 /nfs/dbraw/zinc/87/43/19/257874319.db2.gz MZEHPXSQGYBFRZ-BUVRLJJBSA-N 0 0 329.443 5.941 40 30 EKEBRN Cc1ccc(/N=C\c2cccc(OCc3ccc(F)cc3)c2)cc1C ZINC000409211447 563971160 /nfs/dbraw/zinc/97/11/60/563971160.db2.gz NVGKGZZACUYKGC-OYKKKHCWSA-N 0 0 333.406 5.772 40 30 EKEBRN Cc1ccc(COc2ccc(Cl)cc2/C=N/c2ccc(C)cc2)cc1 ZINC000409211457 564011122 /nfs/dbraw/zinc/01/11/22/564011122.db2.gz NSPWIJVSYLADLN-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN CCc1ccc(/N=C\c2cccc(OCc3cccc(F)c3)c2)cc1 ZINC000409211690 564011097 /nfs/dbraw/zinc/01/10/97/564011097.db2.gz MTHDFGPGTFPRRM-IWIPYMOSSA-N 0 0 333.406 5.718 40 30 EKEBRN Cc1cccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c1C ZINC000409211735 563971149 /nfs/dbraw/zinc/97/11/49/563971149.db2.gz MWSGTXMSOVIECG-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN Cc1ccc(COc2ccccc2/C=N/c2ccc(C)c(C)c2)cc1 ZINC000409211755 563971150 /nfs/dbraw/zinc/97/11/50/563971150.db2.gz ODBZTRRPVKBXAH-BUVRLJJBSA-N 0 0 329.443 5.941 40 30 EKEBRN Cc1cccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2)c1C ZINC000409211777 564011109 /nfs/dbraw/zinc/01/11/09/564011109.db2.gz OEELURUWSRHJAY-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN COc1ccc(/N=C\c2cccc(OCc3ccccc3F)c2)cc1 ZINC000409211827 564011115 /nfs/dbraw/zinc/01/11/15/564011115.db2.gz NEWWQBRNTRPFAL-UCQKPKSFSA-N 0 0 335.378 5.164 40 30 EKEBRN Cc1cccc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)n1 ZINC000409211977 257874365 /nfs/dbraw/zinc/87/43/65/257874365.db2.gz PLEOKJCKVGGQAR-JCRYTKJOSA-N 0 0 337.492 5.225 40 30 EKEBRN Cc1cccc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)n1 ZINC000409211980 564011105 /nfs/dbraw/zinc/01/11/05/564011105.db2.gz PLEOKJCKVGGQAR-ZDXHCBJDSA-N 0 0 337.492 5.225 40 30 EKEBRN CCOc1ccc(/N=C\c2cccc(OCc3ccccc3)c2)cc1 ZINC000409212046 563971126 /nfs/dbraw/zinc/97/11/26/563971126.db2.gz PIYJXAVVRPFNTK-KQWNVCNZSA-N 0 0 331.415 5.415 40 30 EKEBRN Cc1ccc(/N=C\c2cccc(OCc3ccccc3)c2)cc1Cl ZINC000409212189 563971153 /nfs/dbraw/zinc/97/11/53/563971153.db2.gz PWZUTZKHOHWXAD-UCQKPKSFSA-N 0 0 335.834 5.978 40 30 EKEBRN Cc1ccc(/N=C\c2cccc(OCc3cccc(Cl)c3)c2)cc1 ZINC000409212249 564011123 /nfs/dbraw/zinc/01/11/23/564011123.db2.gz OGLZNPHJOYIMNX-UCQKPKSFSA-N 0 0 335.834 5.978 40 30 EKEBRN Cc1ccccc1/N=C\c1cccc(OCc2cccc(Cl)c2)c1 ZINC000409212263 563971154 /nfs/dbraw/zinc/97/11/54/563971154.db2.gz PFSZBKWVYKTQMI-UCQKPKSFSA-N 0 0 335.834 5.978 40 30 EKEBRN Cc1cccc(/N=C/c2ccccc2OCc2cccc(F)c2)c1C ZINC000409212268 563971157 /nfs/dbraw/zinc/97/11/57/563971157.db2.gz PGTJDYZGTKARSV-ZVHZXABRSA-N 0 0 333.406 5.772 40 30 EKEBRN CCc1ccc(/N=C\c2cccc(OCc3cccc(Cl)c3)c2)cc1 ZINC000409212460 564011112 /nfs/dbraw/zinc/01/11/12/564011112.db2.gz QGTPLPOVHKKJBP-IWIPYMOSSA-N 0 0 349.861 6.232 40 30 EKEBRN CCCOc1cccc(/C=N\c2ccc(Oc3ccccc3)cc2)c1 ZINC000409212480 563971161 /nfs/dbraw/zinc/97/11/61/563971161.db2.gz QLAXJWNRGDZRBC-QJOMJCCJSA-N 0 0 331.415 6.018 40 30 EKEBRN COc1ccc(/N=C/c2ccc(OCc3ccc(C)cc3)cc2)cc1 ZINC000409212592 564011124 /nfs/dbraw/zinc/01/11/24/564011124.db2.gz REUZRYJYLBXMME-HZHRSRAPSA-N 0 0 331.415 5.333 40 30 EKEBRN Cc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1C ZINC000409212641 564011117 /nfs/dbraw/zinc/01/11/17/564011117.db2.gz REGKKBZJPYBADW-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN COc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1ccccc1 ZINC000409212720 563971162 /nfs/dbraw/zinc/97/11/62/563971162.db2.gz PXISHWVHXPNPEA-BUVRLJJBSA-N 0 0 345.442 5.642 40 30 EKEBRN Fc1ccc(COc2ccc(/C=N/c3ccccc3)cc2Cl)cc1 ZINC000409213038 564011107 /nfs/dbraw/zinc/01/11/07/564011107.db2.gz SBUNTJJJPWUAIU-YDZHTSKRSA-N 0 0 339.797 5.809 40 30 EKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C\c3ccc(C#N)cc3)sc2C1 ZINC000409213041 564011127 /nfs/dbraw/zinc/01/11/27/564011127.db2.gz SARHKSUGVMRSJO-ACMDDDSKSA-N 0 0 347.487 5.393 40 30 EKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C\c3ccc(C#N)cc3)sc2C1 ZINC000409213048 564011119 /nfs/dbraw/zinc/01/11/19/564011119.db2.gz SARHKSUGVMRSJO-XLFQKYORSA-N 0 0 347.487 5.393 40 30 EKEBRN C#CCOc1c(Cl)cc(/C=N/c2cc(Cl)ccc2C)cc1OC ZINC000409213089 563971151 /nfs/dbraw/zinc/97/11/51/563971151.db2.gz SFXHKTKBWANBOD-SRZZPIQSSA-N 0 0 348.229 5.073 40 30 EKEBRN Cc1ccc(COc2ccccc2/C=N/c2ccc(C)cc2C)cc1 ZINC000409213126 257874284 /nfs/dbraw/zinc/87/42/84/257874284.db2.gz SOHQELBNARCBOO-BUVRLJJBSA-N 0 0 329.443 5.941 40 30 