smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N2C(=O)c3cccc4cccc(c43)C2=O)ccc1I ZINC000000705672 132231327 /nfs/dbraw/zinc/23/13/27/132231327.db2.gz ZLQYRFAOLDUFAL-UHFFFAOYSA-N 0 0 413.214 4.553 50 0 HJAARN Cc1csc2c1ncnc2N1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000001027174 132235251 /nfs/dbraw/zinc/23/52/51/132235251.db2.gz QLSJUHRQBOMTKV-UHFFFAOYSA-N 0 0 422.341 4.661 50 0 HJAARN COC(=O)c1scc2c1nc(C(F)(F)F)cc2N1CCC(n2cccc2)CC1 ZINC000001040065 132235647 /nfs/dbraw/zinc/23/56/47/132235647.db2.gz JFRXWTVDWAQOHU-UHFFFAOYSA-N 0 0 409.433 4.745 50 0 HJAARN Cc1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)c4ccccc43)CC2)c(C)c1 ZINC000001075323 132236494 /nfs/dbraw/zinc/23/64/94/132236494.db2.gz MMOGVYDTEFPNCT-UHFFFAOYSA-N 0 0 414.958 4.621 50 0 HJAARN Oc1ccc(N2CCN(C(=S)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1 ZINC000001080826 132236727 /nfs/dbraw/zinc/23/67/27/132236727.db2.gz YVDHERMNUUNCKQ-UHFFFAOYSA-N 0 0 405.523 4.704 50 0 HJAARN O=C(C1c2ccccc2Oc2ccccc21)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000001112791 132237401 /nfs/dbraw/zinc/23/74/01/132237401.db2.gz MRTQSEJYOTZQAD-UHFFFAOYSA-N 0 0 404.897 4.926 50 0 aggregator HJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2cccc(C)c2C)CC1 ZINC000001200484 132241927 /nfs/dbraw/zinc/24/19/27/132241927.db2.gz AFHLPWVIOKTPIG-UHFFFAOYSA-N 0 0 409.917 4.883 50 0 HJAARN CCOc1ccccc1N1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 ZINC000001217526 132242736 /nfs/dbraw/zinc/24/27/36/132242736.db2.gz HZVVEXYKGSTOOU-UHFFFAOYSA-N 0 0 400.931 4.916 50 0 HJAARN O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)OCc1ccccc1 ZINC000010220760 132244888 /nfs/dbraw/zinc/24/48/88/132244888.db2.gz FNBXFVJKMFOFPO-UHFFFAOYSA-N 0 0 422.506 4.577 50 0 HJAARN C[C@H]1C(=O)N(Cc2ccc(F)cc2)c2ccccc2N1C(=O)c1c(F)cccc1F ZINC000001385984 132245539 /nfs/dbraw/zinc/24/55/39/132245539.db2.gz QQXCPFJXDWDZBK-AWEZNQCLSA-N 0 0 410.395 4.686 50 0 HJAARN CCOC(=O)C1=CN(c2ccc(C)cc2)C=C(C(=O)OCC)C1c1cccc(OC)c1 ZINC000001438159 132246187 /nfs/dbraw/zinc/24/61/87/132246187.db2.gz GENFODKXYHXHBC-UHFFFAOYSA-N 0 0 421.493 4.501 50 0 HJAARN CN1c2ccccc2C(C)(C)[C@]12C=Nc1c(cc(N3CCOCC3)c3ccccc31)O2 ZINC000001513904 132247017 /nfs/dbraw/zinc/24/70/17/132247017.db2.gz VBGVMVBBKHCPIQ-AREMUKBSSA-N 0 0 413.521 4.895 50 0 HJAARN Cc1cc(NC(=O)C2=C(C)N(c3ccccc3)C(=S)N[C@@H]2c2ccccc2C)no1 ZINC000010353043 132247390 /nfs/dbraw/zinc/24/73/90/132247390.db2.gz NBQMVJFRRSWXOQ-OAQYLSRUSA-N 0 0 418.522 4.640 50 0 HJAARN O=C(/C=C/c1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000002221167 132249821 /nfs/dbraw/zinc/24/98/21/132249821.db2.gz SVSYCGBWFYVVGK-FPYGCLRLSA-N 0 0 410.823 4.847 50 0 HJAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000002644527 132256299 /nfs/dbraw/zinc/25/62/99/132256299.db2.gz YTQSIKZOLVUTKH-UHFFFAOYSA-N 0 0 415.287 4.593 50 0 HJAARN Cc1ccc(N2C(=O)N(Cc3cc(C)ccc3C)c3ccccc3S2(=O)=O)cc1 ZINC000002715878 132257060 /nfs/dbraw/zinc/25/70/60/132257060.db2.gz HEQISBDTUCBYPL-UHFFFAOYSA-N 0 0 406.507 4.947 50 0 HJAARN C[C@H]1CCc2cc(F)ccc2N1C(=O)Cn1cc(C(=O)C(F)(F)F)c2ccccc21 ZINC000002813552 132258011 /nfs/dbraw/zinc/25/80/11/132258011.db2.gz JQLKITMGNBCUAN-ZDUSSCGKSA-N 0 0 418.390 4.893 50 0 HJAARN Cc1cc(O[C@H](C)C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc(C)c1Cl ZINC000002830397 132258128 /nfs/dbraw/zinc/25/81/28/132258128.db2.gz DQYSNPODFVRQNS-MRXNPFEDSA-N 0 0 407.341 4.726 50 0 HJAARN COc1cccc(NC(=O)c2sc3nc(C)nc(N4CCCC[C@@H]4C)c3c2C)c1 ZINC000002924384 132259769 /nfs/dbraw/zinc/25/97/69/132259769.db2.gz NMVSPEYVJSRUPX-ZDUSSCGKSA-N 0 0 410.543 4.948 50 0 HJAARN Cc1c(C(=O)Nc2ccccc2F)sc2ncnc(N3CCc4ccccc4C3)c12 ZINC000002931513 132259898 /nfs/dbraw/zinc/25/98/98/132259898.db2.gz WXCXIOWYNXWRTQ-UHFFFAOYSA-N 0 0 418.497 4.954 50 0 HJAARN C[C@]1(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)CC1(Cl)Cl ZINC000003246375 132263701 /nfs/dbraw/zinc/26/37/01/132263701.db2.gz WGYWJSSGQLPXBR-GOSISDBHSA-N 0 0 408.306 4.943 50 0 HJAARN O=C(COC(=O)Cc1c(Cl)cccc1Cl)Nc1ccc(N2CCCCC2)cc1 ZINC000003300465 132264288 /nfs/dbraw/zinc/26/42/88/132264288.db2.gz MZJVDUQTFCDFOK-UHFFFAOYSA-N 0 0 421.324 4.708 50 0 HJAARN O=C(c1cc(-c2cccs2)nc2ccccc21)N1CCN(c2ccccc2O)CC1 ZINC000003333147 132264779 /nfs/dbraw/zinc/26/47/79/132264779.db2.gz OKOSBTISJBOLTP-UHFFFAOYSA-N 0 0 415.518 4.631 50 0 HJAARN CC(C)CCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)CS2 ZINC000003638581 132267505 /nfs/dbraw/zinc/26/75/05/132267505.db2.gz NQPAMVSRIZECEW-UHFFFAOYSA-N 0 0 402.947 4.755 50 0 HJAARN CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)CC1 ZINC000004120355 132271445 /nfs/dbraw/zinc/27/14/45/132271445.db2.gz SVOWHEMLUMFZME-UHFFFAOYSA-N 0 0 401.510 4.541 50 0 HJAARN Cc1cccc(N2CCN(C(=O)c3cc4c(s3)c3ccccc3oc4=O)CC2)c1C ZINC000004192650 132272930 /nfs/dbraw/zinc/27/29/30/132272930.db2.gz ZPTBVCYIUIBAEJ-UHFFFAOYSA-N 0 0 418.518 4.587 50 0 HJAARN Cc1cc(C)cc(N2C(=O)N(Cc3cccc(F)c3)c3ccccc3S2(=O)=O)c1 ZINC000004315233 132274987 /nfs/dbraw/zinc/27/49/87/132274987.db2.gz WOTVWKCNUBAUNC-UHFFFAOYSA-N 0 0 410.470 4.778 50 0 aggregator HJAARN Cc1c(C)c(C)c(S(=O)(=O)Oc2ccccc2N2C[C@@H](C)O[C@H](C)C2)c(C)c1C ZINC000004361986 132275826 /nfs/dbraw/zinc/27/58/26/132275826.db2.gz HYSNJDGAQQGPKI-HUUCEWRRSA-N 0 0 417.571 4.610 50 0 HJAARN Cc1ccccc1CN1c2ccccc2S(=O)(=O)N(c2cccc(Cl)c2)C1=O ZINC000004484263 132277523 /nfs/dbraw/zinc/27/75/23/132277523.db2.gz UIYVWPBDJRBGKN-UHFFFAOYSA-N 0 0 412.898 4.984 50 0 HJAARN CN1c2cc(C(=O)NCc3ccccc3)ccc2S/C(=C\c2ccccc2)C1=O ZINC000004668273 132281587 /nfs/dbraw/zinc/28/15/87/132281587.db2.gz LYPDJJUJFQGDLS-HMAPJEAMSA-N 0 0 400.503 4.726 50 0 HJAARN CCOC(=O)CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21 ZINC000004670247 132281900 /nfs/dbraw/zinc/28/19/00/132281900.db2.gz FPVRMHPUWDELJF-BOPFTXTBSA-N 0 0 407.413 4.748 50 0 HJAARN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc2ccccc2c1 ZINC000004903364 132292654 /nfs/dbraw/zinc/29/26/54/132292654.db2.gz VCCJQDBJLJMJFS-UHFFFAOYSA-N 0 0 420.509 4.726 50 0 HJAARN COc1ccccc1N1CCN(C(=O)c2cc3c(s2)-c2c(C)cccc2OC3)CC1 ZINC000004909419 132293457 /nfs/dbraw/zinc/29/34/57/132293457.db2.gz WZLFWMIOTDCNME-UHFFFAOYSA-N 0 0 420.534 4.587 50 0 HJAARN Cc1cccc(N2CCN(C(=O)c3cc4c(s3)-c3ccccc3OC4)C[C@H]2C)c1 ZINC000004909547 132293477 /nfs/dbraw/zinc/29/34/77/132293477.db2.gz VJJYNKJKWGDSQN-QGZVFWFLSA-N 0 0 404.535 4.967 50 0 HJAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc(/C=C3\Oc4ccccc4N(C)C3=O)cc2)[C@@H]1C ZINC000004931896 132294819 /nfs/dbraw/zinc/29/48/19/132294819.db2.gz DFAKFZFFWLOLLO-LHHQFVEYSA-N 0 0 404.510 4.637 50 0 HJAARN C[C@H](C(=O)NC1CCCC1)[C@@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000005022095 132298488 /nfs/dbraw/zinc/29/84/88/132298488.db2.gz CZHFCESVHXTMGL-BTYIYWSLSA-N 0 0 412.530 4.528 50 0 HJAARN COc1ccc(-c2c(C)nn3c2nc(C)cc3N2CCc3ccccc3C2)cc1OC ZINC000005058907 132299853 /nfs/dbraw/zinc/29/98/53/132299853.db2.gz XEQNJXAYZBKGEJ-UHFFFAOYSA-N 0 0 414.509 4.593 50 0 HJAARN O=C1CN(c2ccccc2F)C(=O)[C@@H](c2ccsc2)N1c1ccc(Cl)cc1 ZINC000005484050 132306266 /nfs/dbraw/zinc/30/62/66/132306266.db2.gz JWRRHUQQQOKAGZ-LJQANCHMSA-N 0 0 400.862 4.662 50 0 HJAARN Cc1cccc(C)c1NC(=O)CCCN1c2ncccc2O[C@@H](c2ccccc2)C1=O ZINC000006796598 132316775 /nfs/dbraw/zinc/31/67/75/132316775.db2.gz CYFSYSXRTLFENP-QHCPKHFHSA-N 0 0 415.493 4.584 50 0 HJAARN O=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000006896789 132320012 /nfs/dbraw/zinc/32/00/12/132320012.db2.gz JUDQNPVYSBYTFZ-UHFFFAOYSA-N 0 0 408.505 4.502 50 0 HJAARN CC[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c2cc(C)ccc2O1 ZINC000006949763 132321651 /nfs/dbraw/zinc/32/16/51/132321651.db2.gz BRUCDBKPQAECRN-MRXNPFEDSA-N 0 0 410.539 4.721 50 0 HJAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)c(Cl)c1 ZINC000007387984 132324318 /nfs/dbraw/zinc/32/43/18/132324318.db2.gz CMZSTRSNMGIMLQ-UHFFFAOYSA-N 0 0 413.949 4.595 50 0 HJAARN O=C(CSc1ncnc2sccc21)N1c2ccccc2OC[C@H]1c1ccccc1 ZINC000009253749 132337664 /nfs/dbraw/zinc/33/76/64/132337664.db2.gz HCTSOGYOXKHXRH-SFHVURJKSA-N 0 0 419.531 4.950 50 0 HJAARN COc1cccc(NC(C)=C2c3ccccc3C(=O)N(c3ccccc3F)C2=O)c1 ZINC000009422103 132339615 /nfs/dbraw/zinc/33/96/15/132339615.db2.gz AGJJOKZURVMHJN-JCMHNJIXSA-N 0 0 402.425 4.864 50 0 HJAARN Cc1nc(-c2cccc(NC(=O)CCN3C(=O)CSc4ccccc43)c2)cs1 ZINC000009466013 132340152 /nfs/dbraw/zinc/34/01/52/132340152.db2.gz UIRGRSXGSAMGJD-UHFFFAOYSA-N 0 0 409.536 4.586 50 0 HJAARN Cn1c(SCC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)nnc1C1CC1 ZINC000009496235 132340427 /nfs/dbraw/zinc/34/04/27/132340427.db2.gz LZYJBJDTPYSMTL-GOSISDBHSA-N 0 0 422.579 4.665 50 0 HJAARN Cc1cccc(CN2c3ccccc3S(=O)(=O)N(c3cc(C)cc(C)c3)C2=O)c1 ZINC000009664377 132342235 /nfs/dbraw/zinc/34/22/35/132342235.db2.gz FFCBJZMJRFRYGF-UHFFFAOYSA-N 0 0 406.507 4.947 50 0 HJAARN CC(C)c1ccc(Nc2nc(Nc3ccc(Cl)cc3)nc(N3CCOCC3)n2)cc1 ZINC000009708881 132342693 /nfs/dbraw/zinc/34/26/93/132342693.db2.gz QBCMZEFPHBKFPG-UHFFFAOYSA-N 0 0 424.936 4.972 50 0 HJAARN Cc1ccc(N2C(=O)N(Cc3ccccc3C)c3ccccc3S2(=O)=O)cc1F ZINC000010273475 132345735 /nfs/dbraw/zinc/34/57/35/132345735.db2.gz GXKHZIVXMKBXFM-UHFFFAOYSA-N 0 0 410.470 4.778 50 0 HJAARN O=C(c1ccccc1Br)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000010386816 132346009 /nfs/dbraw/zinc/34/60/09/132346009.db2.gz SKCMWVCJEXBABA-UHFFFAOYSA-N 0 0 414.130 4.718 50 0 HJAARN Cc1cccc(N2CCN(C(=O)c3cc(C[C@@H](C)c4ccccc4)no3)CC2)c1C ZINC000012099183 132353955 /nfs/dbraw/zinc/35/39/55/132353955.db2.gz JCGGVIMDUDKBDS-LJQANCHMSA-N 0 0 403.526 4.600 50 0 HJAARN CC(C)c1ccccc1NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 ZINC000012195061 132356459 /nfs/dbraw/zinc/35/64/59/132356459.db2.gz VCAOEFMVFQSQEY-UHFFFAOYSA-N 0 0 406.935 4.646 50 0 HJAARN C[C@@H]1CN(c2ncnc3scc(-c4ccc(Br)cc4)c32)C[C@H](C)O1 ZINC000012418070 132359656 /nfs/dbraw/zinc/35/96/56/132359656.db2.gz YBNZRPRBCVXOSG-TXEJJXNPSA-N 0 0 404.333 4.734 50 0 HJAARN CCc1cccc(N2C(=O)N(Cc3cccc(OC)c3)c3ccccc3S2(=O)=O)c1 ZINC000012414809 132359658 /nfs/dbraw/zinc/35/96/58/132359658.db2.gz XPRHDJNNLUBWIU-UHFFFAOYSA-N 0 0 422.506 4.593 50 0 HJAARN O=C(CSC(c1ccccc1)c1ccccc1)Nc1ccccc1N1CCOCC1 ZINC000012532837 132362009 /nfs/dbraw/zinc/36/20/09/132362009.db2.gz BGUYAGJHPZLDME-UHFFFAOYSA-N 0 0 418.562 4.985 50 0 HJAARN O=C(c1csc(-c2ccc(F)cc2)n1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000012555083 132363488 /nfs/dbraw/zinc/36/34/88/132363488.db2.gz GIATWRODPKVTJL-UHFFFAOYSA-N 0 0 401.894 4.565 50 0 HJAARN O=C(C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1)N1CCCCCCC1 ZINC000012582149 132364486 /nfs/dbraw/zinc/36/44/86/132364486.db2.gz ZABFDCFILOIVRK-UHFFFAOYSA-N 0 0 418.585 4.641 50 0 HJAARN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CCN(c2ccccc2)C(=O)C1 ZINC000015077597 132461254 /nfs/dbraw/zinc/46/12/54/132461254.db2.gz AGLOARRIJUTWLG-UHFFFAOYSA-N 0 0 415.415 4.518 50 0 HJAARN Cc1ccc(N2C(=O)N(Cc3cc(F)cc(F)c3)c3ccccc3S2(=O)=O)cc1 ZINC000015829519 132462991 /nfs/dbraw/zinc/46/29/91/132462991.db2.gz KFLBMOYLQYHIAA-UHFFFAOYSA-N 0 0 414.433 4.609 50 0 HJAARN COc1cccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)c1OC ZINC000016960747 132464510 /nfs/dbraw/zinc/46/45/10/132464510.db2.gz RLLBHKFPJFDZPO-UHFFFAOYSA-N 0 0 422.506 4.611 50 0 HJAARN CCOc1ccc(NC(=O)COc2cccc3ccc(N4CCC[C@@H](C)C4)nc32)cc1 ZINC000017307839 132465612 /nfs/dbraw/zinc/46/56/12/132465612.db2.gz JHYUCFYIBYLKCW-GOSISDBHSA-N 0 0 419.525 4.887 50 0 HJAARN Cc1cc(C)cc(NC(=O)C2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)c1 ZINC000022492633 132474696 /nfs/dbraw/zinc/47/46/96/132474696.db2.gz NTPGUPOEIHVGJW-UHFFFAOYSA-N 0 0 404.489 4.755 50 0 HJAARN Cc1cc2occ(CC(=O)N(C)Cc3ccccc3N3CCOCC3)c2cc1C(C)C ZINC000024191383 132482907 /nfs/dbraw/zinc/48/29/07/132482907.db2.gz PGQLBJQIHDODGS-UHFFFAOYSA-N 0 0 420.553 4.902 50 0 HJAARN O=C([C@H]1CCCC[C@H]1c1nc2ccccc2s1)N1CCN(c2ccccc2)CC1 ZINC000024363070 132483437 /nfs/dbraw/zinc/48/34/37/132483437.db2.gz BSYVLPMHZUTQQB-UXHICEINSA-N 0 0 405.567 4.919 50 0 HJAARN CCOc1ccccc1NC=C1c2ccccc2C(=O)N(c2ccc(OC)cc2)C1=O ZINC000027572795 132491671 /nfs/dbraw/zinc/49/16/71/132491671.db2.gz BAUSPDPEACJIKW-LTGZKZEYSA-N 0 0 414.461 4.734 50 0 HJAARN O=C(NC1CCCCC1)c1cccc(N2CCCN(Cc3ccccc3F)C2=O)c1 ZINC000033027765 132500553 /nfs/dbraw/zinc/50/05/53/132500553.db2.gz KMECTFHUAJRGOJ-UHFFFAOYSA-N 0 0 409.505 4.721 50 0 HJAARN CN1c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2-c2ccccc2S1(=O)=O ZINC000033088682 132503549 /nfs/dbraw/zinc/50/35/49/132503549.db2.gz SKJVIHFEAZOFNI-UHFFFAOYSA-N 0 0 416.861 4.537 50 0 HJAARN O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(c2nccnc2Sc2ccccc2)C1 ZINC000033168780 132777662 /nfs/dbraw/zinc/77/76/62/132777662.db2.gz ULXGEIFRRRQZJM-MRXNPFEDSA-N 0 0 408.502 4.622 50 0 HJAARN Cc1cccc(NC(=O)[C@@H]2CCCN(c3nccnc3Sc3ccccc3)C2)c1 ZINC000033168850 132777867 /nfs/dbraw/zinc/77/78/67/132777867.db2.gz MVTDRROJIPEKAF-GOSISDBHSA-N 0 0 404.539 4.791 50 0 HJAARN CCOc1ccc(NC(=O)c2ccc(Oc3nccnc3N3CCCCC3)cc2)cc1 ZINC000033170767 132778275 /nfs/dbraw/zinc/77/82/75/132778275.db2.gz BVVMTUNOTNCZQQ-UHFFFAOYSA-N 0 0 418.497 4.910 50 0 HJAARN Cc1ccc(Sc2nccnc2N2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000033288519 132784330 /nfs/dbraw/zinc/78/43/30/132784330.db2.gz TXCMVZDIWVVURU-SFHVURJKSA-N 0 0 404.539 4.791 50 0 HJAARN CCOC(=O)c1ccc(N2C(=O)c3ccccc3/C(=C\c3cccc(C)c3)C2=O)cc1 ZINC000034761846 132798660 /nfs/dbraw/zinc/79/86/60/132798660.db2.gz AAMWSIXITFGAKM-XQNSMLJCSA-N 0 0 411.457 4.899 50 0 HJAARN Cc1cccc(-c2ccc(N3CCC(C(=O)Nc4ccc(C)c(C)c4)CC3)nn2)c1 ZINC000035398398 132801673 /nfs/dbraw/zinc/80/16/73/132801673.db2.gz RDVSVAIWWBJETM-UHFFFAOYSA-N 0 0 400.526 4.924 50 0 HJAARN CC(C)Oc1ccc(-c2noc(CN3C(=O)COc4cc(C(C)(C)C)ccc43)n2)cc1 ZINC000035462640 132802084 /nfs/dbraw/zinc/80/20/84/132802084.db2.gz UCNLDNOGINGFHP-UHFFFAOYSA-N 0 0 421.497 4.747 50 0 HJAARN CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3c(C)c(-c4cccc(Cl)c4)nn32)cc1 ZINC000032087859 518377847 /nfs/dbraw/zinc/37/78/47/518377847.db2.gz JWWIWANXGVEAGJ-GOSISDBHSA-N 0 0 422.872 4.886 50 0 HJAARN CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3c(C)c(-c4ccc(Cl)cc4)nn32)cc1 ZINC000032072164 518378646 /nfs/dbraw/zinc/37/86/46/518378646.db2.gz LBHPIBCGXILGKG-GOSISDBHSA-N 0 0 422.872 4.886 50 0 HJAARN CC(=O)c1ccc(NC(=O)c2ccccc2-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000032954102 518380771 /nfs/dbraw/zinc/38/07/71/518380771.db2.gz DDGVYDFZCUTBJZ-UHFFFAOYSA-N 0 0 401.397 4.998 50 0 HJAARN CC(=O)c1cccc(Nc2ccc3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc3n2)c1 ZINC000032943635 518445912 /nfs/dbraw/zinc/44/59/12/518445912.db2.gz RCAHMNVAKMHZNZ-INIZCTEOSA-N 0 0 423.538 4.744 50 0 HJAARN CC(=O)c1cccc(OCC(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(C)c2)c1 ZINC000032912928 518450369 /nfs/dbraw/zinc/45/03/69/518450369.db2.gz IXTHDTZQHDTEGY-UHFFFAOYSA-N 0 0 405.498 4.698 50 0 HJAARN CC(C)(Oc1ccc([C@H]2CC2(Cl)Cl)cc1)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000072403505 519380576 /nfs/dbraw/zinc/38/05/76/519380576.db2.gz TXHIXEPDUGQYFH-GDBMZVCRSA-N 0 0 400.346 4.579 50 0 HJAARN CC(C)CC(=O)Nc1cc2c(cc1Sc1ccccc1Cl)n(C)c(=O)n2C ZINC000045940887 519604589 /nfs/dbraw/zinc/60/45/89/519604589.db2.gz OQGGMKJDBZZRIU-UHFFFAOYSA-N 0 0 403.935 4.666 50 0 HJAARN CC(C)CC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccc(Br)cc2)cc1 ZINC000025495115 519607731 /nfs/dbraw/zinc/60/77/31/519607731.db2.gz RKDNUSDENNDSIC-CQSZACIVSA-N 0 0 418.335 4.873 50 0 HJAARN CC(=O)NCCCc1nc2ccccc2n1CCCOc1ccc2ccccc2c1 ZINC000040203911 519661129 /nfs/dbraw/zinc/66/11/29/519661129.db2.gz SYBQHXNVHURUQQ-UHFFFAOYSA-N 0 0 401.510 4.727 50 0 HJAARN CC(C)CCNc1nc(=O)n(CC(=O)Nc2ccc(C(C)C)cc2)c2ccccc12 ZINC000044168505 519664001 /nfs/dbraw/zinc/66/40/01/519664001.db2.gz FOESBPDSUWRCBI-UHFFFAOYSA-N 0 0 406.530 4.617 50 0 HJAARN CC(=O)N[C@@H](CC(=O)Nc1ccc(C)cc1Br)c1ccccc1Cl ZINC000032922395 519684558 /nfs/dbraw/zinc/68/45/58/519684558.db2.gz BXUNTMBCDGGRSE-KRWDZBQOSA-N 0 0 409.711 4.617 50 0 HJAARN CC(C)CCn1c2ccccc2nc1SCC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000032950414 519700717 /nfs/dbraw/zinc/70/07/17/519700717.db2.gz XSOFBPCEDHCIHV-UHFFFAOYSA-N 0 0 424.570 4.515 50 0 HJAARN CC(C)CN1C(=O)[C@@]2(CC(=O)Nc3c2cnn3C(C)(C)C)c2cccc(Cl)c21 ZINC000032074572 519719789 /nfs/dbraw/zinc/71/97/89/519719789.db2.gz FZEUGGGAGCTJHX-NRFANRHFSA-N 0 0 400.910 4.572 50 0 HJAARN CC(=O)Nc1ccc(OC(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c32)cc1 ZINC000032885581 519729130 /nfs/dbraw/zinc/72/91/30/519729130.db2.gz BDBIKCFBVVSTGK-UHFFFAOYSA-N 0 0 407.451 4.746 50 0 HJAARN CC(=O)Nc1ccc(SCC(=O)NCc2cccc(Oc3ccccc3)c2)cc1 ZINC000032362171 519732114 /nfs/dbraw/zinc/73/21/14/519732114.db2.gz VSOXLSYDMCFCIW-UHFFFAOYSA-N 0 0 406.507 4.846 50 0 HJAARN CC(C)c1c(C(=O)Nc2cccc(C(=O)N(C)C)c2)cnn1-c1cccc(Cl)c1 ZINC000032616589 519830803 /nfs/dbraw/zinc/83/08/03/519830803.db2.gz VFPRMMQPIUFWTI-UHFFFAOYSA-N 0 0 410.905 4.603 50 0 HJAARN CC(C)c1cc(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)nn1C(C)(C)C ZINC000044402683 519832726 /nfs/dbraw/zinc/83/27/26/519832726.db2.gz MTMASQUPCAXVBQ-UHFFFAOYSA-N 0 0 402.926 4.794 50 0 HJAARN CC(C)c1ccc(-n2cnnc2SCC(=O)Nc2ccccc2OC(F)F)cc1 ZINC000032752703 519834056 /nfs/dbraw/zinc/83/40/56/519834056.db2.gz UHRFGOFSMYSWCH-UHFFFAOYSA-N 0 0 418.469 4.723 50 0 HJAARN CCOc1ccc(-c2cc3c(=O)n(Cc4ccc(C)c(C)c4)ccn3n2)cc1Cl ZINC000072329610 520807813 /nfs/dbraw/zinc/80/78/13/520807813.db2.gz NJBGFOQJVMFJHF-UHFFFAOYSA-N 0 0 407.901 4.880 50 0 HJAARN CCOc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)no2)cc1 ZINC000032623961 520821738 /nfs/dbraw/zinc/82/17/38/520821738.db2.gz PEBWCZMZXGQAJB-CYBMUJFWSA-N 0 0 401.850 4.503 50 0 HJAARN CCCCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1ccc(Cl)nn1 ZINC000032103149 520917884 /nfs/dbraw/zinc/91/78/84/520917884.db2.gz ZRVRGPILORRYAB-HNNXBMFYSA-N 0 0 411.893 4.927 50 0 HJAARN CCN(CCCNC(=O)c1c2ccccc2nnc1-c1ccccc1)c1ccccc1 ZINC000032953102 521020339 /nfs/dbraw/zinc/02/03/39/521020339.db2.gz QPTAWYOOJXAZQW-UHFFFAOYSA-N 0 0 410.521 4.943 50 0 HJAARN CCOc1ccc([C@@H](NC(=O)CCCNC(=O)c2cccs2)c2ccccc2)cc1 ZINC000032914827 521229444 /nfs/dbraw/zinc/22/94/44/521229444.db2.gz QGLAGNGUWKMZDO-QHCPKHFHSA-N 0 0 422.550 4.563 50 0 HJAARN CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](O)CC(=O)O3)[C@@H]21 ZINC000043772732 521276231 /nfs/dbraw/zinc/27/62/31/521276231.db2.gz RYMZZMVNJRMUDD-KABAWQGKSA-N 0 0 418.574 4.586 50 0 in-vitro HJAARN CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1nnc(C(C)C)[nH]1 ZINC000032957575 521285757 /nfs/dbraw/zinc/28/57/57/521285757.db2.gz FVVGDEWAIIVVFZ-UHFFFAOYSA-N 0 0 400.548 4.648 50 0 HJAARN CCOC(=O)c1c(C)c2ccccc2nc1CSc1nncn1-c1ccccc1C ZINC000032721659 521393969 /nfs/dbraw/zinc/39/39/69/521393969.db2.gz RAMVJPOGUCHZPW-UHFFFAOYSA-N 0 0 418.522 4.901 50 0 HJAARN CCCN(Cc1cc(=O)[nH]c2c(OC)cccc12)C(=O)Nc1ccc(C)cc1Cl ZINC000041089905 521680344 /nfs/dbraw/zinc/68/03/44/521680344.db2.gz JMGYJXPRVQQZRD-UHFFFAOYSA-N 0 0 413.905 4.943 50 0 HJAARN CCc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000032902322 521907214 /nfs/dbraw/zinc/90/72/14/521907214.db2.gz SOQHIHZBNJCLQU-UHFFFAOYSA-N 0 0 414.914 4.956 50 0 HJAARN COc1cc(C(=O)NCC2(c3ccccc3)CCC2)ccc1OCc1c(C)noc1C ZINC000032865904 522105426 /nfs/dbraw/zinc/10/54/26/522105426.db2.gz IWSFMFPOSHBPPD-UHFFFAOYSA-N 0 0 420.509 4.731 50 0 HJAARN COc1cc(C(=O)Nc2ccccc2N2CCc3sccc3C2)cc(OC)c1OC ZINC000032915675 522161083 /nfs/dbraw/zinc/16/10/83/522161083.db2.gz VITUAAUDRKKVEK-UHFFFAOYSA-N 0 0 424.522 4.589 50 0 HJAARN COc1cc(C)c(-c2nc(CN(C)Cc3nc(-c4ccccc4)no3)c(C)o2)cc1C ZINC000020537107 522183148 /nfs/dbraw/zinc/18/31/48/522183148.db2.gz SFZLBMLGNNIJCC-UHFFFAOYSA-N 0 0 418.497 4.957 50 0 HJAARN CCc1nc(NC(=O)c2ccc(Cl)cc2I)sc1C ZINC000044732667 522404768 /nfs/dbraw/zinc/40/47/68/522404768.db2.gz RSXWGZWPOKHZJG-UHFFFAOYSA-N 0 0 406.676 4.524 50 0 HJAARN CC[C@H](NC(=O)NCc1ccc(NC(=O)C2CC2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000032936982 522453387 /nfs/dbraw/zinc/45/33/87/522453387.db2.gz NCARIYHEMFSQCS-KIZRYQFWSA-N 0 0 409.574 4.829 50 0 HJAARN COc1cc(Cl)c(NC(=O)c2cnc(SC)n2-c2ccc(F)cc2)cc1OC ZINC000032883033 522528528 /nfs/dbraw/zinc/52/85/28/522528528.db2.gz KSFSFAMWGCRJRN-UHFFFAOYSA-N 0 0 421.881 4.656 50 0 HJAARN CCc1nn2c(nnc3c2ccn([C@H]2CCCC[C@H]2C)c3=O)c1-c1ccc(F)cc1 ZINC000040391683 522715249 /nfs/dbraw/zinc/71/52/49/522715249.db2.gz LIFGWHIGSFIDAS-KDOFPFPSSA-N 0 0 405.477 4.559 50 0 HJAARN COc1cc([C@@H]2CC(=O)Nc3c2cnn3Cc2cccs2)ccc1OC(F)F ZINC000072403054 522926444 /nfs/dbraw/zinc/92/64/44/522926444.db2.gz MCKFCZNXEFVARF-ZDUSSCGKSA-N 0 0 405.426 4.727 50 0 HJAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000032841458 523216010 /nfs/dbraw/zinc/21/60/10/523216010.db2.gz BFKNQCSPKPFQHX-UHFFFAOYSA-N 0 0 419.443 4.947 50 0 HJAARN COCc1nn2c(ncc3c2ccn([C@H]2CCCC[C@H]2C)c3=O)c1-c1ccc(F)cc1 ZINC000040397110 523248397 /nfs/dbraw/zinc/24/83/97/523248397.db2.gz XUWDEYRBQBFSHM-QRWLVFNGSA-N 0 0 420.488 4.748 50 0 HJAARN COc1ccc(-c2noc3nc(C4CC4)cc(C(=O)Nc4c(C)noc4C)c32)cc1 ZINC000036619421 523303727 /nfs/dbraw/zinc/30/37/27/523303727.db2.gz RZVVUXPQTMMOIP-UHFFFAOYSA-N 0 0 404.426 4.633 50 0 HJAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CCc1cccc(Cl)c1Cl ZINC000032924441 523518429 /nfs/dbraw/zinc/51/84/29/523518429.db2.gz CYEZKIOKIGQHNN-UHFFFAOYSA-N 0 0 402.325 4.829 50 0 HJAARN CCc1c2c(N)c(C(=O)Nc3ccccc3F)sc2nc2c1C(=O)CC(C)(C)C2 ZINC000000630189 523730576 /nfs/dbraw/zinc/73/05/76/523730576.db2.gz PYQQXEPAXNDOCM-UHFFFAOYSA-N 0 0 411.502 4.987 50 0 HJAARN COc1ccc(C(C)=O)cc1CC(=O)N(C1=N[C@@H](C)CS1)c1ccc(Cl)cc1 ZINC000007735285 523790609 /nfs/dbraw/zinc/79/06/09/523790609.db2.gz SULDJKYXXPNPLE-ZDUSSCGKSA-N 0 0 416.930 4.618 50 0 HJAARN CCc1cc2oc(=O)cc(COC(=O)CCOc3ccccc3OC)c2cc1Cl ZINC000032910335 523851046 /nfs/dbraw/zinc/85/10/46/523851046.db2.gz VZLIRCMWVAMCQP-UHFFFAOYSA-N 0 0 416.857 4.530 50 0 HJAARN CCc1ccc(-n2nc(C)c3c2nc(OCC(=O)Nc2ccc(F)cc2)cc3C)cc1 ZINC000045990652 523869062 /nfs/dbraw/zinc/86/90/62/523869062.db2.gz FHJPAQGGAVDWOG-UHFFFAOYSA-N 0 0 418.472 4.756 50 0 HJAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(OC(C)C)cc2)cc1 ZINC000239434070 523879731 /nfs/dbraw/zinc/87/97/31/523879731.db2.gz YYEWOFWMPKYEEY-RSXGOPAZSA-N 0 0 414.505 5.725 50 0 HJAARN CCc1cccc(CC)c1NC(=O)N1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000043339716 524068460 /nfs/dbraw/zinc/06/84/60/524068460.db2.gz BPEHCVFSISLBBF-UHFFFAOYSA-N 0 0 409.530 4.703 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)NCCn1c2ccccc2nc1C(F)(F)F ZINC000032951146 524236831 /nfs/dbraw/zinc/23/68/31/524236831.db2.gz NRUBARGUKZGHFJ-UHFFFAOYSA-N 0 0 412.799 4.539 50 0 HJAARN Cc1cc(C)c2c(=O)cc(C(=O)Nc3nc(SCc4ccccc4)ns3)oc2c1 ZINC000032593803 524342676 /nfs/dbraw/zinc/34/26/76/524342676.db2.gz MOTVZBCPNFNJFW-UHFFFAOYSA-N 0 0 423.519 4.806 50 0 HJAARN COc1ccccc1CN1COc2c(Cl)cc3c4c(c(=O)oc3c2C1)CCCC4 ZINC000020502024 524455211 /nfs/dbraw/zinc/45/52/11/524455211.db2.gz WQSDPCMVSOZWOR-UHFFFAOYSA-N 0 0 411.885 4.686 50 0 HJAARN C[C@@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)[C@H]2CCCC[C@@H]12 ZINC000032923107 524487238 /nfs/dbraw/zinc/48/72/38/524487238.db2.gz ARPAUOSNBZKAIQ-WTNAPCKOSA-N 0 0 412.555 4.528 50 0 HJAARN Cc1cc(C)n(-c2cccc(NC(=O)c3nn(-c4ccc(F)cc4)c4c3CCC4)c2)n1 ZINC000032915523 524493585 /nfs/dbraw/zinc/49/35/85/524493585.db2.gz DUEYNIAYYPFXDW-UHFFFAOYSA-N 0 0 415.472 4.555 50 0 HJAARN Cc1cccc(N2CCN(c3ncnc4onc(-c5ccc(Cl)cc5)c43)C[C@H]2C)c1 ZINC000020329540 524563072 /nfs/dbraw/zinc/56/30/72/524563072.db2.gz XXQRYWZNXBWGIR-MRXNPFEDSA-N 0 0 419.916 4.962 50 0 HJAARN COc1ccc(NC(=O)[C@@H](C)S(=O)(=O)Cc2c(C)cc(C(C)(C)C)cc2C)cc1 ZINC000032796801 524586237 /nfs/dbraw/zinc/58/62/37/524586237.db2.gz RXYJWHXQYBXYSN-QGZVFWFLSA-N 0 0 417.571 4.552 50 0 HJAARN COc1ccccc1NC(=O)CSc1ncc(-c2ccc(Br)cc2)o1 ZINC000045943243 524600201 /nfs/dbraw/zinc/60/02/01/524600201.db2.gz SBTBVAMINNNFIH-UHFFFAOYSA-N 0 0 419.300 4.844 50 0 HJAARN Cc1cccc(NC(=O)Cn2c3ccccc3nc2C(=O)c2ccc(Cl)cc2)c1 ZINC000032959134 524609249 /nfs/dbraw/zinc/60/92/49/524609249.db2.gz TWNNRIFRLOXYSS-UHFFFAOYSA-N 0 0 403.869 4.868 50 0 HJAARN C[C@H](NC(=O)CCCc1nc(-c2cccs2)no1)c1cccc(Br)c1 ZINC000032924580 524932169 /nfs/dbraw/zinc/93/21/69/524932169.db2.gz HAWGZEGDTAOJKN-LBPRGKRZSA-N 0 0 420.332 4.761 50 0 HJAARN CC(=O)c1cc(F)c(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1C ZINC000001514972 534820551 /nfs/dbraw/zinc/82/05/51/534820551.db2.gz BLDAITKOGFHQCB-UHFFFAOYSA-N 0 0 409.288 4.606 50 0 HJAARN C[C@H](NC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000032863032 525014177 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CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)c(F)c1 ZINC000011006919 534850835 /nfs/dbraw/zinc/85/08/35/534850835.db2.gz NOHVWAMMTFCYBP-UHFFFAOYSA-N 0 0 418.468 4.783 50 0 HJAARN COc1ccc2c(c1)C=C(C(=O)Nc1ncc(Cc3ccccc3F)s1)C=CO2 ZINC000019810010 525511109 /nfs/dbraw/zinc/51/11/09/525511109.db2.gz NHMSCWUIYJCPTI-UHFFFAOYSA-N 0 0 408.454 4.810 50 0 HJAARN Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1 ZINC000032593545 525632400 /nfs/dbraw/zinc/63/24/00/525632400.db2.gz AGDQJMUCAPURLA-UHFFFAOYSA-N 0 0 409.385 4.692 50 0 HJAARN Cc1cc2nc(CSc3ccccc3NC(=O)Nc3ccc(F)cc3)cc(=O)n2o1 ZINC000041089685 525675773 /nfs/dbraw/zinc/67/57/73/525675773.db2.gz IVSDLHGIJNIXDT-UHFFFAOYSA-N 0 0 424.457 4.671 50 0 HJAARN Cc1cc2nn(CN(Cc3ccccn3)[C@@H]3CCSC3)c(=S)n2c2ccccc12 ZINC000040149124 525688644 /nfs/dbraw/zinc/68/86/44/525688644.db2.gz LQYAFFSDAZBGQS-GOSISDBHSA-N 0 0 421.595 4.687 50 0 HJAARN C[C@H](OC(=O)/C=C\c1cccc2cccnc12)C(=O)Nc1ncc(Cl)cc1Cl ZINC000098003463 525879017 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557559039 /nfs/dbraw/zinc/55/90/39/557559039.db2.gz ROVHUKRPHIXRJL-UHFFFAOYSA-N 0 0 414.914 4.909 50 0 HJAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1c(OC)cccc1OC ZINC000004487754 557559041 /nfs/dbraw/zinc/55/90/41/557559041.db2.gz MQZYQHQKYZLNAC-UHFFFAOYSA-N 0 0 404.422 4.773 50 0 HJAARN Cc1ccc(/C=C/C(=O)NCCCCCCNC(=O)/C=C/c2ccc(C)cc2)cc1 ZINC000004523389 557563440 /nfs/dbraw/zinc/56/34/40/557563440.db2.gz KZTDMQYWPNRVTJ-YTEMWHBBSA-N 0 0 404.554 4.823 50 0 HJAARN Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)s2)c2ccccc21 ZINC000004555131 557567081 /nfs/dbraw/zinc/56/70/81/557567081.db2.gz JZFURZPKPJDRHN-JOCHJYFZSA-N 0 0 411.910 4.717 50 0 HJAARN Cc1ccc(CN2c3ccc(Cl)cc3[C@](O)([C@H](C)C(=O)c3ccccc3)C2=O)cc1 ZINC000004555179 557567273 /nfs/dbraw/zinc/56/72/73/557567273.db2.gz CGFKVWYQIACLEN-CRICUBBOSA-N 0 0 419.908 4.902 50 0 HJAARN CC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@H]3[C@H]4C[C@H]5OC(=O)[C@H]3[C@H]5C4)cc2)cc1 ZINC000004610784 557572002 /nfs/dbraw/zinc/57/20/02/557572002.db2.gz 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ZINC000004672216 557579879 /nfs/dbraw/zinc/57/98/79/557579879.db2.gz SQILBCLFGUCPLM-DEOSSOPVSA-N 0 0 405.881 4.656 50 0 HJAARN CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1ccccc1Cl ZINC000004690472 557581574 /nfs/dbraw/zinc/58/15/74/557581574.db2.gz QOGDJXYFROAYCS-UHFFFAOYSA-N 0 0 416.934 4.666 50 0 HJAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(C(C)C)cc2)n2ncnc2N1 ZINC000004723431 557586691 /nfs/dbraw/zinc/58/66/91/557586691.db2.gz PZITTZAQPCLBPM-HXUWFJFHSA-N 0 0 407.905 4.983 50 0 HJAARN Fc1ccc(-c2cc(C(F)(F)F)nc(N3CCN(c4ccccc4)CC3)n2)cc1 ZINC000004734318 557588870 /nfs/dbraw/zinc/58/88/70/557588870.db2.gz NDWAQNUKRDANAR-UHFFFAOYSA-N 0 0 402.395 4.628 50 0 HJAARN COc1ccc(CNC(=O)CCc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)cc1 ZINC000004743845 557591550 /nfs/dbraw/zinc/59/15/50/557591550.db2.gz IWDHMJJIVUUUOQ-UHFFFAOYSA-N 0 0 419.477 4.722 50 0 biogenic HJAARN CCCc1cc2c(cc1O[C@@H](C)C(=O)OCC)occ(-c1nc(C)cs1)c2=O ZINC000004746183 557591889 /nfs/dbraw/zinc/59/18/89/557591889.db2.gz HIPJZLHWUYCMCA-ZDUSSCGKSA-N 0 0 401.484 4.508 50 0 HJAARN COc1ccc(CCNc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)cc1OC ZINC000004757696 557594883 /nfs/dbraw/zinc/59/48/83/557594883.db2.gz NORYMXXHSPGPNW-UHFFFAOYSA-N 0 0 421.394 4.973 50 0 HJAARN COc1ccc(-c2cc(C(F)(F)F)nc(N(C)Cc3ccccc3)n2)cc1OC ZINC000004757769 557595084 /nfs/dbraw/zinc/59/50/84/557595084.db2.gz HSSQXIAUGBEIBS-UHFFFAOYSA-N 0 0 403.404 4.816 50 0 HJAARN Cc1c(C(=O)OCc2ccc(C)cc2)[nH]c2c1C(=O)C[C@@H](c1ccc(N(C)C)cc1)C2 ZINC000004794586 557598393 /nfs/dbraw/zinc/59/83/93/557598393.db2.gz WIOGHOZCTQHLQO-FQEVSTJZSA-N 0 0 416.521 4.967 50 0 HJAARN COc1cc(C(C)=O)ccc1OC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O ZINC000004810154 557600194 /nfs/dbraw/zinc/60/01/94/557600194.db2.gz BEPAJRUYZLAOCH-UHFFFAOYSA-N 0 0 407.205 4.530 50 0 HJAARN O=C(Nc1ccccc1)[C@H](Cc1ccccc1)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004820703 557602685 /nfs/dbraw/zinc/60/26/85/557602685.db2.gz IOAJEGDZVOBWKK-GKWUYRECSA-N 0 0 402.538 4.569 50 0 HJAARN Cc1ccc(SCCNC(=O)CSCc2ccc(Br)cc2)cc1 ZINC000004829059 557603911 /nfs/dbraw/zinc/60/39/11/557603911.db2.gz ZJQALNFRWPGDSS-UHFFFAOYSA-N 0 0 410.402 4.899 50 0 HJAARN CCCCC[C@@H](C)Nc1nc(-c2ccc(OC)c(OC)c2)ncc1C(=O)OCC ZINC000022649081 557606205 /nfs/dbraw/zinc/60/62/05/557606205.db2.gz GVIQZNOQKMLDID-OAHLLOKOSA-N 0 0 401.507 4.718 50 0 HJAARN COc1cc(/C=C/c2ccc3cccc(OC(C)=O)c3n2)c(Cl)cc1OC(C)=O ZINC000004906006 557611950 /nfs/dbraw/zinc/61/19/50/557611950.db2.gz USLVYEYPOZGROQ-CSKARUKUSA-N 0 0 411.841 4.918 50 0 HJAARN Cc1nc2sc3c(c2c(=N)n1N)C[C@@H](c1ccccc1)S[C@H]3c1ccccc1 ZINC000004950154 557616304 /nfs/dbraw/zinc/61/63/04/557616304.db2.gz MCDQFFDUGYETJT-HKUYNNGSSA-N 0 0 404.564 4.719 50 0 HJAARN CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)cc1 ZINC000004951588 557616608 /nfs/dbraw/zinc/61/66/08/557616608.db2.gz CWBBLDIIJKYDTB-UHFFFAOYSA-N 0 0 412.961 4.806 50 0 HJAARN COc1ccc2ccccc2c1[C@H]1Nc2ccccc2-c2nnc(SC)nc2O1 ZINC000004982526 557620418 /nfs/dbraw/zinc/62/04/18/557620418.db2.gz IFQZEOXRDDOBNA-FQEVSTJZSA-N 0 0 402.479 4.925 50 0 HJAARN C[C@@H](Sc1nc(-c2ccccc2)cc(=O)[nH]1)C(=O)Nc1nc2ccccc2s1 ZINC000004999498 557623582 /nfs/dbraw/zinc/62/35/82/557623582.db2.gz JHJNOTWKBRZHKI-GFCCVEGCSA-N 0 0 408.508 4.578 50 0 HJAARN COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CCCC[C@H]4C)c3N2)c1 ZINC000005017791 557626297 /nfs/dbraw/zinc/62/62/97/557626297.db2.gz TYPHZDMKCNQLCF-JEBQAFNWSA-N 0 0 422.451 4.567 50 0 HJAARN COc1ccc(I)cc1/C=C/c1ccc2cccc(O)c2n1 ZINC000005049421 557630171 /nfs/dbraw/zinc/63/01/71/557630171.db2.gz POBKAENWLMKZDT-RMKNXTFCSA-N 0 0 403.219 4.724 50 0 HJAARN CCOC(=O)c1c(C)c(C(=O)Nc2ccc(Br)c(C)c2)c(C)n1CC ZINC000005054643 557631560 /nfs/dbraw/zinc/63/15/60/557631560.db2.gz XTRHVPGJWFLMDC-UHFFFAOYSA-N 0 0 407.308 4.625 50 0 HJAARN Fc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2cccs2)cc1 ZINC000005065767 557633913 /nfs/dbraw/zinc/63/39/13/557633913.db2.gz IKCGWVUTHIGBAR-SFTDATJTSA-N 0 0 402.454 4.691 50 0 HJAARN CCOC(=O)N1CCN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1 ZINC000005102956 557636669 /nfs/dbraw/zinc/63/66/69/557636669.db2.gz DCCWNYJXGNAWRL-UHFFFAOYSA-N 0 0 418.946 4.547 50 0 HJAARN CCCCC(=O)N[C@@H](NC(=S)Nc1cc(C)ccc1C)C(Cl)(Cl)Cl ZINC000005261149 557642343 /nfs/dbraw/zinc/64/23/43/557642343.db2.gz RCSWWAQUJVMVEU-AWEZNQCLSA-N 0 0 410.798 4.593 50 0 HJAARN O=C(Nc1cccc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)c1)[C@@H]1CCCO1 ZINC000005491388 557657318 /nfs/dbraw/zinc/65/73/18/557657318.db2.gz VSVQQEJVLVVSMK-QFIPXVFZSA-N 0 0 411.461 4.578 50 0 HJAARN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1c(C)cc(C)cc1C ZINC000005501595 557658619 /nfs/dbraw/zinc/65/86/19/557658619.db2.gz FOJLCDMTCVVYAY-UHFFFAOYSA-N 0 0 424.570 4.841 50 0 HJAARN O=Cc1cc(Cl)c(OCc2ccc(I)cc2)c(Cl)c1 ZINC000005768524 557673740 /nfs/dbraw/zinc/67/37/40/557673740.db2.gz SGTRJVVXRMVFJI-UHFFFAOYSA-N 0 0 407.034 4.990 50 0 HJAARN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)cc1 ZINC000005833443 557676637 /nfs/dbraw/zinc/67/66/37/557676637.db2.gz SOLDESXEIFJAHV-UHFFFAOYSA-N 0 0 409.507 4.739 50 0 HJAARN CCOC(=O)c1c(NC(=O)c2cc(OC)cc(OC)c2)sc2c1CC[C@@H](CC)C2 ZINC000005875427 557678554 /nfs/dbraw/zinc/67/85/54/557678554.db2.gz BPPTXVBJVFFESV-CYBMUJFWSA-N 0 0 417.527 4.709 50 0 HJAARN C[C@@H](NC(=O)COC(=O)c1ccc(COc2ccccc2)o1)c1ccccc1Cl ZINC000010564446 557682693 /nfs/dbraw/zinc/68/26/93/557682693.db2.gz BFTLTBPOXXEOGQ-OAHLLOKOSA-N 0 0 413.857 4.546 50 0 HJAARN Cc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccc(Cl)cc4)[C@@H]3c3cccs3)C2=O)cc1 ZINC000006142197 557690241 /nfs/dbraw/zinc/69/02/41/557690241.db2.gz KCHGDRJDKWKBQG-AQNXPRMDSA-N 0 0 424.909 4.761 50 0 HJAARN Cc1cc(NC(=O)c2cc(-c3ccccn3)nc3ccc(Br)cc32)no1 ZINC000006428785 557702169 /nfs/dbraw/zinc/70/21/69/557702169.db2.gz FASGRBHQPDMHLH-UHFFFAOYSA-N 0 0 409.243 4.608 50 0 HJAARN CCC(CC)C(=O)NCCN1C(=O)S/C(=C\c2ccc(C(C)(C)C)cc2)C1=O ZINC000006628270 557711074 /nfs/dbraw/zinc/71/10/74/557711074.db2.gz ZKRCVAWCIVNSMQ-JXAWBTAJSA-N 0 0 402.560 4.573 50 0 HJAARN CCc1cccc2c(C(=O)C(=O)NCCc3ccccc3)cn(Cc3ccccc3)c21 ZINC000006659312 557712525 /nfs/dbraw/zinc/71/25/25/557712525.db2.gz RCFQKOCPBZAQKJ-UHFFFAOYSA-N 0 0 410.517 4.794 50 0 HJAARN O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1ccccc1Cl ZINC000006690923 557715319 /nfs/dbraw/zinc/71/53/19/557715319.db2.gz ZNGAVLUGHDHOPW-UHFFFAOYSA-N 0 0 410.282 4.686 50 0 HJAARN CCOc1ccccc1Nc1nc2ccc(C(=O)c3ccccc3)cc2n2cnnc12 ZINC000006901577 557729269 /nfs/dbraw/zinc/72/92/69/557729269.db2.gz JMRQBGNHSQVHLK-UHFFFAOYSA-N 0 0 409.449 4.651 50 0 HJAARN Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2ccccc2)C3=O)cc1C ZINC000006997009 557732549 /nfs/dbraw/zinc/73/25/49/557732549.db2.gz OLDMWMGPZWYABQ-RUZDIDTESA-N 0 0 414.530 4.783 50 0 HJAARN Cc1cccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2cccc(F)c2)C3=O)c1 ZINC000006997179 557732916 /nfs/dbraw/zinc/73/29/16/557732916.db2.gz KFWMEAVLKYDAFY-DEOSSOPVSA-N 0 0 418.493 4.614 50 0 HJAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccccc2OCc2ccc(F)cc2)c1C ZINC000010587272 557737187 /nfs/dbraw/zinc/73/71/87/557737187.db2.gz KWUALZADHMNHNE-UHFFFAOYSA-N 0 0 423.440 4.592 50 0 HJAARN CCc1cccc(C)c1N(C(=O)CSc1nc2cc(C)ccc2[nH]1)[C@@H](C)COC ZINC000002666056 557740877 /nfs/dbraw/zinc/74/08/77/557740877.db2.gz GSYKRHBKHPBDPE-KRWDZBQOSA-N 0 0 411.571 4.902 50 0 HJAARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2Cl)N2C(=O)[C@H](C)SC2=N1 ZINC000002701708 557742526 /nfs/dbraw/zinc/74/25/26/557742526.db2.gz YQXRMLNCJYTHIF-BONVTDFDSA-N 0 0 413.326 4.594 50 0 HJAARN CC(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nncs2)cc1 ZINC000002704349 557743347 /nfs/dbraw/zinc/74/33/47/557743347.db2.gz NLIURDXSTUQKIW-GOSISDBHSA-N 0 0 403.463 4.518 50 0 HJAARN Cc1ccc(CN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(O)cc2)cc1 ZINC000002704530 557743399 /nfs/dbraw/zinc/74/33/99/557743399.db2.gz XOJOQGZTECCHTQ-JOCHJYFZSA-N 0 0 415.420 4.692 50 0 HJAARN Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C(C)C)s2)cc1 ZINC000002704382 557743461 /nfs/dbraw/zinc/74/34/61/557743461.db2.gz MHGSMQFZJPEHRF-SFHVURJKSA-N 0 0 417.490 4.826 50 0 HJAARN COc1cccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccs2)N2NC=NC2=N3)c1 ZINC000002707268 557744190 /nfs/dbraw/zinc/74/41/90/557744190.db2.gz GEVQATVEGQLRGU-FCHUYYIVSA-N 0 0 414.490 4.561 50 0 HJAARN CCOc1ccc(-n2c(SCc3ccc(C)cc3)nc3c(c2=O)SCC3)cc1 ZINC000002719918 557746557 /nfs/dbraw/zinc/74/65/57/557746557.db2.gz MZIJNCDOKDSGMB-UHFFFAOYSA-N 0 0 410.564 4.880 50 0 HJAARN CN(C)C(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccccc1Cl)CC2 ZINC000007563041 557747194 /nfs/dbraw/zinc/74/71/94/557747194.db2.gz MRIYPRXEPUPGKY-DTQAZKPQSA-N 0 0 420.896 4.620 50 0 HJAARN Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000002723028 557748069 /nfs/dbraw/zinc/74/80/69/557748069.db2.gz ZOSGBYMULQIZHG-UHFFFAOYSA-N 0 0 407.417 4.810 50 0 HJAARN Cc1cccc(CN2CCc3c(OCC(=O)Nc4cccc(C)c4)cccc3C2=O)c1 ZINC000002716543 557750475 /nfs/dbraw/zinc/75/04/75/557750475.db2.gz ZJTXDEGDCMJMOA-UHFFFAOYSA-N 0 0 414.505 4.519 50 0 HJAARN CC(C)Oc1ccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@H]2c2ccccc2)cc1 ZINC000002724813 557753182 /nfs/dbraw/zinc/75/31/82/557753182.db2.gz NMCPGHFUYDAWNU-XMMPIXPASA-N 0 0 418.468 4.797 50 0 HJAARN Cc1ccc(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)c(Br)c1 ZINC000002725268 557753577 /nfs/dbraw/zinc/75/35/77/557753577.db2.gz YDISGEMBYDYIFD-UHFFFAOYSA-N 0 0 417.181 4.567 50 0 HJAARN CCOC(=O)c1c(NC(=O)c2cc(Br)cs2)sc2c1CCCC2 ZINC000002731338 557754332 /nfs/dbraw/zinc/75/43/32/557754332.db2.gz DVPGQYNVLPTXBC-UHFFFAOYSA-N 0 0 414.346 4.880 50 0 HJAARN Cc1ccc(CSc2nc3ccccc3c(=O)n2CCn2cc(Cl)cn2)cc1 ZINC000002733783 557755183 /nfs/dbraw/zinc/75/51/83/557755183.db2.gz WFWVUMLACDHKIO-UHFFFAOYSA-N 0 0 410.930 4.547 50 0 HJAARN COC(=O)c1cc(Cc2ccccc2)sc1NC(=O)COc1ccc(Cl)cc1 ZINC000002764411 557756415 /nfs/dbraw/zinc/75/64/15/557756415.db2.gz QWTUUHUTFUSQGN-UHFFFAOYSA-N 0 0 415.898 4.796 50 0 HJAARN O=C(NCc1ccncc1)c1cc(-c2ccccc2)nc2ccc(Br)cc21 ZINC000002760309 557758457 /nfs/dbraw/zinc/75/84/57/557758457.db2.gz OPLFIJXJRNOQPU-UHFFFAOYSA-N 0 0 418.294 4.989 50 0 HJAARN COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)c1 ZINC000002799515 557762291 /nfs/dbraw/zinc/76/22/91/557762291.db2.gz JXFUMRFDBBWOAB-UHFFFAOYSA-N 0 0 406.410 4.681 50 0 HJAARN Cc1cc(OC(F)F)ccc1NC(=O)CSc1nccc(-c2ccc(F)cc2)n1 ZINC000002793528 557764907 /nfs/dbraw/zinc/76/49/07/557764907.db2.gz JCFMVLUEPXKEJP-UHFFFAOYSA-N 0 0 419.428 4.923 50 0 HJAARN COc1cc(NC(=O)c2ccc(C)cc2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000002794279 557764911 /nfs/dbraw/zinc/76/49/11/557764911.db2.gz LSYDWMRWAHMTAY-UHFFFAOYSA-N 0 0 415.898 4.742 50 0 HJAARN Cc1ccc(NC(=O)CSc2nccc(-c3ccc(OC(F)F)cc3)n2)cc1 ZINC000002806661 557767069 /nfs/dbraw/zinc/76/70/69/557767069.db2.gz RZQKVVSOVZJQRS-UHFFFAOYSA-N 0 0 401.438 4.784 50 0 HJAARN O=C(CSc1nccc(-c2cccc(OC(F)F)c2)n1)c1ccc(F)cc1F ZINC000002808927 557767472 /nfs/dbraw/zinc/76/74/72/557767472.db2.gz GYEARUUHFQYMTO-UHFFFAOYSA-N 0 0 408.376 4.998 50 0 HJAARN CCOc1ccccc1NC(=O)CSc1nc(-c2ccccc2Cl)ns1 ZINC000002925007 557772504 /nfs/dbraw/zinc/77/25/04/557772504.db2.gz ZJCWJFMDPCYQGD-UHFFFAOYSA-N 0 0 405.932 4.988 50 0 HJAARN CC(C)c1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(NC(=O)C4CCC4)c3)C2)c1 ZINC000033296668 557783231 /nfs/dbraw/zinc/78/32/31/557783231.db2.gz CVRFNKKYPVUWBI-IBGZPJMESA-N 0 0 419.525 4.540 50 0 HJAARN CSc1nnc2c(n1)O[C@@H]([C@H]1CC=C(C)CC1)Nc1ccc(Br)cc1-2 ZINC000008452717 557790981 /nfs/dbraw/zinc/79/09/81/557790981.db2.gz XEVOKVAMDQKPEH-ZBEGNZNMSA-N 0 0 419.348 4.900 50 0 HJAARN Cc1cc(C(=O)CSc2nnc(-c3cccs3)o2)c(C)n1CC(F)(F)F ZINC000022709505 557801258 /nfs/dbraw/zinc/80/12/58/557801258.db2.gz RIGPURBCMMYHAE-UHFFFAOYSA-N 0 0 401.435 4.754 50 0 HJAARN COc1cccc(-c2nsc(NC(=O)CCc3ccccc3OC(F)(F)F)n2)c1 ZINC000097545695 557823774 /nfs/dbraw/zinc/82/37/74/557823774.db2.gz WGLUCCBUMFNUGN-UHFFFAOYSA-N 0 0 423.416 4.684 50 0 HJAARN CC(C)C(=O)Nc1ccc(C(=O)Nc2nnc(CSc3ccccc3)s2)cc1 ZINC000009196929 557827848 /nfs/dbraw/zinc/82/78/48/557827848.db2.gz WVNVCYHQZWELDV-UHFFFAOYSA-N 0 0 412.540 4.677 50 0 HJAARN Cc1ccc(C(=O)Nc2nnc([C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)s2)cc1C ZINC000009199764 557828992 /nfs/dbraw/zinc/82/89/92/557828992.db2.gz MOBDRDUTJIKHCH-SFHVURJKSA-N 0 0 420.538 4.545 50 0 HJAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000009226929 557830614 /nfs/dbraw/zinc/83/06/14/557830614.db2.gz SKVDCOUDHMFXFY-NSHDSACASA-N 0 0 416.321 4.716 50 0 HJAARN Fc1ccc(-c2nn3c(CCc4ccccc4)nnc3s2)cc1Br ZINC000009576513 557845926 /nfs/dbraw/zinc/84/59/26/557845926.db2.gz MNNUKYPJDGOWGL-UHFFFAOYSA-N 0 0 403.280 4.540 50 0 HJAARN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1C ZINC000009614788 557846989 /nfs/dbraw/zinc/84/69/89/557846989.db2.gz URFFWKMQTAZDKK-UHFFFAOYSA-N 0 0 423.325 4.528 50 0 HJAARN Cc1cc(C)c(-c2csc(NC(=O)CCS(=O)(=O)c3ccccc3)n2)c(C)c1 ZINC000004325500 557857253 /nfs/dbraw/zinc/85/72/53/557857253.db2.gz LGFJGMHUPXQMGC-UHFFFAOYSA-N 0 0 414.552 4.538 50 0 HJAARN CCOc1cc(CN(C(=S)NC2CCCC2)C2Cc3ccccc3C2)ccc1O ZINC000010493864 558258523 /nfs/dbraw/zinc/25/85/23/558258523.db2.gz BOBIFHVXBIADQW-UHFFFAOYSA-N 0 0 410.583 4.577 50 0 HJAARN COc1ccc(N[C@H]2CCCN(C(=O)c3cccc4c(C)c(C)[nH]c43)C2)cc1OC ZINC000011665319 558268716 /nfs/dbraw/zinc/26/87/16/558268716.db2.gz RNWABHNNZFCURA-SFHVURJKSA-N 0 0 407.514 4.519 50 0 HJAARN CN(Cc1nc2ccccc2n1CCOc1ccc(Cl)cc1)C(=O)c1ccco1 ZINC000011667135 558269149 /nfs/dbraw/zinc/26/91/49/558269149.db2.gz UMJVTKDWIXKRSF-UHFFFAOYSA-N 0 0 409.873 4.634 50 0 HJAARN COc1ccccc1OCCCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccco1 ZINC000011667394 558269485 /nfs/dbraw/zinc/26/94/85/558269485.db2.gz ITHWFIZDIGFVSK-QGZVFWFLSA-N 0 0 419.481 4.598 50 0 HJAARN COc1cc(OC)c(OC)cc1CN1CCC[C@@H](C(=O)c2ccccc2SC)C1 ZINC000011754224 558273190 /nfs/dbraw/zinc/27/31/90/558273190.db2.gz MZPISNDHKBGTTJ-MRXNPFEDSA-N 0 0 415.555 4.529 50 0 HJAARN Cc1nc2sccn2c1CNc1nc(C)c(-c2ccn(Cc3ccccc3)n2)s1 ZINC000011784807 558275660 /nfs/dbraw/zinc/27/56/60/558275660.db2.gz SWZGOKSNHUXFEF-UHFFFAOYSA-N 0 0 420.567 4.993 50 0 HJAARN O=C(N[C@H]1CCCc2c1cnn2-c1ccccc1F)c1c[nH]nc1C1CCCCC1 ZINC000011819220 558282469 /nfs/dbraw/zinc/28/24/69/558282469.db2.gz KCUXWQXWCOFSBD-IBGZPJMESA-N 0 0 407.493 4.590 50 0 HJAARN COc1ccccc1CCC(=O)N1CCC[C@@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000011843591 558288471 /nfs/dbraw/zinc/28/84/71/558288471.db2.gz BJLBJUPXRDTFIU-OAQYLSRUSA-N 0 0 409.526 4.537 50 0 HJAARN Cc1nn2c(ncc3c(=O)n(-c4ccc(F)cc4)ccc32)c1-c1ccc(Cl)cc1 ZINC000019818869 558288872 /nfs/dbraw/zinc/28/88/72/558288872.db2.gz BZQJXTBIBHBFGS-UHFFFAOYSA-N 0 0 404.832 4.801 50 0 HJAARN CSc1ccccc1OCc1cc(C(=O)N2CCCC[C@@H]2c2nccs2)no1 ZINC000011878408 558292757 /nfs/dbraw/zinc/29/27/57/558292757.db2.gz XLZVCRNHMQTGQB-MRXNPFEDSA-N 0 0 415.540 4.799 50 0 HJAARN COc1cccc(NC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000019841152 558294206 /nfs/dbraw/zinc/29/42/06/558294206.db2.gz ZMGNVVUFDUOJQI-UHFFFAOYSA-N 0 0 417.578 4.799 50 0 aggregator HJAARN Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)C(=O)CCc2ccccc2)n1 ZINC000011934986 558299133 /nfs/dbraw/zinc/29/91/33/558299133.db2.gz HJMQFJOMPWBTKB-AREMUKBSSA-N 0 0 423.516 4.547 50 0 HJAARN Cc1ccccc1O[C@H](C)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019871491 558299804 /nfs/dbraw/zinc/29/98/04/558299804.db2.gz PYHQBSIHJSLTHB-JOCHJYFZSA-N 0 0 414.549 4.696 50 0 HJAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CCN(C(=O)C2CCCC2)CC1 ZINC000011957982 558303823 /nfs/dbraw/zinc/30/38/23/558303823.db2.gz LMPVYCNYQOASNJ-UHFFFAOYSA-N 0 0 417.509 4.862 50 0 HJAARN Cc1nn(C)cc1CN(C)Cc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C ZINC000012022461 558309752 /nfs/dbraw/zinc/30/97/52/558309752.db2.gz VEVWNBXIUCKREJ-UHFFFAOYSA-N 0 0 421.495 4.800 50 0 HJAARN Cc1ccc[nH+]c1[N-][C@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCCC2)C1=O ZINC000019939517 558313671 /nfs/dbraw/zinc/31/36/71/558313671.db2.gz WFOGCQNEPSVXSQ-NRFANRHFSA-N 0 0 416.447 4.682 50 0 HJAARN Cc1nn2c(nnc3c2ccn(-c2cccc(Cl)c2)c3=O)c1-c1cccc(Cl)c1 ZINC000019962776 558316340 /nfs/dbraw/zinc/31/63/40/558316340.db2.gz BBNMJIFYDHNCIQ-UHFFFAOYSA-N 0 0 422.275 4.711 50 0 HJAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)c(C)c1 ZINC000012075133 558319423 /nfs/dbraw/zinc/31/94/23/558319423.db2.gz YEZSFLUFJIBNLG-SFHVURJKSA-N 0 0 419.525 4.756 50 0 HJAARN O=C(c1cc(-c2ccccc2)nc2ccccc21)N1CCN(Cc2ccccc2)CC1 ZINC000020026036 558322609 /nfs/dbraw/zinc/32/26/09/558322609.db2.gz OYENAZRMOIQOAH-UHFFFAOYSA-N 0 0 407.517 4.860 50 0 HJAARN Cc1ccccc1[C@H]1CCCN(C(=O)CC[C@]2(Cc3ccc(F)cc3)CCC(=O)N2)C1 ZINC000012099539 558325838 /nfs/dbraw/zinc/32/58/38/558325838.db2.gz SXTFGBHGMJTWHX-LVXARBLLSA-N 0 0 422.544 4.512 50 0 HJAARN CC1(C)Cc2c3c(nc(N4CCCC4)c2CO1)sc1c3ncnc1N1CCCCC1 ZINC000020057411 558328707 /nfs/dbraw/zinc/32/87/07/558328707.db2.gz CWCLJZZTRHIGNT-UHFFFAOYSA-N 0 0 423.586 4.681 50 0 HJAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000012137234 558334198 /nfs/dbraw/zinc/33/41/98/558334198.db2.gz PNPKYJGGZPNPAX-MOPGFXCFSA-N 0 0 402.494 4.892 50 0 HJAARN Cc1c(C(=O)NCc2ccncc2)sc2ncnc(N[C@H](C)c3cccs3)c12 ZINC000012152753 558339331 /nfs/dbraw/zinc/33/93/31/558339331.db2.gz HCBPJFYUVNIIOE-CYBMUJFWSA-N 0 0 409.540 4.559 50 0 HJAARN Cc1[nH]c2c(cccc2F)c1CC(=O)N[C@H](C)c1cnn(-c2cccc(F)c2)c1C ZINC000020211179 558347525 /nfs/dbraw/zinc/34/75/25/558347525.db2.gz OGFHPIKKZYELFC-CQSZACIVSA-N 0 0 408.452 4.669 50 0 HJAARN O=C(c1cc(C2CC2)on1)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012192550 558348038 /nfs/dbraw/zinc/34/80/38/558348038.db2.gz KFZXYWLGTLXAHS-OAQYLSRUSA-N 0 0 400.478 4.954 50 0 HJAARN COc1cccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2cccc(OC)c2)c1 ZINC000012196653 558349731 /nfs/dbraw/zinc/34/97/31/558349731.db2.gz AVOOUKXSTYTVLC-RDGATRHJSA-N 0 0 416.477 4.955 50 0 HJAARN O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCCN(C(=O)C2=CCCCC2)C1 ZINC000012208482 558353471 /nfs/dbraw/zinc/35/34/71/558353471.db2.gz FOQXYQVKJJZNIZ-IBGZPJMESA-N 0 0 405.498 4.551 50 0 HJAARN Nc1c2cc3c(nc2sc1C(=O)c1ccc(F)cc1)CCN(Cc1ccccc1)C3 ZINC000020289832 558353971 /nfs/dbraw/zinc/35/39/71/558353971.db2.gz AXPDEPILEYTQPS-UHFFFAOYSA-N 0 0 417.509 4.807 50 0 HJAARN O=C(Nc1ccc(F)cc1F)N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000020432057 558362720 /nfs/dbraw/zinc/36/27/20/558362720.db2.gz HSTIIRAEWNILCQ-UHFFFAOYSA-N 0 0 405.448 4.884 50 0 HJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc2ccccc2c(=O)o1 ZINC000012273893 558363377 /nfs/dbraw/zinc/36/33/77/558363377.db2.gz SEMFINFOKYBIHA-UHFFFAOYSA-N 0 0 419.458 4.951 50 0 HJAARN CN(CCc1nc2cc(Cl)ccc2[nH]1)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000020454555 558368362 /nfs/dbraw/zinc/36/83/62/558368362.db2.gz VDQKDBYSYFBWHF-UHFFFAOYSA-N 0 0 402.285 4.594 50 0 HJAARN Cc1cc(CNCc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)nn1C ZINC000012300349 558370419 /nfs/dbraw/zinc/37/04/19/558370419.db2.gz SJFNJMQVGYJFPA-UHFFFAOYSA-N 0 0 409.896 4.664 50 0 HJAARN O=C(c1ccc2nc(Cc3ccccc3F)oc2c1)N1CCC[C@H]1c1ccccn1 ZINC000012308892 558376990 /nfs/dbraw/zinc/37/69/90/558376990.db2.gz CJXUGACDJPCMBC-NRFANRHFSA-N 0 0 401.441 4.930 50 0 HJAARN C[C@H]1CCCCN1Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn21 ZINC000012316968 558380265 /nfs/dbraw/zinc/38/02/65/558380265.db2.gz BXHMBZBIGLORHP-KRWDZBQOSA-N 0 0 422.960 4.561 50 0 HJAARN O=C(c1ccccc1O)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000020509399 558382000 /nfs/dbraw/zinc/38/20/00/558382000.db2.gz OGAVANMOCWPBFA-QHCPKHFHSA-N 0 0 406.913 4.593 50 0 HJAARN O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1S(=O)(=O)Cc1ccccc1 ZINC000020522876 558383647 /nfs/dbraw/zinc/38/36/47/558383647.db2.gz KUNPQUYPILLEDY-UHFFFAOYSA-N 0 0 409.894 4.822 50 0 HJAARN CCOC(=O)Cn1nc(C2CC2)c2c1nc(-c1ccc(F)cc1)cc2C(F)(F)F ZINC000020604545 558387001 /nfs/dbraw/zinc/38/70/01/558387001.db2.gz OOJHVOIXJSBZJE-UHFFFAOYSA-N 0 0 407.367 4.697 50 0 HJAARN Cc1ccc([C@@H]2SC[C@H]3C(=O)N(c4cc(C)ccc4OC(F)F)C(=S)N32)cc1 ZINC000020606382 558387937 /nfs/dbraw/zinc/38/79/37/558387937.db2.gz CXJBLOKRKAHSDA-YJBOKZPZSA-N 0 0 420.506 4.653 50 0 HJAARN Cc1oc(-c2cccs2)nc1CN1CCC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000012373805 558391065 /nfs/dbraw/zinc/39/10/65/558391065.db2.gz CMBFXWCRCCSCMT-JOCHJYFZSA-N 0 0 400.519 4.668 50 0 HJAARN Cc1cc(NC(=O)c2cc3c(C(F)(F)F)nn(C)c3s2)n(-c2ccccc2F)n1 ZINC000020617073 558393531 /nfs/dbraw/zinc/39/35/31/558393531.db2.gz KIILYQISSNHLOZ-UHFFFAOYSA-N 0 0 423.395 4.539 50 0 HJAARN O=C(c1ccccc1OC1CCN(Cc2ccc(F)c(F)c2)CC1)N1CCCCC1 ZINC000012386092 558395023 /nfs/dbraw/zinc/39/50/23/558395023.db2.gz AJGBAPNYBWRDAM-UHFFFAOYSA-N 0 0 414.496 4.634 50 0 HJAARN CC(C)(C)c1ccc(-c2nnc3sc(-c4cncc(Br)c4)nn32)cc1 ZINC000012390316 558396997 /nfs/dbraw/zinc/39/69/97/558396997.db2.gz RSRSRTGWSCMYSC-UHFFFAOYSA-N 0 0 414.332 4.975 50 0 HJAARN O=C([O-])[C@H](c1c[nH]c2cc(F)ccc21)[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000020716778 558401599 /nfs/dbraw/zinc/40/15/99/558401599.db2.gz BUFRXMXROUJKMO-XCLFUZPHSA-N 0 0 409.486 4.922 50 0 HJAARN Cc1ccc2[nH]cc([C@@H](C(=O)[O-])[NH+]3CCN(Cc4cccc5ccccc54)CC3)c2c1 ZINC000020727101 558405152 /nfs/dbraw/zinc/40/51/52/558405152.db2.gz AJNXKNWASOHUHI-VWLOTQADSA-N 0 0 413.521 4.573 50 0 HJAARN O=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1ccc(Br)cc1 ZINC000020728998 558405661 /nfs/dbraw/zinc/40/56/61/558405661.db2.gz WBNVIHHAPTXUNP-UHFFFAOYSA-N 0 0 410.227 4.610 50 0 HJAARN O=C(Nc1ccccn1)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000020736080 558407974 /nfs/dbraw/zinc/40/79/74/558407974.db2.gz NMFDNOLMVWWORB-QHCPKHFHSA-N 0 0 411.505 4.773 50 0 HJAARN Cc1ccc(OCc2cc(C(=O)N(C)Cc3nc4cc(Cl)ccc4[nH]3)no2)cc1C ZINC000012445550 558413749 /nfs/dbraw/zinc/41/37/49/558413749.db2.gz XYDWZAQSRQMXNT-UHFFFAOYSA-N 0 0 424.888 4.672 50 0 HJAARN COc1cc(CN2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cc2c1OCO2 ZINC000012454872 558416813 /nfs/dbraw/zinc/41/68/13/558416813.db2.gz YUNNFRFWIONAQY-MRXNPFEDSA-N 0 0 421.415 4.538 50 0 HJAARN CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(C(=O)Nc2cccc(SC)c2)CC1 ZINC000012474579 558422632 /nfs/dbraw/zinc/42/26/32/558422632.db2.gz JAYBGTRHIXYCJJ-SFHVURJKSA-N 0 0 420.575 4.545 50 0 HJAARN CCCOc1ccccc1C(=O)Oc1ccc(C(=O)OCCOc2ccccc2)cc1 ZINC000010715339 558425906 /nfs/dbraw/zinc/42/59/06/558425906.db2.gz DJSABVGRKHEGMO-UHFFFAOYSA-N 0 0 420.461 4.930 50 0 HJAARN CCOc1ccccc1NC(=O)N1CCC[C@H]1c1nc(-c2ccc(OC)cc2)no1 ZINC000004345354 558427326 /nfs/dbraw/zinc/42/73/26/558427326.db2.gz WQGNOMPFNXOTAO-SFHVURJKSA-N 0 0 408.458 4.513 50 0 HJAARN Cc1c(C(=O)N2CCC[C@](CO)(Cc3ccccc3C)C2)[nH]c2c1c(C)ccc2C ZINC000012570768 558428738 /nfs/dbraw/zinc/42/87/38/558428738.db2.gz SRUBOHZQYNSGKR-SANMLTNESA-N 0 0 404.554 4.859 50 0 HJAARN COc1ccc(-c2nnc([C@H](C)OC(=O)c3cc4ccc(OC)cc4nc3C)o2)cc1 ZINC000010726526 558431326 /nfs/dbraw/zinc/43/13/26/558431326.db2.gz PRZLSGKGHXOUFE-AWEZNQCLSA-N 0 0 419.437 4.528 50 0 HJAARN CC(=O)c1ccccc1C(=O)N1CCC[C@H](CCC(=O)Nc2ccc(F)cc2C)C1 ZINC000012593442 558436640 /nfs/dbraw/zinc/43/66/40/558436640.db2.gz PRAWAIDARWXAMF-GOSISDBHSA-N 0 0 410.489 4.608 50 0 HJAARN CCOc1cccc2cc(-c3csc(NC(=O)[C@H]4COc5ccccc5O4)n3)oc21 ZINC000010750259 558436695 /nfs/dbraw/zinc/43/66/95/558436695.db2.gz GEQYEUNBEPGHBL-LJQANCHMSA-N 0 0 422.462 4.734 50 0 HJAARN CN(Cc1ccccc1Cl)C(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 ZINC000012595364 558437366 /nfs/dbraw/zinc/43/73/66/558437366.db2.gz ZBLFQGRVGNIMIS-UHFFFAOYSA-N 0 0 416.912 4.841 50 0 HJAARN CCc1ccc(-c2csc(NC(=O)C[C@H](NC(C)=O)c3cccs3)n2)s1 ZINC000021447973 558438569 /nfs/dbraw/zinc/43/85/69/558438569.db2.gz AQSZTSWDETXAEB-ZDUSSCGKSA-N 0 0 405.570 4.702 50 0 HJAARN COc1ccc([C@H](CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)NC(C)=O)cc1 ZINC000021466975 558438880 /nfs/dbraw/zinc/43/88/80/558438880.db2.gz KVGCVURYQCHZJQ-DEOSSOPVSA-N 0 0 408.542 4.577 50 0 HJAARN Cc1cc(NC(=O)c2cccc(N3CCCCCC3)n2)n(-c2ccc(Cl)cc2)n1 ZINC000021586288 558442212 /nfs/dbraw/zinc/44/22/12/558442212.db2.gz BJXNYNZUVQZTHS-UHFFFAOYSA-N 0 0 409.921 4.862 50 0 HJAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000072058558 558443430 /nfs/dbraw/zinc/44/34/30/558443430.db2.gz UXDFFQLISYHZSJ-QFIPXVFZSA-N 0 0 400.482 4.733 50 0 HJAARN Cc1ccc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2C)cc1 ZINC000004356282 558443785 /nfs/dbraw/zinc/44/37/85/558443785.db2.gz CUROYXVUVMKBHG-UHFFFAOYSA-N 0 0 400.507 4.921 50 0 HJAARN C[C@@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1cccc2ccccc21 ZINC000021636950 558443976 /nfs/dbraw/zinc/44/39/76/558443976.db2.gz JGYLIGPOXGFTBC-QUCCMNQESA-N 0 0 401.510 4.961 50 0 HJAARN Cc1nc(C)c(-c2ccc(SCC(=O)Nc3cccc(Cl)c3C)nn2)s1 ZINC000004358398 558446606 /nfs/dbraw/zinc/44/66/06/558446606.db2.gz GMVPAQNZLQQJJK-UHFFFAOYSA-N 0 0 404.948 4.910 50 0 HJAARN O=C(NCCCC1CCCC1)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000012701615 558447722 /nfs/dbraw/zinc/44/77/22/558447722.db2.gz YJJYJFNSMCUACL-SFHVURJKSA-N 0 0 410.480 4.531 50 0 HJAARN O=C(CC[C@H]1CCCN(C(=O)Cc2ccc(-c3ccccc3)cc2)C1)N1CCCC1 ZINC000012709563 558451559 /nfs/dbraw/zinc/45/15/59/558451559.db2.gz BPVLPJKHTHHUMC-JOCHJYFZSA-N 0 0 404.554 4.537 50 0 HJAARN CC(C)(C)OC(=O)N1CCN(c2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000144864300 558452928 /nfs/dbraw/zinc/45/29/28/558452928.db2.gz OIHZAJCEJWBQLB-UHFFFAOYSA-N 0 0 409.246 4.525 50 0 HJAARN C[C@@H](NC(=O)CCc1nnc(CCc2c[nH]c3ccccc23)o1)c1ccccc1Cl ZINC000012712635 558453570 /nfs/dbraw/zinc/45/35/70/558453570.db2.gz KTUVUPYYUGZWSX-OAHLLOKOSA-N 0 0 422.916 4.800 50 0 HJAARN Cc1c(C2CCN(S(C)(=O)=O)CC2)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000021885544 558453950 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Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](C)c1ccccc1Br ZINC000012980834 558493379 /nfs/dbraw/zinc/49/33/79/558493379.db2.gz CRAGPYZGAUEIDZ-NSHDSACASA-N 0 0 402.317 4.767 50 0 HJAARN Cc1ccc(-c2csc3ncn(CCC(=O)Nc4ccccc4F)c(=O)c23)cc1 ZINC000012983765 558494499 /nfs/dbraw/zinc/49/44/99/558494499.db2.gz NQYLNJIKPGNGQS-UHFFFAOYSA-N 0 0 407.470 4.601 50 0 HJAARN Cc1ccc(Sc2ccc(NC(=O)Cn3ncc4ccccc4c3=O)cc2)c(C)c1 ZINC000012986688 558495715 /nfs/dbraw/zinc/49/57/15/558495715.db2.gz SGNVORCJRNQSNV-UHFFFAOYSA-N 0 0 415.518 4.803 50 0 HJAARN COc1ccc(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)cc1OC ZINC000013000851 558500321 /nfs/dbraw/zinc/50/03/21/558500321.db2.gz GJZFQZWWDKGLEL-UHFFFAOYSA-N 0 0 418.902 4.953 50 0 HJAARN CC(C)CN(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)C(C)(C)C ZINC000004407801 558501864 /nfs/dbraw/zinc/50/18/64/558501864.db2.gz HIRQROSHARYXAU-UHFFFAOYSA-N 0 0 421.534 4.624 50 0 HJAARN CN(Cc1ccco1)C(=O)COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000022703113 558505708 /nfs/dbraw/zinc/50/57/08/558505708.db2.gz 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ZINC000023043507 558531674 /nfs/dbraw/zinc/53/16/74/558531674.db2.gz WEMPLEXXOPQEJP-MRXNPFEDSA-N 0 0 420.538 4.880 50 0 HJAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)NCc3coc(-c4cccs4)n3)c12 ZINC000023195247 558542103 /nfs/dbraw/zinc/54/21/03/558542103.db2.gz OBGQTTHNPRFZEJ-UHFFFAOYSA-N 0 0 416.462 4.845 50 0 HJAARN Cc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cc4cc(C)ccc4nc3Cl)C2)cc1 ZINC000004426778 558544280 /nfs/dbraw/zinc/54/42/80/558544280.db2.gz RTSFIIDWWNOMAE-FQEVSTJZSA-N 0 0 413.930 4.616 50 0 HJAARN C[C@H](c1ccon1)N(C)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000013594429 558546608 /nfs/dbraw/zinc/54/66/08/558546608.db2.gz