EKEBRN C=CCOc1ccc2ccccc2c1/C=N/c1ccc(C)c(Cl)c1 ZINC000409213223 563971164 /nfs/dbraw/zinc/97/11/64/563971164.db2.gz SUHHPOYMHXXABW-OEAKJJBVSA-N 0 0 335.834 6.117 40 30 EKEBRN Cc1ccc(COc2ccc(/C=N/c3ccccc3C)cc2Cl)cc1 ZINC000409213327 257874486 /nfs/dbraw/zinc/87/44/86/257874486.db2.gz SIUNTAKKCZARPR-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN Cc1cccc(/N=C/c2ccc(OCc3ccccc3F)cc2)c1C ZINC000409213357 564011126 /nfs/dbraw/zinc/01/11/26/564011126.db2.gz SWVAPTKEJOIGDA-ZVHZXABRSA-N 0 0 333.406 5.772 40 30 EKEBRN Cc1cccc(/N=C/c2ccc(OCc3ccccc3Cl)cc2)c1C ZINC000409213436 257874519 /nfs/dbraw/zinc/87/45/19/257874519.db2.gz VDIBYTNRJJYZFQ-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2)cc1C ZINC000409213472 564011144 /nfs/dbraw/zinc/01/11/44/564011144.db2.gz VVXBBHLBKRAOBP-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc(C)c(C)c2)cc1Cl ZINC000409213554 563971163 /nfs/dbraw/zinc/97/11/63/563971163.db2.gz PQXKBQRUPNAYDG-SRZZPIQSSA-N 0 0 334.246 5.926 40 30 EKEBRN Cc1ccc(/N=C/c2ccccc2OCc2cccc(Cl)c2)cc1C ZINC000409213885 564011148 /nfs/dbraw/zinc/01/11/48/564011148.db2.gz WBMZGUJWHMCUDI-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN C=CCOc1c(Cl)cc(/C=N/c2ccc(C)c(C)c2)cc1OC ZINC000409213920 563971137 /nfs/dbraw/zinc/97/11/37/563971137.db2.gz WFUPVENBQMDPGM-CIAFOILYSA-N 0 0 329.827 5.281 40 30 EKEBRN Cc1ccc(/N=C\c2cccc(OCc3cccc(F)c3)c2)cc1C ZINC000409213946 564011159 /nfs/dbraw/zinc/01/11/59/564011159.db2.gz UOGMLNIOPQMBKA-OYKKKHCWSA-N 0 0 333.406 5.772 40 30 EKEBRN C(=N/c1ccccc1)\c1ccccc1OCc1cccc2ccccc21 ZINC000409213979 257874302 /nfs/dbraw/zinc/87/43/02/257874302.db2.gz VSYJCGFUYPTKTM-KOEQRZSOSA-N 0 0 337.422 6.169 40 30 EKEBRN Cc1ccc(Cl)cc1/N=C/c1ccccc1OCc1ccccc1 ZINC000409214058 564011155 /nfs/dbraw/zinc/01/11/55/564011155.db2.gz XJEHJSQSGOSOBE-OEAKJJBVSA-N 0 0 335.834 5.978 40 30 EKEBRN CCOc1ccc(/N=C\c2cccc(OCc3ccc(F)cc3)c2)cc1 ZINC000409214257 564011154 /nfs/dbraw/zinc/01/11/54/564011154.db2.gz RUNZMLGNTUJYPN-IWIPYMOSSA-N 0 0 349.405 5.554 40 30 EKEBRN C(=N\c1ccccc1)\c1cccc(OCc2cccc3ccccc32)c1 ZINC000409214406 563971139 /nfs/dbraw/zinc/97/11/39/563971139.db2.gz XHIPUTIHLDONAQ-UQQQWYQISA-N 0 0 337.422 6.169 40 30 EKEBRN C=CCOc1ccc(Br)cc1/C=N/c1cccc(C)c1C ZINC000409214485 257874441 /nfs/dbraw/zinc/87/44/41/257874441.db2.gz XSYBIGFLOBGSIO-UDWIEESQSA-N 0 0 344.252 5.381 40 30 EKEBRN Cc1ccc(/N=C\c2cccc(OCc3ccccc3Cl)c2)cc1 ZINC000409214642 563971197 /nfs/dbraw/zinc/97/11/97/563971197.db2.gz YXPKNFPFIGKUBV-UCQKPKSFSA-N 0 0 335.834 5.978 40 30 EKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccccc3)c(Cl)c2)cc1C ZINC000409214648 563971167 /nfs/dbraw/zinc/97/11/67/563971167.db2.gz ZBJGAPSXWSYLHS-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN C=CCOc1cccc(/C=N\c2ccc(Oc3ccccc3)cc2)c1 ZINC000409214705 563971177 /nfs/dbraw/zinc/97/11/77/563971177.db2.gz XUGBDPNHZBKHFS-QJOMJCCJSA-N 0 0 329.399 5.794 40 30 EKEBRN Cc1ccc(/N=C\c2cccc(OCc3cccc(F)c3)c2)c(C)c1 ZINC000409214859 563971190 /nfs/dbraw/zinc/97/11/90/563971190.db2.gz YNTGRUACFPQRGL-OYKKKHCWSA-N 0 0 333.406 5.772 40 30 EKEBRN COc1ccc(/N=C\c2cccc(OCc3cccc(F)c3)c2)cc1 ZINC000409214914 563971186 /nfs/dbraw/zinc/97/11/86/563971186.db2.gz ZPZSCKDFGNJGCF-UCQKPKSFSA-N 0 0 335.378 5.164 40 30 EKEBRN Cc1ccccc1/N=C\c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000409215101 257874309 /nfs/dbraw/zinc/87/43/09/257874309.db2.gz ZTGINXSJVOUZDP-UCQKPKSFSA-N 0 0 335.834 5.978 40 30 EKEBRN C#CCOc1ccc2ccccc2c1/C=N/c1ccc(C)c(Cl)c1 ZINC000409215133 563971171 /nfs/dbraw/zinc/97/11/71/563971171.db2.gz WXONVOWSWAQMJP-OEAKJJBVSA-N 0 0 333.818 5.564 40 30 EKEBRN Cc1cccc(/N=C/c2ccccc2OCc2ccccc2Cl)c1C ZINC000409215170 563971185 /nfs/dbraw/zinc/97/11/85/563971185.db2.gz XUICYSJMXZORDK-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN CCOc1ccc(/N=C\c2cccc(OCc3cccc(F)c3)c2)cc1 ZINC000409215217 563971176 /nfs/dbraw/zinc/97/11/76/563971176.db2.gz YWRGBAWUTXFXBF-IWIPYMOSSA-N 0 0 349.405 5.554 40 30 EKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1Cl ZINC000409215228 564011136 /nfs/dbraw/zinc/01/11/36/564011136.db2.gz VSWCZSYPIPIOIC-OEAKJJBVSA-N 0 0 335.834 5.978 40 30 EKEBRN Cc1cccc(/N=C/c2ccccc2OCc2ccccc2F)c1C ZINC000409215433 563971201 /nfs/dbraw/zinc/97/12/01/563971201.db2.gz YQXQKZAXBCUYNM-ZVHZXABRSA-N 0 0 333.406 5.772 40 30 EKEBRN C#CCOc1c(Cl)cc(/C=N/c2ccc(C)c(C)c2)cc1Cl ZINC000409215498 564011142 /nfs/dbraw/zinc/01/11/42/564011142.db2.gz ZZSVTSCYTSHUDY-SRZZPIQSSA-N 0 0 332.230 5.373 40 30 EKEBRN Cc1cccc(/N=C\c2cccc(OCc3cccc(Cl)c3)c2)c1C ZINC000409215640 257874480 /nfs/dbraw/zinc/87/44/80/257874480.db2.gz CTVDJLIZLMOFSX-OYKKKHCWSA-N 0 0 349.861 6.286 40 30 EKEBRN Cc1ccc(COc2cccc(/C=N\c3cc(Cl)ccc3C)c2)cc1 ZINC000409215723 563971227 /nfs/dbraw/zinc/97/12/27/563971227.db2.gz AKYDJYZCTHFMFN-OYKKKHCWSA-N 0 0 349.861 6.286 40 30 EKEBRN CCOc1ccc(/N=C\c2cccc(OCc3ccc(C)cc3)c2)cc1 ZINC000409215728 564011141 /nfs/dbraw/zinc/01/11/41/564011141.db2.gz AMJKRPGVFOJQMX-JLPGSUDCSA-N 0 0 345.442 5.723 40 30 EKEBRN Cc1ccc(COc2ccccc2/C=N/c2cccc(C)c2C)cc1 ZINC000409215984 563971209 /nfs/dbraw/zinc/97/12/09/563971209.db2.gz HBXMBUMBGNQLKZ-BUVRLJJBSA-N 0 0 329.443 5.941 40 30 EKEBRN Cc1ccc(/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)cc1C ZINC000409216252 563971217 /nfs/dbraw/zinc/97/12/17/563971217.db2.gz GOHYHPZFPWJFRE-OYKKKHCWSA-N 0 0 349.861 6.286 40 30 EKEBRN C#CCOc1c(Cl)cc(/C=N/c2ccc(C)c(Cl)c2)cc1OC ZINC000409216365 564011145 /nfs/dbraw/zinc/01/11/45/564011145.db2.gz KJJDVHGNYPUKEF-SRZZPIQSSA-N 0 0 348.229 5.073 40 30 EKEBRN COc1ccc(/N=C\c2cccc(OCc3ccc(C)cc3)c2)cc1 ZINC000409216505 563971230 /nfs/dbraw/zinc/97/12/30/563971230.db2.gz IQUKIBIQNZQJSK-HAHDFKILSA-N 0 0 331.415 5.333 40 30 EKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1C ZINC000409216638 563971239 /nfs/dbraw/zinc/97/12/39/563971239.db2.gz MVCHJNNHROXEHM-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN Cc1ccc(COc2cccc(/C=N\c3ccc(C)c(Cl)c3)c2)cc1 ZINC000409216765 563971223 /nfs/dbraw/zinc/97/12/23/563971223.db2.gz LIUWUZOAEPLKLE-OYKKKHCWSA-N 0 0 349.861 6.286 40 30 EKEBRN Cc1ccc(COc2cccc(/C=N\c3cccc(C)c3C)c2)cc1 ZINC000409216868 563971212 /nfs/dbraw/zinc/97/12/12/563971212.db2.gz PDPMRCKRKVWXFK-IWIPYMOSSA-N 0 0 329.443 5.941 40 30 EKEBRN CCc1ccc(/N=C\c2cccc(OCc3ccccc3F)c2)cc1 ZINC000409216994 563971224 /nfs/dbraw/zinc/97/12/24/563971224.db2.gz MXWYDAOXNSZGOH-IWIPYMOSSA-N 0 0 333.406 5.718 40 30 EKEBRN Cc1cccc(/N=C/c2cc(Cl)ccc2OCc2ccccc2)c1C ZINC000409217021 257874359 /nfs/dbraw/zinc/87/43/59/257874359.db2.gz QVPGUFNWVKRDAM-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN Cc1ccc(COc2cccc(/C=N\c3cccc(Cl)c3C)c2)cc1 ZINC000409217142 564011130 /nfs/dbraw/zinc/01/11/30/564011130.db2.gz SMQKEFLYTRLOPR-OYKKKHCWSA-N 0 0 349.861 6.286 40 30 EKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C\c3ccccc3F)sc2C1 ZINC000409217285 563971222 /nfs/dbraw/zinc/97/12/22/563971222.db2.gz OQOXYWQXWKJORY-GKGMIHAQSA-N 0 0 340.467 5.660 40 30 EKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C\c3ccccc3F)sc2C1 ZINC000409217286 563971215 /nfs/dbraw/zinc/97/12/15/563971215.db2.gz OQOXYWQXWKJORY-IIHGDPFSSA-N 0 0 340.467 5.660 40 30 EKEBRN COc1ccc(/C=N/c2cc(Cl)ccc2C)cc1Br ZINC000409217299 563971240 /nfs/dbraw/zinc/97/12/40/563971240.db2.gz BFNWEFQQDVGMPQ-GIJQJNRQSA-N 0 0 338.632 5.170 40 30 EKEBRN Cc1ccc(/N=C\c2cccc(OCc3ccccc3Cl)c2)c(C)c1 ZINC000409217316 262505187 /nfs/dbraw/zinc/50/51/87/262505187.db2.gz OYVVNSUDFLJZLR-OYKKKHCWSA-N 0 0 349.861 6.286 40 30 EKEBRN C(=N/c1ccccc1)\c1ccc(OCc2cccc3ccccc32)cc1 ZINC000409217441 563971280 /nfs/dbraw/zinc/97/12/80/563971280.db2.gz UYXBKLBSCDQPSM-KOEQRZSOSA-N 0 0 337.422 6.169 40 30 EKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccccc3F)cc2)cc1C ZINC000409217454 262505031 /nfs/dbraw/zinc/50/50/31/262505031.db2.gz VLAFCKVANMLXNR-ZVHZXABRSA-N 0 0 333.406 5.772 40 30 EKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1C ZINC000409217602 262505100 /nfs/dbraw/zinc/50/51/00/262505100.db2.gz QOMKFDNQGIZWDO-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN Cc1ccc(COc2ccc(Cl)cc2/C=N/c2ccccc2C)cc1 ZINC000409217636 564011194 /nfs/dbraw/zinc/01/11/94/564011194.db2.gz RACQMSKGSGTPBI-ZVHZXABRSA-N 0 0 349.861 6.286 40 30 EKEBRN C=CCOc1c(Cl)cc(/C=N/c2cccc(C)c2C)cc1OC ZINC000409218017 563971276 /nfs/dbraw/zinc/97/12/76/563971276.db2.gz SCXHQCNUHUFMRG-CIAFOILYSA-N 0 0 329.827 5.281 40 30 EKEBRN C=CCOc1ccc(/C=N/c2ccc(C)c(C)c2)cc1Br ZINC000409218102 563971262 /nfs/dbraw/zinc/97/12/62/563971262.db2.gz YNFDSBRPGAXVEB-UDWIEESQSA-N 0 0 344.252 5.381 40 30 EKEBRN CCc1ccc(/N=C\c2cccc(OCc3ccc(F)cc3)c2)cc1 ZINC000409218457 262505065 /nfs/dbraw/zinc/50/50/65/262505065.db2.gz VHQOAPUKZYPYFJ-IWIPYMOSSA-N 0 0 333.406 5.718 40 30 EKEBRN Cc1ccc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)s1 ZINC000409218605 262505012 /nfs/dbraw/zinc/50/50/12/262505012.db2.gz WDFXGEFGMCNXJB-GMDDEGIZSA-N 0 0 342.533 5.891 40 30 EKEBRN Cc1ccc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)s1 ZINC000409218606 262505053 /nfs/dbraw/zinc/50/50/53/262505053.db2.gz WDFXGEFGMCNXJB-PJICWNCHSA-N 0 0 342.533 5.891 40 30 EKEBRN Cc1ccc(COc2cccc(/C=N\c3ccc(C)c(C)c3)c2)cc1 ZINC000409218684 564011171 /nfs/dbraw/zinc/01/11/71/564011171.db2.gz XJEZEOUNYCMOPO-IWIPYMOSSA-N 0 0 329.443 5.941 40 30 EKEBRN Cc1ccccc1/N=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000409218942 564011192 /nfs/dbraw/zinc/01/11/92/564011192.db2.gz YSLQVZYVNTZZFG-HMAPJEAMSA-N 0 0 346.386 5.233 40 30 EKEBRN COc1ccc(/N=C\c2cccc(OCc3ccc(F)cc3)c2)cc1 ZINC000409219083 564011181 /nfs/dbraw/zinc/01/11/81/564011181.db2.gz MYVPRWBXKPDHQW-UCQKPKSFSA-N 0 0 335.378 5.164 40 30 EKEBRN Cc1ccc(COc2ccc(/C=N/c3ccc(C)c(C)c3)cc2)cc1 ZINC000409219190 262505070 /nfs/dbraw/zinc/50/50/70/262505070.db2.gz NRGSOGLMRZLKDV-BUVRLJJBSA-N 0 0 329.443 5.941 40 30 EKEBRN Cc1c(Cl)cccc1/N=C\c1cccc(OCc2ccccc2)c1 ZINC000409219636 262505039 /nfs/dbraw/zinc/50/50/39/262505039.db2.gz SPYILEACHAGJGR-UCQKPKSFSA-N 0 0 335.834 5.978 40 30 EKEBRN CCCCc1ccc(/N=C/c2cc(C)n(-c3ccccn3)c2C)cc1 ZINC000409220464 563971484 /nfs/dbraw/zinc/97/14/84/563971484.db2.gz ABEAACMESWWMJG-LFVJCYFKSA-N 0 0 331.463 5.582 40 30 EKEBRN Cc1ccc(Sc2ccc(/C=N\c3cc(C)ccc3C)cc2)cc1 ZINC000409220703 563971455 /nfs/dbraw/zinc/97/14/55/563971455.db2.gz DPNIFFHKSIPKEL-HAHDFKILSA-N 0 0 331.484 6.514 40 30 EKEBRN Cc1ccc(Sc2ccc(/C=N/c3ccc(C#N)cc3)cc2)cc1 ZINC000409220917 564011218 /nfs/dbraw/zinc/01/12/18/564011218.db2.gz HSBKIBIQADZBTR-HZHRSRAPSA-N 0 0 328.440 5.769 40 30 EKEBRN COc1cc(N2CCCCC2)ccc1/C=N/c1cccc(Cl)c1C ZINC000409220954 563971470 /nfs/dbraw/zinc/97/14/70/563971470.db2.gz IITNPPRPDUFKIH-HYARGMPZSA-N 0 0 342.870 5.398 40 30 EKEBRN COc1cc(N2CCCCC2)ccc1/C=N\c1ccc2ccccc2c1 ZINC000409221523 564011210 /nfs/dbraw/zinc/01/12/10/564011210.db2.gz RMMZICRBHJVQKT-ULJHMMPZSA-N 0 0 344.458 5.589 40 30 EKEBRN Cc1ccc(Sc2ccc(/C=N\c3ccc(N(C)C)cc3)cc2)cc1 ZINC000409221581 564011212 /nfs/dbraw/zinc/01/12/12/564011212.db2.gz SHLATAZPSLZZCM-KQWNVCNZSA-N 0 0 346.499 5.963 40 30 EKEBRN CC[C@@H](C)c1ccc(/N=C/c2cc(C)n(-c3ccccn3)c2C)cc1 ZINC000409228714 564011163 /nfs/dbraw/zinc/01/11/63/564011163.db2.gz CYPRPPMMVKFKCI-DTVDJLOLSA-N 0 0 331.463 5.753 40 30 EKEBRN CC[C@H](C)c1ccc(/N=C/c2cc(C)n(-c3ccccn3)c2C)cc1 ZINC000409228715 563971942 /nfs/dbraw/zinc/97/19/42/563971942.db2.gz CYPRPPMMVKFKCI-WTJYETQFSA-N 0 0 331.463 5.753 40 30 EKEBRN COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(F)c(Cl)c1 ZINC000409228747 564011170 /nfs/dbraw/zinc/01/11/70/564011170.db2.gz DNBUFYNVVDSHMV-LPYMAVHISA-N 0 0 346.833 5.229 40 30 EKEBRN Cc1ccc(Sc2ccc(/C=N\c3ccc(Cl)cc3)cc2)cc1 ZINC000409229063 257874010 /nfs/dbraw/zinc/87/40/10/257874010.db2.gz JFIBUJJDIOHNRL-HMAPJEAMSA-N 0 0 337.875 6.550 40 30 EKEBRN Cc1ccc(Sc2ccc(/C=N\c3ccccc3Cl)cc2)cc1 ZINC000409229522 563971968 /nfs/dbraw/zinc/97/19/68/563971968.db2.gz QKUGSTYLQUQLNK-HMAPJEAMSA-N 0 0 337.875 6.550 40 30 EKEBRN COc1cc(N2CCCCC2)ccc1/C=N\c1ccc(Cl)cc1 ZINC000409230872 564011255 /nfs/dbraw/zinc/01/12/55/564011255.db2.gz GUTBGEMTZLNDJO-STZFKDTASA-N 0 0 328.843 5.090 40 30 EKEBRN Fc1cccc(Cn2ccc3cc(/C=N/c4ccccc4F)ccc32)c1 ZINC000409231090 563971972 /nfs/dbraw/zinc/97/19/72/563971972.db2.gz BINOSUKBZBIAPM-AFUMVMLFSA-N 0 0 346.380 5.718 40 30 EKEBRN COc1cc(N2CCCCC2)ccc1/C=N/c1cccc(Cl)c1 ZINC000409231441 564011263 /nfs/dbraw/zinc/01/12/63/564011263.db2.gz KGUVEQYBLMADLE-KGENOOAVSA-N 0 0 328.843 5.090 40 30 EKEBRN Fc1cccc(Cn2ccc3cc(/C=N\c4cccc(F)c4)ccc32)c1 ZINC000409231489 563972031 /nfs/dbraw/zinc/97/20/31/563972031.db2.gz JJVIIESSYSKLMF-QFEZKATASA-N 0 0 346.380 5.718 40 30 EKEBRN Cc1cc(/C=N\c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccccn1 ZINC000409232345 257873955 /nfs/dbraw/zinc/87/39/55/257873955.db2.gz OAITZOGMXFEMCZ-IWIPYMOSSA-N 0 0 331.463 5.537 40 30 EKEBRN COc1ccc(/N=C\c2ccc(Sc3ccc(C)cc3)cc2)cc1 ZINC000409232926 257873932 /nfs/dbraw/zinc/87/39/32/257873932.db2.gz TUDQQPIXHZSDLP-JCMHNJIXSA-N 0 0 333.456 5.905 40 30 EKEBRN Cc1ccc(Sc2ccc(/C=N/c3ccc(C(C)C)cc3)cc2)cc1 ZINC000409233101 563972911 /nfs/dbraw/zinc/97/29/11/563972911.db2.gz KEDZZBLWKFPUAD-LFVJCYFKSA-N 0 0 345.511 7.020 40 30 EKEBRN CCOc1ccccc1/N=C\c1ccc(Sc2ccc(C)cc2)cc1 ZINC000409234528 563973171 /nfs/dbraw/zinc/97/31/71/563973171.db2.gz