HJPICJMHBDHMLH-QGZVFWFLSA-N 0 0 416.481 4.508 50 0 HJAARN O=c1/c(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2nc3ccccc3n12 ZINC000013603228 558547868 /nfs/dbraw/zinc/54/78/68/558547868.db2.gz WEYNSXOASCSANG-WQRHYEAKSA-N 0 0 412.392 4.736 50 0 HJAARN COC(=O)c1cccc(NC(=O)N2CCc3ccccc3[C@@H]2c2ccc(F)cc2)c1 ZINC000023332587 558549551 /nfs/dbraw/zinc/54/95/51/558549551.db2.gz 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ZINC000013684287 558568505 /nfs/dbraw/zinc/56/85/05/558568505.db2.gz IZMNCSLVOYQHFU-UHFFFAOYSA-N 0 0 408.885 4.596 50 0 HJAARN Cc1nc(-c2ccccc2Cl)sc1C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000013688931 558571408 /nfs/dbraw/zinc/57/14/08/558571408.db2.gz HHJTUIKKJXUQOO-UHFFFAOYSA-N 0 0 409.902 4.664 50 0 HJAARN COc1cc(CCNC(=O)CSCc2cccc(Cl)c2)ccc1OC(F)F ZINC000023953098 558582224 /nfs/dbraw/zinc/58/22/24/558582224.db2.gz IUSSAPUWXVGMPG-UHFFFAOYSA-N 0 0 415.889 4.542 50 0 HJAARN COc1ccc2[nH]cc(CCNC(=O)c3sc(-c4cccc(OC)c4)nc3C)c2c1 ZINC000013722212 558582505 /nfs/dbraw/zinc/58/25/05/558582505.db2.gz VSIVZDUMLZKOPD-UHFFFAOYSA-N 0 0 421.522 4.590 50 0 HJAARN COc1ccc(-n2c(C)nc3ccc(OCc4cccc(Cl)c4)cc3c2=O)cc1 ZINC000013726256 558584335 /nfs/dbraw/zinc/58/43/35/558584335.db2.gz JCTIICYIOJCVMT-UHFFFAOYSA-N 0 0 406.869 4.935 50 0 HJAARN COc1ccc(OC)c(NC(=O)CSCc2c(C)cc(C)c(C(C)=O)c2C)c1 ZINC000024072048 558587586 /nfs/dbraw/zinc/58/75/86/558587586.db2.gz NUCHDPVINJOUSW-UHFFFAOYSA-N 0 0 401.528 4.704 50 0 HJAARN CC(C)C(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc2nccnc2c1 ZINC000013734730 558588208 /nfs/dbraw/zinc/58/82/08/558588208.db2.gz WENLFXBFGGICOV-FQEVSTJZSA-N 0 0 423.314 4.726 50 0 HJAARN Cc1[nH]c2ccccc2c1C(=O)N1CCN([C@H](C)c2nc3ccccc3s2)CC1 ZINC000024398259 558597163 /nfs/dbraw/zinc/59/71/63/558597163.db2.gz JJNHWHKOFCBDAK-MRXNPFEDSA-N 0 0 404.539 4.605 50 0 HJAARN Cc1ccc(C(=O)C2CCN(C(=O)Cc3coc(-c4ccccc4)n3)CC2)c(C)c1 ZINC000024454828 558598058 /nfs/dbraw/zinc/59/80/58/558598058.db2.gz KMJLEARDGBVDAC-UHFFFAOYSA-N 0 0 402.494 4.622 50 0 HJAARN Cc1[nH]c(C(=O)N(Cc2ccco2)Cc2cccs2)c(C)c1C(=O)OC(C)C ZINC000024460939 558598195 /nfs/dbraw/zinc/59/81/95/558598195.db2.gz ZOFJJEPXSGJJNJ-UHFFFAOYSA-N 0 0 400.500 4.694 50 0 HJAARN COc1ccc(-c2nnc(SCC(=O)O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)o2)cc1 ZINC000004475405 558599898 /nfs/dbraw/zinc/59/98/98/558599898.db2.gz RKIUBYAZWFCVKE-JCGIZDLHSA-N 0 0 404.532 4.841 50 0 HJAARN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000024536999 558600611 /nfs/dbraw/zinc/60/06/11/558600611.db2.gz MWOOMPKBISRABR-INIZCTEOSA-N 0 0 408.498 4.654 50 0 HJAARN CN(Cc1cnn(C)c1)c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c21 ZINC000024585977 558601787 /nfs/dbraw/zinc/60/17/87/558601787.db2.gz GNKZPHYJNOGJLP-UHFFFAOYSA-N 0 0 412.522 4.790 50 0 HJAARN Cc1cc(C)c(NC(=O)CSc2nccn(-c3cc(C)cc(C)c3)c2=O)c(C)c1 ZINC000004484249 558603451 /nfs/dbraw/zinc/60/34/51/558603451.db2.gz PZYDVJCEPWFSGQ-UHFFFAOYSA-N 0 0 407.539 4.505 50 0 HJAARN Cc1cccc(-c2nnc3sc(COc4ccc(Br)cc4)nn32)c1 ZINC000013945101 558606674 /nfs/dbraw/zinc/60/66/74/558606674.db2.gz WSTMLLUWMOVBDI-UHFFFAOYSA-N 0 0 401.289 4.503 50 0 HJAARN CCn1c(SCc2ccc(I)cc2)nnc1-c1ccccc1 ZINC000013945533 558606965 /nfs/dbraw/zinc/60/69/65/558606965.db2.gz HNTIVSWOYUHMRF-UHFFFAOYSA-N 0 0 421.307 4.862 50 0 HJAARN Cc1nc(C(F)(F)F)ccc1C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000024677731 558607215 /nfs/dbraw/zinc/60/72/15/558607215.db2.gz BXLQQCXCYIIYTI-UHFFFAOYSA-N 0 0 407.373 4.513 50 0 HJAARN O=C(CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc21)Nc1ccc(F)cc1 ZINC000013955653 558607637 /nfs/dbraw/zinc/60/76/37/558607637.db2.gz DVIVITPXSBQELK-DEOSSOPVSA-N 0 0 413.452 4.881 50 0 HJAARN COc1ccccc1C1=NO[C@@H](C(=O)Nc2ccccc2Sc2ccccc2)C1 ZINC000013961078 558608984 /nfs/dbraw/zinc/60/89/84/558608984.db2.gz AJOWRTQROZHVDR-OAQYLSRUSA-N 0 0 404.491 4.978 50 0 HJAARN O=C(Cc1csc(-c2ccc(F)cc2)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000013984670 558610534 /nfs/dbraw/zinc/61/05/34/558610534.db2.gz FDKFQXGNIJKQCO-LJQANCHMSA-N 0 0 424.497 4.627 50 0 HJAARN Cc1ccc(-c2noc(CCC(=O)N3CCC[C@H]3c3nc4ccccc4s3)n2)cc1 ZINC000014014851 558613544 /nfs/dbraw/zinc/61/35/44/558613544.db2.gz RWVXMOBMSAIJLE-SFHVURJKSA-N 0 0 418.522 4.951 50 0 HJAARN COc1ccc2cc([C@@H](C)C(=O)NCc3cccc(NC(=O)C4CC4)c3)ccc2c1 ZINC000024837242 558616199 /nfs/dbraw/zinc/61/61/99/558616199.db2.gz UUUXULDMGNGRRS-MRXNPFEDSA-N 0 0 402.494 4.617 50 0 HJAARN O=C(c1ccc2c(c1)nc1n(c2=O)CCCCC1)N(Cc1ccco1)c1ccccc1 ZINC000024841166 558617030 /nfs/dbraw/zinc/61/70/30/558617030.db2.gz QADMPDYDWVJIQK-UHFFFAOYSA-N 0 0 413.477 4.563 50 0 HJAARN CCCCN1C[C@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CC1=O ZINC000014095100 558619785 /nfs/dbraw/zinc/61/97/85/558619785.db2.gz LXGLHFMJJJVUIE-QGZVFWFLSA-N 0 0 411.933 4.885 50 0 HJAARN O=C(CCc1cnn(-c2ccccc2)c1)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000032808604 558620654 /nfs/dbraw/zinc/62/06/54/558620654.db2.gz YIUFWUZNIYCMNP-UHFFFAOYSA-N 0 0 414.436 4.781 50 0 HJAARN COc1ccc(C)cc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1 ZINC000014111769 558620965 /nfs/dbraw/zinc/62/09/65/558620965.db2.gz QGTONGZLJZTYOK-OAQYLSRUSA-N 0 0 422.912 4.637 50 0 HJAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)o1)c1cc2cc(Cl)ccc2o1 ZINC000014120411 558622378 /nfs/dbraw/zinc/62/23/78/558622378.db2.gz OLIVVQUTMYREFP-UHFFFAOYSA-N 0 0 414.826 4.840 50 0 HJAARN CCc1cc2oc(=O)cc(CSCc3cc(=O)n4ccsc4n3)c2cc1Cl ZINC000024971780 558623356 /nfs/dbraw/zinc/62/33/56/558623356.db2.gz AGVQVNPNCDGOBI-UHFFFAOYSA-N 0 0 418.927 4.512 50 0 HJAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000024986173 558625121 /nfs/dbraw/zinc/62/51/21/558625121.db2.gz LJPQRNDINNBGBH-GJZGRUSLSA-N 0 0 412.481 4.544 50 0 HJAARN Cc1cccc(NC(=O)CCc2nc3ccccc3n(CCc3ccccc3)c2=O)c1 ZINC000014141876 558625232 /nfs/dbraw/zinc/62/52/32/558625232.db2.gz ZEWNBWUVMBCKAR-UHFFFAOYSA-N 0 0 411.505 4.519 50 0 HJAARN CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)COc1cccc2ccccc21 ZINC000004512678 558627887 /nfs/dbraw/zinc/62/78/87/558627887.db2.gz LHMHFVNJLSTCJW-UHFFFAOYSA-N 0 0 401.466 4.706 50 0 HJAARN CCCCn1c(SCc2nc(CC(C)C)no2)nc2sc(C)c(C)c2c1=O ZINC000025057762 558629308 /nfs/dbraw/zinc/62/93/08/558629308.db2.gz VNLCUYBWHNZRSO-UHFFFAOYSA-N 0 0 406.577 4.749 50 0 HJAARN Cc1ccc(SCCNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000014184607 558629984 /nfs/dbraw/zinc/62/99/84/558629984.db2.gz HPJIEFIROLLOLK-UHFFFAOYSA-N 0 0 414.534 4.765 50 0 HJAARN Cc1ccc([C@@H](NCc2nc3ccc(Cl)cc3n2CCO)c2cccs2)cc1 ZINC000025139236 558632429 /nfs/dbraw/zinc/63/24/29/558632429.db2.gz OPDVMGASKZRNRL-JOCHJYFZSA-N 0 0 411.958 4.931 50 0 HJAARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000025144425 558632714 /nfs/dbraw/zinc/63/27/14/558632714.db2.gz UARVJLRWIFPMFV-GXTWGEPZSA-N 0 0 401.816 4.560 50 0 HJAARN CCOC(=O)c1cc(CC)sc1NC(=O)Cc1nc(-c2cccs2)oc1C ZINC000025167941 558633518 /nfs/dbraw/zinc/63/35/18/558633518.db2.gz QFWDWRJXNZDYKY-UHFFFAOYSA-N 0 0 404.513 4.693 50 0 HJAARN CS(=O)(=O)c1ccccc1NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000072235818 558635244 /nfs/dbraw/zinc/63/52/44/558635244.db2.gz ZCQLTPIANAHRPS-UHFFFAOYSA-N 0 0 417.534 4.614 50 0 HJAARN Cn1c(=S)n(CN2CCc3sccc3[C@H]2c2ccccc2)nc1-c1ccncc1 ZINC000014201255 558636770 /nfs/dbraw/zinc/63/67/70/558636770.db2.gz CWNVNMMEDFEETJ-HXUWFJFHSA-N 0 0 419.579 4.680 50 0 HJAARN CCc1ccc(-c2csc(NC(=O)c3cc(NC(C)=O)cc(NC(C)=O)c3)n2)cc1 ZINC000014233856 558640721 /nfs/dbraw/zinc/64/07/21/558640721.db2.gz MIUNUXMIIOSAAU-UHFFFAOYSA-N 0 0 422.510 4.542 50 0 HJAARN COc1cccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccc(C)cc2)c1 ZINC000004518115 558641464 /nfs/dbraw/zinc/64/14/64/558641464.db2.gz MWDPHCACBSUOGR-UHFFFAOYSA-N 0 0 405.502 4.560 50 0 HJAARN COc1ccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccccc2C)cc1 ZINC000004518187 558641703 /nfs/dbraw/zinc/64/17/03/558641703.db2.gz LHFXDSOFDVIIKG-UHFFFAOYSA-N 0 0 405.502 4.560 50 0 HJAARN C[C@@]1(C2CCCCC2)NC(=O)N(CN2CCc3sccc3[C@@H]2c2ccccc2)C1=O ZINC000014241321 558644084 /nfs/dbraw/zinc/64/40/84/558644084.db2.gz WZOZTIZXYCRVAW-URXFXBBRSA-N 0 0 423.582 4.544 50 0 HJAARN O=C(CCNC(=O)c1ccccc1Cl)O[C@@H](c1cc(F)cc(F)c1)C(F)(F)F ZINC000014241883 558644511 /nfs/dbraw/zinc/64/45/11/558644511.db2.gz POGTYOKRLOFHJA-INIZCTEOSA-N 0 0 421.749 4.585 50 0 HJAARN CN(Cc1cccc(F)c1)C(=O)CSc1nc2c(n1-c1ccccc1)CCCC2 ZINC000025760427 558649222 /nfs/dbraw/zinc/64/92/22/558649222.db2.gz JQKFLDNDOLVBND-UHFFFAOYSA-N 0 0 409.530 4.641 50 0 HJAARN CC(C)COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)OCc2ccccc2)cc1 ZINC000004526216 558653638 /nfs/dbraw/zinc/65/36/38/558653638.db2.gz BHXVLGBMFYEPKD-HAHDFKILSA-N 0 0 419.477 4.829 50 0 HJAARN CC(=O)N[C@H](C)c1ccc(C(=O)CSc2nccn2-c2cccc(C)c2C)cc1 ZINC000026047401 558654242 /nfs/dbraw/zinc/65/42/42/558654242.db2.gz GLNKFXYXIZJCBT-QGZVFWFLSA-N 0 0 407.539 4.661 50 0 HJAARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000026399347 558660438 /nfs/dbraw/zinc/66/04/38/558660438.db2.gz BPSPDMODABHKED-CYBMUJFWSA-N 0 0 411.716 4.677 50 0 HJAARN COc1ccc(-c2nnc([C@H](C)Sc3nnc(-c4cccnc4)n3C3CC3)o2)cc1 ZINC000026411304 558660569 /nfs/dbraw/zinc/66/05/69/558660569.db2.gz ZFUGCORVOTYHJN-ZDUSSCGKSA-N 0 0 420.498 4.587 50 0 HJAARN Cc1ccc(NC(=O)[C@H](C)Sc2nccc(C(F)(F)F)n2)c(Br)c1 ZINC000026482488 558661899 /nfs/dbraw/zinc/66/18/99/558661899.db2.gz ZSOWODVHNHKGTL-VIFPVBQESA-N 0 0 420.254 4.686 50 0 HJAARN Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1Nc2sc3c(c2C(=O)N1)CC[C@@H](C)C3 ZINC000004543289 558663512 /nfs/dbraw/zinc/66/35/12/558663512.db2.gz MCBSQBXFUYHANF-NSPYISDASA-N 0 0 412.946 4.875 50 0 HJAARN Cc1noc2nc(-c3cccs3)cc(C(=O)O[C@H](C)C(=O)c3ccc(C)cc3)c12 ZINC000014712768 558664712 /nfs/dbraw/zinc/66/47/12/558664712.db2.gz PUSUJCKQTACSCP-CQSZACIVSA-N 0 0 406.463 4.996 50 0 HJAARN O=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2cccc3cccnc32)cc1 ZINC000026927075 558667171 /nfs/dbraw/zinc/66/71/71/558667171.db2.gz WCOMOSNRVKLEKQ-UHFFFAOYSA-N 0 0 411.505 4.922 50 0 HJAARN Cc1ccc(-c2csc(=S)n2CC(=O)Nc2ccccc2C(=O)NC2CC2)cc1 ZINC000026990598 558668155 /nfs/dbraw/zinc/66/81/55/558668155.db2.gz RBJATIYTYSEYMQ-UHFFFAOYSA-N 0 0 423.563 4.785 50 0 HJAARN Cc1ccccc1Nc1nc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cs1 ZINC000027118005 558669844 /nfs/dbraw/zinc/66/98/44/558669844.db2.gz NWVLNSNWHBCFBV-YRNVUSSQSA-N 0 0 418.566 4.666 50 0 HJAARN COc1ccc(-c2nnc(SCC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)n2C(C)C)cc1 ZINC000004549315 558672903 /nfs/dbraw/zinc/67/29/03/558672903.db2.gz CGWADCOPMBSDNQ-FRQCXROJSA-N 0 0 416.591 4.568 50 0 HJAARN O=C(N[C@@H](C(=O)OCc1ccc(C(F)(F)F)cc1)c1ccccc1)c1ccco1 ZINC000027500568 558673764 /nfs/dbraw/zinc/67/37/64/558673764.db2.gz IIGJGPBIENXCSG-GOSISDBHSA-N 0 0 403.356 4.513 50 0 HJAARN CCSc1ncc(Br)c(C(=O)Nc2cccc(Cl)c2Cl)n1 ZINC000027743121 558680916 /nfs/dbraw/zinc/68/09/16/558680916.db2.gz GZFURQYTQLCAQZ-UHFFFAOYSA-N 0 0 407.120 4.910 50 0 HJAARN Cc1ccc2c(c1)sc(C(=O)N1CCCN(CCc3ccncc3)CC1)c2Cl ZINC000027748210 558681673 /nfs/dbraw/zinc/68/16/73/558681673.db2.gz WCXORNZBDISQFX-UHFFFAOYSA-N 0 0 413.974 4.649 50 0 HJAARN COCc1ccc(C(=O)NC[C@@H]2Cc3cc(C)cc(-c4ccc(Cl)cc4)c3O2)o1 ZINC000014957754 558682931 /nfs/dbraw/zinc/68/29/31/558682931.db2.gz YLKWRULDRFKXAN-IBGZPJMESA-N 0 0 411.885 4.788 50 0 HJAARN CCn1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000027818386 558683510 /nfs/dbraw/zinc/68/35/10/558683510.db2.gz JISQLRBMDBPRSN-UHFFFAOYSA-N 0 0 414.339 4.516 50 0 HJAARN O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CCN(C(=O)c2ccncc2)CC1 ZINC000014961063 558684045 /nfs/dbraw/zinc/68/40/45/558684045.db2.gz CCZVCCOJLLXWOJ-UHFFFAOYSA-N 0 0 419.456 4.504 50 0 HJAARN O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(C(=O)C2=CCCCC2)CC1 ZINC000014970434 558687223 /nfs/dbraw/zinc/68/72/23/558687223.db2.gz AMBMAAYYSFCZNU-UHFFFAOYSA-N 0 0 420.557 4.508 50 0 HJAARN COc1ccc2nc(NC(=O)c3cc(-c4ccc5c(c4)C[C@H](C)O5)on3)sc2c1 ZINC000027995406 558689130 /nfs/dbraw/zinc/68/91/30/558689130.db2.gz XUMDELFLNDPDDX-NSHDSACASA-N 0 0 407.451 4.536 50 0 HJAARN COc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3cccc(C)c3C)cs2)cc1 ZINC000027994950 558689215 /nfs/dbraw/zinc/68/92/15/558689215.db2.gz BWEOBOBFYMRADK-QGZVFWFLSA-N 0 0 410.539 4.562 50 0 HJAARN COc1ccc(NC(=O)c2sc(-c3ccsc3)nc2C)cc1N1CCCC1=O ZINC000028039901 558689959 /nfs/dbraw/zinc/68/99/59/558689959.db2.gz LQDGCYIQEFAUCU-UHFFFAOYSA-N 0 0 413.524 4.568 50 0 HJAARN COc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3ccccc3Cl)cs2)cc1 ZINC000028286809 558694264 /nfs/dbraw/zinc/69/42/64/558694264.db2.gz VXRCVUZBACBZDV-AWEZNQCLSA-N 0 0 416.930 4.598 50 0 HJAARN CCCCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc4c(c3)C[C@@H](C)O4)on2)cc1 ZINC000028286972 558694456 /nfs/dbraw/zinc/69/44/56/558694456.db2.gz MSWKAKHNKBXDHQ-OAHLLOKOSA-N 0 0 420.465 4.874 50 0 HJAARN CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)c2ccccc2F)C3)c1 ZINC000014993488 558695249 /nfs/dbraw/zinc/69/52/49/558695249.db2.gz IJFXKVWVKYVGPK-GOSISDBHSA-N 0 0 421.443 4.876 50 0 HJAARN COc1ccccc1O[C@H](C)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000028288558 558695579 /nfs/dbraw/zinc/69/55/79/558695579.db2.gz SLSNICGOSHEXRZ-CQSZACIVSA-N 0 0 416.930 4.598 50 0 HJAARN COc1ccccc1O[C@@H](C)C(=O)N(Cc1c(F)cccc1Cl)c1ccccn1 ZINC000028290828 558697158 /nfs/dbraw/zinc/69/71/58/558697158.db2.gz UVIFGHGDHHBRKW-HNNXBMFYSA-N 0 0 414.864 4.883 50 0 HJAARN Cc1ccc(Cn2nccc2NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)cc1 ZINC000028292553 558698054 /nfs/dbraw/zinc/69/80/54/558698054.db2.gz YBJVBDSMZRTHBU-UHFFFAOYSA-N 0 0 407.857 4.560 50 0 HJAARN Cc1ccc(COc2c(Cl)cc(/C=C3\NC(=S)N(C)C3=O)cc2Cl)cc1 ZINC000015010631 558700112 /nfs/dbraw/zinc/70/01/12/558700112.db2.gz FYNNPHXYJSCUCG-SXGWCWSVSA-N 0 0 407.322 4.568 50 0 HJAARN C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000015011341 558700605 /nfs/dbraw/zinc/70/06/05/558700605.db2.gz NSXLRVWPTAQWGP-CALCHBBNSA-N 0 0 424.545 4.955 50 0 HJAARN O=C(CSc1nncn1Cc1ccco1)N1c2ccccc2Sc2ccccc21 ZINC000028709733 558703909 /nfs/dbraw/zinc/70/39/09/558703909.db2.gz DIANKVBFNNYZEV-UHFFFAOYSA-N 0 0 420.519 4.841 50 0 HJAARN Cc1ccc(NC(=O)CSCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000029098604 558709911 /nfs/dbraw/zinc/70/99/11/558709911.db2.gz IKBMSIIHEMRDOR-UHFFFAOYSA-N 0 0 411.354 4.632 50 0 HJAARN O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000029264559 558712513 /nfs/dbraw/zinc/71/25/13/558712513.db2.gz CIKSJOCZARJRPY-UHFFFAOYSA-N 0 0 411.914 4.952 50 0 HJAARN O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000029353305 558714157 /nfs/dbraw/zinc/71/41/57/558714157.db2.gz YRVFYBUQCTWSLU-UHFFFAOYSA-N 0 0 415.478 4.617 50 0 HJAARN Cc1oc(-c2cccc3ccccc32)nc1CN(C)Cc1nc(-c2ccncc2)no1 ZINC000015080760 558718998 /nfs/dbraw/zinc/71/89/98/558718998.db2.gz UKBAMZNTAKSCLK-UHFFFAOYSA-N 0 0 411.465 4.880 50 0 HJAARN Cc1ccc(CN2c3ccccc3[C@@](O)(CC(=O)c3c(C)cc(C)cc3C)C2=O)cc1 ZINC000004555156 558720201 /nfs/dbraw/zinc/72/02/01/558720201.db2.gz PZPLPJWLMPSFDT-MHZLTWQESA-N 0 0 413.517 4.928 50 0 HJAARN Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1[C@H](c1ccc3c(c1)OCO3)CC(=O)N2 ZINC000015106732 558723102 /nfs/dbraw/zinc/72/31/02/558723102.db2.gz HFZQJEUZZRYAJL-HNNXBMFYSA-N 0 0 424.453 4.651 50 0 HJAARN COc1ccc(NC(=O)c2sc3c(c2C)[C@H](c2cccc(OC)c2)CC(=O)N3)cc1 ZINC000015107032 558723110 /nfs/dbraw/zinc/72/31/10/558723110.db2.gz HVONEKFKCGBZIL-SFHVURJKSA-N 0 0 422.506 4.800 50 0 HJAARN C[C@@H](NC(=O)[C@@H](C)OC(=O)c1cccnc1Sc1ccccc1)c1ccc(F)cc1 ZINC000015127408 558724138 /nfs/dbraw/zinc/72/41/38/558724138.db2.gz QLAJTAHBLUEALX-HZPDHXFCSA-N 0 0 424.497 4.795 50 0 HJAARN COC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)sc2c1CCCC2 ZINC000004558262 558724143 /nfs/dbraw/zinc/72/41/43/558724143.db2.gz MBHVYPOFHFRFGE-LBPRGKRZSA-N 0 0 407.919 4.781 50 0 HJAARN CC(C)[C@@H](NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)c1nnc2ccccn21 ZINC000072291358 558724715 /nfs/dbraw/zinc/72/47/15/558724715.db2.gz DWIXZDSVXIHEKB-IFXJQAMLSA-N 0 0 404.436 4.755 50 0 HJAARN O=C(NCc1ccc(N2CCCC2)nc1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000030296794 558728441 /nfs/dbraw/zinc/72/84/41/558728441.db2.gz KUJOQGJZEGJLME-HSZRJFAPSA-N 0 0 403.551 4.832 50 0 HJAARN Cc1cc(C(=O)N[C@@H](C)c2cccc(Br)c2)c(C)n1Cc1ccco1 ZINC000030466484 558730569 /nfs/dbraw/zinc/73/05/69/558730569.db2.gz ZDCPKPHTPFBHJP-AWEZNQCLSA-N 0 0 401.304 5.000 50 0 HJAARN c1csc(-c2nc(CSc3nnc(N4CCCCC4)n3-c3ccccc3)no2)c1 ZINC000030514721 558731253 /nfs/dbraw/zinc/73/12/53/558731253.db2.gz UTOMVMOQFYVRBV-UHFFFAOYSA-N 0 0 424.555 4.661 50 0 HJAARN C[C@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000015314348 558731974 /nfs/dbraw/zinc/73/19/74/558731974.db2.gz KYVBRSQEHARVGI-WPEVAZMXSA-N 0 0 420.597 4.660 50 0 HJAARN COc1cc(NC(=O)c2cnc(SC)n2-c2ccc(F)cc2)c(OC)cc1Cl ZINC000015317320 558732203 /nfs/dbraw/zinc/73/22/03/558732203.db2.gz YIGUMVIBEFHKTJ-UHFFFAOYSA-N 0 0 421.881 4.656 50 0 HJAARN COc1ccc(C)cc1[C@H](C)NC(=O)CCC(=O)CCC(=O)c1ccc(C)s1 ZINC000030673286 558735638 /nfs/dbraw/zinc/73/56/38/558735638.db2.gz GYEPAYGLLLDYHS-INIZCTEOSA-N 0 0 401.528 4.563 50 0 HJAARN CC(C)c1ccc([C@@H](NC(=O)CN2C(=O)COc3ccccc32)c2cccs2)cc1 ZINC000015616563 558746558 /nfs/dbraw/zinc/74/65/58/558746558.db2.gz VIFPKEICNFCLFD-XMMPIXPASA-N 0 0 420.534 4.503 50 0 HJAARN C[C@@H]1Sc2ccc(C(=O)N3CC=C(c4c[nH]c5ccccc54)CC3)cc2NC1=O ZINC000011073021 558747483 /nfs/dbraw/zinc/74/74/83/558747483.db2.gz GORWYCJBXRKDER-AWEZNQCLSA-N 0 0 403.507 4.530 50 0 HJAARN COc1ccc([C@@H](c2c[nH]c3ccccc32)N(C)C(=O)COc2ccccc2)cc1 ZINC000015835477 558755799 /nfs/dbraw/zinc/75/57/99/558755799.db2.gz CANIJABCNRJCFR-VWLOTQADSA-N 0 0 400.478 4.803 50 0 HJAARN CCS[C@@H]1CC[C@@H](NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)C1 ZINC000072303481 558756005 /nfs/dbraw/zinc/75/60/05/558756005.db2.gz QGFNZSOHVYRCAT-RTBURBONSA-N 0 0 415.555 4.687 50 0 HJAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(CC)cc1)N(C(C)=O)c1ccc(F)cc1-2 ZINC000032997860 558758978 /nfs/dbraw/zinc/75/89/78/558758978.db2.gz UMWPGRHEKDOVFB-NRFANRHFSA-N 0 0 424.501 4.796 50 0 HJAARN Cc1nc(-c2ccccc2Cl)nc(NCCn2c(=S)[nH]nc2C2CC2)c1C ZINC000072307737 558766940 /nfs/dbraw/zinc/76/69/40/558766940.db2.gz LZGPDGCVUJCZKO-UHFFFAOYSA-N 0 0 400.939 4.657 50 0 HJAARN COc1ccc(CC(=O)O[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cc1 ZINC000072307901 558768084 /nfs/dbraw/zinc/76/80/84/558768084.db2.gz HZDJQRUZRAFAQN-NRFANRHFSA-N 0 0 418.415 4.887 50 0 HJAARN COc1ccc(CC(=O)O[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)cc1 ZINC000072307902 558768153 /nfs/dbraw/zinc/76/81/53/558768153.db2.gz HZDJQRUZRAFAQN-OAQYLSRUSA-N 0 0 418.415 4.887 50 0 HJAARN O=C(NCc1ccc(F)cc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2 ZINC000000865744 558774627 /nfs/dbraw/zinc/77/46/27/558774627.db2.gz KDVRMXOVKQZPNR-CJNGLKHVSA-N 0 0 424.423 4.674 50 0 HJAARN O=C1C[C@H](N(Cc2ccccc2)Cc2ccccc2)C(=O)N1c1cccc(Cl)c1 ZINC000019534877 558777058 /nfs/dbraw/zinc/77/70/58/558777058.db2.gz NJWYFJGZNOVTAE-QFIPXVFZSA-N 0 0 404.897 4.674 50 0 HJAARN CC(=O)NCc1ccc(-c2csc(NC(=O)C/C=C/c3ccc(F)cc3)n2)s1 ZINC000072310347 558777086 /nfs/dbraw/zinc/77/70/86/558777086.db2.gz KDGMHBRHPNCAMM-NSCUHMNNSA-N 0 0 415.515 4.689 50 0 HJAARN COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(N2CCCC2)cc1 ZINC000016194616 558777825 /nfs/dbraw/zinc/77/78/25/558777825.db2.gz UYYMYQYSLSHVCJ-UHFFFAOYSA-N 0 0 424.353 4.729 50 0 HJAARN COc1cc(NC(=O)c2ccccc2F)cc(S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000022590352 558779509 /nfs/dbraw/zinc/77/95/09/558779509.db2.gz LQCWLPNFIYUBQL-UHFFFAOYSA-N 0 0 419.861 4.573 50 0 HJAARN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccc(Br)c1 ZINC000016227065 558779781 /nfs/dbraw/zinc/77/97/81/558779781.db2.gz XBBOFWPINARSRB-UHFFFAOYSA-N 0 0 415.243 4.555 50 0 HJAARN O=S(=O)(c1ccc(Br)c2ccccc21)N1CCCc2ccccc21 ZINC000005047952 558781369 /nfs/dbraw/zinc/78/13/69/558781369.db2.gz RIYHLUZNQAXAHV-UHFFFAOYSA-N 0 0 402.313 4.744 50 0 HJAARN COc1ccc(-c2ccc(CCC(=O)Nc3ccccc3N3CCCC3=O)o2)cc1 ZINC000016261648 558781826 /nfs/dbraw/zinc/78/18/26/558781826.db2.gz MZTIXMGJCVCMCJ-UHFFFAOYSA-N 0 0 404.466 4.653 50 0 HJAARN CC(C)CCNC(=O)c1cccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)c1 ZINC000035181148 558788971 /nfs/dbraw/zinc/78/89/71/558788971.db2.gz CCLFRLRYDSCYAN-UHFFFAOYSA-N 0 0 413.949 4.948 50 0 HJAARN CCC(=O)N(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(C)(C)C ZINC000004590318 558792679 /nfs/dbraw/zinc/79/26/79/558792679.db2.gz BDLPNQQCYUCWRI-UHFFFAOYSA-N 0 0 404.551 4.762 50 0 HJAARN COc1ccccc1/C=C(\NC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000016511543 558794912 /nfs/dbraw/zinc/79/49/12/558794912.db2.gz JLBHLDUUJRKHEC-HKWRFOASSA-N 0 0 406.869 4.758 50 0 HJAARN COc1ccc(-c2cc(CN(C(=O)c3ccc(Cl)cc3)C3CC3)no2)c(OC)c1 ZINC000036001848 558796516 /nfs/dbraw/zinc/79/65/16/558796516.db2.gz FTFNECDPEFPPGI-UHFFFAOYSA-N 0 0 412.873 4.817 50 0 HJAARN CC(C)c1ccc(NC(=O)N2CCS[C@]23c2ccccc2N(C(C)C)C3=O)cc1 ZINC000036163317 558798122 /nfs/dbraw/zinc/79/81/22/558798122.db2.gz DUCPMHQRYHSUEO-QHCPKHFHSA-N 0 0 409.555 4.999 50 0 HJAARN COc1cccc(N(Cc2ccc(F)cc2F)S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000036248197 558798583 /nfs/dbraw/zinc/79/85/83/558798583.db2.gz QSFILOJYVSDAGU-UHFFFAOYSA-N 0 0 421.440 4.816 50 0 HJAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)N1CCC(Cc2ccccc2)CC1 ZINC000016695706 558801134 /nfs/dbraw/zinc/80/11/34/558801134.db2.gz QRFPPVXVFVJYMV-UHFFFAOYSA-N 0 0 401.432 4.536 50 0 HJAARN Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(Cl)c2)nc1 ZINC000016741302 558803395 /nfs/dbraw/zinc/80/33/95/558803395.db2.gz OJVWKFHMCAAYBJ-HXUWFJFHSA-N 0 0 402.837 4.900 50 0 HJAARN CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1ccc(-c2ccccc2)o1 ZINC000032981991 558804061 /nfs/dbraw/zinc/80/40/61/558804061.db2.gz ZQXVTNVGBJNHLE-UHFFFAOYSA-N 0 0 415.493 4.553 50 0 HJAARN Cc1ccc(C(=O)N2CCN(c3cc(Oc4ccc(Cl)c(C)c4)ncn3)CC2)cc1 ZINC000037356057 558804317 /nfs/dbraw/zinc/80/43/17/558804317.db2.gz JFQUBODVPHRTNE-UHFFFAOYSA-N 0 0 422.916 4.502 50 0 HJAARN CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC(C)C)c1 ZINC000016750328 558804581 /nfs/dbraw/zinc/80/45/81/558804581.db2.gz BMUVZHYNQIJNHC-QFIPXVFZSA-N 0 0 421.493 4.552 50 0 HJAARN CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OCC)c(OC)c1 ZINC000016751701 558804865 /nfs/dbraw/zinc/80/48/65/558804865.db2.gz SUHGXWDGLUSJLR-NRFANRHFSA-N 0 0 407.466 4.546 50 0 HJAARN O=C(NCCc1ccc(Cl)cc1)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1)O2 ZINC000032984037 558805092 /nfs/dbraw/zinc/80/50/92/558805092.db2.gz LXHGVYOYBHXJRK-HYARGMPZSA-N 0 0 418.880 4.685 50 0 HJAARN O=C(COc1cc(-c2ccccc2)nc2ccccc21)Nc1ccc2c(c1)OCCO2 ZINC000032985662 558805977 /nfs/dbraw/zinc/80/59/77/558805977.db2.gz ODJLHVCZJNXHTC-UHFFFAOYSA-N 0 0 412.445 4.691 50 0 HJAARN COc1cc(NC(=O)COc2cc(-c3ccccc3)nc3ccccc32)cc(OC)c1 ZINC000032985675 558805981 /nfs/dbraw/zinc/80/59/81/558805981.db2.gz PTZDMNZHUJNFLD-UHFFFAOYSA-N 0 0 414.461 4.937 50 0 HJAARN O=C(COc1cc(-c2ccccc2)nc2ccc(F)cc21)NCc1ccc(F)cc1 ZINC000032985791 558806108 /nfs/dbraw/zinc/80/61/08/558806108.db2.gz IUEDQEUJRUMUMX-UHFFFAOYSA-N 0 0 404.416 4.875 50 0 HJAARN CCOc1cc(Cl)c(S(=O)(=O)n2cc(C)nc2-c2ccccc2)cc1Cl ZINC000016780532 558806909 /nfs/dbraw/zinc/80/69/09/558806909.db2.gz GLAAIYRYNIIHNP-UHFFFAOYSA-N 0 0 411.310 4.801 50 0 HJAARN CCCc1c(C)nc2ncnn2c1Sc1ccccc1NC(=O)c1cccc(F)c1 ZINC000032995855 558810360 /nfs/dbraw/zinc/81/03/60/558810360.db2.gz HHGXNYOQUCDAQD-UHFFFAOYSA-N 0 0 421.501 4.928 50 0 HJAARN Cc1cc(C)c(NC(=O)Cn2cnc3c(-c4ccc(F)cc4)csc3c2=O)c(C)c1 ZINC000038486542 558811445 /nfs/dbraw/zinc/81/14/45/558811445.db2.gz NCRSPCBXCIUJLW-UHFFFAOYSA-N 0 0 421.497 4.828 50 0 HJAARN Cc1ccc(NC(=O)Nc2nnc(Cc3cccc(Br)c3)s2)cc1 ZINC000017045598 558812998 /nfs/dbraw/zinc/81/29/98/558812998.db2.gz YZGQNZZZXAGMAF-UHFFFAOYSA-N 0 0 403.305 4.844 50 0 HJAARN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCc2ccccc2F)c1 ZINC000017064196 558813494 /nfs/dbraw/zinc/81/34/94/558813494.db2.gz WPFKFMMCQMSOQE-UHFFFAOYSA-N 0 0 415.468 4.676 50 0 HJAARN O=C(NC1CCCCC1)c1ccc(-n2nc(Sc3ccc(F)cc3)ccc2=O)cc1 ZINC000032998838 558819754 /nfs/dbraw/zinc/81/97/54/558819754.db2.gz AANXSMWCQDPYHP-UHFFFAOYSA-N 0 0 423.513 4.585 50 0 HJAARN CCCCNC(=O)c1ccc(-n2nc(Sc3ccc(Cl)cc3)ccc2=O)cc1 ZINC000032998947 558819774 /nfs/dbraw/zinc/81/97/74/558819774.db2.gz GXCYSMVOZGIFFK-UHFFFAOYSA-N 0 0 413.930 4.567 50 0 HJAARN Cc1oc(-c2cccc3ccccc32)nc1CN1CCNC(=O)[C@@H]1c1cccc(F)c1 ZINC000039516277 558821917 /nfs/dbraw/zinc/82/19/17/558821917.db2.gz WNRNZUGRWNVTGK-QHCPKHFHSA-N 0 0 415.468 4.615 50 0 HJAARN CCn1c(SCc2csc(-c3ccc4c(c3)OCO4)n2)nnc1-c1cccnc1 ZINC000017093630 558822080 /nfs/dbraw/zinc/82/20/80/558822080.db2.gz NNHISIXVDGERGP-UHFFFAOYSA-N 0 0 423.523 4.505 50 0 HJAARN CCC(=O)Nc1nc2c(cc(NC(=O)Nc3ccccc3Cl)cc2OC)s1 ZINC000033008413 558828056 /nfs/dbraw/zinc/82/80/56/558828056.db2.gz VUCXYWDGUFLQAJ-UHFFFAOYSA-N 0 0 404.879 4.951 50 0 HJAARN CC(C)(C)c1ccc(OC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1 ZINC000017987450 558829240 /nfs/dbraw/zinc/82/92/40/558829240.db2.gz UZIIVAVUVWZCIQ-NHCUHLMSSA-N 0 0 403.478 4.659 50 0 HJAARN CCOC(=O)c1ccc(NC(=O)Cc2csc(COc3ccc(C)c(C)c3)n2)cc1 ZINC000033011834 558831452 /nfs/dbraw/zinc/83/14/52/558831452.db2.gz FTMYRDINIMDNSY-UHFFFAOYSA-N 0 0 424.522 4.697 50 0 HJAARN CCOC(=O)c1c(NC(=S)N2C[C@@H](C)O[C@@H](C)C2)sc(C)c1-c1ccccc1 ZINC000018128286 558831756 /nfs/dbraw/zinc/83/17/56/558831756.db2.gz DVHUOGLTOBBELA-OKILXGFUSA-N 0 0 418.584 4.706 50 0 HJAARN CCOc1ccccc1NC(=O)COc1cccc(-c2nc(-c3ccccc3)no2)c1 ZINC000033012325 558832137 /nfs/dbraw/zinc/83/21/37/558832137.db2.gz VLTAEPSIRIHCLB-UHFFFAOYSA-N 0 0 415.449 4.820 50 0 HJAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)COc3ccccc3F)n2)cc1 ZINC000033012679 558832414 /nfs/dbraw/zinc/83/24/14/558832414.db2.gz ZYPCOXRFRZSNCE-UHFFFAOYSA-N 0 0 419.412 4.569 50 0 HJAARN COc1ccc(-c2noc(COc3ccccc3C(=O)Nc3ccccc3F)n2)cc1 ZINC000033012960 558832773 /nfs/dbraw/zinc/83/27/73/558832773.db2.gz PNIGFLFMUMQVFT-UHFFFAOYSA-N 0 0 419.412 4.716 50 0 HJAARN COc1cccc(NC(=O)c2ccccc2OCc2nc(-c3ccc(C)cc3)no2)c1 ZINC000033012887 558832859 /nfs/dbraw/zinc/83/28/59/558832859.db2.gz SSBGBKQNIRAKDN-UHFFFAOYSA-N 0 0 415.449 4.885 50 0 HJAARN O=C(Nc1cc(Cl)cc(Cl)c1)N1CCN(c2ncccc2C(F)(F)F)CC1 ZINC000018183198 558832896 /nfs/dbraw/zinc/83/28/96/558832896.db2.gz BNFVYDIYPKZERB-UHFFFAOYSA-N 0 0 419.234 4.761 50 0 HJAARN COc1ccc(Nc2ccc(NC(=O)C[C@H](NC(C)=O)c3ccccc3)cc2)cc1 ZINC000010633316 558833060 /nfs/dbraw/zinc/83/30/60/558833060.db2.gz JYUBQAVUDIBQEU-QHCPKHFHSA-N 0 0 403.482 4.645 50 0 HJAARN C[C@@H](CNC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1nc2ccccc2n1C(F)F ZINC000010639886 558833382 /nfs/dbraw/zinc/83/33/82/558833382.db2.gz DLYAPCNVDZEEEG-STQMWFEESA-N 0 0 407.848 4.772 50 0 HJAARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)NC[C@H](C)c1nc2ccccc2n1C(F)F ZINC000010639880 558833389 /nfs/dbraw/zinc/83/33/89/558833389.db2.gz DLYAPCNVDZEEEG-QWHCGFSZSA-N 0 0 407.848 4.772 50 0 HJAARN CCCCSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C(C(=O)OCC)C(C)=N2 ZINC000004598069 558833949 /nfs/dbraw/zinc/83/39/49/558833949.db2.gz LEYXVTFMLYTEHS-INIZCTEOSA-N 0 0 406.939 4.676 50 0 HJAARN Clc1ccc(C2=Nn3c(nnc3-c3ccc(Br)cc3)SC2)cc1 ZINC000004598301 558834079 /nfs/dbraw/zinc/83/40/79/558834079.db2.gz ZNHGOQUUQFUXFI-UHFFFAOYSA-N 0 0 405.708 4.719 50 0 HJAARN Cc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2ccccc2F)cc1 ZINC000004598196 558834083 /nfs/dbraw/zinc/83/40/83/558834083.db2.gz CKELNNGIKXQUBN-COOPMVRXSA-N 0 0 417.440 4.561 50 0 HJAARN FC(F)(F)c1cc(Oc2ccc3cc(Br)ccc3c2)n2ncnc2n1 ZINC000071948155 558835045 /nfs/dbraw/zinc/83/50/45/558835045.db2.gz HGWHVWJRIOMRCH-UHFFFAOYSA-N 0 0 409.165 4.851 50 0 HJAARN CCn1c2ccccc2c2cc(NC(=O)CCC(=O)NCc3cccs3)ccc21 ZINC000004599982 558835506 /nfs/dbraw/zinc/83/55/06/558835506.db2.gz ZXYWHTYBMGXCOG-UHFFFAOYSA-N 0 0 405.523 4.911 50 0 HJAARN COc1ccc(C(=O)Nc2cccc(CCc3nc4ccccc4[nH]3)c2)cc1OC ZINC000033019595 558836143 /nfs/dbraw/zinc/83/61/43/558836143.db2.gz DKNWODKDEGSXJL-UHFFFAOYSA-N 0 0 401.466 4.618 50 0 HJAARN Cc1cccc(CCNC(=O)c2cnn(-c3cccc(Cl)c3)c2C(F)(F)F)c1 ZINC000060323468 558836646 /nfs/dbraw/zinc/83/66/46/558836646.db2.gz GNSIYZHXKNHZLF-UHFFFAOYSA-N 0 0 407.823 4.825 50 0 HJAARN CCOc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NC1CCCCC1 ZINC000046005914 558838762 /nfs/dbraw/zinc/83/87/62/558838762.db2.gz JVGRPCFXPJDBHP-UHFFFAOYSA-N 0 0 420.557 4.818 50 0 HJAARN COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)Nc1ccccc1 ZINC000046006499 558838894 /nfs/dbraw/zinc/83/88/94/558838894.db2.gz NEZYBDVSUYZOLV-UHFFFAOYSA-N 0 0 414.509 4.926 50 0 HJAARN Cc1ccc(-c2nc3nc(C)c(CC(=O)Nc4cccc(Cl)c4C)c(C)n3n2)cc1 ZINC000046023811 558839189 /nfs/dbraw/zinc/83/91/89/558839189.db2.gz JOVRLKRZJXVJGN-UHFFFAOYSA-N 0 0 419.916 4.860 50 0 HJAARN CCc1ccccc1NC(=O)Cc1c(C)nc2nc(-c3ccc(Cl)cc3)nn2c1C ZINC000046023793 558839231 /nfs/dbraw/zinc/83/92/31/558839231.db2.gz NMKVCCAGTPXAGV-UHFFFAOYSA-N 0 0 419.916 4.805 50 0 HJAARN Cc1ccc(NC(=O)Cc2c(C)nc3nc(-c4ccc(Cl)cc4)nn3c2C)cc1 ZINC000046023795 558839243 /nfs/dbraw/zinc/83/92/43/558839243.db2.gz VOCJCHLVNSNJCN-UHFFFAOYSA-N 0 0 405.889 4.551 50 0 HJAARN CCCN(CCC)S(=O)(=O)c1cc(-c2nc(-c3ccc(F)cc3)no2)sc1C ZINC000046141372 558840018 /nfs/dbraw/zinc/84/00/18/558840018.db2.gz BETVDOOKFGEYBQ-UHFFFAOYSA-N 0 0 423.535 4.723 50 0 HJAARN CN(CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(Cl)cc1Cl ZINC000004607389 558847668 /nfs/dbraw/zinc/84/76/68/558847668.db2.gz DFMDVBSSKBVNNF-IBGZPJMESA-N 0 0 413.345 4.839 50 0 HJAARN CCCOc1ccc(/C=C/C(=O)N(CCC)[C@H](C)C(=O)Nc2ccccc2)cc1OC ZINC000060331261 558847833 /nfs/dbraw/zinc/84/78/33/558847833.db2.gz CPKCNGZYDDZKEU-OCKXMSAZSA-N 0 0 424.541 4.763 50 0 HJAARN CCCOc1ccc(/C=C/C(=O)N(CCC)[C@@H](C)C(=O)Nc2ccccc2)cc1OC ZINC000060331260 558847920 /nfs/dbraw/zinc/84/79/20/558847920.db2.gz CPKCNGZYDDZKEU-LLLGYDHXSA-N 0 0 424.541 4.763 50 0 HJAARN CC(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccc(F)cc2)OC3=O)cc1 ZINC000033026901 558847985 /nfs/dbraw/zinc/84/79/85/558847985.db2.gz JFTZAMVASSLGJJ-JOCHJYFZSA-N 0 0 403.409 4.735 50 0 HJAARN CCc1cccc(C)c1NC(=O)CCCn1c(=O)c2cccn2c2ccc(F)cc21 ZINC000033031676 558855610 /nfs/dbraw/zinc/85/56/10/558855610.db2.gz FBHWWHUNJVUADQ-UHFFFAOYSA-N 0 0 405.473 4.683 50 0 HJAARN C[C@H](OC(=O)c1[nH]c2ccccc2c1Cl)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000046350950 558859031 /nfs/dbraw/zinc/85/90/31/558859031.db2.gz YHPTVFCYGXTORX-SWLSCSKDSA-N 0 0 402.903 4.792 50 0 HJAARN C[C@@H](OC(=O)c1[nH]c2ccccc2c1Cl)C(=O)N1CCC[C@H]1c1cccs1 ZINC000046350953 558859215 /nfs/dbraw/zinc/85/92/15/558859215.db2.gz YHPTVFCYGXTORX-DOMZBBRYSA-N 0 0 402.903 4.792 50 0 HJAARN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(C)=C(C(=O)OC)C1c1ccc(F)cc1 ZINC000004619992 558865978 /nfs/dbraw/zinc/86/59/78/558865978.db2.gz BDGMYNSAAKSJBT-UHFFFAOYSA-N 0 0 423.484 4.940 50 0 HJAARN O=C(CCCc1nc2cccnc2n1Cc1ccc(F)cc1)NCCC1=CCCCC1 ZINC000033072868 558867166 /nfs/dbraw/zinc/86/71/66/558867166.db2.gz FLEUSYRPDBMHJS-UHFFFAOYSA-N 0 0 420.532 4.948 50 0 HJAARN COc1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)c(OC)c1OC ZINC000019325858 558867690 /nfs/dbraw/zinc/86/76/90/558867690.db2.gz DBXRGQWQAGWUMM-UHFFFAOYSA-N 0 0 418.537 4.729 50 0 HJAARN CSc1ccc(CNC(=O)c2sc3nc(C)nc(N4CCCC4)c3c2C)cc1 ZINC000033078976 558868350 /nfs/dbraw/zinc/86/83/50/558868350.db2.gz WCQUJVINZZJAPL-UHFFFAOYSA-N 0 0 412.584 4.560 50 0 HJAARN CC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1)c1cccs1 ZINC000011150270 558868374 /nfs/dbraw/zinc/86/83/74/558868374.db2.gz ILUMZAJRBDHADF-HNNXBMFYSA-N 0 0 403.504 4.525 50 0 HJAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000033085294 558869319 /nfs/dbraw/zinc/86/93/19/558869319.db2.gz DZHKKABRXZRXDN-UHFFFAOYSA-N 0 0 424.932 4.962 50 0 HJAARN CCOC(=O)C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(OCC)cc1 ZINC000004653343 558869654 /nfs/dbraw/zinc/86/96/54/558869654.db2.gz NXNDEDCFVGBNIE-SFHVURJKSA-N 0 0 410.297 4.816 50 0 HJAARN CCN(CC)c1nc2ccccc2nc1C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000033085988 558870488 /nfs/dbraw/zinc/87/04/88/558870488.db2.gz SHRSGDANQXSYHY-UHFFFAOYSA-N 0 0 424.504 4.959 50 0 HJAARN CCc1cccc(C)c1NC(=O)c1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000033088501 558870959 /nfs/dbraw/zinc/87/09/59/558870959.db2.gz PYZQRVOBTRFOJK-UHFFFAOYSA-N 0 0 415.375 4.526 50 0 HJAARN Cc1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@H]3C)cc1C ZINC000033089192 558871991 /nfs/dbraw/zinc/87/19/91/558871991.db2.gz NRMIOTHVDNEFON-CYBMUJFWSA-N 0 0 411.299 4.750 50 0 HJAARN CCc1ccccc1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@@H]2C ZINC000033089196 558871995 /nfs/dbraw/zinc/87/19/95/558871995.db2.gz MAZHMCJBJRMZQC-LBPRGKRZSA-N 0 0 411.299 4.696 50 0 HJAARN CCOc1cc2[n-]c(=S)n(CCC[N@@H+]3CCCC[C@@H]3CC)c(=O)c2cc1OCC ZINC000004657954 558872215 /nfs/dbraw/zinc/87/22/15/558872215.db2.gz AWACEEJCBSRXQO-INIZCTEOSA-N 0 0 419.591 4.511 50 0 HJAARN FC(F)(F)c1ccc(NC(=S)N2CCn3cccc3[C@@H]2c2cccnc2)cc1 ZINC000004659438 558872822 /nfs/dbraw/zinc/87/28/22/558872822.db2.gz XMWCGERCARBTFD-SFHVURJKSA-N 0 0 402.445 4.704 50 0 HJAARN COc1ccc(F)c(CN2CCOc3ccc([C@H](O)Cc4ccccc4)cc3C2)c1 ZINC000055107883 558872881 /nfs/dbraw/zinc/87/28/81/558872881.db2.gz AAQQEJNOBFFCKJ-XMMPIXPASA-N 0 0 407.485 4.505 50 0 HJAARN Cc1ccnc(NC(=O)c2cccc(NC(=O)COc3ccc4ccccc4c3)c2)c1 ZINC000004661202 558873728 /nfs/dbraw/zinc/87/37/28/558873728.db2.gz VKDXDJXEXMFTOW-UHFFFAOYSA-N 0 0 411.461 4.813 50 0 HJAARN O=C(Cc1csc(-c2ccsc2)n1)OCc1cc(Cl)c2c(c1)OCCO2 ZINC000019358404 558875852 /nfs/dbraw/zinc/87/58/52/558875852.db2.gz AOADXMVHFWKPFZ-UHFFFAOYSA-N 0 0 407.900 4.582 50 0 HJAARN COc1ccc(Cn2c(=O)c3c([nH]c2=S)-c2ccccc2CC32CCCC2)cc1 ZINC000004663842 558876028 /nfs/dbraw/zinc/87/60/28/558876028.db2.gz RNVFFFOLSZJBRZ-UHFFFAOYSA-N 0 0 404.535 4.998 50 0 HJAARN O=C(Oc1ccccc1)c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1 ZINC000004666282 558877477 /nfs/dbraw/zinc/87/74/77/558877477.db2.gz ZXAXJGMXBMQWNQ-UHFFFAOYSA-N 0 0 404.443 4.827 50 0 HJAARN O=S(=O)(Nc1ccc(-c2noc(-c3cccs3)n2)cc1)c1ccc(Cl)cc1 ZINC000033122941 558879640 /nfs/dbraw/zinc/87/96/40/558879640.db2.gz XMFNUJHNGGYEOY-UHFFFAOYSA-N 0 0 417.899 4.919 50 0 HJAARN COC(=O)c1sc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2c1OC ZINC000033123555 558879908 /nfs/dbraw/zinc/87/99/08/558879908.db2.gz CAIZJIXXXYGLQG-UHFFFAOYSA-N 0 0 409.385 4.968 50 0 HJAARN Cc1nc2cc(CC(=O)Nc3ccc(C)c(NC(=O)c4ccc(C)cc4)c3)ccc2[nH]1 ZINC000055413149 558881129 /nfs/dbraw/zinc/88/11/29/558881129.db2.gz CFGGJKKOGZWRGF-UHFFFAOYSA-N 0 0 412.493 4.922 50 0 HJAARN O=C(Nc1cccc(Cl)c1)N[C@H](Cc1ccccc1)C(=O)N1CCc2ccccc21 ZINC000033127932 558881217 /nfs/dbraw/zinc/88/12/17/558881217.db2.gz CVHGJOJCBSKDAH-OAQYLSRUSA-N 0 0 419.912 4.662 50 0 HJAARN Cc1ccc(-n2nc(S[C@H](C)C(=O)Nc3ccc(Cl)cc3)ccc2=O)cc1C ZINC000033128062 558881577 /nfs/dbraw/zinc/88/15/77/558881577.db2.gz CLQJYYLPXQHQAR-OAHLLOKOSA-N 0 0 413.930 4.622 50 0 HJAARN O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1cccs1 ZINC000055526920 558881787 /nfs/dbraw/zinc/88/17/87/558881787.db2.gz DMSYPXBHZWZTED-UHFFFAOYSA-N 0 0 411.958 4.976 50 0 HJAARN COc1ccc2cc(C(=O)[C@@H]3CCCN(Cc4c(C)nc5sccn45)C3)ccc2c1 ZINC000055575920 558883233 /nfs/dbraw/zinc/88/32/33/558883233.db2.gz ZNKZMFHDUSCMPF-HXUWFJFHSA-N 0 0 419.550 4.961 50 0 HJAARN C[C@@H]1CCCC[C@H]1NC(=O)CNC(=S)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000004672528 558884582 /nfs/dbraw/zinc/88/45/82/558884582.db2.gz KDEDZFKMPLGYIV-DYESRHJHSA-N 0 0 419.610 4.530 50 0 HJAARN Cc1cc2cc(NC(=O)CSc3nnc(C)n3-c3cc(C)ccc3C)ccc2[nH]1 ZINC000046367099 558884818 /nfs/dbraw/zinc/88/48/18/558884818.db2.gz CNBPQKQDMMVYMD-UHFFFAOYSA-N 0 0 405.527 4.713 50 0 HJAARN CCCCOc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2C2CCCC2)cc1 ZINC000004673073 558884920 /nfs/dbraw/zinc/88/49/20/558884920.db2.gz IQXLNFPNHHOGNF-XMMPIXPASA-N 0 0 412.574 4.853 50 0 HJAARN CC(=O)Nc1nc2cc(NC(=O)Nc3ccc(Br)cc3)ccc2s1 ZINC000033129446 558885321 /nfs/dbraw/zinc/88/53/21/558885321.db2.gz QFYZGPJMVAQTGG-UHFFFAOYSA-N 0 0 405.277 4.661 50 0 HJAARN O=C(NCCc1ccccc1)Nc1ccc2sc(NC(=O)c3ccccc3)nc2c1 ZINC000033129516 558885332 /nfs/dbraw/zinc/88/53/32/558885332.db2.gz AZIORTQFULQFGA-UHFFFAOYSA-N 0 0 416.506 4.913 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)nc(-c2ccccc2)c2ccccc21 ZINC000033048867 558886220 /nfs/dbraw/zinc/88/62/20/558886220.db2.gz ILCJLINQLGLLEW-UHFFFAOYSA-N 0 0 403.869 4.664 50 0 HJAARN Cc1cc2n(n1)[C@H](c1ccccc1)C(C(=O)Nc1ccc(Br)cc1)=C(C)N2 ZINC000072332701 558893013 /nfs/dbraw/zinc/89/30/13/558893013.db2.gz DTGHBSQGMFEQJE-HXUWFJFHSA-N 0 0 423.314 4.882 50 0 HJAARN CCc1cccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000033141795 558893513 /nfs/dbraw/zinc/89/35/13/558893513.db2.gz PAMHXQRSEMXCEQ-UHFFFAOYSA-N 0 0 414.552 4.696 50 0 HJAARN O=C(Nc1ccc(F)c(F)c1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000004682308 558894244 /nfs/dbraw/zinc/89/42/44/558894244.db2.gz REUHTMAQCGQALP-OAQYLSRUSA-N 0 0 414.433 4.584 50 0 HJAARN COc1ccc([C@H]2CCCCCN2C(=O)Nc2cccc(N3CCOC3=O)c2)cc1 ZINC000058104977 558899069 /nfs/dbraw/zinc/89/90/69/558899069.db2.gz DVWRYMGITMGHQQ-OAQYLSRUSA-N 0 0 409.486 4.801 50 0 HJAARN O=C(CSc1ncnc2c3ccccc3[nH]c21)Nc1ccc(C(F)(F)F)cc1 ZINC000033172451 558900960 /nfs/dbraw/zinc/90/09/60/558900960.db2.gz CLBTXIBJLJQCML-UHFFFAOYSA-N 0 0 402.401 4.861 50 0 HJAARN C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)N1CC=C(c2ccccc2)CC1 ZINC000058143674 558901689 /nfs/dbraw/zinc/90/16/89/558901689.db2.gz FSEMFGGOALFGIN-CVEARBPZSA-N 0 0 405.567 4.960 50 0 HJAARN Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)Nc1ccc(C)cc1C ZINC000033173834 558902085 /nfs/dbraw/zinc/90/20/85/558902085.db2.gz ZLKZBRNXIDTDTF-UHFFFAOYSA-N 0 0 415.462 4.883 50 0 HJAARN CCOC(=O)Nc1cccc(C(=O)N(CCc2ccccc2)Cc2ccncc2)c1 ZINC000058163076 558906268 /nfs/dbraw/zinc/90/62/68/558906268.db2.gz KGAKRAOJIMXKLZ-UHFFFAOYSA-N 0 0 403.482 4.535 50 0 HJAARN O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ncccc1OCC1CCCCC1 ZINC000058163038 558906350 /nfs/dbraw/zinc/90/63/50/558906350.db2.gz PWLZQBFHJNIXGH-UHFFFAOYSA-N 0 0 424.476 4.801 50 0 HJAARN O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071758959 558909743 /nfs/dbraw/zinc/90/97/43/558909743.db2.gz DJNCZHGZZTZTNL-LJQANCHMSA-N 0 0 404.485 4.666 50 0 HJAARN Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)c1cc(Cl)cc(Cl)c1 ZINC000058178691 558909842 /nfs/dbraw/zinc/90/98/42/558909842.db2.gz IRICEWJAPOPLSG-UHFFFAOYSA-N 0 0 409.338 4.743 50 0 HJAARN O=C(Nc1ccnn1Cc1cccc(Br)c1)c1ccccc1OC(F)F ZINC000058194542 558910740 /nfs/dbraw/zinc/91/07/40/558910740.db2.gz JHYGUOSOFXOORC-UHFFFAOYSA-N 0 0 422.229 4.548 50 0 HJAARN O=C(c1ccc(-c2ccc(CO)cc2)nc1)N1CCC(CCc2ccccc2)CC1 ZINC000071776580 558911804 /nfs/dbraw/zinc/91/18/04/558911804.db2.gz CWUYOZPKOCJFIS-UHFFFAOYSA-N 0 0 400.522 4.726 50 0 HJAARN Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CC(=O)Nc1ccc(C)cc1 ZINC000004702689 558912733 /nfs/dbraw/zinc/91/27/33/558912733.db2.gz NEIUMEZAYTZSFU-RUZDIDTESA-N 0 0 409.489 4.969 50 0 HJAARN CCC[C@@H](NC(=O)CCCNC(=O)c1ccsc1)c1cccc(C(F)(F)F)c1 ZINC000058218091 558912776 /nfs/dbraw/zinc/91/27/76/558912776.db2.gz WOJDKSLTLYVVCD-QGZVFWFLSA-N 0 0 412.477 4.935 50 0 HJAARN Cc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(Cl)cc1Cl ZINC000004704194 558913497 /nfs/dbraw/zinc/91/34/97/558913497.db2.gz JCKZQCRJZVNUSL-SFHVURJKSA-N 0 0 414.296 4.821 50 0 HJAARN Cc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(Cl)cc1Cl ZINC000004704193 558913524 /nfs/dbraw/zinc/91/35/24/558913524.db2.gz JCKZQCRJZVNUSL-GOSISDBHSA-N 0 0 414.296 4.821 50 0 HJAARN C[C@@H](NS(=O)(=O)Cc1cccc(C(F)(F)F)c1)c1cccc(Br)c1 ZINC000058225836 558913702 /nfs/dbraw/zinc/91/37/02/558913702.db2.gz FGWOUUREGYAIFG-LLVKDONJSA-N 0 0 422.266 4.649 50 0 HJAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@@H]3c2cccc(OC)c2)cc1 ZINC000004715969 558915509 /nfs/dbraw/zinc/91/55/09/558915509.db2.gz RNEDUQJGXFVNBB-UKILVPOCSA-N 0 0 416.477 4.955 50 0 HJAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccc(OC)cc2)cc1 ZINC000004715971 558915513 /nfs/dbraw/zinc/91/55/13/558915513.db2.gz LKCCESQZLITANT-UKILVPOCSA-N 0 0 416.477 4.955 50 0 HJAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)n2ncnc2N1 ZINC000004716135 558915702 /nfs/dbraw/zinc/91/57/02/558915702.db2.gz IJVALCHCFBHUSQ-QGZVFWFLSA-N 0 0 400.269 4.513 50 0 HJAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)n2ncnc2N1 ZINC000004716134 558915715 /nfs/dbraw/zinc/91/57/15/558915715.db2.gz IJVALCHCFBHUSQ-KRWDZBQOSA-N 0 0 400.269 4.513 50 0 HJAARN CCC[C@@H](NC(=O)CNC(=O)c1ccccc1Cl)c1cccc(C(F)(F)F)c1 ZINC000058294711 558917175 /nfs/dbraw/zinc/91/71/75/558917175.db2.gz VQIUOYVGMKGLFF-QGZVFWFLSA-N 0 0 412.839 4.746 50 0 HJAARN O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1ccccc1COc1ccccc1 ZINC000058314988 558919155 /nfs/dbraw/zinc/91/91/55/558919155.db2.gz GUOHMBPSRATKHC-IBGZPJMESA-N 0 0 404.485 4.661 50 0 HJAARN CC[C@H](C(=O)Nc1cccc(C)c1C)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000033251035 558919540 /nfs/dbraw/zinc/91/95/40/558919540.db2.gz IPSBITVXOXXHLW-MRXNPFEDSA-N 0 0 403.404 4.622 50 0 HJAARN Cc1ccc2[nH]c([C@H]3CCCN3C(=O)Cc3csc(-c4ccsc4)n3)nc2c1 ZINC000058342306 558920539 /nfs/dbraw/zinc/92/05/39/558920539.db2.gz VTVLTMJOSAHKAM-GOSISDBHSA-N 0 0 408.552 4.963 50 0 HJAARN O=C(NCCCc1ccccc1)c1[nH]c2ccc(F)cc2c1NC(=O)c1ccccc1 ZINC000033252529 558920807 /nfs/dbraw/zinc/92/08/07/558920807.db2.gz ONZZYWRBVDLQPY-UHFFFAOYSA-N 0 0 415.468 4.922 50 0 HJAARN C[C@@]1(C(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccccc2F)CC1(Cl)Cl ZINC000058367907 558922366 /nfs/dbraw/zinc/92/23/66/558922366.db2.gz WMLCTOIZUWIOSN-PXNSSMCTSA-N 0 0 421.299 4.696 50 0 HJAARN COc1cccc(-c2nnc(-c3ccccc3NC(=O)c3ccc(F)cc3F)o2)c1 ZINC000004722500 558922487 /nfs/dbraw/zinc/92/24/87/558922487.db2.gz HHEKQULURBYXSA-UHFFFAOYSA-N 0 0 407.376 4.943 50 0 HJAARN O=C(Nc1ccc(F)cc1)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000033255258 558923160 /nfs/dbraw/zinc/92/31/60/558923160.db2.gz VHXHTHURYDKNPF-UHFFFAOYSA-N 0 0 400.841 4.941 50 0 HJAARN CCc1cc(Sc2ccccc2NC(=O)c2cccc(Cl)c2)n2ncnc2n1 ZINC000033257073 558924115 /nfs/dbraw/zinc/92/41/15/558924115.db2.gz JOVXJMNVPJXRKU-UHFFFAOYSA-N 0 0 409.902 4.744 50 0 HJAARN O=C(c1cccc(-c2noc(CCc3c[nH]c4ccccc34)n2)c1)N1CCCCC1 ZINC000033257849 558924666 /nfs/dbraw/zinc/92/46/66/558924666.db2.gz PPVSJXJOSPTHKS-UHFFFAOYSA-N 0 0 400.482 4.629 50 0 HJAARN Cc1ccc(NC(=O)N2CCN(c3ccc(-c4noc(C(C)C)n4)cc3)CC2)cc1 ZINC000033258313 558925010 /nfs/dbraw/zinc/92/50/10/558925010.db2.gz CTOGWDZMSHTHHG-UHFFFAOYSA-N 0 0 405.502 4.523 50 0 HJAARN Cn1nc2c(c1NC(=O)c1cccc(Oc3cccc(C(F)(F)F)c3)c1)CCC2 ZINC000058416457 558925445 /nfs/dbraw/zinc/92/54/45/558925445.db2.gz DPCBFKPVZPQPDF-UHFFFAOYSA-N 0 0 401.388 4.972 50 0 HJAARN Cc1c(C(=O)N[C@H](c2nc(-c3ccccc3)no2)C(C)C)oc2c1C(=O)CC(C)(C)C2 ZINC000058417910 558925474 /nfs/dbraw/zinc/92/54/74/558925474.db2.gz NMZCNNAITKDDLG-IBGZPJMESA-N 0 0 421.497 4.920 50 0 HJAARN COc1ccccc1-c1nnc(SC(c2ccc(F)cc2)c2ccc(F)cc2)n1N ZINC000058423581 558926007 /nfs/dbraw/zinc/92/60/07/558926007.db2.gz CXGWQKOWBMEDEK-UHFFFAOYSA-N 0 0 424.476 4.827 50 0 HJAARN O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)c1cnc(-c2ccccc2)nc1 ZINC000058426907 558926246 /nfs/dbraw/zinc/92/62/46/558926246.db2.gz GMPRWHBAGBVJJW-UHFFFAOYSA-N 0 0 410.930 4.603 50 0 HJAARN CC[C@H](OC)C(=O)Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1 ZINC000058432590 558926606 /nfs/dbraw/zinc/92/66/06/558926606.db2.gz GLBRQCMDGRRAEP-HNNXBMFYSA-N 0 0 407.239 4.760 50 0 HJAARN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@@H]1COc2ccccc21 ZINC000058728779 558929649 /nfs/dbraw/zinc/92/96/49/558929649.db2.gz QERSXDDTJOOACA-MRXNPFEDSA-N 0 0 400.887 4.547 50 0 HJAARN CC(C)(C)[C@H]1CCc2sc(C(=O)N3CCC[C@@H]3C(=O)Nc3nccs3)cc2C1 ZINC000058779512 558930083 /nfs/dbraw/zinc/93/00/83/558930083.db2.gz RYOKLJWBGKMFPV-LSDHHAIUSA-N 0 0 417.600 4.599 50 0 HJAARN O=C1C[C@H](c2ccc(OCc3cccc(F)c3)cc2)c2c(=O)[nH]c3ccccc3c2O1 ZINC000004629513 558932984 /nfs/dbraw/zinc/93/29/84/558932984.db2.gz RVXISVPPAWLVOG-HXUWFJFHSA-N 0 0 415.420 4.687 50 0 HJAARN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N(Cc1cccnc1)C[C@H]1CCCO1 ZINC000059786850 558939244 /nfs/dbraw/zinc/93/92/44/558939244.db2.gz PXRZOJFDKILXRF-CJFMBICVSA-N 0 0 416.521 4.724 50 0 HJAARN Cc1ccc(Cn2c(CCNC(=O)Nc3cc(C)cc(C)c3)nc3cccnc32)cc1 ZINC000033263722 558943124 /nfs/dbraw/zinc/94/31/24/558943124.db2.gz ZRKGTTGXALAKIR-UHFFFAOYSA-N 0 0 413.525 4.769 50 0 HJAARN O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000011206423 558947853 /nfs/dbraw/zinc/94/78/53/558947853.db2.gz KCRBLZFHTMPIQY-UHFFFAOYSA-N 0 0 403.463 4.837 50 0 HJAARN CC[C@@H](C(=O)Nc1cccc(C)c1)n1nc(-c2ccccc2)c2c(c1=O)CCCC2 ZINC000021783572 558949132 /nfs/dbraw/zinc/94/91/32/558949132.db2.gz NGYYJFNRCSGVRE-QFIPXVFZSA-N 0 0 401.510 4.687 50 0 HJAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c3ccsc3cc2C(=O)N1Cc1ccccc1 ZINC000021808179 558952691 /nfs/dbraw/zinc/95/26/91/558952691.db2.gz CXIGQVMYZUQEAX-XMMPIXPASA-N 0 0 421.566 4.566 50 0 HJAARN COc1cccc(CNC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(F)cc2)c1 ZINC000033062302 558956069 /nfs/dbraw/zinc/95/60/69/558956069.db2.gz MWCVSAYUCVSFKP-QFIPXVFZSA-N 0 0 417.484 4.947 50 0 HJAARN Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000064450491 558963586 /nfs/dbraw/zinc/96/35/86/558963586.db2.gz FJBOYNMVZXLOJM-UHFFFAOYSA-N 0 0 411.508 4.883 50 0 HJAARN CCc1cccc(N2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NC2CCCC2)c1 ZINC000064662114 558964939 /nfs/dbraw/zinc/96/49/39/558964939.db2.gz ADEMXMCQJPJTGE-XMMPIXPASA-N 0 0 421.566 4.743 50 0 HJAARN Cc1nn(-c2nc(-c3ccc(C)cc3)cs2)c(C)c1CC(=O)N1CCCCCC1 ZINC000064790166 558965460 /nfs/dbraw/zinc/96/54/60/558965460.db2.gz YWBMENVAIJGZLH-UHFFFAOYSA-N 0 0 408.571 4.866 50 0 HJAARN O=C(CSc1nc2ccccc2nc1Cc1ccccc1)NCc1ccc(F)cc1 ZINC000033068781 558969883 /nfs/dbraw/zinc/96/98/83/558969883.db2.gz ZMCJRCNODBTXIK-UHFFFAOYSA-N 0 0 417.509 4.768 50 0 HJAARN CCOc1ccc(NC(=O)c2cnc3c(-c4cccc(C)c4)c(C)nn3c2C)cc1 ZINC000021914402 558971494 /nfs/dbraw/zinc/97/14/94/558971494.db2.gz PGJSASLAVMQNQY-UHFFFAOYSA-N 0 0 400.482 4.973 50 0 HJAARN CC[C@H]1CN(Cc2cn(-c3ccccc3C)nc2-c2ccc(OC)c(F)c2)CCO1 ZINC000072420312 558978450 /nfs/dbraw/zinc/97/84/50/558978450.db2.gz RFFIYARYUUYBJD-FQEVSTJZSA-N 0 0 409.505 4.606 50 0 HJAARN CCc1cc(C(=O)Nc2nn(-c3ccc(F)cc3)c3cccc(OC(C)C)c23)n(C)n1 ZINC000072427227 558979088 /nfs/dbraw/zinc/97/90/88/558979088.db2.gz SQDIFRCDSGRVMG-UHFFFAOYSA-N 0 0 421.476 4.500 50 0 HJAARN CCN(Cc1ccccc1)C(=O)c1cccc([C@H]2CCCN(C(=O)NC(C)C)C2)c1 ZINC000033264290 558984211 /nfs/dbraw/zinc/98/42/11/558984211.db2.gz BPNIQHOWGYJAHY-QHCPKHFHSA-N 0 0 407.558 4.646 50 0 HJAARN CC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)N[C@@H](C)c3ccc(F)cc3)c2)C1 ZINC000033264366 558984396 /nfs/dbraw/zinc/98/43/96/558984396.db2.gz ISGJZBYEEPKLJD-UWJYYQICSA-N 0 0 411.521 4.614 50 0 HJAARN CCCCCN(C(=O)Cc1c[nH]c2ccccc12)c1nc(C)c(C(=O)OCC)s1 ZINC000011232670 558987389 /nfs/dbraw/zinc/98/73/89/558987389.db2.gz YEEQNQSOTZGDJB-UHFFFAOYSA-N 0 0 413.543 4.875 50 0 HJAARN COC(=O)c1sccc1NC(=O)/C=C\c1cc(Cl)c(OC(C)C)c(OC)c1 ZINC000096794666 558990862 /nfs/dbraw/zinc/99/08/62/558990862.db2.gz WPAXXJMNMIFTAS-WAYWQWQTSA-N 0 0 409.891 4.636 50 0 HJAARN CSc1ccc(NC(=O)N2CC[C@@H](n3c(-c4ccoc4)nc4cccnc43)C2)cc1 ZINC000097088551 558991345 /nfs/dbraw/zinc/99/13/45/558991345.db2.gz SXVIXYUSQQZPTH-QGZVFWFLSA-N 0 0 419.510 4.892 50 0 HJAARN CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3cccc4ncccc43)nc2)C1 ZINC000067816984 558993216 /nfs/dbraw/zinc/99/32/16/558993216.db2.gz LXLLOXULQSABFI-LJQANCHMSA-N 0 0 401.510 4.764 50 0 HJAARN CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3cccc4ncccc43)nc2)C1 ZINC000067816985 558993375 /nfs/dbraw/zinc/99/33/75/558993375.db2.gz LXLLOXULQSABFI-IBGZPJMESA-N 0 0 401.510 4.764 50 0 HJAARN Cc1cc(SCC(=O)N[C@@H](C)c2ccccc2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000033268964 558993485 /nfs/dbraw/zinc/99/34/85/558993485.db2.gz QOQBOBHODLUKNW-INIZCTEOSA-N 0 0 420.513 4.813 50 0 HJAARN CCOc1ccc(NC(=O)CCCc2nc3cccnc3n2-c2ccccc2)cc1 ZINC000033269159 558994282 /nfs/dbraw/zinc/99/42/82/558994282.db2.gz KKEGYNGKQZNAIP-UHFFFAOYSA-N 0 0 400.482 4.781 50 0 HJAARN Cc1ccc(Oc2ccc(NC(=O)Nc3ccn(CCc4ccncc4)n3)cn2)cc1 ZINC000097117571 558996109 /nfs/dbraw/zinc/99/61/09/558996109.db2.gz JHKIQEZTTGYGAW-UHFFFAOYSA-N 0 0 414.469 4.661 50 0 HJAARN COc1ccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1 ZINC000022503189 558997580 /nfs/dbraw/zinc/99/75/80/558997580.db2.gz PXGHROCTLQJRFF-UHFFFAOYSA-N 0 0 401.466 4.932 50 0 HJAARN COc1ccc2nc(NC(=O)c3ccccc3OCc3csc(C)n3)sc2c1 ZINC000023077888 558999177 /nfs/dbraw/zinc/99/91/77/558999177.db2.gz RTVJHKYMGKWAEF-UHFFFAOYSA-N 0 0 411.508 4.901 50 0 HJAARN CCCOc1c(Br)cc(C=C2SC(=S)NC2=O)cc1OCC ZINC000023100814 559009628 /nfs/dbraw/zinc/00/96/28/559009628.db2.gz VMWIZGHWURGVAN-WQLSENKSSA-N 0 0 402.335 4.966 50 0 HJAARN Cc1cc(C)c(S(=O)(=O)Cc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1C ZINC000023125823 559013786 /nfs/dbraw/zinc/01/37/86/559013786.db2.gz REBHBEYPZUAHPM-UHFFFAOYSA-N 0 0 410.417 4.655 50 0 HJAARN COc1ccc(-n2ccnc2S[C@H](C)C(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000023138912 559019958 /nfs/dbraw/zinc/01/99/58/559019958.db2.gz XSFOEABTALYLJR-MRXNPFEDSA-N 0 0 423.538 4.839 50 0 HJAARN O=C(COc1ccc(Cl)cc1Cl)NCCOc1cccc(C(F)(F)F)c1 ZINC000023142490 559020738 /nfs/dbraw/zinc/02/07/38/559020738.db2.gz JOHNVXACUFGUSU-UHFFFAOYSA-N 0 0 408.203 4.586 50 0 HJAARN COc1ccc2nc(N(CCn3cccn3)C(=O)c3cc4ccccc4o3)sc2c1 ZINC000023144800 559021094 /nfs/dbraw/zinc/02/10/94/559021094.db2.gz LFPJOCNHSOEDHN-UHFFFAOYSA-N 0 0 418.478 4.595 50 0 HJAARN C[C@@H](NC(=O)C1CCCCC1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000023181135 559031129 /nfs/dbraw/zinc/03/11/29/559031129.db2.gz NWQBJFCBIOHNOZ-XXBNENTESA-N 0 0 411.615 4.696 50 0 HJAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cc(C)ccc3C)sc2c1 ZINC000033271554 559033017 /nfs/dbraw/zinc/03/30/17/559033017.db2.gz NTTFMTNABOREMP-QGZVFWFLSA-N 0 0 418.522 4.890 50 0 HJAARN Cc1cccc(NC(=O)N2CCC(c3nnc(C(=O)Nc4ccccc4)s3)CC2)c1 ZINC000033273087 559033709 /nfs/dbraw/zinc/03/37/09/559033709.db2.gz KYZNGOFBPHLQNA-UHFFFAOYSA-N 0 0 421.526 4.510 50 0 HJAARN Cc1ccccc1NC(=O)N1CCC(c2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000033273080 559033727 /nfs/dbraw/zinc/03/37/27/559033727.db2.gz HUOARCLHNFFGOE-UHFFFAOYSA-N 0 0 421.526 4.510 50 0 HJAARN CCc1ccc(NC(=O)c2cn(-c3cc(-c4noc(C)n4)ccc3C)nc2C)cc1 ZINC000033275265 559034759 /nfs/dbraw/zinc/03/47/59/559034759.db2.gz VPYQRYDKFYHXST-UHFFFAOYSA-N 0 0 401.470 4.662 50 0 HJAARN COC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc21 ZINC000004735767 559034858 /nfs/dbraw/zinc/03/48/58/559034858.db2.gz XAMZWCIRHCGWTH-UHFFFAOYSA-N 0 0 415.511 4.935 50 0 HJAARN CCn1c(COc2c(C)cccc2C)nnc1SCCOc1ccccc1OC ZINC000004736054 559035194 /nfs/dbraw/zinc/03/51/94/559035194.db2.gz AUGGVLYLGKKPCJ-UHFFFAOYSA-N 0 0 413.543 4.674 50 0 HJAARN Nc1c(Cl)cc(Br)c(-c2nc3ncccc3o2)c1Br ZINC000004736611 559036559 /nfs/dbraw/zinc/03/65/59/559036559.db2.gz HSEXFWIUQFQUQS-UHFFFAOYSA-N 0 0 403.461 4.650 50 0 HJAARN Cc1nc(C)n(C[C@H](C)C(=O)NCc2cc(C)cc3c(C)c(-c4ccccc4)[nH]c32)n1 ZINC000082107164 559038470 /nfs/dbraw/zinc/03/84/70/559038470.db2.gz GMPJSIYLGCVEIV-INIZCTEOSA-N 0 0 415.541 4.613 50 0 HJAARN COc1ccc(CN2CCc3nc(SCc4ccc(C)c(C)c4)[nH]c(=O)c3C2)cc1 ZINC000033287263 559043913 /nfs/dbraw/zinc/04/39/13/559043913.db2.gz UEUAKCYNXDPCRC-UHFFFAOYSA-N 0 0 421.566 4.658 50 0 HJAARN CCc1ccc(NC(=O)C2CCN(c3nccnc3Oc3ccc(C)cc3)CC2)cc1 ZINC000033288215 559044253 /nfs/dbraw/zinc/04/42/53/559044253.db2.gz VXZRAAHHRJENSA-UHFFFAOYSA-N 0 0 416.525 4.995 50 0 HJAARN CC(=O)c1cccc(NC(=O)CSc2nccnc2Sc2ccccc2C)c1 ZINC000033288972 559044457 /nfs/dbraw/zinc/04/44/57/559044457.db2.gz VKDPGAKSBXNEMW-UHFFFAOYSA-N 0 0 409.536 4.870 50 0 HJAARN CCOc1ccc(C(NC(=O)c2cccc(C)c2)NC(=O)c2cccc(C)c2)cc1 ZINC000004747642 559046027 /nfs/dbraw/zinc/04/60/27/559046027.db2.gz CMJODPWNUOJTMY-UHFFFAOYSA-N 0 0 402.494 4.561 50 0 HJAARN Cc1oc2c(cc3c(C)c(CC(=O)NCc4ccc(F)cc4)c(=O)oc3c2C)c1C ZINC000004744033 559046244 /nfs/dbraw/zinc/04/62/44/559046244.db2.gz TYDZVDYJQUNMRP-UHFFFAOYSA-N 0 0 407.441 4.771 50 0 HJAARN Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCc3cccc(Cl)c3)c(C)c21 ZINC000004744327 559046335 /nfs/dbraw/zinc/04/63/35/559046335.db2.gz YQQGHZNKSAJUPI-UHFFFAOYSA-N 0 0 409.869 4.977 50 0 HJAARN COc1cccc(NC(=O)CSc2nccc3c2ccn3Cc2ccccc2)c1 ZINC000033298389 559047927 /nfs/dbraw/zinc/04/79/27/559047927.db2.gz WUCGVBYBZMKONN-UHFFFAOYSA-N 0 0 403.507 4.824 50 0 HJAARN Cc1cc(C)cc(C(=O)Nc2ccc(-c3cn4c(C(=O)N(C)C)csc4n3)cc2)c1 ZINC000033299433 559049409 /nfs/dbraw/zinc/04/94/09/559049409.db2.gz QFPZNYSLXGGUBN-UHFFFAOYSA-N 0 0 418.522 4.634 50 0 HJAARN CN(C)C(=O)c1csc2nc(-c3cccc(NC(=O)c4cccc(Cl)c4)c3)cn12 ZINC000033299498 559049463 /nfs/dbraw/zinc/04/94/63/559049463.db2.gz UVTKJZNEGGOAKB-UHFFFAOYSA-N 0 0 424.913 4.670 50 0 HJAARN Cc1[nH]nc(-c2c(C)sc(C)c2S(=O)(=O)N[C@@H]2CCCc3ccccc32)c1C ZINC000033306740 559051742 /nfs/dbraw/zinc/05/17/42/559051742.db2.gz RHDQRLBTWGKHIV-GOSISDBHSA-N 0 0 415.584 4.728 50 0 HJAARN Cc1[nH]nc(-c2c(C)sc(C)c2S(=O)(=O)NCCc2ccc(Cl)cc2)c1C ZINC000033306721 559051749 /nfs/dbraw/zinc/05/17/49/559051749.db2.gz SOEAOLFXXZLOJV-UHFFFAOYSA-N 0 0 423.991 4.546 50 0 HJAARN COc1ccc(-c2nnc(COc3ccc(NC(=O)Cc4cccs4)cc3)o2)cc1 ZINC000033308308 559052497 /nfs/dbraw/zinc/05/24/97/559052497.db2.gz AOTAXAHKGDRRGA-UHFFFAOYSA-N 0 0 421.478 4.567 50 0 HJAARN COc1ccc(-c2nnc(COc3ccc(NC(=O)c4ccc(C)s4)cc3)o2)cc1 ZINC000033308311 559052500 /nfs/dbraw/zinc/05/25/00/559052500.db2.gz WVDKVXDQWLZFLM-UHFFFAOYSA-N 0 0 421.478 4.946 50 0 HJAARN CCc1nc(-c2cc(S(=O)(=O)NCc3ccc(SC)cc3)c(C)s2)cs1 ZINC000033308456 559052612 /nfs/dbraw/zinc/05/26/12/559052612.db2.gz SSQRECZFDHHYEV-UHFFFAOYSA-N 0 0 424.638 4.943 50 0 HJAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCCc1cc(Cl)cc(Cl)c1 ZINC000060114459 559053270 /nfs/dbraw/zinc/05/32/70/559053270.db2.gz BKLPJYVPINNSDU-UHFFFAOYSA-N 0 0 406.288 4.908 50 0 HJAARN CCOc1ccccc1NC(=O)c1ccc(-c2nccnc2N2CCCCC2)cc1 ZINC000033313116 559055176 /nfs/dbraw/zinc/05/51/76/559055176.db2.gz FCTINWOAWMYCPZ-UHFFFAOYSA-N 0 0 402.498 4.785 50 0 HJAARN CCc1ccc(CNC(=O)c2ccc(-c3nccnc3N3CCCCC3)cc2)cc1 ZINC000033313166 