NLUFGDUQLPIMLM-KQWNVCNZSA-N 0 0 347.483 6.296 40 30 EKEBRN COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(C)c(Cl)c1 ZINC000409236691 563973215 /nfs/dbraw/zinc/97/32/15/563973215.db2.gz GHMWFFWVHWMDAX-HYARGMPZSA-N 0 0 342.870 5.398 40 30 EKEBRN Cc1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 ZINC000409236846 563973216 /nfs/dbraw/zinc/97/32/16/563973216.db2.gz GGWNOXHRHJDHPA-MYYYXRDXSA-N 0 0 342.417 5.888 40 30 EKEBRN Cc1ccc(Sc2ccc(/C=N/c3ccc(C)c(C)c3)cc2)cc1 ZINC000409236920 257873770 /nfs/dbraw/zinc/87/37/70/257873770.db2.gz GXHVXYGOBZCFQD-HZHRSRAPSA-N 0 0 331.484 6.514 40 30 EKEBRN Cc1ccccc1/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1 ZINC000409238034 563973220 /nfs/dbraw/zinc/97/32/20/563973220.db2.gz JYFAAVQCPKOGAB-MFKUBSTISA-N 0 0 342.417 5.888 40 30 EKEBRN Cc1cccc(/N=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)c1 ZINC000409238148 563973217 /nfs/dbraw/zinc/97/32/17/563973217.db2.gz CIQPXHOCKPLNAX-MFKUBSTISA-N 0 0 342.417 5.888 40 30 EKEBRN Cc1ccc(Sc2ccc(/C=N\c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000409239657 563973197 /nfs/dbraw/zinc/97/31/97/563973197.db2.gz IAQOWKFNSZCXBL-STZFKDTASA-N 0 0 348.427 5.805 40 30 EKEBRN Cc1ccc(Sc2ccc(/C=N/c3ccc(F)cc3F)cc2)cc1 ZINC000409239669 563973196 /nfs/dbraw/zinc/97/31/96/563973196.db2.gz IFTRAVXVJXBJEX-YDZHTSKRSA-N 0 0 339.410 6.175 40 30 EKEBRN COc1cc(N2CCCCC2)ccc1/C=N/c1cc(Cl)ccc1C ZINC000409239801 563973219 /nfs/dbraw/zinc/97/32/19/563973219.db2.gz QOFKRFCBXSDGRY-HYARGMPZSA-N 0 0 342.870 5.398 40 30 EKEBRN COc1cc(N2CCCCC2)ccc1/C=N\c1ccccc1Cl ZINC000409239934 564011227 /nfs/dbraw/zinc/01/12/27/564011227.db2.gz OQXOBMVMTMVXKF-STZFKDTASA-N 0 0 328.843 5.090 40 30 EKEBRN COc1cccc(/N=C/c2ccc(Sc3ccc(C)cc3)cc2)c1 ZINC000409239975 563973214 /nfs/dbraw/zinc/97/32/14/563973214.db2.gz PAQFZTBXDLTGRY-PXLXIMEGSA-N 0 0 333.456 5.905 40 30 EKEBRN COc1cc(N2CCCCC2)ccc1/C=N/c1cccc2ccccc21 ZINC000409240063 563973203 /nfs/dbraw/zinc/97/32/03/563973203.db2.gz OEWPVTTUKXTBNI-JJIBRWJFSA-N 0 0 344.458 5.589 40 30 EKEBRN COc1ccccc1/N=C/c1ccc(Sc2ccc(C)cc2)cc1 ZINC000409240857 564011286 /nfs/dbraw/zinc/01/12/86/564011286.db2.gz QFVZFMLKTSVVNB-PXLXIMEGSA-N 0 0 333.456 5.905 40 30 EKEBRN Cc1cc(/C=N\c2ccc3ccccc3c2)c(C)n1-c1ccccn1 ZINC000409241240 563973221 /nfs/dbraw/zinc/97/32/21/563973221.db2.gz JRMOLQGJDYMHKW-IWIPYMOSSA-N 0 0 325.415 5.393 40 30 EKEBRN COc1ccc(/N=C\c2ccc(Sc3ccc(C)cc3)cc2)cn1 ZINC000409241310 257873389 /nfs/dbraw/zinc/87/33/89/257873389.db2.gz RAMSWVWAXNKHPS-BKUYFWCQSA-N 0 0 334.444 5.300 40 30 EKEBRN Cc1cc(/C=N/c2ccc(F)c(Cl)c2)c(C)n1-c1ccccn1 ZINC000409242282 257873405 /nfs/dbraw/zinc/87/34/05/257873405.db2.gz WPVYAFLHXXXYFA-SSDVNMTOSA-N 0 0 327.790 5.032 40 30 EKEBRN Cc1ccc(Sc2ccc(/C=N/c3ccc(F)c(C)c3)cc2)cc1 ZINC000409242354 257873460 /nfs/dbraw/zinc/87/34/60/257873460.db2.gz REOAMLYPKIJXOK-OEAKJJBVSA-N 0 0 335.447 6.344 40 30 EKEBRN Oc1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 ZINC000409242669 257873448 /nfs/dbraw/zinc/87/34/48/257873448.db2.gz SCLVJZYIFVOJSH-OYKKKHCWSA-N 0 0 344.389 5.285 40 30 EKEBRN CSc1ccccc1/N=C/c1ccc(Sc2ccc(C)cc2)cc1 ZINC000409243360 564011354 /nfs/dbraw/zinc/01/13/54/564011354.db2.gz YAXJWECALCNHJU-PXLXIMEGSA-N 0 0 349.524 6.619 40 30 EKEBRN Cc1ccc(Sc2ccc(/C=N/c3cccc(Cl)c3)cc2)cc1 ZINC000409243407 564011371 /nfs/dbraw/zinc/01/13/71/564011371.db2.gz YKKGOAJZGOZPQN-HYARGMPZSA-N 0 0 337.875 6.550 40 30 EKEBRN Cc1cc(/C=N\c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccccn1 ZINC000409243498 563973204 /nfs/dbraw/zinc/97/32/04/563973204.db2.gz XAEYBIGPDKCJRS-JJFYIABZSA-N 0 0 344.245 5.547 40 30 EKEBRN CCc1ccc(/N=C/c2ccc(Sc3ccc(C)cc3)cc2)cc1 ZINC000409243768 563973223 /nfs/dbraw/zinc/97/32/23/563973223.db2.gz YGWRJBVMRCEQGW-XQNSMLJCSA-N 0 0 331.484 6.459 40 30 EKEBRN Oc1ccccc1/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1 ZINC000409244784 564011292 /nfs/dbraw/zinc/01/12/92/564011292.db2.gz IRAFFBCZBZXFPU-ZVHZXABRSA-N 0 0 344.389 5.285 40 30 EKEBRN COc1cc(N2CCCCC2)ccc1/C=N/c1ccccc1SC ZINC000409245535 563973213 /nfs/dbraw/zinc/97/32/13/563973213.db2.gz VJKYFAYUWHKQRG-RCCKNPSSSA-N 0 0 340.492 5.158 40 30 EKEBRN Cc1cc(/C=N/c2cccc3ccccc32)c(C)n1-c1ccccn1 ZINC000409245653 563973201 /nfs/dbraw/zinc/97/32/01/563973201.db2.gz XBULBJOUQIQDAT-BUVRLJJBSA-N 0 0 325.415 5.393 40 30 EKEBRN Cc1ccc(Sc2ccc(/C=N\c3ccc4c(c3)OCO4)cc2)cc1 ZINC000409246092 563973211 /nfs/dbraw/zinc/97/32/11/563973211.db2.gz