559055181 /nfs/dbraw/zinc/05/51/81/559055181.db2.gz BPNPPDNAZBLSFB-UHFFFAOYSA-N 0 0 400.526 4.626 50 0 HJAARN O=C1[C@H]2CS[C@@H](c3cccc(Cl)c3)N2C(=O)N1c1ccc(Br)cc1 ZINC000033317884 559055730 /nfs/dbraw/zinc/05/57/30/559055730.db2.gz SNOXUXSHMUGBDT-ZBFHGGJFSA-N 0 0 423.719 4.685 50 0 HJAARN C[C@H]1CCCN(C(=O)COc2ccccc2-c2noc(-c3ccc(Cl)cc3)n2)C1 ZINC000033325248 559058737 /nfs/dbraw/zinc/05/87/37/559058737.db2.gz ZDMWQPXBPWQBHU-HNNXBMFYSA-N 0 0 411.889 4.694 50 0 HJAARN O=C(COc1cccc(-c2noc(-c3cccc(F)c3)n2)c1)Nc1ccc(F)cc1 ZINC000033327342 559060069 /nfs/dbraw/zinc/06/00/69/559060069.db2.gz PSPCKGNNZZMAJS-UHFFFAOYSA-N 0 0 407.376 4.699 50 0 HJAARN C[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000098064868 559062695 /nfs/dbraw/zinc/06/26/95/559062695.db2.gz ZFUOSFOFDDSMKQ-QJPKHSJYSA-N 0 0 418.946 4.767 50 0 HJAARN COc1ccc(Nc2nc3nonc3nc2Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000098086416 559065011 /nfs/dbraw/zinc/06/50/11/559065011.db2.gz YQFMBQJTFSAPBD-UHFFFAOYSA-N 0 0 403.229 4.815 50 0 HJAARN COc1ccc(C(=O)Nc2c(-c3ccc(F)cc3)nc3cc(C)ccn32)c(OC)c1 ZINC000004790963 559065563 /nfs/dbraw/zinc/06/55/63/559065563.db2.gz QFJLOXKYZKWHRV-UHFFFAOYSA-N 0 0 405.429 4.718 50 0 HJAARN Cc1ccc2cccc(OCCCOc3ccccc3I)c2n1 ZINC000016247699 559076208 /nfs/dbraw/zinc/07/62/08/559076208.db2.gz YKEFYOPBXQYBEN-UHFFFAOYSA-N 0 0 419.262 4.996 50 0 HJAARN O=C(Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1cc(Cl)ccc1F ZINC000011452522 559077059 /nfs/dbraw/zinc/07/70/59/559077059.db2.gz WYNCGMWLPLYVQV-UHFFFAOYSA-N 0 0 401.850 4.740 50 0 HJAARN CCOC(=O)[C@@](NC(=O)Nc1ccccc1Cl)(c1ccc(F)cc1)C(F)(F)F ZINC000016393961 559077255 /nfs/dbraw/zinc/07/72/55/559077255.db2.gz DYQGAITWLVJFLG-KRWDZBQOSA-N 0 0 418.774 4.622 50 0 HJAARN COc1cccc(C(=O)N2c3ncnn3[C@H](c3ccccc3)C[C@@H]2c2ccccc2)c1 ZINC000004815010 559077972 /nfs/dbraw/zinc/07/79/72/559077972.db2.gz PDWQODMSHOYVKR-PKTZIBPZSA-N 0 0 410.477 4.668 50 0 HJAARN COCCn1c2ccccc2nc1S[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000011490316 559078193 /nfs/dbraw/zinc/07/81/93/559078193.db2.gz AWTBUJGPFVSGOC-CYBMUJFWSA-N 0 0 423.460 4.821 50 0 HJAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@@H]1CCCN(c2nccs2)C1 ZINC000095516552 559084612 /nfs/dbraw/zinc/08/46/12/559084612.db2.gz QIVKWCYLYLIOEH-MRXNPFEDSA-N 0 0 403.511 4.542 50 0 HJAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000004815603 559087696 /nfs/dbraw/zinc/08/76/96/559087696.db2.gz KXGHORBXHRQSGF-TZPNTHKFSA-N 0 0 415.537 4.526 50 0 HJAARN O=C(Nc1ccccc1C(F)(F)F)c1ccccc1N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000096190072 559101144 /nfs/dbraw/zinc/10/11/44/559101144.db2.gz KHQSPRMCVPPRPQ-ZIAGYGMSSA-N 0 0 416.399 4.637 50 0 HJAARN CCCCNC(=O)N1CCN(c2ccc(NC(=O)Nc3c(C)cccc3C)cc2)CC1 ZINC000096203322 559101385 /nfs/dbraw/zinc/10/13/85/559101385.db2.gz AGSDQPMUMJQEKC-UHFFFAOYSA-N 0 0 423.561 4.579 50 0 HJAARN COc1ccc(OC)c(NC(=O)c2sc3nc4c(cc3c2N)CCCCCC4)c1 ZINC000096901476 559112630 /nfs/dbraw/zinc/11/26/30/559112630.db2.gz SWVDPAAMTCYGKH-UHFFFAOYSA-N 0 0 411.527 4.807 50 0 HJAARN Cc1nc(CSc2ccccc2C(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)cs1 ZINC000011596179 559113426 /nfs/dbraw/zinc/11/34/26/559113426.db2.gz CRHSEABAHJYKDM-KBXCAEBGSA-N 0 0 418.584 4.596 50 0 HJAARN COc1ccc([C@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2C(=O)C(C)C)cc1 ZINC000004816865 559114793 /nfs/dbraw/zinc/11/47/93/559114793.db2.gz KDKUVYKUYLWYEQ-UXHICEINSA-N 0 0 410.905 4.664 50 0 HJAARN CCCCC(=O)N1c2ncnn2[C@H](c2ccccc2OC)C[C@H]1c1ccc(OC)cc1 ZINC000004816999 559115107 /nfs/dbraw/zinc/11/51/07/559115107.db2.gz BLEBZGPLOOWERG-SFTDATJTSA-N 0 0 420.513 4.553 50 0 HJAARN O=C(Cc1ccc(F)c(F)c1)N1CCC(n2cnc3cc(C(F)(F)F)ccc32)CC1 ZINC000023315966 559116849 /nfs/dbraw/zinc/11/68/49/559116849.db2.gz RNZAKUDITBHOJH-UHFFFAOYSA-N 0 0 423.385 4.740 50 0 HJAARN CCc1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(OC)c(F)c3)no2)c1 ZINC000098211384 559127293 /nfs/dbraw/zinc/12/72/93/559127293.db2.gz GGZCXWRMZLUBNR-UHFFFAOYSA-N 0 0 420.444 4.554 50 0 HJAARN N=c1oc2ccccc2cc1Sc1nc2ccccc2c(=O)n1-c1ccccc1F ZINC000098212133 559127629 /nfs/dbraw/zinc/12/76/29/559127629.db2.gz YBWVMUZQQFOZEL-UHFFFAOYSA-N 0 0 415.449 4.902 50 0 HJAARN CC(C)(C)c1ccc(C(=O)NC2CCN(c3cc(-c4ccccc4)[nH]n3)CC2)cc1 ZINC000098212565 559127755 /nfs/dbraw/zinc/12/77/55/559127755.db2.gz VXRQTMVOQJHHKA-UHFFFAOYSA-N 0 0 402.542 4.773 50 0 HJAARN FC(F)Oc1ccc(C2=Nc3ncnn3[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000100716286 559138174 /nfs/dbraw/zinc/13/81/74/559138174.db2.gz NGLDOGPGMGLXRC-INIZCTEOSA-N 0 0 408.330 4.954 50 0 HJAARN FC(F)Oc1ccccc1C1=Nc2ncnn2[C@H](c2ccc(Br)cc2)C1 ZINC000100717335 559138348 /nfs/dbraw/zinc/13/83/48/559138348.db2.gz YANHJPIXBMYVKB-HNNXBMFYSA-N 0 0 419.229 4.698 50 0 HJAARN CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC000100890084 559141559 /nfs/dbraw/zinc/14/15/59/559141559.db2.gz PLQJMFHKHHNQDD-OYRHEFFESA-N 0 0 404.510 4.743 50 0 HJAARN CC(=O)N[C@H](CC(=O)Nc1nc(-c2cc(C)ccc2C)cs1)c1ccc(C)cc1 ZINC000014047920 559146831 /nfs/dbraw/zinc/14/68/31/559146831.db2.gz YMMGFKUGCGIFQP-HXUWFJFHSA-N 0 0 407.539 4.941 50 0 HJAARN Cc1nnc(SCc2ccc(Cl)cc2)nc1/C=C/NOCc1cccc(F)c1 ZINC000100104816 559150688 /nfs/dbraw/zinc/15/06/88/559150688.db2.gz KQLXSARFMKMBPS-MDZDMXLPSA-N 0 0 416.909 4.957 50 0 HJAARN Cc1nc2c(cc1C(=O)/C=C\c1ccc(I)cc1)CCCC2 ZINC000033391161 559157419 /nfs/dbraw/zinc/15/74/19/559157419.db2.gz HAHHEDRLYNUKHP-FLIBITNWSA-N 0 0 403.263 4.770 50 0 HJAARN COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)N(C(=O)CCc1ccccc1)CC2 ZINC000023334973 559172779 /nfs/dbraw/zinc/17/27/79/559172779.db2.gz KLPCOGLBEGRHBU-AREMUKBSSA-N 0 0 419.496 4.950 50 0 HJAARN CCCN(C)C(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccc(CC)cc2)cc1 ZINC000023335193 559172886 /nfs/dbraw/zinc/17/28/86/559172886.db2.gz YOTGJMWNWNNETE-UHFFFAOYSA-N 0 0 419.525 4.760 50 0 HJAARN CCOC(=O)c1ccccc1NC(=O)c1sc2cc3c(cc2c1Cl)OCO3 ZINC000023426347 559174006 /nfs/dbraw/zinc/17/40/06/559174006.db2.gz LTKDFHURENCDBI-UHFFFAOYSA-N 0 0 403.843 4.712 50 0 HJAARN COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)N(C(=O)c1cccc(F)c1)CC2 ZINC000023427195 559174121 /nfs/dbraw/zinc/17/41/21/559174121.db2.gz GXHCFOZVMRQZGJ-QHCPKHFHSA-N 0 0 409.432 4.770 50 0 HJAARN COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)N(C(=O)c1cccc(F)c1)CC2 ZINC000023427199 559174126 /nfs/dbraw/zinc/17/41/26/559174126.db2.gz GXHCFOZVMRQZGJ-HSZRJFAPSA-N 0 0 409.432 4.770 50 0 HJAARN CCc1ccc(-c2noc(CCC(=O)NCc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000023437900 559174147 /nfs/dbraw/zinc/17/41/47/559174147.db2.gz PCOHEDQMUMWOPQ-UHFFFAOYSA-N 0 0 403.404 4.567 50 0 HJAARN COc1cccc(-c2cc(-c3ccc(C(=O)NCc4ccccc4F)cc3)n[nH]2)c1 ZINC000023434040 559174535 /nfs/dbraw/zinc/17/45/35/559174535.db2.gz UCOXTMJPTSPLIL-UHFFFAOYSA-N 0 0 401.441 4.821 50 0 HJAARN CC(C)C[C@H](C)NC(=O)c1nn(-c2ccccn2)c2nccc(-c3cccs3)c12 ZINC000023462374 559175794 /nfs/dbraw/zinc/17/57/94/559175794.db2.gz UHSHWTXEPPOLNV-HNNXBMFYSA-N 0 0 405.527 4.708 50 0 HJAARN Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)n1 ZINC000220810570 559177490 /nfs/dbraw/zinc/17/74/90/559177490.db2.gz SPSDANDCBPNTJC-KRWDZBQOSA-N 0 0 400.482 4.621 50 0 HJAARN Cc1nn(CC(C)C)c(Cl)c1C(=O)OCc1cc(=O)oc2cc(C)c(Cl)cc12 ZINC000023584505 559177492 /nfs/dbraw/zinc/17/74/92/559177492.db2.gz NYWMISXJMYQNFX-UHFFFAOYSA-N 0 0 423.296 4.926 50 0 HJAARN O=C(CC[C@@H]1Cc2ccccc2NC1=O)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000023663238 559178924 /nfs/dbraw/zinc/17/89/24/559178924.db2.gz CPNITCXYCUPMDK-YLJYHZDGSA-N 0 0 419.550 4.941 50 0 HJAARN C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)CS2 ZINC000023682262 559179141 /nfs/dbraw/zinc/17/91/41/559179141.db2.gz BXBCNPUTASFPGG-UZLBHIALSA-N 0 0 402.903 4.525 50 0 HJAARN O=C(Nc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)s1)c1ccco1 ZINC000023691588 559179308 /nfs/dbraw/zinc/17/93/08/559179308.db2.gz ZKAYUADMXGTRFY-UHFFFAOYSA-N 0 0 410.451 4.887 50 0 HJAARN CCCC(=O)Nc1c(-c2ccc(OC)cc2)c(=O)c(C)nn1-c1ccc(CC)cc1 ZINC000011692029 559185608 /nfs/dbraw/zinc/18/56/08/559185608.db2.gz FALJLJIORFIHCA-UHFFFAOYSA-N 0 0 405.498 4.518 50 0 HJAARN O=C(Cn1cc(-c2nnc(-c3ccccc3)o2)c2ccccc21)N1CCc2ccccc21 ZINC000011695944 559188683 /nfs/dbraw/zinc/18/86/83/559188683.db2.gz ZAHVLUQUKIHSPC-UHFFFAOYSA-N 0 0 420.472 4.948 50 0 HJAARN COc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccc(C)c(C)c2)cc1OC ZINC000004854508 559192396 /nfs/dbraw/zinc/19/23/96/559192396.db2.gz VCEZAXZXFSHXLJ-QHCPKHFHSA-N 0 0 405.498 4.759 50 0 HJAARN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccccc2)cc1OC ZINC000004872089 559194501 /nfs/dbraw/zinc/19/45/01/559194501.db2.gz NJHVRHMSDDWBDE-CJFMBICVSA-N 0 0 416.477 4.955 50 0 HJAARN CSc1nc2n(n1)[C@H](c1cccs1)C(C(=O)Nc1ccc(C)cc1C)=C(C)N2 ZINC000004878972 559195959 /nfs/dbraw/zinc/19/59/59/559195959.db2.gz FGDGMBSHHZEISN-QGZVFWFLSA-N 0 0 411.556 4.606 50 0 HJAARN O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1noc2c1CCCCC2 ZINC000004881305 559196382 /nfs/dbraw/zinc/19/63/82/559196382.db2.gz RQZNAVKUBWWGAW-UHFFFAOYSA-N 0 0 405.285 4.747 50 0 HJAARN O=C(NC1CCCCCC1)[C@H]1c2ccccc2C(=O)N1CCc1ccc(Cl)cc1 ZINC000004894313 559198848 /nfs/dbraw/zinc/19/88/48/559198848.db2.gz RWVWZYGTFPXXOE-JOCHJYFZSA-N 0 0 410.945 4.919 50 0 HJAARN COc1ccc(Nc2cc(C(=O)NCCCOC(C)C)c3ccccc3n2)c(OC)c1 ZINC000004910111 559201051 /nfs/dbraw/zinc/20/10/51/559201051.db2.gz GQCAJAYJMJTNPY-UHFFFAOYSA-N 0 0 423.513 4.541 50 0 HJAARN CN(Cc1ccccc1)C(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]c2ccccc21 ZINC000004909683 559201571 /nfs/dbraw/zinc/20/15/71/559201571.db2.gz PYUINWYIMHFKAK-RPBOFIJWSA-N 0 0 423.516 4.737 50 0 HJAARN CCOc1ccc(N2C(=O)c3ccccc3[C@H]2Nc2cc(OC)ccc2OC)cc1 ZINC000004918421 559204619 /nfs/dbraw/zinc/20/46/19/559204619.db2.gz NLXKCGTWEHMELH-QHCPKHFHSA-N 0 0 404.466 4.874 50 0 HJAARN Cc1nn(C)c(C)c1/C=C1\C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1O ZINC000118921899 559205827 /nfs/dbraw/zinc/20/58/27/559205827.db2.gz RPEZSVJLASPKQK-FEQPFJCWSA-N 0 0 410.602 4.715 50 0 HJAARN COc1cccc(-c2nc(SCC(=O)NCc3ccco3)c(-c3ccccc3)[nH]2)c1 ZINC000004927688 559208069 /nfs/dbraw/zinc/20/80/69/559208069.db2.gz SFKFUSZQYJORBX-UHFFFAOYSA-N 0 0 419.506 4.754 50 0 HJAARN Cc1ccc(CNC(=O)CCc2c(C)nc3cc(-c4cccc(F)c4)nn3c2C)cc1 ZINC000004935549 559210376 /nfs/dbraw/zinc/21/03/76/559210376.db2.gz GUNPZWWAWKKGJB-UHFFFAOYSA-N 0 0 416.500 4.710 50 0 HJAARN Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)NCc1ccc(F)cc1 ZINC000004935558 559210441 /nfs/dbraw/zinc/21/04/41/559210441.db2.gz DYKHABAHVWJAQQ-UHFFFAOYSA-N 0 0 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COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2OC)c1 ZINC000005035339 559233050 /nfs/dbraw/zinc/23/30/50/559233050.db2.gz RHVOGZHSAJIZFI-UHFFFAOYSA-N 0 0 416.433 4.955 50 0 HJAARN S=C(NCc1ccc(Cl)cc1)Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1 ZINC000005041586 559235713 /nfs/dbraw/zinc/23/57/13/559235713.db2.gz LDCXVIUEDSWLBS-UHFFFAOYSA-N 0 0 400.979 4.948 50 0 HJAARN Cc1nn([C@@H]2CCOC(C)(C)C2)c2c1[C@H](c1ccc(Cl)cc1)SCC(=O)N2 ZINC000005047155 559236668 /nfs/dbraw/zinc/23/66/68/559236668.db2.gz QIRBGZKVSKCRII-QAPCUYQASA-N 0 0 405.951 4.750 50 0 HJAARN COc1ccc(NC(=O)CN2c3ccccc3S[C@H](c3ccccc3)CC2=O)cc1 ZINC000005053030 559237235 /nfs/dbraw/zinc/23/72/35/559237235.db2.gz FCOLDJUKTDIOMY-QFIPXVFZSA-N 0 0 418.518 4.904 50 0 HJAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3cccs3)N2C1=O ZINC000005065979 559239839 /nfs/dbraw/zinc/23/98/39/559239839.db2.gz ZJLFXPOCNWXOIW-QAPCUYQASA-N 0 0 412.536 4.530 50 0 HJAARN COc1ccc(CCC(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)cc1 ZINC000005077341 559241890 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C[C@H](NC(=O)CSCc1cnn(-c2ccccc2)c1-n1cccc1)c1ccccc1 ZINC000005135561 559250654 /nfs/dbraw/zinc/25/06/54/559250654.db2.gz SWEXBCWRSFNLSB-IBGZPJMESA-N 0 0 416.550 4.774 50 0 HJAARN O=C(/C=C/c1ccccc1)N(Cc1cccnc1)c1nc2cc3c(cc2s1)OCO3 ZINC000005142231 559251807 /nfs/dbraw/zinc/25/18/07/559251807.db2.gz MESGDJFRNGKHLI-CMDGGOBGSA-N 0 0 415.474 4.667 50 0 HJAARN COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)c3ccccc3)nc21 ZINC000005142403 559251926 /nfs/dbraw/zinc/25/19/26/559251926.db2.gz HJBRESCXKKKYQF-UHFFFAOYSA-N 0 0 405.479 4.556 50 0 HJAARN CCN(C(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2)c1cc(C)ccc1C ZINC000005150540 559253504 /nfs/dbraw/zinc/25/35/04/559253504.db2.gz MYFXTUMOGUUQTF-UHFFFAOYSA-N 0 0 411.548 4.986 50 0 HJAARN Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)N3CCc4ccccc43)c(C)c12 ZINC000005150619 559253641 /nfs/dbraw/zinc/25/36/41/559253641.db2.gz IAVBVLGFIVCUSX-UHFFFAOYSA-N 0 0 410.521 4.868 50 0 HJAARN COC(=O)C1=C(C)N(Cc2cccc(F)c2)C(=O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000037575766 559254550 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Nc1c2ccc(-c3ccc4c(c3)OCO4)nc2sc1C(=O)Nc1ccccc1F ZINC000005270256 560560548 /nfs/dbraw/zinc/56/05/48/560560548.db2.gz IRONLKBEHULVNJ-UHFFFAOYSA-N 0 0 407.426 4.666 50 0 HJAARN CC(C)(C)C(=O)N(CCN1C(=O)c2ccccc2C1=O)c1ccc(C(C)(C)C)cc1 ZINC000005284321 560562647 /nfs/dbraw/zinc/56/26/47/560562647.db2.gz QAICRRMZGZSXLN-UHFFFAOYSA-N 0 0 406.526 4.659 50 0 HJAARN CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)ccn2)c1 ZINC000005324040 560564856 /nfs/dbraw/zinc/56/48/56/560564856.db2.gz DHKTTWNEWJHSSL-JOCHJYFZSA-N 0 0 412.445 4.645 50 0 HJAARN COc1cc(C=O)ccc1OC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000001177622 560571708 /nfs/dbraw/zinc/57/17/08/560571708.db2.gz BXBMHJCXVYKISP-FYWRMAATSA-N 0 0 424.456 4.979 50 0 HJAARN C[C@@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000005391947 560582485 /nfs/dbraw/zinc/58/24/85/560582485.db2.gz ICNONBCZPBBGCC-NWDGAFQWSA-N 0 0 405.882 4.887 50 0 HJAARN Cc1cc(NC(=O)CC[C@@H]2COc3ccccc3O2)ccc1NC(=O)c1ccccc1 ZINC000005424839 560585001 /nfs/dbraw/zinc/58/50/01/560585001.db2.gz YCVHHRGTXWYBGV-HXUWFJFHSA-N 0 0 416.477 4.806 50 0 HJAARN Cc1cc(NC(=O)CC[C@H]2COc3ccccc3O2)ccc1NC(=O)c1ccccc1 ZINC000005424861 560585022 /nfs/dbraw/zinc/58/50/22/560585022.db2.gz YCVHHRGTXWYBGV-FQEVSTJZSA-N 0 0 416.477 4.806 50 0 HJAARN COc1ccc(Br)cc1CN(C)C(=O)CCc1c[nH]c2ccccc12 ZINC000005421697 560585145 /nfs/dbraw/zinc/58/51/45/560585145.db2.gz RXPLDUUUDOTFLP-UHFFFAOYSA-N 0 0 401.304 4.530 50 0 HJAARN CCC(=O)N(C)[C@@H](c1nnnn1-c1c(C)cccc1C)c1ccc(Cl)cc1Cl ZINC000005427871 560585748 /nfs/dbraw/zinc/58/57/48/560585748.db2.gz NHRIJLXZFCYAST-LJQANCHMSA-N 0 0 418.328 4.544 50 0 HJAARN CC(=O)c1cnn(-c2cc(Oc3ccc(C(C)=O)cc3)nc(-c3ccccc3)n2)c1C ZINC000005429167 560586348 /nfs/dbraw/zinc/58/63/48/560586348.db2.gz OZGYIKHMISDXOU-UHFFFAOYSA-N 0 0 412.449 4.835 50 0 HJAARN O=C(NC1CCCCC1)C(=Cc1ccccc1C(F)(F)F)C(=O)NC1CCCCC1 ZINC000003221092 560589776 /nfs/dbraw/zinc/58/97/76/560589776.db2.gz ZGQCZDZBQFJYJZ-UHFFFAOYSA-N 0 0 422.491 4.987 50 0 HJAARN CCc1nc2ccccc2c(C(=O)OCC(=O)c2ccc(Br)cc2)c1C ZINC000003260327 560590888 /nfs/dbraw/zinc/59/08/88/560590888.db2.gz YUUWWUMYNRRITE-UHFFFAOYSA-N 0 0 412.283 4.908 50 0 HJAARN CC(=O)c1ccc(NC(=O)COC(=O)c2c3ccccc3nc3c2CCCCC3)cc1 ZINC000003261859 560590903 /nfs/dbraw/zinc/59/09/03/560590903.db2.gz FBGFEIDSAWKRPT-UHFFFAOYSA-N 0 0 416.477 4.502 50 0 HJAARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccccc2Nc2ccccc2)c1C ZINC000003302706 560591774 /nfs/dbraw/zinc/59/17/74/560591774.db2.gz SBXDTPYLXZCZKJ-UHFFFAOYSA-N 0 0 420.465 4.592 50 0 HJAARN C[C@@H](NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)c1ccccc1 ZINC000003309178 560591902 /nfs/dbraw/zinc/59/19/02/560591902.db2.gz RPRVANAJEAZIEG-MRXNPFEDSA-N 0 0 408.571 4.749 50 0 HJAARN COc1ccccc1NC(=O)[C@@H](C)OC(=O)CSc1cc(Cl)ccc1Cl ZINC000005468239 560592313 /nfs/dbraw/zinc/59/23/13/560592313.db2.gz FDVDDMTWZWPZDB-LLVKDONJSA-N 0 0 414.310 4.665 50 0 HJAARN O=C(OCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1cc2c(s1)CCC2 ZINC000003360341 560593066 /nfs/dbraw/zinc/59/30/66/560593066.db2.gz VUFOIEDFMKFEET-UHFFFAOYSA-N 0 0 408.504 4.559 50 0 HJAARN CCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000003329661 560593347 /nfs/dbraw/zinc/59/33/47/560593347.db2.gz JTNUIADZTLWNAR-UHFFFAOYSA-N 0 0 421.824 4.726 50 0 HJAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C ZINC000003336593 560593419 /nfs/dbraw/zinc/59/34/19/560593419.db2.gz XRHPSIFPBYJDDS-MRXNPFEDSA-N 0 0 420.582 4.850 50 0 HJAARN COc1cccc(-c2nnc(SCCOc3ccc(Cl)cc3Cl)n2C)c1 ZINC000003422608 560594509 /nfs/dbraw/zinc/59/45/09/560594509.db2.gz FNKJMJWEXRACEZ-UHFFFAOYSA-N 0 0 410.326 4.969 50 0 HJAARN CC(C)c1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)cc1 ZINC000005477880 560594789 /nfs/dbraw/zinc/59/47/89/560594789.db2.gz MOVYXAASYHGYPS-UHFFFAOYSA-N 0 0 403.511 4.670 50 0 HJAARN CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(C)c2)o1 ZINC000005478432 560595191 /nfs/dbraw/zinc/59/51/91/560595191.db2.gz GROMEFURSIBVNF-HNNXBMFYSA-N 0 0 409.577 4.989 50 0 HJAARN CCc1nc2ccccc2c(C(=O)OCC(=O)c2cc(C)n([C@@H](C)COC)c2C)c1C ZINC000003373671 560595423 /nfs/dbraw/zinc/59/54/23/560595423.db2.gz FVZUDZZCYWHSSM-INIZCTEOSA-N 0 0 422.525 4.771 50 0 HJAARN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1 ZINC000005481577 560596130 /nfs/dbraw/zinc/59/61/30/560596130.db2.gz RVBVKYOKJDUBIQ-UHFFFAOYSA-N 0 0 409.267 4.606 50 0 HJAARN COc1ccccc1NC(=O)[C@@H](C)n1cnc2sc(C)c(-c3ccccc3)c2c1=O ZINC000005486099 560596223 /nfs/dbraw/zinc/59/62/23/560596223.db2.gz WGFWFUXKWNJGCN-CQSZACIVSA-N 0 0 419.506 4.642 50 0 HJAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)Nc1ccc(F)cc1F)OC(C)(C)CC3 ZINC000004089709 560600873 /nfs/dbraw/zinc/60/08/73/560600873.db2.gz CEENFXJWKVCVCB-UHFFFAOYSA-N 0 0 413.420 4.664 50 0 biogenic HJAARN Cc1ccc(NCc2nc(SCC(=O)Nc3c(C)ccc4ccccc43)n[nH]2)cc1 ZINC000005531968 560606061 /nfs/dbraw/zinc/60/60/61/560606061.db2.gz NXXBFLVFGAKOIP-UHFFFAOYSA-N 0 0 417.538 4.918 50 0 HJAARN O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc(OC(F)F)cc1 ZINC000005559067 560614994 /nfs/dbraw/zinc/61/49/94/560614994.db2.gz KDEMCXPWYYHVFN-UHFFFAOYSA-N 0 0 410.420 4.513 50 0 HJAARN CCOc1ccc(-c2nnc(S[C@@H](C(=O)N3CCCC3)c3ccccc3)o2)cc1 ZINC000005561319 560617903 /nfs/dbraw/zinc/61/79/03/560617903.db2.gz ZKLDZCZFDIZCTE-LJQANCHMSA-N 0 0 409.511 4.591 50 0 HJAARN CCCCn1nc(NC(=O)c2ccccc2OC)c2cc3cc(OC)ccc3nc21 ZINC000005562708 560618802 /nfs/dbraw/zinc/61/88/02/560618802.db2.gz KVZRCANXCHOZOB-UHFFFAOYSA-N 0 0 404.470 4.654 50 0 HJAARN COC(=O)c1sc2[nH]c(C(Cl)=Cc3ccc(SC)cc3)nc(=O)c2c1C ZINC000005071248 560624149 /nfs/dbraw/zinc/62/41/49/560624149.db2.gz QWDFUVGUPOIMEX-WQLSENKSSA-N 0 0 406.916 4.538 50 0 HJAARN COc1ccc(NC(=O)CSc2cc(C)nc3c(-c4ccccc4)c(C)nn32)cc1 ZINC000005577352 560624837 /nfs/dbraw/zinc/62/48/37/560624837.db2.gz JYOGWLADZMMVKH-UHFFFAOYSA-N 0 0 418.522 4.753 50 0 HJAARN O=C(COc1ccc(C2SCCS2)cc1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000005584174 560627791 /nfs/dbraw/zinc/62/77/91/560627791.db2.gz KSEMVOPPQAFBRG-UHFFFAOYSA-N 0 0 411.451 4.504 50 0 HJAARN Fc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 ZINC000005603172 560629557 /nfs/dbraw/zinc/62/95/57/560629557.db2.gz KVRHKXLTAFXWKC-YKSBVNFPSA-N 0 0 402.425 4.839 50 0 HJAARN COc1ccc(C2=NN(C(C)=O)[C@H](c3ccccc3OCc3ccccc3)O2)cc1 ZINC000005631796 560634956 /nfs/dbraw/zinc/63/49/56/560634956.db2.gz AQWLJKQZQOGJMO-DEOSSOPVSA-N 0 0 402.450 4.513 50 0 HJAARN CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3sc(C)nc3C)ccc21 ZINC000005643540 560636137 /nfs/dbraw/zinc/63/61/37/560636137.db2.gz URNFUGGKOVACIH-UHFFFAOYSA-N 0 0 407.495 4.683 50 0 HJAARN Cc1cccc(NC(=O)COc2cc(=O)c3c(O)cc(-c4ccccc4)oc-3c2)c1C ZINC000005648207 560636344 /nfs/dbraw/zinc/63/63/44/560636344.db2.gz YDVFNKSIFGPJSV-UHFFFAOYSA-N 0 0 415.445 4.800 50 0 biogenic HJAARN Cc1ccc(CSc2nc(CC(=O)N3CCN(c4ccccc4)CC3)cs2)cc1 ZINC000008936067 560640544 /nfs/dbraw/zinc/64/05/44/560640544.db2.gz ZUDMAKZDXZHYAK-UHFFFAOYSA-N 0 0 423.607 4.635 50 0 HJAARN COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)CCc2ccccc2)c(OC)c1 ZINC000015953797 560650643 /nfs/dbraw/zinc/65/06/43/560650643.db2.gz LXBRFSSHLGAUPU-UCGXPXSYSA-N 0 0 423.553 4.531 50 0 biogenic HJAARN CCCS(=O)(=O)N1CCCc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000017286829 560705793 /nfs/dbraw/zinc/70/57/93/560705793.db2.gz PAPYNNLLKIXSLH-UHFFFAOYSA-N 0 0 414.571 4.729 50 0 HJAARN CCCCNc1nc2c(cnn2-c2ccccc2)c(Nc2cc(OC)ccc2OC)n1 ZINC000017270456 560706552 /nfs/dbraw/zinc/70/65/52/560706552.db2.gz YLLJCUYMWTZOKK-UHFFFAOYSA-N 0 0 418.501 4.788 50 0 HJAARN CCS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc21 ZINC000017316280 560708386 /nfs/dbraw/zinc/70/83/86/560708386.db2.gz XBJMIGWIJGZATL-UHFFFAOYSA-N 0 0 420.534 4.708 50 0 HJAARN O=C(COc1ccc(Cl)cc1)Nc1ccc(I)cc1Cl ZINC000001217392 560727869 /nfs/dbraw/zinc/72/78/69/560727869.db2.gz IJBJQXPHYWGRLX-UHFFFAOYSA-N 0 0 422.049 4.616 50 0 HJAARN CCc1ccccc1NC(=O)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000003139314 560724906 /nfs/dbraw/zinc/72/49/06/560724906.db2.gz RZLQACCLGAOOKZ-UHFFFAOYSA-N 0 0 417.416 4.686 50 0 HJAARN O=C(CSc1ccc(Cl)cc1)Nc1ccc(I)cc1F ZINC000001069559 560727020 /nfs/dbraw/zinc/72/70/20/560727020.db2.gz HXGZANHZCKSCLG-UHFFFAOYSA-N 0 0 421.662 4.815 50 0 HJAARN CCOc1cc(C(=O)Nc2nc3ccc(F)cc3s2)cc(OCC)c1OCC ZINC000001255960 560727999 /nfs/dbraw/zinc/72/79/99/560727999.db2.gz GOAZHLMCKBAEJR-UHFFFAOYSA-N 0 0 404.463 4.884 50 0 HJAARN C[C@@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000017963081 560732182 /nfs/dbraw/zinc/73/21/82/560732182.db2.gz DZNFHEASHKVEBK-GFCCVEGCSA-N 0 0 411.354 4.785 50 0 HJAARN Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)c3ccc(Cl)c(Cl)c3)ccc12 ZINC000017963064 560732202 /nfs/dbraw/zinc/73/22/02/560732202.db2.gz DHOJOHVIDLVQGP-LBPRGKRZSA-N 0 0 406.265 4.664 50 0 HJAARN COc1ccc(NC(=O)c2cc3ccccc3c(Br)c2OC)c(OC)c1 ZINC000002883409 560732719 /nfs/dbraw/zinc/73/27/19/560732719.db2.gz HDQPLRQXLKPTEG-UHFFFAOYSA-N 0 0 416.271 4.880 50 0 HJAARN COc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000003771893 560734246 /nfs/dbraw/zinc/73/42/46/560734246.db2.gz SPZJCUDCPCSWCA-UHFFFAOYSA-N 0 0 419.428 4.902 50 0 HJAARN CCCCOc1cccc(C(=O)Nc2ccc(I)cc2F)c1 ZINC000004810923 560735918 /nfs/dbraw/zinc/73/59/18/560735918.db2.gz AIJVLMWHGVMFCX-UHFFFAOYSA-N 0 0 413.230 4.862 50 0 HJAARN CCn1c(S[C@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccc(Cl)cc1 ZINC000004814838 560736054 /nfs/dbraw/zinc/73/60/54/560736054.db2.gz LVLPWJYWGGKSMQ-LLVKDONJSA-N 0 0 407.952 4.503 50 0 HJAARN Cc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000018010474 560752385 /nfs/dbraw/zinc/75/23/85/560752385.db2.gz KHHCYVQXMCAFRN-VSKRKVRLSA-N 0 0 418.880 4.700 50 0 HJAARN Cc1csc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3)n2-c2ccccc2)n1 ZINC000009265126 560757672 /nfs/dbraw/zinc/75/76/72/560757672.db2.gz RTHKTNPAOQDTOK-OAHLLOKOSA-N 0 0 421.551 4.819 50 0 HJAARN CC(C)Cn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccncc1 ZINC000009226125 560758026 /nfs/dbraw/zinc/75/80/26/560758026.db2.gz AABKDXGVTUIEDI-UHFFFAOYSA-N 0 0 409.559 4.850 50 0 HJAARN CCOc1cc(/C=C2/N=C(c3ccccc3C)OC2=O)cc(Br)c1OC ZINC000097987587 560758075 /nfs/dbraw/zinc/75/80/75/560758075.db2.gz QWAOIADENKNYGU-MHWRWJLKSA-N 0 0 416.271 4.509 50 0 HJAARN CC(=O)N(c1nc(/C=C2/N=C(c3cccc(C)c3)OC2=O)cs1)c1ccccc1F ZINC000098002328 560759056 /nfs/dbraw/zinc/75/90/56/560759056.db2.gz IZYMUXWMIRJQIS-WOJGMQOQSA-N 0 0 421.453 4.620 50 0 HJAARN Cc1ccc(C(=O)Nc2nc3n(n2)[C@@H](c2ccccc2)CC(c2ccccc2)=N3)cc1 ZINC000101020047 560766689 /nfs/dbraw/zinc/76/66/89/560766689.db2.gz ADKCUORTXGRMET-JOCHJYFZSA-N 0 0 407.477 4.895 50 0 HJAARN Cc1ccc(NC(=O)COC(=O)c2cc(Br)ccc2Cl)c(Cl)c1 ZINC000011481612 560772247 /nfs/dbraw/zinc/77/22/47/560772247.db2.gz RZTJLXBEGFBOIW-UHFFFAOYSA-N 0 0 417.086 4.860 50 0 HJAARN O=C(NCc1ccc(Cl)cc1)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1 ZINC000018095673 560775348 /nfs/dbraw/zinc/77/53/48/560775348.db2.gz BGENHULGTYZWOU-UHFFFAOYSA-N 0 0 408.914 4.834 50 0 HJAARN Fc1cccc(Cl)c1[C@@H]1CC(c2ccc(Br)s2)=Nc2ncnn21 ZINC000101089841 560776143 /nfs/dbraw/zinc/77/61/43/560776143.db2.gz FYJRTMCAOGNENE-NSHDSACASA-N 0 0 411.687 4.951 50 0 HJAARN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Nc1ccc(Cl)cc1 ZINC000018174583 560781328 /nfs/dbraw/zinc/78/13/28/560781328.db2.gz FPWJWKXVLMHKHQ-UHFFFAOYSA-N 0 0 410.699 4.513 50 0 HJAARN COc1ccc(CNC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)cc1 ZINC000005680865 560781367 /nfs/dbraw/zinc/78/13/67/560781367.db2.gz PJLLGEHHKWORLL-UHFFFAOYSA-N 0 0 407.322 4.984 50 0 HJAARN CC(C)Oc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCC2)cc1 ZINC000005690080 560785041 /nfs/dbraw/zinc/78/50/41/560785041.db2.gz XHKLKSQZJRXRFJ-IBGZPJMESA-N 0 0 401.532 4.893 50 0 HJAARN CCN(Cc1ccccc1)C(=O)CN1c2ccccc2N=C(c2ccccc2)CC1=O ZINC000101354205 560792259 /nfs/dbraw/zinc/79/22/59/560792259.db2.gz HWQYWRWWMMAVPZ-UHFFFAOYSA-N 0 0 411.505 4.593 50 0 HJAARN O=C(CN1c2ccccc2N=C(c2ccccc2)CC1=O)Nc1ccc(Cl)cc1F ZINC000101354199 560792276 /nfs/dbraw/zinc/79/22/76/560792276.db2.gz VNRZIAHXJAOTAV-UHFFFAOYSA-N 0 0 421.859 4.975 50 0 HJAARN CC(C)[C@@H](NC(=O)c1cccs1)c1nc(-c2ccc(Br)cc2)no1 ZINC000101718423 560798641 /nfs/dbraw/zinc/79/86/41/560798641.db2.gz 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CCc1cccc(NC(=O)CN2c3ccccc3N=C(c3ccc(F)cc3)CC2=O)c1 ZINC000102529705 560813029 /nfs/dbraw/zinc/81/30/29/560813029.db2.gz FZULJKYXZLBIOU-UHFFFAOYSA-N 0 0 415.468 4.884 50 0 HJAARN Cc1cccc(NC(=O)CN2c3ccccc3N=C(c3ccc(F)cc3)CC2=O)c1 ZINC000102529673 560813075 /nfs/dbraw/zinc/81/30/75/560813075.db2.gz SFUOBFAORSBTHH-UHFFFAOYSA-N 0 0 401.441 4.630 50 0 HJAARN O=C(CN1c2ccccc2N=C(c2ccc(Cl)cc2)CC1=O)Nc1ccc(F)cc1 ZINC000102530572 560813262 /nfs/dbraw/zinc/81/32/62/560813262.db2.gz SRQKCKDMHKBKDO-UHFFFAOYSA-N 0 0 421.859 4.975 50 0 HJAARN C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000102528151 560816503 /nfs/dbraw/zinc/81/65/03/560816503.db2.gz IDPCCKQDLIQGNE-KKUMJFAQSA-N 0 0 402.539 4.689 50 0 HJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102663106 560819405 /nfs/dbraw/zinc/81/94/05/560819405.db2.gz YTAVVOCPAQPSIP-PWRODBHTSA-N 0 0 422.843 4.530 50 0 HJAARN C[C@]12C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000102701767 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O=C(Nc1ccccc1SCc1ccsc1)N1CCN(Cc2ccncc2)CC1 ZINC000040104272 568617062 /nfs/dbraw/zinc/61/70/62/568617062.db2.gz KAERYNUINRCBCN-UHFFFAOYSA-N 0 0 424.595 4.785 50 0 HJAARN COc1ccc(Br)c(C(=O)N[C@](C)(c2ccccc2)C(F)(F)F)c1 ZINC000095457255 568618337 /nfs/dbraw/zinc/61/83/37/568618337.db2.gz KHUPHXOKSGJGEQ-MRXNPFEDSA-N 0 0 402.210 4.665 50 0 HJAARN Cc1c(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)oc2c1C(=O)CCC2 ZINC000040129437 568621349 /nfs/dbraw/zinc/62/13/49/568621349.db2.gz QFFDQBWLWAPIJQ-MRXNPFEDSA-N 0 0 416.477 4.850 50 0 HJAARN C[C@H](c1nc2ccccc2o1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000095465887 568623972 /nfs/dbraw/zinc/62/39/72/568623972.db2.gz NBHFTRJDQLSCMC-CYBMUJFWSA-N 0 0 404.297 4.654 50 0 HJAARN COc1ccc(SC)c(OC)c1C(=O)Nc1ccc(OC(F)F)c2ncccc12 ZINC000095468155 568625090 /nfs/dbraw/zinc/62/50/90/568625090.db2.gz ZNURNSCRRWLFDM-UHFFFAOYSA-N 0 0 420.437 4.828 50 0 HJAARN Cc1ccc(NC(=O)Cn2c(SCc3cccc(F)c3)nc3cccnc32)cc1F ZINC000020532382 568628158 /nfs/dbraw/zinc/62/81/58/568628158.db2.gz 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Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1CNc1ccc(C(N)=O)cc1 ZINC000225498078 568643671 /nfs/dbraw/zinc/64/36/71/568643671.db2.gz ZIIVUFYGSAVXOO-UHFFFAOYSA-N 0 0 423.731 4.911 50 0 HJAARN COc1ccc(OC)c(Nc2nc3ccc(Cl)cc3nc2-n2nc(C)cc2C)c1 ZINC000020852095 568644967 /nfs/dbraw/zinc/64/49/67/568644967.db2.gz PLZSINCHZNMEGP-UHFFFAOYSA-N 0 0 409.877 4.847 50 0 HJAARN O=C(N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1)c1ccc(Br)o1 ZINC000020854441 568645470 /nfs/dbraw/zinc/64/54/70/568645470.db2.gz ILXBAKMFFVQPBS-QGZVFWFLSA-N 0 0 424.254 4.612 50 0 HJAARN Cc1ccc(N2CCN(c3nnc(Cc4ccncc4)c4ccccc43)C[C@H]2C)cc1 ZINC000020859972 568645900 /nfs/dbraw/zinc/64/59/00/568645900.db2.gz FCVJYRXOVHZILY-HXUWFJFHSA-N 0 0 409.537 4.639 50 0 HJAARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1C(F)(F)F)SCC(=O)N2 ZINC000020892519 568648164 /nfs/dbraw/zinc/64/81/64/568648164.db2.gz FBPCKZOFZPXZDC-GOSISDBHSA-N 0 0 403.429 4.974 50 0 HJAARN COc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)cc1 ZINC000020898914 568649585 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/nfs/dbraw/zinc/65/99/52/568659952.db2.gz GZFCHXWBMRNKGD-UHFFFAOYSA-N 0 0 419.323 4.742 50 0 HJAARN CC(=O)N1N=C(c2ccc(C)o2)O[C@@H]1c1cccc(NC(=O)c2cccc(Cl)c2)c1 ZINC000021092643 568664341 /nfs/dbraw/zinc/66/43/41/568664341.db2.gz CGSLPSYSCXBJJM-JOCHJYFZSA-N 0 0 423.856 4.733 50 0 HJAARN CC[C@H](NC(=O)CCc1cc(F)ccc1F)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000095972125 568671852 /nfs/dbraw/zinc/67/18/52/568671852.db2.gz RHXKEAVOIKSFSB-PKOBYXMFSA-N 0 0 401.375 4.545 50 0 HJAARN CCc1cccc(C)c1Nc1nn2c(nc3ccc(Br)cc3c2=O)s1 ZINC000021151921 568672586 /nfs/dbraw/zinc/67/25/86/568672586.db2.gz DBPWDQPZTLPVIY-UHFFFAOYSA-N 0 0 415.316 4.681 50 0 HJAARN O=C(Nc1ccccc1Cl)Nc1ccccc1OCc1cc(=O)n2ccccc2n1 ZINC000021156591 568673802 /nfs/dbraw/zinc/67/38/02/568673802.db2.gz MLDKLCNXQSLFOV-UHFFFAOYSA-N 0 0 420.856 4.571 50 0 HJAARN Cc1c(C(=O)Nc2cc(F)c(Br)c(F)c2)cnn1-c1ccccc1F ZINC000095984311 568675953 /nfs/dbraw/zinc/67/59/53/568675953.db2.gz JXJGRKATNORNDT-UHFFFAOYSA-N 0 0 410.193 4.613 50 0 HJAARN CCOc1ccc(-n2c(C)nnc2SCc2nc(-c3ccccc3C)no2)cc1 ZINC000021168830 568676059 /nfs/dbraw/zinc/67/60/59/568676059.db2.gz YLVQITVRHQHQMQ-UHFFFAOYSA-N 0 0 407.499 4.625 50 0 HJAARN CCCN1c2ccccc2[C@H](Cc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)C1=O ZINC000021169390 568676170 /nfs/dbraw/zinc/67/61/70/568676170.db2.gz QHXPCSYCLSHQIK-QFIPXVFZSA-N 0 0 423.516 4.777 50 0 HJAARN C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)[C@H]1CCn2c(cnc2-c2ccccc2)C1 ZINC000095993256 568678051 /nfs/dbraw/zinc/67/80/51/568678051.db2.gz MPJGXYSYXJGQDJ-RDJZCZTQSA-N 0 0 407.464 4.537 50 0 HJAARN Cn1cc(CCC(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)c2ccccc21 ZINC000096008118 568683505 /nfs/dbraw/zinc/68/35/05/568683505.db2.gz PVGSJFWJTJQDSB-NRFANRHFSA-N 0 0 416.443 4.730 50 0 HJAARN Cc1ccc(NC(=O)CN2CCC(c3nnc(-c4ccsc4)o3)CC2)cc1Cl ZINC000096024414 568686017 /nfs/dbraw/zinc/68/60/17/568686017.db2.gz NSNJCIWVBNLJQN-UHFFFAOYSA-N 0 0 416.934 4.578 50 0 HJAARN Cc1ccc(S(=O)(=O)Nc2ccccc2CCc2nc3ccccc3n2C)cc1C ZINC000021357083 568688449 /nfs/dbraw/zinc/68/84/49/568688449.db2.gz RPYUEBXJMJISDP-UHFFFAOYSA-N 0 0 419.550 4.776 50 0 HJAARN O=C(c1ccc(-n2cccc2)cc1)N1CCC(c2nnc(-c3ccsc3)o2)CC1 ZINC000096096576 568689088 /nfs/dbraw/zinc/68/90/88/568689088.db2.gz YLJOJINYKIMUQD-UHFFFAOYSA-N 0 0 404.495 4.609 50 0 HJAARN CC[C@H]1CCCCN1C(=O)COC(=O)/C(=C\c1cccc(OC)c1)c1ccccc1 ZINC000096113641 568693348 /nfs/dbraw/zinc/69/33/48/568693348.db2.gz MRSACZXPGMDMCO-BAVLMPOVSA-N 0 0 407.510 4.570 50 0 HJAARN COc1ccc(OC)c(-n2c(=O)c3ccc[nH]c-3c2Nc2cc(Cl)ccc2C)c1 ZINC000021105625 568694461 /nfs/dbraw/zinc/69/44/61/568694461.db2.gz YYYRYTSABUTCGR-OAQYLSRUSA-N 0 0 409.873 4.832 50 0 HJAARN COc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)[C@H](c1ccsc1)CC(=O)O2 ZINC000096116137 568695586 /nfs/dbraw/zinc/69/55/86/568695586.db2.gz XPVCUKONZALYME-HNNXBMFYSA-N 0 0 404.443 4.971 50 0 biogenic HJAARN CC(C)c1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cc1 ZINC000096117052 568696379 /nfs/dbraw/zinc/69/63/79/568696379.db2.gz NLNFFYWVWMJXFG-LPHOPBHVSA-N 0 0 415.559 4.617 50 0 HJAARN COc1ccc(C2=NN(C(C)=O)[C@@H](c3cccc4cccc(OC)c43)C2)c(OC)c1 ZINC000096118939 568698506 /nfs/dbraw/zinc/69/85/06/568698506.db2.gz BCCZSPJVICYOBD-OAQYLSRUSA-N 0 0 404.466 4.563 50 0 HJAARN O=C(NCCCn1c2ncccc2nc1C(F)(F)F)Nc1ccc2ccccc2c1 ZINC000096124739 568701110 /nfs/dbraw/zinc/70/11/10/568701110.db2.gz SNIUHPKIMQNBPS-UHFFFAOYSA-N 0 0 413.403 4.815 50 0 HJAARN COc1ccc(C)cc1NC(=O)N1CC[C@@H](Cc2nc3cccnc3n2CC(C)C)C1 ZINC000096124998 568701118 /nfs/dbraw/zinc/70/11/18/568701118.db2.gz FHYLFOCXWVEWOX-SFHVURJKSA-N 0 0 421.545 4.501 50 0 HJAARN CCOC(=O)/C=C\c1ccc(NC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2C)cc1 ZINC000096128273 568701693 /nfs/dbraw/zinc/70/16/93/568701693.db2.gz MVMWVTZDTZDYHP-QINSGFPZSA-N 0 0 417.509 4.685 50 0 HJAARN CCOC(=O)/C=C\c1ccc(NC(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000096130057 568701819 /nfs/dbraw/zinc/70/18/19/568701819.db2.gz ZNNDXNBQTOPXRD-XEGHISHKSA-N 0 0 424.497 4.649 50 0 HJAARN O=C(/C=C\c1ccc(Br)cc1)NCc1ccc(N2CCCCCC2)nc1 ZINC000096130120 568701849 /nfs/dbraw/zinc/70/18/49/568701849.db2.gz LYISVBLITVBBAC-WQLSENKSSA-N 0 0 414.347 4.554 50 0 HJAARN COc1ccccc1C(=O)N1CCN([C@@H](c2ccccc2)c2cc(C)ccc2C)CC1 ZINC000096183768 568703058 /nfs/dbraw/zinc/70/30/58/568703058.db2.gz QNSBKAKYRHZJFS-SANMLTNESA-N 0 0 414.549 4.859 50 0 HJAARN CC(C)[C@H](NC(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1)c1nc2ccccc2[nH]1 ZINC000096224218 568706554 /nfs/dbraw/zinc/70/65/54/568706554.db2.gz KKBHLTLPGRRCIA-INIZCTEOSA-N 0 0 401.392 4.585 50 0 HJAARN Cn1c2ccccc2nc1C1CCN(C(=O)CC2(n3cccc3)CCCCC2)CC1 ZINC000096231563 568707275 /nfs/dbraw/zinc/70/72/75/568707275.db2.gz REEVIYRNONIQHR-UHFFFAOYSA-N 0 0 404.558 4.831 50 0 HJAARN Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1ccccc1OC(C)C)SCC(=O)N2 ZINC000021523898 568708894 /nfs/dbraw/zinc/70/88/94/568708894.db2.gz XYAAKZOEXXFTFI-OAQYLSRUSA-N 0 0 411.502 4.882 50 0 HJAARN CC(C)[C@@H](NC(=O)c1ccco1)c1nc(-c2ccc(N3CCC(C)CC3)cc2)no1 ZINC000021534011 568711622 /nfs/dbraw/zinc/71/16/22/568711622.db2.gz UCMKWZYZLPZLST-HXUWFJFHSA-N 0 0 408.502 4.693 50 0 HJAARN CCC(CC)C(=O)Nc1ccccc1SCc1cc(=O)n2cc(C)sc2n1 ZINC000021535948 568712200 /nfs/dbraw/zinc/71/22/00/568712200.db2.gz FDADVFQPEUZDQX-UHFFFAOYSA-N 0 0 401.557 4.731 50 0 HJAARN Cc1cc(OCC(=O)Nc2ccc(I)cc2C)ccc1Cl ZINC000000851411 568712353 /nfs/dbraw/zinc/71/23/53/568712353.db2.gz AVXSADKWGVSWAZ-UHFFFAOYSA-N 0 0 415.658 4.579 50 0 HJAARN CN(Cc1ccco1)C(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021538065 568713048 /nfs/dbraw/zinc/71/30/48/568713048.db2.gz TZRCBQLTMXWSBP-UHFFFAOYSA-N 0 0 403.482 4.927 50 0 HJAARN Cc1noc(C)c1[C@H](C)C(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000229344697 568714038 /nfs/dbraw/zinc/71/40/38/568714038.db2.gz FGESCXLLCXDJMD-NARAOEGZSA-N 0 0 412.530 4.977 50 0 HJAARN CCOC(=O)c1ccc(NC(=S)Nc2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000012411080 568714652 /nfs/dbraw/zinc/71/46/52/568714652.db2.gz PIGVSXXGLYNCBF-UHFFFAOYSA-N 0 0 400.891 4.716 50 0 HJAARN CC[C@H](C)[C@H](NC(=O)COCc1ccccc1)c1nc(-c2cccc(Cl)c2)no1 ZINC000096276146 568715130 /nfs/dbraw/zinc/71/51/30/568715130.db2.gz VFLSQFSOYWHDLQ-YWZLYKJASA-N 0 0 413.905 4.810 50 0 HJAARN Cc1ccc(-c2noc(CCN(Cc3ccco3)C(=O)c3cccc(F)c3)n2)cc1 ZINC000096277435 568716105 /nfs/dbraw/zinc/71/61/05/568716105.db2.gz YZDWJMPAEFHTFJ-UHFFFAOYSA-N 0 0 405.429 4.662 50 0 HJAARN COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cc(OC)ccc2OC)c1 ZINC000230125986 568716580 /nfs/dbraw/zinc/71/65/80/568716580.db2.gz YYLLTXNKPGOKJC-DHLKQENFSA-N 0 0 416.477 4.955 50 0 HJAARN O=C(NC1CC1)c1cc2sc(Br)cc2n1Cc1ccc(F)cc1F ZINC000096280372 568717995 /nfs/dbraw/zinc/71/79/95/568717995.db2.gz DBEOLRBQDHCPGJ-UHFFFAOYSA-N 0 0 411.271 4.684 50 0 HJAARN CCC(=O)N1CCc2ccc(O[C@@H](CC)C(=O)NC(C)C)cc2[C@H]1c1cccc(C)c1 ZINC000096281606 568718965 /nfs/dbraw/zinc/71/89/65/568718965.db2.gz RRCJVJDBHJVEPC-UKILVPOCSA-N 0 0 422.569 4.561 50 0 HJAARN Cc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(Cl)cc1Cl ZINC000000862781 568719005 /nfs/dbraw/zinc/71/90/05/568719005.db2.gz LNQWFMCSCYHTPX-QGZVFWFLSA-N 0 0 406.338 4.733 50 0 HJAARN C[C@@H](C(=O)NC1CC1)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000096290435 568720348 /nfs/dbraw/zinc/72/03/48/568720348.db2.gz WDMRDAPEGLRYIR-NSHDSACASA-N 0 0 406.288 4.913 50 0 HJAARN COc1ccc(-n2c(SCc3ccccc3C(=O)NC3CC3)nnc2C(C)C)cc1 ZINC000096290705 568720373 /nfs/dbraw/zinc/72/03/73/568720373.db2.gz CJOFAOOTSCSQLM-UHFFFAOYSA-N 0 0 422.554 4.584 50 0 HJAARN COc1ccc(-c2noc([C@H](NC(=O)c3ccccc3Cl)C(C)C)n2)cc1OC ZINC000096292994 568721333 /nfs/dbraw/zinc/72/13/33/568721333.db2.gz CRDDRDFHVISYQU-GOSISDBHSA-N 0 0 415.877 4.534 50 0 HJAARN CC[C@H](C)N(CCc1nc(-c2cccc(OC)c2)no1)C(=O)CCc1ccccc1 ZINC000096293465 568721810 /nfs/dbraw/zinc/72/18/10/568721810.db2.gz ODSBARZZXYYLAK-SFHVURJKSA-N 0 0 407.514 4.548 50 0 HJAARN CCOC(=O)C[C@H]1CCCCN1C(=O)c1ccc2nc(Cc3ccccc3F)oc2c1 ZINC000012432211 568722346 /nfs/dbraw/zinc/72/23/46/568722346.db2.gz ZYIAHCGFJMUYMD-GOSISDBHSA-N 0 0 424.472 4.506 50 0 HJAARN O=C(NCc1cccs1)c1cnn2c1N[C@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F ZINC000000866041 568723380 /nfs/dbraw/zinc/72/33/80/568723380.db2.gz BMVFJJVQORPHOM-JKSUJKDBSA-N 0 0 424.423 4.674 50 0 HJAARN O=C(NCc1ccccc1)c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F ZINC000000866025 568723392 /nfs/dbraw/zinc/72/33/92/568723392.db2.gz XIWGMBNNSMJNOY-MSOLQXFVSA-N 0 0 418.394 4.613 50 0 HJAARN CCOc1ccccc1C(=O)Nc1cc(-c2cn3nc(OC)ccc3n2)ccc1Cl ZINC000012441268 568724273 /nfs/dbraw/zinc/72/42/73/568724273.db2.gz PCBYUMNSAXMGKQ-UHFFFAOYSA-N 0 0 422.872 4.709 50 0 HJAARN Cc1cc(NC(=O)[C@H](C)Oc2ccccc2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 ZINC000012442026 568724587 /nfs/dbraw/zinc/72/45/87/568724587.db2.gz SLECFKUIJDLTKB-HNNXBMFYSA-N 0 0 422.485 4.849 50 0 HJAARN COc1cc(C(=O)Nc2sc(SC)nc2-c2ccccc2)cc(OC)c1OC ZINC000012442797 568724859 /nfs/dbraw/zinc/72/48/59/568724859.db2.gz ZMBWQSOHGILJGE-UHFFFAOYSA-N 0 0 416.524 4.810 50 0 HJAARN COc1ccc(/C=C\C(=O)Nc2ccc(Sc3nccn3C)cc2C)c(OC)c1 ZINC000096315844 568725658 /nfs/dbraw/zinc/72/56/58/568725658.db2.gz ZIHIQCBZRMAQTB-POHAHGRESA-N 0 0 409.511 4.549 50 0 HJAARN C[C@@H]1CC[C@@H]2C(=O)N(CNc3ccc(Oc4ccc5ccccc5c4)cc3)C(=O)[C@H]2C1 ZINC000239025600 568727764 /nfs/dbraw/zinc/72/77/64/568727764.db2.gz BWLZDFWYWRTESW-CQLNOVPUSA-N 0 0 414.505 5.423 50 0 HJAARN O=C(c1ccc(-c2noc(C(F)F)n2)cc1)N1CCc2ccc(Br)cc21 ZINC000239654211 568729684 /nfs/dbraw/zinc/72/96/84/568729684.db2.gz BMWXUFFOIGMWRA-UHFFFAOYSA-N 0 0 420.213 4.640 50 0 HJAARN CC(C)(C)c1ccc([C@H](O)CCC(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000239782409 568730038 /nfs/dbraw/zinc/73/00/38/568730038.db2.gz COHHWSTVLSYJBA-FGZHOGPDSA-N 0 0 423.553 4.933 50 0 HJAARN COc1ccc([C@H]2CC(c3cccc(C)c3)=NN2C(=S)Nc2ccccc2)cc1 ZINC000241644639 568731493 /nfs/dbraw/zinc/73/14/93/568731493.db2.gz PSJWUWNJLXXADT-HSZRJFAPSA-N 0 0 401.535 5.552 50 0 HJAARN COC(=O)c1sc(N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)nc1Cl ZINC000241946732 568731991 /nfs/dbraw/zinc/73/19/91/568731991.db2.gz UNLJLFFNASQVSU-SKDRFNHKSA-N 0 0 420.840 4.568 50 0 HJAARN CCOc1ccccc1CNC(=O)Cn1cccc1-c1nc(-c2ccccc2)cs1 ZINC000021656673 568732469 /nfs/dbraw/zinc/73/24/69/568732469.db2.gz ZAYZWGXZEKPINE-UHFFFAOYSA-N 0 0 417.534 4.994 50 0 HJAARN Cc1cccc(NC(=O)N2CCc3c(sc4nc(-c5ccc(F)cc5)nn43)C2)c1C ZINC000096323813 568732903 /nfs/dbraw/zinc/73/29/03/568732903.db2.gz NAZFNSIRJPBOJY-UHFFFAOYSA-N 0 0 421.501 4.804 50 0 HJAARN CC[C@@H](Sc1nnc2c3ccccc3[nH]c2n1)C(=O)Nc1nc2ccccc2s1 ZINC000000877519 568733614 /nfs/dbraw/zinc/73/36/14/568733614.db2.gz NDWVHUDCODYLFC-CQSZACIVSA-N 0 0 420.523 4.625 50 0 HJAARN O=C1N(Cc2ccc(F)cc2)c2ccccc2S(=O)(=O)N1c1cccc(Cl)c1 ZINC000021661396 568736144 /nfs/dbraw/zinc/73/61/44/568736144.db2.gz RDVYDDDDZNFZIU-UHFFFAOYSA-N 0 0 416.861 4.815 50 0 HJAARN CC(=O)Nc1ccc(-c2cc(C(=O)NCc3cccc(F)c3)c3ccccc3n2)cc1 ZINC000021662914 568736281 /nfs/dbraw/zinc/73/62/81/568736281.db2.gz VGSPDIXIDNLDHU-UHFFFAOYSA-N 0 0 413.452 4.929 50 0 HJAARN CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccccc2F)C12CCCC2 ZINC000096344491 568737319 /nfs/dbraw/zinc/73/73/19/568737319.db2.gz AXOHEYCOBNFKRL-QFIPXVFZSA-N 0 0 408.517 4.794 50 0 HJAARN Cc1cc(C)cc(C(=O)N(C)CCc2noc(-c3cc4cc(Cl)ccc4[nH]3)n2)c1 ZINC000096349868 568738480 /nfs/dbraw/zinc/73/84/80/568738480.db2.gz TYFHPOINDANDIT-UHFFFAOYSA-N 0 0 408.889 4.803 50 0 HJAARN COc1cccc(-c2cc(C3CCN(C(=O)Nc4cccc(C(C)=O)c4)CC3)[nH]n2)c1 ZINC000096386828 568743566 /nfs/dbraw/zinc/74/35/66/568743566.db2.gz DZOSBEOCXZBQKV-UHFFFAOYSA-N 0 0 418.497 4.699 50 0 HJAARN COc1cccc(NC(=O)N2CCC(c3cc(-c4cccc(OC)c4)n[nH]3)CC2)c1 ZINC000096386803 568743591 /nfs/dbraw/zinc/74/35/91/568743591.db2.gz AWZSFDABIXPASS-UHFFFAOYSA-N 0 0 406.486 4.505 50 0 HJAARN Cc1oc2ccn(Cc3cccc(F)c3)c(=O)c2c1C(=O)N[C@H](C)c1ccccc1 ZINC000096396495 568744967 /nfs/dbraw/zinc/74/49/67/568744967.db2.gz WOPNGUTYOSCAFR-OAHLLOKOSA-N 0 0 404.441 4.581 50 0 HJAARN Cc1cnn(Cc2nc(-c3ccc(NC(=O)Cc4ccc(C)cc4)cc3)oc2C)c1 ZINC000096397248 568745952 /nfs/dbraw/zinc/74/59/52/568745952.db2.gz NIQWLCYDOQUWIK-UHFFFAOYSA-N 0 0 400.482 4.693 50 0 HJAARN Cc1oc(-c2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)nc1Cn1cccn1 ZINC000096397215 568745975 /nfs/dbraw/zinc/74/59/75/568745975.db2.gz INFGIRRDVJKBSL-UHFFFAOYSA-N 0 0 410.836 4.940 50 0 HJAARN Cc1cnn(Cc2nc(-c3ccc(NC(=O)CCc4ccccc4)cc3)oc2C)c1 ZINC000096397282 568746108 /nfs/dbraw/zinc/74/61/08/568746108.db2.gz QZNLQIKYUUBEGR-UHFFFAOYSA-N 0 0 400.482 4.775 50 0 HJAARN Cc1cnn(Cc2nc(-c3ccc(NC(=O)c4c(F)cccc4F)cc3)oc2C)c1 ZINC000096397272 568746119 /nfs/dbraw/zinc/74/61/19/568746119.db2.gz VOWAEANTDNNOAN-UHFFFAOYSA-N 0 0 408.408 4.734 50 0 HJAARN CCn1c(-c2cc(NC(=O)COc3ccc(Cl)cc3)n[nH]2)cc2cc(OC)ccc21 ZINC000096398591 568747434 /nfs/dbraw/zinc/74/74/34/568747434.db2.gz QZRAVAQXBMCNKC-UHFFFAOYSA-N 0 0 424.888 4.731 50 0 HJAARN Clc1cccc(-c2noc3ncnc(N(Cc4ccco4)C[C@@H]4CCCO4)c32)c1 ZINC000021714507 568748666 /nfs/dbraw/zinc/74/86/66/568748666.db2.gz XBWWUDMDBVDAFA-KRWDZBQOSA-N 0 0 410.861 4.717 50 0 HJAARN CCCc1nc(-c2c(C)cc(C)nc2NC(=O)c2cccc(Br)c2)no1 ZINC000096400063 568749251 /nfs/dbraw/zinc/74/92/51/568749251.db2.gz IUWVWSNWBQUVAV-UHFFFAOYSA-N 0 0 415.291 4.716 50 0 HJAARN 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CN(C(=O)COC(=O)CSc1ccc(Cl)c(Cl)c1Cl)c1ccccc1 ZINC000003265822 568869683 /nfs/dbraw/zinc/86/96/83/568869683.db2.gz YHLUAJNHGVHFJM-UHFFFAOYSA-N 0 0 418.729 4.945 50 0 HJAARN CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000003264708 568869770 /nfs/dbraw/zinc/86/97/70/568869770.db2.gz MIJGTESXPGIVLF-GOSISDBHSA-N 0 0 401.462 4.592 50 0 HJAARN O=C(NCc1ccccc1)C(=Cc1cccc2ccccc12)C(=O)NCc1ccccc1 ZINC000003275829 568870900 /nfs/dbraw/zinc/87/09/00/568870900.db2.gz IARXACQZTCYOIM-UHFFFAOYSA-N 0 0 420.512 4.856 50 0 HJAARN CN(C)[C@H](Cc1cc(F)cc2c1O[C@H](c1ccccc1)OC2)C(=O)c1ccccc1 ZINC000003282636 568871937 /nfs/dbraw/zinc/87/19/37/568871937.db2.gz DVTRUXYSKRGOTE-RCZVLFRGSA-N 0 0 405.469 4.789 50 0 HJAARN CCCc1ccc(-c2nc(NC(=O)c3cnc4ccc(C)cn4c3=O)sc2C)cc1 ZINC000030576052 568872203 /nfs/dbraw/zinc/87/22/03/568872203.db2.gz AGWCOYTWVIIPTM-UHFFFAOYSA-N 0 0 418.522 4.640 50 0 HJAARN O=C(COC(=O)CSc1ccc2ccccc2c1)Nc1ccccc1OC(F)F ZINC000003294548 568874497 /nfs/dbraw/zinc/87/44/97/568874497.db2.gz KVVUVHBIZBMFDX-UHFFFAOYSA-N 0 0 417.433 4.715 50 0 HJAARN COC(=O)c1cccc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)c1 ZINC000058011260 568875914 /nfs/dbraw/zinc/87/59/14/568875914.db2.gz IXBRVUCKQBXCQZ-UHFFFAOYSA-N 0 0 419.462 4.554 50 0 HJAARN Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc32)c(C)c1 ZINC000003301605 568876521 /nfs/dbraw/zinc/87/65/21/568876521.db2.gz JPEZNKYZUIFJGK-UHFFFAOYSA-N 0 0 400.434 4.907 50 0 HJAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(Oc2ccccc2)c1 ZINC000003302089 568876776 /nfs/dbraw/zinc/87/67/76/568876776.db2.gz UGFPHQMBLQFTHY-UHFFFAOYSA-N 0 0 422.506 4.516 50 0 HJAARN CSc1nc2ccc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)cc2s1 ZINC000003306489 568877515 /nfs/dbraw/zinc/87/75/15/568877515.db2.gz IMBXJPBNAZHZCY-MRXNPFEDSA-N 0 0 400.525 4.828 50 0 HJAARN C[C@]1(c2cccc3ccccc32)NC(=O)N(Cc2ccc(Br)cc2)C1=O ZINC000012622844 568877613 /nfs/dbraw/zinc/87/76/13/568877613.db2.gz MZOAXQIFLUDNDX-OAQYLSRUSA-N 0 0 409.283 4.570 50 0 HJAARN O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc21)Nc1ccccc1F ZINC000003313947 568878893 /nfs/dbraw/zinc/87/88/93/568878893.db2.gz CPNBROKNMONWAW-UHFFFAOYSA-N 0 0 400.409 4.836 50 0 HJAARN CCOc1ccc(NC(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)cc1 ZINC000004046695 568880324 /nfs/dbraw/zinc/88/03/24/568880324.db2.gz RYYUUEOKTKFKGT-UHFFFAOYSA-N 0 0 415.445 4.876 50 0 biogenic HJAARN CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1C ZINC000003322472 568880583 /nfs/dbraw/zinc/88/05/83/568880583.db2.gz OLPNMESFPFPLSB-UHFFFAOYSA-N 0 0 417.676 4.590 50 0 HJAARN O=C(COC(=O)c1cc(Cl)ccc1Cl)NCCc1ccc(Cl)cc1Cl ZINC000003325856 568881146 /nfs/dbraw/zinc/88/11/46/568881146.db2.gz GBKNBZILZWBDKW-UHFFFAOYSA-N 0 0 421.107 4.816 50 0 HJAARN CCCCSc1nnc(Cn2c3ccccc3sc2=O)n1-c1ccccc1C ZINC000004062263 568881605 /nfs/dbraw/zinc/88/16/05/568881605.db2.gz LMIVCXRBWZVVLS-UHFFFAOYSA-N 0 0 410.568 4.893 50 0 HJAARN CCOC(=O)c1c(NC(=O)c2ccc(Br)s2)sc2c1CCCC2 ZINC000004070207 568881979 /nfs/dbraw/zinc/88/19/79/568881979.db2.gz DHBVGBOUNQSBTJ-UHFFFAOYSA-N 0 0 414.346 4.880 50 0 HJAARN CCOc1cc(C(=O)Nc2ccc(F)cc2Cl)cc(Br)c1OC ZINC000003330874 568882070 /nfs/dbraw/zinc/88/20/70/568882070.db2.gz AWHIKKGBECPOOT-UHFFFAOYSA-N 0 0 402.647 4.901 50 0 HJAARN COc1ccc(C)cc1NC(=O)[C@H](Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000003332675 568882213 /nfs/dbraw/zinc/88/22/13/568882213.db2.gz LICQMFPOSRUHQC-HSZRJFAPSA-N 0 0 404.466 4.567 50 0 HJAARN O=C(CSc1nnc(-c2ccccc2Br)o1)c1cc(F)ccc1F ZINC000003332755 568882259 /nfs/dbraw/zinc/88/22/59/568882259.db2.gz KEBHUGLSNUJZBG-UHFFFAOYSA-N 0 0 411.227 4.752 50 0 HJAARN O=C(Cc1ccc(Cl)c(Cl)c1)OCc1cc(=O)n2c3ccccc3sc2n1 ZINC000003332386 568882322 /nfs/dbraw/zinc/88/23/22/568882322.db2.gz PBQDIZJEHNLVNI-UHFFFAOYSA-N 0 0 419.289 4.502 50 0 HJAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc(C(C)C)cc2)C(=O)[C@]31C ZINC000004073172 568882409 /nfs/dbraw/zinc/88/24/09/568882409.db2.gz WSXBDEKZOXTDKB-DEOSSOPVSA-N 0 0 403.482 4.540 50 0 biogenic HJAARN Cc1ccccc1NC(=O)CNc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1 ZINC000058079340 568883554 /nfs/dbraw/zinc/88/35/54/568883554.db2.gz YHVDPLDVGMAGNW-UHFFFAOYSA-N 0 0 419.912 4.788 50 0 HJAARN Cc1cc(C)cc(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c1 ZINC000003341160 568883643 /nfs/dbraw/zinc/88/36/43/568883643.db2.gz UAJUEKYJHDKOJX-UHFFFAOYSA-N 0 0 420.534 4.697 50 0 HJAARN O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccccc1N1CCCC1 ZINC000012636736 568883904 /nfs/dbraw/zinc/88/39/04/568883904.db2.gz XYANSENSEKTCMF-VWLOTQADSA-N 0 0 417.578 4.935 50 0 HJAARN Cc1cccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000015391047 568884853 /nfs/dbraw/zinc/88/48/53/568884853.db2.gz RPWBFPDHMXEMAT-SFHVURJKSA-N 0 0 420.962 4.529 50 0 HJAARN Cc1ccc(C)c(C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)c1 ZINC000003352665 568885965 /nfs/dbraw/zinc/88/59/65/568885965.db2.gz KOTVEECNJHYNNA-UHFFFAOYSA-N 0 0 414.534 4.980 50 0 HJAARN Cc1ccc2c(CSc3nc4sc5c(c4c(=O)n3C)CCCC5)cc(=O)oc2c1 ZINC000003355218 568886470 /nfs/dbraw/zinc/88/64/70/568886470.db2.gz RFRUWCNDGRSNJD-UHFFFAOYSA-N 0 0 424.547 4.581 50 0 HJAARN O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccco1)Cc1nc2ccccc2s1 ZINC000003359405 568887414 /nfs/dbraw/zinc/88/74/14/568887414.db2.gz YHPSFUDCGDHBKA-UHFFFAOYSA-N 0 0 418.927 4.934 50 0 HJAARN O=C(CSc1nnc(-c2ccccn2)n1-c1ccccc1)c1ccc(F)c(F)c1 ZINC000003364543 568888718 /nfs/dbraw/zinc/88/87/18/568888718.db2.gz GVGBQMVLWINAJW-UHFFFAOYSA-N 0 0 408.433 4.583 50 0 HJAARN Cc1cc(C)n2nc(C(=O)Nc3ccc(N(c4ccccc4)C(C)C)cc3)nc2n1 ZINC000003370831 568890459 /nfs/dbraw/zinc/89/04/59/568890459.db2.gz PVNOVSJRRHESNH-UHFFFAOYSA-N 0 0 400.486 4.540 50 0 HJAARN COc1cccc(OCCNC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1 ZINC000058158771 568893792 /nfs/dbraw/zinc/89/37/92/568893792.db2.gz ZIUQVVSLXQQBCM-UHFFFAOYSA-N 0 0 420.469 4.540 50 0 HJAARN CCn1c2ccccc2c2cc(NC(=O)[C@@H](NC(=O)c3ccncc3)C(C)C)ccc21 ZINC000058166031 568895195 /nfs/dbraw/zinc/89/51/95/568895195.db2.gz QHYRCYCBXPXKPC-QHCPKHFHSA-N 0 0 414.509 4.603 50 0 HJAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)Nc1ccccc1Oc1ccccc1 ZINC000003406921 568897212 /nfs/dbraw/zinc/89/72/12/568897212.db2.gz SBSFKKWKKSJUJF-UHFFFAOYSA-N 0 0 402.479 4.995 50 0 HJAARN O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)c1c[nH]c2ccccc12 ZINC000003445068 568904572 /nfs/dbraw/zinc/90/45/72/568904572.db2.gz ZOZMBDUUJHGTNH-UHFFFAOYSA-N 0 0 403.507 4.968 50 0 HJAARN C[C@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000003465826 568907350 /nfs/dbraw/zinc/90/73/50/568907350.db2.gz CLSHXBDJLJLJMM-INIZCTEOSA-N 0 0 417.494 4.574 50 0 HJAARN CCN(C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccccc1 ZINC000003466044 568907351 /nfs/dbraw/zinc/90/73/51/568907351.db2.gz LQLPKXGSNQJOED-UHFFFAOYSA-N 0 0 418.522 4.732 50 0 HJAARN O=C(CSc1nnc(Nc2ccccc2F)s1)N[C@H]1CCCc2ccccc21 ZINC000003469137 568907461 /nfs/dbraw/zinc/90/74/61/568907461.db2.gz HXECNBJPNQMELB-INIZCTEOSA-N 0 0 414.531 4.707 50 0 HJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2Cl)cc1 ZINC000003483371 568908661 /nfs/dbraw/zinc/90/86/61/568908661.db2.gz OPOIKYRHGZGSHS-UHFFFAOYSA-N 0 0 414.914 4.808 50 0 HJAARN Cc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3cc4ccc(C)cc4nc3Cl)C2)cc1 ZINC000001257785 568909082 /nfs/dbraw/zinc/90/90/82/568909082.db2.gz KGKRMUMTIZBGPL-HXUWFJFHSA-N 0 0 413.930 4.616 50 0 HJAARN COc1ccc(-n2c(SCC(=O)C(C)(C)C)nnc2-c2ccccc2)cc1OC ZINC000003489511 568909088 /nfs/dbraw/zinc/90/90/88/568909088.db2.gz PLTDUCDLZWLBTI-UHFFFAOYSA-N 0 0 411.527 4.659 50 0 HJAARN COc1ccc(C)cc1NC(=O)[C@H](Sc1nnc2ccccn21)c1ccccc1 ZINC000003496169 568909725 /nfs/dbraw/zinc/90/97/25/568909725.db2.gz GEVDDXSPLOTTKQ-HXUWFJFHSA-N 0 0 404.495 4.518 50 0 HJAARN CC(C)Oc1ccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccccc3)OC4)n2)cc1 ZINC000263615510 568910321 /nfs/dbraw/zinc/91/03/21/568910321.db2.gz CTHLSFDPKYZKCZ-NRFANRHFSA-N 0 0 402.454 4.659 50 0 HJAARN O=C(COc1ccc(Cl)cc1Br)Nc1ccccc1Br ZINC000003510441 568911227 /nfs/dbraw/zinc/91/12/27/568911227.db2.gz JWNLPRYIRHJYEE-UHFFFAOYSA-N 0 0 419.500 4.883 50 0 HJAARN CCOc1ccc([C@H]2Cn3nc(-c4nc(-c5ccc(C)cc5)no4)cc3CO2)cc1 ZINC000263617096 568911357 /nfs/dbraw/zinc/91/13/57/568911357.db2.gz MBAKZDYIIUJYRN-OAQYLSRUSA-N 0 0 402.454 4.579 50 0 HJAARN CCOc1ccc([C@H]2Cn3nc(-c4nc(-c5ccc(C)c(C)c5)no4)cc3CO2)cc1 ZINC000263617339 568911371 /nfs/dbraw/zinc/91/13/71/568911371.db2.gz NGQQSUIBFQEDLM-JOCHJYFZSA-N 0 0 416.481 4.887 50 0 HJAARN O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)N(Cc1ccccc1)C1CC1 ZINC000031070255 568911866 /nfs/dbraw/zinc/91/18/66/568911866.db2.gz MKZMVYWVXMXLFO-GOSISDBHSA-N 0 0 420.456 4.700 50 0 HJAARN CCOc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccccc5C)no4)cc3CO2)cc1 ZINC000263618054 568912264 /nfs/dbraw/zinc/91/22/64/568912264.db2.gz RADBRSPKNAGXNV-NRFANRHFSA-N 0 0 402.454 4.579 50 0 HJAARN COc1ccc([C@H]2Cn3nc(-c4nc(-c5ccccc5Cl)no4)cc3CO2)cc1 ZINC000263619320 568912342 /nfs/dbraw/zinc/91/23/42/568912342.db2.gz YCLZSIDWZFGLQN-LJQANCHMSA-N 0 0 408.845 4.534 50 0 HJAARN CCCCc1ccc(-c2csc(NC(=O)C3CCN(C(=O)C(C)C)CC3)n2)cc1 ZINC000025718899 568912385 /nfs/dbraw/zinc/91/23/85/568912385.db2.gz MWVAXVVHQGPSBK-UHFFFAOYSA-N 0 0 413.587 4.986 50 0 HJAARN CCOC(=O)CSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 ZINC000001297577 568913141 /nfs/dbraw/zinc/91/31/41/568913141.db2.gz TXOILYVQUARPNR-UHFFFAOYSA-N 0 0 401.557 4.897 50 0 HJAARN CCCc1nc2sc3c(ncnc3SCC(=O)OCC)c2c2c1CCCC2 ZINC000001306385 568913528 /nfs/dbraw/zinc/91/35/28/568913528.db2.gz KYKYGJYWRAPAOB-UHFFFAOYSA-N 0 0 401.557 4.726 50 0 HJAARN CC(C)c1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000001320548 568914129 /nfs/dbraw/zinc/91/41/29/568914129.db2.gz HUXYKRFGSZAYEN-SANMLTNESA-N 0 0 417.480 4.957 50 0 HJAARN Cc1cccc(C(=O)Nc2ccccc2C(=O)OCc2nnc(-c3ccccc3)o2)c1 ZINC000003545860 568914186 /nfs/dbraw/zinc/91/41/86/568914186.db2.gz YUPMCGWOEDIRMS-UHFFFAOYSA-N 0 0 413.433 4.654 50 0 HJAARN Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3c(F)cccc3Cl)c3ccccc32)cc1 ZINC000001320591 568914332 /nfs/dbraw/zinc/91/43/32/568914332.db2.gz JMKZPMSABIFJAQ-XMMPIXPASA-N 0 0 423.871 4.795 50 0 HJAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000003554047 568915194 /nfs/dbraw/zinc/91/51/94/568915194.db2.gz WPWYLXAKZBJNQA-UHFFFAOYSA-N 0 0 403.406 4.728 50 0 HJAARN CCc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 ZINC000003557712 568915431 /nfs/dbraw/zinc/91/54/31/568915431.db2.gz ZKWNPBDZLFTQCH-UHFFFAOYSA-N 0 0 408.523 4.717 50 0 HJAARN COC(=O)c1ccc(COC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cc1 ZINC000012696660 568916653 /nfs/dbraw/zinc/91/66/53/568916653.db2.gz CCUWRCMHDGEFHO-UHFFFAOYSA-N 0 0 424.453 4.678 50 0 HJAARN Fc1cccc(Cl)c1CSc1nc(CN2CCOCC2)nc2ccccc21 ZINC000012707559 568917611 /nfs/dbraw/zinc/91/76/11/568917611.db2.gz AZFHTVWWAIDHIU-UHFFFAOYSA-N 0 0 403.910 4.547 50 0 HJAARN O=C(NCc1ccco1)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)S2 ZINC000003589584 568918034 /nfs/dbraw/zinc/91/80/34/568918034.db2.gz RYYRAGVXCHZMGN-YBFXNURJSA-N 0 0 410.882 4.948 50 0 HJAARN CC[C@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 ZINC000003602557 568919277 /nfs/dbraw/zinc/91/92/77/568919277.db2.gz ARSFMHNLJMONSV-ZDUSSCGKSA-N 0 0 411.483 4.710 50 0 HJAARN O=C(CNCc1ccccc1Cl)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000058444895 568919433 /nfs/dbraw/zinc/91/94/33/568919433.db2.gz UYZGUBACEIPAFO-UHFFFAOYSA-N 0 0 413.304 4.953 50 0 HJAARN O=C1C(=O)N(Cc2ccc3c(c2)OCO3)[C@H](c2ccc(F)c(F)c2)C1c1ccccc1 ZINC000045942612 568921110 /nfs/dbraw/zinc/92/11/10/568921110.db2.gz SVPTVBACFBEUSR-JOCHJYFZSA-N 0 0 421.399 4.746 50 0 HJAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000031265803 568921194 /nfs/dbraw/zinc/92/11/94/568921194.db2.gz GEFJKWLVIHELHS-GOSISDBHSA-N 0 0 400.525 4.611 50 0 HJAARN CCOC(=O)c1ccc(Nc2c(=O)n(C)c3cccc4c3c2-c2ccccc2C4=O)cc1 ZINC000003635747 568921530 /nfs/dbraw/zinc/92/15/30/568921530.db2.gz XWRGEYLRPXYMOV-UHFFFAOYSA-N 0 0 424.456 4.670 50 0 HJAARN CCOC(=O)C[C@H](C(=O)Nc1nc2ccc(OC)cc2s1)[C@H](C)c1ccccc1 ZINC000003646764 568922193 /nfs/dbraw/zinc/92/21/93/568922193.db2.gz FUGBXGXESOXNLJ-PBHICJAKSA-N 0 0 412.511 4.617 50 0 HJAARN COc1ccc([C@@H]2[C@@H](C(=O)NCCC3=CCCCC3)c3ccccc3C(=O)N2C)cc1 ZINC000003657636 568923039 /nfs/dbraw/zinc/92/30/39/568923039.db2.gz WAYSKBHZYAMQOB-BJKOFHAPSA-N 0 0 418.537 4.612 50 0 HJAARN COc1ccc([C@H]2CCCN2C(=O)COc2ccc(Cl)cc2Br)cc1 ZINC000012733402 568923876 /nfs/dbraw/zinc/92/38/76/568923876.db2.gz PUBSKMWRVLVPBN-QGZVFWFLSA-N 0 0 424.722 4.854 50 0 HJAARN Cc1cccc(-c2nc(CCNC(=O)c3ccccc3Br)cs2)c1 ZINC000004570808 568924122 /nfs/dbraw/zinc/92/41/22/568924122.db2.gz XRJYOFDDQRYGNO-UHFFFAOYSA-N 0 0 401.329 4.854 50 0 HJAARN Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)cc(OCc2ccccc2Cl)n1 ZINC000001392256 568924306 /nfs/dbraw/zinc/92/43/06/568924306.db2.gz VPPQPLSSTQXDQC-UHFFFAOYSA-N 0 0 423.321 4.645 50 0 HJAARN Cc1sc2nc(-c3ccc(C(=O)N(C)Cc4cccs4)cc3)nc(N)c2c1C ZINC000031347430 568924641 /nfs/dbraw/zinc/92/46/41/568924641.db2.gz RVPDWCAVJYGSJB-UHFFFAOYSA-N 0 0 408.552 4.891 50 0 HJAARN CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CC1 ZINC000031390765 568925301 /nfs/dbraw/zinc/92/53/01/568925301.db2.gz UZWDHACZVKNQSI-QGZVFWFLSA-N 0 0 415.559 4.607 50 0 HJAARN COc1cc2nc(SCc3c(F)cccc3Cl)n3nc(C)nc3c2cc1OC ZINC000001396377 568926287 /nfs/dbraw/zinc/92/62/87/568926287.db2.gz FVKFCUGYBAIKJW-UHFFFAOYSA-N 0 0 418.881 4.688 50 0 HJAARN COc1ccc(C)cc1CN(C)[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000012739415 568926636 /nfs/dbraw/zinc/92/66/36/568926636.db2.gz GHYRWDGHHBDJPX-CQSZACIVSA-N 0 0 409.511 4.755 50 0 HJAARN Cc1cc(=O)oc2cc(OCc3nc(-c4cccc(C(F)(F)F)c4)no3)ccc12 ZINC000012739593 568926842 /nfs/dbraw/zinc/92/68/42/568926842.db2.gz FWVFDSPJTRHKSG-UHFFFAOYSA-N 0 0 402.328 4.749 50 0 HJAARN COc1ccc([C@@H]2CCCN2c2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)cc1 ZINC000083943965 568927227 /nfs/dbraw/zinc/92/72/27/568927227.db2.gz WWEFZYNGXCTYNY-SFHVURJKSA-N 0 0 416.308 4.889 50 0 HJAARN O=C(CCCn1c(=O)oc2ccccc21)Nc1ccccc1N1CCc2ccccc21 ZINC000031532577 568927639 /nfs/dbraw/zinc/92/76/39/568927639.db2.gz DDMSWPKKPABYLJ-UHFFFAOYSA-N 0 0 413.477 4.708 50 0 HJAARN O=C(OC[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O)c1ccccc1Cl ZINC000001406649 568928266 /nfs/dbraw/zinc/92/82/66/568928266.db2.gz WJDOZGUZOCRTDI-LJQANCHMSA-N 0 0 405.881 4.764 50 0 HJAARN Cc1ccc([C@@](O)(CCNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)C(F)(F)F)o1 ZINC000031570841 568928334 /nfs/dbraw/zinc/92/83/34/568928334.db2.gz YHUOYXWXVFWCDG-PXAZEXFGSA-N 0 0 421.868 4.678 50 0 HJAARN Cc1ccc(OCc2nnc(SCc3noc(-c4ccc(Cl)cc4)n3)o2)cc1 ZINC000031620920 568928731 /nfs/dbraw/zinc/92/87/31/568928731.db2.gz JGFHYGBCBMZMST-UHFFFAOYSA-N 0 0 414.874 4.953 50 0 HJAARN Cn1c(SCc2nc3ccccc3c(-c3ccccc3)n2)nc2ccccc2c1=O ZINC000031696431 568929297 /nfs/dbraw/zinc/92/92/97/568929297.db2.gz KILOQSQWRLZOBY-UHFFFAOYSA-N 0 0 410.502 4.836 50 0 HJAARN Cc1ccc(C(=O)[C@@H](OC(=O)CNC(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000001838460 568930297 /nfs/dbraw/zinc/93/02/97/568930297.db2.gz CLFVTBYKWUDCDW-QHCPKHFHSA-N 0 0 421.880 4.546 50 0 aggregator HJAARN CCCCO[C@H]1C[C@@H](c2ccc(OCc3ccc(OC)cc3)c(OC)c2)N(C)O1 ZINC000004002176 568932849 /nfs/dbraw/zinc/93/28/49/568932849.db2.gz KHROVKCHSKLFGG-NZQKXSOJSA-N 0 0 401.503 4.734 50 0 HJAARN CCC(=O)OC[C@@]12CO[C@H](c3ccccc3OC(=O)CC)[C@@H](C(C)=C[C@H]1C)[C@H]2C ZINC000004029251 568934276 /nfs/dbraw/zinc/93/42/76/568934276.db2.gz SILOCWNFXQCZOK-CVEYUPAISA-N 0 0 400.515 4.861 50 0 biogenic HJAARN Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc(Br)cc1 ZINC000004033090 568934861 /nfs/dbraw/zinc/93/48/61/568934861.db2.gz XQCGAFBXQCORRM-UHFFFAOYSA-N 0 0 407.271 4.720 50 0 HJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(-c2cn3cccnc3n2)c1 ZINC000004033037 568934864 /nfs/dbraw/zinc/93/48/64/568934864.db2.gz KRWYVEBMLQUMJT-UHFFFAOYSA-N 0 0 406.873 4.846 50 0 HJAARN CCCc1cc(=O)oc2cc(OC(=O)CCCCCNC(=O)OC(C)(C)C)ccc12 ZINC000004046025 568936238 /nfs/dbraw/zinc/93/62/38/568936238.db2.gz SPOLUKLEPCWMKG-UHFFFAOYSA-N 0 0 417.502 4.736 50 0 biogenic HJAARN CC[C@](C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)Cc1cccs1 ZINC000004076721 568938240 /nfs/dbraw/zinc/93/82/40/568938240.db2.gz PCMWZQUVHYXVHK-OAQYLSRUSA-N 0 0 404.601 4.608 50 0 HJAARN CCOc1ccc(CC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1OCC ZINC000001422706 568938414 /nfs/dbraw/zinc/93/84/14/568938414.db2.gz KHKPNYUJHIOLNT-UHFFFAOYSA-N 0 0 408.454 4.511 50 0 HJAARN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Nc1cc(Cl)ccc1C(=O)N(C)C ZINC000084129120 568939302 /nfs/dbraw/zinc/93/93/02/568939302.db2.gz DFITZZQYGYPESO-QGZVFWFLSA-N 0 0 403.910 4.778 50 0 HJAARN Cc1cc(NC(=O)NC(=O)c2c(Cl)cccc2Cl)n(-c2cccc(F)c2)n1 ZINC000001427028 568939307 /nfs/dbraw/zinc/93/93/07/568939307.db2.gz IMVBPWYKXWRABB-UHFFFAOYSA-N 0 0 407.232 4.589 50 0 HJAARN CCCCSc1nnc(CNC(=O)c2ccc(OC)cc2)n1C1CCCCC1 ZINC000004087406 568941031 /nfs/dbraw/zinc/94/10/31/568941031.db2.gz YKZGMTFXRCBQCL-UHFFFAOYSA-N 0 0 402.564 4.614 50 0 HJAARN COc1cccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CSC3)c1OC ZINC000004088753 568941238 /nfs/dbraw/zinc/94/12/38/568941238.db2.gz HJTJUWUVAZASOY-UHFFFAOYSA-N 0 0 415.902 4.542 50 0 HJAARN COc1ccccc1-c1noc(C2(S(=O)(=O)c3ccc(C)c(C)c3)CCCC2)n1 ZINC000084180804 568941954 /nfs/dbraw/zinc/94/19/54/568941954.db2.gz GDZCKZOOKYKQMD-UHFFFAOYSA-N 0 0 412.511 4.605 50 0 HJAARN COc1ccc(-c2noc(CCCCCNC(=O)C(C)(C)c3ccccc3)n2)cc1 ZINC000012754365 568942355 /nfs/dbraw/zinc/94/23/55/568942355.db2.gz XBKFZJPMXPHDJT-UHFFFAOYSA-N 0 0 407.514 4.552 50 0 HJAARN CC(C)(C)n1nc2c(c1NC(=O)C1(c3ccc(Cl)cc3)CCCC1)C[S@](=O)C2 ZINC000004106295 568943228 /nfs/dbraw/zinc/94/32/28/568943228.db2.gz DSTGSCOKZFLQGE-MUUNZHRXSA-N 0 0 419.978 4.504 50 0 HJAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(Cl)c3)C2)c2ccccc12 ZINC000012757859 568943246 /nfs/dbraw/zinc/94/32/46/568943246.db2.gz WPWGFOFEVRBBIK-INIZCTEOSA-N 0 0 422.912 4.993 50 0 HJAARN O=C(CCCc1c[nH]c2ccccc12)OCC(=O)c1ccc(Br)cc1 ZINC000004113443 568944113 /nfs/dbraw/zinc/94/41/13/568944113.db2.gz KTZDXGCFANOAHN-UHFFFAOYSA-N 0 0 400.272 4.679 50 0 biogenic HJAARN CC(C)(C)OC(=O)N1CCC(O)(c2ccccc2COC(=O)CC2CCCC2)CC1 ZINC000084200085 568944494 /nfs/dbraw/zinc/94/44/94/568944494.db2.gz KQPASNYNIMXZFN-UHFFFAOYSA-N 0 0 417.546 4.529 50 0 HJAARN Cc1nc2c(cc(OCC(=O)N3CCC[C@@H](C(F)(F)F)C3)c3ccsc32)s1 ZINC000084287020 568945620 /nfs/dbraw/zinc/94/56/20/568945620.db2.gz XAXZHUGYVVHWRK-LLVKDONJSA-N 0 0 414.474 4.999 50 0 HJAARN COc1ccc(CN(C(=O)c2cc(Cl)cc(Cl)c2)c2cnn(C)c2)c(OC)c1 ZINC000084318572 568946109 /nfs/dbraw/zinc/94/61/09/568946109.db2.gz YUMCTPGYFJXJMM-UHFFFAOYSA-N 0 0 420.296 4.591 50 0 HJAARN Cn1ccnc1-c1cccc(NC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)c1 ZINC000084325151 568946181 /nfs/dbraw/zinc/94/61/81/568946181.db2.gz GYRIJQKYQHLPEZ-UHFFFAOYSA-N 0 0 401.470 4.687 50 0 HJAARN OCc1cnc(SCc2ccc(Cl)c(Cl)c2)n1Cc1ccc2c(c1)OCO2 ZINC000004156000 568947203 /nfs/dbraw/zinc/94/72/03/568947203.db2.gz UWKHKKFMMBAISG-UHFFFAOYSA-N 0 0 423.321 4.752 50 0 HJAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1 ZINC000012764059 568947271 /nfs/dbraw/zinc/94/72/71/568947271.db2.gz CIIDUGZWIJILKV-AWEZNQCLSA-N 0 0 400.935 4.837 50 0 HJAARN CC[C@H](Sc1ccccc1)C(=O)Nc1nnc(-c2ccc(OC)cc2OC)s1 ZINC000004174678 568948496 /nfs/dbraw/zinc/94/84/96/568948496.db2.gz KITWPRJVIZQZAV-KRWDZBQOSA-N 0 0 415.540 4.732 50 0 HJAARN O=C(Nc1cc2c(cc1Cl)OCCCO2)N[C@H]1CCCOc2ccc(F)cc21 ZINC000084459393 568949419 /nfs/dbraw/zinc/94/94/19/568949419.db2.gz TYUGGZKMDMEUNG-HNNXBMFYSA-N 0 0 406.841 4.676 50 0 HJAARN C[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cc4ccccc4)cc3)c2C(N)=O)C1 ZINC000004200608 568951547 /nfs/dbraw/zinc/95/15/47/568951547.db2.gz IIJBQYOKIHLRAU-OAHLLOKOSA-N 0 0 404.535 4.815 50 0 HJAARN O=C(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1cc(F)c(F)cc1Cl ZINC000012771333 568952078 /nfs/dbraw/zinc/95/20/78/568952078.db2.gz XEPMOAWVFSQDBE-UHFFFAOYSA-N 0 0 420.822 4.995 50 0 HJAARN Cc1cccc(-n2nc3c(c2NC(=O)c2cccc(Br)c2)CSC3)c1 ZINC000004223318 568952406 /nfs/dbraw/zinc/95/24/06/568952406.db2.gz LDGUPUUEFATOMN-UHFFFAOYSA-N 0 0 414.328 4.942 50 0 HJAARN Cc1ccc(-c2csc3ncn(CCC(=O)N[C@@H](C)c4ccccc4)c(=O)c23)cc1 ZINC000012772489 568952571 /nfs/dbraw/zinc/95/25/71/568952571.db2.gz MHGCYANALJGSTR-KRWDZBQOSA-N 0 0 417.534 4.701 50 0 HJAARN COc1ccc([C@@H]2CCCN2Cn2nc(-c3ccc(C)cc3)n(C)c2=S)c(OC)c1 ZINC000012773062 568952584 /nfs/dbraw/zinc/95/25/84/568952584.db2.gz TUDCCDQDTSKGTK-FQEVSTJZSA-N 0 0 424.570 4.738 50 0 HJAARN Cc1cccc(-n2nc3c(c2NC(=O)c2cccc4ccccc42)C[S@](=O)C3)c1C ZINC000004224970 568952662 /nfs/dbraw/zinc/95/26/62/568952662.db2.gz VZNBUMSFTHHNAK-SSEXGKCCSA-N 0 0 415.518 4.657 50 0 HJAARN CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1 ZINC000004248117 568953813 /nfs/dbraw/zinc/95/38/13/568953813.db2.gz ZPIGFQPHLRRPSV-JOCHJYFZSA-N 0 0 415.445 4.570 50 0 HJAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)CC(=O)Nc1cccc(C)c1C ZINC000012776705 568955236 /nfs/dbraw/zinc/95/52/36/568955236.db2.gz KJIAACBQWYHZJV-UHFFFAOYSA-N 0 0 411.502 4.585 50 0 HJAARN Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)NCc3ccco3)s2)cc1Cl ZINC000012777091 568955525 /nfs/dbraw/zinc/95/55/25/568955525.db2.gz GMFYPBCGLVJACA-NSHDSACASA-N 0 0 408.936 4.634 50 0 HJAARN COc1ccc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)c(OC)c1 ZINC000012777995 568956031 /nfs/dbraw/zinc/95/60/31/568956031.db2.gz BDHWDIKXBMTIPY-UHFFFAOYSA-N 0 0 413.477 4.868 50 0 HJAARN COc1ccccc1CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 ZINC000004269198 568956601 /nfs/dbraw/zinc/95/66/01/568956601.db2.gz MOEBHALJDPADBD-UHFFFAOYSA-N 0 0 417.490 4.964 50 0 HJAARN COc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)COc3ccccc3)nc21 ZINC000004273306 568957879 /nfs/dbraw/zinc/95/78/79/568957879.db2.gz SCDRRWHOBFYMPF-UHFFFAOYSA-N 0 0 419.506 4.621 50 0 HJAARN COc1ccccc1[C@H]1Oc2ccccc2C2=Nc3ncnn3[C@H](c3cccs3)C21 ZINC000004291779 568959802 /nfs/dbraw/zinc/95/98/02/568959802.db2.gz AZZQMNAVCYDKAF-FGZHOGPDSA-N 0 0 414.490 4.561 50 0 HJAARN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000012786906 568960438 /nfs/dbraw/zinc/96/04/38/568960438.db2.gz AYGVFKMGMIRKRQ-HUUCEWRRSA-N 0 0 412.481 4.544 50 0 HJAARN Cc1ccc(-c2c[nH]c(SCCNC(=O)c3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000004315445 568961690 /nfs/dbraw/zinc/96/16/90/568961690.db2.gz OOPUMDUXGBDOCU-UHFFFAOYSA-N 0 0 405.445 4.926 50 0 HJAARN O=C(CNc1ccccc1C(=O)NCc1ccccc1)Nc1cccc2ccccc21 ZINC000007977849 568963136 /nfs/dbraw/zinc/96/31/36/568963136.db2.gz ULWPOTRWSIJTFH-UHFFFAOYSA-N 0 0 409.489 4.820 50 0 HJAARN CC(C)C(=O)Nc1sc2c(c1C(=O)OCC(=O)c1ccc(Cl)cc1)CCC2 ZINC000007985213 568964312 /nfs/dbraw/zinc/96/43/12/568964312.db2.gz ZGENEYPCNRNNFY-UHFFFAOYSA-N 0 0 405.903 4.524 50 0 HJAARN COc1cc(NC(=O)COc2ccccc2C)c(Cl)cc1NC(=O)c1ccccc1 ZINC000001439255 568965522 /nfs/dbraw/zinc/96/55/22/568965522.db2.gz JEFMHLASOVAGOL-UHFFFAOYSA-N 0 0 424.884 4.927 50 0 HJAARN Cc1csc(-c2ccc(OCC(=O)c3cc(C)n(C[C@H]4CCCO4)c3C)cc2)n1 ZINC000007995396 568967462 /nfs/dbraw/zinc/96/74/62/568967462.db2.gz KRMJVNJFLDNLJI-HXUWFJFHSA-N 0 0 410.539 4.978 50 0 HJAARN C[C@@H]1Oc2ccc(NC(=O)c3ccc(-c4nc5ccccc5s4)o3)cc2NC1=O ZINC000008015111 568968446 /nfs/dbraw/zinc/96/84/46/568968446.db2.gz SFPWTQJCMANTIW-NSHDSACASA-N 0 0 405.435 4.528 50 0 HJAARN O=C(Cc1c(F)cccc1Cl)NCCCCCc1nc(-c2cccs2)no1 ZINC000008013473 568968448 /nfs/dbraw/zinc/96/84/48/568968448.db2.gz RWGZILFQWHEVAB-UHFFFAOYSA-N 0 0 407.898 4.662 50 0 HJAARN C[C@H]1Oc2ccc(NC(=O)c3ccc(-c4nc5ccccc5s4)o3)cc2NC1=O ZINC000008015106 568968540 /nfs/dbraw/zinc/96/85/40/568968540.db2.gz SFPWTQJCMANTIW-LLVKDONJSA-N 0 0 405.435 4.528 50 0 HJAARN O=C(CCC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)NCc1ccc(Cl)cc1 ZINC000015682047 568968539 /nfs/dbraw/zinc/96/85/39/568968539.db2.gz ZQZGUXGRBOHYMZ-UHFFFAOYSA-N 0 0 421.928 4.534 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@H](C)c1ccccc1Br ZINC000008022112 568968941 /nfs/dbraw/zinc/96/89/41/568968941.db2.gz RABAACQOYJWQKI-CQSZACIVSA-N 0 0 412.331 4.672 50 0 HJAARN O=c1nc(CSc2ccc3c(c2)OCCO3)[nH]c2scc(-c3ccccc3)c21 ZINC000005173755 568968969 /nfs/dbraw/zinc/96/89/69/568968969.db2.gz RXYMXDRUIFEWQR-UHFFFAOYSA-N 0 0 408.504 4.715 50 0 HJAARN O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000008086432 568973283 /nfs/dbraw/zinc/97/32/83/568973283.db2.gz GPLBEOXQUWOTOS-HXUWFJFHSA-N 0 0 422.550 4.874 50 0 HJAARN O=C(C[C@@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O)NCc1ccc(Cl)cc1 ZINC000015720971 568976594 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Cc1oc2cc(OCC(=O)NC3CCCCCC3)ccc2c(=O)c1-c1ccccc1 ZINC000008183698 568980158 /nfs/dbraw/zinc/98/01/58/568980158.db2.gz JLHOPSWGJRLZAU-UHFFFAOYSA-N 0 0 405.494 4.986 50 0 HJAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2C(F)(F)F)NC(=O)N1C1CC1 ZINC000008193896 568981973 /nfs/dbraw/zinc/98/19/73/568981973.db2.gz REHBOYWFQDDVOR-LJQANCHMSA-N 0 0 415.415 4.847 50 0 HJAARN Cc1cc2c(cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1)[nH]c1c2C(=O)CCC1 ZINC000015733804 568983280 /nfs/dbraw/zinc/98/32/80/568983280.db2.gz XDKGLPTVIZMTMU-UHFFFAOYSA-N 0 0 406.866 4.589 50 0 HJAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000006049359 568983816 /nfs/dbraw/zinc/98/38/16/568983816.db2.gz QGNZJLRHTCKAPD-KBRIMQKVSA-N 0 0 402.409 4.746 50 0 HJAARN Cc1c(Cc2ccc(Cl)cc2)n2ccccc2c1C(=O)C(=O)Nc1ccncc1 ZINC000085391910 568984178 /nfs/dbraw/zinc/98/41/78/568984178.db2.gz VOFSIMOIELHNQF-UHFFFAOYSA-N 0 0 403.869 4.708 50 0 HJAARN O=C(Cn1cnc2sccc2c1=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000008244353 568985138 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O=C(C[C@@H]1COc2ccccc2N1Cc1ccc(F)cc1)NCCCc1ccccc1 ZINC000064663882 569079729 /nfs/dbraw/zinc/07/97/29/569079729.db2.gz KYKOFNHYPWQGEH-HSZRJFAPSA-N 0 0 418.512 4.732 50 0 HJAARN O=C(C[C@@H]1COc2cc(F)ccc2N1Cc1ccccc1)NCCC1=CCCCC1 ZINC000064663488 569079745 /nfs/dbraw/zinc/07/97/45/569079745.db2.gz DFVRUHDYIJWHJI-JOCHJYFZSA-N 0 0 408.517 4.990 50 0 HJAARN COc1ccccc1Nc1nnc(S[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)s1 ZINC000006650465 569080624 /nfs/dbraw/zinc/08/06/24/569080624.db2.gz YBJBOEXIGFMSDN-GBJTYRQASA-N 0 0 420.604 4.712 50 0 HJAARN Cc1cccc(-c2noc(-c3nn(CC(=O)NC4CCCCC4)c4ccccc43)n2)c1 ZINC000064677147 569080629 /nfs/dbraw/zinc/08/06/29/569080629.db2.gz JYLAQPWOMHRVND-UHFFFAOYSA-N 0 0 415.497 4.511 50 0 HJAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(OC(F)F)c1 ZINC000006652912 569082393 /nfs/dbraw/zinc/08/23/93/569082393.db2.gz SYIAZZKKCGYWPD-UHFFFAOYSA-N 0 0 405.319 4.584 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)CSc1ncnc2sc3c(c21)CCC3 ZINC000006653608 569082626 /nfs/dbraw/zinc/08/26/26/569082626.db2.gz QFLKGZUBWWMPBM-UHFFFAOYSA-N 0 0 405.932 4.573 50 0 HJAARN Cc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 ZINC000006658433 569083309 /nfs/dbraw/zinc/08/33/09/569083309.db2.gz YJLPANNJOBKUPQ-NRFANRHFSA-N 0 0 416.864 4.895 50 0 HJAARN CCC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1cccc(Cl)c1)C(C)C ZINC000036049601 569083417 /nfs/dbraw/zinc/08/34/17/569083417.db2.gz GUDBORLNCRAFHK-UHFFFAOYSA-N 0 0 424.932 4.778 50 0 HJAARN CCC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C)c(F)c1)C(C)C ZINC000036052101 569083833 /nfs/dbraw/zinc/08/38/33/569083833.db2.gz DSCIXGGKSPMBJQ-UHFFFAOYSA-N 0 0 422.504 4.572 50 0 HJAARN COc1cccc(CN(Cc2nc(C(=O)NCc3ccccc3)co2)[C@@H](C)C(C)C)c1 ZINC000036065582 569085833 /nfs/dbraw/zinc/08/58/33/569085833.db2.gz HTNGFDXIVIFVGP-IBGZPJMESA-N 0 0 421.541 4.660 50 0 HJAARN Cc1c(C)n(C[C@H]2CCCO2)c(NC(=O)c2ccco2)c1-c1nc2ccccc2[nH]1 ZINC000006665602 569086133 /nfs/dbraw/zinc/08/61/33/569086133.db2.gz LDHKPJXOSYYCPF-MRXNPFEDSA-N 0 0 404.470 4.673 50 0 HJAARN Cc1ccc(C)c(CN(Cc2nc(C(=O)NC3CC3)co2)[C@H](C)c2ccccc2)c1 ZINC000036073425 569086370 /nfs/dbraw/zinc/08/63/70/569086370.db2.gz QHBXSKBFSGOIAO-LJQANCHMSA-N 0 0 403.526 4.947 50 0 HJAARN C[C@@H]1CCCN(CC(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(Cl)cc2)C1 ZINC000006670412 569086713 /nfs/dbraw/zinc/08/67/13/569086713.db2.gz OIHFFRCFKVWSAP-OAHLLOKOSA-N 0 0 410.901 4.784 50 0 HJAARN Cc1ccc(CN(Cc2nc(C(=O)N3CCCC3)co2)Cc2ccc(F)cc2)c(C)c1 ZINC000036072533 569086743 /nfs/dbraw/zinc/08/67/43/569086743.db2.gz FGGCWULEZINPHR-UHFFFAOYSA-N 0 0 421.516 4.869 50 0 HJAARN CCNC(=O)c1coc(CN(Cc2ccccc2)Cc2ccc(Cl)cc2Cl)n1 ZINC000036073680 569086924 /nfs/dbraw/zinc/08/69/24/569086924.db2.gz AZKRXWKZWYRABE-UHFFFAOYSA-N 0 0 418.324 4.934 50 0 HJAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)Nc1cccnc1)OC1(CCCCC1)CC3 ZINC000006673550 569087225 /nfs/dbraw/zinc/08/72/25/569087225.db2.gz CQPRHIWSHXCRHE-UHFFFAOYSA-N 0 0 418.493 4.706 50 0 HJAARN Cc1ccccc1CN(Cc1nc(C(=O)NCc2ccco2)co1)Cc1ccccc1 ZINC000036082887 569087492 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COMCMSUFENYBLB-UHFFFAOYSA-N 0 0 415.818 4.848 50 0 HJAARN Cc1ccccc1NC(=O)COC(=O)c1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000013578959 569256248 /nfs/dbraw/zinc/25/62/48/569256248.db2.gz CAOVRDLEGWYGTC-UHFFFAOYSA-N 0 0 419.506 4.599 50 0 HJAARN CCCC(=O)Nc1ccc(S[C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000013579556 569256462 /nfs/dbraw/zinc/25/64/62/569256462.db2.gz WJDXQKPCBGSKTQ-KRWDZBQOSA-N 0 0 402.903 4.503 50 0 HJAARN CCN1CCc2c(sc(NC(=O)c3cc(C)no3)c2-c2nc3ccccc3s2)C1 ZINC000013595637 569256543 /nfs/dbraw/zinc/25/65/43/569256543.db2.gz RENMUIDKFUNGCO-UHFFFAOYSA-N 0 0 424.551 4.952 50 0 HJAARN COc1ccc(NC(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)cc1 ZINC000013610217 569256682 /nfs/dbraw/zinc/25/66/82/569256682.db2.gz UAQLNIQPDIHGKQ-UHFFFAOYSA-N 0 0 403.486 4.787 50 0 HJAARN COc1ccc(C(=O)C2CCN(Cc3nc(-c4ccc(C(C)C)cc4)no3)CC2)cc1 ZINC000014326657 569259422 /nfs/dbraw/zinc/25/94/22/569259422.db2.gz CTDOVBJVUKKYGN-UHFFFAOYSA-N 0 0 419.525 4.964 50 0 HJAARN COc1c(Br)cc(Cl)cc1NC(=O)c1ccc(Br)o1 ZINC000014555061 569260417 /nfs/dbraw/zinc/26/04/17/569260417.db2.gz PVPYNIQBKSKEHV-UHFFFAOYSA-N 0 0 409.461 4.719 50 0 HJAARN Cc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCCC[C@H]3C)c2)c(Cl)c1 ZINC000014669261 569262455 /nfs/dbraw/zinc/26/24/55/569262455.db2.gz VCKVGJCWHVVOOB-MRXNPFEDSA-N 0 0 420.962 4.772 50 0 HJAARN COc1ccc(Nc2cc(C)nc3c(-c4ccc(OC)c(OC)c4)c(C)nn32)cc1 ZINC000007572459 569263643 /nfs/dbraw/zinc/26/36/43/569263643.db2.gz YNZJWBWAYQSWFE-UHFFFAOYSA-N 0 0 404.470 4.783 50 0 HJAARN Cc1ccc(-c2noc(CSc3nc4ccsc4c(=O)n3CC(C)C)n2)cc1 ZINC000016843320 569264838 /nfs/dbraw/zinc/26/48/38/569264838.db2.gz SBXXSISCOWPADR-UHFFFAOYSA-N 0 0 412.540 4.765 50 0 HJAARN COc1ccc(NC(=O)CCc2csc3nc(-c4ccccc4)cn23)cc1OC ZINC000016848717 569265392 /nfs/dbraw/zinc/26/53/92/569265392.db2.gz ZCDDCPMGQRROOC-UHFFFAOYSA-N 0 0 407.495 4.651 50 0 HJAARN Cc1csc(NC(=O)CCc2csc(NC(=O)Nc3cccc(Cl)c3)n2)n1 ZINC000016849165 569265554 /nfs/dbraw/zinc/26/55/54/569265554.db2.gz BDDWVLVTWZXYRK-UHFFFAOYSA-N 0 0 421.935 4.777 50 0 HJAARN O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CCC[C@H]1c1cccs1 ZINC000089799964 569266188 /nfs/dbraw/zinc/26/61/88/569266188.db2.gz XUYXTOPJCSQAJQ-CJNGLKHVSA-N 0 0 409.338 4.772 50 0 HJAARN FC(F)(F)c1cc(NC[C@H]2CN(Cc3ccccc3)CCO2)c2ccccc2n1 ZINC000089834967 569266759 /nfs/dbraw/zinc/26/67/59/569266759.db2.gz JGASLBUECYECJQ-KRWDZBQOSA-N 0 0 401.432 4.567 50 0 HJAARN FC(F)(F)c1cc(NC[C@@H](c2cccs2)N2CCOCC2)c2ccccc2n1 ZINC000089866638 569267423 /nfs/dbraw/zinc/26/74/23/569267423.db2.gz QFSKODCWAFORPE-KRWDZBQOSA-N 0 0 407.461 4.801 50 0 HJAARN O=C(CN(Cc1ccco1)Cc1cccs1)Nc1cccc(Br)c1 ZINC000007580358 569269509 /nfs/dbraw/zinc/26/95/09/569269509.db2.gz DOUFFEVZILITNB-UHFFFAOYSA-N 0 0 405.317 4.745 50 0 HJAARN COCCCn1c(=O)c2ccccc2nc1SCc1nc(-c2ccccc2)oc1C ZINC000016991656 569270710 /nfs/dbraw/zinc/27/07/10/569270710.db2.gz FBIOXJSXWCDVFD-UHFFFAOYSA-N 0 0 421.522 4.689 50 0 HJAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccco2)c(C)c1 ZINC000016994334 569270979 /nfs/dbraw/zinc/27/09/79/569270979.db2.gz 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ZINC000001118064 569277312 /nfs/dbraw/zinc/27/73/12/569277312.db2.gz HJJSNHVDMBYQQH-CPNJWEJPSA-N 0 0 405.475 4.989 50 0 HJAARN Cc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000000638034 569281766 /nfs/dbraw/zinc/28/17/66/569281766.db2.gz FDQINJWNCGYVAS-ZEQRLZLVSA-N 0 0 410.452 4.938 50 0 HJAARN CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nc2sc(C)c(C)c2c1=O ZINC000002265231 569282647 /nfs/dbraw/zinc/28/26/47/569282647.db2.gz XWCZAKHDPORWGG-UHFFFAOYSA-N 0 0 421.975 4.787 50 0 HJAARN CCCCOC(=O)c1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)cc1 ZINC000002113440 569284096 /nfs/dbraw/zinc/28/40/96/569284096.db2.gz WKCTZJJIOIGIKF-UHFFFAOYSA-N 0 0 419.477 4.595 50 0 biogenic HJAARN CCCCOC(=O)c1ccc(N2COc3c(C)c4oc(=O)cc(CC)c4cc3C2)cc1 ZINC000002118665 569284811 /nfs/dbraw/zinc/28/48/11/569284811.db2.gz QKPYCHRQADYIBN-UHFFFAOYSA-N 0 0 421.493 4.977 50 0 biogenic HJAARN C[C@@H]1C[C@H](C)CN(c2nnc(SC[C@H]3CC3(Cl)Cl)n2Cc2ccco2)C1 ZINC000252452858 569286334 /nfs/dbraw/zinc/28/63/34/569286334.db2.gz 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CCOc1ccc(-c2csc(N[C@@H]3OC(=O)c4c3ccc(OC)c4OC)n2)cc1 ZINC000002200079 569294858 /nfs/dbraw/zinc/29/48/58/569294858.db2.gz BVEDBYPBRAHYBX-LJQANCHMSA-N 0 0 412.467 4.507 50 0 HJAARN O=C(COc1ccc(Cl)c2cccnc12)Nc1ccc(Br)cc1F ZINC000007612346 569295650 /nfs/dbraw/zinc/29/56/50/569295650.db2.gz HMRCKZXJLJSRKL-UHFFFAOYSA-N 0 0 409.642 4.807 50 0 HJAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2cc(C)cc(C)c2)cc1 ZINC000002202523 569295685 /nfs/dbraw/zinc/29/56/85/569295685.db2.gz QZZFZAMLUVFSAE-UHFFFAOYSA-N 0 0 400.478 4.768 50 0 HJAARN O=C(CCCOc1ccccc1Br)Oc1ccccc1Br ZINC000094992608 569297493 /nfs/dbraw/zinc/29/74/93/569297493.db2.gz LYKLHMLEZYONED-UHFFFAOYSA-N 0 0 414.093 4.976 50 0 HJAARN CSc1ncccc1C(=O)O[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000007657185 569299263 /nfs/dbraw/zinc/29/92/63/569299263.db2.gz SSXWUEIYNWLELR-HXUWFJFHSA-N 0 0 406.507 4.957 50 0 HJAARN O=C(c1cccc(F)c1)N(Cc1ccc(F)cc1)C[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000037441909 569299682 /nfs/dbraw/zinc/29/96/82/569299682.db2.gz HFIBQQTTYHBFJF-QFIPXVFZSA-N 0 0 424.422 4.940 50 0 HJAARN Cc1nc2ccc(NC(=O)C3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc2s1 ZINC000007670235 569299934 /nfs/dbraw/zinc/29/99/34/569299934.db2.gz VOOFJKPUTOWUSP-UHFFFAOYSA-N 0 0 413.930 4.749 50 0 HJAARN CC(=O)Nc1cccc(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)c1 ZINC000007669853 569299936 /nfs/dbraw/zinc/29/99/36/569299936.db2.gz BEYMZLNYUCTVAV-UHFFFAOYSA-N 0 0 412.445 4.979 50 0 HJAARN C[C@H](NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1cc2ccccc2o1 ZINC000007684665 569300662 /nfs/dbraw/zinc/30/06/62/569300662.db2.gz JYMWFRDRGNBUEL-FXAWDEMLSA-N 0 0 420.509 4.608 50 0 HJAARN O=S1(=O)CCN2C(=N1)SC(c1ccccc1Cl)=C2c1ccccc1Cl ZINC000007717129 569301980 /nfs/dbraw/zinc/30/19/80/569301980.db2.gz ULJPRWGBHYXPDH-UHFFFAOYSA-N 0 0 411.335 4.567 50 0 HJAARN Cc1ccc(-c2noc(CN(C(=O)COc3ccccc3)C3CCCCC3)n2)cc1 ZINC000007720944 569302733 /nfs/dbraw/zinc/30/27/33/569302733.db2.gz UTJXZWFKFNYHSH-UHFFFAOYSA-N 0 0 405.498 4.785 50 0 HJAARN Cc1cccc(OCC(=O)N(Cc2nc(-c3ccccc3)no2)C2CCCCC2)c1 ZINC000007720999 569302737 /nfs/dbraw/zinc/30/27/37/569302737.db2.gz XXMAQQODYZECRS-UHFFFAOYSA-N 0 0 405.498 4.785 50 0 HJAARN COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc2c(c1)nc(C)n2-c1ccccc1 ZINC000007737634 569304847 /nfs/dbraw/zinc/30/48/47/569304847.db2.gz REJOQJUJMXZQJA-UHFFFAOYSA-N 0 0 413.477 4.726 50 0 HJAARN O=C(NCc1ccccn1)c1cc2sc(Br)cc2n1CC1CCC1 ZINC000037543220 569305239 /nfs/dbraw/zinc/30/52/39/569305239.db2.gz OBZWCBYBBFCGPA-UHFFFAOYSA-N 0 0 404.333 4.590 50 0 HJAARN Cc1cccc(Cn2c(C(=O)NCC3CC3)cc3sc(Br)cc32)c1 ZINC000037543205 569305288 /nfs/dbraw/zinc/30/52/88/569305288.db2.gz QLYGVWBFXSYZNI-UHFFFAOYSA-N 0 0 403.345 4.962 50 0 HJAARN COc1cccc(CN2CCCN(c3cccc(NC(=O)c4cccs4)c3)C2=O)c1 ZINC000037544396 569305471 /nfs/dbraw/zinc/30/54/71/569305471.db2.gz DTQKFVNWRGOYLZ-UHFFFAOYSA-N 0 0 421.522 4.841 50 0 HJAARN Cc1cccc([C@H]2CC[C@H](C(=O)NCc3ccco3)CN2C(=O)c2ccc(F)cc2)c1 ZINC000037545825 569305490 /nfs/dbraw/zinc/30/54/90/569305490.db2.gz CLQNVMBBHTUQRE-NZQKXSOJSA-N 0 0 420.484 4.637 50 0 HJAARN O=C(Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1)c1ccncc1 ZINC000007741206 569306040 /nfs/dbraw/zinc/30/60/40/569306040.db2.gz OHMVWWXEONCVOB-UHFFFAOYSA-N 0 0 400.463 4.710 50 0 HJAARN Cc1ccc(CN(C)C(=O)CSc2nnc(-c3cccs3)n2C2CC2)c(C)c1 ZINC000007763808 569307819 /nfs/dbraw/zinc/30/78/19/569307819.db2.gz YRDWLFWYXOXDGF-UHFFFAOYSA-N 0 0 412.584 4.709 50 0 HJAARN CCN(CC)S(=O)(=O)c1ccc(Oc2cccc(C)c2)c(NC(=O)C2CCC2)c1 ZINC000007765041 569307954 /nfs/dbraw/zinc/30/79/54/569307954.db2.gz KVHMSIPNTDAWOT-UHFFFAOYSA-N 0 0 416.543 4.556 50 0 HJAARN O=C(Cc1cccc(N(Cc2ccc(F)cc2)C(=O)c2ccccc2)c1)NCC1CC1 ZINC000037600903 569309031 /nfs/dbraw/zinc/30/90/31/569309031.db2.gz GWGSXZYAJBSJRO-UHFFFAOYSA-N 0 0 416.496 4.741 50 0 HJAARN CCC(=O)N1CCc2ccc(O[C@H](CC)C(=O)NC(C)C)cc2[C@@H]1c1ccc(C)cc1 ZINC000037603470 569309508 /nfs/dbraw/zinc/30/95/08/569309508.db2.gz DFMFHARUXOEGPB-NOZRDPDXSA-N 0 0 422.569 4.561 50 0 HJAARN COc1cc(CN(C)[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)ccc1OC(F)F ZINC000007781812 569310093 /nfs/dbraw/zinc/31/00/93/569310093.db2.gz UJXTYXTURLPXFR-AWEZNQCLSA-N 0 0 403.429 4.848 50 0 HJAARN COc1ccccc1-n1c(=O)c2c(nc1SC)-c1ccccc1CC21CCCC1 ZINC000002219224 569312113 /nfs/dbraw/zinc/31/21/13/569312113.db2.gz POGQPHRWOXCQCG-UHFFFAOYSA-N 0 0 404.535 4.998 50 0 HJAARN O=C(COc1ccc(C(=O)c2ccccc2)cc1)N[C@H](c1ccco1)c1ccccc1 ZINC000007808788 569312244 /nfs/dbraw/zinc/31/22/44/569312244.db2.gz RZBPUXTZZVWVBL-VWLOTQADSA-N 0 0 411.457 4.795 50 0 HJAARN COc1ccc([C@@H]2CCCN2C(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1 ZINC000027396764 569312874 /nfs/dbraw/zinc/31/28/74/569312874.db2.gz RDRSJFMMYAAHMX-QHCPKHFHSA-N 0 0 406.482 4.856 50 0 HJAARN C[C@H](Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1)c1ccccc1 ZINC000007843468 569314088 /nfs/dbraw/zinc/31/40/88/569314088.db2.gz SJMQIKGSPBMDPN-INIZCTEOSA-N 0 0 413.568 4.768 50 0 HJAARN CN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)Cc1cccs1 ZINC000007846791 569314400 /nfs/dbraw/zinc/31/44/00/569314400.db2.gz VQYFEWNTHFGACO-LJQANCHMSA-N 0 0 413.930 4.804 50 0 HJAARN CC(C)(C)n1ncc2c1N=C1NC(=O)N(c3ccccc3)[C@@H]1[C@@H]2c1ccc(F)cc1 ZINC000066091489 569314518 /nfs/dbraw/zinc/31/45/18/569314518.db2.gz QRFAKHADZYSJMT-RTBURBONSA-N 0 0 403.461 4.551 50 0 HJAARN CCOC(=O)c1ccc(Nc2cc(C)nc(Nc3ccc(C(=O)OCC)cc3)n2)cc1 ZINC000002226435 569315349 /nfs/dbraw/zinc/31/53/49/569315349.db2.gz XQABJHMTLNZEJT-UHFFFAOYSA-N 0 0 420.469 4.626 50 0 HJAARN COc1ccc([C@H](CNC(=O)COc2ccc(C)cc2)c2c[nH]c3ccccc32)cc1 ZINC000007889861 569315400 /nfs/dbraw/zinc/31/54/00/569315400.db2.gz OOAUNMBNRPTQDR-QHCPKHFHSA-N 0 0 414.505 4.812 50 0 HJAARN COc1cc(OC)c(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)cc1OC ZINC000007898925 569318947 /nfs/dbraw/zinc/31/89/47/569318947.db2.gz GDGKYIRFWXGGJO-UHFFFAOYSA-N 0 0 401.846 4.556 50 0 HJAARN Cc1c(N=c2scc(C(C)(C)C)n2-c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000252671624 569319416 /nfs/dbraw/zinc/31/94/16/569319416.db2.gz NUKPMVKKOCBTMW-UHFFFAOYSA-N 0 0 418.566 4.867 50 0 HJAARN CCCCNC(=O)CSc1nc2ccc(NC(=O)c3ccc(C)cc3)cc2s1 ZINC000003664673 569321260 /nfs/dbraw/zinc/32/12/60/569321260.db2.gz ZGVDAISAZIMUOY-UHFFFAOYSA-N 0 0 413.568 4.865 50 0 HJAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(F)cc1)cn2Cc1cccc(F)c1 ZINC000002690288 569322320 /nfs/dbraw/zinc/32/23/20/569322320.db2.gz FVFPCCNZBLMROT-UHFFFAOYSA-N 0 0 419.427 4.958 50 0 HJAARN CCOc1ccccc1NC(=O)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000002725335 569322575 /nfs/dbraw/zinc/32/25/75/569322575.db2.gz VAGFWFRLZDFQFW-KRWDZBQOSA-N 0 0 402.756 4.548 50 0 HJAARN Cc1ccc(C(=O)N/C(=C/C=C\c2ccccc2)C(=O)NCCc2ccccc2)cc1 ZINC000027474598 569324009 /nfs/dbraw/zinc/32/40/09/569324009.db2.gz QYKIYNDXLNMIBL-FMEHMHBLSA-N 0 0 410.517 4.681 50 0 biogenic HJAARN CCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)c1 ZINC000002245931 569324094 /nfs/dbraw/zinc/32/40/94/569324094.db2.gz OLNKDPHNMKQBQU-QFIPXVFZSA-N 0 0 412.445 4.727 50 0 HJAARN CCCCCCNC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc21 ZINC000002252275 569324117 /nfs/dbraw/zinc/32/41/17/569324117.db2.gz ATRRTFSJCLAZLK-UHFFFAOYSA-N 0 0 415.541 4.720 50 0 HJAARN COc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(C)cc2)cc1 ZINC000002250174 569324627 /nfs/dbraw/zinc/32/46/27/569324627.db2.gz IRJGTLBCRVKZEP-RPBOFIJWSA-N 0 0 422.488 4.808 50 0 HJAARN Cc1cc(C)cc(-n2c(N)c(C(=O)OCCC(C)C)c3nc4ccccc4nc32)c1 ZINC000002253175 569324813 /nfs/dbraw/zinc/32/48/13/569324813.db2.gz CWEOCBXKQCSWMI-UHFFFAOYSA-N 0 0 402.498 4.976 50 0 HJAARN CCOc1ccc([C@@H]2Oc3ccccc3C3=Nc4ncnn4[C@H](c4ccccc4)C32)cc1 ZINC000002267689 569325959 /nfs/dbraw/zinc/32/59/59/569325959.db2.gz COKQPBUCEUGRFT-RPBOFIJWSA-N 0 0 422.488 4.890 50 0 HJAARN CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3C=C(Cl)C4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C ZINC000004536059 569356882 /nfs/dbraw/zinc/35/68/82/569356882.db2.gz QMBJSIBWORFWQT-NAJXOFDYSA-N 0 0 404.934 4.752 50 0 HJAARN Nc1c(C(=O)Nc2cccc(F)c2)c2nc3ccccc3nc2n1-c1cccc(F)c1 ZINC000002290952 569369011 /nfs/dbraw/zinc/36/90/11/569369011.db2.gz PKSPCUICGLSIGF-UHFFFAOYSA-N 0 0 415.403 4.686 50 0 HJAARN C[C@H](NC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12)c1ccccc1 ZINC000002290233 569369026 /nfs/dbraw/zinc/36/90/26/569369026.db2.gz GNXICJSKOUQZNN-KRWDZBQOSA-N 0 0 421.504 4.706 50 0 HJAARN CCOC(=O)C1=NN(c2ccccc2)[C@@H](c2cccs2)N1c1ccc(N(C)C)cc1 ZINC000002297035 569369558 /nfs/dbraw/zinc/36/95/58/569369558.db2.gz VTGZQTHEYVQPEY-QFIPXVFZSA-N 0 0 420.538 4.716 50 0 HJAARN CCCCCCNC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc21 ZINC000002325278 569375332 /nfs/dbraw/zinc/37/53/32/569375332.db2.gz UKZXQIOZUOLBGE-UHFFFAOYSA-N 0 0 419.504 4.664 50 0 HJAARN Cc1ccc(C(=O)N(CCc2nc(-c3cccc(C)c3)no2)Cc2ccco2)cc1 ZINC000107147868 569381197 /nfs/dbraw/zinc/38/11/97/569381197.db2.gz BPOTYYSZWWCJBV-UHFFFAOYSA-N 0 0 401.466 4.832 50 0 HJAARN Cn1ccnc1SC[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253499917 569382182 /nfs/dbraw/zinc/38/21/82/569382182.db2.gz RNFUORZCJMHGLE-IOIXJJKASA-N 0 0 416.631 4.567 50 0 biogenic HJAARN CCCCCCn1c(N)c(C(=O)NCc2ccc(F)cc2)c2nc3ccccc3nc21 ZINC000002357205 569385477 /nfs/dbraw/zinc/38/54/77/569385477.db2.gz XVWZBMMHJMCERA-UHFFFAOYSA-N 0 0 419.504 4.816 50 0 HJAARN CCOC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@H](C(=O)OCC)[C@@H]1c1ccco1 ZINC000002359798 569385598 /nfs/dbraw/zinc/38/55/98/569385598.db2.gz KQEGCJRLMNRRQP-UNMCSNQZSA-N 0 0 409.482 4.740 50 0 HJAARN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc2oc(=O)c(C)c(C)c2cc1Cl ZINC000002376133 569389435 /nfs/dbraw/zinc/38/94/35/569389435.db2.gz CNVSHDXZPRQMMN-HNNXBMFYSA-N 0 0 423.893 4.662 50 0 HJAARN COc1ccc(C)cc1NC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000008826181 569390503 /nfs/dbraw/zinc/39/05/03/569390503.db2.gz PDFHVJGJCXOQRI-CCEZHUSRSA-N 0 0 422.506 4.669 50 0 HJAARN Cc1ccccc1-c1nc2s/c(=C\c3ccc(-c4cccc(Cl)c4)o3)c(=O)n2n1 ZINC000002388425 569392542 /nfs/dbraw/zinc/39/25/42/569392542.db2.gz MRDHUOSGSUYTHV-UNOMPAQXSA-N 0 0 419.893 4.588 50 0 HJAARN CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nccs2)cc1 ZINC000002400369 569395461 /nfs/dbraw/zinc/39/54/61/569395461.db2.gz YLLVRCGYKIUTNT-LJQANCHMSA-N 0 0 418.474 4.706 50 0 HJAARN CC(C)Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2)s1 ZINC000002401696 569395569 /nfs/dbraw/zinc/39/55/69/569395569.db2.gz TYJJHBIGSDLQEK-IBGZPJMESA-N 0 0 417.490 4.593 50 0 HJAARN CCOC(=O)Oc1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1 ZINC000002406953 569396219 /nfs/dbraw/zinc/39/62/19/569396219.db2.gz SMWUYVHBAKPHBB-SXGWCWSVSA-N 0 0 406.221 4.873 50 0 HJAARN Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(C)cc2)s1 ZINC000002411585 569396846 /nfs/dbraw/zinc/39/68/46/569396846.db2.gz KYHXULXGWCJYBX-QGZVFWFLSA-N 0 0 423.881 4.665 50 0 HJAARN COc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2F)cc1 ZINC000002419344 569397696 /nfs/dbraw/zinc/39/76/96/569397696.db2.gz OTZALODYROGZHN-QFIPXVFZSA-N 0 0 415.420 4.686 50 0 HJAARN Nc1c(C(=O)c2ccc3c(c2)OCO3)sc2nc(C(F)(F)F)c3c(c12)CCCC3 ZINC000257173490 569397699 /nfs/dbraw/zinc/39/76/99/569397699.db2.gz OVABDFUXAIXZSD-UHFFFAOYSA-N 0 0 420.412 4.736 50 0 HJAARN COc1cccc(-c2cc3c(c(OC)c2)OCCN(Cc2ccccc2)C3)c1OC ZINC000055282362 569398525 /nfs/dbraw/zinc/39/85/25/569398525.db2.gz YISSHKVPWLUOGJ-UHFFFAOYSA-N 0 0 405.494 4.774 50 0 HJAARN CCc1nc2c3ccccc3oc2c(SCC(=O)Nc2cc(C)ccc2OC)n1 ZINC000002444275 569400994 /nfs/dbraw/zinc/40/09/94/569400994.db2.gz QKSXOUMRVCAGQD-UHFFFAOYSA-N 0 0 407.495 4.986 50 0 HJAARN CSc1nncn1-c1cccc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1 ZINC000012536551 569401658 /nfs/dbraw/zinc/40/16/58/569401658.db2.gz WUPZXIODRXPRNX-SOFGYWHQSA-N 0 0 405.310 4.948 50 0 HJAARN COC(=O)c1ccc(/C=C/C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)cc1 ZINC000012616706 569402119 /nfs/dbraw/zinc/40/21/19/569402119.db2.gz ZECOPPYURWGNQW-IZZDOVSWSA-N 0 0 412.898 4.826 50 0 HJAARN CCOc1c(Cl)cc(/C=C/C(=O)NCc2ccc(OC(F)F)cc2)cc1OC ZINC000012919727 569405026 /nfs/dbraw/zinc/40/50/26/569405026.db2.gz VPGWMYHBRBKONB-RMKNXTFCSA-N 0 0 411.832 4.678 50 0 HJAARN CC(C)n1c(S[C@H](C(=O)N2CCCCC2)c2ccccc2)nc2ccccc2c1=O ZINC000012983493 569405989 /nfs/dbraw/zinc/40/59/89/569405989.db2.gz JFFRYWOMVWJQAP-NRFANRHFSA-N 0 0 421.566 4.823 50 0 HJAARN Cc1cc(C)n(-c2ccc(Nc3ccc(NC(=O)c4ccc(C)cc4C)cc3)nn2)n1 ZINC000013009868 569407086 /nfs/dbraw/zinc/40/70/86/569407086.db2.gz FTTRXMLAXNBTBX-UHFFFAOYSA-N 0 0 412.497 4.892 50 0 HJAARN COc1cc(C=C(C(=O)Nc2ccccc2C)C(=O)Nc2ccccc2C)ccc1O ZINC000013041627 569407919 /nfs/dbraw/zinc/40/79/19/569407919.db2.gz ZKMMVTMGYQUODL-UHFFFAOYSA-N 0 0 416.477 4.678 50 0 HJAARN O=C(CSc1ccccc1C(=O)Nc1ccc(Cl)cc1)NCc1ccco1 ZINC000013041796 569408041 /nfs/dbraw/zinc/40/80/41/569408041.db2.gz BJSWAZHQRDVEIW-UHFFFAOYSA-N 0 0 400.887 4.594 50 0 HJAARN C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000013072524 569408659 /nfs/dbraw/zinc/40/86/59/569408659.db2.gz KDPRAXRJYHMSFP-SECBINFHSA-N 0 0 418.824 4.644 50 0 HJAARN CCCCC(=O)N1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccc(F)cc1 ZINC000002456308 569410314 /nfs/dbraw/zinc/41/03/14/569410314.db2.gz LYUWLYQANTWDGI-HXUWFJFHSA-N 0 0 419.294 4.649 50 0 HJAARN CCCCC1CCC(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)C[S@](=O)C3)CC1 ZINC000002456791 569410704 /nfs/dbraw/zinc/41/07/04/569410704.db2.gz HPYTXZGWKZVYRX-KUHNRFIWSA-N 0 0 417.550 4.709 50 0 HJAARN COc1ccc(Br)c(-c2nnc(-c3ccc(Br)cc3)o2)c1 ZINC000013364294 569412075 /nfs/dbraw/zinc/41/20/75/569412075.db2.gz OSLSHDZXQMXEID-UHFFFAOYSA-N 0 0 410.065 4.937 50 0 HJAARN O=C(Cn1nc(-c2ccccc2)c2cc(Cl)ccc21)Nc1ccc2c(c1)OCCO2 ZINC000013369011 569412564 /nfs/dbraw/zinc/41/25/64/569412564.db2.gz YXFPLNFJIBKHSQ-UHFFFAOYSA-N 0 0 419.868 4.767 50 0 HJAARN C[C@@H]1CN(C(=O)/C=C/c2cccc(OCc3ccc(C(F)(F)F)cc3)c2)C[C@H](C)O1 ZINC000013400605 569413464 /nfs/dbraw/zinc/41/34/64/569413464.db2.gz HBJZHAOINFQRQE-FEUHHVOASA-N 0 0 419.443 4.933 50 0 HJAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2ncoc2-c2cccs2)C1 ZINC000078658477 569414704 /nfs/dbraw/zinc/41/47/04/569414704.db2.gz QHVNPHFQAMSWHO-HUUCEWRRSA-N 0 0 409.511 4.774 50 0 HJAARN O=C(Cc1c[nH]c2ccccc12)N1CCC(=O)N(Cc2ccccc2)c2ccccc21 ZINC000078868993 569420996 /nfs/dbraw/zinc/42/09/96/569420996.db2.gz AZGGNALOMUZXFL-UHFFFAOYSA-N 0 0 409.489 4.681 50 0 HJAARN O=C(NC1CCCCC1)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F ZINC000078964272 569422137 /nfs/dbraw/zinc/42/21/37/569422137.db2.gz FOQOOVSMYFMBNP-UHFFFAOYSA-N 0 0 405.342 4.972 50 0 HJAARN Cn1cc(Nc2cccc(NC(=O)c3ccc(Br)cc3Cl)c2)cn1 ZINC000078968687 569422332 /nfs/dbraw/zinc/42/23/32/569422332.db2.gz UADRASMQCBRVPI-UHFFFAOYSA-N 0 0 405.683 4.832 50 0 HJAARN COc1ccc(C(=O)Nc2ccc(-n3nc(C)c(Br)c3C)cc2)cc1 ZINC000027924812 569423447 /nfs/dbraw/zinc/42/34/47/569423447.db2.gz OKMIAGFQOJDVNU-UHFFFAOYSA-N 0 0 400.276 4.513 50 0 HJAARN CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000002463419 569433172 /nfs/dbraw/zinc/43/31/72/569433172.db2.gz MRKDQAIPKLSDRN-FUHWJXTLSA-N 0 0 400.544 4.586 50 0 HJAARN O=C(NCc1ccccn1)c1sccc1Oc1ncc(C(F)(F)F)cc1Cl ZINC000263639749 571043545 /nfs/dbraw/zinc/04/35/45/571043545.db2.gz HEOCTEOQLYWPTQ-UHFFFAOYSA-N 0 0 413.808 4.933 50 0 HJAARN CC[C@@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1cc(Cl)ccc1C ZINC000067238884 571051398 /nfs/dbraw/zinc/05/13/98/571051398.db2.gz UPLLGGACOUCNLH-CYBMUJFWSA-N 0 0 418.950 4.697 50 0 HJAARN CC[C@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1cc(Cl)ccc1C ZINC000067238885 571051602 /nfs/dbraw/zinc/05/16/02/571051602.db2.gz UPLLGGACOUCNLH-ZDUSSCGKSA-N 0 0 418.950 4.697 50 0 HJAARN CC[C@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1c(C)cccc1Cl ZINC000067239161 571051681 /nfs/dbraw/zinc/05/16/81/571051681.db2.gz GOKISJFEUTYBHX-ZDUSSCGKSA-N 0 0 418.950 4.697 50 0 HJAARN COc1ccccc1-c1noc(-c2cn(-c3ccc(F)cc3)c(=O)c3ccccc23)n1 ZINC000067245362 571054029 /nfs/dbraw/zinc/05/40/29/571054029.db2.gz LOOWAKKBPCZEBO-UHFFFAOYSA-N 0 0 413.408 4.855 50 0 HJAARN Clc1ccc(-c2nnc(Cc3nc(-c4ccc(Br)cc4)no3)o2)cc1 ZINC000067246230 571054324 /nfs/dbraw/zinc/05/43/24/571054324.db2.gz ODEYYDHHGGLRDM-UHFFFAOYSA-N 0 0 417.650 4.793 50 0 HJAARN COc1cccc(Cn2c(=O)c3ccccc3nc2SCCc2ccccc2)c1 ZINC000067258750 571057933 /nfs/dbraw/zinc/05/79/33/571057933.db2.gz PRIARZYWMYOXNR-UHFFFAOYSA-N 0 0 402.519 4.788 50 0 HJAARN COc1ccc(OC)c(-n2c(=O)c3ccccc3nc2SCc2ccccc2F)c1 ZINC000067258955 571058149 /nfs/dbraw/zinc/05/81/49/571058149.db2.gz ARVSNSJXLUUADQ-UHFFFAOYSA-N 0 0 422.481 4.834 50 0 HJAARN C[C@H](NC(=O)c1nnn(-c2ccccc2Cl)c1-c1cccnc1)c1ccc(F)cc1 ZINC000067261294 571060154 /nfs/dbraw/zinc/06/01/54/571060154.db2.gz JYUITEPUBXXLCM-AWEZNQCLSA-N 0 0 421.863 4.613 50 0 HJAARN COc1cccc(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)c1 ZINC000067289681 571066443 /nfs/dbraw/zinc/06/64/43/571066443.db2.gz IIUCYMLQYYTXEJ-UHFFFAOYSA-N 0 0 418.522 4.753 50 0 HJAARN O=C(NC[C@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1cccc(Cl)c1 ZINC000067292955 571068787 /nfs/dbraw/zinc/06/87/87/571068787.db2.gz KSSTWCZKZJJLRA-PVCXERSVSA-N 0 0 417.292 4.881 50 0 HJAARN COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(F)cc3F)oc21 ZINC000067293538 571069150 /nfs/dbraw/zinc/06/91/50/571069150.db2.gz VYRJCAZPAOCLQD-ROMGYVFFSA-N 0 0 407.376 4.599 50 0 HJAARN Cc1cc(Cl)ccc1/N=c1\oc2cc(O)ccc2cc1C(=O)Nc1ccccn1 ZINC000067293372 571069187 /nfs/dbraw/zinc/06/91/87/571069187.db2.gz HDLITTCURMLEDC-LVWGJNHUSA-N 0 0 405.841 4.980 50 0 HJAARN Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(F)c(C)c2)nc1 ZINC000067294402 571069679 /nfs/dbraw/zinc/06/96/79/571069679.db2.gz ZFIPHIUBRDEXTA-RWEWTDSWSA-N 0 0 403.413 4.774 50 0 HJAARN CCOC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)cc1 ZINC000067296058 571070842 /nfs/dbraw/zinc/07/08/42/571070842.db2.gz VUHRMZAVQUVHGV-GFMRDNFCSA-N 0 0 419.462 4.551 50 0 HJAARN COc1cc(-c2nnc(SCCOc3ccc(Cl)cc3)o2)cc(OC)c1OC ZINC000008587157 571083637 /nfs/dbraw/zinc/08/36/37/571083637.db2.gz FXBTYEBZFJUNKT-UHFFFAOYSA-N 0 0 422.890 4.587 50 0 aggregator HJAARN Cc1cccc(O[C@H](C)C(=O)Nc2nonc2-c2ccc(Br)cc2)c1C ZINC000008587458 571083842 /nfs/dbraw/zinc/08/38/42/571083842.db2.gz FYJXEWQNFXNMBL-CYBMUJFWSA-N 0 0 416.275 4.522 50 0 HJAARN O=C(CSc1nncn2c3ccsc3cc12)Nc1ccccc1C(F)(F)F ZINC000008588943 571084888 /nfs/dbraw/zinc/08/48/88/571084888.db2.gz ZPKGWBHYYZYUOM-UHFFFAOYSA-N 0 0 408.430 4.694 50 0 HJAARN COc1ccc2c(c1)n(Cc1ccc(F)cc1)c(C(=O)[O-])c2C[NH2+]Cc1cccs1 ZINC000008588860 571084892 /nfs/dbraw/zinc/08/48/92/571084892.db2.gz IXCFGMDBXRYLKA-UHFFFAOYSA-N 0 0 424.497 4.887 50 0 HJAARN CCc1nnc(S[C@H](CC)C(=O)Nc2cccc(OC)c2)c2cc3oc(C)cc3n21 ZINC000008588938 571084901 /nfs/dbraw/zinc/08/49/01/571084901.db2.gz DZPPFLSXPVXIDU-LJQANCHMSA-N 0 0 424.526 4.864 50 0 HJAARN O=C(NC1CCCCCC1)c1ccc(C[S@@](=O)c2ccc(Br)cc2)o1 ZINC000008597131 571087932 /nfs/dbraw/zinc/08/79/32/571087932.db2.gz FZCSVKJSBIIDEW-VWLOTQADSA-N 0 0 424.360 4.803 50 0 HJAARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(S(C)(=O)=O)cc4)cc3)sc2c1 ZINC000008598789 571088698 /nfs/dbraw/zinc/08/86/98/571088698.db2.gz ZMYREXSXCZLDKG-UHFFFAOYSA-N 0 0 422.531 4.928 50 0 HJAARN CCN(CC)c1ccc(NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)c(C)c1 ZINC000008602217 571090878 /nfs/dbraw/zinc/09/08/78/571090878.db2.gz SDIODVYZNLZJTA-UHFFFAOYSA-N 0 0 413.543 4.914 50 0 aggregator HJAARN COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccc(F)cc1F ZINC000008605290 571091912 /nfs/dbraw/zinc/09/19/12/571091912.db2.gz FQDRIQCAURJORT-UHFFFAOYSA-N 0 0 423.462 4.589 50 0 HJAARN C[C@@]1(C(=O)NC2CCCCC2)Cc2ccccc2C(=O)N1Cc1ccc(Cl)cc1 ZINC000008610006 571093931 /nfs/dbraw/zinc/09/39/31/571093931.db2.gz PEZHPOMRYILSDE-DEOSSOPVSA-N 0 0 410.945 4.746 50 0 HJAARN CCOC(=O)c1ccccc1NC(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C ZINC000008611103 571094700 /nfs/dbraw/zinc/09/47/00/571094700.db2.gz UCXNINCQXPVXEI-UHFFFAOYSA-N 0 0 423.469 4.939 50 0 HJAARN COc1ccccc1-c1nn(CCC(=O)Nc2ccccc2)c2nc(C)cc(C)c12 ZINC000008611551 571094760 /nfs/dbraw/zinc/09/47/60/571094760.db2.gz HTDYNJBAHNCARH-UHFFFAOYSA-N 0 0 400.482 4.753 50 0 HJAARN Brc1ccc(-c2nc3nc4ccccc4nc3n2C[C@@H]2CCCO2)cc1 ZINC000008617129 571095759 /nfs/dbraw/zinc/09/57/59/571095759.db2.gz OYKUZQCVUUMMKU-HNNXBMFYSA-N 0 0 409.287 4.588 50 0 HJAARN O=C(OCc1cccc(C(F)(F)F)c1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000008668592 571100019 /nfs/dbraw/zinc/10/00/19/571100019.db2.gz PPOVGSOGMQNZSX-UHFFFAOYSA-N 0 0 424.378 4.762 50 0 HJAARN Cc1cccc2sc(NC(=O)Cc3csc(NC(=O)c4cccs4)n3)nc21 ZINC000008704383 571102905 /nfs/dbraw/zinc/10/29/05/571102905.db2.gz QSNQGFOMYBIYHX-UHFFFAOYSA-N 0 0 414.537 4.556 50 0 HJAARN NC(=O)c1ccc(NC(=O)c2oc3ccccc3c2-c2cnn(-c3ccccc3)c2)cc1 ZINC000008705244 571103223 /nfs/dbraw/zinc/10/32/23/571103223.db2.gz SYSNXLKCFVTGJU-UHFFFAOYSA-N 0 0 422.444 4.637 50 0 HJAARN C[C@H](NC(=O)CNc1ccccc1C(=O)NCc1ccccc1)c1ccc(Cl)cc1 ZINC000008707387 571103928 /nfs/dbraw/zinc/10/39/28/571103928.db2.gz MJJVHOABGFGGHI-KRWDZBQOSA-N 0 0 421.928 4.559 50 0 HJAARN COc1ccc(-c2nnc(S[C@H](C)C(=O)c3c[nH]c4ccccc43)o2)c(OC)c1 ZINC000008707632 571104072 /nfs/dbraw/zinc/10/40/72/571104072.db2.gz WSVBYGYVNGOIKI-GFCCVEGCSA-N 0 0 409.467 4.599 50 0 HJAARN C[C@@H](Sc1nc(-c2ccc(Br)cc2)c[nH]1)C(=O)NC1CCCCC1 ZINC000008719799 571106777 /nfs/dbraw/zinc/10/67/77/571106777.db2.gz VMHFKNHJCRXVLJ-GFCCVEGCSA-N 0 0 408.365 4.769 50 0 HJAARN CCCNc1nnc(SCc2nc3sc4c(c3c(N)n2)CCCCC4)s1 ZINC000008747381 571111380 /nfs/dbraw/zinc/11/13/80/571111380.db2.gz DLJMFXIZVARQOD-UHFFFAOYSA-N 0 0 406.606 4.508 50 0 HJAARN COc1ccc([C@@H]2CCCN2C(=O)c2csc(-c3cccs3)n2)c(OC)c1 ZINC000008751764 571112506 /nfs/dbraw/zinc/11/25/06/571112506.db2.gz NGNUHHZGTZVQQP-INIZCTEOSA-N 0 0 400.525 4.866 50 0 HJAARN Cc1cc(C)cc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)c1 ZINC000008755158 571113350 /nfs/dbraw/zinc/11/33/50/571113350.db2.gz JZXKLGBKMONTJX-OAQYLSRUSA-N 0 0 417.534 4.826 50 0 HJAARN Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N[C@H](C)CCc3ccco3)c(C)c21 ZINC000008764530 571115102 /nfs/dbraw/zinc/11/51/02/571115102.db2.gz QZYYRKCQPLZJFQ-OAHLLOKOSA-N 0 0 407.466 4.737 50 0 biogenic HJAARN CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(CC)cc1)cc2Cl ZINC000008765707 571115698 /nfs/dbraw/zinc/11/56/98/571115698.db2.gz ORZKLIGFDKZADC-UHFFFAOYSA-N 0 0 421.902 4.935 50 0 HJAARN Cc1ccc(C2=NN(c3nc(-c4cccc(O)c4)cs3)[C@](O)(C(F)(F)F)C2)cc1 ZINC000008770012 571116850 /nfs/dbraw/zinc/11/68/50/571116850.db2.gz LYNQCUMAOIZJKL-LJQANCHMSA-N 0 0 419.428 4.689 50 0 HJAARN Cc1nc(NC(=O)Nc2cccc(C)c2)sc1C(=O)NCCCc1ccccc1 ZINC000008770996 571117189 /nfs/dbraw/zinc/11/71/89/571117189.db2.gz ZAECJOUNPOQTCJ-UHFFFAOYSA-N 0 0 408.527 4.767 50 0 HJAARN O=C(CCS(=O)(=O)c1ccccc1)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000008830503 571122727 /nfs/dbraw/zinc/12/27/27/571122727.db2.gz BRNBEKWEYYNKAH-UHFFFAOYSA-N 0 0 422.531 4.766 50 0 HJAARN CC(C)CN1c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2CCC1=O ZINC000008840831 571124103 /nfs/dbraw/zinc/12/41/03/571124103.db2.gz XJHABNHKHZIEHQ-UHFFFAOYSA-N 0 0 408.523 4.576 50 0 HJAARN COC(=O)c1c(-c2cccs2)csc1NC(=O)COc1cccc(Cl)c1 ZINC000008844215 571124838 /nfs/dbraw/zinc/12/48/38/571124838.db2.gz DCLMJZRSJKIUKQ-UHFFFAOYSA-N 0 0 407.900 4.934 50 0 HJAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1Cc1ccncc1 ZINC000008845961 571125776 /nfs/dbraw/zinc/12/57/76/571125776.db2.gz SMWNMKBQCHOIFS-HXUWFJFHSA-N 0 0 402.837 4.587 50 0 HJAARN Cc1cc(Nc2ccc(S(=O)(=O)NC(C)C)cc2)c2ccc(C(F)(F)F)cc2n1 ZINC000008870914 571130253 /nfs/dbraw/zinc/13/02/53/571130253.db2.gz DYZCTSYQZSYCPH-UHFFFAOYSA-N 0 0 423.460 4.992 50 0 HJAARN COc1ccc([C@@H]2CCCCCN2C(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 ZINC000008879144 571130734 /nfs/dbraw/zinc/13/07/34/571130734.db2.gz CVEWXPYKAOEYGA-PZJWPPBQSA-N 0 0 410.539 4.642 50 0 HJAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1cccc(N2CCCC2=O)c1 ZINC000008879334 571131116 /nfs/dbraw/zinc/13/11/16/571131116.db2.gz XERUCPVBJSZCDS-UHFFFAOYSA-N 0 0 408.885 4.999 50 0 HJAARN COC(=O)c1ccc(Nc2nc3ccccc3c(Nc3ccc(OC)cc3)n2)cc1 ZINC000039370715 571131765 /nfs/dbraw/zinc/13/17/65/571131765.db2.gz FLTGJXUQQOUGBJ-UHFFFAOYSA-N 0 0 400.438 4.912 50 0 HJAARN COc1ccc(Cc2nnc(Sc3ncc(C(F)(F)F)cc3Cl)o2)cc1 ZINC000040023364 571139437 /nfs/dbraw/zinc/13/94/37/571139437.db2.gz IPUYCHHSFYMLFU-UHFFFAOYSA-N 0 0 401.797 4.887 50 0 HJAARN Cc1noc(C)c1CSCC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000040040613 571142820 /nfs/dbraw/zinc/14/28/20/571142820.db2.gz JOQUZRIPQPBWDM-UHFFFAOYSA-N 0 0 410.499 4.807 50 0 HJAARN Cc1nc2scc(-c3cccs3)c2c(=O)n1CC(=O)Nc1ccc2c(c1)CCC2 ZINC000008899907 571143609 /nfs/dbraw/zinc/14/36/09/571143609.db2.gz PZVLRVYLSJFYLB-UHFFFAOYSA-N 0 0 421.547 4.622 50 0 HJAARN Cc1nc(-c2ccc(CNC(=O)c3cccc(Nc4ncccn4)c3)cc2)cs1 ZINC000040060177 571146902 /nfs/dbraw/zinc/14/69/02/571146902.db2.gz MQLPWGUBSAAUCT-UHFFFAOYSA-N 0 0 401.495 4.582 50 0 HJAARN CCC[C@@H](C(=O)N(C)Cc1ccc(C(=O)NCC(F)(F)F)cc1)c1ccccc1 ZINC000040060416 571147242 /nfs/dbraw/zinc/14/72/42/571147242.db2.gz URVARCLTDRVSPE-LJQANCHMSA-N 0 0 406.448 4.521 50 0 HJAARN O=C(Oc1ccccc1Cc1ccccc1)C1CCN(C(=O)c2ccsc2)CC1 ZINC000040062636 571147763 /nfs/dbraw/zinc/14/77/63/571147763.db2.gz OIPWVWVGQRJLOO-UHFFFAOYSA-N 0 0 405.519 4.797 50 0 HJAARN Cc1cc(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c(C)n1C1CCCCC1 ZINC000040080419 571155436 /nfs/dbraw/zinc/15/54/36/571155436.db2.gz SQWOQMRPZLOANQ-QGZVFWFLSA-N 0 0 416.587 4.847 50 0 HJAARN Cc1cc(CSc2ncccc2C(=O)N[C@@H](C)Cc2ccc(Cl)cc2)no1 ZINC000040112176 571170211 /nfs/dbraw/zinc/17/02/11/571170211.db2.gz BDABQYDPPXGCAO-ZDUSSCGKSA-N 0 0 401.919 4.685 50 0 HJAARN CN(CC(=O)Nc1ccccc1Oc1ccccc1)Cc1cnn(-c2ccccc2)c1 ZINC000008945400 571171784 /nfs/dbraw/zinc/17/17/84/571171784.db2.gz FGPDDIWAAFFVAS-UHFFFAOYSA-N 0 0 412.493 4.735 50 0 HJAARN Cc1c(C(=O)Nc2cc3c(cc2Cl)OCCCO3)oc2c1C(=O)CC(C)(C)C2 ZINC000040115153 571172794 /nfs/dbraw/zinc/17/27/94/571172794.db2.gz AEOYMKFRFYMENH-UHFFFAOYSA-N 0 0 403.862 4.810 50 0 HJAARN COc1cc2nc(NC(=O)c3oc4c(c3C)C(=O)CC(C)(C)C4)sc2cc1OC ZINC000040115959 571173602 /nfs/dbraw/zinc/17/36/02/571173602.db2.gz XHJQTTSUEYZQHD-UHFFFAOYSA-N 0 0 414.483 4.622 50 0 HJAARN COc1ccccc1[C@H](C)N(C)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000040121793 571177807 /nfs/dbraw/zinc/17/78/07/571177807.db2.gz PCHBIBOVPVYHID-ULQDDVLXSA-N 0 0 415.509 4.673 50 0 HJAARN C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)c1nnnn1-c1ccccc1 ZINC000040127473 571179316 /nfs/dbraw/zinc/17/93/16/571179316.db2.gz CWZAGWIQRBUFBV-OAHLLOKOSA-N 0 0 419.558 4.609 50 0 HJAARN COc1ccc(OC)c(-c2csc(NC(=O)c3oc4c(c3C)C(=O)CCC4)n2)c1 ZINC000040129417 571180295 /nfs/dbraw/zinc/18/02/95/571180295.db2.gz BXCRTVKMZMAWNP-UHFFFAOYSA-N 0 0 412.467 4.500 50 0 HJAARN CCN1c2cc(NC(=O)Cc3cccc4ccccc43)ccc2OCC(C)(C)C1=O ZINC000008959498 571183051 /nfs/dbraw/zinc/18/30/51/571183051.db2.gz LOHUDXQCRLZTBL-UHFFFAOYSA-N 0 0 402.494 4.793 50 0 HJAARN COc1cccc(C(=O)Nc2ccc3c(c2)N(CCC(C)C)C(=O)C(C)(C)CO3)c1 ZINC000008959970 571184054 /nfs/dbraw/zinc/18/40/54/571184054.db2.gz ZMBUZBMOGPTSBC-UHFFFAOYSA-N 0 0 410.514 4.745 50 0 HJAARN Cn1ccnc1[C@H](NC(=O)CCOc1ccc(F)c(Cl)c1)c1ccc(Cl)cc1 ZINC000040131753 571184294 /nfs/dbraw/zinc/18/42/94/571184294.db2.gz RLPLPIILSFQCKX-LJQANCHMSA-N 0 0 422.287 4.541 50 0 HJAARN O=C(Nc1ccccc1Oc1ccccc1Cl)C1CCN(c2ncccn2)CC1 ZINC000040131932 571184561 /nfs/dbraw/zinc/18/45/61/571184561.db2.gz NQFGUZGGABSWMN-UHFFFAOYSA-N 0 0 408.889 4.777 50 0 HJAARN Cc1c(C(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)oc2c1C(=O)CCC2 ZINC000040134192 571186995 /nfs/dbraw/zinc/18/69/95/571186995.db2.gz QYBICUWHSXZIJS-MRXNPFEDSA-N 0 0 404.466 4.572 50 0 HJAARN Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1cc(C)ccc1F ZINC000040134537 571187762 /nfs/dbraw/zinc/18/77/62/571187762.db2.gz YXMJRCPGACKSEJ-UHFFFAOYSA-N 0 0 406.383 4.532 50 0 HJAARN O=C(c1nn(-c2ccc(F)cc2)c2c1CCC2)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000040135188 571188016 /nfs/dbraw/zinc/18/80/16/571188016.db2.gz SMLMNJMSEJWUDL-UHFFFAOYSA-N 0 0 419.475 4.959 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000040140121 571191296 /nfs/dbraw/zinc/19/12/96/571191296.db2.gz WZMSZVJWGJYZDL-UHFFFAOYSA-N 0 0 403.816 4.554 50 0 HJAARN CC(C)[C@@H](C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1)c1ccc(Cl)cc1 ZINC000008965950 571192305 /nfs/dbraw/zinc/19/23/05/571192305.db2.gz MZLYSQZWTOADPJ-QGZVFWFLSA-N 0 0 422.959 4.732 50 0 HJAARN CCC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1cc2cc(OC)ccc2nc1Cl ZINC000040142467 571193303 /nfs/dbraw/zinc/19/33/03/571193303.db2.gz WZZNQHGZSFCCNO-OAQYLSRUSA-N 0 0 423.900 4.993 50 0 HJAARN Cc1ccc(C)c(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2cccc3ccccc32)c1 ZINC000008969767 571194394 /nfs/dbraw/zinc/19/43/94/571194394.db2.gz ZKQKNNNIABOYIB-JOCHJYFZSA-N 0 0 401.535 4.888 50 0 HJAARN CC1CCC(NC(=O)c2ccccc2N(C)C(=O)c2ccc(Br)o2)CC1 ZINC000040144232 571194703 /nfs/dbraw/zinc/19/47/03/571194703.db2.gz VZOJCJBOVNAFGQ-UHFFFAOYSA-N 0 0 419.319 4.627 50 0 HJAARN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(N2CCCC2)c1 ZINC000040146362 571196226 /nfs/dbraw/zinc/19/62/26/571196226.db2.gz ZJZPTOWHCVJCJY-XMMPIXPASA-N 0 0 413.521 4.787 50 0 HJAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1nccn1Cc1ccccc1 ZINC000040151745 571199509 /nfs/dbraw/zinc/19/95/09/571199509.db2.gz NLQBMJZUNCATKM-UHFFFAOYSA-N 0 0 406.873 4.811 50 0 HJAARN O=C(Nc1ccccc1-c1nnc(-c2ccccc2)[nH]1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000040152019 571199702 /nfs/dbraw/zinc/19/97/02/571199702.db2.gz NQEXQXNEZPJHBR-HXUWFJFHSA-N 0 0 416.868 4.734 50 0 HJAARN Cc1ccn2cc(C(=O)N(C)CCCCCc3cc(-c4ccc(F)cc4)n[nH]3)nc2c1 ZINC000040156129 571203112 /nfs/dbraw/zinc/20/31/12/571203112.db2.gz PXIVNPFBUKUFAM-UHFFFAOYSA-N 0 0 419.504 4.657 50 0 HJAARN COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc(Cl)cc2Cl)N1C(C)=O ZINC000009034021 571213032 /nfs/dbraw/zinc/21/30/32/571213032.db2.gz GYQFWILJIYUNQM-ICSRJNTNSA-N 0 0 417.292 4.510 50 0 biogenic HJAARN CCC(=O)N1CCc2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2C1 ZINC000009035254 571213247 /nfs/dbraw/zinc/21/32/47/571213247.db2.gz OIAWPPVULGOCEK-UHFFFAOYSA-N 0 0 421.722 4.650 50 0 HJAARN O=C(Cn1c(-c2ccccc2)cc2ccccc21)Nc1nnc([C@@H]2CCCO2)s1 ZINC000040267217 571214280 /nfs/dbraw/zinc/21/42/80/571214280.db2.gz AQZPTOWBBSVAKS-IBGZPJMESA-N 0 0 404.495 4.650 50 0 HJAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 ZINC000009047124 571215634 /nfs/dbraw/zinc/21/56/34/571215634.db2.gz KLDYPXRCRYXCRR-WMLDXEAASA-N 0 0 412.820 4.567 50 0 HJAARN COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccccn4)ccc3c2C)cc1OC ZINC000009047143 571215645 /nfs/dbraw/zinc/21/56/45/571215645.db2.gz WQHTVSGXGSFDBY-UHFFFAOYSA-N 0 0 416.433 4.637 50 0 HJAARN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCCc2cccs2)c1 ZINC000009050547 571216022 /nfs/dbraw/zinc/21/60/22/571216022.db2.gz WLMJZGPRTPZLRA-UHFFFAOYSA-N 0 0 417.534 4.641 50 0 HJAARN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)c(C)c1 ZINC000009052535 571216409 /nfs/dbraw/zinc/21/64/09/571216409.db2.gz ULQRUXFKHDRYBG-GOSISDBHSA-N 0 0 420.534 4.696 50 0 HJAARN O=C(NCc1ccc(F)cc1)c1cn(Cc2ccccc2)nc1OCc1ccccc1 ZINC000009071535 571218454 /nfs/dbraw/zinc/21/84/54/571218454.db2.gz OZAASIKNYSSNMS-UHFFFAOYSA-N 0 0 415.468 4.580 50 0 HJAARN O=C(Nc1nc2c(s1)CCC[C@H]2C(=O)NCCC1=CCCCC1)c1ccccc1 ZINC000009071559 571218461 /nfs/dbraw/zinc/21/84/61/571218461.db2.gz MKDJXVHMDXTYCZ-GOSISDBHSA-N 0 0 409.555 4.822 50 0 HJAARN Clc1ccc(-c2csc3ncnc(NCCc4nnc5ccccn54)c23)cc1 ZINC000009112215 571223385 /nfs/dbraw/zinc/22/33/85/571223385.db2.gz NKKMAWIVVFYVHS-UHFFFAOYSA-N 0 0 406.902 4.709 50 0 HJAARN CCCN(CC)c1ccc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 ZINC000069380457 571224997 /nfs/dbraw/zinc/22/49/97/571224997.db2.gz MUOUKTDBGDAYKB-UHFFFAOYSA-N 0 0 419.569 4.620 50 0 HJAARN O=C(Cn1c(=O)sc2ccccc21)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000009130041 571227579 /nfs/dbraw/zinc/22/75/79/571227579.db2.gz CKUGEKPCNJRIGS-UHFFFAOYSA-N 0 0 420.334 4.739 50 0 HJAARN CCN1c2ccccc2Oc2ccc(NC(=O)COc3ccccc3C)cc2C1=O ZINC000009134723 571229442 /nfs/dbraw/zinc/22/94/42/571229442.db2.gz UNWQUZNHTVILIL-UHFFFAOYSA-N 0 0 402.450 4.785 50 0 HJAARN CC(C)[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)c1nc(-c2cccnc2)no1 ZINC000069560509 571230161 /nfs/dbraw/zinc/23/01/61/571230161.db2.gz XNTUOZGBPZOZSR-OAHLLOKOSA-N 0 0 405.380 4.669 50 0 HJAARN CC[C@H](C(=O)NCc1ccco1)n1c(SCc2ccc(F)cc2)nc2cccnc21 ZINC000009151382 571230319 /nfs/dbraw/zinc/23/03/19/571230319.db2.gz ANWNLMCDDWJXNF-LJQANCHMSA-N 0 0 424.501 4.723 50 0 HJAARN Cc1cccn2cc(CSc3nnc(-c4ccco4)n3Cc3ccccc3)nc12 ZINC000009156901 571231911 /nfs/dbraw/zinc/23/19/11/571231911.db2.gz SUQSTLFNOBOOPP-UHFFFAOYSA-N 0 0 401.495 4.835 50 0 HJAARN Cc1cc(C(=O)N(Cc2ccccn2)c2nc3c(ccc(Cl)c3C)s2)n(C)n1 ZINC000009200372 571236114 /nfs/dbraw/zinc/23/61/14/571236114.db2.gz HVFMFWBQVYAGDE-UHFFFAOYSA-N 0 0 411.918 4.542 50 0 HJAARN C[C@@H]1Sc2ccc(C(=O)Nc3ccc(-c4cn5ccsc5n4)cc3)cc2NC1=O ZINC000009219861 571238077 /nfs/dbraw/zinc/23/80/77/571238077.db2.gz NZIDEGINMZFKNP-LBPRGKRZSA-N 0 0 420.519 4.748 50 0 HJAARN Cc1ccccc1-n1cnnc1SCC(=O)Nc1ccccc1Cc1ccccc1 ZINC000009221009 571238276 /nfs/dbraw/zinc/23/82/76/571238276.db2.gz YVCJEAWMIUEGDB-UHFFFAOYSA-N 0 0 414.534 4.897 50 0 HJAARN CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2C)C1=O ZINC000009234037 571239776 /nfs/dbraw/zinc/23/97/76/571239776.db2.gz HBPMFRYEPCADCX-RBYWHNRPSA-N 0 0 424.522 4.847 50 0 HJAARN Cc1ccc(OCC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCCCC2)cc1C ZINC000009250754 571241963 /nfs/dbraw/zinc/24/19/63/571241963.db2.gz CROQLIKOHOFRQP-QFIPXVFZSA-N 0 0 400.950 4.679 50 0 HJAARN C=C1C(Nc2c(C)cccc2C)=NS(=O)(=O)C1c1cccc(Br)c1 ZINC000009251803 571242560 /nfs/dbraw/zinc/24/25/60/571242560.db2.gz ZQNUGPACDYTCNK-UHFFFAOYSA-N 0 0 405.317 4.651 50 0 HJAARN C=C1C(Nc2ccccc2CC)=NS(=O)(=O)C1c1cccc(Br)c1 ZINC000009251805 571242592 /nfs/dbraw/zinc/24/25/92/571242592.db2.gz BXAIBVJJZWSAOG-UHFFFAOYSA-N 0 0 405.317 4.597 50 0 HJAARN C[C@@H](NC(=O)C1CCN(C(=O)c2ccco2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000009253377 571242891 /nfs/dbraw/zinc/24/28/91/571242891.db2.gz RJNYLLRMTMXQLS-GOSISDBHSA-N 0 0 402.494 4.676 50 0 HJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(F)cc2)N1Cc1cccnc1 ZINC000009293590 571245853 /nfs/dbraw/zinc/24/58/53/571245853.db2.gz PSHFICVKAJQRQR-FQEVSTJZSA-N 0 0 420.827 4.726 50 0 HJAARN CC[C@@H](CO)Nc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 ZINC000009307258 571246802 /nfs/dbraw/zinc/24/68/02/571246802.db2.gz DGIJCEMBDIXXRZ-LBPRGKRZSA-N 0 0 424.526 4.534 50 0 HJAARN Cc1ccccc1NC(=O)Cn1c(=O)nc(-c2ccccc2F)c2cc(Cl)ccc21 ZINC000009327622 571248213 /nfs/dbraw/zinc/24/82/13/571248213.db2.gz ADQXSUBYOQWNQL-UHFFFAOYSA-N 0 0 421.859 4.803 50 0 HJAARN CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C)cc1 ZINC000009376405 571252759 /nfs/dbraw/zinc/25/27/59/571252759.db2.gz ABKPCYDVIZBXCU-KRWDZBQOSA-N 0 0 411.354 4.792 50 0 HJAARN O=c1[nH]c(CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)nc2ccsc21 ZINC000009390358 571254473 /nfs/dbraw/zinc/25/44/73/571254473.db2.gz MSWFCTFIFSCBEM-UHFFFAOYSA-N 0 0 424.985 4.907 50 0 HJAARN C[C@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000009402840 571254879 /nfs/dbraw/zinc/25/48/79/571254879.db2.gz HOCJPJCXPRVOAR-QMMMGPOBSA-N 0 0 416.644 4.560 50 0 HJAARN S=C(Nc1ccc(I)cc1)N1CCCC[C@H]1c1cccnc1 ZINC000009405000 571255284 /nfs/dbraw/zinc/25/52/84/571255284.db2.gz QOTVPVVMMCWYHH-INIZCTEOSA-N 0 0 423.323 4.610 50 0 HJAARN CCOc1ccc(-c2ncnc(C(F)(F)F)c2-c2ccc(OC)c(OC)c2)c(O)c1 ZINC000009409515 571255635 /nfs/dbraw/zinc/25/56/35/571255635.db2.gz JZGAYQPPJYTXMW-UHFFFAOYSA-N 0 0 420.387 4.951 50 0 HJAARN O=C(Nc1nnc(-c2ccc3c(c2)OCCO3)o1)c1cccc(Oc2ccccc2)c1 ZINC000009427765 571257986 /nfs/dbraw/zinc/25/79/86/571257986.db2.gz YSXXCTVYTFDEDY-UHFFFAOYSA-N 0 0 415.405 4.552 50 0 HJAARN CCN(Cc1ccccc1)C(=O)NCCCCCc1nc(-c2ccc(OC)cc2)no1 ZINC000009460308 571260373 /nfs/dbraw/zinc/26/03/73/571260373.db2.gz UNTUOVHYODOZMV-UHFFFAOYSA-N 0 0 422.529 4.690 50 0 HJAARN O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000009464832 571260856 /nfs/dbraw/zinc/26/08/56/571260856.db2.gz QWPOFXVTICRKCR-UHFFFAOYSA-N 0 0 422.460 4.642 50 0 HJAARN c1sc(Nc2ccccc2)nc1CSc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000009469681 571261463 /nfs/dbraw/zinc/26/14/63/571261463.db2.gz OOLYEOUGSIATHK-UHFFFAOYSA-N 0 0 410.480 4.958 50 0 HJAARN Ic1ccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)o1 ZINC000009477420 571261716 /nfs/dbraw/zinc/26/17/16/571261716.db2.gz XFIKCNNCHKOQJH-GOSISDBHSA-N 0 0 413.218 4.873 50 0 HJAARN CCn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc(Br)s1 ZINC000009500303 571263354 /nfs/dbraw/zinc/26/33/54/571263354.db2.gz MPMZWYLTDDJNME-UHFFFAOYSA-N 0 0 422.373 4.688 50 0 HJAARN Cc1cc(C)c(S(=O)(=O)NCc2cccn2Cc2ccc(Cl)cc2)c(C)c1 ZINC000009527442 571266098 /nfs/dbraw/zinc/26/60/98/571266098.db2.gz HINBMDAQQSWUEH-UHFFFAOYSA-N 0 0 402.947 4.594 50 0 HJAARN Cc1ccsc1CN(C)C(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000009544949 571267562 /nfs/dbraw/zinc/26/75/62/571267562.db2.gz DKIQWLBAWDWJNZ-UHFFFAOYSA-N 0 0 402.523 4.636 50 0 HJAARN O=C(CCCc1ccccc1)NCCc1csc2nc(-c3ccc(Cl)cc3)nn12 ZINC000009568949 571268568 /nfs/dbraw/zinc/26/85/68/571268568.db2.gz PQYGUBZCOWIIAA-UHFFFAOYSA-N 0 0 424.957 4.793 50 0 HJAARN Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)[C@@H](C)Oc3ccccc3)cc2)n1 ZINC000009573341 571269239 /nfs/dbraw/zinc/26/92/39/571269239.db2.gz HJYKBRIKCZGQLS-GOSISDBHSA-N 0 0 417.513 4.535 50 0 HJAARN COc1cccc(Nc2nc(NCc3cccnc3)nc3c2cnn3-c2ccccc2)c1 ZINC000009573616 571269391 /nfs/dbraw/zinc/26/93/91/571269391.db2.gz LEOPSGQUEXYTPB-UHFFFAOYSA-N 0 0 423.480 4.575 50 0 HJAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)CSc1ncnc2sccc21 ZINC000009578655 571270037 /nfs/dbraw/zinc/27/00/37/571270037.db2.gz VTGSFRHIUVPVSI-LLVKDONJSA-N 0 0 400.554 4.613 50 0 HJAARN C[C@H](Nc1ccc(I)cc1)c1nnc(-c2ccc(F)cc2)o1 ZINC000009587908 571271533 /nfs/dbraw/zinc/27/15/33/571271533.db2.gz FBMJBQTUSBIXQV-JTQLQIEISA-N 0 0 409.202 4.653 50 0 HJAARN CCc1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000009589529 571271581 /nfs/dbraw/zinc/27/15/81/571271581.db2.gz SNSKVBBXLFAXIF-UHFFFAOYSA-N 0 0 421.880 4.929 50 0 HJAARN O=C(CSc1ccc2c(c1)OCCO2)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000009592069 571271837 /nfs/dbraw/zinc/27/18/37/571271837.db2.gz QILGCIWUKJPJMV-MRXNPFEDSA-N 0 0 412.536 4.523 50 0 HJAARN C[C@H]1Oc2ccc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)cc2NC1=O ZINC000009592874 571271994 /nfs/dbraw/zinc/27/19/94/571271994.db2.gz ARUMWNKVNOWQSI-MRXNPFEDSA-N 0 0 424.460 4.511 50 0 HJAARN Cn1ccc2ccc(C(=O)N3CCc4[nH]c5c(cccc5Br)c4C3)cc21 ZINC000070666383 571272127 /nfs/dbraw/zinc/27/21/27/571272127.db2.gz RXKOPTIWHBMZGA-UHFFFAOYSA-N 0 0 408.299 4.621 50 0 biogenic HJAARN Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)c3ccccc3n2)o1 ZINC000009596749 571272392 /nfs/dbraw/zinc/27/23/92/571272392.db2.gz ATRIBQMTAGPZGV-AWEZNQCLSA-N 0 0 413.433 4.775 50 0 HJAARN COc1cc2c(cc1NC(=O)COC(=O)[C@]1(C)CC1(Cl)Cl)oc1ccccc12 ZINC000009631216 571274675 /nfs/dbraw/zinc/27/46/75/571274675.db2.gz PQPDAUGRHONLRV-IBGZPJMESA-N 0 0 422.264 4.660 50 0 HJAARN COc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)c1 ZINC000009632440 571274906 /nfs/dbraw/zinc/27/49/06/571274906.db2.gz BYIMICASKBLHBO-UHFFFAOYSA-N 0 0 422.535 4.735 50 0 HJAARN Cc1c(-c2nsc(NC(=O)c3ccc(Cl)cc3)n2)nnn1-c1cc(C)ccc1C ZINC000009638205 571275305 /nfs/dbraw/zinc/27/53/05/571275305.db2.gz LNJJBVGWTYUITN-UHFFFAOYSA-N 0 0 424.917 4.617 50 0 HJAARN Cc1nnc(SCC(=O)Nc2ccc(N3CCCCCC3)cc2)n1-c1ccccc1 ZINC000009643568 571276010 /nfs/dbraw/zinc/27/60/10/571276010.db2.gz XGFMEAUPVCJKJR-UHFFFAOYSA-N 0 0 421.570 4.687 50 0 HJAARN COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4F)cc(=O)c3c2)cc1OC ZINC000009660197 571277209 /nfs/dbraw/zinc/27/72/09/571277209.db2.gz RXOZHMCVHODZJC-UHFFFAOYSA-N 0 0 419.408 4.869 50 0 HJAARN Cc1ccc(N([C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)S(C)(=O)=O)cc1 ZINC000009667986 571278256 /nfs/dbraw/zinc/27/82/56/571278256.db2.gz AWPIXYTYCRTPCF-GOSISDBHSA-N 0 0 424.522 4.581 50 0 HJAARN CCc1cccc2c(C(=O)CSc3nnc([C@H]4COc5ccccc5O4)o3)c[nH]c21 ZINC000009683345 571279321 /nfs/dbraw/zinc/27/93/21/571279321.db2.gz MBQQHAAYVPHFTP-LJQANCHMSA-N 0 0 421.478 4.601 50 0 HJAARN CCc1cc2c(cc1S(=O)(=O)Nc1cccc(SC)c1)[nH]c1c2C(=O)CCC1 ZINC000009685936 571279962 /nfs/dbraw/zinc/27/99/62/571279962.db2.gz CWVRBPGUDCOVAS-UHFFFAOYSA-N 0 0 414.552 4.772 50 0 HJAARN Cc1sc2nc(CSc3ncc(C(F)(F)F)cc3Cl)[nH]c(=O)c2c1C ZINC000009703904 571280664 /nfs/dbraw/zinc/28/06/64/571280664.db2.gz MILDCSUNKDYZHV-UHFFFAOYSA-N 0 0 405.854 4.961 50 0 HJAARN O=C(NCCCCOc1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000009721577 571281853 /nfs/dbraw/zinc/28/18/53/571281853.db2.gz RWNKYTPIQJQDLV-NRFANRHFSA-N 0 0 410.514 4.554 50 0 HJAARN COc1cc(OC)c(NC(=O)NCc2cccn2Cc2cccc(F)c2)cc1Cl ZINC000009722294 571281930 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ZINC000040484992 527474770 /nfs/dbraw/zinc/47/47/70/527474770.db2.gz UPRNSUPPSFARPW-UHFFFAOYSA-N 0 0 404.832 4.552 50 0 HJAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCC(=O)Nc3c(C)cccc3C)cc(C)c12 ZINC000045990800 527523969 /nfs/dbraw/zinc/52/39/69/527523969.db2.gz CKJAHYYMCZZCPY-UHFFFAOYSA-N 0 0 414.509 4.980 50 0 HJAARN O=C(Nc1nn(-c2cccc(F)c2)c2cccc(Oc3cccnc3)c12)c1ccon1 ZINC000072430787 527530338 /nfs/dbraw/zinc/53/03/38/527530338.db2.gz VZXUIIATNJQPAY-UHFFFAOYSA-N 0 0 415.384 4.592 50 0 HJAARN Cc1nn(-c2cccc(F)c2)c2nc(OCC(=O)Nc3ccc(F)cc3C)cc(C)c12 ZINC000045991019 527535604 /nfs/dbraw/zinc/53/56/04/527535604.db2.gz PYQXNVHDNKCPGT-UHFFFAOYSA-N 0 0 422.435 4.641 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1nc(-c2ccccn2)cs1 ZINC000007737656 527540226 /nfs/dbraw/zinc/54/02/26/527540226.db2.gz LALZSFQDAFEZDZ-UHFFFAOYSA-N 0 0 403.511 4.579 50 0 HJAARN Cc1nn(C)c2nc(O[C@H](C)C(=O)Nc3ccc(C(C)C)cc3)cc(C(F)(F)F)c12 ZINC000045992698 527684846 /nfs/dbraw/zinc/68/48/46/527684846.db2.gz PTSATJWGRKJDBH-CYBMUJFWSA-N 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/nfs/dbraw/zinc/66/51/70/536665170.db2.gz CUAWXLDALOKYJQ-RCCKNPSSSA-N 0 0 414.461 4.652 50 0 HJAARN COc1ccccc1N1CCN(C(=O)c2sc3cc(F)ccc3c2Cl)CC1 ZINC000002696147 537068001 /nfs/dbraw/zinc/06/80/01/537068001.db2.gz QKXKCSBCCPNQGQ-UHFFFAOYSA-N 0 0 404.894 4.665 50 0 HJAARN COc1cccc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)c1OC ZINC000003385629 537088594 /nfs/dbraw/zinc/08/85/94/537088594.db2.gz KDZRBMWHJCLJLE-UHFFFAOYSA-N 0 0 421.474 4.690 50 0 HJAARN Cn1c(SCc2ccc(C(=O)Nc3ccccc3F)cc2)nnc1-c1ccncc1 ZINC000000624850 557021522 /nfs/dbraw/zinc/02/15/22/557021522.db2.gz YVSHXRHBPPXZLP-UHFFFAOYSA-N 0 0 419.485 4.561 50 0 HJAARN CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1C ZINC000000629283 557024897 /nfs/dbraw/zinc/02/48/97/557024897.db2.gz PJLHXMDGZQAADM-LJQANCHMSA-N 0 0 419.308 4.749 50 0 HJAARN O=c1oc2cc(OCc3cc4c(cc3Cl)OCO4)c(Cl)cc2c2c1CCC2 ZINC000000630247 557026111 /nfs/dbraw/zinc/02/61/11/557026111.db2.gz LTNWVYQBGHWGGF-UHFFFAOYSA-N 0 0 405.233 4.896 50 0 HJAARN COc1cccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(C)cc2)N2NC=NC2=N3)c1 ZINC000000635843 557029395 /nfs/dbraw/zinc/02/93/95/557029395.db2.gz TUPLZYHCEXMIBU-DQEYMECFSA-N 0 0 422.488 4.808 50 0 HJAARN CCOC(=O)c1cc(C(=O)c2cccc(OC)c2)n2cnc(-c3ccccc3F)cc12 ZINC000000638982 557031194 /nfs/dbraw/zinc/03/11/94/557031194.db2.gz LFWZENWSLXEKHQ-UHFFFAOYSA-N 0 0 418.424 4.557 50 0 HJAARN Cc1cccc(-c2nc3c(c(SCC(=O)NCc4ccccc4)n2)CCCC3)c1 ZINC000000643769 557033998 /nfs/dbraw/zinc/03/39/98/557033998.db2.gz DWFLFJFQLPBFCD-UHFFFAOYSA-N 0 0 403.551 4.739 50 0 HJAARN C[C@@H]1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccccc2)N3)[C@@H](C)C1 ZINC000000647401 557037051 /nfs/dbraw/zinc/03/70/51/557037051.db2.gz RITNIPPOVKZPDM-KKBFJZEXSA-N 0 0 406.452 4.804 50 0 HJAARN COc1ccc(CCN2C(=O)CS[C@H]2c2ccc(Cl)c(Cl)c2)cc1OC ZINC000000647177 557037098 /nfs/dbraw/zinc/03/70/98/557037098.db2.gz YYQYKWRLOOUWOT-IBGZPJMESA-N 0 0 412.338 4.827 50 0 HJAARN Cc1sc(NC(=S)NC(=O)c2cccnc2)nc1-c1ccc(CC(C)C)cc1 ZINC000000653897 557040184 /nfs/dbraw/zinc/04/01/84/557040184.db2.gz WBTLAMJQXZOYFS-UHFFFAOYSA-N 0 0 410.568 4.839 50 0 HJAARN COC(=O)c1c2c(sc1NC(=O)c1cc3ccccc3oc1=O)CCCCCC2 ZINC000000657036 557041630 /nfs/dbraw/zinc/04/16/30/557041630.db2.gz NKSTUPNNXYXPPM-UHFFFAOYSA-N 0 0 411.479 4.552 50 0 HJAARN Nc1c2ccc(-c3ccc4c(c3)OCO4)nc2sc1C(=O)Nc1ccc(F)cc1 ZINC000000661478 557043554 /nfs/dbraw/zinc/04/35/54/557043554.db2.gz ISSSYCYKSMWTDR-UHFFFAOYSA-N 0 0 407.426 4.666 50 0 HJAARN Cc1sc(NC(=O)Cc2ccc(Br)cc2)c(C(=O)OC(C)C)c1C ZINC000000668409 557047235 /nfs/dbraw/zinc/04/72/35/557047235.db2.gz FWUDXMUFGCNFIJ-UHFFFAOYSA-N 0 0 410.333 4.874 50 0 HJAARN COC(=O)c1c(C)c(C(=O)Nc2ccccc2C)sc1NC(=O)Cc1ccccc1 ZINC000000668833 557047493 /nfs/dbraw/zinc/04/74/93/557047493.db2.gz XQYQYMFZSHZSLQ-UHFFFAOYSA-N 0 0 422.506 4.585 50 0 HJAARN NC(=O)c1ccccc1NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21 ZINC000000669412 557047857 /nfs/dbraw/zinc/04/78/57/557047857.db2.gz QBEOCZGQBCFVKU-UHFFFAOYSA-N 0 0 401.853 4.906 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1 ZINC000000671237 557049448 /nfs/dbraw/zinc/04/94/48/557049448.db2.gz FATUTNPXMGQNPV-UHFFFAOYSA-N 0 0 413.271 4.578 50 0 HJAARN COc1ccc(/C=C2/N=C(c3cccc4ccccc43)OC2=O)cc1OC(=O)C(C)C ZINC000000672814 557049998 /nfs/dbraw/zinc/04/99/98/557049998.db2.gz HOSNSAWVAUJIKN-DEDYPNTBSA-N 0 0 415.445 4.754 50 0 HJAARN Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cc(C)cc3C)cc2)c1 ZINC000000673744 557050762 /nfs/dbraw/zinc/05/07/62/557050762.db2.gz CTNWJAOUEULWOH-UHFFFAOYSA-N 0 0 408.523 4.973 50 0 HJAARN COC(=O)c1c(NC(=O)c2ccc(C)c(Br)c2)sc2c1CCCC2 ZINC000000674463 557051404 /nfs/dbraw/zinc/05/14/04/557051404.db2.gz FYEFZPITVNKYFM-UHFFFAOYSA-N 0 0 408.317 4.737 50 0 HJAARN CC(C)NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000000674854 557051655 /nfs/dbraw/zinc/05/16/55/557051655.db2.gz FYVPFNWDTUUMHG-GXTWGEPZSA-N 0 0 421.250 4.988 50 0 HJAARN CCOc1ccccc1C(=O)Oc1ccc(OC(=O)c2ccccc2OCC)cc1 ZINC000000682436 557056558 /nfs/dbraw/zinc/05/65/58/557056558.db2.gz QFLLWFVDSPTVIH-UHFFFAOYSA-N 0 0 406.434 4.922 50 0 HJAARN CSc1nnc2c(n1)O[C@H](c1ccccc1)Nc1ccc(Br)cc1-2 ZINC000000683318 557057344 /nfs/dbraw/zinc/05/73/44/557057344.db2.gz QNRKQMLFSDYJBC-OAHLLOKOSA-N 0 0 401.289 4.526 50 0 HJAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1ccc(Cl)cc1 ZINC000000684283 557057684 /nfs/dbraw/zinc/05/76/84/557057684.db2.gz HETOKPFUPQIXHC-IBGZPJMESA-N 0 0 412.902 4.748 50 0 HJAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1cccc(Cl)c1 ZINC000000684280 557057763 /nfs/dbraw/zinc/05/77/63/557057763.db2.gz PGNXPSCQXNRXQI-LJQANCHMSA-N 0 0 412.902 4.748 50 0 HJAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1ccc(Cl)cc1 ZINC000000684284 557057797 /nfs/dbraw/zinc/05/77/97/557057797.db2.gz HETOKPFUPQIXHC-LJQANCHMSA-N 0 0 412.902 4.748 50 0 HJAARN COc1cc(OC)nc(Oc2ccccc2COC(=O)c2cccc3ccccc32)n1 ZINC000000684961 557058387 /nfs/dbraw/zinc/05/83/87/557058387.db2.gz OAQOPKRAIUDKMK-UHFFFAOYSA-N 0 0 416.433 4.796 50 0 HJAARN CC[C@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 ZINC000000688749 557060024 /nfs/dbraw/zinc/06/00/24/557060024.db2.gz IZKLEGJMHLXSQK-PBHICJAKSA-N 0 0 414.571 4.794 50 0 HJAARN O=C(Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1ccccc1Br ZINC000000692555 557060924 /nfs/dbraw/zinc/06/09/24/557060924.db2.gz ZJORXGJUMGNDDZ-UHFFFAOYSA-N 0 0 421.250 4.502 50 0 HJAARN O=C(Nc1ccccn1)c1ccc2c(c1)C(=O)N(c1ccccc1-c1ccccc1)C2=O ZINC000000692407 557060986 /nfs/dbraw/zinc/06/09/86/557060986.db2.gz NTCXNTGOQQOKCH-UHFFFAOYSA-N 0 0 419.440 4.802 50 0 HJAARN Cc1cc(NC(=O)c2ccc(Br)cc2)ccc1I ZINC000000705674 557063658 /nfs/dbraw/zinc/06/36/58/557063658.db2.gz OSFVIIGGPJTVGQ-UHFFFAOYSA-N 0 0 416.056 4.614 50 0 HJAARN CC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)c1 ZINC000000707362 557064594 /nfs/dbraw/zinc/06/45/94/557064594.db2.gz MJTWTAIBBFSLJO-QULSYZCUSA-N 0 0 421.496 4.634 50 0 HJAARN C[C@@H](Oc1ccccc1)C(=O)Nc1cc(C(=O)NCCc2ccccc2)ccc1Cl ZINC000000713025 557066902 /nfs/dbraw/zinc/06/69/02/557066902.db2.gz XPZUYZOFOVOVOT-QGZVFWFLSA-N 0 0 422.912 4.719 50 0 HJAARN CC(=O)Oc1ccc(-c2ccc(C(=O)OCC(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000000716762 557068112 /nfs/dbraw/zinc/06/81/12/557068112.db2.gz CVRRJPZNUBULAU-UHFFFAOYSA-N 0 0 408.837 4.972 50 0 biogenic HJAARN COc1ccc(N[C@@H](NC(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 ZINC000000721795 557070896 /nfs/dbraw/zinc/07/08/96/557070896.db2.gz PXDRGPOVGPPARB-HNNXBMFYSA-N 0 0 408.112 4.887 50 0 HJAARN COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)cc4)nc3c2)cc1 ZINC000000724621 557072756 /nfs/dbraw/zinc/07/27/56/557072756.db2.gz PKDSRSMHXSWYIK-UHFFFAOYSA-N 0 0 417.490 4.939 50 0 HJAARN CCn1c(COc2cccc3cccnc32)nnc1SCC(=O)c1ccc(F)cc1 ZINC000000730205 557075039 /nfs/dbraw/zinc/07/50/39/557075039.db2.gz GEZGPPVPOBOXDV-UHFFFAOYSA-N 0 0 422.485 4.539 50 0 HJAARN Cc1cc2ccccc2n2c(SCC(=O)Nc3cccc(C(F)(F)F)c3)nnc12 ZINC000000783259 557079047 /nfs/dbraw/zinc/07/90/47/557079047.db2.gz YSMHDGMVBZEXJE-UHFFFAOYSA-N 0 0 416.428 4.941 50 0 HJAARN CCSc1nnc2c(n1)O[C@H](c1ccco1)Nc1ccc(Br)cc1-2 ZINC000000795645 557083070 /nfs/dbraw/zinc/08/30/70/557083070.db2.gz RSBXJVOQVLOJOU-CQSZACIVSA-N 0 0 405.277 4.509 50 0 HJAARN COC(=O)c1ccc([C@H]2CC(=O)Nc3c4ccccc4c(Br)cc32)cc1 ZINC000000801146 557085269 /nfs/dbraw/zinc/08/52/69/557085269.db2.gz JNZHJNVULVZWRQ-MRXNPFEDSA-N 0 0 410.267 4.863 50 0 biogenic,in-vitro HJAARN COc1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4o3)ccc2OC)cc1 ZINC000000803422 557085585 /nfs/dbraw/zinc/08/55/85/557085585.db2.gz QOUCUJLJQSMYSW-UHFFFAOYSA-N 0 0 404.422 4.530 50 0 HJAARN COc1cc([C@H]2CC(=O)Nc3cc4c(cc32)OCCO4)ccc1OCc1ccccc1 ZINC000000816267 557090753 /nfs/dbraw/zinc/09/07/53/557090753.db2.gz JTTNPCIGDLMFEC-GOSISDBHSA-N 0 0 417.461 4.520 50 0 HJAARN O=C(CSc1ncccn1)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 ZINC000000818856 557091807 /nfs/dbraw/zinc/09/18/07/557091807.db2.gz VPJUBNWNICBPDP-UHFFFAOYSA-N 0 0 411.339 4.562 50 0 HJAARN CCc1ccccc1N(CC(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccccc1 ZINC000000824358 557093210 /nfs/dbraw/zinc/09/32/10/557093210.db2.gz QKJTYXQWRBNYIR-UHFFFAOYSA-N 0 0 422.550 4.700 50 0 HJAARN COc1cc(NC(=O)c2cc3nc(-c4ccccc4)cc(C)n3n2)c(OC)cc1Cl ZINC000000829529 557095243 /nfs/dbraw/zinc/09/52/43/557095243.db2.gz GKJNTCDQOWNEDG-UHFFFAOYSA-N 0 0 422.872 4.628 50 0 HJAARN CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccccc2Cl)cc1 ZINC000000839821 557097415 /nfs/dbraw/zinc/09/74/15/557097415.db2.gz SVWYHWFTKRELCX-UHFFFAOYSA-N 0 0 414.914 4.559 50 0 HJAARN Cc1cc(C)cc(Nc2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cs2)c1 ZINC000000855371 557102445 /nfs/dbraw/zinc/10/24/45/557102445.db2.gz HFFJNRWQQUQIIM-UHFFFAOYSA-N 0 0 413.568 4.955 50 0 HJAARN O=C(Nc1cccc(O)c1)c1cnn2c1nc(-c1ccc(F)cc1)cc2C(F)(F)F ZINC000000862872 557104896 /nfs/dbraw/zinc/10/48/96/557104896.db2.gz VTOZHRLYZDNFFY-UHFFFAOYSA-N 0 0 416.334 4.512 50 0 HJAARN O=C(Nc1ccc(F)cc1F)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000000866717 557106283 /nfs/dbraw/zinc/10/62/83/557106283.db2.gz KNZXMOBTPOJPNI-HIFRSBDPSA-N 0 0 412.318 4.667 50 0 HJAARN COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1 ZINC000000882090 557110037 /nfs/dbraw/zinc/11/00/37/557110037.db2.gz KWNGSQXGSLABEC-UHFFFAOYSA-N 0 0 403.463 4.630 50 0 HJAARN CN(Cc1ccccc1)C(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000000883870 557110651 /nfs/dbraw/zinc/11/06/51/557110651.db2.gz TZSCYUZOLIOEDQ-UHFFFAOYSA-N 0 0 417.456 4.913 50 0 HJAARN C[C@@H]1CCCCN1C(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 ZINC000000890854 557112257 /nfs/dbraw/zinc/11/22/57/557112257.db2.gz MYDDWAHRZALIQI-GFCCVEGCSA-N 0 0 413.440 4.795 50 0 HJAARN O=C1[C@@H]2[C@@H](C(=O)N1CCc1c[nH]c3ccccc13)C1c3ccccc3C2c2ccccc21 ZINC000000894520 557113212 /nfs/dbraw/zinc/11/32/12/557113212.db2.gz QMKDCEVLLJXKLS-HDLCADABSA-N 0 0 418.496 4.603 50 0 HJAARN COc1ccc(Cl)cc1N1C(=O)C(Cl)=C(Nc2cccc(Cl)c2C)C1=O ZINC000000939174 557121106 /nfs/dbraw/zinc/12/11/06/557121106.db2.gz KTZHKHXTDBGPLM-UHFFFAOYSA-N 0 0 411.672 4.746 50 0 HJAARN O=C1C(Cl)=C(Nc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(Cl)cc1 ZINC000000947528 557123498 /nfs/dbraw/zinc/12/34/98/557123498.db2.gz FPKNXQLHSVKOLB-UHFFFAOYSA-N 0 0 401.171 4.795 50 0 HJAARN CCOC(=O)C1C(c2ccccc2)=Nc2ncnn2[C@H]1c1ccc(Cl)cc1Cl ZINC000000950966 557124020 /nfs/dbraw/zinc/12/40/20/557124020.db2.gz XOQWOCYVWGQYMM-SFHVURJKSA-N 0 0 415.280 4.574 50 0 HJAARN Cc1ccc(C(=O)N/C(=C/c2ccccc2Cl)C(=O)NCc2ccccc2)cc1 ZINC000000951612 557124651 /nfs/dbraw/zinc/12/46/51/557124651.db2.gz KQHFVCKIQOOBCN-PXLXIMEGSA-N 0 0 404.897 4.736 50 0 HJAARN Cc1ccc(-c2csc3ncn([C@@H](C)C(=O)OCc4ccccc4)c(=O)c23)cc1 ZINC000000951883 557124885 /nfs/dbraw/zinc/12/48/85/557124885.db2.gz VGYHKJIRLQCEOZ-INIZCTEOSA-N 0 0 404.491 4.738 50 0 HJAARN COc1cc(/C=C/C(=O)Nc2ccc(N(C)C)cc2)ccc1OCc1ccccc1 ZINC000000953851 557125517 /nfs/dbraw/zinc/12/55/17/557125517.db2.gz QVHNMVYLTBTIMS-MHWRWJLKSA-N 0 0 402.494 4.992 50 0 HJAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)c1ccc(Cl)cc1 ZINC000000976595 557128834 /nfs/dbraw/zinc/12/88/34/557128834.db2.gz RCYUDQNCNWINBV-UHFFFAOYSA-N 0 0 406.898 4.958 50 0 HJAARN COc1cc(CNc2cccc(Cl)c2C)cc(I)c1OC ZINC000000982685 557130721 /nfs/dbraw/zinc/13/07/21/557130721.db2.gz XZDHQJOBWZUEKH-UHFFFAOYSA-N 0 0 417.674 4.882 50 0 HJAARN CC(=O)Nc1ccccc1SCC(=O)Nc1cc(C)c(C)cc1Br ZINC000000983227 557130971 /nfs/dbraw/zinc/13/09/71/557130971.db2.gz CQYYRWFDEJJKEK-UHFFFAOYSA-N 0 0 407.333 4.755 50 0 HJAARN COc1cccc(C(=O)COC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1 ZINC000000991859 557135113 /nfs/dbraw/zinc/13/51/13/557135113.db2.gz JTGPKDXFGGDJRP-UHFFFAOYSA-N 0 0 423.852 4.641 50 0 HJAARN O=C(COc1ccccc1C(=O)Nc1ccccc1)c1ccc(Br)cc1 ZINC000000993203 557136255 /nfs/dbraw/zinc/13/62/55/557136255.db2.gz XQJSVJNENXIBSM-UHFFFAOYSA-N 0 0 410.267 4.963 50 0 HJAARN CCOc1ccc(NC(=O)c2ccccc2OCC(=O)c2ccc(OC)cc2)cc1 ZINC000000993439 557136816 /nfs/dbraw/zinc/13/68/16/557136816.db2.gz DGOIDLSSJKBCFA-UHFFFAOYSA-N 0 0 405.450 4.608 50 0 HJAARN COc1cc(/C=C2\N=C(c3ccccc3F)OC2=O)ccc1OCc1cccc(F)c1 ZINC000000997247 557138215 /nfs/dbraw/zinc/13/82/15/557138215.db2.gz QCJFZHUHQVPNBT-NDENLUEZSA-N 0 0 421.399 4.897 50 0 HJAARN CCOc1ccc(OCc2ccc(C(=O)Nc3ccc(OC)c(OC)c3)cc2)cc1 ZINC000001002861 557139822 /nfs/dbraw/zinc/13/98/22/557139822.db2.gz MKYPRSATWYRDHC-UHFFFAOYSA-N 0 0 407.466 4.934 50 0 HJAARN Cc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)o1 ZINC000001006108 557140776 /nfs/dbraw/zinc/14/07/76/557140776.db2.gz PPRMEGHEKMYZDK-RQZCQDPDSA-N 0 0 419.886 4.896 50 0 HJAARN Cc1ccc(-c2nnc3sc(COc4ccc(Br)cc4)nn32)cc1 ZINC000001016544 557142751 /nfs/dbraw/zinc/14/27/51/557142751.db2.gz AHLCQDSVYALSFF-UHFFFAOYSA-N 0 0 401.289 4.503 50 0 HJAARN O=C(CN1CCc2ccccc21)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc(F)cc1 ZINC000001016861 557143055 /nfs/dbraw/zinc/14/30/55/557143055.db2.gz SVVOVIJFVPMWEJ-DEOSSOPVSA-N 0 0 417.459 4.705 50 0 HJAARN C[C@H](Oc1ccc(Br)cc1Br)C(=O)NC1CCCCCC1 ZINC000001017046 557143315 /nfs/dbraw/zinc/14/33/15/557143315.db2.gz OQNMIUHUKPBFLZ-NSHDSACASA-N 0 0 419.157 4.818 50 0 HJAARN Cc1nc(-c2cnccn2)sc1C(=O)N(Cc1cccs1)Cc1ccccc1 ZINC000001032942 557148218 /nfs/dbraw/zinc/14/82/18/557148218.db2.gz FKNCNMHGCQMBLL-UHFFFAOYSA-N 0 0 406.536 4.813 50 0 HJAARN C[C@@H]1C[C@@H](NC(=S)Nc2ccc(I)cc2F)CC(C)(C)C1 ZINC000001041439 557153500 /nfs/dbraw/zinc/15/35/00/557153500.db2.gz DMDYIBHZVORTCC-ZYHUDNBSSA-N 0 0 420.335 4.932 50 0 HJAARN CCCc1cc(=O)[nH]c(SCc2ccc(C(=O)Oc3ccc(F)cc3F)cc2)n1 ZINC000001044572 557155547 /nfs/dbraw/zinc/15/55/47/557155547.db2.gz KQFVRRAAGRPGGL-UHFFFAOYSA-N 0 0 416.449 4.512 50 0 HJAARN CCOC(=O)c1nc(-c2ccccc2)sc1-c1ccnn1C(=O)Nc1ccccc1 ZINC000001048020 557157564 /nfs/dbraw/zinc/15/75/64/557157564.db2.gz OLQZDTGPZKZTOX-UHFFFAOYSA-N 0 0 418.478 4.931 50 0 HJAARN O=C(Nc1ccccc1Br)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000001054012 557160954 /nfs/dbraw/zinc/16/09/54/557160954.db2.gz GLCXNSAXWGCQID-UHFFFAOYSA-N 0 0 421.722 4.593 50 0 HJAARN COc1ccccc1NC(=O)c1c2c(sc1NC(=O)c1cccnc1)C[C@H](C)CC2 ZINC000001056217 557161617 /nfs/dbraw/zinc/16/16/17/557161617.db2.gz FPOSDOJPMFHIAT-CQSZACIVSA-N 0 0 421.522 4.781 50 0 HJAARN COc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc5c(c4)OCCO5)c3)nc2c1 ZINC000001065241 557165941 /nfs/dbraw/zinc/16/59/41/557165941.db2.gz NUHKNAIHIGATKV-UHFFFAOYSA-N 0 0 416.433 4.835 50 0 HJAARN Cc1ccc(-c2cc(C(=O)Nc3nncs3)c3cc(Br)ccc3n2)o1 ZINC000001068234 557167540 /nfs/dbraw/zinc/16/75/40/557167540.db2.gz RNJHDMCHDKDUPY-UHFFFAOYSA-N 0 0 415.272 4.670 50 0 HJAARN O=C(NCc1ccco1)c1cc(-c2cccnc2)nc2ccc(Br)cc21 ZINC000001068282 557167574 /nfs/dbraw/zinc/16/75/74/557167574.db2.gz GDDGVPQBHCQHEI-UHFFFAOYSA-N 0 0 408.255 4.582 50 0 HJAARN COc1ccc(CC(=O)N[C@H](c2ccccc2)c2ccccc2Br)cc1 ZINC000001071937 557170007 /nfs/dbraw/zinc/17/00/07/557170007.db2.gz HGBRGUTYXZDJES-JOCHJYFZSA-N 0 0 410.311 4.906 50 0 HJAARN O=C(Nc1nccs1)c1cc(-c2cccnc2)nc2ccc(Br)cc21 ZINC000001074094 557171908 /nfs/dbraw/zinc/17/19/08/557171908.db2.gz OYWNAGWAVOHNGV-UHFFFAOYSA-N 0 0 411.284 4.768 50 0 HJAARN COc1ccc(-c2cc3ccc(OC(=O)c4cccc(OC)c4)cc3oc2=O)cc1 ZINC000001076766 557173488 /nfs/dbraw/zinc/17/34/88/557173488.db2.gz UNGVAAPHUCTHQN-UHFFFAOYSA-N 0 0 402.402 4.696 50 0 biogenic HJAARN O=C(Nc1ccccc1)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1F ZINC000001081611 557175578 /nfs/dbraw/zinc/17/55/78/557175578.db2.gz XGVSUMCHECPIIP-UHFFFAOYSA-N 0 0 400.413 4.516 50 0 HJAARN CCOc1ccc(NC(=O)c2c3c(sc2NC(=O)c2cccnc2)CCC3)cc1 ZINC000001081029 557175729 /nfs/dbraw/zinc/17/57/29/557175729.db2.gz ZLWSQQPRFLYDTF-UHFFFAOYSA-N 0 0 407.495 4.535 50 0 HJAARN O=C1N(CCc2ccccc2)c2ccc(Cl)cc2[C@]1(O)c1c[nH]c2ccccc21 ZINC000001108485 557181366 /nfs/dbraw/zinc/18/13/66/557181366.db2.gz BZXZFZZBXFFNFK-DEOSSOPVSA-N 0 0 402.881 4.647 50 0 HJAARN CCCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccc(Cl)cc1 ZINC000001112446 557184521 /nfs/dbraw/zinc/18/45/21/557184521.db2.gz VQDDDNSXCRBELA-UHFFFAOYSA-N 0 0 416.934 4.748 50 0 HJAARN COc1ccc(NC(=O)c2ccccc2NC(=O)COc2cc(C)cc(C)c2)cc1 ZINC000001116167 557187168 /nfs/dbraw/zinc/18/71/68/557187168.db2.gz ZUHBGRCUTYFKJM-UHFFFAOYSA-N 0 0 404.466 4.582 50 0 HJAARN COc1ccc(CNC(=O)c2cnn3c2nc(-c2ccc(C)cc2)cc3C(F)F)cc1 ZINC000001120761 557190922 /nfs/dbraw/zinc/19/09/22/557190922.db2.gz JAOBKWKUBFMAJT-UHFFFAOYSA-N 0 0 422.435 4.581 50 0 HJAARN CC(=O)Cc1nsc(NC(=O)c2cc(-c3cc(Cl)ccc3Cl)oc2C)n1 ZINC000001122942 557192790 /nfs/dbraw/zinc/19/27/90/557192790.db2.gz HXUUXXCBHKPDPX-UHFFFAOYSA-N 0 0 410.282 4.797 50 0 HJAARN Cc1ccccc1NC(=O)COc1ccccc1C(=O)Nc1ccc2ccccc2n1 ZINC000001124476 557194028 /nfs/dbraw/zinc/19/40/28/557194028.db2.gz YXZJUALBFHZRRA-UHFFFAOYSA-N 0 0 411.461 4.813 50 0 HJAARN Cc1cc(=O)oc2cc(OCc3ccc(S(=O)(=O)Cc4ccccc4)cc3)ccc12 ZINC000001125226 557194672 /nfs/dbraw/zinc/19/46/72/557194672.db2.gz GYIIYVKNJWDOEI-UHFFFAOYSA-N 0 0 420.486 4.654 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CC(c2cccc(Br)c2)=NO1 ZINC000001126269 557195606 /nfs/dbraw/zinc/19/56/06/557195606.db2.gz JILBCMKUFQWNDL-OAHLLOKOSA-N 0 0 413.193 4.600 50 0 HJAARN Cc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3COc4ccccc4O3)cc2)cc1Cl ZINC000001126537 557195614 /nfs/dbraw/zinc/19/56/14/557195614.db2.gz PVLXSWGIHASWII-OAQYLSRUSA-N 0 0 422.868 4.679 50 0 HJAARN CCc1ccc(N2C[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)cc1 ZINC000001128826 557196933 /nfs/dbraw/zinc/19/69/33/557196933.db2.gz JSBCQQXNBNKXTF-ZDUSSCGKSA-N 0 0 410.823 4.913 50 0 HJAARN CCCC(=O)Nc1ccccc1NC(=O)COc1cc(C)c(Br)c(C)c1 ZINC000001128538 557197010 /nfs/dbraw/zinc/19/70/10/557197010.db2.gz IGMMREVKHQKONV-UHFFFAOYSA-N 0 0 419.319 4.822 50 0 HJAARN CCCC(=O)Nc1ccccc1NC(=O)COc1ccc(Br)cc1C ZINC000001130705 557197795 /nfs/dbraw/zinc/19/77/95/557197795.db2.gz HWJDYQMFVMUJKN-UHFFFAOYSA-N 0 0 405.292 4.514 50 0 HJAARN Cc1ccc(-c2nn(CC(=O)Nc3ccccc3Cl)c(=O)c3ccccc32)c(C)c1 ZINC000001132496 557199053 /nfs/dbraw/zinc/19/90/53/557199053.db2.gz WIDVRTXCUDYURH-UHFFFAOYSA-N 0 0 417.896 4.972 50 0 HJAARN Cc1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)n1C ZINC000001134819 557200576 /nfs/dbraw/zinc/20/05/76/557200576.db2.gz QBYJIGIMMKZFTK-UHFFFAOYSA-N 0 0 407.326 4.828 50 0 HJAARN O=C(CSc1ccc(Cl)cc1)Nc1cccc(I)c1 ZINC000001136738 557201485 /nfs/dbraw/zinc/20/14/85/557201485.db2.gz PDHIBWUDWODQLO-UHFFFAOYSA-N 0 0 403.672 4.675 50 0 HJAARN COc1cc(NC(=O)COc2ccc(C(C)C)cc2Br)cc(OC)c1 ZINC000001141542 557204434 /nfs/dbraw/zinc/20/44/34/557204434.db2.gz KHDWZQMVGZCXFM-UHFFFAOYSA-N 0 0 408.292 4.607 50 0 HJAARN Cc1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)n1-c1ccc(F)cc1 ZINC000001145155 557207262 /nfs/dbraw/zinc/20/72/62/557207262.db2.gz SGZBLYWOHURBOZ-UHFFFAOYSA-N 0 0 411.289 4.752 50 0 HJAARN O=C(CSCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Nc1ccccc1 ZINC000001146513 557208208 /nfs/dbraw/zinc/20/82/08/557208208.db2.gz CCGSXOJILIUXBP-UHFFFAOYSA-N 0 0 402.825 4.669 50 0 HJAARN Cc1ccccc1C(=O)Nc1ccc(Cl)c(CN2C(=O)c3ccccc3C2=O)c1 ZINC000001147174 557208866 /nfs/dbraw/zinc/20/88/66/557208866.db2.gz DEAVGVMZJQGFAC-UHFFFAOYSA-N 0 0 404.853 4.697 50 0 HJAARN CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1cccc(C)c1 ZINC000001148151 557209137 /nfs/dbraw/zinc/20/91/37/557209137.db2.gz GXKDPUYRUQBJGA-UHFFFAOYSA-N 0 0 400.935 4.966 50 0 HJAARN Cc1cc(C)c(C(=O)C[C@@]2(O)c3ccccc3N(CCc3ccccc3)C2=O)c(C)c1 ZINC000001149678 557210364 /nfs/dbraw/zinc/21/03/64/557210364.db2.gz WJMKSGXNOCQSNI-HHHXNRCGSA-N 0 0 413.517 4.662 50 0 HJAARN CCOC(=O)c1c(NC(=O)c2ccc(SC)cc2OC)sc2c1CCCC2 ZINC000001150974 557210993 /nfs/dbraw/zinc/21/09/93/557210993.db2.gz PTZWXNYKLQLUDV-UHFFFAOYSA-N 0 0 405.541 4.786 50 0 HJAARN COC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000001154159 557212886 /nfs/dbraw/zinc/21/28/86/557212886.db2.gz MMNNJYGRKKOOGB-UHFFFAOYSA-N 0 0 400.228 4.748 50 0 HJAARN CSc1ccc(O[C@H]2CCCC[C@@H]2NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001167808 557222182 /nfs/dbraw/zinc/22/21/82/557222182.db2.gz CHVFSJQPSUUYIY-OALUTQOASA-N 0 0 411.976 4.730 50 0 HJAARN CCOc1cc(C(=O)NC(=S)Nc2cc(C)ccc2C)cc(OCC)c1OCC ZINC000001171151 557224015 /nfs/dbraw/zinc/22/40/15/557224015.db2.gz JYSVRIGNSXZVEA-UHFFFAOYSA-N 0 0 416.543 4.626 50 0 HJAARN CCOc1cc(C=O)cc(Cl)c1OCc1ccc(I)cc1 ZINC000001174672 557226970 /nfs/dbraw/zinc/22/69/70/557226970.db2.gz VINZHFNIQJEXHP-UHFFFAOYSA-N 0 0 416.642 4.735 50 0 HJAARN COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1Br ZINC000001183240 557232026 /nfs/dbraw/zinc/23/20/26/557232026.db2.gz CULOZCWLQZHTPF-YBEGLDIGSA-N 0 0 404.285 4.694 50 0 HJAARN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)C(Cl)(Cl)Cl ZINC000001184065 557232629 /nfs/dbraw/zinc/23/26/29/557232629.db2.gz KZPQKCXSQRHNCS-UHFFFAOYSA-N 0 0 404.084 4.691 50 0 HJAARN O=C1S/C(=C/c2ccccc2F)C(=O)N1CNc1cccc(Br)c1 ZINC000001188767 557235356 /nfs/dbraw/zinc/23/53/56/557235356.db2.gz DRTARYRKIYKUKQ-OVCLIPMQSA-N 0 0 407.264 4.694 50 0 HJAARN CCSc1nnc2c(n1)O[C@H](c1ccc(Br)cc1)Nc1ccccc1-2 ZINC000001191263 557236456 /nfs/dbraw/zinc/23/64/56/557236456.db2.gz DFXGXISFCOVNOC-MRXNPFEDSA-N 0 0 415.316 4.916 50 0 HJAARN CCOC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000001196101 557237606 /nfs/dbraw/zinc/23/76/06/557237606.db2.gz PSRIIEFYPRFVAL-UHFFFAOYSA-N 0 0 411.461 4.968 50 0 HJAARN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)cc1 ZINC000001195923 557237720 /nfs/dbraw/zinc/23/77/20/557237720.db2.gz FAYVOFGAMVMIGJ-UHFFFAOYSA-N 0 0 400.887 4.702 50 0 HJAARN CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2cccc3ccccc32)cc1 ZINC000001207983 557242111 /nfs/dbraw/zinc/24/21/11/557242111.db2.gz CVIHCJQPMSHXGT-QFIPXVFZSA-N 0 0 417.534 4.670 50 0 HJAARN CCc1ccccc1N(CC(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000001220704 557248374 /nfs/dbraw/zinc/24/83/74/557248374.db2.gz SKQRALFWLWFYIW-UHFFFAOYSA-N 0 0 422.550 4.700 50 0 HJAARN CCOC(=O)COc1ccc2c(c1)oc(C(F)(F)F)c(Oc1ccccc1)c2=O ZINC000001229189 557249088 /nfs/dbraw/zinc/24/90/88/557249088.db2.gz QYZBCDHIFFTWAI-UHFFFAOYSA-N 0 0 408.328 4.546 50 0 HJAARN COc1ccc(C(=O)N[C@@H](Nc2cc(C)ccc2C)C(Cl)(Cl)Cl)cc1 ZINC000001232878 557250039 /nfs/dbraw/zinc/25/00/39/557250039.db2.gz AUPCPWAUWFHADS-QGZVFWFLSA-N 0 0 401.721 4.850 50 0 HJAARN COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 ZINC000001244243 557251110 /nfs/dbraw/zinc/25/11/10/557251110.db2.gz GREUMNGTKWBCJQ-BWKNWUBXSA-N 0 0 416.477 4.955 50 0 HJAARN COC(=O)COc1ccc(-c2nnc(Nc3ccc(F)cc3)c3ccccc32)cc1 ZINC000001261659 557252178 /nfs/dbraw/zinc/25/21/78/557252178.db2.gz WLCYNAADSVKXBC-UHFFFAOYSA-N 0 0 403.413 4.731 50 0 HJAARN CCOc1ccc([C@@H](NC(=O)c2ccccc2F)c2ccc(OC)c(OC)c2)cc1 ZINC000001302590 557254346 /nfs/dbraw/zinc/25/43/46/557254346.db2.gz NAGBYDFTDZWJRG-HSZRJFAPSA-N 0 0 409.457 4.761 50 0 HJAARN COc1ccc(-n2nc3ccc(NC(=O)COc4ccc5ccccc5c4)cc3n2)cc1 ZINC000001408933 557259012 /nfs/dbraw/zinc/25/90/12/557259012.db2.gz HSDZCQFZMMVYSB-UHFFFAOYSA-N 0 0 424.460 4.600 50 0 HJAARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)COc1ccccc1 ZINC000001413914 557259883 /nfs/dbraw/zinc/25/98/83/557259883.db2.gz BKUJJITUHDNZRN-UHFFFAOYSA-N 0 0 417.490 4.695 50 0 HJAARN O=C1[C@@H](Oc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)N1CCc1ccc(Cl)cc1 ZINC000001444357 557265691 /nfs/dbraw/zinc/26/56/91/557265691.db2.gz YLVRYGJTBCEPLF-PKTZIBPZSA-N 0 0 421.880 4.642 50 0 HJAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C ZINC000001450958 557267272 /nfs/dbraw/zinc/26/72/72/557267272.db2.gz XPFHSNGDMWHHFK-GXFFZTMASA-N 0 0 418.342 4.966 50 0 HJAARN CCOc1ccc(NC(=O)c2sc(=S)n(-c3ccc(OCC)cc3)c2N)cc1 ZINC000001480023 557270125 /nfs/dbraw/zinc/27/01/25/557270125.db2.gz ZGNUIXLCXKMSKZ-UHFFFAOYSA-N 0 0 415.540 4.900 50 0 HJAARN CCCOc1ccccc1NC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O ZINC000001776170 557286507 /nfs/dbraw/zinc/28/65/07/557286507.db2.gz JNWCWSVRBZMXSB-KRWDZBQOSA-N 0 0 424.444 4.936 50 0 HJAARN O=C(Nc1ccc(F)cc1F)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 ZINC000002084231 557310674 /nfs/dbraw/zinc/31/06/74/557310674.db2.gz JPNXGVPMTIHIOE-UHFFFAOYSA-N 0 0 401.262 4.946 50 0 HJAARN c1ccc2cc(Cc3nnc(C4(c5ccc6c(c5)OCO6)CCOCC4)o3)ccc2c1 ZINC000071889960 557310739 /nfs/dbraw/zinc/31/07/39/557310739.db2.gz HWYQWOVHNDKGBG-UHFFFAOYSA-N 0 0 414.461 4.639 50 0 HJAARN CC1(C)c2ccccc2N(CC(=O)NCc2ccccc2)[C@@]12C=Cc1ccccc1O2 ZINC000002181927 557322936 /nfs/dbraw/zinc/32/29/36/557322936.db2.gz OCKQUZCRHPFRMO-HHHXNRCGSA-N 0 0 410.517 4.903 50 0 HJAARN 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O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2cccc(F)c2)cc1)NCC1CC1 ZINC000034679846 557360329 /nfs/dbraw/zinc/36/03/29/557360329.db2.gz QDYPGFBKIGCRFA-UHFFFAOYSA-N 0 0 416.496 4.741 50 0 HJAARN COc1cc(C=O)c(Br)c(Br)c1OCc1ccccc1 ZINC000002729633 557371440 /nfs/dbraw/zinc/37/14/40/557371440.db2.gz LBDBYGRZZHOMCX-UHFFFAOYSA-N 0 0 400.066 4.612 50 0 HJAARN C[C@@H](CNC(=O)c1cc(Cl)ccc1Cl)NC(=O)c1cc(Cl)ccc1Cl ZINC000002748454 557378406 /nfs/dbraw/zinc/37/84/06/557378406.db2.gz YKEVOSSEQSQDBO-VIFPVBQESA-N 0 0 420.123 4.849 50 0 HJAARN COc1cc(/C=C2/N=C(c3cccc4ccccc43)OC2=O)ccc1OC(=O)C(C)C ZINC000002752949 557379570 /nfs/dbraw/zinc/37/95/70/557379570.db2.gz ZYWUUXOSINWGQB-DEDYPNTBSA-N 0 0 415.445 4.754 50 0 HJAARN O=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 ZINC000002777408 557385832 /nfs/dbraw/zinc/38/58/32/557385832.db2.gz LHGVMKHTOBSBEI-UHFFFAOYSA-N 0 0 407.034 4.990 50 0 HJAARN Cc1cccc(COc2cccc(-c3nc(C(=O)NC[C@H]4CCCO4)cs3)c2)c1 ZINC000034712821 557392343 /nfs/dbraw/zinc/39/23/43/557392343.db2.gz 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/nfs/dbraw/zinc/40/10/99/557401099.db2.gz KZUXOIAFDPJGCJ-UHFFFAOYSA-N 0 0 402.317 4.703 50 0 HJAARN C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000002846652 557403044 /nfs/dbraw/zinc/40/30/44/557403044.db2.gz RAFJUWKEEDBKNO-HOTGVXAUSA-N 0 0 412.584 4.877 50 0 HJAARN COc1cc(C(=S)N2CCCCC2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000002851229 557404701 /nfs/dbraw/zinc/40/47/01/557404701.db2.gz QEZXOGDOQMYTRF-UHFFFAOYSA-N 0 0 418.946 4.528 50 0 HJAARN CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000002852582 557405392 /nfs/dbraw/zinc/40/53/92/557405392.db2.gz WVCUKASEQBDXRU-UHFFFAOYSA-N 0 0 409.368 4.807 50 0 HJAARN CCc1ccc(NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000002873321 557415691 /nfs/dbraw/zinc/41/56/91/557415691.db2.gz QKQRYGGOTNIHIU-UHFFFAOYSA-N 0 0 422.550 4.700 50 0 HJAARN CSc1nnc2c(n1)O[C@@H](c1ccc(C)cc1)Nc1ccc(Br)cc1-2 ZINC000002874372 557416283 /nfs/dbraw/zinc/41/62/83/557416283.db2.gz SHJNMBNBKRUXAH-INIZCTEOSA-N 0 0 415.316 4.835 50 0 HJAARN COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(SC)cc2OC)cc1 ZINC000002876773 557417495 /nfs/dbraw/zinc/41/74/95/557417495.db2.gz DMKGAGIDWKAABO-UHFFFAOYSA-N 0 0 422.506 4.930 50 0 HJAARN O=C(N[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)c1cccs1 ZINC000002885397 557421725 /nfs/dbraw/zinc/42/17/25/557421725.db2.gz CTNNJXFWBPJBMJ-QGZVFWFLSA-N 0 0 404.413 4.877 50 0 HJAARN CCCOc1ccc(C(=O)NC(=S)Nc2cc(NC(=O)CC)ccc2Cl)cc1 ZINC000002886318 557422453 /nfs/dbraw/zinc/42/24/53/557422453.db2.gz IWMWXCRPGDJOPH-UHFFFAOYSA-N 0 0 419.934 4.604 50 0 HJAARN CC(C)(C)c1cc(C(=O)Cn2c3ccccc3nc2NCCO)cc(C(C)(C)C)c1O ZINC000002901590 557424645 /nfs/dbraw/zinc/42/46/45/557424645.db2.gz XTYRFUQJDWXAMP-UHFFFAOYSA-N 0 0 423.557 4.624 50 0 HJAARN O=C(NCc1cccs1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000002948311 557429881 /nfs/dbraw/zinc/42/98/81/557429881.db2.gz SMUFMZHVCHKPHV-SMDDNHRTSA-N 0 0 412.462 4.596 50 0 HJAARN Cc1c(NC(=S)NC(=O)C=Cc2ccccc2)cccc1-c1nc2ncccc2o1 ZINC000002954901 557430622 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/nfs/dbraw/zinc/48/46/75/557484675.db2.gz ASYGIDCSBSYQBY-RPBOFIJWSA-N 0 0 410.517 4.755 50 0 HJAARN Cc1cccc([C@H]2[C@@H](C(=O)NCc3ccccc3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034924098 557484742 /nfs/dbraw/zinc/48/47/42/557484742.db2.gz ASYGIDCSBSYQBY-DQEYMECFSA-N 0 0 410.517 4.755 50 0 HJAARN Cc1cccc(N2C(=O)CSC23CCN(C(=O)c2ccc4ccccc4c2)CC3)c1 ZINC000034927301 557485186 /nfs/dbraw/zinc/48/51/86/557485186.db2.gz YIITZFIOWWPLGP-UHFFFAOYSA-N 0 0 416.546 4.861 50 0 HJAARN O=C(Nc1ccc(Cl)cc1)N1CCC2(CC1)SCC(=O)N2c1ccc(F)cc1 ZINC000034927438 557485472 /nfs/dbraw/zinc/48/54/72/557485472.db2.gz HWRGARDRDPBOAK-UHFFFAOYSA-N 0 0 419.909 4.583 50 0 HJAARN Cc1cc(Br)ccc1NC(=O)CSc1nnc(-c2cccs2)o1 ZINC000003474991 557489402 /nfs/dbraw/zinc/48/94/02/557489402.db2.gz RCYAFVQRRXAGJH-UHFFFAOYSA-N 0 0 410.318 4.600 50 0 HJAARN COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 ZINC000004146212 557520037 /nfs/dbraw/zinc/52/00/37/557520037.db2.gz GREUMNGTKWBCJQ-OFVILXPXSA-N 0 0 416.477 4.955 50 0 HJAARN CC(=O)N1c2ccccc2C(c2c[nH]c3ccccc32)(c2c[nH]c3ccccc32)C1=O ZINC000004198890 557528115 /nfs/dbraw/zinc/52/81/15/557528115.db2.gz AGJITWLANBAKJU-UHFFFAOYSA-N 0 0 405.457 4.877 50 0 biogenic HJAARN O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000004350437 557545082 /nfs/dbraw/zinc/54/50/82/557545082.db2.gz FGBVKXWLWDKMKY-ATNYCFDYSA-N 0 0 410.267 4.553 50 0 HJAARN COc1cc(NC(=O)COc2ccc(C)cc2C)ccc1NC(=O)c1cccs1 ZINC000004487835 557558992 /nfs/dbraw/zinc/55/89/92/557558992.db2.gz PSILUVHBFQNUDW-UHFFFAOYSA-N 0 0 410.495 4.643 50 0 HJAARN Clc1ccc(C2=NN3C(c4cccc(Br)c4)=NSC3=NC2)cc1 ZINC000004528532 557564051 /nfs/dbraw/zinc/56/40/51/557564051.db2.gz ARLRDYRZBUPZTQ-UHFFFAOYSA-N 0 0 405.708 4.587 50 0 HJAARN CC(=O)Nc1ccc(N2C(C(C)=O)=NN(c3ccccc3)[C@@H]2c2cccs2)cc1 ZINC000004543746 557565251 /nfs/dbraw/zinc/56/52/51/557565251.db2.gz ULQBFWAFHAYSPN-JOCHJYFZSA-N 0 0 404.495 4.634 50 0 HJAARN Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)s1 ZINC000004555062 557567126 /nfs/dbraw/zinc/56/71/26/557567126.db2.gz IGYZTHSXFPGWKR-QFIPXVFZSA-N 0 0 411.910 4.717 50 0 HJAARN C[C@H](C(=O)c1ccccc1)[C@@]1(O)c2cc(Cl)ccc2N(CCc2ccccc2)C1=O ZINC000004555236 557567334 /nfs/dbraw/zinc/56/73/34/557567334.db2.gz WVJYHISCQIDKMU-CRICUBBOSA-N 0 0 419.908 4.636 50 0 HJAARN CC(C)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000004557515 557567859 /nfs/dbraw/zinc/56/78/59/557567859.db2.gz OQRZBUAXYJHTTM-AWEZNQCLSA-N 0 0 401.304 4.564 50 0 HJAARN CC(C)C(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1 ZINC000004599313 557571157 /nfs/dbraw/zinc/57/11/57/557571157.db2.gz SXWJUFARDLQLOQ-UHFFFAOYSA-N 0 0 400.434 4.874 50 0 HJAARN Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCc2ccccc2Cl)cc1C ZINC000004649045 557575390 /nfs/dbraw/zinc/57/53/90/557575390.db2.gz WUERLBDIXIQMDV-JCMHNJIXSA-N 0 0 422.912 4.680 50 0 HJAARN CN(C)P(=O)(Oc1ccccc1C(O)(c1ccccc1)c1ccccc1)N(C)C ZINC000004667917 557579135 /nfs/dbraw/zinc/57/91/35/557579135.db2.gz YYLUFBWPCLDREZ-UHFFFAOYSA-N 0 0 410.454 4.581 50 0 HJAARN Clc1ccc(-c2nnc3n2N=C(c2ccc(Br)cc2)CS3)cc1 ZINC000004691380 557581815 /nfs/dbraw/zinc/58/18/15/557581815.db2.gz AIOMZLPQGXWIAR-UHFFFAOYSA-N 0 0 405.708 4.719 50 0 HJAARN CCOC(=O)CN1C(=O)S/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O ZINC000004694612 557582165 /nfs/dbraw/zinc/58/21/65/557582165.db2.gz YWLICUZZTRRSIJ-LFIBNONCSA-N 0 0 419.543 4.587 50 0 HJAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC000004696174 557582348 /nfs/dbraw/zinc/58/23/48/557582348.db2.gz NDHCFLIBRDUTKA-MRXNPFEDSA-N 0 0 403.891 4.567 50 0 HJAARN CCOc1c(Cl)cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1Cl ZINC000004698966 557582795 /nfs/dbraw/zinc/58/27/95/557582795.db2.gz RTFQNKZGNRXSGU-CXUHLZMHSA-N 0 0 409.244 4.624 50 0 HJAARN COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3Sc3ccccc3)CC2=O)cc1 ZINC000004731956 557588452 /nfs/dbraw/zinc/58/84/52/557588452.db2.gz RQHUOBCYFNFNPA-KRWDZBQOSA-N 0 0 418.518 4.838 50 0 HJAARN COc1cc(-c2nc3cccc(C)n3c2Nc2ccc3c(c2)OCCO3)ccc1O ZINC000004733656 557588791 /nfs/dbraw/zinc/58/87/91/557588791.db2.gz ITOJSSZNFNNLGQ-UHFFFAOYSA-N 0 0 403.438 4.539 50 0 HJAARN CCCC1=Nc2nc3ccccc3n2[C@@H](c2ccc(OC)c(OC)c2)C1C(=O)OCC ZINC000004735587 557589035 /nfs/dbraw/zinc/58/90/35/557589035.db2.gz GNEVKUIUBFENDD-QFIPXVFZSA-N 0 0 421.497 4.686 50 0 HJAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)c1c[nH]c2ccccc21 ZINC000004758797 557595296 /nfs/dbraw/zinc/59/52/96/557595296.db2.gz RJUDCHYRNOHWBR-UHFFFAOYSA-N 0 0 400.463 4.984 50 0 HJAARN CS(=O)(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000004809398 557599751 /nfs/dbraw/zinc/59/97/51/557599751.db2.gz FETRPSFHKNBSQQ-UHFFFAOYSA-N 0 0 416.886 4.756 50 0 HJAARN Cc1cc(O)c(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1C ZINC000004810277 557600204 /nfs/dbraw/zinc/60/02/04/557600204.db2.gz WCKCFDLGAABPCP-UHFFFAOYSA-N 0 0 406.507 4.715 50 0 HJAARN O=C(Nc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000004834188 557604666 /nfs/dbraw/zinc/60/46/66/557604666.db2.gz CWTJCXCQGGWKFQ-UHFFFAOYSA-N 0 0 407.923 4.549 50 0 HJAARN Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCC2)ccc1Cl ZINC000004842207 557605244 /nfs/dbraw/zinc/60/52/44/557605244.db2.gz SULAVGUDWCRXAZ-MRXNPFEDSA-N 0 0 400.906 4.681 50 0 HJAARN CCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1cc(OC)ccc1OC)C2 ZINC000004910790 557612329 /nfs/dbraw/zinc/61/23/29/557612329.db2.gz AFVJXIDOPXBTFX-INIZCTEOSA-N 0 0 413.514 4.990 50 0 HJAARN Cc1cccc(-n2c(=O)c3cnn(-c4ccccc4Cl)c3nc2-c2ccco2)c1 ZINC000004971944 557618704 /nfs/dbraw/zinc/61/87/04/557618704.db2.gz HMPAYSZIZUVASK-UHFFFAOYSA-N 0 0 402.841 4.793 50 0 HJAARN O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000005051323 557630577 /nfs/dbraw/zinc/63/05/77/557630577.db2.gz VHWFUVKSSBPSEP-UHFFFAOYSA-N 0 0 404.850 4.532 50 0 HJAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)NCc2ccc(Cl)cc2)c1C ZINC000005054110 557631321 /nfs/dbraw/zinc/63/13/21/557631321.db2.gz WYUXWUUUGFZNRN-UHFFFAOYSA-N 0 0 424.928 4.918 50 0 HJAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CC(=O)N2CCc3ccccc32)c1C ZINC000005054145 557631392 /nfs/dbraw/zinc/63/13/92/557631392.db2.gz CKLNYQSGHLXBHL-UHFFFAOYSA-N 0 0 402.494 4.538 50 0 HJAARN COc1ccc(NC(=O)[C@H](NC(=O)c2ccccc2)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000005073792 557634021 /nfs/dbraw/zinc/63/40/21/557634021.db2.gz HUTHJAIUFWYJFL-MHLWUJJFSA-N 0 0 418.537 4.649 50 0 HJAARN Cc1c2occ(-c3ccc(F)cc3)c2cc2c(C)c(CC(=O)NC3CC3)c(=O)oc12 ZINC000005352240 557646522 /nfs/dbraw/zinc/64/65/22/557646522.db2.gz BPJMZWQXXUATGI-UHFFFAOYSA-N 0 0 405.425 4.783 50 0 HJAARN Cc1ccc(C)c(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)c1 ZINC000005379951 557649686 /nfs/dbraw/zinc/64/96/86/557649686.db2.gz VIUILAJMMBREIR-OAQYLSRUSA-N 0 0 407.514 4.859 50 0 biogenic HJAARN C[C@H]1CCc2c(sc3[nH]c(=S)n(-c4ccc(Br)cc4)c(=O)c23)C1 ZINC000005490182 557657285 /nfs/dbraw/zinc/65/72/85/557657285.db2.gz VVHXXHBTQJLOMA-VIFPVBQESA-N 0 0 407.358 4.997 50 0 HJAARN COc1ccc(-n2c(-c3ccc(OC(F)F)cc3)cs/c2=N\C2=NCCC2)cc1 ZINC000005611738 557665155 /nfs/dbraw/zinc/66/51/55/557665155.db2.gz VOSZJHQKSCAQQN-DAFNUICNSA-N 0 0 415.465 4.909 50 0 HJAARN CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 ZINC000005719015 557670460 /nfs/dbraw/zinc/67/04/60/557670460.db2.gz FYXYUXAHVDNUJS-OAHLLOKOSA-N 0 0 409.511 4.926 50 0 HJAARN COc1ccc(CSc2nnc(SCC(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000005871810 557678360 /nfs/dbraw/zinc/67/83/60/557678360.db2.gz LWRFUPRNFPBZIO-UHFFFAOYSA-N 0 0 417.581 4.878 50 0 HJAARN CCCCC(=O)Nc1ccc(NC(=O)c2ccc(Br)cc2)cc1OC ZINC000006048798 557685429 /nfs/dbraw/zinc/68/54/29/557685429.db2.gz JCXSMEDZPSSJNW-UHFFFAOYSA-N 0 0 405.292 4.839 50 0 HJAARN Cc1ccc(S(=O)(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccccc2)cc1 ZINC000006144068 557690863 /nfs/dbraw/zinc/69/08/63/557690863.db2.gz LJFPBQUUYGNYGL-UHFFFAOYSA-N 0 0 418.518 4.540 50 0 aggregator HJAARN COc1ccc([C@H]2CC(=O)N(CC(=O)NC3CCCCC3)c3ccccc3S2)cc1 ZINC000006441567 557702429 /nfs/dbraw/zinc/70/24/29/557702429.db2.gz AZQHXLIAZWHJGX-JOCHJYFZSA-N 0 0 424.566 4.714 50 0 HJAARN Cc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@@H](c1ccccc1F)N1NC=NC1=N2 ZINC000006504838 557705975 /nfs/dbraw/zinc/70/59/75/557705975.db2.gz YYDSFJWQMQLFEM-RPWUZVMVSA-N 0 0 410.452 4.938 50 0 HJAARN CCOc1cccc2sc(N(CCCn3ccnc3)C(=O)c3ccc(F)cc3)nc21 ZINC000010580770 557708209 /nfs/dbraw/zinc/70/82/09/557708209.db2.gz YQFSUQUBLHFSAB-UHFFFAOYSA-N 0 0 424.501 4.768 50 0 HJAARN CCOc1ccccc1NC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000006690941 557715321 /nfs/dbraw/zinc/71/53/21/557715321.db2.gz JJJROVSKKVJDRN-UHFFFAOYSA-N 0 0 409.507 4.620 50 0 HJAARN Cc1ccc(-c2nn([C@H](C)C(=O)Nc3ccccc3Cl)c(=O)c3c2CCCC3)cc1 ZINC000006767195 557720085 /nfs/dbraw/zinc/72/00/85/557720085.db2.gz ZUPLWNHNXIESNS-MRXNPFEDSA-N 0 0 421.928 4.951 50 0 HJAARN CCCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@H](C(=O)Nc1cc(C)cc(C)c1)S2 ZINC000006812236 557724017 /nfs/dbraw/zinc/72/40/17/557724017.db2.gz QKDJANPJJILPFJ-NHCUHLMSSA-N 0 0 421.570 4.554 50 0 HJAARN Cc1ccc(COc2ccc(/C=C3\NC(=S)N(c4ccccc4)C3=O)cc2)cc1 ZINC000006841148 557726405 /nfs/dbraw/zinc/72/64/05/557726405.db2.gz BMTFTYYMZIUBBL-JCMHNJIXSA-N 0 0 400.503 4.836 50 0 HJAARN COc1ccc([C@H]2c3[nH]c4ccc(OC)cc4c3CCN2C(=O)NC2CCCC2)cc1 ZINC000006945197 557731036 /nfs/dbraw/zinc/73/10/36/557731036.db2.gz YWNAIRKNOSNJEJ-DEOSSOPVSA-N 0 0 419.525 4.785 50 0 HJAARN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2)n1)Nc1cccc(Br)c1 ZINC000006974438 557731804 /nfs/dbraw/zinc/73/18/04/557731804.db2.gz DUWWBNBCAXAVML-UHFFFAOYSA-N 0 0 423.723 4.618 50 0 HJAARN Cc1cccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2ccccc2F)C3=O)c1 ZINC000006997212 557732929 /nfs/dbraw/zinc/73/29/29/557732929.db2.gz KXHGTTQQQGYLHD-DEOSSOPVSA-N 0 0 418.493 4.614 50 0 HJAARN CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)cc1 ZINC000002703685 557743066 /nfs/dbraw/zinc/74/30/66/557743066.db2.gz QXSJCOBVJDHPCR-QFIPXVFZSA-N 0 0 412.445 4.645 50 0 HJAARN Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C(C)C)s2)cc1 ZINC000002704383 557743483 /nfs/dbraw/zinc/74/34/83/557743483.db2.gz MHGSMQFZJPEHRF-GOSISDBHSA-N 0 0 417.490 4.826 50 0 HJAARN CCOc1ccc(-n2c(SCc3ccccc3C)nc3c(c2=O)SCC3)cc1 ZINC000002719914 557746545 /nfs/dbraw/zinc/74/65/45/557746545.db2.gz FWELLKBEXCSGAQ-UHFFFAOYSA-N 0 0 410.564 4.880 50 0 HJAARN CCOc1ccc(-n2c(=O)c3c(nc2SCc2cccc(F)c2)CCS3)cc1 ZINC000002719910 557746676 /nfs/dbraw/zinc/74/66/76/557746676.db2.gz MEXRGJQFEZWMNA-UHFFFAOYSA-N 0 0 414.527 4.711 50 0 HJAARN COc1ccccc1C(=O)N[C@@H](C)c1nc2ccccc2n1Cc1ccccc1F ZINC000002721355 557747648 /nfs/dbraw/zinc/74/76/48/557747648.db2.gz VPDRFVNEJLZVCY-INIZCTEOSA-N 0 0 403.457 4.723 50 0 HJAARN Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc(Br)cc2)c1 ZINC000002723017 557748135 /nfs/dbraw/zinc/74/81/35/557748135.db2.gz KCZATNOERSHQSC-UHFFFAOYSA-N 0 0 402.317 4.674 50 0 HJAARN COc1ccc(-n2ccnc2SCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000002723194 557748358 /nfs/dbraw/zinc/74/83/58/557748358.db2.gz XQNNJKNWPVGKRU-UHFFFAOYSA-N 0 0 408.310 4.919 50 0 HJAARN Cc1ccc(-n2ncc3c2nc(SCc2c(F)cccc2Cl)[nH]c3=O)cc1 ZINC000002717960 557750769 /nfs/dbraw/zinc/75/07/69/557750769.db2.gz NSHTUOZSEWMBHQ-UHFFFAOYSA-N 0 0 400.866 4.502 50 0 HJAARN CC[C@H](C(=O)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccccc1)c1ccccc1 ZINC000002724661 557753045 /nfs/dbraw/zinc/75/30/45/557753045.db2.gz JGOBKNROUPGGEA-RDPSFJRHSA-N 0 0 402.469 4.890 50 0 HJAARN CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCC[C@@H](C)C4)cc3n2)s1 ZINC000002771935 557760439 /nfs/dbraw/zinc/76/04/39/557760439.db2.gz HSMMHBMMKMHJCZ-GFCCVEGCSA-N 0 0 422.476 4.911 50 0 HJAARN O=C1c2ccccc2CN1c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC000002800775 557762799 /nfs/dbraw/zinc/76/27/99/557762799.db2.gz YPEHAXRYMAICEI-UHFFFAOYSA-N 0 0 405.294 4.729 50 0 HJAARN COc1ccc(-c2nc(-c3ccc(NC(=O)c4cccs4)cc3)no2)cc1OC ZINC000002930994 557771765 /nfs/dbraw/zinc/77/17/65/557771765.db2.gz YCRUBICGPMCOMB-UHFFFAOYSA-N 0 0 407.451 4.735 50 0 HJAARN COc1cc2c(cc1OC)[C@H](COc1ccc(C(C)C)cc1)N(C(=O)C1CC1)CC2 ZINC000002980255 557776966 /nfs/dbraw/zinc/77/69/66/557776966.db2.gz WTHRMLJGWQCIBB-QFIPXVFZSA-N 0 0 409.526 4.742 50 0 HJAARN CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(NC(=O)C4CCC4)c3)C2)cc1 ZINC000033296665 557782998 /nfs/dbraw/zinc/78/29/98/557782998.db2.gz PPJSBWLLSTZTKQ-LJQANCHMSA-N 0 0 419.525 4.540 50 0 HJAARN CCOC(=O)N=c1[nH]c(C)c(-c2nc3ccccc3c(=O)n2-c2cccc(C)c2)s1 ZINC000008715542 557801273 /nfs/dbraw/zinc/80/12/73/557801273.db2.gz HNSOCTCEZHBIFV-UHFFFAOYSA-N 0 0 420.494 4.694 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](NCc1cn2ccccc2n1)c1ccccc1 ZINC000008746628 557805264 /nfs/dbraw/zinc/80/52/64/557805264.db2.gz SMOPSNBJTQYGDF-NRFANRHFSA-N 0 0 424.426 4.823 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1CCc1nn2c(nnc2-c2ccc(F)cc2)s1 ZINC000008992579 557817716 /nfs/dbraw/zinc/81/77/16/557817716.db2.gz ZDBNCCQSWCFUFY-UHFFFAOYSA-N 0 0 418.501 4.580 50 0 HJAARN COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2cccc(Cl)c2)N(c2nccs2)C1=O ZINC000009042514 557820042 /nfs/dbraw/zinc/82/00/42/557820042.db2.gz NEADCLZCHMNFRM-QGZVFWFLSA-N 0 0 424.865 4.661 50 0 HJAARN COc1cccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000009094702 557823357 /nfs/dbraw/zinc/82/33/57/557823357.db2.gz MWQMQWVNYUYFCD-UHFFFAOYSA-N 0 0 424.280 4.537 50 0 HJAARN FC(F)(F)c1ccc(NC(=S)N2CCN(c3nsc4ccccc43)CC2)cc1 ZINC000009481919 557843909 /nfs/dbraw/zinc/84/39/09/557843909.db2.gz MNTKTDWDLHOFPA-UHFFFAOYSA-N 0 0 422.501 4.834 50 0 HJAARN Cc1nn2c(nnc(C(=O)Nc3ccc(C)cc3C)c2C)c1-c1ccc(Cl)cc1 ZINC000009484067 557844345 /nfs/dbraw/zinc/84/43/45/557844345.db2.gz AHBBGFHZCGFTSF-UHFFFAOYSA-N 0 0 405.889 4.931 50 0 HJAARN COc1ccc(COC(=O)C2=C(C)NC(=O)C[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000009559855 557845738 /nfs/dbraw/zinc/84/57/38/557845738.db2.gz FZGRMIGKGCAFCL-KRWDZBQOSA-N 0 0 420.292 4.623 50 0 HJAARN COc1ccc(OCc2nnc3sc(Cc4cccc5ccccc54)nn23)cc1 ZINC000009575350 557845964 /nfs/dbraw/zinc/84/59/64/557845964.db2.gz RFROKRRUIKLEMS-UHFFFAOYSA-N 0 0 402.479 4.517 50 0 HJAARN CCC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)cc1 ZINC000009698678 557848751 /nfs/dbraw/zinc/84/87/51/557848751.db2.gz BGKKYPJSEJDDLK-UHFFFAOYSA-N 0 0 415.493 4.526 50 0 HJAARN COc1ccc([C@H]2CC(=O)c3c(C)nc(Nc4cccc(C)c4)nc3C2)cc1OC ZINC000009935877 557851922 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CCN(Cc1ccccc1)C(=O)CC[C@@]1(Cc2ccc3ccccc3c2)CCC(=O)N1 ZINC000011839103 558285915 /nfs/dbraw/zinc/28/59/15/558285915.db2.gz HAWUJDSUQJPBTA-HHHXNRCGSA-N 0 0 414.549 4.860 50 0 HJAARN Cc1noc(C)c1C(=O)NC[C@@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1 ZINC000011868621 558290001 /nfs/dbraw/zinc/29/00/01/558290001.db2.gz JVDNBDRHEMDIKL-HNNXBMFYSA-N 0 0 416.399 4.711 50 0 HJAARN Cc1nc(-c2cccs2)c(CCC(=O)N2CCN(c3ccccc3F)CC2)s1 ZINC000019819562 558290003 /nfs/dbraw/zinc/29/00/03/558290003.db2.gz DXLQWBKEGHAJST-UHFFFAOYSA-N 0 0 415.559 4.601 50 0 HJAARN COc1cc(Cl)cc(CN[C@@H](C)c2cnn(-c3cccc(F)c3)c2C)c1OC ZINC000011873016 558290907 /nfs/dbraw/zinc/29/09/07/558290907.db2.gz GBIHUJHOJDALRI-ZDUSSCGKSA-N 0 0 403.885 4.841 50 0 HJAARN COc1ccc(C(=O)CSc2nnc(-c3ccco3)n2-c2ccc(OC)cc2)cc1 ZINC000019824299 558291022 /nfs/dbraw/zinc/29/10/22/558291022.db2.gz WWJZXVYQAXRFPD-UHFFFAOYSA-N 0 0 421.478 4.520 50 0 HJAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2cccnc2)cc1 ZINC000019823474 558291080 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S=C(NCCc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019956862 558314984 /nfs/dbraw/zinc/31/49/84/558314984.db2.gz SUKWJNKOGMNONN-UHFFFAOYSA-N 0 0 415.606 4.511 50 0 HJAARN COC[C@@H]1CCN(C(=O)c2ccc3oc(-c4ccc(C(F)(F)F)cc4)nc3c2)C1 ZINC000012057796 558316582 /nfs/dbraw/zinc/31/65/82/558316582.db2.gz GFRAEYSXQOYZLR-CYBMUJFWSA-N 0 0 404.388 4.622 50 0 HJAARN CCCOc1ccc(-c2nonc2NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 ZINC000012062602 558317548 /nfs/dbraw/zinc/31/75/48/558317548.db2.gz VOYXMDTWGDRFSV-UHFFFAOYSA-N 0 0 415.877 4.813 50 0 HJAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)c(C)c1 ZINC000012075137 558319336 /nfs/dbraw/zinc/31/93/36/558319336.db2.gz YEZSFLUFJIBNLG-GOSISDBHSA-N 0 0 419.525 4.756 50 0 HJAARN CCCCSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 ZINC000020057806 558328994 /nfs/dbraw/zinc/32/89/94/558328994.db2.gz LLLVSPRXWANBCX-UHFFFAOYSA-N 0 0 414.600 4.847 50 0 HJAARN O=C(Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1)c1sc2ccccc2c1Cl ZINC000012138583 558334303 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/nfs/dbraw/zinc/39/36/70/558393670.db2.gz DKGOYCSEQWUXPW-JOCHJYFZSA-N 0 0 404.514 4.959 50 0 HJAARN CCn1nc(NC(=O)c2cc3c(C(F)(F)F)nn(-c4ccccc4)c3s2)cc1C ZINC000020617390 558393673 /nfs/dbraw/zinc/39/36/73/558393673.db2.gz BGDXQHBCWWATOZ-UHFFFAOYSA-N 0 0 419.432 4.883 50 0 HJAARN Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)cc1 ZINC000020617523 558393867 /nfs/dbraw/zinc/39/38/67/558393867.db2.gz VTLZTHZCCIAVHM-UHFFFAOYSA-N 0 0 422.872 4.962 50 0 HJAARN C[C@@H]1C[C@@H](C)CN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000012419518 558403226 /nfs/dbraw/zinc/40/32/26/558403226.db2.gz UPHJAAOGDLQXPI-ZIAGYGMSSA-N 0 0 420.918 4.903 50 0 HJAARN COc1cc(NC(=O)c2ccccc2)c(-c2nc(-c3ccccc3)no2)cc1OC ZINC000020722676 558403612 /nfs/dbraw/zinc/40/36/12/558403612.db2.gz UDFZUXLHWUBHNN-UHFFFAOYSA-N 0 0 401.422 4.673 50 0 HJAARN O=C(NCc1ccccn1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 ZINC000020723495 558403924 /nfs/dbraw/zinc/40/39/24/558403924.db2.gz WPTRIKLIBNRPIC-QHCPKHFHSA-N 0 0 417.553 4.583 50 0 HJAARN Cc1oc(-c2cccs2)nc1CN1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000012431583 558406139 /nfs/dbraw/zinc/40/61/39/558406139.db2.gz CSRBQAUBBXRRDM-QGZVFWFLSA-N 0 0 411.527 4.559 50 0 HJAARN Cc1ccc(-n2ncc3c2NC(=O)C[C@@]32c3ccccc3N(CC(C)C)C2=O)c(C)c1 ZINC000020733631 558407250 /nfs/dbraw/zinc/40/72/50/558407250.db2.gz KVGXOKPZQGUEHX-RUZDIDTESA-N 0 0 414.509 4.770 50 0 HJAARN COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cnccc4o3)c2)cc1OC ZINC000020737682 558408106 /nfs/dbraw/zinc/40/81/06/558408106.db2.gz DXXKFEGQPZEGRC-UHFFFAOYSA-N 0 0 409.829 4.813 50 0 HJAARN O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000020739719 