DSHVKONHAMAJDZ-XKZIYDEJSA-N 0 0 347.439 5.626 40 30 EKEBRN Oc1cccc(/N=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)c1 ZINC000409246174 563973277 /nfs/dbraw/zinc/97/32/77/563973277.db2.gz FZWIXYUMRQFEJO-ZVHZXABRSA-N 0 0 344.389 5.285 40 30 EKEBRN COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(C(C)C)cc1 ZINC000409247062 564011347 /nfs/dbraw/zinc/01/13/47/564011347.db2.gz BOWUYZAMUCPRSP-XQNSMLJCSA-N 0 0 336.479 5.560 40 30 EKEBRN Cc1ccc(Sc2ccc(/C=N\c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000409247279 563973254 /nfs/dbraw/zinc/97/32/54/563973254.db2.gz MABFKWJEFNFELE-STZFKDTASA-N 0 0 348.427 5.805 40 30 EKEBRN Cc1ccc(Sc2ccc(/C=N\c3ccc(C)cc3C)cc2)cc1 ZINC000409247660 564011350 /nfs/dbraw/zinc/01/13/50/564011350.db2.gz FJSWKVZSDASWGT-HAHDFKILSA-N 0 0 331.484 6.514 40 30 EKEBRN Fc1cccc(Cn2ccc3cc(/C=N\c4ccccc4)ccc32)c1 ZINC000409247780 564011334 /nfs/dbraw/zinc/01/13/34/564011334.db2.gz NUZSFKQMKZCPDR-IWIPYMOSSA-N 0 0 328.390 5.579 40 30 EKEBRN CCN(CC)c1ccc(/N=C/c2cc(C)n(-c3ccccn3)c2C)cc1 ZINC000409248413 563973272 /nfs/dbraw/zinc/97/32/72/563973272.db2.gz KDWPWBVJGVUQQT-LFVJCYFKSA-N 0 0 346.478 5.086 40 30 EKEBRN Fc1cccc(Cn2ccc3cc(C=NNc4ccccc4)ccc32)c1 ZINC000409249063 564011327 /nfs/dbraw/zinc/01/13/27/564011327.db2.gz RYPFLQSOEFQMPL-IWIPYMOSSA-N 0 0 343.405 5.275 40 30 EKEBRN Cc1cc(/C=N\c2ccc(Cl)cc2Cl)c(C)n1-c1ccccn1 ZINC000409249261 564011346 /nfs/dbraw/zinc/01/13/46/564011346.db2.gz SVEGZUUMQYHMTC-JJFYIABZSA-N 0 0 344.245 5.547 40 30 EKEBRN Fc1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 ZINC000409250717 564011343 /nfs/dbraw/zinc/01/13/43/564011343.db2.gz RURPXNOTKFEBRT-QFEZKATASA-N 0 0 346.380 5.718 40 30 EKEBRN CC(=O)c1ccc(N=Cc2ccc(Sc3ccc(C)cc3)cc2)cc1 ZINC000409251398 257873314 /nfs/dbraw/zinc/87/33/14/257873314.db2.gz PYQIJISUVKZLEE-HZHRSRAPSA-N 0 0 345.467 6.099 40 30 EKEBRN Cc1cc(/C=N\c2cccc(Cl)c2Cl)c(C)n1-c1ccccn1 ZINC000409251630 564011382 /nfs/dbraw/zinc/01/13/82/564011382.db2.gz VCHPOKFDQUXERT-JJFYIABZSA-N 0 0 344.245 5.547 40 30 EKEBRN Cc1ccc(-c2ccc(/C=N/c3ccccc3)o2)c(Br)c1 ZINC000409251801 563973263 /nfs/dbraw/zinc/97/32/63/563973263.db2.gz WHSYOVMDEIJRAN-UDWIEESQSA-N 0 0 340.220 5.768 40 30 EKEBRN CCCOc1ccc2ccccc2c1/C=C1/Sc2ccccc2C1=O ZINC000409317336 563974140 /nfs/dbraw/zinc/97/41/40/563974140.db2.gz PAUYWMSDEVRNNX-KGENOOAVSA-N 0 0 346.451 5.958 40 30 EKEBRN O=C1c2ccccc2S/C1=C/c1ccc(Sc2ccccc2)o1 ZINC000409321523 563974211 /nfs/dbraw/zinc/97/42/11/563974211.db2.gz TURVWIBRJDIPJX-SFQUDFHCSA-N 0 0 336.437 5.760 40 30 EKEBRN N#Cc1ccccc1-c1ccc(/C=C2\Sc3ccccc3C2=O)o1 ZINC000409326619 564011720 /nfs/dbraw/zinc/01/17/20/564011720.db2.gz MLHSDAIMVGMAID-ODLFYWEKSA-N 0 0 329.380 5.148 40 30 EKEBRN O=C(C=CNc1ccc(N=Nc2ccccc2)cc1)c1cccs1 ZINC000409345761 564011844 /nfs/dbraw/zinc/01/18/44/564011844.db2.gz NOOMOLQEXCPLGN-UJJFELKWSA-N 0 0 333.416 5.972 40 30 EKEBRN CC(=CC(=O)c1ccc(C)o1)Nc1ccc(Oc2ccccc2)cc1 ZINC000409351775 564011873 /nfs/dbraw/zinc/01/18/73/564011873.db2.gz WPBQDACCZUSDKF-CCEZHUSRSA-N 0 0 333.387 5.579 40 30 EKEBRN CCCCCc1ccc(C(=O)C=CNc2cccc(Cl)c2)cc1 ZINC000409355240 563975027 /nfs/dbraw/zinc/97/50/27/563975027.db2.gz BWHCNQSIAVGWOJ-BUHFOSPRSA-N 0 0 327.855 5.881 40 30 EKEBRN CC(=CC(=O)c1ccc(C)o1)Nc1ccccc1Oc1ccccc1 ZINC000409355528 563975013 /nfs/dbraw/zinc/97/50/13/563975013.db2.gz DFYVJYLLYIWZLI-CCEZHUSRSA-N 0 0 333.387 5.579 40 30 EKEBRN Cc1ccc(N=Nc2ccc(NC=CC(=O)c3cccs3)cc2)cc1 ZINC000409355902 257872394 /nfs/dbraw/zinc/87/23/94/257872394.db2.gz FGYDUSFZUCRYNL-PZFGMSNSSA-N 0 0 347.443 6.280 40 30 EKEBRN CCCCCc1ccc(C(=O)C=CNc2ccc(Cl)cc2)cc1 ZINC000409356643 564011861 /nfs/dbraw/zinc/01/18/61/564011861.db2.gz GUHYVUQGZJGMES-CCEZHUSRSA-N 0 0 327.855 5.881 40 30 EKEBRN Cc1ccc(N=Nc2ccc(NC=C3CCCCCC3=O)cc2)cc1 ZINC000409358835 257872405 /nfs/dbraw/zinc/87/24/05/257872405.db2.gz LODGJWGMPHRJOC-IWRSFNRFSA-N 0 0 333.435 6.239 40 30 EKEBRN CC(=CC(=O)c1ccc(C)o1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000409359148 257872479 /nfs/dbraw/zinc/87/24/79/257872479.db2.gz WEUQJUOQUDRPAS-VQHVLOKHSA-N 0 0 343.732 5.459 40 30 EKEBRN O=C(C1=C(O)C(=Cc2ccccc2Cl)CCCC1)C(F)(F)F ZINC000409359156 563975062 /nfs/dbraw/zinc/97/50/62/563975062.db2.gz WHHWMOFTMISJAE-HTQMBMLDSA-N 0 0 330.733 5.241 40 30 EKEBRN CCOc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OC(F)F ZINC000409360560 563975065 /nfs/dbraw/zinc/97/50/65/563975065.db2.gz