558408786 /nfs/dbraw/zinc/40/87/86/558408786.db2.gz VJTSIJOAXDYDML-HXUWFJFHSA-N 0 0 409.873 4.968 50 0 HJAARN Cc1c2cc(OC(=O)c3ccc4c(c3)OCO4)ccc2oc(=O)c1-c1ccccc1 ZINC000004340793 558424772 /nfs/dbraw/zinc/42/47/72/558424772.db2.gz FQHXNXOBKNFZCC-UHFFFAOYSA-N 0 0 400.386 4.716 50 0 HJAARN COc1cc(Cn2c(C(=O)NCCc3ccccc3)cc3oc(C)cc32)cc(OC)c1 ZINC000004345801 558427331 /nfs/dbraw/zinc/42/73/31/558427331.db2.gz KLVJDACTCZFRPE-UHFFFAOYSA-N 0 0 418.493 4.581 50 0 HJAARN COc1cccc(-c2nnc(SCc3ccc(I)cc3)o2)c1 ZINC000021146982 558432348 /nfs/dbraw/zinc/43/23/48/558432348.db2.gz WEHALFYYAFDLNF-UHFFFAOYSA-N 0 0 424.263 4.642 50 0 HJAARN Cc1ccc2nsnc2c1NC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000021146915 558432393 /nfs/dbraw/zinc/43/23/93/558432393.db2.gz VFMXGVBJYMFATI-UHFFFAOYSA-N 0 0 406.305 4.558 50 0 HJAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2cccc(F)c2)cc1OC ZINC000021239428 558434088 /nfs/dbraw/zinc/43/40/88/558434088.db2.gz QGFJPWDWCACGFU-UHFFFAOYSA-N 0 0 422.481 4.834 50 0 HJAARN O=C(CSCc1ccc(F)cc1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000021273172 558434581 /nfs/dbraw/zinc/43/45/81/558434581.db2.gz WUZBBUUQWZBRQS-QGZVFWFLSA-N 0 0 416.543 4.881 50 0 HJAARN Cc1cccc(OCc2nnc(SCc3c(F)c(F)c(F)c(F)c3F)o2)c1 ZINC000021330427 558435786 /nfs/dbraw/zinc/43/57/86/558435786.db2.gz GGBDIJYYWFLCSW-UHFFFAOYSA-N 0 0 402.344 4.945 50 0 HJAARN COc1cccc2cc(-c3csc(NC(=O)c4ccc(OC)c(OC)c4)n3)oc21 ZINC000010747763 558436111 /nfs/dbraw/zinc/43/61/11/558436111.db2.gz KXPKHRAMKOAQRY-UHFFFAOYSA-N 0 0 410.451 4.834 50 0 HJAARN COc1ccc(CCC(=O)N2CCC[C@H](C(=O)c3ccc4ccccc4c3)C2)cc1 ZINC000012593295 558436308 /nfs/dbraw/zinc/43/63/08/558436308.db2.gz LFSZZUOXXRMKQW-QHCPKHFHSA-N 0 0 401.506 4.903 50 0 HJAARN Cc1ccc(CN2c3ccccc3[C@](O)(CC(=O)c3ccccc3Cl)C2=O)c(C)c1 ZINC000021343637 558436766 /nfs/dbraw/zinc/43/67/66/558436766.db2.gz XAHBGIDJSPIOKM-RUZDIDTESA-N 0 0 419.908 4.964 50 0 HJAARN O=C(CC1CCCC1)Nc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000004354106 558439832 /nfs/dbraw/zinc/43/98/32/558439832.db2.gz SADPHRXZFQDPPN-UHFFFAOYSA-N 0 0 420.465 4.975 50 0 HJAARN CCOC(=O)[C@@H]1Cc2ccccc2CN1Cc1cccc(OCc2ccccc2)c1 ZINC000012628948 558441145 /nfs/dbraw/zinc/44/11/45/558441145.db2.gz NERRDFXHHNCTDC-VWLOTQADSA-N 0 0 401.506 4.756 50 0 HJAARN O=S(=O)(Nc1cccc(-c2nnc3n2CCC3)c1)c1ccc(C2CCCCC2)cc1 ZINC000012630864 558441816 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ZINC000015068365 558710891 /nfs/dbraw/zinc/71/08/91/558710891.db2.gz MJXMJCAURUCSCL-CQSZACIVSA-N 0 0 423.567 4.868 50 0 HJAARN CCn1nc(C)cc1C(=O)N1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000015069984 558712157 /nfs/dbraw/zinc/71/21/57/558712157.db2.gz UYBUWSGVHONVIA-HXUWFJFHSA-N 0 0 417.509 4.739 50 0 HJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000029674248 558718735 /nfs/dbraw/zinc/71/87/35/558718735.db2.gz NTYWMXVIHOWMSZ-JOCHJYFZSA-N 0 0 404.441 4.666 50 0 HJAARN NC(=O)c1ccc(CN(Cc2cc(-c3ccc(Cl)cc3Cl)no2)C2CC2)cc1 ZINC000029718823 558719169 /nfs/dbraw/zinc/71/91/69/558719169.db2.gz IFVLBPLCZJQFIZ-UHFFFAOYSA-N 0 0 416.308 4.912 50 0 HJAARN O=C(COc1ccc(Cl)c(Cl)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000029778855 558720793 /nfs/dbraw/zinc/72/07/93/558720793.db2.gz BIZVYSKROBIGJV-QGZVFWFLSA-N 0 0 408.281 4.507 50 0 HJAARN Cc1ccc(Oc2ccccc2NC(=O)C[C@@H](NC(N)=O)c2ccccc2F)cc1 ZINC000029978907 558725392 /nfs/dbraw/zinc/72/53/92/558725392.db2.gz WXNQCXUPIVSONB-HXUWFJFHSA-N 0 0 407.445 4.665 50 0 HJAARN O=c1nc(C(F)(F)F)cc(C=Cc2ccc(-c3ccc(Br)cc3)o2)[nH]1 ZINC000015228897 558728901 /nfs/dbraw/zinc/72/89/01/558728901.db2.gz HWLMCZOQGVERSZ-AATRIKPKSA-N 0 0 411.177 4.982 50 0 HJAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cc3c(s2)-c2ccccc2OC3)c(C)c1 ZINC000030396123 558729937 /nfs/dbraw/zinc/72/99/37/558729937.db2.gz TVLCHLBMDAYXIW-UHFFFAOYSA-N 0 0 420.534 4.943 50 0 HJAARN Cc1c(CCNC(=O)c2ccc(C)cc2)sc2nc(-c3ccc(Cl)cc3)nn12 ZINC000004570257 558735082 /nfs/dbraw/zinc/73/50/82/558735082.db2.gz UCHGNDDRKXBTNM-UHFFFAOYSA-N 0 0 410.930 4.701 50 0 HJAARN COC(=O)c1cccc(Nc2c(-c3ccc(O)c(OC)c3)nc3ccc(Cl)cn32)c1 ZINC000015414421 558739003 /nfs/dbraw/zinc/73/90/03/558739003.db2.gz KCVZRVYPEFOUFU-UHFFFAOYSA-N 0 0 423.856 4.899 50 0 HJAARN CC(C)n1nc(C(=O)Oc2ccc(C3SCCS3)cc2)c2ccccc2c1=O ZINC000015579490 558744647 /nfs/dbraw/zinc/74/46/47/558744647.db2.gz ZKIMKOYITNXBKV-UHFFFAOYSA-N 0 0 412.536 4.675 50 0 HJAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(Cl)ccc1F ZINC000015610734 558746145 /nfs/dbraw/zinc/74/61/45/558746145.db2.gz IZWWZMBHBSKMON-UHFFFAOYSA-N 0 0 402.775 4.599 50 0 HJAARN Cc1cc(NC(=O)CN(CCC(C)C)C(=O)Nc2cccc(C(F)(F)F)c2)no1 ZINC000004571979 558746590 /nfs/dbraw/zinc/74/65/90/558746590.db2.gz PVKBAJSWMFVBPF-UHFFFAOYSA-N 0 0 412.412 4.521 50 0 HJAARN O=C(NCc1ccc(Cl)cc1)c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F ZINC000015659714 558747826 /nfs/dbraw/zinc/74/78/26/558747826.db2.gz UGSAJYOEHIPLJO-UHFFFAOYSA-N 0 0 420.778 4.592 50 0 HJAARN COc1ccc(OCC(=O)N(C)[C@H](c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000015670863 558748279 /nfs/dbraw/zinc/74/82/79/558748279.db2.gz FDZVQRWWWPSSRY-VWLOTQADSA-N 0 0 400.478 4.803 50 0 HJAARN C[C@@H]1Cc2ccccc2N1C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000072295233 558748308 /nfs/dbraw/zinc/74/83/08/558748308.db2.gz UJDXNCUAXCBRRZ-CQSZACIVSA-N 0 0 422.326 4.715 50 0 HJAARN CCCCC(=O)N[C@H](NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000015777205 558752594 /nfs/dbraw/zinc/75/25/94/558752594.db2.gz ZYVWJLWJZSPFBY-GFCCVEGCSA-N 0 0 417.189 4.629 50 0 HJAARN CCN1c2ccccc2/C(=C\c2nc3ccccc3c(=O)n2-c2ccc(C)cc2)C1=O ZINC000031829106 558752610 /nfs/dbraw/zinc/75/26/10/558752610.db2.gz PUNQTZWMAFMSOJ-LTGZKZEYSA-N 0 0 407.473 4.601 50 0 HJAARN COc1cc(Cl)cc2c1OC=CC(C(=O)Nc1cccc(C(=O)OC(C)C)c1)=C2 ZINC000015838727 558756474 /nfs/dbraw/zinc/75/64/74/558756474.db2.gz OYFGPKDSEBGSQK-UHFFFAOYSA-N 0 0 413.857 4.842 50 0 HJAARN Cc1ccc(CSc2nn(C)c3nc4c(c(=O)n23)C(C)(C)Cc2ccccc2-4)cc1 ZINC000015839282 558756526 /nfs/dbraw/zinc/75/65/26/558756526.db2.gz BRNDZYZLHIMRNQ-UHFFFAOYSA-N 0 0 416.550 4.529 50 0 HJAARN Cc1ccc(OCc2nc3ccccc3n2C[C@@H](O)COc2cccc(C)c2C)cc1 ZINC000015860764 558758423 /nfs/dbraw/zinc/75/84/23/558758423.db2.gz FAARKZJMZPEAIJ-OAQYLSRUSA-N 0 0 416.521 4.980 50 0 HJAARN CCSc1nnc2c(n1)O[C@H](c1ccc(CC)cc1)N(C(C)=O)c1ccccc1-2 ZINC000032997274 558758611 /nfs/dbraw/zinc/75/86/11/558758611.db2.gz UBOZPBABAKUHHL-OAQYLSRUSA-N 0 0 406.511 4.657 50 0 HJAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(C)cc1)N(C(C)=O)c1ccc(F)cc1-2 ZINC000032997886 558758999 /nfs/dbraw/zinc/75/89/99/558758999.db2.gz CZMSWZXSIGLMRD-FQEVSTJZSA-N 0 0 410.474 4.542 50 0 HJAARN Cn1nc(Br)nc1Sc1ccccc1NC(=O)c1cccc(Cl)c1 ZINC000015869061 558759753 /nfs/dbraw/zinc/75/97/53/558759753.db2.gz OSMWROAAXKTUMW-UHFFFAOYSA-N 0 0 423.723 4.635 50 0 HJAARN Cn1nc(Br)nc1Sc1ccccc1NC(=O)c1ccc(Cl)cc1 ZINC000015869063 558759765 /nfs/dbraw/zinc/75/97/65/558759765.db2.gz RKJBCZMFNKJTFJ-UHFFFAOYSA-N 0 0 423.723 4.635 50 0 HJAARN CC[C@@H](Oc1ccc(Br)cc1Cl)C(=O)Nc1nnc(C2CC2)s1 ZINC000015919257 558761927 /nfs/dbraw/zinc/76/19/27/558761927.db2.gz JDFSXIGDDGTTLY-LLVKDONJSA-N 0 0 416.728 4.628 50 0 HJAARN Cc1ccccc1NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000015945940 558763500 /nfs/dbraw/zinc/76/35/00/558763500.db2.gz FZYHOHKVGDIVSB-GOSISDBHSA-N 0 0 424.522 4.581 50 0 HJAARN CCc1ccc(C(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1 ZINC000033274138 558763820 /nfs/dbraw/zinc/76/38/20/558763820.db2.gz XQANOTQYFLIJOY-NRFANRHFSA-N 0 0 401.441 4.958 50 0 HJAARN CC[C@](C)(CCCNC(=O)c1cc2c(s1)-c1ccccc1OC2)C1OCCO1 ZINC000072306329 558765653 /nfs/dbraw/zinc/76/56/53/558765653.db2.gz XIVXVMUECZJVQS-JOCHJYFZSA-N 0 0 401.528 4.607 50 0 HJAARN Cc1cc(C(=O)COC(=O)c2c(C)onc2-c2ccccc2)c(C)n1Cc1ccco1 ZINC000004580635 558766730 /nfs/dbraw/zinc/76/67/30/558766730.db2.gz CSPITOQRNZIMOB-UHFFFAOYSA-N 0 0 418.449 4.749 50 0 HJAARN CC(C)(C)OC(=O)CCC(C)(C)Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1 ZINC000072307736 558766845 /nfs/dbraw/zinc/76/68/45/558766845.db2.gz FMNBCGKXPREILY-UHFFFAOYSA-N 0 0 410.440 4.870 50 0 HJAARN O=C(Nc1ccccc1C(=O)NC1CC1)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000016015721 558767192 /nfs/dbraw/zinc/76/71/92/558767192.db2.gz YFZITCMLBUTJRW-UHFFFAOYSA-N 0 0 419.095 4.840 50 0 HJAARN CC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)[C@H](C)Cc2cccs2)c1 ZINC000016091506 558771695 /nfs/dbraw/zinc/77/16/95/558771695.db2.gz CVWKANMQTKRSSI-QGZVFWFLSA-N 0 0 413.564 4.773 50 0 HJAARN O=C(CN(Cc1ccco1)C(=O)c1ccc(Cl)c(Cl)c1)Nc1ccccc1 ZINC000016182892 558775509 /nfs/dbraw/zinc/77/55/09/558775509.db2.gz QENNEGHSWIOHSW-UHFFFAOYSA-N 0 0 403.265 4.868 50 0 HJAARN COc1ccc(/C=C(/NC(=O)/C=C/c2ccccc2)C(=O)OCc2ccccc2)cc1 ZINC000016192379 558777192 /nfs/dbraw/zinc/77/71/92/558777192.db2.gz IHHCSRGOHYNLEJ-ANEVDTJVSA-N 0 0 413.473 4.609 50 0 HJAARN CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c1 ZINC000004585824 558781083 /nfs/dbraw/zinc/78/10/83/558781083.db2.gz RTTZHPSIFZGGIE-UHFFFAOYSA-N 0 0 406.463 4.541 50 0 HJAARN Cc1cccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2-n2cccc2)c1 ZINC000004586094 558781892 /nfs/dbraw/zinc/78/18/92/558781892.db2.gz NPOHDKIDUSORCL-UHFFFAOYSA-N 0 0 417.538 4.714 50 0 HJAARN CC1CCC2(CC1)N=C(c1ccccc1)C(=O)N2CC(=O)N(C)c1cccc(Cl)c1 ZINC000071327923 558783525 /nfs/dbraw/zinc/78/35/25/558783525.db2.gz FNDULWTWQQYEMM-UHFFFAOYSA-N 0 0 423.944 4.541 50 0 HJAARN CN(C(=O)c1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2O)c1)c1ccccc1 ZINC000072311412 558784198 /nfs/dbraw/zinc/78/41/98/558784198.db2.gz SGQYBPKBKKFMAR-UHFFFAOYSA-N 0 0 414.383 4.940 50 0 HJAARN CCOc1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc(OCC)c1OCC ZINC000016301165 558784692 /nfs/dbraw/zinc/78/46/92/558784692.db2.gz DYUJXYAMUCIGHY-UHFFFAOYSA-N 0 0 411.420 4.832 50 0 HJAARN COc1cccc([C@@H](CC(=O)NCc2ccccc2)c2cnc3n2[C@@H](C)CCC3)c1 ZINC000034919270 558787575 /nfs/dbraw/zinc/78/75/75/558787575.db2.gz AUUFLAAZDKVEHW-PGRDOPGGSA-N 0 0 403.526 4.627 50 0 HJAARN Cc1cccc(-c2nc(CC(=O)N[C@@H](C)[C@@H](O)c3c(F)cccc3Cl)cs2)c1 ZINC000072311626 558788502 /nfs/dbraw/zinc/78/85/02/558788502.db2.gz XTBCRMXRNJWDGK-RNODOKPDSA-N 0 0 418.921 4.692 50 0 HJAARN Cc1cc(Cl)ccc1Oc1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000035253758 558789222 /nfs/dbraw/zinc/78/92/22/558789222.db2.gz ZSSABHZIBVKWFO-UHFFFAOYSA-N 0 0 421.928 4.794 50 0 HJAARN COc1ccc(Br)cc1C1=N/C(=C\c2ccc(SC)cc2)C(=O)O1 ZINC000004589876 558789500 /nfs/dbraw/zinc/78/95/00/558789500.db2.gz OFGPDLOFJXNZHI-DHDCSXOGSA-N 0 0 404.285 4.524 50 0 HJAARN O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc(-c2cccc(F)c2)o1 ZINC000016399183 558789667 /nfs/dbraw/zinc/78/96/67/558789667.db2.gz DGMKYYRHWCYTLF-UHFFFAOYSA-N 0 0 400.837 4.828 50 0 HJAARN Cc1ccc(-n2ncc(C(=O)N3CC[C@H]4[C@@H](C(F)(F)F)[C@H]43)c2C2CC2)cc1Cl ZINC000072311697 558790964 /nfs/dbraw/zinc/79/09/64/558790964.db2.gz CDISECXJXZKZIW-XCRHUMRWSA-N 0 0 409.839 4.734 50 0 HJAARN O=C(NC(=S)Nc1ccc(Br)cn1)c1cccc2c(Cl)cccc12 ZINC000016431572 558791442 /nfs/dbraw/zinc/79/14/42/558791442.db2.gz QDCBLMSKFDULQB-UHFFFAOYSA-N 0 0 420.719 4.778 50 0 HJAARN COc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1ccc(Br)o1 ZINC000016488636 558794383 /nfs/dbraw/zinc/79/43/83/558794383.db2.gz DKLTVSIJCNWSDR-UHFFFAOYSA-N 0 0 424.254 4.913 50 0 HJAARN CN(C)c1ccc(-c2nc3ncccn3c2Nc2ccc(Br)cc2)cc1 ZINC000035616478 558794689 /nfs/dbraw/zinc/79/46/89/558794689.db2.gz XZKSXCCIURIWKE-UHFFFAOYSA-N 0 0 408.303 4.968 50 0 HJAARN O=C(CN(Cc1c(F)cccc1F)C1CC1)N1CCS[C@@H]1c1ccccc1Cl ZINC000035843653 558795460 /nfs/dbraw/zinc/79/54/60/558795460.db2.gz CRQDZFUTMPVMJN-OAQYLSRUSA-N 0 0 422.928 4.857 50 0 HJAARN COP(=O)(OC)c1nc(-c2ccc(Cl)cc2)oc1NCc1ccc(F)cc1 ZINC000016750890 558804588 /nfs/dbraw/zinc/80/45/88/558804588.db2.gz SUIVYHFAMCGJQS-UHFFFAOYSA-N 0 0 410.769 4.857 50 0 HJAARN CN(Cc1ccccc1)C(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983810 558804673 /nfs/dbraw/zinc/80/46/73/558804673.db2.gz SQRPMJUOVRLCNW-HMAPJEAMSA-N 0 0 418.880 4.984 50 0 HJAARN CC[C@H](NC(=O)CCNC(=O)c1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000032983840 558804771 /nfs/dbraw/zinc/80/47/71/558804771.db2.gz MAIJFJINULTSNB-SXYIGIQMSA-N 0 0 402.966 4.571 50 0 HJAARN O=C(NCc1ccccc1)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)O2 ZINC000032983808 558804777 /nfs/dbraw/zinc/80/47/77/558804777.db2.gz BQQJKNPYSOOOQJ-FYJGNVAPSA-N 0 0 404.853 4.642 50 0 HJAARN CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Br)c1 ZINC000016751657 558804888 /nfs/dbraw/zinc/80/48/88/558804888.db2.gz MKTUOVIULKVWFJ-GOSISDBHSA-N 0 0 412.283 4.901 50 0 HJAARN O=C(NCc1ccc(F)cc1)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)O2 ZINC000032983969 558804967 /nfs/dbraw/zinc/80/49/67/558804967.db2.gz CKPQJHRHWWQLQK-SRZZPIQSSA-N 0 0 422.843 4.781 50 0 HJAARN Cc1cc2nc(Cc3ccccc3Cl)n(CC(=O)NCc3ccncc3)c2cc1C ZINC000037398306 558804969 /nfs/dbraw/zinc/80/49/69/558804969.db2.gz XZALPOHRRFEJAF-UHFFFAOYSA-N 0 0 418.928 4.609 50 0 HJAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)N3CCN(CC)CC3)cc21 ZINC000032986635 558806667 /nfs/dbraw/zinc/80/66/67/558806667.db2.gz AUXLTDRODWTZFB-UHFFFAOYSA-N 0 0 423.944 4.732 50 0 HJAARN O=C(CSc1nccn2nc(-c3ccc(F)cc3)cc12)Nc1cccc(Cl)c1 ZINC000016841212 558808175 /nfs/dbraw/zinc/80/81/75/558808175.db2.gz NNEWIDFJGWTJNS-UHFFFAOYSA-N 0 0 412.877 4.920 50 0 HJAARN COc1ccccc1-c1cc2c(SCC(=O)Nc3ccc(Cl)cc3)nccn2n1 ZINC000016842051 558808323 /nfs/dbraw/zinc/80/83/23/558808323.db2.gz KWIALXVTLYFCFW-UHFFFAOYSA-N 0 0 424.913 4.789 50 0 HJAARN Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)n1 ZINC000017013130 558811607 /nfs/dbraw/zinc/81/16/07/558811607.db2.gz QCGYLRBIFXGWIG-UHFFFAOYSA-N 0 0 406.465 4.912 50 0 HJAARN Cc1ccc(NC(=O)[C@H]2CC(=O)N=C(Nc3ccc(F)c(Cl)c3)S2)cc1C ZINC000017043618 558812775 /nfs/dbraw/zinc/81/27/75/558812775.db2.gz KWEIWQRVHZNWEL-MRXNPFEDSA-N 0 0 405.882 4.535 50 0 HJAARN Cc1ccc(-c2csc3c2ncn(CC(=O)Nc2cc(C)cc(C)c2)c3=O)cc1 ZINC000038651718 558813343 /nfs/dbraw/zinc/81/33/43/558813343.db2.gz VZYHMLQKVCSYRB-UHFFFAOYSA-N 0 0 403.507 4.689 50 0 HJAARN Cc1c(-c2cc(-c3cnn(C)c3C)n(-c3ccc(Cl)cc3Cl)n2)cnn1C ZINC000017082138 558814166 /nfs/dbraw/zinc/81/41/66/558814166.db2.gz JCJLTHCPYLZXSR-UHFFFAOYSA-N 0 0 401.301 4.597 50 0 HJAARN CN(C)c1cccc(-c2nnc(SCc3cccc(Br)c3)n2C)c1 ZINC000017082619 558814836 /nfs/dbraw/zinc/81/48/36/558814836.db2.gz WTGZVWYZCKIEBX-UHFFFAOYSA-N 0 0 403.349 4.603 50 0 HJAARN O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)C(c1ccccc1)c1ccccc1 ZINC000017083038 558815503 /nfs/dbraw/zinc/81/55/03/558815503.db2.gz YMZILMWWYYQOMB-UHFFFAOYSA-N 0 0 404.579 4.634 50 0 HJAARN COc1ccccc1CNC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000017089122 558817772 /nfs/dbraw/zinc/81/77/72/558817772.db2.gz QTMMRZAMRCYZMD-UHFFFAOYSA-N 0 0 412.445 4.569 50 0 HJAARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1nn(Cc2ccc(Cl)cc2Cl)cc1Cl ZINC000017089378 558817997 /nfs/dbraw/zinc/81/79/97/558817997.db2.gz QCSWQQDTZIGOSD-BETUJISGSA-N 0 0 412.704 4.571 50 0 HJAARN Cn1nc(C2CC2)c2c1nc(C1CC1)cc2C1N=NC(=S)N1CCc1ccccc1 ZINC000017090829 558819561 /nfs/dbraw/zinc/81/95/61/558819561.db2.gz QEAJPTNYIMBQFC-UHFFFAOYSA-N 0 0 416.554 4.513 50 0 HJAARN Cc1cc2c([nH]c(=S)n(-c3cnn(Cc4ccc(Cl)cc4Cl)c3)c2=O)s1 ZINC000017093486 558821937 /nfs/dbraw/zinc/82/19/37/558821937.db2.gz IUUDUSYMKWIXEE-UHFFFAOYSA-N 0 0 423.350 4.970 50 0 HJAARN O=C(N/C=C\NC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000017112041 558822647 /nfs/dbraw/zinc/82/26/47/558822647.db2.gz VXXJUCCLVNLXCZ-WAYWQWQTSA-N 0 0 404.080 4.931 50 0 HJAARN CNS(=O)(=O)c1cc(-c2nnc(Nc3ccc(C)cc3)c3ccccc32)ccc1C ZINC000017122640 558823120 /nfs/dbraw/zinc/82/31/20/558823120.db2.gz DIRNNFZLTPRZQR-UHFFFAOYSA-N 0 0 418.522 4.565 50 0 HJAARN COc1ccc(CN(C)C(=O)c2cc3c(s2)CCCCCC3)c(OC)c1OC ZINC000032999656 558826143 /nfs/dbraw/zinc/82/61/43/558826143.db2.gz IRLMDSJDISTYHC-UHFFFAOYSA-N 0 0 403.544 4.705 50 0 HJAARN Cc1ccc(CNc2nc(-c3ccco3)nn2C(=O)COc2ccc(Cl)cc2)cc1 ZINC000033000207 558826341 /nfs/dbraw/zinc/82/63/41/558826341.db2.gz XVBCUNYYOWBZRX-UHFFFAOYSA-N 0 0 422.872 4.831 50 0 HJAARN COc1ccc(-c2noc(CCCC(=O)Nc3cccc(Cl)c3C)n2)cc1OC ZINC000033000110 558826673 /nfs/dbraw/zinc/82/66/73/558826673.db2.gz VNZHXTVXOGSDLY-UHFFFAOYSA-N 0 0 415.877 4.677 50 0 HJAARN CCOc1ccc(NC(=O)CN2c3ccccc3S[C@H](c3ccco3)CC2=O)cc1 ZINC000017307830 558826869 /nfs/dbraw/zinc/82/68/69/558826869.db2.gz CMDRWPZARZZCGJ-NRFANRHFSA-N 0 0 422.506 4.887 50 0 HJAARN CCOc1ccccc1NC(=O)CSc1nccn2nc(-c3ccc(C)cc3)cc12 ZINC000017315976 558826981 /nfs/dbraw/zinc/82/69/81/558826981.db2.gz BQINFZBEMQLQKM-UHFFFAOYSA-N 0 0 418.522 4.834 50 0 HJAARN CCN(CC)c1ccc(NC(=O)CCn2c3cc(C)c(C)cc3nc(C)c2=O)c(C)c1 ZINC000033005628 558827502 /nfs/dbraw/zinc/82/75/02/558827502.db2.gz BAHSSNJKBRFSMY-UHFFFAOYSA-N 0 0 420.557 4.505 50 0 HJAARN CCC(=O)Nc1nc2c(cc(NC(=O)Nc3ccc(C)c(F)c3)cc2OC)s1 ZINC000033008459 558828044 /nfs/dbraw/zinc/82/80/44/558828044.db2.gz CVYQTKVQDVMKOZ-UHFFFAOYSA-N 0 0 402.451 4.745 50 0 HJAARN CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 ZINC000017987698 558829257 /nfs/dbraw/zinc/82/92/57/558829257.db2.gz PLQJMFHKHHNQDD-SFTDATJTSA-N 0 0 404.510 4.743 50 0 HJAARN CCC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(CCc2ccccc2)c1=O ZINC000033012245 558832103 /nfs/dbraw/zinc/83/21/03/558832103.db2.gz FMWUYKCWTQZCKY-UHFFFAOYSA-N 0 0 411.505 4.963 50 0 HJAARN COc1ccc(C(=O)Nc2cccc(-c3nc(-c4ccccc4)no3)c2)cc1OC ZINC000033012714 558832570 /nfs/dbraw/zinc/83/25/70/558832570.db2.gz SKOGUTMXNUILBH-UHFFFAOYSA-N 0 0 401.422 4.673 50 0 HJAARN COc1ccc(NC(=O)c2ccccc2OCc2nc(-c3ccccc3)no2)cc1 ZINC000033012838 558832620 /nfs/dbraw/zinc/83/26/20/558832620.db2.gz JHVUGLKKBVINAV-UHFFFAOYSA-N 0 0 401.422 4.577 50 0 HJAARN CC(=O)c1ccc(NC(=O)c2ccccc2OCc2nc(-c3ccccc3)no2)cc1 ZINC000033012868 558832822 /nfs/dbraw/zinc/83/28/22/558832822.db2.gz WXZUIDYCWGAEFA-UHFFFAOYSA-N 0 0 413.433 4.771 50 0 HJAARN Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)c2c(C)[nH]c3ccccc32)cc1 ZINC000004596690 558832957 /nfs/dbraw/zinc/83/29/57/558832957.db2.gz PRJBTWVZDVJFPF-UHFFFAOYSA-N 0 0 418.449 4.700 50 0 HJAARN O=S(=O)(c1cccc2cccnc21)N(CCc1ccccc1)Cc1ccccc1 ZINC000004598098 558833957 /nfs/dbraw/zinc/83/39/57/558833957.db2.gz OBPOUFADANAOBC-UHFFFAOYSA-N 0 0 402.519 4.668 50 0 HJAARN CCCCCc1c(C)nn(-c2nc(CC(=O)Nc3nc4ccccc4[nH]3)cs2)c1C ZINC000033019394 558835904 /nfs/dbraw/zinc/83/59/04/558835904.db2.gz AJGDNYSVDJOAMN-UHFFFAOYSA-N 0 0 422.558 4.736 50 0 HJAARN Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)Nc3ccc4c(c3)OCCO4)c12 ZINC000010641739 558836244 /nfs/dbraw/zinc/83/62/44/558836244.db2.gz BLDWMWZOANMYJF-UHFFFAOYSA-N 0 0 401.422 4.530 50 0 HJAARN CC[C@H](C)NS(=O)(=O)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)sc1C ZINC000046141310 558839869 /nfs/dbraw/zinc/83/98/69/558839869.db2.gz SSEQOSINYOMWKN-JTQLQIEISA-N 0 0 411.936 4.504 50 0 HJAARN COc1cc(NC(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)cc(OC)c1 ZINC000072314273 558843462 /nfs/dbraw/zinc/84/34/62/558843462.db2.gz RWGUAHCMEHCMHC-QGZVFWFLSA-N 0 0 406.486 4.505 50 0 HJAARN Cc1cccc(C)c1NC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 ZINC000013583480 558845267 /nfs/dbraw/zinc/84/52/67/558845267.db2.gz MTDPPZZXDZTKAC-UHFFFAOYSA-N 0 0 420.534 4.697 50 0 HJAARN CCc1ccccc1NC(=O)NCCc1nc2cccnc2n1Cc1ccc(C)cc1 ZINC000033025490 558845866 /nfs/dbraw/zinc/84/58/66/558845866.db2.gz RBCZSOMNVIRDMW-UHFFFAOYSA-N 0 0 413.525 4.715 50 0 HJAARN COc1cccc(-c2nc(CN3CCC[C@H](OCc4ccccc4)C3)c(C)o2)c1OC ZINC000019220923 558851761 /nfs/dbraw/zinc/85/17/61/558851761.db2.gz UGFOCNWAHMLJFF-FQEVSTJZSA-N 0 0 422.525 4.848 50 0 HJAARN O=c1oc2c(ccc3c2CN(Cc2ccncc2)CO3)cc1-c1ccc(Cl)cc1 ZINC000013684191 558854629 /nfs/dbraw/zinc/85/46/29/558854629.db2.gz UFJFSVUJQPYAIV-UHFFFAOYSA-N 0 0 404.853 4.861 50 0 HJAARN COc1ccc2c(c1)oc(C)c(Oc1ccc(C(=O)Nc3cccnc3)cc1)c2=O ZINC000013690157 558855290 /nfs/dbraw/zinc/85/52/90/558855290.db2.gz ZMHUOTLJNFOKEO-UHFFFAOYSA-N 0 0 402.406 4.550 50 0 HJAARN CC(C)c1cc(C(=O)NCc2cccnc2Oc2cccc(C(F)(F)F)c2)[nH]n1 ZINC000067974686 558862575 /nfs/dbraw/zinc/86/25/75/558862575.db2.gz JJPAMUPDJUCGEA-UHFFFAOYSA-N 0 0 404.392 4.669 50 0 HJAARN O=C(c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000068740915 558864735 /nfs/dbraw/zinc/86/47/35/558864735.db2.gz UKNFITGWTLYKCA-UHFFFAOYSA-N 0 0 422.325 4.542 50 0 HJAARN COC(=O)c1ccc(C(=O)N(C[C@H]2CCCO2)c2nc3c(s2)c(C)ccc3C)cc1 ZINC000011143109 558865818 /nfs/dbraw/zinc/86/58/18/558865818.db2.gz RVLOCFHMWFFKJI-GOSISDBHSA-N 0 0 424.522 4.526 50 0 HJAARN COC(=O)c1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(s2)c(C)ccc3C)cc1 ZINC000011143108 558866006 /nfs/dbraw/zinc/86/60/06/558866006.db2.gz RVLOCFHMWFFKJI-SFHVURJKSA-N 0 0 424.522 4.526 50 0 HJAARN Cc1oc(-c2ccc(C)cc2)nc1CN1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000033085167 558869135 /nfs/dbraw/zinc/86/91/35/558869135.db2.gz HJCXTCKNEDWIAO-UHFFFAOYSA-N 0 0 404.514 4.617 50 0 HJAARN CCOC(=O)C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(OCC)cc1 ZINC000004653342 558869587 /nfs/dbraw/zinc/86/95/87/558869587.db2.gz NXNDEDCFVGBNIE-GOSISDBHSA-N 0 0 410.297 4.816 50 0 HJAARN CCOC(=O)C[C@@H](NC(=O)c1c(Cl)cccc1Cl)c1ccc(OCC)cc1 ZINC000004653336 558869602 /nfs/dbraw/zinc/86/96/02/558869602.db2.gz HGIXKUUSRFBFNR-QGZVFWFLSA-N 0 0 410.297 4.816 50 0 HJAARN Clc1cncc(Cl)c1CN(Cc1cccnc1)Cc1ccc2c(c1)OCO2 ZINC000055107571 558872604 /nfs/dbraw/zinc/87/26/04/558872604.db2.gz LMNYKEMSOMHWPD-UHFFFAOYSA-N 0 0 402.281 4.715 50 0 HJAARN O=C(CSc1nc(C(F)(F)F)nc2ccccc21)N1CCC[C@H]2CCCC[C@H]21 ZINC000019354850 558875665 /nfs/dbraw/zinc/87/56/65/558875665.db2.gz BIHLQEJWPWIFQH-CZUORRHYSA-N 0 0 409.477 4.922 50 0 HJAARN Cc1ccc(-c2ccsc2C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC000019357584 558875925 /nfs/dbraw/zinc/87/59/25/558875925.db2.gz BIHOQTCRJWKDGY-UHFFFAOYSA-N 0 0 410.882 4.742 50 0 HJAARN Cc1nc2ncnn2c(Sc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1C ZINC000033121860 558878818 /nfs/dbraw/zinc/87/88/18/558878818.db2.gz WRGXDJQDIPINRE-UHFFFAOYSA-N 0 0 409.902 4.798 50 0 HJAARN CCc1cc(Sc2ccc(NC(=O)Nc3ccccc3F)cc2)n2ncnc2n1 ZINC000033122227 558878945 /nfs/dbraw/zinc/87/89/45/558878945.db2.gz GOJXYEQOSWTMAG-UHFFFAOYSA-N 0 0 408.462 4.621 50 0 HJAARN FC(F)(F)c1cccc(NC(=S)N2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000055514929 558881801 /nfs/dbraw/zinc/88/18/01/558881801.db2.gz AWVDENVPPJPINI-VMPITWQZSA-N 0 0 405.489 4.733 50 0 HJAARN O=C(NCCC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)Nc1ccccc1 ZINC000033125754 558883636 /nfs/dbraw/zinc/88/36/36/558883636.db2.gz XYAJHOVIVOCNIP-UHFFFAOYSA-N 0 0 400.910 4.796 50 0 HJAARN C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=S)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000004672526 558884592 /nfs/dbraw/zinc/88/45/92/558884592.db2.gz KDEDZFKMPLGYIV-UTKZUKDTSA-N 0 0 419.610 4.530 50 0 HJAARN COc1ccc(NC(=O)Nc2c(=O)oc3ccccc3c2NC2CCCC2)cc1OC ZINC000096315513 558884870 /nfs/dbraw/zinc/88/48/70/558884870.db2.gz ZAFQANSDJBNGCX-UHFFFAOYSA-N 0 0 423.469 4.809 50 0 HJAARN CC(C)(C)OC(=O)Nc1ccc(C(=O)OCc2nnc(-c3cccs3)o2)cc1 ZINC000019426286 558885556 /nfs/dbraw/zinc/88/55/56/558885556.db2.gz MIRSVOGUJQANNY-UHFFFAOYSA-N 0 0 401.444 4.502 50 0 HJAARN O=C(c1ccc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)cc1)N1CCCC1 ZINC000033130281 558886368 /nfs/dbraw/zinc/88/63/68/558886368.db2.gz PYJMUKITMOUDRS-UHFFFAOYSA-N 0 0 424.497 4.530 50 0 HJAARN COc1ccccc1Oc1ccc(-c2ccc(C(=O)NCc3ccccc3)cc2)nn1 ZINC000033130884 558887345 /nfs/dbraw/zinc/88/73/45/558887345.db2.gz VYZSJIUYODWFQT-UHFFFAOYSA-N 0 0 411.461 4.875 50 0 biogenic HJAARN CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)o1 ZINC000014152375 558892517 /nfs/dbraw/zinc/89/25/17/558892517.db2.gz IHEXXPCVWYTUAV-UHFFFAOYSA-N 0 0 423.416 4.885 50 0 HJAARN C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000057994972 558893391 /nfs/dbraw/zinc/89/33/91/558893391.db2.gz MYRNJIQMNYQWDR-DGCLKSJQSA-N 0 0 415.342 4.563 50 0 HJAARN Cc1ccc(Sc2nccnc2N2CCC[C@@H](C(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000033168686 558898149 /nfs/dbraw/zinc/89/81/49/558898149.db2.gz BBXRVWGOXLXTCN-QGZVFWFLSA-N 0 0 422.529 4.930 50 0 HJAARN Cc1cccc(Sc2nccnc2N2CCC[C@H](C(=O)Nc3ccc(F)cc3)C2)c1 ZINC000033168887 558898588 /nfs/dbraw/zinc/89/85/88/558898588.db2.gz ZYMNALICYHWALO-KRWDZBQOSA-N 0 0 422.529 4.930 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)CSc1ncnc2c3cc(F)ccc3[nH]c21 ZINC000033172677 558901216 /nfs/dbraw/zinc/90/12/16/558901216.db2.gz NJLBNVCMCKRRMU-UHFFFAOYSA-N 0 0 400.866 4.943 50 0 HJAARN COc1ccc(NC(=O)[C@@H]2CCCN(c3nccc4sccc43)C2)cc1Cl ZINC000033174308 558902293 /nfs/dbraw/zinc/90/22/93/558902293.db2.gz OUTGCNHAVQPKKJ-CYBMUJFWSA-N 0 0 401.919 4.813 50 0 HJAARN O=C(Nc1cc(NC(=O)N2CCO[C@H]3CCCC[C@H]32)ccc1F)C1CCCCC1 ZINC000058158843 558904116 /nfs/dbraw/zinc/90/41/16/558904116.db2.gz ABISGOLJCRDKNP-UXHICEINSA-N 0 0 403.498 4.520 50 0 HJAARN Cc1cc(=O)oc2cc(NC(=O)N(C)Cc3ccccc3Br)ccc12 ZINC000058158853 558904177 /nfs/dbraw/zinc/90/41/77/558904177.db2.gz BCFCOSBZUVDQQC-UHFFFAOYSA-N 0 0 401.260 4.528 50 0 HJAARN Fc1cccc(Cl)c1CN1CCN(c2nc(C(F)(F)F)nc3ccccc32)CC1 ZINC000058160789 558905304 /nfs/dbraw/zinc/90/53/04/558905304.db2.gz YUCMYSONUMTFOQ-UHFFFAOYSA-N 0 0 424.829 4.763 50 0 HJAARN CC(=O)c1ccc(SCC(=O)Nc2c(-c3ccccc3)ncn2C2CC2)c(F)c1 ZINC000058162043 558905896 /nfs/dbraw/zinc/90/58/96/558905896.db2.gz DAUKFUOUJRIWJT-UHFFFAOYSA-N 0 0 409.486 4.958 50 0 HJAARN Cc1sc2nc(-c3cccs3)nc(N3CCN(Cc4ccncc4)CC3)c2c1C ZINC000058171210 558908139 /nfs/dbraw/zinc/90/81/39/558908139.db2.gz SCDJFFKAALFQKZ-UHFFFAOYSA-N 0 0 421.595 4.754 50 0 HJAARN CC(C)C[C@@H](NC(=O)CCS(=O)(=O)C1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000058217429 558912556 /nfs/dbraw/zinc/91/25/56/558912556.db2.gz LZYLGZPNHVYKHL-GOSISDBHSA-N 0 0 419.509 4.656 50 0 HJAARN CCC[C@H](NC(=O)CCCNC(=O)c1ccsc1)c1cccc(C(F)(F)F)c1 ZINC000058218090 558912734 /nfs/dbraw/zinc/91/27/34/558912734.db2.gz WOJDKSLTLYVVCD-KRWDZBQOSA-N 0 0 412.477 4.935 50 0 HJAARN Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000058218430 558912768 /nfs/dbraw/zinc/91/27/68/558912768.db2.gz IPUIHQCHYPASRO-INIZCTEOSA-N 0 0 419.447 4.688 50 0 HJAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1cccc(C)c1 ZINC000004703957 558913365 /nfs/dbraw/zinc/91/33/65/558913365.db2.gz ZNFXTDZQVYCOJZ-UHFFFAOYSA-N 0 0 417.490 4.939 50 0 HJAARN Cc1ccsc1CN(C)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000060568269 558914268 /nfs/dbraw/zinc/91/42/68/558914268.db2.gz CVHKYQYWEGGNNW-UHFFFAOYSA-N 0 0 417.396 4.915 50 0 HJAARN COc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cccc(OC)c4)=NN32)cc1 ZINC000004715805 558915261 /nfs/dbraw/zinc/91/52/61/558915261.db2.gz STCGKIDPWPTCEK-WIOPSUGQSA-N 0 0 416.477 4.955 50 0 HJAARN CC[C@H](NC(=O)N(C)CC(=O)Nc1c(C)cccc1C)C12CC3CC(CC(C3)C1)C2 ZINC000058291606 558916882 /nfs/dbraw/zinc/91/68/82/558916882.db2.gz FHCSNOVVJKMYJE-OOTRUBSTSA-N 0 0 411.590 4.878 50 0 HJAARN CCOc1ccc(CNC(=O)c2ccc(Cl)c(-n3c(C)nc4cccnc43)c2)cc1 ZINC000033249851 558918808 /nfs/dbraw/zinc/91/88/08/558918808.db2.gz FSMIIGXTLMLGHX-UHFFFAOYSA-N 0 0 420.900 4.711 50 0 HJAARN Cc1cc2nc(C(F)(F)F)c(=O)n(CC(=O)Nc3ccc(C(C)C)cc3)c2cc1C ZINC000033251066 558919477 /nfs/dbraw/zinc/91/94/77/558919477.db2.gz QJNPHZWRYXFHFH-UHFFFAOYSA-N 0 0 417.431 4.794 50 0 HJAARN CSc1ccc(CNC(=O)c2cc(C)nc3ccc(Br)cc32)cc1 ZINC000033252822 558921079 /nfs/dbraw/zinc/92/10/79/558921079.db2.gz RRDNKHGMHDBRRW-UHFFFAOYSA-N 0 0 401.329 4.958 50 0 HJAARN Cc1nccn1-c1ccc(CNC(=O)c2[nH]c3ccc(F)cc3c2Cl)cc1F ZINC000058357862 558921750 /nfs/dbraw/zinc/92/17/50/558921750.db2.gz QDZCONZRTYIWLE-UHFFFAOYSA-N 0 0 400.816 4.524 50 0 HJAARN COC(=O)C1(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)CCCCC1 ZINC000058403046 558924129 /nfs/dbraw/zinc/92/41/29/558924129.db2.gz KPMHXYWETSEVPJ-UHFFFAOYSA-N 0 0 400.525 4.631 50 0 HJAARN CC(C)NC(=O)Nc1ccc(-c2noc(-c3ccccc3Br)n2)cc1 ZINC000033257190 558924242 /nfs/dbraw/zinc/92/42/42/558924242.db2.gz XENNOOKEPLGNBK-UHFFFAOYSA-N 0 0 401.264 4.696 50 0 HJAARN Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C)Cc3ccc(Br)cc3)c12 ZINC000058404780 558924374 /nfs/dbraw/zinc/92/43/74/558924374.db2.gz LVSDKKYCOYUPSM-NSHDSACASA-N 0 0 414.303 4.532 50 0 HJAARN Cc1nccc(C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)n1 ZINC000058406480 558924512 /nfs/dbraw/zinc/92/45/12/558924512.db2.gz NHIALESVDNNANY-UHFFFAOYSA-N 0 0 412.824 4.757 50 0 HJAARN COc1ccc([C@@H]2CCCCCN2C(=O)Nc2cccc(N3CCOC3=O)c2)cc1 ZINC000058407777 558925013 /nfs/dbraw/zinc/92/50/13/558925013.db2.gz DVWRYMGITMGHQQ-NRFANRHFSA-N 0 0 409.486 4.801 50 0 HJAARN C[C@H](c1nc2ccccc2s1)N(C)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000058413382 558925188 /nfs/dbraw/zinc/92/51/88/558925188.db2.gz JRTKFYVZDUTRQE-SNVBAGLBSA-N 0 0 418.437 4.836 50 0 HJAARN O=C(NCCc1ccc(Br)s1)c1cccnc1Nc1cccc(F)c1 ZINC000058414306 558925225 /nfs/dbraw/zinc/92/52/25/558925225.db2.gz XHIQVDWIPCBMAU-UHFFFAOYSA-N 0 0 420.307 4.761 50 0 HJAARN Cc1nn(-c2ccc(-c3noc(C4CC4)n3)cc2)cc1C(=O)Nc1cc(C)cc(C)c1 ZINC000033258671 558925756 /nfs/dbraw/zinc/92/57/56/558925756.db2.gz JTUSHONWSFQDOR-UHFFFAOYSA-N 0 0 413.481 4.977 50 0 HJAARN Cc1nn(-c2ccc(-c3noc(C4CC4)n3)cc2)cc1C(=O)Nc1ccc(F)cc1F ZINC000033258653 558925770 /nfs/dbraw/zinc/92/57/70/558925770.db2.gz ZZIIKEAPIKIITE-UHFFFAOYSA-N 0 0 421.407 4.639 50 0 HJAARN CC(C)CN(CC(F)(F)F)C(=O)c1cc(Br)c(Br)s1 ZINC000058910257 558930680 /nfs/dbraw/zinc/93/06/80/558930680.db2.gz JMIGLDHTHAGKDJ-UHFFFAOYSA-N 0 0 423.092 4.934 50 0 HJAARN COc1ccc(-c2noc(CSc3ccc(-c4ccc(C)cc4)nn3)n2)cc1OC ZINC000033262443 558931286 /nfs/dbraw/zinc/93/12/86/558931286.db2.gz VDJLKQAJCSZVOZ-UHFFFAOYSA-N 0 0 420.494 4.812 50 0 HJAARN CC(C)(C)OC(=O)Nc1cccc(C(=O)NCCOc2cccc(C(F)(F)F)c2)c1 ZINC000059309200 558933851 /nfs/dbraw/zinc/93/38/51/558933851.db2.gz WGJCCYQTIYBQIE-UHFFFAOYSA-N 0 0 424.419 4.861 50 0 HJAARN CC(C)(C)OC(=O)Nc1cccc(C(=O)NCCOc2ccc(C(F)(F)F)cc2)c1 ZINC000059309299 558933853 /nfs/dbraw/zinc/93/38/53/558933853.db2.gz GARPONCUYBQVKD-UHFFFAOYSA-N 0 0 424.419 4.861 50 0 HJAARN CSc1ccc(-c2ccc(=O)n(CC(=O)c3ccc(Cl)cc3Cl)n2)cc1 ZINC000072401538 558936188 /nfs/dbraw/zinc/93/61/88/558936188.db2.gz DCQHOSLOSGNTOC-UHFFFAOYSA-N 0 0 405.306 4.822 50 0 HJAARN Cc1cc(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)n(C)n1 ZINC000059592847 558937650 /nfs/dbraw/zinc/93/76/50/558937650.db2.gz WUBGBFBHGCFCIU-UHFFFAOYSA-N 0 0 419.916 4.507 50 0 HJAARN COc1ccc(C)cc1NC(=O)NCCc1nc2cccnc2n1C1CCCCC1 ZINC000033263713 558942640 /nfs/dbraw/zinc/94/26/40/558942640.db2.gz LPSIBGOGJRODHW-UHFFFAOYSA-N 0 0 407.518 4.618 50 0 HJAARN CCn1c(-c2ccc(C)cc2)csc1=Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000254380996 558944439 /nfs/dbraw/zinc/94/44/39/558944439.db2.gz QQVZHIVKAACNIN-UHFFFAOYSA-N 0 0 404.539 4.575 50 0 HJAARN COC(=O)c1ccc(C)c(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c1 ZINC000011205312 558947415 /nfs/dbraw/zinc/94/74/15/558947415.db2.gz IGHFVKOUQSPGQA-UHFFFAOYSA-N 0 0 418.453 4.620 50 0 HJAARN Cc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4F)[nH]c(=O)c32)c(C)c1 ZINC000021784274 558949648 /nfs/dbraw/zinc/94/96/48/558949648.db2.gz PAUTXICXDKJYJX-MRXNPFEDSA-N 0 0 409.486 4.705 50 0 HJAARN Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1ccc(OC(C)C)cc1)SCC(=O)N2 ZINC000021785423 558950129 /nfs/dbraw/zinc/95/01/29/558950129.db2.gz SLZRBVYKNLKDAT-NRFANRHFSA-N 0 0 411.502 4.882 50 0 HJAARN CC[C@H](C)N1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021809824 558953025 /nfs/dbraw/zinc/95/30/25/558953025.db2.gz XGBDXOCNGZCBCQ-OYHNWAKOSA-N 0 0 401.576 4.555 50 0 HJAARN CCn1c(COc2ccccc2)nnc1SCc1cc(=O)c2c(C)ccc(C)c2[nH]1 ZINC000033063736 558956784 /nfs/dbraw/zinc/95/67/84/558956784.db2.gz ZOEMIGKMXBNEFJ-UHFFFAOYSA-N 0 0 420.538 4.628 50 0 HJAARN Cc1cccc(NC(=O)Nc2ccc(OCc3cc(=O)n4cccc(C)c4n3)cc2)c1 ZINC000033067888 558958101 /nfs/dbraw/zinc/95/81/01/558958101.db2.gz FRWGRCPWEASIAA-UHFFFAOYSA-N 0 0 414.465 4.534 50 0 HJAARN Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)Nc1ccccc1F ZINC000064450468 558963311 /nfs/dbraw/zinc/96/33/11/558963311.db2.gz OZEBWFQYKPMODH-UHFFFAOYSA-N 0 0 415.471 4.713 50 0 HJAARN Cc1nn(-c2nc(-c3ccc(C)cc3)cs2)c(C)c1CC(=O)NCc1ccccc1 ZINC000064790182 558965554 /nfs/dbraw/zinc/96/55/54/558965554.db2.gz TUXHPZXWBMYYPO-UHFFFAOYSA-N 0 0 416.550 4.780 50 0 HJAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)/C=C\c1ccc(C)o1)CC2 ZINC000096544647 558967458 /nfs/dbraw/zinc/96/74/58/558967458.db2.gz PQEUEDFGXFEYBP-MQCQLYSJSA-N 0 0 403.478 4.793 50 0 HJAARN CCOc1ccc(-c2noc(-c3nn(-c4ccccc4)c(=O)c4ccccc43)n2)cc1 ZINC000064949539 558967695 /nfs/dbraw/zinc/96/76/95/558967695.db2.gz FLWMHQNSZPRQOY-UHFFFAOYSA-N 0 0 410.433 4.501 50 0 HJAARN Cc1ccc(CNS(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)cc1 ZINC000065004673 558969432 /nfs/dbraw/zinc/96/94/32/558969432.db2.gz HBNPDSWSLAPYBF-UHFFFAOYSA-N 0 0 402.541 4.848 50 0 HJAARN Cc1ccccc1CNS(=O)(=O)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004886 558969587 /nfs/dbraw/zinc/96/95/87/558969587.db2.gz VLWGWVXSFWWPEU-UHFFFAOYSA-N 0 0 402.541 4.848 50 0 HJAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)C4CCCCC4)cc3)nn2)c(C)c1C ZINC000072437214 558980474 /nfs/dbraw/zinc/98/04/74/558980474.db2.gz QSUROHNMZPYYCV-UHFFFAOYSA-N 0 0 404.518 4.850 50 0 HJAARN Cc1cc(C)cc(NC(=O)Nc2ccc(Nc3cc(-n4ccnc4)nc(C)n3)cc2)c1 ZINC000072442140 558982187 /nfs/dbraw/zinc/98/21/87/558982187.db2.gz AAZJHIKFXNXTFJ-UHFFFAOYSA-N 0 0 413.485 4.975 50 0 HJAARN CCOC(=O)c1c(=O)cc(C)n(CCc2ccccc2)c1CSc1ccccc1 ZINC000072446953 558982611 /nfs/dbraw/zinc/98/26/11/558982611.db2.gz RMJQGHQLHCERJC-UHFFFAOYSA-N 0 0 407.535 4.868 50 0 HJAARN CCOCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1CC)CCCC3 ZINC000033265547 558985797 /nfs/dbraw/zinc/98/57/97/558985797.db2.gz MTHMUKWIOFYBFX-SFHVURJKSA-N 0 0 401.576 4.821 50 0 HJAARN O=C(/C=C\c1cccc2cccnc12)OCC(=O)Nc1ccccc1SC(F)F ZINC000096973077 558986972 /nfs/dbraw/zinc/98/69/72/558986972.db2.gz LIBKZYZSSUUXCE-KHPPLWFESA-N 0 0 414.433 4.745 50 0 HJAARN CCC[C@H]1CCc2c(sc(NC(=O)CCCC(=O)OCC)c2C(=O)OCC)C1 ZINC000022334373 558987912 /nfs/dbraw/zinc/98/79/12/558987912.db2.gz XCERXMZYWJEJJF-AWEZNQCLSA-N 0 0 409.548 4.502 50 0 HJAARN Cc1[nH]c2ccccc2c1-c1csc(NC(=O)CCCNC(=O)c2ccsc2)n1 ZINC000022400769 558989382 /nfs/dbraw/zinc/98/93/82/558989382.db2.gz XIZURTHMCOVMNM-UHFFFAOYSA-N 0 0 424.551 4.810 50 0 HJAARN Cc1ccc(S(=O)(=O)c2nc3ccccc3nc2NCc2ccc(F)cc2)cc1 ZINC000033267931 558990461 /nfs/dbraw/zinc/99/04/61/558990461.db2.gz UYEQHYLCYPBTNC-UHFFFAOYSA-N 0 0 407.470 4.522 50 0 HJAARN O=C(Nc1ccc2c(c1)CCC2)N1CC[C@H](n2c(-c3ccco3)nc3cccnc32)C1 ZINC000097086886 558991054 /nfs/dbraw/zinc/99/10/54/558991054.db2.gz BZDGRNHPSFJNLV-IBGZPJMESA-N 0 0 413.481 4.659 50 0 HJAARN COc1ccccc1NC(=O)CSc1cc(C)nc2c(-c3ccc(F)cc3)cnn21 ZINC000033268982 558993497 /nfs/dbraw/zinc/99/34/97/558993497.db2.gz YSZLKDDENRBBGP-UHFFFAOYSA-N 0 0 422.485 4.583 50 0 HJAARN O=C(c1ccc(F)c(Cl)c1)N1CC[C@@H](n2c(-c3ccoc3)nc3cccnc32)C1 ZINC000097139154 558996711 /nfs/dbraw/zinc/99/67/11/558996711.db2.gz VNASMZGBADDHSS-OAHLLOKOSA-N 0 0 410.836 4.571 50 0 HJAARN COCc1ccc([C@H]2CCCN2C(=O)c2cc3cc(Br)ccc3o2)o1 ZINC000097147914 558997136 /nfs/dbraw/zinc/99/71/36/558997136.db2.gz KZQRRCHFVFSDOQ-OAHLLOKOSA-N 0 0 404.260 4.912 50 0 HJAARN COc1cccc(NC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)c1 ZINC000022504505 558997611 /nfs/dbraw/zinc/99/76/11/558997611.db2.gz KUYIGPRXSOWVSG-UHFFFAOYSA-N 0 0 407.495 4.994 50 0 HJAARN O=C(NCc1ccc(F)cc1)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 ZINC000022504635 558997617 /nfs/dbraw/zinc/99/76/17/558997617.db2.gz IGBWZEKHRBXMSG-UHFFFAOYSA-N 0 0 409.486 4.802 50 0 HJAARN O=C(c1ccc2ncsc2c1)N1CCC[C@H](c2n[nH]cc2Cc2ccccc2)C1 ZINC000077542047 559009080 /nfs/dbraw/zinc/00/90/80/559009080.db2.gz KOYGVUDVMCLRRF-SFHVURJKSA-N 0 0 402.523 4.630 50 0 HJAARN Cc1noc(CSc2ccccc2C(=O)Nc2ccc(Br)cc2F)n1 ZINC000022522674 559011102 /nfs/dbraw/zinc/01/11/02/559011102.db2.gz GNKNWPIXEZZQAA-UHFFFAOYSA-N 0 0 422.279 4.824 50 0 HJAARN O=S(=O)(c1ccccc1)c1cnc2ccc(F)cc2c1NCc1ccc(F)cc1 ZINC000023114523 559012669 /nfs/dbraw/zinc/01/26/69/559012669.db2.gz IHCFZBAXYGWEOE-UHFFFAOYSA-N 0 0 410.445 4.958 50 0 HJAARN CSc1ccc(-c2noc(CN3C(=O)COc4ccc(C(C)(C)C)cc43)n2)cc1 ZINC000023126092 559014046 /nfs/dbraw/zinc/01/40/46/559014046.db2.gz ICXYKJDKUROCDP-UHFFFAOYSA-N 0 0 409.511 4.682 50 0 HJAARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000023121131 559014299 /nfs/dbraw/zinc/01/42/99/559014299.db2.gz KBNCWWPLDFQNOL-IBGZPJMESA-N 0 0 400.459 4.684 50 0 HJAARN COc1ccc2cc(C(=O)NCc3ccc(COCC(F)(F)F)cc3)c(C)nc2c1 ZINC000011254748 559014708 /nfs/dbraw/zinc/01/47/08/559014708.db2.gz BYITXWNGSFWNGX-UHFFFAOYSA-N 0 0 418.415 4.561 50 0 HJAARN CC(C)c1ccc(NC(=O)Cc2cc(=O)[nH]c(SCc3ccccc3F)n2)cc1 ZINC000023138356 559019731 /nfs/dbraw/zinc/01/97/31/559019731.db2.gz GBKOYZBYLNMGFO-UHFFFAOYSA-N 0 0 411.502 4.506 50 0 HJAARN C[C@H](NC(=O)Cc1cc(=O)[nH]c(SCc2cccc(Cl)c2)n1)c1ccccc1 ZINC000023138292 559019783 /nfs/dbraw/zinc/01/97/83/559019783.db2.gz OTMGMEYZMOLEJO-AWEZNQCLSA-N 0 0 413.930 4.548 50 0 HJAARN Cc1ccc2[nH]c(SCc3noc(CCC(=O)Nc4cccc(C)c4C)n3)nc2c1 ZINC000033270720 559032546 /nfs/dbraw/zinc/03/25/46/559032546.db2.gz LLNPWKHLSHIFST-UHFFFAOYSA-N 0 0 421.526 4.735 50 0 HJAARN Cc1ccc(C(=O)n2nc(-c3cccnc3)nc2NCc2ccc(Cl)cc2)cc1 ZINC000004732411 559032769 /nfs/dbraw/zinc/03/27/69/559032769.db2.gz UUHXBKUAOFKQRX-UHFFFAOYSA-N 0 0 403.873 4.603 50 0 HJAARN COc1ccc([C@H]2C[C@@H](c3ccc(C)cc3)N(C(=O)C(C)(C)C)c3ncnn32)cc1 ZINC000004732803 559033328 /nfs/dbraw/zinc/03/33/28/559033328.db2.gz CSZNTWZPGUTEAR-LEWJYISDSA-N 0 0 404.514 4.709 50 0 HJAARN O=C(Nc1ccc2c(c1)OCO2)c1cccc(-c2ccc(NCc3ccccc3)nn2)c1 ZINC000033272227 559033508 /nfs/dbraw/zinc/03/35/08/559033508.db2.gz BENUNEIBKRUIBC-UHFFFAOYSA-N 0 0 424.460 4.737 50 0 HJAARN Cc1ccn2c(c1)nc(-c1ccc(N(C)C)cc1)c2Nc1ccc2c(c1)OCCO2 ZINC000004733612 559033634 /nfs/dbraw/zinc/03/36/34/559033634.db2.gz PMEHIBZYJRGLIQ-UHFFFAOYSA-N 0 0 400.482 4.891 50 0 HJAARN CCc1nccn1CCC(=O)NCc1ccc2[nH]c(-c3ccc(F)cc3)c(C)c2c1 ZINC000082125972 559039856 /nfs/dbraw/zinc/03/98/56/559039856.db2.gz XJGMJQRRLKZDBG-UHFFFAOYSA-N 0 0 404.489 4.748 50 0 HJAARN Cc1cccc2c(=O)n(C3CCN(C(=O)Nc4cccc(Cl)c4C)CC3)cnc12 ZINC000033278449 559041893 /nfs/dbraw/zinc/04/18/93/559041893.db2.gz GHVICLWJEPJBEU-UHFFFAOYSA-N 0 0 410.905 4.536 50 0 HJAARN COc1cc(NC(=O)c2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)cc(OC)c1 ZINC000033278948 559042340 /nfs/dbraw/zinc/04/23/40/559042340.db2.gz DSKMTTGIPDLQKE-UHFFFAOYSA-N 0 0 419.412 4.812 50 0 HJAARN COc1ccc(NC(=O)c2cccc(-c3nc(-c4cccc(F)c4)no3)c2)c(OC)c1 ZINC000033279084 559042557 /nfs/dbraw/zinc/04/25/57/559042557.db2.gz PHHXOYVHKOIWIS-UHFFFAOYSA-N 0 0 419.412 4.812 50 0 HJAARN CCOC(=O)c1nc2c(c(C)c(C)n2-c2ccccc2)c(Nc2cccc(OC)c2)n1 ZINC000033279913 559043521 /nfs/dbraw/zinc/04/35/21/559043521.db2.gz DPITUDWPNWJNGM-UHFFFAOYSA-N 0 0 416.481 4.966 50 0 HJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)c2cc(Cl)ccc2F)cc1 ZINC000033288190 559044256 /nfs/dbraw/zinc/04/42/56/559044256.db2.gz QWPKKEVWJYGPAO-UHFFFAOYSA-N 0 0 407.832 4.739 50 0 HJAARN C[C@H](NC(=O)CN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc21)c1ccccc1 ZINC000004742840 559044677 /nfs/dbraw/zinc/04/46/77/559044677.db2.gz KLEJPCWSIFJSAQ-GKVSMKOHSA-N 0 0 409.489 4.591 50 0 HJAARN Cc1cc(F)ccc1NC(=O)CSc1ncnc2c(-c3ccc(F)cc3)c[nH]c21 ZINC000033291880 559045976 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Cc1ccc(NC(=O)CSc2cc(NCc3ccc(Cl)cc3)ncn2)c(F)c1 ZINC000033301462 559050983 /nfs/dbraw/zinc/05/09/83/559050983.db2.gz UNDVDWBMWIRKHO-UHFFFAOYSA-N 0 0 416.909 4.920 50 0 HJAARN Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)N2CC=C(c3ccccc3)CC2)n[nH]1 ZINC000033306694 559051725 /nfs/dbraw/zinc/05/17/25/559051725.db2.gz ALBVJVOMXJZRQZ-UHFFFAOYSA-N 0 0 413.568 4.541 50 0 HJAARN COc1ccc(-c2nnc(COc3cccc(NC(=O)c4ccc(C)s4)c3)o2)cc1 ZINC000033307374 559052114 /nfs/dbraw/zinc/05/21/14/559052114.db2.gz HWLYCSOCFWERQH-UHFFFAOYSA-N 0 0 421.478 4.946 50 0 HJAARN Cc1ccc(/C=C/C(=O)Nc2ccc(OCc3nnc(-c4ccccc4)o3)cc2)o1 ZINC000033308268 559052419 /nfs/dbraw/zinc/05/24/19/559052419.db2.gz UVGOCWJEKCANRV-BUHFOSPRSA-N 0 0 401.422 4.869 50 0 HJAARN CCOc1ccc(NC(=O)N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)cc1 ZINC000004760753 559053354 /nfs/dbraw/zinc/05/33/54/559053354.db2.gz RRAGQAMKJMUFCG-UHFFFAOYSA-N 0 0 410.449 4.686 50 0 HJAARN CCc1ccc(Oc2cc(N3CCC(C(=O)N[C@@H]4CCCC[C@H]4C)CC3)ncn2)cc1 ZINC000033311973 559054684 /nfs/dbraw/zinc/05/46/84/559054684.db2.gz ZIKAISIEGXXOFF-XMSQKQJNSA-N 0 0 422.573 4.743 50 0 HJAARN CC(=O)c1cccc(NC(=O)c2ccc(-c3nccnc3N3CCCCC3)cc2)c1 ZINC000033313114 559055175 /nfs/dbraw/zinc/05/51/75/559055175.db2.gz HDTNRDHENVBUKR-UHFFFAOYSA-N 0 0 400.482 4.589 50 0 HJAARN O=C(c1ccccc1)c1cnc2ccc(F)cc2c1S(=O)(=O)c1ccc(F)cc1 ZINC000033315087 559055463 /nfs/dbraw/zinc/05/54/63/559055463.db2.gz RDTOUDLHLBGRQU-UHFFFAOYSA-N 0 0 409.413 4.577 50 0 HJAARN O=C1[C@H]2CS[C@H](c3cccc(Cl)c3)N2C(=O)N1c1ccc(Br)cc1 ZINC000033317886 559055714 /nfs/dbraw/zinc/05/57/14/559055714.db2.gz SNOXUXSHMUGBDT-GDBMZVCRSA-N 0 0 423.719 4.685 50 0 HJAARN O=C(c1cccc2ccccc21)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1 ZINC000585147553 559057926 /nfs/dbraw/zinc/05/79/26/559057926.db2.gz QORJZXMRJVOYQU-UHFFFAOYSA-N 0 0 423.516 4.616 50 0 HJAARN CC1CCN(C(=O)COc2ccccc2-c2noc(-c3ccc(Cl)cc3)n2)CC1 ZINC000033325220 559058698 /nfs/dbraw/zinc/05/86/98/559058698.db2.gz HBWXESGXBBGSCF-UHFFFAOYSA-N 0 0 411.889 4.694 50 0 HJAARN CCOc1ccc(NC(=O)CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000033326096 559059004 /nfs/dbraw/zinc/05/90/04/559059004.db2.gz KDIMMSYEDIMCGL-IBGZPJMESA-N 0 0 423.538 4.777 50 0 HJAARN COc1ccc(C2=NN(C(C)=O)[C@H](c3nc4ccccc4n3Cc3ccccc3)C2)cc1 ZINC000033327225 559059668 /nfs/dbraw/zinc/05/96/68/559059668.db2.gz PTZNQQFYJDPLKV-VWLOTQADSA-N 0 0 424.504 4.791 50 0 HJAARN CCCCCC(=O)N1CCN(c2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)CC1 ZINC000004781558 559061667 /nfs/dbraw/zinc/06/16/67/559061667.db2.gz ZYOKPWCTXJCYMC-UHFFFAOYSA-N 0 0 424.545 4.568 50 0 HJAARN COC(=O)c1sc(NC(=O)/C=C\c2ccc(C(C)(C)C)cc2)c(C(=O)OC)c1C ZINC000033334011 559063023 /nfs/dbraw/zinc/06/30/23/559063023.db2.gz XVMVZUJEIOWHEF-XFXZXTDPSA-N 0 0 415.511 4.579 50 0 HJAARN CCOc1ccccc1[C@@H]1C(C(=O)N(CC)CC)=C(C)Nc2nc3ccccc3n21 ZINC000004787049 559064098 /nfs/dbraw/zinc/06/40/98/559064098.db2.gz WHEIVRRSGSTEQW-JOCHJYFZSA-N 0 0 404.514 4.592 50 0 HJAARN O=C(CN1C(=O)SC(=Cc2ccc3c(c2)CCCO3)C1=O)c1ccc(Cl)cc1 ZINC000098086331 559064869 /nfs/dbraw/zinc/06/48/69/559064869.db2.gz VLMJNWCFPVFTMH-YBFXNURJSA-N 0 0 413.882 4.584 50 0 HJAARN O=C(Nc1nnc(Cc2cccc(Br)c2)s1)c1cccc(Cl)c1 ZINC000098086580 559065196 /nfs/dbraw/zinc/06/51/96/559065196.db2.gz IPRHAJCIPPXNRT-UHFFFAOYSA-N 0 0 408.708 4.797 50 0 HJAARN COc1ccc(CC(=O)Nc2c(-c3ccccc3)nc3cc(C)ccn32)cc1OC ZINC000004791174 559065657 /nfs/dbraw/zinc/06/56/57/559065657.db2.gz APSPUYLMMYBHNL-UHFFFAOYSA-N 0 0 401.466 4.508 50 0 HJAARN CC[C@H](C)N(Cc1ccc(OS(=O)(=O)CC)cc1)C(=O)Nc1ccc(C)cc1 ZINC000004797706 559066678 /nfs/dbraw/zinc/06/66/78/559066678.db2.gz YAMLUPYYXALJBJ-KRWDZBQOSA-N 0 0 404.532 4.556 50 0 HJAARN O=S(=O)(Nc1cc(C(F)(F)F)ccc1F)c1ccc(Br)c(F)c1 ZINC000095067930 559079184 /nfs/dbraw/zinc/07/91/84/559079184.db2.gz XFKKXFOVVLRKFO-UHFFFAOYSA-N 0 0 416.165 4.547 50 0 HJAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000011526656 559087585 /nfs/dbraw/zinc/08/75/85/559087585.db2.gz OEOQVOHULZDKFC-UHFFFAOYSA-N 0 0 409.492 4.898 50 0 HJAARN Cc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccc(Cl)cc2)cc1 ZINC000004816452 559088759 /nfs/dbraw/zinc/08/87/59/559088759.db2.gz RXLWUKYMSHYMSV-UHFFFAOYSA-N 0 0 403.873 4.603 50 0 HJAARN Cn1c(=O)c2ccccc2nc1SCC(=O)c1cc2c(c3c1CCCC3)CCCC2 ZINC000096191747 559101150 /nfs/dbraw/zinc/10/11/50/559101150.db2.gz SMJDBBXVYIXAAA-UHFFFAOYSA-N 0 0 418.562 4.666 50 0 HJAARN CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@@H]1c1cc(C(C)C)c(OC)cc1C ZINC000096288036 559108651 /nfs/dbraw/zinc/10/86/51/559108651.db2.gz UWGMRDRTYCMFIL-JOCHJYFZSA-N 0 0 424.566 4.620 50 0 HJAARN COc1cc(OC)c(NC(=O)CSc2ccccc2Br)cc1Cl ZINC000011578021 559111478 /nfs/dbraw/zinc/11/14/78/559111478.db2.gz BTFBHWANGOVSCV-UHFFFAOYSA-N 0 0 416.724 4.851 50 0 HJAARN O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)C1(c2ccc(F)cc2)CCCC1 ZINC000013984897 559112277 /nfs/dbraw/zinc/11/22/77/559112277.db2.gz UKJIBQMIUGZDAN-UHFFFAOYSA-N 0 0 406.453 4.976 50 0 HJAARN CCCC(=O)N1c2ncnn2[C@H](c2ccc(OC)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000004816785 559113551 /nfs/dbraw/zinc/11/35/51/559113551.db2.gz LEOMQMKFSSWYCJ-UXHICEINSA-N 0 0 410.905 4.808 50 0 HJAARN CCCCC(=O)N1c2ncnn2[C@H](c2ccccc2OC)C[C@H]1c1ccc(C)cc1 ZINC000004816943 559114918 /nfs/dbraw/zinc/11/49/18/559114918.db2.gz OSQHJABCGBRNHV-SFTDATJTSA-N 0 0 404.514 4.853 50 0 HJAARN CCCC(=O)N1c2ncnn2[C@H](c2ccccc2OC)C[C@H]1c1ccc(Cl)cc1 ZINC000004816967 559115031 /nfs/dbraw/zinc/11/50/31/559115031.db2.gz NEWUKJLXTOWTEJ-OALUTQOASA-N 0 0 410.905 4.808 50 0 HJAARN O=C(NCC1CC1)c1ccc(-c2cc(-c3ccc(N4CCCCC4)cc3)n[nH]2)cc1 ZINC000023313648 559116794 /nfs/dbraw/zinc/11/67/94/559116794.db2.gz SONOALBKNZLGEJ-UHFFFAOYSA-N 0 0 400.526 4.874 50 0 HJAARN O=C(Cc1cccs1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023320272 559125789 /nfs/dbraw/zinc/12/57/89/559125789.db2.gz GITMDMGLPYUFFJ-QHCPKHFHSA-N 0 0 410.970 4.878 50 0 HJAARN Cc1cc(F)cc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1 ZINC000098072943 559126466 /nfs/dbraw/zinc/12/64/66/559126466.db2.gz KRCANSKEIGPVFP-UHFFFAOYSA-N 0 0 412.202 4.716 50 0 HJAARN CSc1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)c1 ZINC000098211516 559127380 /nfs/dbraw/zinc/12/73/80/559127380.db2.gz KQZXMGPVXFCPTL-UHFFFAOYSA-N 0 0 408.458 4.705 50 0 HJAARN CC[C@@H](C(=O)N1CCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1)c1ccccc1 ZINC000098211745 559127429 /nfs/dbraw/zinc/12/74/29/559127429.db2.gz NQELFAZFPINZGA-HXUWFJFHSA-N 0 0 408.933 4.573 50 0 HJAARN Cc1ccc(C(=O)NC2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)c(C)c1 ZINC000098212664 559127837 /nfs/dbraw/zinc/12/78/37/559127837.db2.gz LIEGTOURBJZVGJ-UHFFFAOYSA-N 0 0 408.933 4.746 50 0 HJAARN Cc1ccc(C(=O)NC2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)cc1C ZINC000098212655 559127870 /nfs/dbraw/zinc/12/78/70/559127870.db2.gz VSGZTSITBDQKKZ-UHFFFAOYSA-N 0 0 408.933 4.746 50 0 HJAARN O=C(Nc1ccc(Cl)cc1Cl)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000100583553 559136875 /nfs/dbraw/zinc/13/68/75/559136875.db2.gz PADIRUXHBCODMK-HZPDHXFCSA-N 0 0 415.276 4.701 50 0 HJAARN COc1cc(-c2nc3ccc(C)cn3c2Nc2ccc3c(c2)OCCO3)ccc1O ZINC000100617123 559136930 /nfs/dbraw/zinc/13/69/30/559136930.db2.gz MONKOCZVNAKXRD-UHFFFAOYSA-N 0 0 403.438 4.539 50 0 HJAARN FC(F)Oc1ccc([C@H]2CC(c3ccc(Br)cc3)=Nc3ncnn32)cc1 ZINC000100708296 559138205 /nfs/dbraw/zinc/13/82/05/559138205.db2.gz WGKMJWONIMHIET-MRXNPFEDSA-N 0 0 419.229 4.698 50 0 HJAARN COc1ccccc1C(=O)Nc1c(=O)oc2ccccc2c1NCc1ccccc1 ZINC000101095167 559143270 /nfs/dbraw/zinc/14/32/70/559143270.db2.gz FQNCKARQTABWHW-UHFFFAOYSA-N 0 0 400.434 4.666 50 0 HJAARN FC(F)Oc1ccc(C2=Nc3ncnn3[C@H](c3cccc(Br)c3)C2)cc1 ZINC000101204159 559144022 /nfs/dbraw/zinc/14/40/22/559144022.db2.gz UBDABPPSHSZJRP-INIZCTEOSA-N 0 0 419.229 4.698 50 0 HJAARN O=Cc1cc(Br)ccc1OCC(=O)Nc1ccccc1SC(F)F ZINC000014073585 559148475 /nfs/dbraw/zinc/14/84/75/559148475.db2.gz SHASDIUFLKEDDF-UHFFFAOYSA-N 0 0 416.243 4.594 50 0 HJAARN O=C(CSc1ccc(F)c(Cl)c1)N1c2ccccc2NC(=O)C12CCCC2 ZINC000014084146 559149474 /nfs/dbraw/zinc/14/94/74/559149474.db2.gz VXXKTYHDYOZHBU-UHFFFAOYSA-N 0 0 404.894 4.869 50 0 HJAARN Cc1ccc(C)c(NC(=O)CN(C)CC(=O)Nc2ccccc2Oc2ccccc2)c1 ZINC000014142416 559153698 /nfs/dbraw/zinc/15/36/98/559153698.db2.gz WTNLCVIEQHSKAV-UHFFFAOYSA-N 0 0 417.509 4.605 50 0 HJAARN O=C(Nc1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1)c1ccc2c(c1)OCO2 ZINC000014181649 559155098 /nfs/dbraw/zinc/15/50/98/559155098.db2.gz GCJNLSRJIMDIFE-UHFFFAOYSA-N 0 0 418.840 4.569 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1[C@H](NC(=O)Nc1cccnc1Cl)C(F)(F)F ZINC000072311236 559163308 /nfs/dbraw/zinc/16/33/08/559163308.db2.gz VLOYFNGJSNUWCS-INIZCTEOSA-N 0 0 423.826 4.963 50 0 HJAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)[C@H](C)Oc1ccccc1 ZINC000023328601 559166750 /nfs/dbraw/zinc/16/67/50/559166750.db2.gz WQAMNISAOOLXRH-INIZCTEOSA-N 0 0 409.507 4.922 50 0 HJAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(Cl)cc1F)n2CCOC ZINC000023328524 559166894 /nfs/dbraw/zinc/16/68/94/559166894.db2.gz CAXOXRHZKWNZDH-UHFFFAOYSA-N 0 0 422.909 4.944 50 0 HJAARN COc1ccccc1CNc1nc(-c2ccco2)nn1C(=O)c1cccc(Cl)c1 ZINC000014610924 559171036 /nfs/dbraw/zinc/17/10/36/559171036.db2.gz FHFAEDCVQSGFEQ-UHFFFAOYSA-N 0 0 408.845 4.501 50 0 HJAARN CC[C@@H](C(=O)n1nc(-c2ccco2)nc1NCc1ccccc1OC)c1ccccc1 ZINC000014610934 559171069 /nfs/dbraw/zinc/17/10/69/559171069.db2.gz CYJXVQMREUQLLB-LJQANCHMSA-N 0 0 416.481 4.993 50 0 HJAARN O=C(c1ccccc1)n1nc(-c2ccco2)nc1NCc1ccc(Br)cc1 ZINC000014611240 559171160 /nfs/dbraw/zinc/17/11/60/559171160.db2.gz YLEPIJCRUNICHB-UHFFFAOYSA-N 0 0 423.270 4.601 50 0 HJAARN Cc1ccc(C(=O)n2nc(-c3ccco3)nc2NCc2c(F)cccc2Cl)cc1 ZINC000014611038 559171218 /nfs/dbraw/zinc/17/12/18/559171218.db2.gz GXNCDWXCTHCFEG-UHFFFAOYSA-N 0 0 410.836 4.940 50 0 HJAARN COc1ccc(-c2ccc(C(=O)NCCc3ccc(F)cc3)s2)c(OC)c1OC ZINC000023333495 559171858 /nfs/dbraw/zinc/17/18/58/559171858.db2.gz SPFAHWIKIDPWOZ-UHFFFAOYSA-N 0 0 415.486 4.553 50 0 biogenic HJAARN Cc1nnc(-c2cc(CCC(C)C)n(-c3cccc(C(=O)N4CCCC[C@H]4C)c3)n2)o1 ZINC000023334574 559172711 /nfs/dbraw/zinc/17/27/11/559172711.db2.gz DTVSJTSXYUILHN-QGZVFWFLSA-N 0 0 421.545 4.834 50 0 HJAARN CCOC(=O)c1cc(-c2ccc(CC)cc2)n(-c2ccc(C(=O)N(C)C(C)C)cc2)n1 ZINC000023335479 559172915 /nfs/dbraw/zinc/17/29/15/559172915.db2.gz MOXPKDYKCRUKSA-UHFFFAOYSA-N 0 0 419.525 4.759 50 0 HJAARN COc1ccc(CNC(=O)c2ccc(-c3cc(-c4cccc(OC)c4)[nH]n3)cc2)cc1 ZINC000023438725 559174908 /nfs/dbraw/zinc/17/49/08/559174908.db2.gz LDZSOLOTOFIDSX-UHFFFAOYSA-N 0 0 413.477 4.691 50 0 HJAARN COc1cccc(-c2cc(-c3ccc(C(=O)NCc4ccc(F)c(F)c4)cc3)n[nH]2)c1 ZINC000023443075 559175072 /nfs/dbraw/zinc/17/50/72/559175072.db2.gz ZWMUHGIUCBZFJR-UHFFFAOYSA-N 0 0 419.431 4.961 50 0 HJAARN CC(C)(C)CNC(=O)c1nn(Cc2ccccc2)c2nccc(-c3cccs3)c12 ZINC000023458214 559175555 /nfs/dbraw/zinc/17/55/55/559175555.db2.gz VOPCXUVVZJSCSO-UHFFFAOYSA-N 0 0 404.539 4.984 50 0 HJAARN Cc1nn(CCCNC(=O)C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)c(C)c1Br ZINC000018126390 559179586 /nfs/dbraw/zinc/17/95/86/559179586.db2.gz YFMLCRSAVWJEAT-SHYIKFMPSA-N 0 0 422.411 4.765 50 0 HJAARN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1cccnc1SC(F)(F)F ZINC000050382014 559182117 /nfs/dbraw/zinc/18/21/17/559182117.db2.gz XXVXBUDTTHLDQM-UHFFFAOYSA-N 0 0 411.449 4.640 50 0 HJAARN CCOC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1 ZINC000035691374 559187519 /nfs/dbraw/zinc/18/75/19/559187519.db2.gz MRCVYYNSCXCRJT-LLVKDONJSA-N 0 0 423.321 4.736 50 0 HJAARN O=C(Nc1nccs1)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 ZINC000072400544 559189150 /nfs/dbraw/zinc/18/91/50/559189150.db2.gz XZUGJAFDARSBSV-LJQANCHMSA-N 0 0 409.555 4.967 50 0 HJAARN O=S(=O)(c1ccc2ccccc2c1)N1CCn2cccc2[C@H]1c1ccccc1F ZINC000004853827 559192053 /nfs/dbraw/zinc/19/20/53/559192053.db2.gz JWWFVKDQKXJANW-HSZRJFAPSA-N 0 0 406.482 4.574 50 0 HJAARN COc1ccc(Nc2c(-c3cc(OC)c(OC)c(OC)c3)nc3ccccn32)cc1 ZINC000033431716 559192312 /nfs/dbraw/zinc/19/23/12/559192312.db2.gz IJTUGLCWKVKZBJ-UHFFFAOYSA-N 0 0 405.454 4.779 50 0 HJAARN Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1noc2c1CCc1ccccc1-2 ZINC000004881355 559196374 /nfs/dbraw/zinc/19/63/74/559196374.db2.gz HILJTGRCKYTZKA-UHFFFAOYSA-N 0 0 416.456 4.693 50 0 HJAARN CCc1cccc(NC(=O)CCc2nc3cccnc3n2Cc2ccc(OC)cc2)c1 ZINC000004900965 559199630 /nfs/dbraw/zinc/19/96/30/559199630.db2.gz DZSGABSBAFXXIC-UHFFFAOYSA-N 0 0 414.509 4.622 50 0 HJAARN C[C@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@H]1C(=O)NCCc1ccccc1 ZINC000004903046 559200048 /nfs/dbraw/zinc/20/00/48/559200048.db2.gz AKDAKVXIAZROFT-NLFFAJNJSA-N 0 0 412.533 4.564 50 0 HJAARN Cc1[nH]c2ccc(F)cc2c1CCNC(=S)Nc1ccc(Br)cc1 ZINC000004905010 559200535 /nfs/dbraw/zinc/20/05/35/559200535.db2.gz WKJDRJPUPXFEAB-UHFFFAOYSA-N 0 0 406.324 4.907 50 0 HJAARN COc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 ZINC000004931088 559209664 /nfs/dbraw/zinc/20/96/64/559209664.db2.gz GGTBYVSNLZCOEO-SQJMNOBHSA-N 0 0 414.461 4.709 50 0 HJAARN CC(=O)c1ccc(NC(=O)CCc2c(C)nc3cc(-c4ccccc4)nn3c2C)cc1 ZINC000004935179 559210125 /nfs/dbraw/zinc/21/01/25/559210125.db2.gz UAJIZRLXINDOAZ-UHFFFAOYSA-N 0 0 412.493 4.787 50 0 HJAARN Cc1cccc(CCNC(=O)CCc2c(C)nc3cc(-c4ccccc4)nn3c2C)c1 ZINC000004935228 559210200 /nfs/dbraw/zinc/21/02/00/559210200.db2.gz WQDQWYDTEOVDMC-UHFFFAOYSA-N 0 0 412.537 4.613 50 0 HJAARN CSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C(C(=O)Nc1ccccc1)=C(C)N2 ZINC000004932996 559210857 /nfs/dbraw/zinc/21/08/57/559210857.db2.gz MWHPMGMCJYNYGW-QGZVFWFLSA-N 0 0 411.918 4.581 50 0 HJAARN O=C(COC(=O)c1ccccc1Oc1ccccc1)Nc1ncc(Cl)cc1Cl ZINC000033561423 559212598 /nfs/dbraw/zinc/21/25/98/559212598.db2.gz LKDCFTXZCNDAAF-UHFFFAOYSA-N 0 0 417.248 4.976 50 0 HJAARN Cc1nn(-c2ccccc2)c2ncc(C(=O)NCc3ccccc3Cl)c(Cl)c12 ZINC000004941144 559213668 /nfs/dbraw/zinc/21/36/68/559213668.db2.gz ANIPUOSKCBURLA-UHFFFAOYSA-N 0 0 411.292 4.966 50 0 HJAARN Cc1cccc(-c2noc(CN(C(=O)c3cccc(Br)c3)C(C)C)n2)c1 ZINC000004958702 559216442 /nfs/dbraw/zinc/21/64/42/559216442.db2.gz HZQCVMPMCACLBT-UHFFFAOYSA-N 0 0 414.303 4.858 50 0 HJAARN Cc1ccc(NC(=O)CN2c3ccccc3C(c3ccccc3)=N[C@@H](C)C2=O)c(C)c1 ZINC000004972162 559221228 /nfs/dbraw/zinc/22/12/28/559221228.db2.gz HGNXUPKANYBPND-IBGZPJMESA-N 0 0 411.505 4.515 50 0 HJAARN O=C(Nc1ccc(Br)cc1)c1cccc2c1C(=O)N(C1CCCCC1)C2 ZINC000004992447 559224988 /nfs/dbraw/zinc/22/49/88/559224988.db2.gz OBZSUDNSOHNQIA-UHFFFAOYSA-N 0 0 413.315 4.990 50 0 HJAARN CSc1ccc(CCNC(=O)c2cccc3c2C(=O)N(C2CCCCC2)C3)cc1 ZINC000004992430 559225002 /nfs/dbraw/zinc/22/50/02/559225002.db2.gz XEJGOPZHKHBGEH-UHFFFAOYSA-N 0 0 408.567 4.670 50 0 HJAARN Cn1c(=O)cc(SCC(=O)Nc2ccc(F)cc2Cl)c2ccc(Cl)cc21 ZINC000005008417 559226870 /nfs/dbraw/zinc/22/68/70/559226870.db2.gz DOGQPAQKCGDATO-UHFFFAOYSA-N 0 0 411.285 4.715 50 0 HJAARN Cc1ccc2c(c1)C(=O)O[C@@H](C(=O)Nc1ncc(Cc3ccc(C(C)C)cc3)s1)C2 ZINC000005032210 559231288 /nfs/dbraw/zinc/23/12/88/559231288.db2.gz FHNSWDYLIGJIBB-OAQYLSRUSA-N 0 0 420.534 4.886 50 