QEUNWFNGALPWMI-MHWRWJLKSA-N 0 0 348.370 5.016 40 30 EKEBRN CC(=CC(=O)c1ccc(C)o1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000409363271 563975049 /nfs/dbraw/zinc/97/50/49/563975049.db2.gz VIUJMYMKVGPYSG-FVHOMZTKSA-N 0 0 345.402 6.202 40 30 EKEBRN O=C1c2ccccc2C/C1=C\c1cn(Cc2ccccc2)c2ccccc12 ZINC000409368137 563975083 /nfs/dbraw/zinc/97/50/83/563975083.db2.gz TZNWAJOSBVYIGB-HMMYKYKNSA-N 0 0 349.433 5.512 40 30 EKEBRN Cc1ccc(-c2ccc(/C=C3\Cc4ccccc4C3=O)o2)cc1Cl ZINC000409368159 257872494 /nfs/dbraw/zinc/87/24/94/257872494.db2.gz NTCWWRCRFBAYCH-LFIBNONCSA-N 0 0 334.802 5.731 40 30 EKEBRN CC(C)Oc1ccc2ccccc2c1/C=C1\Cc2ccccc2C1=O ZINC000409368361 257872417 /nfs/dbraw/zinc/87/24/17/257872417.db2.gz ZQTAQZUOLHQVFQ-NBVRZTHBSA-N 0 0 328.411 5.449 40 30 EKEBRN Cc1ccc(COc2cccc(/C=C3\Cc4ccccc4C3=O)c2)cc1 ZINC000409369690 257872578 /nfs/dbraw/zinc/87/25/78/257872578.db2.gz VWEAIWDMRBAGRI-FYJGNVAPSA-N 0 0 340.422 5.396 40 30 EKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(F)cc2)cc1OC ZINC000409371644 563975120 /nfs/dbraw/zinc/97/51/20/563975120.db2.gz XPCUUAGHHDGUSG-KIHMUJGBSA-N 0 0 335.806 5.416 40 30 EKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(F)cc2)cc1OC ZINC000409371649 564011911 /nfs/dbraw/zinc/01/19/11/564011911.db2.gz XPCUUAGHHDGUSG-OVMKCGGTSA-N 0 0 335.806 5.416 40 30 EKEBRN CC(C)Oc1ccc(/C=C2\Cc3ccccc3C2=O)c(OC(C)C)c1 ZINC000409371998 257872173 /nfs/dbraw/zinc/87/21/73/257872173.db2.gz NMIGSDGQWVRYND-LDADJPATSA-N 0 0 336.431 5.083 40 30 EKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccccc2OC)cc1OC ZINC000409372502 563975097 /nfs/dbraw/zinc/97/50/97/563975097.db2.gz ZNARDGHKLJAIAN-LNOXHEFASA-N 0 0 347.842 5.285 40 30 EKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccccc2OC)cc1OC ZINC000409372505 257872082 /nfs/dbraw/zinc/87/20/82/257872082.db2.gz ZNARDGHKLJAIAN-XMOVILSBSA-N 0 0 347.842 5.285 40 30 EKEBRN Cc1ccc(COc2ccc(/C=C3\Cc4ccccc4C3=O)cc2)cc1 ZINC000409373495 563975082 /nfs/dbraw/zinc/97/50/82/563975082.db2.gz WRERUISIKNRJCV-KGENOOAVSA-N 0 0 340.422 5.396 40 30 EKEBRN CCCOc1ccc2ccccc2c1/C=C1\Cc2ccccc2C1=O ZINC000409373705 564011916 /nfs/dbraw/zinc/01/19/16/564011916.db2.gz ZLKCJSOBJJRELY-OBGWFSINSA-N 0 0 328.411 5.451 40 30 EKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2cccc(OC)c2)cc1OC ZINC000409375011 564011910 /nfs/dbraw/zinc/01/19/10/564011910.db2.gz DBQWKXYVKWIERP-LNOXHEFASA-N 0 0 347.842 5.285 40 30 EKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2cccc(OC)c2)cc1OC ZINC000409375012 563975078 /nfs/dbraw/zinc/97/50/78/563975078.db2.gz DBQWKXYVKWIERP-XMOVILSBSA-N 0 0 347.842 5.285 40 30 EKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(F)c(C)c2)cc1OC ZINC000409375336 564011892 /nfs/dbraw/zinc/01/18/92/564011892.db2.gz JGFOPYSVBIRKJV-XIJPWPHISA-N 0 0 349.833 5.724 40 30 EKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(F)c(C)c2)cc1OC ZINC000409375337 257872018 /nfs/dbraw/zinc/87/20/18/257872018.db2.gz JGFOPYSVBIRKJV-YSRRJJCPSA-N 0 0 349.833 5.724 40 30 EKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(C)cc2)cc1OC ZINC000409375737 257872010 /nfs/dbraw/zinc/87/20/10/257872010.db2.gz OPEIKQWFZWTOCR-OMBDHMDGSA-N 0 0 331.843 5.585 40 30 EKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(C)cc2)cc1OC ZINC000409375738 563975117 /nfs/dbraw/zinc/97/51/17/563975117.db2.gz OPEIKQWFZWTOCR-STCDJXRXSA-N 0 0 331.843 5.585 40 30 EKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccccc2C)cc1OC ZINC000409376723 564011958 /nfs/dbraw/zinc/01/19/58/564011958.db2.gz AIXAYMKVMDIVFM-HKMXWPIPSA-N 0 0 331.843 5.585 40 30 EKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccccc2C)cc1OC ZINC000409376724 564011974 /nfs/dbraw/zinc/01/19/74/564011974.db2.gz AIXAYMKVMDIVFM-LQFJMUIISA-N 0 0 331.843 5.585 40 30 EKEBRN N#Cc1c(/N=C/c2ccc(F)cc2)oc(-c2ccco2)c1-c1ccco1 ZINC000409377007 257871878 /nfs/dbraw/zinc/87/18/78/257871878.db2.gz DJILPCBCEMLNDB-FSJBWODESA-N 0 0 346.317 5.561 40 30 EKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(C)c(C)c2)cc1OC ZINC000409377184 257871951 /nfs/dbraw/zinc/87/19/51/257871951.db2.gz FLKDBXRNPMCWPZ-HJGVYBFFSA-N 0 0 345.870 5.893 40 30 EKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(C)c(C)c2)cc1OC ZINC000409377185 564011959 /nfs/dbraw/zinc/01/19/59/564011959.db2.gz FLKDBXRNPMCWPZ-OOXYOOLHSA-N 0 0 345.870 5.893 40 30 EKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccccc2F)cc1OC ZINC000409378498 564011961 /nfs/dbraw/zinc/01/19/61/564011961.db2.gz QEHPQEPXPYGPOE-UORWWSPDSA-N 0 0 335.806 5.416 40 30 EKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccccc2F)cc1OC ZINC000409378558 563975159 /nfs/dbraw/zinc/97/51/59/563975159.db2.gz QEHPQEPXPYGPOE-WLQYJRLHSA-N 0 0 335.806 5.416 40 30 EKEBRN Cc1ccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)o1 ZINC000409380731 563975149 /nfs/dbraw/zinc/97/51/49/563975149.db2.gz CEUNZHXQLRJKHZ-SRZZPIQSSA-N 0 0 332.315 5.323 40 30 EKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccc(OC)cc2)cc1OC ZINC000409380785 563975135 /nfs/dbraw/zinc/97/51/35/563975135.db2.gz IEHCEGDGZIOMON-KUARTLJMSA-N 0 0 347.842 5.285 40 30 EKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccc(OC)cc2)cc1OC ZINC000409380786 257871874 /nfs/dbraw/zinc/87/18/74/257871874.db2.gz IEHCEGDGZIOMON-MUBJSKCLSA-N 0 0 347.842 5.285 40 30 EKEBRN CCc1ccc(/N=C/c2cc(Cl)c(O[C@H](C)CC)c(OC)c2)cc1 ZINC000409381385 563975190 /nfs/dbraw/zinc/97/51/90/563975190.db2.gz TYYNALPJZCEMMX-CYGNYLSHSA-N 0 0 345.870 5.839 40 30 EKEBRN CCc1ccc(/N=C/c2cc(Cl)c(O[C@@H](C)CC)c(OC)c2)cc1 ZINC000409381387 257872031 /nfs/dbraw/zinc/87/20/31/257872031.db2.gz TYYNALPJZCEMMX-KOUDTOEKSA-N 0 0 345.870 5.839 40 30 EKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccc(C)cc2C)cc1OC ZINC000409382174 257872036 /nfs/dbraw/zinc/87/20/36/257872036.db2.gz YTRTZKBMFWDGGC-QZDMBBGESA-N 0 0 345.870 5.893 40 30 EKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccc(C)cc2C)cc1OC ZINC000409382176 564011940 /nfs/dbraw/zinc/01/19/40/564011940.db2.gz YTRTZKBMFWDGGC-SRMCNWIXSA-N 0 0 345.870 5.893 40 30 EKEBRN N#Cc1c(/N=C/c2cccc(O)c2)oc(-c2ccco2)c1-c1ccco1 ZINC000409382308 564011922 /nfs/dbraw/zinc/01/19/22/564011922.db2.gz RLUKYEDQSYFPRC-WSDLNYQXSA-N 0 0 344.326 5.127 40 30 EKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N\c2cc(C)ccc2C)cc1OC ZINC000409384736 564011945 /nfs/dbraw/zinc/01/19/45/564011945.db2.gz FBDHCJBLSSNFJX-QZDMBBGESA-N 0 0 345.870 5.893 40 30 EKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2cc(C)ccc2C)cc1OC ZINC000409384739 564011939 /nfs/dbraw/zinc/01/19/39/564011939.db2.gz FBDHCJBLSSNFJX-SRMCNWIXSA-N 0 0 345.870 5.893 40 30 EKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccc(C#N)cc2)cc1OC ZINC000409387844 563975434 /nfs/dbraw/zinc/97/54/34/563975434.db2.gz SBUQLSSWLOMFGZ-AEOXGOBCSA-N 0 0 342.826 5.148 40 30 EKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(C#N)cc2)cc1OC ZINC000409387845 564012011 /nfs/dbraw/zinc/01/20/11/564012011.db2.gz SBUQLSSWLOMFGZ-UMYHVIPVSA-N 0 0 342.826 5.148 40 30 EKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N\c2cccc(C)c2)cc1OC ZINC000409388394 564012020 /nfs/dbraw/zinc/01/20/20/564012020.db2.gz UZZSOAOKTSNSNK-HKMXWPIPSA-N 0 0 331.843 5.585 40 30 EKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2cccc(C)c2)cc1OC ZINC000409388395 564012009 /nfs/dbraw/zinc/01/20/09/564012009.db2.gz UZZSOAOKTSNSNK-LQFJMUIISA-N 0 0 331.843 5.585 40 30 EKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2cccc(F)c2)cc1OC ZINC000409389135 563975496 /nfs/dbraw/zinc/97/54/96/563975496.db2.gz ZLZXMNNKFNGTMP-KIHMUJGBSA-N 0 0 335.806 5.416 40 30 EKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N/c2cccc(F)c2)cc1OC ZINC000409389138 563975512 /nfs/dbraw/zinc/97/55/12/563975512.db2.gz ZLZXMNNKFNGTMP-OVMKCGGTSA-N 0 0 335.806 5.416 40 30 EKEBRN CCCOc1ccc2ccccc2c1C=C1C(=O)c2ccccc2C1=O ZINC000409389932 563975489 /nfs/dbraw/zinc/97/54/89/563975489.db2.gz AZSYTFJJUBXAOE-UHFFFAOYSA-N 0 0 342.394 5.091 40 30 EKEBRN CC(C)Oc1ccc2ccccc2c1C=C1C(=O)c2ccccc2C1=O ZINC000409393089 564012001 /nfs/dbraw/zinc/01/20/01/564012001.db2.gz UYUQHZLEFGRXOC-UHFFFAOYSA-N 0 0 342.394 5.090 40 30 EKEBRN C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccc(F)cc1 ZINC000584905928 564080530 /nfs/dbraw/zinc/08/05/30/564080530.db2.gz UQUNMLCQMUTRIK-UHFFFAOYSA-N 0 0 344.842 5.428 40 30 EKEBRN C=CCn1c(-c2ccc(C)cc2)csc1=Nc1ccccc1Cl ZINC000584905950 564080469 /nfs/dbraw/zinc/08/04/69/564080469.db2.gz FQVGRDZONROWFR-UHFFFAOYSA-N 0 0 340.879 5.597 40 30 EKEBRN C=CCn1c(-c2ccccc2)csc1=Nc1c(C)cc(C)cc1C ZINC000584905952 564080529 /nfs/dbraw/zinc/08/05/29/564080529.db2.gz JNGGGINWYDRMIW-UHFFFAOYSA-N 0 0 334.488 5.560 40 30 EKEBRN C=CCn1c(-c2ccccc2)csc1=Nc1ccccc1Cl ZINC000584906155 564080544 /nfs/dbraw/zinc/08/05/44/564080544.db2.gz ZYTGZTFHIIKMAW-UHFFFAOYSA-N 0 0 326.852 5.288 40 30 EKEBRN