0 HJAARN Cc1ccc(/C=C2/Sc3ccc(C(=O)NCCCOC(C)C)cc3NC2=O)cc1 ZINC000005035845 559232277 /nfs/dbraw/zinc/23/22/77/559232277.db2.gz AUHHRGYUIAKXDT-FYJGNVAPSA-N 0 0 410.539 4.625 50 0 HJAARN Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2c(=O)n1CCC(C)C ZINC000005036694 559232588 /nfs/dbraw/zinc/23/25/88/559232588.db2.gz KOUZZMSGYHCZRV-UHFFFAOYSA-N 0 0 409.555 4.790 50 0 HJAARN O=C(COc1ccccc1)Nc1c2ccccc2oc1C(=O)Nc1ccccc1F ZINC000005035412 559233219 /nfs/dbraw/zinc/23/32/19/559233219.db2.gz HCYXXROVRZQVIA-UHFFFAOYSA-N 0 0 404.397 4.842 50 0 HJAARN O=C(c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1)N1CCCCCC1 ZINC000005042975 559236140 /nfs/dbraw/zinc/23/61/40/559236140.db2.gz GYILHVIKFTVUOL-UHFFFAOYSA-N 0 0 416.326 4.577 50 0 HJAARN COc1ccc(-c2c(C)nn3c2nc(C)cc3NCc2ccc(C)cc2)cc1OC ZINC000005058898 559238952 /nfs/dbraw/zinc/23/89/52/559238952.db2.gz OBSBKQPPLHSZBU-UHFFFAOYSA-N 0 0 402.498 4.951 50 0 HJAARN CCn1c(C(=O)N2CCC(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)CC2)cc2sccc21 ZINC000005085478 559242169 /nfs/dbraw/zinc/24/21/69/559242169.db2.gz YVZMTWYHHULNQB-XYJFISCASA-N 0 0 415.603 4.516 50 0 HJAARN Cc1ccc2c(c1)-c1c(cnn1CC(=O)N(Cc1ccco1)C1CCCCC1)CO2 ZINC000005083591 559242241 /nfs/dbraw/zinc/24/22/41/559242241.db2.gz NHPHSCGKUKUDGB-UHFFFAOYSA-N 0 0 405.498 4.705 50 0 HJAARN CCOc1ccc2nc(N3CCC(C(=O)Nc4ccc(OC)cc4)CC3)sc2c1 ZINC000005085909 559242918 /nfs/dbraw/zinc/24/29/18/559242918.db2.gz IFHCGSQGUDOBDU-UHFFFAOYSA-N 0 0 411.527 4.559 50 0 HJAARN CCOc1ccc2nc(N3CCC[C@H](C(=O)NC4CCCCCC4)C3)sc2c1 ZINC000005086354 559243002 /nfs/dbraw/zinc/24/30/02/559243002.db2.gz UYRWCMFGPQKVKO-INIZCTEOSA-N 0 0 401.576 4.750 50 0 HJAARN O=c1c2[nH]c3ccccc3c2nc(SCc2ccccn2)n1-c1ccccc1F ZINC000005086887 559243012 /nfs/dbraw/zinc/24/30/12/559243012.db2.gz DSCPIHMNFFFJRM-UHFFFAOYSA-N 0 0 402.454 4.693 50 0 HJAARN CCCCCN(Cc1nc(C(=O)OC)co1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000005096700 559245119 /nfs/dbraw/zinc/24/51/19/559245119.db2.gz ZPZQQMJGSGJWBY-UHFFFAOYSA-N 0 0 406.482 4.961 50 0 HJAARN CCOc1ccc2nc(N3CCC[C@H](C(=O)NCCCc4ccccc4)C3)sc2c1 ZINC000005105590 559245797 /nfs/dbraw/zinc/24/57/97/559245797.db2.gz UVNRYUGAWMWLQS-IBGZPJMESA-N 0 0 423.582 4.660 50 0 HJAARN Cc1ccc(NC(=O)COC(=O)c2ccc3noc(-c4ccccc4)c3c2)cc1C ZINC000005108287 559246300 /nfs/dbraw/zinc/24/63/00/559246300.db2.gz TZBWFWSUYQUXPC-UHFFFAOYSA-N 0 0 400.434 4.907 50 0 HJAARN O=C1CS[C@@H](c2ccc(Cl)cc2Cl)N1c1ccc(Br)cn1 ZINC000005128635 559248980 /nfs/dbraw/zinc/24/89/80/559248980.db2.gz PPEFQGKUWQWDGB-AWEZNQCLSA-N 0 0 404.116 4.930 50 0 HJAARN O=c1c2ccccc2nc(SCc2c(F)cccc2Cl)n1C[C@@H]1CCCO1 ZINC000005129777 559249316 /nfs/dbraw/zinc/24/93/16/559249316.db2.gz BSFKNVXHFYAZRK-ZDUSSCGKSA-N 0 0 404.894 4.660 50 0 HJAARN Cc1c(-c2ccccc2)sc2ncn(CC(=O)Nc3ccc4c(c3)CCC4)c(=O)c12 ZINC000005138695 559250914 /nfs/dbraw/zinc/25/09/14/559250914.db2.gz YYEUSXYUZWCVGR-UHFFFAOYSA-N 0 0 415.518 4.561 50 0 HJAARN CCOc1ccc(-c2cn3c(CC(=O)N4CCc5ccccc54)csc3n2)cc1 ZINC000005146980 559252780 /nfs/dbraw/zinc/25/27/80/559252780.db2.gz QBZWKVFDDIERNY-UHFFFAOYSA-N 0 0 403.507 4.593 50 0 HJAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)NCCCOC(C)C)c(C)c12 ZINC000005152013 559253992 /nfs/dbraw/zinc/25/39/92/559253992.db2.gz XQBGCCOJJYDFJJ-UHFFFAOYSA-N 0 0 422.573 4.518 50 0 HJAARN CCC(=O)N1CCc2ccc(O[C@H](CC)C(=O)NC(C)C)cc2[C@H]1c1ccc(C)cc1 ZINC000037603472 559255825 /nfs/dbraw/zinc/25/58/25/559255825.db2.gz DFMFHARUXOEGPB-ILBGXUMGSA-N 0 0 422.569 4.561 50 0 HJAARN CC[C@@H](C)Sc1nnc(Cn2c3ccccc3sc2=O)n1CCc1ccccc1 ZINC000011758352 559257750 /nfs/dbraw/zinc/25/77/50/559257750.db2.gz LAMHIBQTZLIGPW-MRXNPFEDSA-N 0 0 424.595 4.836 50 0 HJAARN CC[C@H](C)Sc1nnc(Cn2c3ccccc3sc2=O)n1CCc1ccccc1 ZINC000011758353 559257873 /nfs/dbraw/zinc/25/78/73/559257873.db2.gz LAMHIBQTZLIGPW-INIZCTEOSA-N 0 0 424.595 4.836 50 0 HJAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@]32CCOC(C)(C)C2)c(OC)c1 ZINC000100748035 559261879 /nfs/dbraw/zinc/26/18/79/559261879.db2.gz VRFITYPURADBAC-YKSBVNFPSA-N 0 0 408.498 4.533 50 0 biogenic HJAARN O=C(CS[C@@H]1CCc2ccccc2NC1=O)Nc1cccc(OC(F)(F)F)c1 ZINC000011865850 559263901 /nfs/dbraw/zinc/26/39/01/559263901.db2.gz GHWSKBDJWQEOLG-MRXNPFEDSA-N 0 0 410.417 4.860 50 0 HJAARN O=C(CS[C@H]1CCc2ccccc2NC1=O)Nc1cccc(OC(F)(F)F)c1 ZINC000011865851 559263909 /nfs/dbraw/zinc/26/39/09/559263909.db2.gz GHWSKBDJWQEOLG-INIZCTEOSA-N 0 0 410.417 4.860 50 0 HJAARN C[C@@H]1CCC[C@H](N2CC(=O)N(Cc3ccccc3)[C@@H](c3ccc(F)cc3)C2=O)[C@H]1C ZINC000248152844 559265568 /nfs/dbraw/zinc/26/55/68/559265568.db2.gz KKJYDRMDMWYXQU-WPOIJDHESA-N 0 0 408.517 4.563 50 0 HJAARN COc1cc(OC)c(C2=CCN(C(=O)c3oc4ccccc4c3C)CC2)c(OC)c1 ZINC000011918279 559268073 /nfs/dbraw/zinc/26/80/73/559268073.db2.gz HDAXYCPZZZRDJQ-UHFFFAOYSA-N 0 0 407.466 4.697 50 0 HJAARN O=C1[C@@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000136256101 559276791 /nfs/dbraw/zinc/27/67/91/559276791.db2.gz GOYZKYVQWGNNAH-PWRODBHTSA-N 0 0 422.843 4.530 50 0 HJAARN COc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)c(OC)c4)=NN32)c1 ZINC000005164964 559277848 /nfs/dbraw/zinc/27/78/48/559277848.db2.gz WMMGYLINIRACHC-SQJMNOBHSA-N 0 0 416.477 4.955 50 0 HJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccccc1Cl ZINC000136634456 559277850 /nfs/dbraw/zinc/27/78/50/559277850.db2.gz OFKPVWCNHNMZRD-PWRODBHTSA-N 0 0 422.843 4.530 50 0 HJAARN Cc1cccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(Cl)cc2Cl)c1 ZINC000000828859 559281765 /nfs/dbraw/zinc/28/17/65/559281765.db2.gz PHUQCHJAFRZHGE-KRWDZBQOSA-N 0 0 406.338 4.733 50 0 HJAARN Cc1ccccc1-c1nnc(SCc2cc3c(cc2Br)OCO3)o1 ZINC000005169921 559287387 /nfs/dbraw/zinc/28/73/87/559287387.db2.gz ZRAKEELMUCBRRT-UHFFFAOYSA-N 0 0 405.273 4.829 50 0 HJAARN O=C(c1nc2ccccc2s1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000005181235 559289624 /nfs/dbraw/zinc/28/96/24/559289624.db2.gz CFVDDNFQFPIMTL-UHFFFAOYSA-N 0 0 414.943 4.522 50 0 HJAARN COc1cc2nc(NC(=O)COc3ccc(Cl)cc3Cl)sc2cc1OC ZINC000005187352 559290869 /nfs/dbraw/zinc/29/08/69/559290869.db2.gz MMUCITDLKQHYFF-UHFFFAOYSA-N 0 0 413.282 4.638 50 0 HJAARN O=C(Nc1cccc(F)c1)[C@H](CSCc1ccccc1)N1Cc2ccccc2C1=O ZINC000005189910 559291257 /nfs/dbraw/zinc/29/12/57/559291257.db2.gz CBSITSBNYVZQPA-QFIPXVFZSA-N 0 0 420.509 4.722 50 0 HJAARN COc1cccc(-n2nc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3n2)c1 ZINC000005191821 559291507 /nfs/dbraw/zinc/29/15/07/559291507.db2.gz XNYPCLBXRFCWOJ-UHFFFAOYSA-N 0 0 400.482 4.979 50 0 HJAARN O=C(Nn1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1)c1ccccc1Cl ZINC000005199256 559292428 /nfs/dbraw/zinc/29/24/28/559292428.db2.gz IHJIUMRDIRFECH-UHFFFAOYSA-N 0 0 410.260 4.754 50 0 HJAARN CC(C)Cc1nnc(NC(=O)c2sc(-n3cccc3)nc2-c2ccccc2)s1 ZINC000061719198 559293524 /nfs/dbraw/zinc/29/35/24/559293524.db2.gz YJPJVFCJKQOISE-UHFFFAOYSA-N 0 0 409.540 4.903 50 0 HJAARN Cc1ccc(-c2oc3ccccc3c(=O)c2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036646378 560082117 /nfs/dbraw/zinc/08/21/17/560082117.db2.gz SFEGGNBCHVXXQF-UHFFFAOYSA-N 0 0 406.459 4.845 50 0 biogenic,in-vitro HJAARN CSc1cccc(NC(=O)C2CCC(Cn3cnc4ccccc4c3=O)CC2)c1 ZINC000061720941 560536555 /nfs/dbraw/zinc/53/65/55/560536555.db2.gz JHCGEHIYTLJYIL-UHFFFAOYSA-N 0 0 407.539 4.564 50 0 HJAARN O=C(Nc1nnc([C@H]2CCCO2)s1)c1sc(-n2cccc2)nc1-c1ccccc1 ZINC000061721268 560537433 /nfs/dbraw/zinc/53/74/33/560537433.db2.gz PWJVIUXTJDBEKA-CQSZACIVSA-N 0 0 423.523 4.556 50 0 HJAARN Cc1ccc(C(=O)c2cc3c(cc2NC(=O)CCc2ccccc2)OCCO3)cc1 ZINC000080340222 560541873 /nfs/dbraw/zinc/54/18/73/560541873.db2.gz HXJNLTAKDWTACD-UHFFFAOYSA-N 0 0 401.462 4.569 50 0 HJAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(F)cc1)N(CCCOC(C)C)C3=O ZINC000005215875 560543335 /nfs/dbraw/zinc/54/33/35/560543335.db2.gz UBWGBXYSYLEFEV-QFIPXVFZSA-N 0 0 423.484 4.909 50 0 HJAARN CCc1ccc(OCCCn2c(CCNC(=O)c3ccco3)nc3ccccc32)cc1 ZINC000005235806 560548365 /nfs/dbraw/zinc/54/83/65/560548365.db2.gz ZHMNDRRKQBCPHD-UHFFFAOYSA-N 0 0 417.509 4.633 50 0 HJAARN CCOc1ccccc1NC(=O)c1c(=O)[nH]nc(-c2ccccc2)c1-c1ccccc1 ZINC000005237469 560548546 /nfs/dbraw/zinc/54/85/46/560548546.db2.gz ILZOARMKKDIGDA-UHFFFAOYSA-N 0 0 411.461 4.755 50 0 HJAARN CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(C)n2)c1 ZINC000005244516 560550143 /nfs/dbraw/zinc/55/01/43/560550143.db2.gz GLAPYPPKKJTKDO-QFIPXVFZSA-N 0 0 412.445 4.645 50 0 HJAARN COc1cc(CSc2nnc(NC(=O)Nc3cccs3)s2)cc(OC)c1 ZINC000005253743 560551865 /nfs/dbraw/zinc/55/18/65/560551865.db2.gz SERDYMCHZPEUHQ-UHFFFAOYSA-N 0 0 408.530 4.553 50 0 HJAARN O=c1nc(SCc2ccc(C(F)(F)F)cc2)c2c(n1Cc1ccco1)CCC2 ZINC000005267923 560554372 /nfs/dbraw/zinc/55/43/72/560554372.db2.gz LSOGBQZDEZNTSK-UHFFFAOYSA-N 0 0 406.429 4.684 50 0 HJAARN O=C(Nc1ccccc1N1C(=O)c2ccccc2C1=O)c1cc(F)c(F)cc1Cl ZINC000000997788 560560709 /nfs/dbraw/zinc/56/07/09/560560709.db2.gz NHLKJMKGEMJCST-UHFFFAOYSA-N 0 0 412.779 4.671 50 0 HJAARN CC1(C)CC(=O)C2(Cc3ccc(Cl)cc3N3CCN(c4ccccc4)C[C@@H]32)C(=O)C1 ZINC000005274411 560561319 /nfs/dbraw/zinc/56/13/19/560561319.db2.gz BHBAPXSKDZLDMO-OAQYLSRUSA-N 0 0 422.956 4.536 50 0 HJAARN O=C(c1ccc(F)cc1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc2c(c1)OCO2 ZINC000001030657 560562060 /nfs/dbraw/zinc/56/20/60/560562060.db2.gz MXHLJABQCFEQSK-DEOSSOPVSA-N 0 0 414.436 4.824 50 0 HJAARN C[C@@H](c1nnc(SCCOc2ccc(F)cc2)n1-c1ccc(Cl)cc1)N(C)C ZINC000005280895 560562506 /nfs/dbraw/zinc/56/25/06/560562506.db2.gz OJSBZTRWZUPNAR-AWEZNQCLSA-N 0 0 420.941 4.854 50 0 HJAARN O=C(CSCc1ccccc1)Nc1nnc(-c2ccc(OC(F)(F)F)cc2)o1 ZINC000061973976 560564266 /nfs/dbraw/zinc/56/42/66/560564266.db2.gz DHGRCEBZWFHOLN-UHFFFAOYSA-N 0 0 409.389 4.507 50 0 HJAARN Cc1nn(-c2ccccc2)c2ncc(C(=O)N3CCc4ccccc4C3)c(Cl)c12 ZINC000005313682 560564396 /nfs/dbraw/zinc/56/43/96/560564396.db2.gz GMFMEWTXNGPPFJ-UHFFFAOYSA-N 0 0 402.885 4.581 50 0 HJAARN CCc1cccc(NC(=O)CSc2ncnc3nc(-c4ccc(C)cc4)ncc32)c1 ZINC000062006854 560566073 /nfs/dbraw/zinc/56/60/73/560566073.db2.gz NIDKEBVIOAAHIC-UHFFFAOYSA-N 0 0 415.522 4.688 50 0 HJAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccc(F)cc2)N1CCc1ccccc1 ZINC000005343821 560566775 /nfs/dbraw/zinc/56/67/75/560566775.db2.gz CXLWOEKFLWICEC-XMMPIXPASA-N 0 0 413.452 4.709 50 0 HJAARN Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(C)cc4C)c(=O)c23)s1 ZINC000005351989 560569096 /nfs/dbraw/zinc/56/90/96/560569096.db2.gz LDBGOOZMLXJQFA-UHFFFAOYSA-N 0 0 409.536 4.750 50 0 HJAARN COc1ccc(-c2nnc(SCCCOc3ccc(Cl)cc3)o2)c(OC)c1 ZINC000005355655 560569473 /nfs/dbraw/zinc/56/94/73/560569473.db2.gz HYBSKYKVHYTRAP-UHFFFAOYSA-N 0 0 406.891 4.968 50 0 HJAARN CC(C)N(C(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl)c1ccccc1 ZINC000005359334 560571491 /nfs/dbraw/zinc/57/14/91/560571491.db2.gz ARMDTHVTLNVZFB-UHFFFAOYSA-N 0 0 401.677 4.640 50 0 HJAARN CCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccoc1C ZINC000005365001 560571944 /nfs/dbraw/zinc/57/19/44/560571944.db2.gz NPVBZYKFPJWBLD-UHFFFAOYSA-N 0 0 411.314 4.904 50 0 HJAARN C[C@@H](CCc1ccccc1)NC(=O)CSc1nnc(-c2cccc(Cl)c2)o1 ZINC000005391825 560582323 /nfs/dbraw/zinc/58/23/23/560582323.db2.gz NJOLCGZNNWCOGF-AWEZNQCLSA-N 0 0 401.919 4.620 50 0 HJAARN CCOC(=O)c1sc(NC(=O)c2cccc3ccccc32)c(C(=O)OCC)c1C ZINC000001966404 560583963 /nfs/dbraw/zinc/58/39/63/560583963.db2.gz ZRPLVTHNWCQCKI-UHFFFAOYSA-N 0 0 411.479 4.815 50 0 HJAARN CC(C)[C@H](NC(=O)c1ccc(Br)cc1)c1ccc2c(c1)OCCCO2 ZINC000005407849 560584382 /nfs/dbraw/zinc/58/43/82/560584382.db2.gz YQKBZYGOANVFNO-IBGZPJMESA-N 0 0 404.304 4.738 50 0 HJAARN CC(=O)[C@H](SC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N(C)C ZINC000005413836 560584426 /nfs/dbraw/zinc/58/44/26/560584426.db2.gz KLRYICJDAASNKW-QHCPKHFHSA-N 0 0 403.547 4.758 50 0 HJAARN CCOc1ccc(C(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)cc1 ZINC000002626047 560586188 /nfs/dbraw/zinc/58/61/88/560586188.db2.gz BGYIRWZPKKXIFE-UHFFFAOYSA-N 0 0 419.506 4.960 50 0 HJAARN Cc1sc2nc(C)nc(SCC(=O)Nc3ccccc3OC(F)F)c2c1C ZINC000005428768 560586202 /nfs/dbraw/zinc/58/62/02/560586202.db2.gz ZCNRDQUQPIIXME-UHFFFAOYSA-N 0 0 409.483 4.949 50 0 HJAARN COc1cc2c(cc1OC)[C@@H](C)N(CC(=O)Nc1ccc(Cl)c(Cl)c1)CC2 ZINC000005429399 560586514 /nfs/dbraw/zinc/58/65/14/560586514.db2.gz IHDHYXCRCHQEJB-GFCCVEGCSA-N 0 0 409.313 4.568 50 0 HJAARN CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1C ZINC000002636372 560586559 /nfs/dbraw/zinc/58/65/59/560586559.db2.gz CKBBJBJNBUCUJY-KRWDZBQOSA-N 0 0 420.465 4.810 50 0 HJAARN CCCN(CC(=O)Nc1cccc(C)c1)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000002650968 560587008 /nfs/dbraw/zinc/58/70/08/560587008.db2.gz VPBDAXJEDORGLJ-UHFFFAOYSA-N 0 0 408.329 4.591 50 0 HJAARN O=C(NC(=S)NN(Cc1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000005445943 560588232 /nfs/dbraw/zinc/58/82/32/560588232.db2.gz OEHRCEOJVLONBB-UHFFFAOYSA-N 0 0 419.594 4.815 50 0 HJAARN COc1ccc(C=CC(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)c(OC)c1 ZINC000003247228 560589202 /nfs/dbraw/zinc/58/92/02/560589202.db2.gz HIAZLFOOQYRRDX-FYWRMAATSA-N 0 0 402.446 4.810 50 0 HJAARN CN(C(=O)COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCCC1 ZINC000003227677 560589877 /nfs/dbraw/zinc/58/98/77/560589877.db2.gz HQUWKRCXVCRNNF-UHFFFAOYSA-N 0 0 411.342 4.672 50 0 HJAARN CCCCc1ccc(NC(=O)COC(=O)/C=C/c2ccc(OC(F)F)cc2)cc1 ZINC000003283758 560591463 /nfs/dbraw/zinc/59/14/63/560591463.db2.gz NSLKQDNIHHRHBG-NTEUORMPSA-N 0 0 403.425 4.826 50 0 HJAARN CCCOC(=O)c1c(NC(=O)c2c(OC)cccc2OC)sc2c1CCCCC2 ZINC000005468959 560592386 /nfs/dbraw/zinc/59/23/86/560592386.db2.gz GUJNNCDHIXJWPH-UHFFFAOYSA-N 0 0 417.527 4.853 50 0 HJAARN CCCNC(=O)CSc1nnc(-c2cccc(C)c2)n1-c1ccc(Cl)cc1 ZINC000003357669 560592896 /nfs/dbraw/zinc/59/28/96/560592896.db2.gz HSVCVZNHIHQDQN-UHFFFAOYSA-N 0 0 400.935 4.514 50 0 HJAARN O=c1cc(CSc2nnc3sc4ccccc4n23)c2cc3c(cc2o1)CCC3 ZINC000003367553 560593128 /nfs/dbraw/zinc/59/31/28/560593128.db2.gz UWMSDAVLBONKEL-UHFFFAOYSA-N 0 0 405.504 4.831 50 0 HJAARN C[C@H](OC(=O)c1sc2ccccc2c1Cl)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000003448029 560595192 /nfs/dbraw/zinc/59/51/92/560595192.db2.gz RPFGFVHVQXXJMZ-NSHDSACASA-N 0 0 417.870 4.510 50 0 HJAARN Brc1cccc(CSc2ncnc3c2cnn3Cc2ccccc2)c1 ZINC000005478732 560595456 /nfs/dbraw/zinc/59/54/56/560595456.db2.gz MEGPKSRJQHWZOY-UHFFFAOYSA-N 0 0 411.328 4.929 50 0 HJAARN COc1ccc([C@]2(C(=O)Nc3c(C)cccc3C)CC(=O)N2c2ccccc2)cc1 ZINC000005484123 560596790 /nfs/dbraw/zinc/59/67/90/560596790.db2.gz GXLKBZFVHYUVNL-VWLOTQADSA-N 0 0 400.478 4.583 50 0 HJAARN Cc1ccc(-n2ncc3c2ncnc3SCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000005518159 560604700 /nfs/dbraw/zinc/60/47/00/560604700.db2.gz BRXAGNHYTMPTIN-UHFFFAOYSA-N 0 0 417.538 4.780 50 0 HJAARN CCCCOC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1 ZINC000004412282 560606878 /nfs/dbraw/zinc/60/68/78/560606878.db2.gz KPKKCJQOIXGJRA-UHFFFAOYSA-N 0 0 416.930 4.534 50 0 HJAARN C[C@H](NC(=O)COc1ccccc1)c1nc2ccccc2n1Cc1ccccc1Cl ZINC000005545777 560607497 /nfs/dbraw/zinc/60/74/97/560607497.db2.gz BZVAAUQALCZYEC-KRWDZBQOSA-N 0 0 419.912 4.994 50 0 HJAARN COc1ccc(-c2cnc(N)nc2-c2ccc(OCc3ccc(C)cc3)cc2O)cc1 ZINC000005557135 560613262 /nfs/dbraw/zinc/61/32/62/560613262.db2.gz MQBAFPMUUIDKAE-UHFFFAOYSA-N 0 0 413.477 4.994 50 0 HJAARN CCOc1ccc(-c2nnc(S[C@@H](C(=O)N3CCCCC3)c3ccccc3)o2)cc1 ZINC000005561324 560617896 /nfs/dbraw/zinc/61/78/96/560617896.db2.gz ZBPDTLCSOSQEBP-HXUWFJFHSA-N 0 0 423.538 4.981 50 0 HJAARN CCOc1ccc(-c2cn3c(CC(=O)N[C@H](C)c4ccccc4)csc3n2)cc1 ZINC000005147030 560624347 /nfs/dbraw/zinc/62/43/47/560624347.db2.gz LYEXZCCDJPBOJX-MRXNPFEDSA-N 0 0 405.523 4.881 50 0 HJAARN COc1ccc(CCC(=O)Nc2ccc(Br)cc2Br)cc1 ZINC000005526971 560627048 /nfs/dbraw/zinc/62/70/48/560627048.db2.gz QWKRKQODQFEHHW-UHFFFAOYSA-N 0 0 413.109 4.792 50 0 HJAARN CCOC(=O)CSc1nnc(-c2cc(-c3ccccc3)nc3ccccc32)n1CC ZINC000005622612 560632676 /nfs/dbraw/zinc/63/26/76/560632676.db2.gz GEPZUHZLZXSJPX-UHFFFAOYSA-N 0 0 418.522 4.835 50 0 HJAARN CC(=O)c1ccc(OCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)cc1 ZINC000005654190 560637176 /nfs/dbraw/zinc/63/71/76/560637176.db2.gz DDGZFLWQFFPBOV-SFHVURJKSA-N 0 0 410.520 4.769 50 0 HJAARN CCOc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)c1ccccc1OC ZINC000015953514 560650458 /nfs/dbraw/zinc/65/04/58/560650458.db2.gz MSNAJPITWAXSRH-JHMXWDHMSA-N 0 0 409.526 4.602 50 0 biogenic HJAARN COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccccc2)c(OC)c1 ZINC000015953638 560650629 /nfs/dbraw/zinc/65/06/29/560650629.db2.gz OPSSSWJBIKGPHY-MNUWPZSJSA-N 0 0 421.537 4.612 50 0 biogenic HJAARN Fc1ccc(Nc2nc(NCc3cccnc3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017200439 560704367 /nfs/dbraw/zinc/70/43/67/560704367.db2.gz VZYZQSBIRPEPHP-UHFFFAOYSA-N 0 0 411.444 4.705 50 0 HJAARN CCOc1ccccc1-c1nc(CSc2nc3ccccc3c(=O)n2C)c(C)o1 ZINC000017316114 560708354 /nfs/dbraw/zinc/70/83/54/560708354.db2.gz PTNYCBHYFRREFK-UHFFFAOYSA-N 0 0 407.495 4.588 50 0 HJAARN CCSc1nc2n(n1)[C@@H](c1ccc(C)cc1)C(C(=O)Nc1ccccc1C)=C(C)N2 ZINC000017316833 560708684 /nfs/dbraw/zinc/70/86/84/560708684.db2.gz FAPKFEOXUUFZHZ-FQEVSTJZSA-N 0 0 419.554 4.935 50 0 HJAARN O=C(Cc1csc(-c2cccs2)n1)OCc1cc(Cl)c2c(c1)OCCO2 ZINC000017369357 560711306 /nfs/dbraw/zinc/71/13/06/560711306.db2.gz BBFAGNXYPBDLGR-UHFFFAOYSA-N 0 0 407.900 4.582 50 0 HJAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1 ZINC000000882113 560726022 /nfs/dbraw/zinc/72/60/22/560726022.db2.gz PEEANMQODCIZNV-UHFFFAOYSA-N 0 0 403.463 4.636 50 0 HJAARN O=C(Nc1ccccc1N1CCCCC1)c1ccccc1I ZINC000001134441 560727218 /nfs/dbraw/zinc/72/72/18/560727218.db2.gz MAZBHGWAZFQNDU-UHFFFAOYSA-N 0 0 406.267 4.534 50 0 HJAARN CCOc1cc(/C=C2\SC(=N)NC2=O)ccc1OC(=O)c1cccc2ccccc21 ZINC000001197881 560727746 /nfs/dbraw/zinc/72/77/46/560727746.db2.gz YHZVYKMXBBUZMC-MOSHPQCFSA-N 0 0 418.474 4.596 50 0 HJAARN O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCN(Cc2ccccc2F)CC1 ZINC000017844960 560729392 /nfs/dbraw/zinc/72/93/92/560729392.db2.gz MZIMYSXNJQHKFW-UHFFFAOYSA-N 0 0 415.921 4.561 50 0 HJAARN CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 ZINC000017903393 560730032 /nfs/dbraw/zinc/73/00/32/560730032.db2.gz FXTDZDPFWIBBMS-MRXNPFEDSA-N 0 0 403.526 4.566 50 0 HJAARN O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(Br)cc1Cl ZINC000002883169 560732721 /nfs/dbraw/zinc/73/27/21/560732721.db2.gz PCAHRAMACOLHJX-UHFFFAOYSA-N 0 0 418.143 4.812 50 0 HJAARN O=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCSCC1 ZINC000006527065 560743989 /nfs/dbraw/zinc/74/39/89/560743989.db2.gz WWPUOCDKPOJPAZ-UHFFFAOYSA-N 0 0 406.467 4.731 50 0 HJAARN CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(C(=O)c3ccccc3)cc1)n2C ZINC000100845984 560760199 /nfs/dbraw/zinc/76/01/99/560760199.db2.gz RXQKIVXOXPCBIS-IZHYLOQSSA-N 0 0 416.502 4.611 50 0 HJAARN O=C1C[C@H](Sc2nc3ccccc3s2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000100968827 560765122 /nfs/dbraw/zinc/76/51/22/560765122.db2.gz PECJWICEJOFAAI-AWEZNQCLSA-N 0 0 408.426 4.739 50 0 HJAARN CCOc1ccc([C@H](C)NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000011170488 560771622 /nfs/dbraw/zinc/77/16/22/560771622.db2.gz QAVOLWIHFNXGAA-SFHVURJKSA-N 0 0 403.478 4.573 50 0 HJAARN COc1ccc(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)cc1 ZINC000018074512 560774720 /nfs/dbraw/zinc/77/47/20/560774720.db2.gz YIJIKDDSZKLWJQ-JOCHJYFZSA-N 0 0 400.478 4.747 50 0 biogenic HJAARN CCC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000018135532 560779661 /nfs/dbraw/zinc/77/96/61/560779661.db2.gz WIWDMNQQTQAREC-QFIPXVFZSA-N 0 0 408.523 4.759 50 0 HJAARN CN1CC(=Cc2ccccc2Cl)C2=NC(=S)N[C@@H](c3ccccc3Cl)C2C1 ZINC000018144559 560779820 /nfs/dbraw/zinc/77/98/20/560779820.db2.gz LRZWOWVKVTUTOT-HKFHZZIHSA-N 0 0 416.377 4.795 50 0 HJAARN COc1ccc(-c2noc(CCC(=O)Nc3nc(-c4cccs4)cs3)n2)cc1 ZINC000014772661 560779987 /nfs/dbraw/zinc/77/99/87/560779987.db2.gz KUFVOTKNZCRCSV-UHFFFAOYSA-N 0 0 412.496 4.502 50 0 HJAARN C[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)c1ccc(-n2cncn2)cc1 ZINC000018159782 560780170 /nfs/dbraw/zinc/78/01/70/560780170.db2.gz XAYOSJCSTVBRKK-ZDUSSCGKSA-N 0 0 409.902 4.535 50 0 HJAARN CCN(C(=O)CSc1nnc(Nc2ccccc2OC)s1)c1ccc(F)cc1 ZINC000005689192 560784559 /nfs/dbraw/zinc/78/45/59/560784559.db2.gz HDOLKEUFZSAYDL-UHFFFAOYSA-N 0 0 418.519 4.575 50 0 HJAARN O=C(Nc1ccc2c(c1)OCO2)Nc1c(=O)oc2ccccc2c1NC1CCCC1 ZINC000101094325 560785142 /nfs/dbraw/zinc/78/51/42/560785142.db2.gz DTLVGIOSXZSWSK-UHFFFAOYSA-N 0 0 407.426 4.520 50 0 HJAARN COc1ccc(CNC(=O)CSc2nc3ccccc3n2-c2cccc(C)c2)cc1 ZINC000005694707 560786608 /nfs/dbraw/zinc/78/66/08/560786608.db2.gz XXPXYJFQLIFKCJ-UHFFFAOYSA-N 0 0 417.534 4.751 50 0 HJAARN O=C(Nc1cc(I)ccc1C(F)(F)F)c1cccc(F)c1 ZINC000012856807 560787233 /nfs/dbraw/zinc/78/72/33/560787233.db2.gz STPXAEJMEOBZHX-UHFFFAOYSA-N 0 0 409.120 4.701 50 0 HJAARN COc1ccc(-c2c(NC(=O)c3cccs3)oc3ccccc3c2=O)cc1OC ZINC000101334564 560791968 /nfs/dbraw/zinc/79/19/68/560791968.db2.gz XHYDMXILCIYSLZ-UHFFFAOYSA-N 0 0 407.447 4.791 50 0 HJAARN CCOc1cc(/C=C/C(=O)NCC(=O)Nc2c(C)cccc2C)ccc1OCC(C)C ZINC000013069594 560793106 /nfs/dbraw/zinc/79/31/06/560793106.db2.gz VGSVQKSJZGFFKW-ACCUITESSA-N 0 0 424.541 4.505 50 0 HJAARN COc1ccc2[nH]c(=O)c(C=C3SC(=O)N=C3Nc3cccc(Cl)c3)cc2c1 ZINC000101722700 560798940 /nfs/dbraw/zinc/79/89/40/560798940.db2.gz OJWHVOHPPHOCMU-MFOYZWKCSA-N 0 0 411.870 4.908 50 0 HJAARN O=C(CN1c2ccccc2N=C(c2cccs2)CC1=O)Nc1ccccc1Cl ZINC000101948362 560805780 /nfs/dbraw/zinc/80/57/80/560805780.db2.gz KWMLRJPWEJROSV-UHFFFAOYSA-N 0 0 409.898 4.898 50 0 HJAARN Cc1cc2c(cc1C)N(CC(=O)NC1CCCCC1)C(=O)CC(c1cccs1)=N2 ZINC000101947822 560805854 /nfs/dbraw/zinc/80/58/54/560805854.db2.gz VHXSLWWBEZRTHS-UHFFFAOYSA-N 0 0 409.555 4.671 50 0 HJAARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccccc3C)C2)c(OC)c1 ZINC000102316496 560809307 /nfs/dbraw/zinc/80/93/07/560809307.db2.gz WJMJNNQUNMHWHS-IQMFZBJNSA-N 0 0 416.481 4.669 50 0 HJAARN O=C1C[C@H](c2ccco2)CC2=Nc3nc(C(F)(F)F)nn3[C@@H](c3ccccc3)C12 ZINC000102315220 560809308 /nfs/dbraw/zinc/80/93/08/560809308.db2.gz ZRUUHKDLWPMVIM-PXAZEXFGSA-N 0 0 400.360 4.955 50 0 HJAARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3cc(F)cc(F)c3)C2)cc1 ZINC000102699452 560820227 /nfs/dbraw/zinc/82/02/27/560820227.db2.gz BUFYLCGNQBHVOI-LRTDBIEQSA-N 0 0 408.408 4.630 50 0 HJAARN CCSc1nc2n(n1)[C@H](c1cccc(OC)c1OC)C1C(=O)CC(C)(C)CC1=N2 ZINC000102680488 560821184 /nfs/dbraw/zinc/82/11/84/560821184.db2.gz NHTVZYCMVADLRN-QGZVFWFLSA-N 0 0 414.531 4.715 50 0 HJAARN COc1ccc(CCN2CC(=O)C(c3nc(-c4ccc(OC)cc4)cs3)=C2N)cc1 ZINC000102733038 560822605 /nfs/dbraw/zinc/82/26/05/560822605.db2.gz IXVQBSPFCHXBKW-UHFFFAOYSA-N 0 0 421.522 4.632 50 0 HJAARN Cc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4C)c(O)c3ON2c2ccccc2)cc1 ZINC000102717107 560823251 /nfs/dbraw/zinc/82/32/51/560823251.db2.gz QBVBZOBHRWSSFE-WXFUMESZSA-N 0 0 412.489 4.663 50 0 HJAARN CCc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(C)cc4)[C@H]3C2=O)cc1 ZINC000102717595 560823402 /nfs/dbraw/zinc/82/34/02/560823402.db2.gz GRYBUPGQWXZFDB-WXFUMESZSA-N 0 0 412.489 4.609 50 0 HJAARN COc1ccc([C@H]2Nc3nonc3N=C3C[C@@H](c4ccccc4)CC(=O)C32)c(OC)c1 ZINC000102744674 560823907 /nfs/dbraw/zinc/82/39/07/560823907.db2.gz RVKLIFYUEGXMPQ-SPLOXXLWSA-N 0 0 418.453 4.716 50 0 HJAARN COc1cccc(C2=Nc3ncnn3[C@H](c3cc(Cl)ccc3OC(F)F)C2)c1 ZINC000102763403 560824911 /nfs/dbraw/zinc/82/49/11/560824911.db2.gz FWHAPQYXDBNUMG-INIZCTEOSA-N 0 0 404.804 4.598 50 0 HJAARN Cc1c([C@@H](Nc2ccccn2)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000018324635 560825824 /nfs/dbraw/zinc/82/58/24/560825824.db2.gz HRSQQSTVOBXDHC-QFIPXVFZSA-N 0 0 404.901 4.734 50 0 HJAARN COc1ccc([C@@H]2Nc3nonc3N=C3C[C@@H](c4ccc(F)cc4)CC(=O)C32)cc1 ZINC000102838099 560829817 /nfs/dbraw/zinc/82/98/17/560829817.db2.gz YERFZHHSRYRNCF-VLIAUNLRSA-N 0 0 406.417 4.846 50 0 HJAARN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000103053043 560837012 /nfs/dbraw/zinc/83/70/12/560837012.db2.gz LVKKLRKYYAOROG-OYRHEFFESA-N 0 0 417.896 4.644 50 0 HJAARN Cc1cccc(N2CCN3c4cc(Cl)ccc4CC4(C(=O)CCCC4=O)[C@H]3C2)c1C ZINC000103409303 560841789 /nfs/dbraw/zinc/84/17/89/560841789.db2.gz OCWRNCNDOIJVSL-JOCHJYFZSA-N 0 0 422.956 4.517 50 0 HJAARN CCOc1ccc2nc(N3CCC[C@H](C(=O)N[C@H](C)c4ccccc4)C3)sc2c1 ZINC000103661446 560843721 /nfs/dbraw/zinc/84/37/21/560843721.db2.gz IVZJVHLZIRVYDR-AEFFLSMTSA-N 0 0 409.555 4.789 50 0 HJAARN CC(=O)N1C[C@H](C(=O)N[C@H](C)c2ccccc2)CC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000105044784 560860819 /nfs/dbraw/zinc/86/08/19/560860819.db2.gz RUJWYJPKFSJNRI-VMRPVKRXSA-N 0 0 418.459 4.882 50 0 HJAARN CC(C)c1ccc(S(=O)(=O)NCc2nc3cccnc3n2C2CCCCC2)cc1 ZINC000047146896 560882620 /nfs/dbraw/zinc/88/26/20/560882620.db2.gz DGOJYBAPRFLILF-UHFFFAOYSA-N 0 0 412.559 4.538 50 0 HJAARN COc1ccc(-c2nc(CN(C)Cc3cc(Br)ccc3OC)co2)cc1 ZINC000036694721 560883583 /nfs/dbraw/zinc/88/35/83/560883583.db2.gz IUGYHYSRMYDDAH-UHFFFAOYSA-N 0 0 417.303 4.753 50 0 HJAARN Cc1ccc(C(=O)Nc2cccc(/C=C3\N=C(c4ccccc4F)OC3=O)c2)cc1 ZINC000002657128 560885271 /nfs/dbraw/zinc/88/52/71/560885271.db2.gz SGMOIEFWBISASO-STZFKDTASA-N 0 0 400.409 4.731 50 0 HJAARN CC(C)NC(=O)c1ccc(Cl)c(NC(=O)COc2ccccc2C(F)(F)F)c1 ZINC000047407235 560886785 /nfs/dbraw/zinc/88/67/85/560886785.db2.gz LXFZYCBZEUWSSL-UHFFFAOYSA-N 0 0 414.811 4.515 50 0 HJAARN CCC(=O)c1ccc(OCC(=O)Nc2ccc(OC)c(-c3ccc(OC)cc3)c2)cc1 ZINC000012035114 560887289 /nfs/dbraw/zinc/88/72/89/560887289.db2.gz XJPUEENNVWRRQM-UHFFFAOYSA-N 0 0 419.477 4.981 50 0 HJAARN Cc1cccc(OCCSc2nc3ccccc3n2CC(=O)N2CCCC[C@H]2C)c1 ZINC000012062365 560888032 /nfs/dbraw/zinc/88/80/32/560888032.db2.gz HJRBJYBIOLTWKJ-LJQANCHMSA-N 0 0 423.582 4.917 50 0 HJAARN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccccc2NC(=O)N2CCCC2)c(C)c1C ZINC000047521363 560891105 /nfs/dbraw/zinc/89/11/05/560891105.db2.gz WTRPNRLRSRDATM-UHFFFAOYSA-N 0 0 415.559 4.657 50 0 HJAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(-n3cc[nH]c3=S)cc2)c1 ZINC000047536426 560892002 /nfs/dbraw/zinc/89/20/02/560892002.db2.gz VBPYWYJWECGJRT-IBGZPJMESA-N 0 0 409.511 4.529 50 0 HJAARN Fc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc4c(c3)OCCO4)=NN21 ZINC000106617377 560892757 /nfs/dbraw/zinc/89/27/57/560892757.db2.gz NMQFIBJTBABNOV-HYBUGGRVSA-N 0 0 402.425 4.839 50 0 HJAARN Cc1nnc([C@@H](NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)[nH]1 ZINC000111117493 560892891 /nfs/dbraw/zinc/89/28/91/560892891.db2.gz GORABBJIDJIIOE-HNNXBMFYSA-N 0 0 409.799 4.696 50 0 HJAARN COc1cc(Nc2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2)nc(C)n1 ZINC000012225701 560894214 /nfs/dbraw/zinc/89/42/14/560894214.db2.gz HYZQTANJJWRDAB-UHFFFAOYSA-N 0 0 401.829 4.974 50 0 HJAARN COC(=O)c1ccc([C@@H]2C(c3ccccc3)C(=O)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000045941977 568422296 /nfs/dbraw/zinc/42/22/96/568422296.db2.gz DVCWYMVSLUNKRD-JOCHJYFZSA-N 0 0 417.436 4.665 50 0 HJAARN O=C1C(=O)N(Cc2ccccn2)[C@H](c2cccc(Br)c2)C1c1ccccc1 ZINC000045942650 568422554 /nfs/dbraw/zinc/42/25/54/568422554.db2.gz AMQKHNQVUQLKAA-HXUWFJFHSA-N 0 0 421.294 4.897 50 0 HJAARN C[C@@H](C(=O)Nc1cccc(NC(=O)N2CCC[C@@H]2c2ccsc2)c1)n1cccn1 ZINC000046007145 568423626 /nfs/dbraw/zinc/42/36/26/568423626.db2.gz DPLPYFXLWBGHPW-HNAYVOBHSA-N 0 0 409.515 4.513 50 0 HJAARN O=C(CSC1=NC2(CCCC2)N=C1c1cccs1)Nc1ccc(F)c(F)c1 ZINC000046022493 568424219 /nfs/dbraw/zinc/42/42/19/568424219.db2.gz LGOHBFKWWLJWGQ-UHFFFAOYSA-N 0 0 405.495 4.870 50 0 HJAARN O=C(NCc1ccccc1Cl)[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000046044010 568424869 /nfs/dbraw/zinc/42/48/69/568424869.db2.gz IBSIAZJRPITGOE-MRXNPFEDSA-N 0 0 424.850 4.527 50 0 HJAARN Cc1ccc(C)c(NC(=O)[C@H]2CCCN(C(=O)Cc3cccc4ccccc43)C2)c1 ZINC000046045141 568425100 /nfs/dbraw/zinc/42/51/00/568425100.db2.gz AUFBYYBBRCUODM-QFIPXVFZSA-N 0 0 400.522 4.876 50 0 HJAARN Cc1ccc(C(=O)c2cn(Cc3ccccc3Cl)c3nc(C)ccc3c2=O)cc1 ZINC000046053794 568425502 /nfs/dbraw/zinc/42/55/02/568425502.db2.gz MTNSOJDMSSALLO-UHFFFAOYSA-N 0 0 402.881 4.946 50 0 HJAARN Cc1ccc(C)c(Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3ccc(C)nc32)c1 ZINC000046053820 568425570 /nfs/dbraw/zinc/42/55/70/568425570.db2.gz YBLIMODQJBSHHJ-UHFFFAOYSA-N 0 0 400.453 4.740 50 0 HJAARN CCCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(Cl)cc3)ccc2s1 ZINC000046058747 568426657 /nfs/dbraw/zinc/42/66/57/568426657.db2.gz YQRRASNDSTZKSM-UHFFFAOYSA-N 0 0 422.959 4.520 50 0 HJAARN Cc1ccc2c(c1)NC(=O)c1cc(S(=O)(=O)N(C)c3ccc(C)c(C)c3)ccc1O2 ZINC000046077451 568427362 /nfs/dbraw/zinc/42/73/62/568427362.db2.gz KXDJZPNUSNIKDD-UHFFFAOYSA-N 0 0 422.506 4.795 50 0 HJAARN COc1ccc(NC(=O)c2cccc(N3CCCN(Cc4ccccc4)C3=O)c2)cc1 ZINC000046080028 568428007 /nfs/dbraw/zinc/42/80/07/568428007.db2.gz JQFFVISOKUHANS-UHFFFAOYSA-N 0 0 415.493 4.780 50 0 HJAARN CCOC(=O)/C=C/c1ccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000048066057 568431859 /nfs/dbraw/zinc/43/18/59/568431859.db2.gz DJRKKQCHDFUZNU-GPZRYRNASA-N 0 0 418.497 4.551 50 0 HJAARN C[C@H]1C[C@H]1c1ccc(CCC(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)o1 ZINC000048260994 568433538 /nfs/dbraw/zinc/43/35/38/568433538.db2.gz XQIREKVYCABCFS-KBXCAEBGSA-N 0 0 401.453 4.735 50 0 HJAARN Cc1cc(C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)on1 ZINC000048253000 568434415 /nfs/dbraw/zinc/43/44/15/568434415.db2.gz IRHLFDFNMGWIEK-UHFFFAOYSA-N 0 0 401.797 4.955 50 0 HJAARN COc1ccc(C2=CCN(C(=O)c3cccnc3SCc3cc(C)on3)CC2)cc1 ZINC000048288776 568434820 /nfs/dbraw/zinc/43/48/20/568434820.db2.gz QYTWOUBXXZMIPD-UHFFFAOYSA-N 0 0 421.522 4.608 50 0 HJAARN C[C@H](Sc1ccc(Br)cn1)C(=O)Nc1cccc(Br)c1 ZINC000048303412 568436146 /nfs/dbraw/zinc/43/61/46/568436146.db2.gz DKNKUOGWXZBNHM-VIFPVBQESA-N 0 0 416.138 4.726 50 0 HJAARN Cc1ccc2c(c1)CCCN2C(=O)c1cc(C)nc2c1cnn2Cc1cccs1 ZINC000048303757 568436276 /nfs/dbraw/zinc/43/62/76/568436276.db2.gz VSFPQBZNJQNXTJ-UHFFFAOYSA-N 0 0 402.523 4.751 50 0 HJAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N(Cc1ccccn1)C1CC1 ZINC000048300045 568437270 /nfs/dbraw/zinc/43/72/70/568437270.db2.gz GHSSFVMCGPIQPQ-UHFFFAOYSA-N 0 0 411.509 4.879 50 0 HJAARN Cc1cc(Br)ccc1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364562 568438274 /nfs/dbraw/zinc/43/82/74/568438274.db2.gz LOOWIZSBIYUCPH-KRWDZBQOSA-N 0 0 423.310 4.916 50 0 HJAARN O=C(NCCOc1ccc(Cl)cc1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000048325489 568438693 /nfs/dbraw/zinc/43/86/93/568438693.db2.gz CDOHOYDDUGPJPP-UHFFFAOYSA-N 0 0 415.902 4.854 50 0 HJAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CCOc1cc(Cl)ccc1Cl ZINC000048326545 568439772 /nfs/dbraw/zinc/43/97/72/568439772.db2.gz DADSKKHJGUPSDC-UHFFFAOYSA-N 0 0 418.324 4.666 50 0 HJAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1nc(C(C)(C)C)no1)CC2 ZINC000048355786 568441523 /nfs/dbraw/zinc/44/15/23/568441523.db2.gz WQGQRYLBEIWWML-FQEVSTJZSA-N 0 0 413.543 4.594 50 0 HJAARN C[C@@H](Cc1cc(C(=O)N(C)Cc2cc(-c3ccccc3)on2)on1)c1ccccc1 ZINC000014887783 568442757 /nfs/dbraw/zinc/44/27/57/568442757.db2.gz RQOSZQJZUNSKHZ-KRWDZBQOSA-N 0 0 401.466 4.948 50 0 HJAARN O=C(Nc1ccc(S[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1)C1CCCCC1 ZINC000112287706 568443287 /nfs/dbraw/zinc/44/32/87/568443287.db2.gz SMFDOCSDADSDIS-HXUWFJFHSA-N 0 0 408.523 4.630 50 0 HJAARN COC(=O)c1c(=O)[nH]c2c(Cl)cccc2c1NCc1ccccc1C(F)(F)F ZINC000049001615 568443840 /nfs/dbraw/zinc/44/38/40/568443840.db2.gz YGZWDNBGYKUZAG-UHFFFAOYSA-N 0 0 410.779 4.599 50 0 HJAARN CCc1ccc(-c2noc(-c3ccc(CS(=O)(=O)c4ccc(C)cc4)o3)n2)cc1 ZINC000049001748 568443849 /nfs/dbraw/zinc/44/38/49/568443849.db2.gz FGNKBFAWDTZZIE-UHFFFAOYSA-N 0 0 408.479 4.841 50 0 HJAARN Cc1ccc2c(ncc(C(=O)N3CCSCC3)c2Nc2ccc(F)c(Cl)c2)n1 ZINC000049004879 568444243 /nfs/dbraw/zinc/44/42/43/568444243.db2.gz AHGHEFTZXFXTTG-UHFFFAOYSA-N 0 0 416.909 4.663 50 0 HJAARN CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(Br)c1 ZINC000049005587 568444571 /nfs/dbraw/zinc/44/45/71/568444571.db2.gz UXAWNMIQZJEJFW-UHFFFAOYSA-N 0 0 413.319 4.926 50 0 HJAARN Cc1nc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)cc(-c2ccccn2)n1 ZINC000049007152 568444911 /nfs/dbraw/zinc/44/49/11/568444911.db2.gz WJLYGIRTXDYAJT-UHFFFAOYSA-N 0 0 404.417 4.597 50 0 HJAARN COc1ccc(Nc2cc(C(=O)N3CCCCC3)nc3c(OC)cccc23)cc1OC ZINC000049003001 568446312 /nfs/dbraw/zinc/44/63/12/568446312.db2.gz GVDDXFWICYDJTG-UHFFFAOYSA-N 0 0 421.497 4.630 50 0 HJAARN COc1ccc(Nc2c(C(=O)N3CCCCC3)cnc3nc(C)ccc32)cc1Cl ZINC000049004661 568446723 /nfs/dbraw/zinc/44/67/23/568446723.db2.gz NBRZSJQSQCGWMJ-UHFFFAOYSA-N 0 0 410.905 4.970 50 0 HJAARN Cc1ccc(-c2noc(C3CCN(CC(=O)Nc4cc(Cl)ccc4C)CC3)n2)cc1 ZINC000049403307 568448227 /nfs/dbraw/zinc/44/82/27/568448227.db2.gz QMCIJCKQKACPFE-UHFFFAOYSA-N 0 0 424.932 4.825 50 0 HJAARN COc1ccc(-c2noc(-c3ccc(SCC(=O)Nc4ccccc4)nc3)n2)cc1 ZINC000049405669 568448712 /nfs/dbraw/zinc/44/87/12/568448712.db2.gz IOOYQNDRHKWCJV-UHFFFAOYSA-N 0 0 418.478 4.538 50 0 HJAARN O=C(Nc1ccccc1)c1cn(Cc2ccc(NC(=O)c3cccc(F)c3)cc2)cn1 ZINC000049422248 568450847 /nfs/dbraw/zinc/45/08/47/568450847.db2.gz UYJVJMXSOREPHD-UHFFFAOYSA-N 0 0 414.440 4.575 50 0 HJAARN O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2)c1ccc(-n2cccc2)cc1 ZINC000049524315 568452454 /nfs/dbraw/zinc/45/24/54/568452454.db2.gz SCAUKRAVFIXLIY-NRFANRHFSA-N 0 0 415.493 4.507 50 0 HJAARN Nc1cccc(S[C@@H]2CC(=O)N(c3ccc(/C=C/c4ccccc4)cc3)C2=O)c1 ZINC000113561564 568452956 /nfs/dbraw/zinc/45/29/56/568452956.db2.gz IJUMOZLRTOSJJM-DGSRBQDKSA-N 0 0 400.503 4.863 50 0 HJAARN Cc1ccn2cc(C(=O)Nc3ccccc3NC(=O)c3ccc(Cl)cc3)nc2c1 ZINC000024640717 568455293 /nfs/dbraw/zinc/45/52/93/568455293.db2.gz LBROKUDOJXWVBN-UHFFFAOYSA-N 0 0 404.857 4.801 50 0 HJAARN Cc1cc(C(=O)CSc2nnc(-c3cccc(C)c3)n2Cc2ccco2)c(C)n1C ZINC000005196290 568455332 /nfs/dbraw/zinc/45/53/32/568455332.db2.gz TZZNCDGIVIMDGZ-UHFFFAOYSA-N 0 0 420.538 4.825 50 0 HJAARN COC(=O)c1ccc(NC(=O)c2sc3nc(-c4ccccc4)ccc3c2N)cc1 ZINC000012249750 568455864 /nfs/dbraw/zinc/45/58/64/568455864.db2.gz CCDVHIFSYJXSPR-UHFFFAOYSA-N 0 0 403.463 4.584 50 0 HJAARN CC(=O)N[C@H](CC(=O)Nc1nc(-c2ccccc2Cl)cs1)c1cccs1 ZINC000012253597 568456170 /nfs/dbraw/zinc/45/61/70/568456170.db2.gz HIDJVXPVAJLFQX-CQSZACIVSA-N 0 0 405.932 4.731 50 0 HJAARN CC(=O)N[C@H](CC(=O)N[C@@H](c1cccs1)c1ccccc1)c1ccc(Cl)cc1 ZINC000012270512 568457214 /nfs/dbraw/zinc/45/72/14/568457214.db2.gz ZWNSVHKBCYVGDS-DENIHFKCSA-N 0 0 412.942 4.875 50 0 HJAARN COc1cccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)c1 ZINC000000646133 568457281 /nfs/dbraw/zinc/45/72/81/568457281.db2.gz SWLDRMFQXKCVLJ-XMMPIXPASA-N 0 0 403.478 4.500 50 0 HJAARN CCC(CC)C(=O)N(Cc1ccco1)Cc1cc(NC(=O)C2CC2)ccc1N(C)C ZINC000006696343 568457486 /nfs/dbraw/zinc/45/74/86/568457486.db2.gz UBAOMXYOYNSSJC-UHFFFAOYSA-N 0 0 411.546 4.659 50 0 HJAARN Cc1nn(Cc2ccc(C(=O)Nc3ccc(C)c(F)c3)o2)c(C)c1Br ZINC000000679950 568461426 /nfs/dbraw/zinc/46/14/26/568461426.db2.gz KGTHAEVTFMURGM-UHFFFAOYSA-N 0 0 406.255 4.604 50 0 HJAARN Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000000678420 568461440 /nfs/dbraw/zinc/46/14/40/568461440.db2.gz OMSISOQNNBNMIU-UHFFFAOYSA-N 0 0 402.825 4.559 50 0 HJAARN O=C1C(=Cc2cn(Cc3ccccc3)c3ccccc23)NC(=S)N1c1ccccc1 ZINC000000683453 568461562 /nfs/dbraw/zinc/46/15/62/568461562.db2.gz CMENIFZYQJPWMV-PXLXIMEGSA-N 0 0 409.514 4.952 50 0 HJAARN O=C(CCCn1c(=O)oc2ccccc21)Nc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000006880201 568463176 /nfs/dbraw/zinc/46/31/76/568463176.db2.gz JKVKMMFOONWVBB-UHFFFAOYSA-N 0 0 419.506 4.626 50 0 HJAARN Cc1ccc(OCC(=O)Nc2ccc3nn(-c4cccc(Cl)c4)nc3c2)c(C)c1 ZINC000000707399 568463618 /nfs/dbraw/zinc/46/36/18/568463618.db2.gz BJYYJEPONUTAGP-UHFFFAOYSA-N 0 0 406.873 4.708 50 0 HJAARN CSc1ncc(C(=O)NCc2cccc(Br)c2)c(-c2ccccc2)n1 ZINC000006938226 568464816 /nfs/dbraw/zinc/46/48/16/568464816.db2.gz VBWKPSDTSGTNIM-UHFFFAOYSA-N 0 0 414.328 4.558 50 0 HJAARN CCOc1ccc([C@@H]2Oc3ccc(Br)cc3C=C2[N+](=O)[O-])cc1OC ZINC000000718202 568465885 /nfs/dbraw/zinc/46/58/85/568465885.db2.gz BTRSBKSFEIYBQY-SFHVURJKSA-N 0 0 406.232 4.608 50 0 HJAARN CCOC(=O)c1c(NC(=O)COc2ccc3ccccc3c2)sc2c1CCCC2 ZINC000000723726 568466464 /nfs/dbraw/zinc/46/64/64/568466464.db2.gz DGFDIUCJYADZGZ-UHFFFAOYSA-N 0 0 409.507 4.974 50 0 HJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ncnc2sc3c(c21)CCCC3 ZINC000000751982 568470930 /nfs/dbraw/zinc/47/09/30/568470930.db2.gz BLFYQRXKJPWDFX-UHFFFAOYSA-N 0 0 408.310 4.894 50 0 HJAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NCc1cccs1 ZINC000000781004 568474800 /nfs/dbraw/zinc/47/48/00/568474800.db2.gz LBOGGCMZSVNHIG-UHFFFAOYSA-N 0 0 418.547 4.676 50 0 HJAARN C[C@@H]1CCc2c(sc3ncnc(SCC(=O)c4ccc5c(c4)OCCO5)c32)C1 ZINC000000781906 568475076 /nfs/dbraw/zinc/47/50/76/568475076.db2.gz PTTLYKNHUVTDKY-GFCCVEGCSA-N 0 0 412.536 4.562 50 0 HJAARN C[C@H](Sc1nnc2ccccn21)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000007297304 568478770 /nfs/dbraw/zinc/47/87/70/568478770.db2.gz PHOAIWNQVIRAIW-HNNXBMFYSA-N 0 0 406.536 5.000 50 0 HJAARN Cc1cc(-c2cc(C(=O)N(C)CCOc3ccc(C)cc3)c3c(C)noc3n2)c(C)o1 ZINC000024895170 568478936 /nfs/dbraw/zinc/47/89/36/568478936.db2.gz SONOLPFGNSOHKH-UHFFFAOYSA-N 0 0 419.481 4.867 50 0 HJAARN COc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(C)cc3C)c3ccccn32)cc1 ZINC000012342011 568483342 /nfs/dbraw/zinc/48/33/42/568483342.db2.gz JHSWCDHZUSVQOJ-UHFFFAOYSA-N 0 0 413.477 4.630 50 0 HJAARN COc1cccc(NC(=O)c2c(N)c(C(=O)c3ccc(Cl)cc3)n3ccccc23)c1 ZINC000012342041 568484231 /nfs/dbraw/zinc/48/42/31/568484231.db2.gz YDYUUWBCLULZOU-UHFFFAOYSA-N 0 0 419.868 4.667 50 0 HJAARN COc1ccc(OC)c([C@H]2CCCN2CC(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000007717484 568484315 /nfs/dbraw/zinc/48/43/15/568484315.db2.gz HRIPNLZUCXNNJR-QGZVFWFLSA-N 0 0 409.313 4.786 50 0 HJAARN CNC(=O)c1cccc(NC(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 ZINC000022356751 568484768 /nfs/dbraw/zinc/48/47/68/568484768.db2.gz MZQHAUGSVBPYSE-UHFFFAOYSA-N 0 0 424.884 4.540 50 0 HJAARN COc1cccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2C2CC2)c1 ZINC000007789687 568484878 /nfs/dbraw/zinc/48/48/78/568484878.db2.gz YYCJCAQRWJQMIH-UHFFFAOYSA-N 0 0 419.510 4.501 50 0 HJAARN FC(F)(F)c1cccc(N2CCN(Cc3cc(Br)cs3)CC2)c1 ZINC000055543561 568489026 /nfs/dbraw/zinc/48/90/26/568489026.db2.gz PTDSLTSUPPHGSJ-UHFFFAOYSA-N 0 0 405.283 4.852 50 0 HJAARN CCOc1ccc(SCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 ZINC000008075433 568490207 /nfs/dbraw/zinc/49/02/07/568490207.db2.gz WBIMFPRVOORJBE-UHFFFAOYSA-N 0 0 422.554 4.801 50 0 HJAARN CCCNc1nnc(SCc2nnc(-c3c(C)onc3-c3ccccc3)o2)s1 ZINC000008157113 568491307 /nfs/dbraw/zinc/49/13/07/568491307.db2.gz XOEDQQXGJQZHCJ-UHFFFAOYSA-N 0 0 414.516 4.666 50 0 HJAARN COc1ccc([C@H](NC(=O)c2cc3c4ccccc4[nH]c3c(=O)s2)C(C)C)cc1 ZINC000604419259 568493105 /nfs/dbraw/zinc/49/31/05/568493105.db2.gz BDOFPAVRXCLLRP-HXUWFJFHSA-N 0 0 406.507 4.879 50 0 HJAARN O=C(c1cc2c(c(Cl)c1)OCO2)N1CCC(c2nc3ccccc3s2)CC1 ZINC000008305839 568496721 /nfs/dbraw/zinc/49/67/21/568496721.db2.gz BIIJTXVZTVACJO-UHFFFAOYSA-N 0 0 400.887 4.698 50 0 HJAARN Cc1ccc(C(=O)N/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N(C)C)cc1 ZINC000000823327 568498724 /nfs/dbraw/zinc/49/87/24/568498724.db2.gz BRBYATVRDAWKML-HAVVHWLPSA-N 0 0 400.478 4.646 50 0 HJAARN O=C(N[C@@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl)c1ccco1 ZINC000000823823 568498827 /nfs/dbraw/zinc/49/88/27/568498827.db2.gz PNMBVJSRKQFMLF-GFCCVEGCSA-N 0 0 401.599 4.837 50 0 HJAARN COCCn1c(SCc2cccc(Br)c2)nnc1-c1ccccc1 ZINC000012351221 568499093 /nfs/dbraw/zinc/49/90/93/568499093.db2.gz JZTWLJPIXJYXPP-UHFFFAOYSA-N 0 0 404.333 4.646 50 0 HJAARN Cc1ccc([C@](O)(CCNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)C(F)(F)F)o1 ZINC000031570834 568504327 /nfs/dbraw/zinc/50/43/27/568504327.db2.gz YHUOYXWXVFWCDG-SJKOYZFVSA-N 0 0 421.868 4.678 50 0 HJAARN COc1cc(NC(=O)c2cc3nc(N4CCCCC4)sc3s2)cc(OC)c1 ZINC000033300988 568513375 /nfs/dbraw/zinc/51/33/75/568513375.db2.gz LWXQGOLMQUMVRG-UHFFFAOYSA-N 0 0 403.529 4.618 50 0 HJAARN Cc1cc(=O)c(C(=O)N(C)C)c2n1-c1ccccc1S[C@H](c1ccccc1Cl)C2 ZINC000014979313 568549024 /nfs/dbraw/zinc/54/90/24/568549024.db2.gz OPWRUJSHVXKELI-NRFANRHFSA-N 0 0 424.953 4.891 50 0 HJAARN COc1c2c(cc3c1[C@@H](CC(=O)c1cc(Cl)ccc1Cl)N(C)CC3)OCO2 ZINC000020113077 568589057 /nfs/dbraw/zinc/58/90/57/568589057.db2.gz DPAXTWIRFDWEOO-OAHLLOKOSA-N 0 0 408.281 4.533 50 0 biogenic HJAARN CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccc(C(=O)NC3CC3)cc21 ZINC000020180535 568593129 /nfs/dbraw/zinc/59/31/29/568593129.db2.gz BAHOGDNVGKVUNY-ZDLGFXPLSA-N 0 0 418.440 4.707 50 0 HJAARN Cc1ccc(-n2ncc3c2nc(-c2ccco2)n(-c2ccc(F)c(Cl)c2)c3=O)cc1 ZINC000020211481 568594472 /nfs/dbraw/zinc/59/44/72/568594472.db2.gz IMBZWBWZARFLGY-UHFFFAOYSA-N 0 0 420.831 4.932 50 0 HJAARN C[C@H](NC(=O)Oc1ccccc1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020288526 568597919 /nfs/dbraw/zinc/59/79/19/568597919.db2.gz JFUMCMXUZNHAFC-CVDCTZTESA-N 0 0 421.566 4.789 50 0 HJAARN C[C@@H](NC(=O)c1ccc(F)cc1)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020288458 568597993 /nfs/dbraw/zinc/59/79/93/568597993.db2.gz IYGIPWWXXZHXFW-WZONZLPQSA-N 0 0 423.557 4.569 50 0 HJAARN Cc1cccc(N2CCN(c3ncnc4onc(-c5ccc(Cl)cc5)c43)C[C@@H]2C)c1 ZINC000020329544 568599058 /nfs/dbraw/zinc/59/90/58/568599058.db2.gz XXQRYWZNXBWGIR-INIZCTEOSA-N 0 0 419.916 4.962 50 0 HJAARN O=C(OCc1cncc(Br)c1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000095350045 568600697 /nfs/dbraw/zinc/60/06/97/568600697.db2.gz WFCLTFQLIGDJDS-UONOGXRCSA-N 0 0 400.194 4.710 50 0 HJAARN CSc1nc2n(n1)[C@@H](c1ccccc1)C(C(=O)Nc1ccc(Cl)cc1)=C(C)N2 ZINC000080325182 568601650 /nfs/dbraw/zinc/60/16/50/568601650.db2.gz OFNUYQSNTDKCOG-KRWDZBQOSA-N 0 0 411.918 4.581 50 0 HJAARN CCc1ccc2ncc(S(=O)(=O)c3ccc(OC)cc3)c(N3CCC(C)CC3)c2c1 ZINC000020381685 568602745 /nfs/dbraw/zinc/60/27/45/568602745.db2.gz NRJDVCJHKFGQIW-UHFFFAOYSA-N 0 0 424.566 4.875 50 0 HJAARN Cc1nc2cc(NC(=O)[C@@H]3CCC[C@H]3C(=O)Nc3ccc4oc(C)nc4c3)ccc2o1 ZINC000095441920 568610978 /nfs/dbraw/zinc/61/09/78/568610978.db2.gz OUYUEEKXSORJAM-IAGOWNOFSA-N 0 0 418.453 4.579 50 0 HJAARN Cc1noc(C)c1COc1cccc(C(=O)N[C@@H]2CCCC[C@H]2OC2CCCC2)c1 ZINC000095444882 568611674 /nfs/dbraw/zinc/61/16/74/568611674.db2.gz HWOBHVHNYKOURE-DHIUTWEWSA-N 0 0 412.530 4.871 50 0 HJAARN CC(C)Cn1cc(NCc2cc3c(c(Br)c2)OCO3)c(C(F)F)n1 ZINC000095455356 568616981 /nfs/dbraw/zinc/61/69/81/568616981.db2.gz WPZCAUCCVWQASI-UHFFFAOYSA-N 0 0 402.239 4.580 50 0 HJAARN NC(=O)Nc1cccc(NC(=O)[C@H]2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000095465135 568623069 /nfs/dbraw/zinc/62/30/69/568623069.db2.gz QBIWZEGHVKJQOR-HOTGVXAUSA-N 0 0 411.893 4.619 50 0 HJAARN COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cc1OC ZINC000095474589 568629259 /nfs/dbraw/zinc/62/92/59/568629259.db2.gz LHBKRXUQNARFBE-KSSFIOAISA-N 0 0 417.531 4.622 50 0 HJAARN COc1ccc(-n2cnc3c2[C@@H](c2ccc(O)c(Cl)c2)SCC(=O)N3)cc1 ZINC000095475745 568630039 /nfs/dbraw/zinc/63/00/39/568630039.db2.gz WYSYDNBVXXNMPQ-GOSISDBHSA-N 0 0 401.875 4.664 50 0 HJAARN O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2)c1ccccc1-c1ccccc1 ZINC000095478611 568631901 /nfs/dbraw/zinc/63/19/01/568631901.db2.gz KUMOOELXKAERAQ-QFIPXVFZSA-N 0 0 411.461 4.812 50 0 HJAARN CC(C)n1[nH]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(OCCc2ccccc2)cc1 ZINC000095480327 568633076 /nfs/dbraw/zinc/63/30/76/568633076.db2.gz IWHAAMKBNPGHLO-NRFANRHFSA-N 0 0 423.538 4.803 50 0 HJAARN CC[C@@H](Oc1cccc(C)c1C)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000095482403 568634421 /nfs/dbraw/zinc/63/44/21/568634421.db2.gz FJPXMDLVFHUJHR-GOSISDBHSA-N 0 0 413.905 4.823 50 0 HJAARN C[S@](=O)Cc1cc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)ccc1Cl ZINC000225408520 568634950 /nfs/dbraw/zinc/63/49/50/568634950.db2.gz DGISDWAOSGVDAQ-IZEVZFMRSA-N 0 0 400.302 4.753 50 0 HJAARN Cc1c(C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)sc2nc(C)nc(N3CCCCC3)c12 ZINC000020756895 568641360 /nfs/dbraw/zinc/64/13/60/568641360.db2.gz RPFVSCMMIDOYPI-CKEIUWERSA-N 0 0 400.592 4.853 50 0 HJAARN CCc1cccc(C)c1NC(=O)c1cnc2scc(-c3ccc(C)cc3)n2c1=O ZINC000020768047 568643435 /nfs/dbraw/zinc/64/34/35/568643435.db2.gz MVZVJEUAEKZWBV-UHFFFAOYSA-N 0 0 403.507 4.855 50 0 HJAARN CSc1ccccc1NC(=O)c1cnc2scc(-c3ccc(F)cc3)n2c1=O ZINC000020767948 568643517 /nfs/dbraw/zinc/64/35/17/568643517.db2.gz NBGHPYWYDHDLAW-UHFFFAOYSA-N 0 0 411.483 4.536 50 0 HJAARN CCCCN(CC)C(=O)c1cc2c(-c3ccc(OC)c(OC)c3)nn(C)c2s1 ZINC000020855877 568645481 /nfs/dbraw/zinc/64/54/81/568645481.db2.gz SRELJRPWURZUKM-UHFFFAOYSA-N 0 0 401.532 4.581 50 0 HJAARN O=C(NCc1ccccc1F)c1cc(-c2cccs2)nn1Cc1ccc(F)cc1 ZINC000020864162 568646416 /nfs/dbraw/zinc/64/64/16/568646416.db2.gz BJHJOJQJTSBHJC-UHFFFAOYSA-N 0 0 409.461 4.868 50 0 HJAARN O=C(CCN1c2ccccc2Sc2ncccc2C1=O)NC1CCCCCCC1 ZINC000020864671 568646459 /nfs/dbraw/zinc/64/64/59/568646459.db2.gz MIZGKYYXUAHVLH-UHFFFAOYSA-N 0 0 409.555 4.812 50 0 HJAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1CNC(=O)Nc1cccc(Cl)c1 ZINC000020864747 568646488 /nfs/dbraw/zinc/64/64/88/568646488.db2.gz WGMLATCYYXOMAO-UHFFFAOYSA-N 0 0 405.889 4.947 50 0 HJAARN Cc1csc(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccc(C)cc3)c2C)n1 ZINC000020867273 568646987 /nfs/dbraw/zinc/64/69/87/568646987.db2.gz ZAGBFURRLISSDI-UHFFFAOYSA-N 0 0 419.554 4.990 50 0 HJAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1ccccc1C)SCC(=O)N2 ZINC000020891072 568647600 /nfs/dbraw/zinc/64/76/00/568647600.db2.gz FQLIGXMDIYBZCQ-IBGZPJMESA-N 0 0 406.536 4.874 50 0 HJAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1ccccc1C)SCC(=O)N2 ZINC000020891076 568647693 /nfs/dbraw/zinc/64/76/93/568647693.db2.gz FQLIGXMDIYBZCQ-LJQANCHMSA-N 0 0 406.536 4.874 50 0 HJAARN COc1ccc(-n2nc(C)c3c2NC(=O)CS[C@@H]3c2ccc(SC)cc2)cc1 ZINC000020892826 568648102 /nfs/dbraw/zinc/64/81/02/568648102.db2.gz MLVYNFQAEXYJTI-HXUWFJFHSA-N 0 0 411.552 4.686 50 0 HJAARN CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3cccc(OC)c3)sc2c1 ZINC000020894962 568648649 /nfs/dbraw/zinc/64/86/49/568648649.db2.gz KRGOPTKAFVTJNZ-UHFFFAOYSA-N 0 0 415.540 4.774 50 0 HJAARN Cc1ccc(-c2ccc(C(=O)Nc3cccnc3N3CCOCC3)c(F)c2)cc1C ZINC000225552372 568650401 /nfs/dbraw/zinc/65/04/01/568650401.db2.gz DXUDMPODLMAPQS-UHFFFAOYSA-N 0 0 405.473 4.593 50 0 HJAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1c1ccccc1F ZINC000020902779 568650409 /nfs/dbraw/zinc/65/04/09/568650409.db2.gz OQPROJQUJLDPEE-VWLOTQADSA-N 0 0 419.500 4.648 50 0 HJAARN O=C(Nc1ccc(F)cc1)C1CCN(c2nc(C(F)F)nc3ccccc32)CC1 ZINC000225553844 568650593 /nfs/dbraw/zinc/65/05/93/568650593.db2.gz JCZSNJKFIQVKHF-UHFFFAOYSA-N 0 0 400.404 4.562 50 0 HJAARN CCN(C(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12)c1ccc(F)cc1 ZINC000020904480 568650570 /nfs/dbraw/zinc/65/05/70/568650570.db2.gz BBYKWTZSDMWYMX-UHFFFAOYSA-N 0 0 416.452 4.805 50 0 HJAARN Cc1cccc(N(C)S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)c1 ZINC000020977858 568653865 /nfs/dbraw/zinc/65/38/65/568653865.db2.gz RSPYCDXSXVSKBG-UHFFFAOYSA-N 0 0 402.419 4.555 50 0 HJAARN CC(=O)Nc1ccc(NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C(C)C)cc1 ZINC000020979032 568654178 /nfs/dbraw/zinc/65/41/78/568654178.db2.gz ATODORSBCIAMTO-UHFFFAOYSA-N 0 0 413.499 4.533 50 0 HJAARN Cc1c(C[NH2+]Cc2cccc(Br)c2)c(C(=O)[O-])c(C)n1-c1ccccc1 ZINC000021025903 568658741 /nfs/dbraw/zinc/65/87/41/568658741.db2.gz OCHURPURMBUGGB-UHFFFAOYSA-N 0 0 413.315 4.845 50 0 HJAARN COc1ccccc1-c1nn(Cc2ccccc2)cc1CNc1cnc2n[nH]c(C)c2c1 ZINC000095943681 568662790 /nfs/dbraw/zinc/66/27/90/568662790.db2.gz ONGGOQQDBOXEOC-UHFFFAOYSA-N 0 0 424.508 4.799 50 0 HJAARN COc1cc(OC)c(Nc2cc(C)nc3nc(-c4cccc(C)c4)nn32)cc1Cl ZINC000021089412 568663793 /nfs/dbraw/zinc/66/37/93/568663793.db2.gz WZDLZORMSVFCLK-UHFFFAOYSA-N 0 0 409.877 4.822 50 0 HJAARN CC(C)c1ccc(NC(=O)CSc2nc(=O)c3cccnc3n2C2CCCC2)cc1 ZINC000021098611 568665927 /nfs/dbraw/zinc/66/59/27/568665927.db2.gz PYRUGEVYFPHCLQ-UHFFFAOYSA-N 0 0 422.554 4.761 50 0 HJAARN Cc1cc(C)c2c(=O)nc(SCc3ccccn3)n(-c3cccc(C)c3C)c2n1 ZINC000021098572 568665936 /nfs/dbraw/zinc/66/59/36/568665936.db2.gz PHFWJAVZGPAVNH-UHFFFAOYSA-N 0 0 402.523 4.702 50 0 HJAARN O=c1c2ccc[nH]c-2c(Nc2ccc(Br)cc2)n1Cc1ccc(F)cc1 ZINC000021104617 568666746 /nfs/dbraw/zinc/66/67/46/568666746.db2.gz PXQIZQRWGWEOOK-IBGZPJMESA-N 0 0 412.262 4.750 50 0 HJAARN COc1ccc(OC)c(-n2c(Nc3ccc(C(C)C)cc3)c3[nH]cccc-3c2=O)c1 ZINC000021105714 568666948 /nfs/dbraw/zinc/66/69/48/568666948.db2.gz GYHPTDCMIIDINX-QHCPKHFHSA-N 0 0 403.482 4.993 50 0 HJAARN COc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cccc(Br)c2)cc1 ZINC000021106657 568667219 /nfs/dbraw/zinc/66/72/19/568667219.db2.gz BQXHANBHTPMLTR-IBGZPJMESA-N 0 0 410.271 4.624 50 0 HJAARN COc1cc(OC)c(Nc2c3[nH]cccc-3c(=O)n2-c2ccc(C)cc2)cc1Cl ZINC000021107790 568667411 /nfs/dbraw/zinc/66/74/11/568667411.db2.gz DUUOYKRZVZSWJR-NRFANRHFSA-N 0 0 409.873 4.832 50 0 HJAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(OC(F)F)cc3OC(F)F)cc2)n1 ZINC000095949694 568667531 /nfs/dbraw/zinc/66/75/31/568667531.db2.gz QAOAFGXWXUAXNY-UHFFFAOYSA-N 0 0 423.366 4.944 50 0 HJAARN Cc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3ccccc3n2)cc1C ZINC000021156587 568673873 /nfs/dbraw/zinc/67/38/73/568673873.db2.gz FEEHPEOHROMDPV-UHFFFAOYSA-N 0 0 414.465 4.534 50 0 HJAARN CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1Br ZINC000225781519 568674415 /nfs/dbraw/zinc/67/44/15/568674415.db2.gz NVBPWQSDGUHULI-QGZVFWFLSA-N 0 0 422.120 4.909 50 0 HJAARN CC[C@@H](C)NC(=O)C1CCN(c2nc3ccccc3n2Cc2ccccc2C)CC1 ZINC000021160084 568674526 /nfs/dbraw/zinc/67/45/26/568674526.db2.gz ZOVYJNHPSVVACA-LJQANCHMSA-N 0 0 404.558 4.524 50 0 HJAARN COc1ccc(NC(=O)c2cc3c(s2)-c2ccc(Cl)cc2S(=O)(=O)C3)cc1 ZINC000021166842 568674818 /nfs/dbraw/zinc/67/48/18/568674818.db2.gz UYGGIWLEYVKHQM-UHFFFAOYSA-N 0 0 419.911 4.617 50 0 HJAARN C[C@H]1CCCC[C@@H]1NC(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2 ZINC000021166925 568674951 /nfs/dbraw/zinc/67/49/51/568674951.db2.gz DKWYGVSTCRNWAH-NHYWBVRUSA-N 0 0 409.960 4.664 50 0 HJAARN C[C@H]1CCCC[C@H]1NC(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2 ZINC000021166935 568674966 /nfs/dbraw/zinc/67/49/66/568674966.db2.gz DKWYGVSTCRNWAH-XHDPSFHLSA-N 0 0 409.960 4.664 50 0 HJAARN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2N2CCCCC2)c1 ZINC000095994531 568678450 /nfs/dbraw/zinc/67/84/50/568678450.db2.gz PWYZPIRFJNUTMG-UHFFFAOYSA-N 0 0 413.949 4.855 50 0 HJAARN O=C(Cc1coc(-c2ccc(Cl)cc2)n1)NCC1(c2ccncc2)CCCCC1 ZINC000096011849 568684281 /nfs/dbraw/zinc/68/42/81/568684281.db2.gz VVGBZZPOGDLTSO-UHFFFAOYSA-N 0 0 409.917 4.951 50 0 HJAARN CC(C)C(=O)Nc1nc2ccc(CCC(=O)NCc3ccccc3Cl)cc2s1 ZINC000021353109 568687836 /nfs/dbraw/zinc/68/78/36/568687836.db2.gz DLBOHMOTCWILBQ-UHFFFAOYSA-N 0 0 415.946 4.793 50 0 HJAARN Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(CCc2nc3ccccc3n2C)c1 ZINC000021357345 568688273 /nfs/dbraw/zinc/68/82/73/568688273.db2.gz CNTXBPGRQGALFZ-UHFFFAOYSA-N 0 0 423.513 4.607 50 0 HJAARN CCOc1ccc(S(=O)(=O)Nc2ccccc2CCc2nc3ccccc3[nH]2)cc1 ZINC000021357267 568688345 /nfs/dbraw/zinc/68/83/45/568688345.db2.gz NBEYGIUJMYNJBP-UHFFFAOYSA-N 0 0 421.522 4.548 50 0 HJAARN CCc1ccccc1S(=O)(=O)Nc1ccccc1CCc1nc2ccccc2n1C ZINC000021357195 568688393 /nfs/dbraw/zinc/68/83/93/568688393.db2.gz IZSGEOHAUFJJHC-UHFFFAOYSA-N 0 0 419.550 4.722 50 0 HJAARN Cc1ccc(F)cc1S(=O)(=O)Nc1ccccc1CCc1nc2ccccc2n1C ZINC000021357143 568688414 /nfs/dbraw/zinc/68/84/14/568688414.db2.gz GLWCTRSUGZHQIY-UHFFFAOYSA-N 0 0 423.513 4.607 50 0 HJAARN Cc1noc(Cc2ccccc2NC(=O)c2c(C)onc2-c2ccccc2Cl)n1 ZINC000096097054 568689339 /nfs/dbraw/zinc/68/93/39/568689339.db2.gz CJSMASJREXYUGR-UHFFFAOYSA-N 0 0 408.845 4.838 50 0 HJAARN Cc1ccc2[nH]c(C(=O)NCc3ccc(F)cc3)c(NC(=O)c3ccc(F)cc3)c2c1 ZINC000021361914 568690296 /nfs/dbraw/zinc/69/02/96/568690296.db2.gz NPGJFTSYIOSTKA-UHFFFAOYSA-N 0 0 419.431 4.937 50 0 HJAARN CC[C@@H]1CCCCN1C(=O)COC(=O)/C(=C\c1cccc(OC)c1)c1ccccc1 ZINC000096113640 568693443 /nfs/dbraw/zinc/69/34/43/568693443.db2.gz MRSACZXPGMDMCO-VLZCYVRTSA-N 0 0 407.510 4.570 50 0 HJAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccc(F)cc2Cl)S1 ZINC000096118444 568698015 /nfs/dbraw/zinc/69/80/15/568698015.db2.gz OBCGQQQDKNVMSQ-BLLLJJGKSA-N 0 0 409.914 4.985 50 0 HJAARN Cc1noc(C)c1CCC(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12 ZINC000096118819 568698593 /nfs/dbraw/zinc/69/85/93/568698593.db2.gz XMWSARIPSUJOTH-UHFFFAOYSA-N 0 0 417.509 4.643 50 0 HJAARN O=S(=O)(c1ccccc1OC(F)(F)F)N(Cc1ccsc1)Cc1ccco1 ZINC000096120268 568699285 /nfs/dbraw/zinc/69/92/85/568699285.db2.gz NQQNUYILUYIWRW-UHFFFAOYSA-N 0 0 417.430 4.631 50 0 HJAARN COc1ccc(C)cc1NC(=O)N1CC[C@H](Cc2nc3cccnc3n2CC(C)C)C1 ZINC000096124997 568700967 /nfs/dbraw/zinc/70/09/67/568700967.db2.gz FHYLFOCXWVEWOX-GOSISDBHSA-N 0 0 421.545 4.501 50 0 HJAARN C/C=C\c1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)c(OC)c1 ZINC000096129702 568701649 /nfs/dbraw/zinc/70/16/49/568701649.db2.gz KBEZDMWYHKEPRM-UTCJRWHESA-N 0 0 406.438 4.591 50 0 HJAARN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)/C=C\c1ccc(Br)s1 ZINC000096130023 568701929 /nfs/dbraw/zinc/70/19/29/568701929.db2.gz JOWUTPULPVTAAI-CLFYSBASSA-N 0 0 405.317 4.819 50 0 HJAARN CC(C)(C)c1cc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)on1 ZINC000096167251 568702316 /nfs/dbraw/zinc/70/23/16/568702316.db2.gz CTALCWYIQYHMTN-IBGZPJMESA-N 0 0 401.557 4.681 50 0 HJAARN O=C(CSC1=N[C@@H]2Nc3ccccc3[C@H]2N=N1)c1ccc(Br)cc1 ZINC000096191566 568703524 /nfs/dbraw/zinc/70/35/24/568703524.db2.gz IAFNBRWCIVSKTH-CVEARBPZSA-N 0 0 401.289 4.680 50 0 HJAARN COc1ccc2c(ccn2CCC(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)c1 ZINC000096230752 568706870 /nfs/dbraw/zinc/70/68/70/568706870.db2.gz BVMQKRZDVRQOQP-FQEVSTJZSA-N 0 0 422.554 4.527 50 0 HJAARN COC(=O)c1nc(NC(=O)c2sc(C)nc2C(C)C)sc1-c1ccccc1 ZINC000096231822 568707479 /nfs/dbraw/zinc/70/74/79/568707479.db2.gz CCAUNTNEIDMVOF-UHFFFAOYSA-N 0 0 401.513 4.737 50 0 HJAARN CCOc1ccccc1NC(=O)COc1ccccc1-c1nc(-c2ccccc2)no1 ZINC000021524620 568709203 /nfs/dbraw/zinc/70/92/03/568709203.db2.gz XZSQKVPEEJXOLI-UHFFFAOYSA-N 0 0 415.449 4.820 50 0 HJAARN CCOC(=O)c1ccc(Nc2nc(-c3cc4cc(OC)ccc4oc3=O)cs2)cc1 ZINC000000856336 568713143 /nfs/dbraw/zinc/71/31/43/568713143.db2.gz HEGZLVMVSGNTNF-UHFFFAOYSA-N 0 0 422.462 4.845 50 0 HJAARN Cc1cc(C)c2c(-n3cccc3)nn(CCCC(=O)NCCC3=CCCCC3)c2n1 ZINC000021540035 568713445 /nfs/dbraw/zinc/71/34/45/568713445.db2.gz JEADEZUODWVTFX-UHFFFAOYSA-N 0 0 405.546 4.626 50 0 HJAARN CCn1c(C(=O)NC[C@]2(C)CCCO2)cc2cc(NC(=O)c3ccc(C)cc3)ccc21 ZINC000096275289 568714266 /nfs/dbraw/zinc/71/42/66/568714266.db2.gz QUZIJZNWKZYFKK-VWLOTQADSA-N 0 0 419.525 4.521 50 0 HJAARN CC[C@H](C)[C@@H](NC(=O)COCc1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096276099 568715120 /nfs/dbraw/zinc/71/51/20/568715120.db2.gz ITMNYIXIDBBYNS-MGPUTAFESA-N 0 0 413.905 4.810 50 0 HJAARN CCOc1ccc([C@H](CC(=O)N2CCOCC2)c2c[nH]c3ccc(Cl)cc32)cc1 ZINC000096276836 568715632 /nfs/dbraw/zinc/71/56/32/568715632.db2.gz VSGDZYWDIOZJLO-IBGZPJMESA-N 0 0 412.917 4.601 50 0 HJAARN CC(C)CNC(=O)c1cc2cc(NC(=O)C3CCC3)ccc2n1Cc1ccc(F)cc1 ZINC000096277664 568716116 /nfs/dbraw/zinc/71/61/16/568716116.db2.gz DUXMZAVTEFURRK-UHFFFAOYSA-N 0 0 421.516 4.953 50 0 HJAARN Cc1ccc(-c2noc(CCN(CCc3ccccc3)C(=O)c3ccccc3)n2)cc1 ZINC000096278790 568716994 /nfs/dbraw/zinc/71/69/94/568716994.db2.gz MTYVTNDKUJSLAQ-UHFFFAOYSA-N 0 0 411.505 4.973 50 0 HJAARN CCC1=NS(=O)(=O)c2cc(NC(=O)C3CCCC3)ccc2N1c1ccc(F)cc1 ZINC000096289761 568720154 /nfs/dbraw/zinc/72/01/54/568720154.db2.gz NMKHXEVOKURHTJ-UHFFFAOYSA-N 0 0 415.490 4.603 50 0 HJAARN COc1cccc(-c2noc(CCN(Cc3ccco3)C(=O)c3ccc(C)cc3)n2)c1 ZINC000096289883 568720171 /nfs/dbraw/zinc/72/01/71/568720171.db2.gz LKIJCNFWNKVMLW-UHFFFAOYSA-N 0 0 417.465 4.532 50 0 HJAARN COc1ccc(C(=O)N(CCc2nc(-c3cccc(C)c3)no2)Cc2ccco2)cc1 ZINC000096289890 568720189 /nfs/dbraw/zinc/72/01/89/568720189.db2.gz DSLBBOBJTLENSD-UHFFFAOYSA-N 0 0 417.465 4.532 50 0 HJAARN CC[C@@H](C)NC(=O)c1ccc(CSc2nnc(COC)n2-c2ccc(C)cc2)cc1 ZINC000096290743 568720340 /nfs/dbraw/zinc/72/03/40/568720340.db2.gz CGKFHHBDPPQDGJ-QGZVFWFLSA-N 0 0 424.570 4.543 50 0 HJAARN Cc1cccc(Cl)c1S(=O)(=O)Oc1cccc(CN(C(=O)C(C)C)C(C)C)c1 ZINC000096290473 568720369 /nfs/dbraw/zinc/72/03/69/568720369.db2.gz SQXHCMDRMLOMPW-UHFFFAOYSA-N 0 0 423.962 4.809 50 0 HJAARN CC[C@H](C(=O)NCCOC)n1c(Cc2ccccc2)nc2cc(Cl)c(Cl)cc21 ZINC000096291142 568720590 /nfs/dbraw/zinc/72/05/90/568720590.db2.gz MIHARURASHBKEN-GOSISDBHSA-N 0 0 420.340 4.648 50 0 HJAARN CCN1CCN(C(=O)c2c(C(C)C)nn(-c3cccc(Cl)c3)c2C(C)C)CC1 ZINC000096299833 568723113 /nfs/dbraw/zinc/72/31/13/568723113.db2.gz YSNOSAYEUSCVHN-UHFFFAOYSA-N 0 0 402.970 4.550 50 0 HJAARN Cc1ccc(O)c(NC(=O)c2cnn3c2N[C@@H](c2cccs2)C[C@H]3C(F)(F)F)c1 ZINC000000866499 568723536 /nfs/dbraw/zinc/72/35/36/568723536.db2.gz KCTYINFBWPAEHI-CJNGLKHVSA-N 0 0 422.432 4.871 50 0 HJAARN CC[C@H](C(=O)Nc1cc(-c2cn3nc(OC)ccc3n2)ccc1C)c1ccccc1 ZINC000012441192 568724051 /nfs/dbraw/zinc/72/40/51/568724051.db2.gz AMWMAEGCGOINFJ-IBGZPJMESA-N 0 0 400.482 4.846 50 0 HJAARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 ZINC000000867604 568724075 /nfs/dbraw/zinc/72/40/75/568724075.db2.gz GTCQGEOMEKZRJC-UHFFFAOYSA-N 0 0 420.494 4.657 50 0 HJAARN COc1cccc(-c2csc(-n3nc(C)cc3NC(=O)c3cccc(C)c3)n2)c1 ZINC000012442094 568724311 /nfs/dbraw/zinc/72/43/11/568724311.db2.gz DIAJFYAGOLIFFF-UHFFFAOYSA-N 0 0 404.495 4.874 50 0 HJAARN CCOc1ccc(CC(=O)Nc2cc(C)nn2-c2nc(-c3ccccc3)cs2)cc1 ZINC000012441755 568724315 /nfs/dbraw/zinc/72/43/15/568724315.db2.gz VEMSFOCAHATNMH-UHFFFAOYSA-N 0 0 418.522 4.884 50 0 HJAARN COc1cccc(C(=O)Nc2cc(C)nn2-c2nc(-c3ccccc3)cs2)c1OC ZINC000012441706 568724378 /nfs/dbraw/zinc/72/43/78/568724378.db2.gz FQWIOXGSNQRRTF-UHFFFAOYSA-N 0 0 420.494 4.574 50 0 HJAARN O=C(CSCc1nc2cccnc2n1C1CCCCC1)NCc1ccc(F)cc1 ZINC000021635051 568725370 /nfs/dbraw/zinc/72/53/70/568725370.db2.gz PWPIAKOARAVWQY-UHFFFAOYSA-N 0 0 412.534 4.625 50 0 HJAARN COc1ccc(OC)c(NC(=O)NCc2nc(-c3cccc(Cl)c3)oc2C)c1 ZINC000021635413 568725371 /nfs/dbraw/zinc/72/53/71/568725371.db2.gz ZZLLOSPAYKARJS-UHFFFAOYSA-N 0 0 401.850 4.642 50 0 HJAARN COc1ccc(-c2noc([C@@H](NC(=O)c3ccc(OC)c(Cl)c3)C(C)C)n2)cc1 ZINC000238937440 568727408 /nfs/dbraw/zinc/72/74/08/568727408.db2.gz VKQUSYDQBTWYEE-SFHVURJKSA-N 0 0 415.877 4.534 50 0 HJAARN C[C@@H]1CC[C@H]2C(=O)N(CNc3ccc(Oc4ccc5ccccc5c4)cc3)C(=O)[C@H]2C1 ZINC000239025601 568727769 /nfs/dbraw/zinc/72/77/69/568727769.db2.gz BWLZDFWYWRTESW-VEYWIMSWSA-N 0 0 414.505 5.423 50 0 HJAARN C[C@@H]1CC[C@@H]2C(=O)N(c3cc(Cl)ccc3OC(=O)c3cccs3)C(=O)[C@H]2C1 ZINC000239274680 568728589 /nfs/dbraw/zinc/72/85/89/568728589.db2.gz AOANUSUIVYYTNG-XBFCOCLRSA-N 0 0 403.887 4.546 50 0 HJAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccncc2)cc1OC ZINC000239296759 568728681 /nfs/dbraw/zinc/72/86/81/568728681.db2.gz DFYUZZZPOQYICT-CVDCTZTESA-N 0 0 421.884 4.995 50 0 HJAARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)Oc4ccc(C(C)(C)C)cc4)cc3)C(=O)[C@H]2C1 ZINC000239284718 568728708 /nfs/dbraw/zinc/72/87/08/568728708.db2.gz BYHYUGXAKARZAV-HVETUWLQSA-N 0 0 419.521 5.129 50 0 HJAARN COc1ccc(-c2noc(-c3ccc(CS(=O)(=O)c4ccc(C)cc4C)o3)n2)cc1 ZINC000096322725 568730779 /nfs/dbraw/zinc/73/07/79/568730779.db2.gz DTKHQZNRXSFYSB-UHFFFAOYSA-N 0 0 424.478 4.596 50 0 HJAARN Cc1cccc(-c2noc(-c3ccc(CS(=O)(=O)c4ccc(C)c(C)c4)o3)n2)c1 ZINC000096322707 568730822 /nfs/dbraw/zinc/73/08/22/568730822.db2.gz VZCGZEOYAWTKDR-UHFFFAOYSA-N 0 0 408.479 4.896 50 0 HJAARN Cc1cc(C)c(S(=O)(=O)Cc2ccc(-c3nc(-c4cccs4)no3)o2)cc1C ZINC000096322740 568730974 /nfs/dbraw/zinc/73/09/74/568730974.db2.gz NBUZWMSLLUIMLA-UHFFFAOYSA-N 0 0 414.508 4.957 50 0 HJAARN COc1cccc(-c2noc(-c3ccc(CS(=O)(=O)c4ccc(C)c(C)c4)o3)n2)c1 ZINC000096322804 568730977 /nfs/dbraw/zinc/73/09/77/568730977.db2.gz UGWAUHUTAINQIE-UHFFFAOYSA-N 0 0 424.478 4.596 50 0 HJAARN CCOc1ccc(NC(=O)C[C@@H]2COc3ccccc3N2Cc2ccccc2)cc1 ZINC000096322975 568731144 /nfs/dbraw/zinc/73/11/44/568731144.db2.gz PSAYHUZDGZXYMW-OAQYLSRUSA-N 0 0 402.494 4.882 50 0 HJAARN COc1ccc(NC(=O)C[C@H]2COc3cc(C)ccc3N2Cc2ccc(F)cc2)cc1 ZINC000096322999 568731160 /nfs/dbraw/zinc/73/11/60/568731160.db2.gz ICUVCLPJOFZIEU-NRFANRHFSA-N 0 0 420.484 4.939 50 0 HJAARN CSc1cccc(NC(=O)N2CCc3c(sc4nc(-c5ccccc5)nn34)C2)c1 ZINC000096323916 568733045 /nfs/dbraw/zinc/73/30/45/568733045.db2.gz ZVLLCHDXPWXZJR-UHFFFAOYSA-N 0 0 421.551 4.770 50 0 HJAARN COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2C)sc2c1CCCCC2 ZINC000000879606 568734960 /nfs/dbraw/zinc/73/49/60/568734960.db2.gz JIHYUULZXWQSFU-UHFFFAOYSA-N 0 0 407.919 4.783 50 0 HJAARN O=C(CN1CCc2ccccc2C1)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000021659292 568735208 /nfs/dbraw/zinc/73/52/08/568735208.db2.gz SRSANVRQZDCRKM-UHFFFAOYSA-N 0 0 420.516 4.807 50 0 HJAARN Cc1nn(-c2nc3ccccc3[nH]2)c2c1[C@H](c1ccccc1C(F)(F)F)CC(=O)N2 ZINC000021660732 568735622 /nfs/dbraw/zinc/73/56/22/568735622.db2.gz FWZAFXISILMSOT-ZDUSSCGKSA-N 0 0 411.387 4.550 50 0 HJAARN CCCc1nc2cc(CCC(=O)Nc3ccc(Br)c(F)c3)ccc2[nH]1 ZINC000096332879 568736376 /nfs/dbraw/zinc/73/63/76/568736376.db2.gz ALJSYPPJMUUJQF-UHFFFAOYSA-N 0 0 404.283 4.988 50 0 HJAARN O=C(NCCc1ccco1)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 ZINC000096344054 568737183 /nfs/dbraw/zinc/73/71/83/568737183.db2.gz QMKBDGWDXRRKEI-HSZRJFAPSA-N 0 0 420.553 4.823 50 0 HJAARN CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2cccc(F)c2)C12CCCC2 ZINC000096344497 568737309 /nfs/dbraw/zinc/73/73/09/568737309.db2.gz COVNTUZANXZVCP-QFIPXVFZSA-N 0 0 408.517 4.794 50 0 HJAARN Cc1ccc(C(=O)N(C)CCc2noc(-c3cc4cc(Cl)ccc4[nH]3)n2)c(C)c1 ZINC000096349886 568738475 /nfs/dbraw/zinc/73/84/75/568738475.db2.gz AQXNPMKLFYFEEU-UHFFFAOYSA-N 0 0 408.889 4.803 50 0 HJAARN CCN(CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1ccc(Cl)s1 ZINC000018936048 568742921 /nfs/dbraw/zinc/74/29/21/568742921.db2.gz LDQOHMOEPSROTK-UHFFFAOYSA-N 0 0 402.951 4.665 50 0 HJAARN COc1cccc(-c2cc(C3CCN(C(=O)Nc4cccc(F)c4C)CC3)[nH]n2)c1 ZINC000096386831 568743595 /nfs/dbraw/zinc/74/35/95/568743595.db2.gz HNVRELHBNRJREV-UHFFFAOYSA-N 0 0 408.477 4.944 50 0 HJAARN CSc1ccc(CNC(=O)Cc2c3[nH]cccc-3c(=O)n2-c2ccc(C)cc2)cc1 ZINC000096386983 568743737 /nfs/dbraw/zinc/74/37/37/568743737.db2.gz FDCMMRPSRSKBRY-NRFANRHFSA-N 0 0 417.534 4.520 50 0 HJAARN C[C@@H](NC(=O)Cc1c2[nH]cccc-2c(=O)n1-c1ccc(Cl)cc1)c1ccccc1 ZINC000096387107 568743876 /nfs/dbraw/zinc/74/38/76/568743876.db2.gz RLCRAMHOSTZQMM-FOIQADDNSA-N 0 0 405.885 4.704 50 0 HJAARN Cc1cc(C)n(Cc2nc(-c3ccc(NC(=O)c4ccccc4F)cc3)oc2C)n1 ZINC000096397312 568746207 /nfs/dbraw/zinc/74/62/07/568746207.db2.gz PONKGACDGOFRPT-UHFFFAOYSA-N 0 0 404.445 4.903 50 0 HJAARN CCOc1ccc(C(=O)Nc2cc(-c3cc4c(cccc4OC)n3CC)[nH]n2)cc1 ZINC000096398636 568747524 /nfs/dbraw/zinc/74/75/24/568747524.db2.gz JTHIMCHBWJUWRI-UHFFFAOYSA-N 0 0 404.470 4.711 50 0 HJAARN CCOc1ccc(-c2c(C)[nH]nc2NC(=O)COc2ccc(C)c(C)c2)cc1OCC ZINC000096399004 568747530 /nfs/dbraw/zinc/74/75/30/568747530.db2.gz NOPMPKRIMRJWNT-UHFFFAOYSA-N 0 0 423.513 4.817 50 0 HJAARN CCOc1ccc(-c2c(C)[nH]nc2NC(=O)COc2ccccc2C)cc1OCC ZINC000096399003 568747550 /nfs/dbraw/zinc/74/75/50/568747550.db2.gz VKUGGNVBWOTHIO-UHFFFAOYSA-N 0 0 409.486 4.508 50 0 HJAARN CCOc1ccccc1NC(=O)Nc1ccc2nc(S(=O)(=O)C(C)C)sc2c1 ZINC000096399684 568748935 /nfs/dbraw/zinc/74/89/35/568748935.db2.gz HAYOZVNNNQUVBN-UHFFFAOYSA-N 0 0 419.528 4.521 50 0 HJAARN CCOc1ccc(-c2c(C)[nH]nc2NC(=O)CCc2ccccc2OC)cc1OCC ZINC000096400561 568749806 /nfs/dbraw/zinc/74/98/06/568749806.db2.gz KLMZWEYRWFZORP-UHFFFAOYSA-N 0 0 423.513 4.762 50 0 HJAARN Cc1ccc(-c2nc(CN3CCC[C@H](C(=O)Nc4ccc(C)cc4Cl)C3)no2)cc1 ZINC000021724774 568751186 /nfs/dbraw/zinc/75/11/86/568751186.db2.gz WWMHXMZEEXCUOT-SFHVURJKSA-N 0 0 424.932 4.858 50 0 HJAARN Cc1ccc(-c2nc(CN3CCC[C@H](C(=O)Nc4ccc(C)cc4C)C3)no2)cc1 ZINC000021724632 568751222 /nfs/dbraw/zinc/75/12/22/568751222.db2.gz BHFXOYMMYKYMLV-FQEVSTJZSA-N 0 0 404.514 4.513 50 0 HJAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CN1CCCCCC1 ZINC000000937110 568751884 /nfs/dbraw/zinc/75/18/84/568751884.db2.gz MWLBRKMFJPTGRP-UHFFFAOYSA-N 0 0 400.544 4.715 50 0 HJAARN Cc1cccc(NC(=O)c2sc3nc(N4CCCC4)c4c(c3c2N)CCCC4)c1 ZINC000021790669 568752969 /nfs/dbraw/zinc/75/29/69/568752969.db2.gz YACYYOWIIYRHSL-UHFFFAOYSA-N 0 0 406.555 4.918 50 0 HJAARN COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]21C ZINC000253497499 568754146 /nfs/dbraw/zinc/75/41/46/568754146.db2.gz ZHUOOEGSSFNTNP-ATWODJQQSA-N 0 0 406.607 4.566 50 0 HJAARN COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000253497502 568754225 /nfs/dbraw/zinc/75/42/25/568754225.db2.gz ZHUOOEGSSFNTNP-KNEVFOCVSA-N 0 0 406.607 4.566 50 0 HJAARN Cc1ccccc1N1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000021811249 568754527 /nfs/dbraw/zinc/75/45/27/568754527.db2.gz WAFXSUWOEMBXPU-LAVPKYONSA-N 0 0 419.525 4.657 50 0 HJAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(C2CCCC2)C3=O)o1 ZINC000021811849 568754579 /nfs/dbraw/zinc/75/45/79/568754579.db2.gz YOTZGMQTZJXSSA-DEOSSOPVSA-N 0 0 411.546 4.539 50 0 HJAARN Cc1ccc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCCC(C)C)c(C)c1 ZINC000021858529 568755149 /nfs/dbraw/zinc/75/51/49/568755149.db2.gz GTBMTOYHAKFYKW-SANMLTNESA-N 0 0 417.553 4.840 50 0 HJAARN C[C@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccccc32)C(=O)N1C1CCCCC1 ZINC000021858267 568755152 /nfs/dbraw/zinc/75/51/52/568755152.db2.gz CBRBKQLOEKUWOM-AREMUKBSSA-N 0 0 415.537 4.505 50 0 HJAARN CC1CCC(NC(=O)[C@@]2(C)Cn3c(-c4ccco4)ccc3C(=O)N2C2CCCC2)CC1 ZINC000021863559 568755663 /nfs/dbraw/zinc/75/56/63/568755663.db2.gz JYSXEACPQFZMFB-ZQYQLRQTSA-N 0 0 423.557 4.600 50 0 HJAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1C1CCCC1 ZINC000021864519 568755712 /nfs/dbraw/zinc/75/57/12/568755712.db2.gz UNYDVMIWPVZBOZ-RUZDIDTESA-N 0 0 423.557 4.744 50 0 HJAARN COc1ccc(Nc2nc3c(cnn3C)c(Nc3ccc(Cl)cc3C)n2)c(OC)c1 ZINC000021873449 568756721 /nfs/dbraw/zinc/75/67/21/568756721.db2.gz BRLKDACSYNOMOH-UHFFFAOYSA-N 0 0 424.892 4.830 50 0 HJAARN CC1CCN(S(=O)(=O)c2ccc3nc(NC4CCCCCC4)ccc3c2)CC1 ZINC000021881930 568757320 /nfs/dbraw/zinc/75/73/20/568757320.db2.gz FZGZADOASABORA-UHFFFAOYSA-N 0 0 401.576 4.790 50 0 HJAARN Cc1cc(C(=O)CSc2ncnc3sc(C)c(C)c32)c(C)n1C[C@@H]1CCCO1 ZINC000000952428 568757383 /nfs/dbraw/zinc/75/73/83/568757383.db2.gz PRGTUXIRGQAURP-INIZCTEOSA-N 0 0 415.584 4.880 50 0 HJAARN Cc1c(Cl)c(Cl)nc(Cl)c1C(=O)NC(=O)NCc1ccccc1Cl ZINC000000969303 568758752 /nfs/dbraw/zinc/75/87/52/568758752.db2.gz WUMVUAQTLQLDKA-UHFFFAOYSA-N 0 0 407.084 4.643 50 0 HJAARN COCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccccc1Cl ZINC000021894000 568759946 /nfs/dbraw/zinc/75/99/46/568759946.db2.gz QWHUSROMGYKFAE-JOCHJYFZSA-N 0 0 409.917 4.782 50 0 HJAARN COc1ccc([C@@H]2C(=O)c3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cc1OC ZINC000000980137 568760319 /nfs/dbraw/zinc/76/03/19/568760319.db2.gz XRISBRYUSHBIJR-RPWUZVMVSA-N 0 0 404.462 4.833 50 0 HJAARN O=C(CSc1ncnc2ccsc21)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000022188209 568765107 /nfs/dbraw/zinc/76/51/07/568765107.db2.gz VIJKGYLXQNEKOC-UHFFFAOYSA-N 0 0 420.491 4.824 50 0 HJAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)/C=C\c1cccc2cccnc12 ZINC000096941199 568765543 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/nfs/dbraw/zinc/91/24/65/568912465.db2.gz BFFAFSIBCBEULT-UHFFFAOYSA-N 0 0 405.519 4.797 50 0 HJAARN Cc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3cc4cccc(C)c4nc3Cl)C2)cc1 ZINC000001299086 568912959 /nfs/dbraw/zinc/91/29/59/568912959.db2.gz VPLZGKOIDSFGDN-LJQANCHMSA-N 0 0 413.930 4.616 50 0 HJAARN COc1ccc(NC(=O)c2sc3nc(-c4cccc(OC)c4)ccc3c2N)cc1 ZINC000001305820 568913550 /nfs/dbraw/zinc/91/35/50/568913550.db2.gz VWTDTAZWTLDYMO-UHFFFAOYSA-N 0 0 405.479 4.815 50 0 HJAARN O=C(C[C@@]1(O)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O)c1ccccc1 ZINC000001320507 568914105 /nfs/dbraw/zinc/91/41/05/568914105.db2.gz KNMRAHSETZJVGI-HHHXNRCGSA-N 0 0 407.469 4.847 50 0 HJAARN CC(C)c1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000001320547 568914173 /nfs/dbraw/zinc/91/41/73/568914173.db2.gz HUXYKRFGSZAYEN-AREMUKBSSA-N 0 0 417.480 4.957 50 0 HJAARN COc1ccc(OC)c(CN(C(=O)c2ccc(C3SCCS3)cc2)C2CC2)c1 ZINC000025805960 568916723 /nfs/dbraw/zinc/91/67/23/568916723.db2.gz XZHADSDJJUXUSX-UHFFFAOYSA-N 0 0 415.580 4.987 50 0 HJAARN O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccc(Br)cc1 ZINC000012700248 568917028 /nfs/dbraw/zinc/91/70/28/568917028.db2.gz ZJWYZLAMRURVHF-UHFFFAOYSA-N 0 0 414.328 4.882 50 0 HJAARN O=C(Nc1ccc(-n2nncc2-c2ccccc2)cc1)c1ccc(Br)o1 ZINC000003582224 568917139 /nfs/dbraw/zinc/91/71/39/568917139.db2.gz YKYGZYPZYHBHAF-UHFFFAOYSA-N 0 0 409.243 4.542 50 0 HJAARN CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 ZINC000003602554 568919291 /nfs/dbraw/zinc/91/92/91/568919291.db2.gz ARSFMHNLJMONSV-CYBMUJFWSA-N 0 0 411.483 4.710 50 0 HJAARN CC(C)c1ccc(NC(=O)[C@H](c2ccccc2)N(CCO)Cc2ccccc2)cc1 ZINC000003614220 568920170 /nfs/dbraw/zinc/92/01/70/568920170.db2.gz WDBPHARKEUFSRI-VWLOTQADSA-N 0 0 402.538 4.984 50 0 HJAARN O=C1S/C(=C\c2cccc(F)c2)C(=O)N1CNc1ccccc1Br ZINC000334163096 568921574 /nfs/dbraw/zinc/92/15/74/568921574.db2.gz LMCQHXICKSOGSZ-DHDCSXOGSA-N 0 0 407.264 4.694 50 0 HJAARN O=S(=O)(N[C@H]1CCCC[C@@H]1Sc1nc2ccccc2o1)c1ccc(Cl)cc1 ZINC000003651244 568922585 /nfs/dbraw/zinc/92/25/85/568922585.db2.gz NKUWXLYFFBAEEK-WMZOPIPTSA-N 0 0 422.959 4.863 50 0 HJAARN COc1ccc2c(c1)-c1nc(NC(=O)c3ccc(Br)cc3)sc1CC2 ZINC000003651746 568922792 /nfs/dbraw/zinc/92/27/92/568922792.db2.gz KKDAAOKNEOFIOC-UHFFFAOYSA-N 0 0 415.312 4.932 50 0 HJAARN Cc1ccc(Sc2ccc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)o2)cc1 ZINC000003659052 568923255 /nfs/dbraw/zinc/92/32/55/568923255.db2.gz WOKKOWWSVFFIHL-XDHOZWIPSA-N 0 0 408.454 4.971 50 0 HJAARN CCOC(=O)c1ccc(NC(=S)N(Cc2ccccc2)Cc2cccnc2)cc1 ZINC000003662277 568923830 /nfs/dbraw/zinc/92/38/30/568923830.db2.gz HVANOUKKWBFGLZ-UHFFFAOYSA-N 0 0 405.523 4.658 50 0 HJAARN CC(C)c1ccc(-c2csc(NC(=O)CCNC(=O)Cc3ccccc3)n2)cc1 ZINC000012735796 568925232 /nfs/dbraw/zinc/92/52/32/568925232.db2.gz SPBGPGRBCLNETO-UHFFFAOYSA-N 0 0 407.539 4.621 50 0 HJAARN CC[C@@H](SCc1csc(-c2ccc(OC)cc2)n1)C(=O)Nc1cc(C)on1 ZINC000031413655 568925761 /nfs/dbraw/zinc/92/57/61/568925761.db2.gz VAJSPTLPRBYAMU-MRXNPFEDSA-N 0 0 403.529 4.766 50 0 HJAARN CCSc1nc2c(cnn2-c2ccccc2)c(Oc2ccsc2C(=O)OC)n1 ZINC000001403682 568927466 /nfs/dbraw/zinc/92/74/66/568927466.db2.gz STGPQXOAKJMRHC-UHFFFAOYSA-N 0 0 412.496 4.568 50 0 HJAARN CCOC(=O)c1c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2n2ccccc12 ZINC000001402606 568927512 /nfs/dbraw/zinc/92/75/12/568927512.db2.gz XRNTWJKIXURABO-UHFFFAOYSA-N 0 0 422.868 4.940 50 0 HJAARN CCc1cccc(CC)c1NC(=O)CSc1nc(CN(C)C)nc2ccccc21 ZINC000031619182 568928735 /nfs/dbraw/zinc/92/87/35/568928735.db2.gz ZGSCTOLLIKMHPO-UHFFFAOYSA-N 0 0 408.571 4.547 50 0 HJAARN CCCc1noc([C@@H](C)Sc2nc3sc(-c4ccccc4)cc3c(=O)n2C)n1 ZINC000031697141 568929295 /nfs/dbraw/zinc/92/92/95/568929295.db2.gz QRLYLKLHSJXPKO-GFCCVEGCSA-N 0 0 412.540 4.851 50 0 HJAARN CN(C)c1ncccc1C(=O)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1 ZINC000031714914 568929705 /nfs/dbraw/zinc/92/97/05/568929705.db2.gz SRUKIPJJZQTNNN-UHFFFAOYSA-N 0 0 407.424 4.812 50 0 HJAARN CC(C)(C)C(=O)NCc1ccc(C(=O)CSc2ccc(C(F)(F)F)cn2)s1 ZINC000031743348 568929958 /nfs/dbraw/zinc/92/99/58/568929958.db2.gz HFFIUCZLPRJWAH-UHFFFAOYSA-N 0 0 416.490 4.799 50 0 HJAARN Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3ccc4c(c3)OCCCO4)o2)cc1C ZINC000031773802 568930900 /nfs/dbraw/zinc/93/09/00/568930900.db2.gz GXWDVSFQHLWHPT-SFHVURJKSA-N 0 0 420.509 4.930 50 0 HJAARN CCOC(=O)c1sc2nc(C)nc(Oc3cnc(-c4ccccc4)nc3)c2c1C ZINC000031784821 568931154 /nfs/dbraw/zinc/93/11/54/568931154.db2.gz UISLXQYRUPJQNL-UHFFFAOYSA-N 0 0 406.467 4.734 50 0 HJAARN COc1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)ccc1OC(C)C ZINC000012746267 568931512 /nfs/dbraw/zinc/93/15/12/568931512.db2.gz OSENPJLHUVYYDX-IBGZPJMESA-N 0 0 411.498 4.621 50 0 HJAARN COc1cc(-c2nc3ccccn3c2Nc2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000001414414 568933506 /nfs/dbraw/zinc/93/35/06/568933506.db2.gz VEFCOMJWMITIST-UHFFFAOYSA-N 0 0 418.497 4.837 50 0 HJAARN COc1cccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@]32CCOC(C)(C)C2)c1 ZINC000004029774 568934427 /nfs/dbraw/zinc/93/44/27/568934427.db2.gz UFIMLKDNTIHZMN-GBXCKJPGSA-N 0 0 408.498 4.533 50 0 biogenic HJAARN COc1ccc(OC)c(CCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)c1 ZINC000025904005 568935117 /nfs/dbraw/zinc/93/51/17/568935117.db2.gz BPCXXSAHCRNRTJ-XMMPIXPASA-N 0 0 407.535 4.872 50 0 HJAARN Cc1cc([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c(C)o1 ZINC000084081621 568936175 /nfs/dbraw/zinc/93/61/75/568936175.db2.gz GWHIXRGSKCXAHQ-SGTLLEGYSA-N 0 0 409.313 4.685 50 0 HJAARN O=C(CSc1cn(Cc2ccc(Cl)cc2)c2ccccc12)NC[C@H]1CCCO1 ZINC000004060782 568937002 /nfs/dbraw/zinc/93/70/02/568937002.db2.gz MCALVEIYFVINBC-GOSISDBHSA-N 0 0 414.958 4.730 50 0 HJAARN CCOc1ccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)cc1 ZINC000004070433 568937723 /nfs/dbraw/zinc/93/77/23/568937723.db2.gz UGKXKNQOFNWREI-UHFFFAOYSA-N 0 0 404.289 4.619 50 0 HJAARN O=C(Nc1nnc(SCc2ccc(Br)cc2)s1)c1ccccc1 ZINC000004078267 568938844 /nfs/dbraw/zinc/93/88/44/568938844.db2.gz ZLWYFBIKXWLOGA-UHFFFAOYSA-N 0 0 406.330 4.845 50 0 HJAARN Cc1csc(N(C(=O)CCn2c(=O)oc3cc(Cl)ccc32)c2ccccc2)n1 ZINC000019201948 568939335 /nfs/dbraw/zinc/93/93/35/568939335.db2.gz PUOHLHNGMFZLRS-UHFFFAOYSA-N 0 0 413.886 4.768 50 0 HJAARN COc1ccc(-c2oc(=O)n(Cc3ccc(F)cc3)c2-c2ccc(OC)cc2)cc1 ZINC000001426942 568939360 /nfs/dbraw/zinc/93/93/60/568939360.db2.gz LKEWVTVCAHPESX-UHFFFAOYSA-N 0 0 405.425 4.980 50 0 HJAARN C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)c1ccccc1 ZINC000004084811 568939948 /nfs/dbraw/zinc/93/99/48/568939948.db2.gz SMBBHPVLMHSHPM-KXXXHFJOSA-N 0 0 421.500 4.515 50 0 biogenic HJAARN CCn1c(CNC(=O)C23CC4CC(CC(C4)C2)C3)nnc1SCc1cccc(C)c1 ZINC000004087481 568941056 /nfs/dbraw/zinc/94/10/56/568941056.db2.gz FTEQICQTQKKTTD-UHFFFAOYSA-N 0 0 424.614 4.731 50 0 HJAARN O=C(Nc1ccc2c(c1)nc1n2CCN(Cc2ccco2)C1)c1ccc(Cl)cc1 ZINC000001432710 568941392 /nfs/dbraw/zinc/94/13/92/568941392.db2.gz QAUYNCLKUHOJQL-UHFFFAOYSA-N 0 0 406.873 4.551 50 0 HJAARN O=S(=O)(N[C@H]1CCSc2ccccc21)c1ccc(Br)cc1Cl ZINC000012752367 568941732 /nfs/dbraw/zinc/94/17/32/568941732.db2.gz QTKKFAVWQLTFJM-ZDUSSCGKSA-N 0 0 418.765 4.618 50 0 HJAARN CCc1nc(SCc2ccoc2C(=O)OC)nc(N)c1-c1ccc(Cl)cc1 ZINC000012753952 568942083 /nfs/dbraw/zinc/94/20/83/568942083.db2.gz UHAHEBGBNWOCGI-UHFFFAOYSA-N 0 0 403.891 4.614 50 0 HJAARN OC1CCC(Nc2ncnc3scc(-c4ccc(Br)cc4)c32)CC1 ZINC000012755153 568942719 /nfs/dbraw/zinc/94/27/19/568942719.db2.gz ANXJGXLHQAYXSY-UHFFFAOYSA-N 0 0 404.333 4.836 50 0 HJAARN CCOc1ccc2nc(NC(=O)CCC(=O)O[C@@H]3CC[C@H](C)[C@H](C)C3)sc2c1 ZINC000004112023 568944089 /nfs/dbraw/zinc/94/40/89/568944089.db2.gz HPDUZEAHPLHGLC-SQWLQELKSA-N 0 0 404.532 4.782 50 0 HJAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccco2)c(OC)c1 ZINC000004115438 568944338 /nfs/dbraw/zinc/94/43/38/568944338.db2.gz STOSYUMRHHORSV-UHFFFAOYSA-N 0 0 406.394 4.548 50 0 HJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN=C1SCc1cccc(F)c1 ZINC000004119899 568944550 /nfs/dbraw/zinc/94/45/50/568944550.db2.gz GZCWSIHIUIEYOR-UHFFFAOYSA-N 0 0 406.910 4.768 50 0 HJAARN CC(C)(C)OC(=O)Nc1cccc(CSc2nncn2CCc2ccccn2)c1 ZINC000084240847 568944757 /nfs/dbraw/zinc/94/47/57/568944757.db2.gz SKQMABCTMLBJIL-UHFFFAOYSA-N 0 0 411.531 4.555 50 0 HJAARN Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1)[C@@H]1CCC[C@H](C)C1 ZINC000084235043 568945048 /nfs/dbraw/zinc/94/50/48/568945048.db2.gz QESMUMSYLVWZFD-YRISNDGFSA-N 0 0 422.573 4.705 50 0 HJAARN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2OC32CCCCC2)cc1OC ZINC000004146206 568946490 /nfs/dbraw/zinc/94/64/90/568946490.db2.gz GFJZCDCWXPQGNY-LJQANCHMSA-N 0 0 408.498 4.916 50 0 HJAARN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2OC32CCCCC2)cc1OC ZINC000004146209 568946533 /nfs/dbraw/zinc/94/65/33/568946533.db2.gz GFJZCDCWXPQGNY-IBGZPJMESA-N 0 0 408.498 4.916 50 0 HJAARN CC(=O)c1ccc(O[C@@H](C)C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000012762795 568946571 /nfs/dbraw/zinc/94/65/71/568946571.db2.gz LEIFJQIVSBTSQI-FUHWJXTLSA-N 0 0 408.523 4.672 50 0 HJAARN COc1cccc(CN(C)C(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)c1 ZINC000012762435 568946704 /nfs/dbraw/zinc/94/67/04/568946704.db2.gz MZPCVASYBDRLKL-UHFFFAOYSA-N 0 0 414.509 4.960 50 0 HJAARN O=[S@@](Cc1cccc(C(F)(F)F)c1)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000084364562 568947423 /nfs/dbraw/zinc/94/74/23/568947423.db2.gz AFUGHAIPVYKGFZ-AREMUKBSSA-N 0 0 404.837 4.969 50 0 HJAARN COc1ccc(CC(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2)cc1 ZINC000004162446 568947410 /nfs/dbraw/zinc/94/74/10/568947410.db2.gz SVTIONMXZGUIMF-UHFFFAOYSA-N 0 0 400.434 4.875 50 0 HJAARN CC(=O)c1c(C)nc(-c2ccco2)nc1S[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000012765609 568948244 /nfs/dbraw/zinc/94/82/44/568948244.db2.gz LNJXYQVZZRFYNU-MRXNPFEDSA-N 0 0 409.511 4.984 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)CN1CCc2sccc2[C@H]1c1ccccc1 ZINC000012767802 568949599 /nfs/dbraw/zinc/94/95/99/568949599.db2.gz XHWLQSDUJINAHZ-JOCHJYFZSA-N 0 0 412.942 4.996 50 0 HJAARN COC(=O)c1ccc(CSc2nnc(Cc3ccccc3)n2-c2cccc(C)c2)o1 ZINC000004187231 568950025 /nfs/dbraw/zinc/95/00/25/568950025.db2.gz HNAXZHVABOJBPG-UHFFFAOYSA-N 0 0 419.506 4.838 50 0 HJAARN COC(=O)c1ccc(CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)o1 ZINC000004209082 568951729 /nfs/dbraw/zinc/95/17/29/568951729.db2.gz QOMWPSUISPDEHE-UHFFFAOYSA-N 0 0 409.442 4.745 50 0 HJAARN Nc1c(Cl)cc(NC(=O)Cn2c3ccccc3nc2SC(F)F)cc1Cl ZINC000084600212 568952165 /nfs/dbraw/zinc/95/21/65/568952165.db2.gz RIJCGWQQXVBNIX-UHFFFAOYSA-N 0 0 417.268 4.879 50 0 HJAARN CCCCN1c2ccc(NC(=O)c3cc4ccccc4oc3=O)c3cccc(c23)C1=O ZINC000004224119 568952531 /nfs/dbraw/zinc/95/25/31/568952531.db2.gz LLJKQUUNPJGEGW-UHFFFAOYSA-N 0 0 412.445 4.959 50 0 HJAARN CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)CCc1nc(-c2ccco2)no1 ZINC000012773834 568952980 /nfs/dbraw/zinc/95/29/80/568952980.db2.gz ZYFYJSMWYQTATC-UHFFFAOYSA-N 0 0 422.407 4.766 50 0 HJAARN O=C(Nc1nc2c(s1)CCCC2)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000012773676 568953225 /nfs/dbraw/zinc/95/32/25/568953225.db2.gz RJPFKCKMNCTIIQ-UHFFFAOYSA-N 0 0 410.396 4.618 50 0 HJAARN COc1ccc(NC(=O)c2cc(C(C)C)nc3ccccc32)c(Br)n1 ZINC000084622439 568953510 /nfs/dbraw/zinc/95/35/10/568953510.db2.gz ASELCXHNDDWISP-UHFFFAOYSA-N 0 0 400.276 4.777 50 0 HJAARN COc1ccccc1-n1ccnc1SCC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000004248666 568953822 /nfs/dbraw/zinc/95/38/22/568953822.db2.gz BMDQFEQWNHFRFV-UHFFFAOYSA-N 0 0 407.417 4.631 50 0 HJAARN O=S(=O)(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1ccc2ccccc2c1 ZINC000004249145 568954158 /nfs/dbraw/zinc/95/41/58/568954158.db2.gz FPVFGRJPQJCJTO-UHFFFAOYSA-N 0 0 407.520 4.610 50 0 HJAARN Cc1ccc(-c2csc3ncn(Cc4nc(-c5ccccc5)no4)c(=O)c23)cc1C ZINC000012776412 568954952 /nfs/dbraw/zinc/95/49/52/568954952.db2.gz LVUDKGIECHWPME-UHFFFAOYSA-N 0 0 414.490 4.840 50 0 HJAARN C[C@@H]1CN(Cc2ccccc2)c2ccccc2N(C(=O)CCCNC(=O)C(C)(C)C)C1 ZINC000084715211 568957095 /nfs/dbraw/zinc/95/70/95/568957095.db2.gz DMZFTYSJNCYSAT-HXUWFJFHSA-N 0 0 421.585 4.618 50 0 HJAARN O=C(CCOc1ccccc1)N(Cc1cccnc1)c1nc2c(cccc2F)s1 ZINC000004273256 568957628 /nfs/dbraw/zinc/95/76/28/568957628.db2.gz HUZXHYJUDMLLDY-UHFFFAOYSA-N 0 0 407.470 4.833 50 0 HJAARN O=C(COc1ccccc1)N(Cc1cccnc1)c1nc2c(cc(F)cc2F)s1 ZINC000004273317 568957815 /nfs/dbraw/zinc/95/78/15/568957815.db2.gz AJJRMLUAQILCEO-UHFFFAOYSA-N 0 0 411.433 4.582 50 0 HJAARN CCOc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c2ccccc12 ZINC000004286299 568959241 /nfs/dbraw/zinc/95/92/41/568959241.db2.gz WNJUYMGNLUTDNE-UHFFFAOYSA-N 0 0 409.551 4.882 50 0 HJAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCS[C@H](c2ccccc2F)CC1 ZINC000219155848 568959646 /nfs/dbraw/zinc/95/96/46/568959646.db2.gz IIQZYQVXDNUENA-KRWDZBQOSA-N 0 0 419.465 4.713 50 0 HJAARN CC[C@@H](C)c1ccc(-c2csc(NC(=O)CCc3c(C)nc(C)[nH]c3=O)n2)cc1 ZINC000012785189 568959713 /nfs/dbraw/zinc/95/97/13/568959713.db2.gz DSJOLLRNGCAYAV-CYBMUJFWSA-N 0 0 410.543 4.595 50 0 HJAARN CCOc1ccc(OCCC(=O)OCC(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000007975656 568960086 /nfs/dbraw/zinc/96/00/86/568960086.db2.gz OPZCPSGIBNWZRC-UHFFFAOYSA-N 0 0 419.477 4.703 50 0 HJAARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)c5c(C)nn(C(C)=O)c5C[C@H]4[C@H]3CC[C@H]2C1 ZINC000229846529 568960303 /nfs/dbraw/zinc/96/03/03/568960303.db2.gz DLCTVKXJNPOKCT-BUWXJUFWSA-N 0 0 412.574 4.840 50 0 biogenic HJAARN COc1ccc(Cl)cc1C(=O)NC[C@@H](c1cccs1)N1CCc2ccccc21 ZINC000004305556 568960304 /nfs/dbraw/zinc/96/03/04/568960304.db2.gz FTUACGDCRSMWLS-IBGZPJMESA-N 0 0 412.942 4.944 50 0 HJAARN COc1cc(C)ccc1OCCSc1nnc(COc2ccc(Cl)cc2)o1 ZINC000015670046 568961246 /nfs/dbraw/zinc/96/12/46/568961246.db2.gz ILXKABUJWDZMEM-UHFFFAOYSA-N 0 0 406.891 4.790 50 0 HJAARN CCN1c2cc(NC(=O)NCc3cccnc3)ccc2Sc2ccccc2C1=O ZINC000015671862 568962431 /nfs/dbraw/zinc/96/24/31/568962431.db2.gz OTRMPGQWNNWYKI-UHFFFAOYSA-N 0 0 404.495 4.535 50 0 HJAARN COc1ccc(-c2nc(NC(=O)[C@H](NC(=O)c3ccccc3)C(C)C)sc2C)cc1 ZINC000007980734 568963523 /nfs/dbraw/zinc/96/35/23/568963523.db2.gz YPSWYFJEOGVFNL-LJQANCHMSA-N 0 0 423.538 4.520 50 0 HJAARN O=C(Nc1ccc(Br)cc1)c1cccc(OC(=S)N2CCCCC2)c1 ZINC000001437754 568964616 /nfs/dbraw/zinc/96/46/16/568964616.db2.gz CFKYDSWIQSJODI-UHFFFAOYSA-N 0 0 419.344 4.851 50 0 HJAARN CCOC(=O)c1ccccc1NC(=O)c1nc(-c2cccc(F)c2)n2c1CCCCC2 ZINC000015679102 568966609 /nfs/dbraw/zinc/96/66/09/568966609.db2.gz XBUKPVVTBXTJQT-UHFFFAOYSA-N 0 0 421.472 4.845 50 0 HJAARN O=S(=O)(N[C@H]1CCSc2ccccc21)c1ccc(Cl)cc1C(F)(F)F ZINC000007990494 568966779 /nfs/dbraw/zinc/96/67/79/568966779.db2.gz CAXDCMRKPKZUIG-ZDUSSCGKSA-N 0 0 407.866 4.874 50 0 HJAARN COc1cc(NC(=O)c2c(C)nn(-c3ccc(C)cc3)c2-n2cccc2)cc(OC)c1 ZINC000015681386 568967977 /nfs/dbraw/zinc/96/79/77/568967977.db2.gz CCJTXJIYLSCDPU-UHFFFAOYSA-N 0 0 416.481 4.549 50 0 HJAARN COc1ccc(NC(=O)c2c(C)nn(-c3ccc(C)cc3)c2-n2cccc2)cc1OC ZINC000015681379 568967981 /nfs/dbraw/zinc/96/79/81/568967981.db2.gz ZKJZVPZKPOXYJN-UHFFFAOYSA-N 0 0 416.481 4.549 50 0 HJAARN CC(C)[C@H](NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)c1nc2ccccc2[nH]1 ZINC000008013503 568968517 /nfs/dbraw/zinc/96/85/17/568968517.db2.gz BSCBUWLXMHGNNQ-NRFANRHFSA-N 0 0 416.529 4.893 50 0 HJAARN Cc1ccc(C)c(C(=O)CCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000008024516 568969035 /nfs/dbraw/zinc/96/90/35/568969035.db2.gz WCYWJDMMUDXQJO-UHFFFAOYSA-N 0 0 418.459 4.634 50 0 HJAARN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2ccccc2Cl)c1 ZINC000012793764 568969311 /nfs/dbraw/zinc/96/93/11/568969311.db2.gz YLFBCJPVCULMRY-UHFFFAOYSA-N 0 0 400.935 4.618 50 0 HJAARN O=C(Nc1cccc(CO)c1)c1cn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000008032092 568969442 /nfs/dbraw/zinc/96/94/42/568969442.db2.gz GYEZNLJPRNNPHH-UHFFFAOYSA-N 0 0 417.896 4.996 50 0 HJAARN O=C(c1ccc(-n2cccn2)cc1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000008036944 568969948 /nfs/dbraw/zinc/96/99/48/568969948.db2.gz QWFFAMOIPCPXOI-UHFFFAOYSA-N 0 0 417.490 4.552 50 0 HJAARN O=C(Nc1cccc(CO)c1)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 ZINC000008039243 568970123 /nfs/dbraw/zinc/97/01/23/568970123.db2.gz PSSGCTAWZBSYCF-UHFFFAOYSA-N 0 0 403.869 4.937 50 0 HJAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000008039881 568970349 /nfs/dbraw/zinc/97/03/49/568970349.db2.gz YHWRBLIFNWRYFG-QGZVFWFLSA-N 0 0 422.916 4.515 50 0 HJAARN Cc1cc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)no1 ZINC000008130700 568975299 /nfs/dbraw/zinc/97/52/99/568975299.db2.gz UCNXDNKRXKBXNM-UHFFFAOYSA-N 0 0 417.922 4.741 50 0 HJAARN Clc1ccccc1OCc1nnc(SC[C@@H]2CCCO2)n1-c1ccccc1 ZINC000008132151 568975836 /nfs/dbraw/zinc/97/58/36/568975836.db2.gz MVHNZSFSSCKPJL-INIZCTEOSA-N 0 0 401.919 4.771 50 0 HJAARN Cc1ccc(CNC(=O)C[C@@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)cc1 ZINC000015721031 568976510 /nfs/dbraw/zinc/97/65/10/568976510.db2.gz DCXAGXANWQHAOF-QHCPKHFHSA-N 0 0 402.469 4.538 50 0 HJAARN COc1ccc(NC(=O)C[C@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)cc1 ZINC000015720952 568976563 /nfs/dbraw/zinc/97/65/63/568976563.db2.gz PABFROXCSKNURY-JOCHJYFZSA-N 0 0 404.441 4.560 50 0 HJAARN CCOc1ccccc1NC(=O)C[C@H](c1cccs1)N1Cc2ccccc2C1=O ZINC000015721195 568976732 /nfs/dbraw/zinc/97/67/32/568976732.db2.gz IRASWVPQXKAKPW-LJQANCHMSA-N 0 0 406.507 4.873 50 0 HJAARN O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)c1ccccc1Br ZINC000004305089 568976874 /nfs/dbraw/zinc/97/68/74/568976874.db2.gz PPPVZDDNONISST-IBGZPJMESA-N 0 0 411.299 4.576 50 0 HJAARN COc1ccc([C@@H]2CCCN2Cn2nc(C)n(Cc3ccccc3)c2=S)c(OC)c1 ZINC000008151261 568977466 /nfs/dbraw/zinc/97/74/66/568977466.db2.gz BNVVEVWIQWOYLW-NRFANRHFSA-N 0 0 424.570 4.583 50 0 HJAARN O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012802184 568979040 /nfs/dbraw/zinc/97/90/40/568979040.db2.gz HJHVGCKJPIMUSD-VQHVLOKHSA-N 0 0 417.336 4.562 50 0 HJAARN COc1cc(NC(=O)CN(C)[C@@H](C)c2nc3ccccc3s2)c(OC)cc1Cl ZINC000012809335 568980721 /nfs/dbraw/zinc/98/07/21/568980721.db2.gz KHDRTALMPJWVRG-LBPRGKRZSA-N 0 0 419.934 4.598 50 0 HJAARN C[C@@H](c1nnc(SCCOc2cccc(Cl)c2)n1-c1ccc(F)cc1)N(C)C ZINC000008192806 568981615 /nfs/dbraw/zinc/98/16/15/568981615.db2.gz OXGBVWKQDVGPGQ-AWEZNQCLSA-N 0 0 420.941 4.854 50 0 HJAARN O=C(COc1ccccc1-c1nnc(-c2ccccc2)o1)NCc1cccc(Cl)c1 ZINC000015732086 568982016 /nfs/dbraw/zinc/98/20/16/568982016.db2.gz GTWALCLBWAGVDO-UHFFFAOYSA-N 0 0 419.868 4.752 50 0 HJAARN Cc1sc2nc(CN3CCC(C)CC3)nc(Sc3nnc(C4CC4)o3)c2c1C ZINC000008198747 568982254 /nfs/dbraw/zinc/98/22/54/568982254.db2.gz GWXYENPPVOFJCD-UHFFFAOYSA-N 0 0 415.588 4.952 50 0 HJAARN CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2c(F)cccc2Cl)NC(=S)N1 ZINC000006046816 568982518 /nfs/dbraw/zinc/98/25/18/568982518.db2.gz GNPGHBRKPYVROK-INIZCTEOSA-N 0 0 410.301 4.564 50 0 HJAARN Cc1cc(C)c(NC(=O)CN(C)Cc2ccc(C(=O)Nc3ccccc3)cc2)c(C)c1 ZINC000008203344 568982566 /nfs/dbraw/zinc/98/25/66/568982566.db2.gz FDJWKSWBEAKIGV-UHFFFAOYSA-N 0 0 415.537 4.935 50 0 HJAARN CCCCCc1ccc(C(=O)CCC(=O)OCC(=O)Nc2cccc(OC)c2)cc1 ZINC000006048245 568983264 /nfs/dbraw/zinc/98/32/64/568983264.db2.gz DRLBDFQRRLHODF-UHFFFAOYSA-N 0 0 411.498 4.573 50 0 HJAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)o2)cc1OC ZINC000008231738 568984275 /nfs/dbraw/zinc/98/42/75/568984275.db2.gz RWBYIRMEBBBUDP-UHFFFAOYSA-N 0 0 413.499 4.608 50 0 HJAARN COCCCNC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1C(C)C)CCCC3 ZINC000015735645 568984390 /nfs/dbraw/zinc/98/43/90/568984390.db2.gz HGBIVLPXLZLDHU-FQEVSTJZSA-N 0 0 401.576 4.676 50 0 HJAARN CCCN(Cc1nnc(-c2ccco2)o1)[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000008242417 568984903 /nfs/dbraw/zinc/98/49/03/568984903.db2.gz LPMOGBWGDLAORI-INIZCTEOSA-N 0 0 404.470 4.722 50 0 HJAARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccccc1)c2=O ZINC000001448016 568985318 /nfs/dbraw/zinc/98/53/18/568985318.db2.gz HMBWYYWSDSVQSA-GFCCVEGCSA-N 0 0 406.356 4.809 50 0 biogenic HJAARN COC(=O)c1ccc(Oc2coc3cc(OC(=O)c4cccs4)ccc3c2=O)cc1 ZINC000001448092 568985382 /nfs/dbraw/zinc/98/53/82/568985382.db2.gz PWWOTYTVTGPETK-UHFFFAOYSA-N 0 0 422.414 4.653 50 0 HJAARN O=C(NCc1ccccc1Cl)c1ccc(C(=O)NCc2ccccc2Cl)cc1 ZINC000008267770 568986108 /nfs/dbraw/zinc/98/61/08/568986108.db2.gz VXSJPHVAKOFBIY-UHFFFAOYSA-N 0 0 413.304 4.853 50 0 HJAARN Cc1noc(C)c1COc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1 ZINC000025981560 568986576 /nfs/dbraw/zinc/98/65/76/568986576.db2.gz WKHOLDSSOGEONW-UHFFFAOYSA-N 0 0 404.388 4.819 50 0 HJAARN CCc1cc(C(=O)NC[C@@H]2CCC[C@@H](CNC(=O)c3csc(CC)c3)C2)cs1 ZINC000001457174 568987037 /nfs/dbraw/zinc/98/70/37/568987037.db2.gz ONULHSRVKMKOGU-HZPDHXFCSA-N 0 0 418.628 4.901 50 0 HJAARN Cc1cc(OCc2nc(S[C@H](C)C(=O)NCC3CCCCC3)n[nH]2)ccc1Cl ZINC000008277726 568987140 /nfs/dbraw/zinc/98/71/40/568987140.db2.gz BOYHAFJHTDRQQU-CQSZACIVSA-N 0 0 422.982 4.523 50 0 HJAARN COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2C)cc1 ZINC000001458675 568987287 /nfs/dbraw/zinc/98/72/87/568987287.db2.gz DFZRFMBKFIJETN-UHFFFAOYSA-N 0 0 415.445 4.998 50 0 HJAARN CSCc1nc2ccccc2n1CC(=O)Nc1ccc(Br)c(C)c1 ZINC000008281416 568987545 /nfs/dbraw/zinc/98/75/45/568987545.db2.gz IVKLXHRTPPJBGG-UHFFFAOYSA-N 0 0 404.333 4.609 50 0 HJAARN O=C(c1nnn(-c2ccc(Br)cc2)c1Cc1ccccc1)c1ccccc1 ZINC000085420821 568987604 /nfs/dbraw/zinc/98/76/04/568987604.db2.gz RZUOYYWJRWDWCJ-UHFFFAOYSA-N 0 0 418.294 4.852 50 0 HJAARN COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccc(C)s2)cs1 ZINC000006052196 568988088 /nfs/dbraw/zinc/98/80/88/568988088.db2.gz UBXZYDWXQDFZAD-UHFFFAOYSA-N 0 0 402.497 4.563 50 0 HJAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Nc2cccc(Cl)c2)c1 ZINC000006052648 568988309 /nfs/dbraw/zinc/98/83/09/568988309.db2.gz KNWQPCKPTPNUPF-UHFFFAOYSA-N 0 0 415.902 4.809 50 0 HJAARN Cc1ccc(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c(Cl)c1 ZINC000008310334 568988497 /nfs/dbraw/zinc/98/84/97/568988497.db2.gz QBLGLAHFWSZKOP-LJQANCHMSA-N 0 0 400.906 4.585 50 0 HJAARN CCc1cccc(CC)c1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008310332 568988557 /nfs/dbraw/zinc/98/85/57/568988557.db2.gz BOVNIOLDXOTXHD-OAQYLSRUSA-N 0 0 408.542 4.748 50 0 HJAARN C[C@@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000006053950 568988602 /nfs/dbraw/zinc/98/86/02/568988602.db2.gz YIKYHNKBZOIFAO-OAHLLOKOSA-N 0 0 413.926 4.902 50 0 HJAARN O=C(OCc1cc(=O)n2c3ccccc3sc2n1)c1cc2c(s1)CCCCC2 ZINC000006053980 568988670 /nfs/dbraw/zinc/98/86/70/568988670.db2.gz AZUJNQLMZLEMJR-UHFFFAOYSA-N 0 0 410.520 4.597 50 0 HJAARN C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)NC[C@H]1CCCO1 ZINC000008312067 568988956 /nfs/dbraw/zinc/98/89/56/568988956.db2.gz AIJWXHLVZOQZDO-QFBILLFUSA-N 0 0 408.523 4.784 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(Cc1ccco1)Cc1cccs1 ZINC000008313476 568989463 /nfs/dbraw/zinc/98/94/63/568989463.db2.gz UOSDKMQNSARYAI-UHFFFAOYSA-N 0 0 420.538 4.785 50 0 HJAARN O=C(Nc1ccc(Oc2ccccc2Cl)cc1)c1cc2c([nH]c1=O)CCCC2=O ZINC000026016158 568994474 /nfs/dbraw/zinc/99/44/74/568994474.db2.gz DJZCGRMHODQURI-UHFFFAOYSA-N 0 0 408.841 4.592 50 0 HJAARN O=C(NCCSCc1ccccc1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000008348679 568994924 /nfs/dbraw/zinc/99/49/24/568994924.db2.gz XLFBJFDBQCXUMN-UHFFFAOYSA-N 0 0 414.534 4.598 50 0 HJAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)Cc4ccccc4)cc3)nn2)c(C)c1C ZINC000013009772 568995530 /nfs/dbraw/zinc/99/55/30/568995530.db2.gz ZGVIYBFHBVRTEA-UHFFFAOYSA-N 0 0 412.497 4.512 50 0 HJAARN C[C@@H](NC(=O)C1CCN(c2nc3cccnc3s2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000015770173 568997459 /nfs/dbraw/zinc/99/74/59/568997459.db2.gz CBWLTHCUKHXYMQ-LJQCHSNASA-N 0 0 424.614 4.629 50 0 HJAARN COc1ccc(C(C)=O)cc1Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O ZINC000006087447 568998349 /nfs/dbraw/zinc/99/83/49/568998349.db2.gz NTMXPIZVIZOSSF-UHFFFAOYSA-N 0 0 404.491 4.693 50 0 HJAARN COc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1OC ZINC000008395239 568999410 /nfs/dbraw/zinc/99/94/10/568999410.db2.gz BBNXBOCBLOWQSY-UHFFFAOYSA-N 0 0 419.506 4.929 50 0 HJAARN CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CN1CCCCC1 ZINC000008428660 569002425 /nfs/dbraw/zinc/00/24/25/569002425.db2.gz WZDZSOHQGIEMCS-UHFFFAOYSA-N 0 0 406.935 4.670 50 0 HJAARN COc1ccc(-c2nc3ccccc3c(NCCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000015781552 569002780 /nfs/dbraw/zinc/00/27/80/569002780.db2.gz MONCFVXIKIRUKY-UHFFFAOYSA-N 0 0 415.493 4.977 50 0 HJAARN CC(=O)NCc1ccc(C(=O)CSc2nccn2-c2ccccc2C(C)C)s1 ZINC000026048157 569003131 /nfs/dbraw/zinc/00/31/31/569003131.db2.gz NTPZJLLXBGZOHE-UHFFFAOYSA-N 0 0 413.568 4.668 50 0 HJAARN CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cc(OC)c(Br)c(OC)c1 ZINC000012822479 569006531 /nfs/dbraw/zinc/00/65/31/569006531.db2.gz CPHSLDPIMKYKDL-CQSZACIVSA-N 0 0 406.320 4.907 50 0 HJAARN COc1ccc(NC(=O)C[C@]2(C)NN=C(c3cccc4ccccc43)S2)c(OC)c1 ZINC000149911391 569009401 /nfs/dbraw/zinc/00/94/01/569009401.db2.gz CNNNNMUYRYBMHC-HSZRJFAPSA-N 0 0 421.522 4.600 50 0 HJAARN C[C@@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000006121071 569009588 /nfs/dbraw/zinc/00/95/88/569009588.db2.gz MMZPEHFAHGQYLY-XTZCOPOCSA-N 0 0 414.383 4.837 50 0 HJAARN O=C(Nc1ccccc1Cl)N1CCN(c2nc3cc(F)ccc3n3cccc23)CC1 ZINC000015821838 569010685 /nfs/dbraw/zinc/01/06/85/569010685.db2.gz BDHXGMWCURWZKO-UHFFFAOYSA-N 0 0 423.879 4.634 50 0 HJAARN Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)n1 ZINC000015824985 569011357 /nfs/dbraw/zinc/01/13/57/569011357.db2.gz NZDHCLPUTRNHOT-UHFFFAOYSA-N 0 0 422.920 4.536 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)CSc1nccn1Cc1ccccc1Cl ZINC000015825566 569011378 /nfs/dbraw/zinc/01/13/78/569011378.db2.gz PSKJNRSADONXGK-UHFFFAOYSA-N 0 0 422.337 4.978 50 0 HJAARN CSc1ccccc1NC(=O)CN(C)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000012864317 569012010 /nfs/dbraw/zinc/01/20/10/569012010.db2.gz QKBSJSQCEPIPBU-UHFFFAOYSA-N 0 0 401.919 4.787 50 0 HJAARN COc1ccc(C2=NN(c3nc(C)cs3)[C@@H](c3ccc(OC)c(OC)c3)C2)cc1 ZINC000015830444 569012026 /nfs/dbraw/zinc/01/20/26/569012026.db2.gz FDUQRUJCGJQYHH-LJQANCHMSA-N 0 0 409.511 4.833 50 0 HJAARN CCOC(=O)c1c(C(=O)OCC)c2c3ccccc3ccn2c1C(=O)c1ccccc1 ZINC000001100694 569012581 /nfs/dbraw/zinc/01/25/81/569012581.db2.gz FNCAOKYHFMEZPI-UHFFFAOYSA-N 0 0 415.445 4.677 50 0 HJAARN C[Si](C)(c1ccccc1)c1ccc(-c2ccc([Si](C)(C)c3ccccc3)cc2)cc1 ZINC000169816797 569013249 /nfs/dbraw/zinc/01/32/49/569013249.db2.gz WMSAQZFYMMQUCP-UHFFFAOYSA-N 0 0 422.720 4.999 50 0 HJAARN c1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000169810871 569013275 /nfs/dbraw/zinc/01/32/75/569013275.db2.gz KIKBAQXCRQQWGH-UHFFFAOYSA-N 0 0 412.608 4.731 50 0 HJAARN CC[C@@H](OC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1)C(=O)Nc1ccc(F)cc1 ZINC000012872012 569013367 /nfs/dbraw/zinc/01/33/67/569013367.db2.gz DZRJBVXSDGBLFQ-LJQANCHMSA-N 0 0 409.413 4.862 50 0 HJAARN CCOC(=O)c1ccc(Oc2nc(CN3CCCC3)nc3sc(C)c(C)c32)cc1 ZINC000012873815 569013489 /nfs/dbraw/zinc/01/34/89/569013489.db2.gz KKHRMYBLVDYGAF-UHFFFAOYSA-N 0 0 411.527 4.873 50 0 HJAARN COc1cc(C2N=NC(=S)N2c2cc(Cl)cc(Cl)c2)cc(OC)c1OC ZINC000006136339 569014199 /nfs/dbraw/zinc/01/41/99/569014199.db2.gz QWYSIUNGQLHMNG-UHFFFAOYSA-N 0 0 412.298 4.556 50 0 HJAARN Cc1oc2ccc(NS(=O)(=O)c3ccccc3)cc2c1C(=O)Nc1ccccc1 ZINC000006146532 569014500 /nfs/dbraw/zinc/01/45/00/569014500.db2.gz HOAMHXBWMBYTTE-UHFFFAOYSA-N 0 0 406.463 4.794 50 0 HJAARN COC(=O)c1cc(-c2ccccc2)sc1NC(=S)NCc1ccc(OC)cc1 ZINC000006145754 569014595 /nfs/dbraw/zinc/01/45/95/569014595.db2.gz CLLWGAYUJLGZOI-UHFFFAOYSA-N 0 0 412.536 4.697 50 0 HJAARN Cn1c(SCC(=O)NC2CCCCCC2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000006148217 569014818 /nfs/dbraw/zinc/01/48/18/569014818.db2.gz SUORYMAGOWVFRA-UHFFFAOYSA-N 0 0 400.592 4.711 50 0 HJAARN CCCC(=O)Nc1nc2ccc(CCC(=O)NCc3ccc(CC)cc3)cc2s1 ZINC000015861859 569015502 /nfs/dbraw/zinc/01/55/02/569015502.db2.gz XTHTVKOIUHFNCE-UHFFFAOYSA-N 0 0 409.555 4.846 50 0 HJAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccccc2)C(=O)c2ccc(OC)cc2)c1C ZINC000015862464 569015873 /nfs/dbraw/zinc/01/58/73/569015873.db2.gz QRKFDVDHFCQXOP-UHFFFAOYSA-N 0 0 420.509 4.659 50 0 HJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1NC(=O)c1cc2ccccc2oc1=O ZINC000015864052 569016376 /nfs/dbraw/zinc/01/63/76/569016376.db2.gz QMCCKBWGXVGKOF-UHFFFAOYSA-N 0 0 407.451 4.733 50 0 HJAARN Cc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3ccc(C)cc3n2)cc1 ZINC000015865435 569016610 /nfs/dbraw/zinc/01/66/10/569016610.db2.gz ZBHOHDBPUVCSSU-UHFFFAOYSA-N 0 0 414.465 4.534 50 0 HJAARN Cc1ccccc1NC(=O)Nc1ccccc1OCc1cc(=O)n2cccc(C)c2n1 ZINC000015865412 569016611 /nfs/dbraw/zinc/01/66/11/569016611.db2.gz BPZLEKIHOWFMKA-UHFFFAOYSA-N 0 0 414.465 4.534 50 0 HJAARN Cc1ccc(C(=O)NCc2ccc(C(=O)Nc3ccc(Br)cc3)o2)cc1 ZINC000015868126 569016978 /nfs/dbraw/zinc/01/69/78/569016978.db2.gz RRXFUSCKCBKJJI-UHFFFAOYSA-N 0 0 413.271 4.533 50 0 HJAARN Cc1ccc(S(=O)(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)cc1 ZINC000015870159 569017157 /nfs/dbraw/zinc/01/71/57/569017157.db2.gz JOXXYSSNPYARAQ-UHFFFAOYSA-N 0 0 423.519 4.658 50 0 HJAARN O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccn(Cc2ccccc2Cl)c1=O ZINC000015882803 569019150 /nfs/dbraw/zinc/01/91/50/569019150.db2.gz HEHPGEZGNLYWHV-UHFFFAOYSA-N 0 0 424.781 4.960 50 0 HJAARN CCc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000015883258 569019286 /nfs/dbraw/zinc/01/92/86/569019286.db2.gz GECWELXXWSNXIR-UHFFFAOYSA-N 0 0 400.400 4.730 50 0 HJAARN CCCc1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2-c2cccc(C)c2)n1 ZINC000012884549 569019452 /nfs/dbraw/zinc/01/94/52/569019452.db2.gz RZZDVVDRGOZMIW-OAHLLOKOSA-N 0 0 406.511 4.883 50 0 HJAARN CCCCN(C(=O)c1cc(Br)c(Br)n1C)c1ccccc1 ZINC000012887951 569019655 /nfs/dbraw/zinc/01/96/55/569019655.db2.gz ZQICKYOGPUZVRL-UHFFFAOYSA-N 0 0 414.141 4.997 50 0 HJAARN O=C(NCCc1c[nH]c2ccccc12)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000012898623 569020519 /nfs/dbraw/zinc/02/05/19/569020519.db2.gz HDGXCONNPMDIGG-UHFFFAOYSA-N 0 0 408.457 4.914 50 0 biogenic HJAARN Cc1nc(COc2cccc(C(=O)NCc3ccccc3OC(F)(F)F)c2)cs1 ZINC000012905925 569021212 /nfs/dbraw/zinc/02/12/12/569021212.db2.gz UIHYOTZPSBHTMI-UHFFFAOYSA-N 0 0 422.428 4.859 50 0 HJAARN C[C@@H]1CCCN(Cc2csc(NC(=O)c3cc(F)ccc3Br)n2)C1 ZINC000012916377 569022296 /nfs/dbraw/zinc/02/22/96/569022296.db2.gz YTQFVYISIOGDAE-LLVKDONJSA-N 0 0 412.328 4.529 50 0 HJAARN CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000012916761 569022410 /nfs/dbraw/zinc/02/24/10/569022410.db2.gz UERQXMAAGIIAAU-UHFFFAOYSA-N 0 0 413.452 4.752 50 0 HJAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000012920146 569022935 /nfs/dbraw/zinc/02/29/35/569022935.db2.gz ZDUYHAJQUJCVEM-QGZVFWFLSA-N 0 0 415.493 4.720 50 0 HJAARN O=C(Cc1coc2ccc3ccccc3c12)O[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000012921127 569023204 /nfs/dbraw/zinc/02/32/04/569023204.db2.gz MKUMKXKLHFKINP-DEOSSOPVSA-N 0 0 417.436 4.831 50 0 HJAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000012936983 569027297 /nfs/dbraw/zinc/02/72/97/569027297.db2.gz DOTAWEKLSPEVFN-HXUWFJFHSA-N 0 0 420.465 4.526 50 0 HJAARN COc1cc(C(=O)Nc2nc(CN3C[C@H](C)C[C@H](C)C3)cs2)cc(Cl)c1OC ZINC000012942283 569028699 /nfs/dbraw/zinc/02/86/99/569028699.db2.gz CNQUJIXVSRHLOY-BETUJISGSA-N 0 0 423.966 4.544 50 0 HJAARN COc1ccc([C@H](NC(=O)COc2ccc(Br)cc2Cl)C2CC2)cc1 ZINC000012943232 569028841 /nfs/dbraw/zinc/02/88/41/569028841.db2.gz DRZQWXHBMZKVGI-LJQANCHMSA-N 0 0 424.722 4.757 50 0 HJAARN CCN(C(=O)Cc1cc(OC)c(OC)c(OC)c1)c1nc2cc(Cl)ccc2s1 ZINC000012944599 569028925 /nfs/dbraw/zinc/02/89/25/569028925.db2.gz ANQMOIOTEWFMRF-UHFFFAOYSA-N 0 0 420.918 4.571 50 0 HJAARN CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000012944943 569028952 /nfs/dbraw/zinc/02/89/52/569028952.db2.gz HCLCJDMDCVZUNJ-QFIPXVFZSA-N 0 0 401.510 4.739 50 0 HJAARN COc1ccc(N(C)C(=O)c2c(C)onc2-c2c(F)cccc2Cl)cc1OC ZINC000063831870 569030351 /nfs/dbraw/zinc/03/03/51/569030351.db2.gz RQKVXYCEMFNGSM-UHFFFAOYSA-N 0 0 404.825 4.736 50 0 HJAARN CCOc1ccccc1NC(=O)[C@H](Nc1cccc(NC(C)=O)c1)c1ccccc1 ZINC000007224500 569031635 /nfs/dbraw/zinc/03/16/35/569031635.db2.gz IOKFMKKKNNAMCR-HSZRJFAPSA-N 0 0 403.482 4.836 50 0 HJAARN COc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000006213732 569033222 /nfs/dbraw/zinc/03/32/22/569033222.db2.gz BIGLQGYSJOBHOS-UHFFFAOYSA-N 0 0 410.543 4.613 50 0 HJAARN CCc1ccc(-c2nc(S[C@H](C)C(=O)N[C@@H](C)CCc3ccccc3)n[nH]2)cc1 ZINC000006214802 569033272 /nfs/dbraw/zinc/03/32/72/569033272.db2.gz YMSQJZPUWYNOPB-DLBZAZTESA-N 0 0 408.571 4.652 50 0 HJAARN Cc1ccc(CN2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1 ZINC000006215449 569033344 /nfs/dbraw/zinc/03/33/44/569033344.db2.gz WRVLZXRFKQXUGV-FQEVSTJZSA-N 0 0 400.478 4.775 50 0 HJAARN O=C(CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc21)NCCC1=CCCCC1 ZINC000006229949 569033591 /nfs/dbraw/zinc/03/35/91/569033591.db2.gz ULKUGXIMFVUCPB-RUZDIDTESA-N 0 0 413.521 4.720 50 0 HJAARN COc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3F)c3ccccc32)cc1 ZINC000006230444 569033631 /nfs/dbraw/zinc/03/36/31/569033631.db2.gz GASRDAYSYRKOLX-UHFFFAOYSA-N 0 0 402.425 4.659 50 0 HJAARN Cc1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1S(=O)(=O)N1CCCCC1 ZINC000006232142 569033740 /nfs/dbraw/zinc/03/37/40/569033740.db2.gz WDOCCKTXYNDLHV-UHFFFAOYSA-N 0 0 414.571 4.854 50 0 HJAARN CCOc1ccccc1NC(=O)NCCn1c(-c2ccc(C)cc2)nc2cccnc21 ZINC000035376399 569034112 /nfs/dbraw/zinc/03/41/12/569034112.db2.gz FXCMVQCYNWQFGW-UHFFFAOYSA-N 0 0 415.497 4.627 50 0 HJAARN O=C(CN1CCc2ccccc2C1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000035388466 569034602 /nfs/dbraw/zinc/03/46/02/569034602.db2.gz UROPOCGIADZSER-UHFFFAOYSA-N 0 0 417.578 4.613 50 0 HJAARN CC(C)NC(=S)Nc1ccc(Oc2ccc(NC(=S)NC(C)C)cc2)cc1 ZINC000006245565 569034618 /nfs/dbraw/zinc/03/46/18/569034618.db2.gz BMJQGMKVLYOSMP-UHFFFAOYSA-N 0 0 402.589 4.869 50 0 HJAARN Cc1cccc(-c2ccc(N3CCC[C@H](C(=O)NCc4ccc(Cl)cc4)C3)nn2)c1 ZINC000035398310 569035101 /nfs/dbraw/zinc/03/51/01/569035101.db2.gz GOGRWHWMQCULST-FQEVSTJZSA-N 0 0 420.944 4.638 50 0 HJAARN COCCn1c(C)cc(C(=O)CSc2nnc(Nc3ccc(C)cc3)s2)c1C ZINC000006256068 569035406 /nfs/dbraw/zinc/03/54/06/569035406.db2.gz JEOHGZGROUPKAH-UHFFFAOYSA-N 0 0 416.572 4.630 50 0 HJAARN Cc1ccc(-n2cc(C3=CCN(CC(=O)Nc4ccc(C)cc4C)CC3)cn2)cc1 ZINC000035403931 569035544 /nfs/dbraw/zinc/03/55/44/569035544.db2.gz FPWFJKTZHIYIEQ-UHFFFAOYSA-N 0 0 400.526 4.525 50 0 HJAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)c1 ZINC000006271180 569036698 /nfs/dbraw/zinc/03/66/98/569036698.db2.gz DNZQLYLJIHZWFK-FQEVSTJZSA-N 0 0 422.978 4.749 50 0 HJAARN COc1ccc2c(c1)NC1(CCN(C(=O)Nc3cccc(F)c3)CC1)c1cccn1-2 ZINC000035447013 569037307 /nfs/dbraw/zinc/03/73/07/569037307.db2.gz FOLAGOZAPQFRBY-UHFFFAOYSA-N 0 0 406.461 4.574 50 0 biogenic HJAARN COC(=O)c1c(NC(=O)N2CCC[C@@H]2c2ccc(OC)cc2)sc2c1CCCC2 ZINC000035476514 569038319 /nfs/dbraw/zinc/03/83/19/569038319.db2.gz CBYNNVUBIBPTOP-QGZVFWFLSA-N 0 0 414.527 4.791 50 0 HJAARN CN(C)c1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(Cl)c3)n2)cc1 ZINC000035476194 569038462 /nfs/dbraw/zinc/03/84/62/569038462.db2.gz VUZVXEQNYQUUTD-UHFFFAOYSA-N 0 0 417.900 4.906 50 0 HJAARN CN(C)c1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)cc3)n2)cc1 ZINC000035476191 569038504 /nfs/dbraw/zinc/03/85/04/569038504.db2.gz UJIOVXIZQGIHOT-UHFFFAOYSA-N 0 0 417.900 4.906 50 0 HJAARN O=C(Nc1cccc(-c2noc(C3CCCC3)n2)c1)c1cncc(Br)c1 ZINC000035479777 569038683 /nfs/dbraw/zinc/03/86/83/569038683.db2.gz IHHLXYCIQMPPTE-UHFFFAOYSA-N 0 0 413.275 4.804 50 0 HJAARN Cn1cc([C@@H]2CN(C(=O)Nc3ccccc3C(F)(F)F)Cc3ccccc32)cn1 ZINC000575621128 569039011 /nfs/dbraw/zinc/03/90/11/569039011.db2.gz YBAJQNDKXRZQNV-KRWDZBQOSA-N 0 0 400.404 4.619 50 0 HJAARN O=S(=O)(c1nc(-c2ccc(Cl)cc2)oc1N1CCCCC1)c1ccc(F)cc1 ZINC000035485309 569039712 /nfs/dbraw/zinc/03/97/12/569039712.db2.gz KPPNKCKMSAILCB-UHFFFAOYSA-N 0 0 420.893 4.957 50 0 HJAARN CN1C[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000035494275 569040136 /nfs/dbraw/zinc/04/01/36/569040136.db2.gz JRKXZSDHWWDBMI-OPJGWUQDSA-N 0 0 416.908 4.716 50 0 HJAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc4c(c3)OCO4)C2=O)cc1C ZINC000102574111 569040233 /nfs/dbraw/zinc/04/02/33/569040233.db2.gz ZOTGZILUJKHCTL-BKUYFWCQSA-N 0 0 412.445 4.672 50 0 HJAARN COc1ccc(NC(=O)c2nn(C)c3c2CSc2ccc(Cl)cc2-3)cc1OC ZINC000035506674 569040937 /nfs/dbraw/zinc/04/09/37/569040937.db2.gz KLNLEFXPUGCODY-UHFFFAOYSA-N 0 0 415.902 4.616 50 0 HJAARN COCCCNC(=O)C[C@@H](c1cn(C)c2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000006713535 569041241 /nfs/dbraw/zinc/04/12/41/569041241.db2.gz AGTZIQFVLKKFLW-LJQANCHMSA-N 0 0 418.459 4.872 50 0 HJAARN Cc1c(CNC(=O)NCc2cccs2)sc2nc(-c3ccc(F)cc3)cn12 ZINC000090593878 569041641 /nfs/dbraw/zinc/04/16/41/569041641.db2.gz UVAWJQXHWYPODR-UHFFFAOYSA-N 0 0 400.504 4.571 50 0 HJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cc(-c2cccs2)n(C)n1 ZINC000090607044 569041889 /nfs/dbraw/zinc/04/18/89/569041889.db2.gz XNCNOSOLRVLUKY-UHFFFAOYSA-N 0 0 412.902 4.695 50 0 HJAARN Cc1csc(SCC2CCN(C(=O)c3ccccc3Br)CC2)n1 ZINC000090608091 569042199 /nfs/dbraw/zinc/04/21/99/569042199.db2.gz YPFFCOPAIPVCKC-UHFFFAOYSA-N 0 0 411.390 4.859 50 0 HJAARN COc1ccc(SCC2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 ZINC000090608296 569042327 /nfs/dbraw/zinc/04/23/27/569042327.db2.gz VHTDYUPDXQNCQR-UHFFFAOYSA-N 0 0 418.005 4.603 50 0 HJAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)NC2CCCCC2)C2CCCCC2)c1C ZINC000035510455 569042586 /nfs/dbraw/zinc/04/25/86/569042586.db2.gz OPNZLDRVWPPAPP-UHFFFAOYSA-N 0 0 403.567 4.985 50 0 HJAARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)N(CCc1cccs1)Cc1ccoc1 ZINC000090612376 569042829 /nfs/dbraw/zinc/04/28/29/569042829.db2.gz WZADPQAPMPLVTD-UHFFFAOYSA-N 0 0 409.486 4.766 50 0 HJAARN O=C(NCc1ccc([C@H](O)c2cccs2)s1)c1ccc(OC(F)(F)F)cc1 ZINC000090613664 569042899 /nfs/dbraw/zinc/04/28/99/569042899.db2.gz OSDZOJWZAARKHV-MRXNPFEDSA-N 0 0 413.442 4.720 50 0 HJAARN CC[C@H](C)NC(=O)CC1CCN(C(=O)c2sc(-c3ccc(C)cc3)nc2C)CC1 ZINC000035512540 569043140 /nfs/dbraw/zinc/04/31/40/569043140.db2.gz FBJVLSCLZWJEOC-INIZCTEOSA-N 0 0 413.587 4.584 50 0 HJAARN O=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2cc(NC3CCCCC3)ncn2)cc1 ZINC000035511812 569043169 /nfs/dbraw/zinc/04/31/69/569043169.db2.gz DDRKAAJCXCNNDR-UHFFFAOYSA-N 0 0 416.481 4.869 50 0 HJAARN Cc1sc(-c2noc(C3CC3)n2)cc1S(=O)(=O)Nc1ccc(C(C)C)cc1 ZINC000035539430 569043655 /nfs/dbraw/zinc/04/36/55/569043655.db2.gz ARIMUXJYXRVXLL-UHFFFAOYSA-N 0 0 403.529 4.908 50 0 HJAARN Cc1ccc(-c2noc([C@@H]3CCCN3S(=O)(=O)c3ccc(C(C)C)cc3)n2)cc1 ZINC000035527823 569043957 /nfs/dbraw/zinc/04/39/57/569043957.db2.gz IDYVZSQSBDOKOO-FQEVSTJZSA-N 0 0 411.527 4.694 50 0 HJAARN Cc1ccc(C)c(C(=O)c2cn(Cc3ccccc3F)c3nc(C)ccc3c2=O)c1 ZINC000035528357 569044005 /nfs/dbraw/zinc/04/40/05/569044005.db2.gz YIVZCHOQDQMQIB-UHFFFAOYSA-N 0 0 400.453 4.740 50 0 HJAARN CCCCn1c2nnc(SCc3ccccc3Cl)n2c2ccsc2c1=O ZINC000035529081 569044085 /nfs/dbraw/zinc/04/40/85/569044085.db2.gz PCNAPJBEBSBBSF-UHFFFAOYSA-N 0 0 404.948 4.852 50 0 HJAARN O=c1c2sccc2n2c(SCc3cccc(F)c3)nnc2n1Cc1ccccc1 ZINC000035529260 569044152 /nfs/dbraw/zinc/04/41/52/569044152.db2.gz HDXZLUTZKFCPCM-UHFFFAOYSA-N 0 0 422.510 4.585 50 0 HJAARN CC(C)c1ccc(NC(=O)CSc2ncnc3nc(N4CCCC4)sc32)cc1 ZINC000035533006 569044421 /nfs/dbraw/zinc/04/44/21/569044421.db2.gz DEVNCLKABMCBKZ-UHFFFAOYSA-N 0 0 413.572 4.541 50 0 HJAARN COc1ccc(C(=O)[C@H](C)Sc2nnc([C@H](C)Oc3ccc(F)cc3)o2)cc1 ZINC000006374641 569045345 /nfs/dbraw/zinc/04/53/45/569045345.db2.gz DMMCGGNRJWMLFH-STQMWFEESA-N 0 0 402.447 4.721 50 0 HJAARN COc1ccc2c(c1)c(CC(=O)NCC(C)C)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000006378034 569045584 /nfs/dbraw/zinc/04/55/84/569045584.db2.gz JWUPAOCSOUUQNS-UHFFFAOYSA-N 0 0 412.917 4.615 50 0 HJAARN COc1ccccc1NC(=O)N1CCC(c2nnc(-c3ccccc3OC)s2)CC1 ZINC000035597025 569045642 /nfs/dbraw/zinc/04/56/42/569045642.db2.gz OVWBXDCMIAGEPI-UHFFFAOYSA-N 0 0 424.526 4.634 50 0 HJAARN C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCC[C@H](C(F)(F)F)C1 ZINC000035600912 569046181 /nfs/dbraw/zinc/04/61/81/569046181.db2.gz UTSWMUVKQRJNRT-WMZOPIPTSA-N 0 0 406.448 4.867 50 0 HJAARN CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(O[C@H](C)CC)cc2)cc1 ZINC000006386404 569046295 /nfs/dbraw/zinc/04/62/95/569046295.db2.gz BHGAKBDCZVDWGJ-OAHLLOKOSA-N 0 0 413.543 4.729 50 0 HJAARN CC(C)=C[C@H]1[C@@H](C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)C1(C)C ZINC000012987797 569047529 /nfs/dbraw/zinc/04/75/29/569047529.db2.gz ABQBIWXPMGCECP-REWPJTCUSA-N 0 0 415.537 4.690 50 0 HJAARN O=C(NCc1ccc(F)cc1)c1nnc(/C(Cl)=C/c2cc(F)ccc2F)s1 ZINC000040139848 569048160 /nfs/dbraw/zinc/04/81/60/569048160.db2.gz WFRSXLGMRKVMBQ-ZSOIEALJSA-N 0 0 409.820 4.622 50 0 HJAARN Cc1ccc(C2N=NC(=S)N2CC(=O)N(C)Cc2ccc(Cl)cc2Cl)cc1 ZINC000012997539 569048352 /nfs/dbraw/zinc/04/83/52/569048352.db2.gz DKPMRTNJKUQKJN-UHFFFAOYSA-N 0 0 421.353 4.508 50 0 HJAARN O=C(Cc1ccc(Cl)cc1)Nc1ccnn1Cc1ccccc1Br ZINC000013006243 569049642 /nfs/dbraw/zinc/04/96/42/569049642.db2.gz AJSNYDRKAJFGKR-UHFFFAOYSA-N 0 0 404.695 4.529 50 0 HJAARN CCCc1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2-c2ccccc2C)n1 ZINC000013013463 569050941 /nfs/dbraw/zinc/05/09/41/569050941.db2.gz PWBBSSPESXMDSK-OAHLLOKOSA-N 0 0 406.511 4.883 50 0 HJAARN COc1ccc(OC)c(NC(=O)c2cc(Br)c(Br)s2)c1 ZINC000013019985 569051133 /nfs/dbraw/zinc/05/11/33/569051133.db2.gz WXOIUEODYDLTCP-UHFFFAOYSA-N 0 0 421.110 4.543 50 0 HJAARN Cc1c(-c2ccccc2)sc(NC(=O)c2cccs2)c1C(=O)N1CCOCC1 ZINC000013021815 569051165 /nfs/dbraw/zinc/05/11/65/569051165.db2.gz AWRDZVCVQRXUOP-UHFFFAOYSA-N 0 0 412.536 4.510 50 0 HJAARN CCCOc1ccc(/C=C/C(=O)Nc2sc(C)c(C)c2C(=O)OCC)cc1OC ZINC000001744761 569051336 /nfs/dbraw/zinc/05/13/36/569051336.db2.gz CFWKBMGEYXMYEX-PKNBQFBNSA-N 0 0 417.527 4.991 50 0 HJAARN COc1cc2c(cc1OC)CN(C(=O)C[C@H](c1ccc(Cl)cc1)n1cccc1)CC2 ZINC000253398892 569051479 /nfs/dbraw/zinc/05/14/79/569051479.db2.gz CJOPSVVOBWGESC-OAQYLSRUSA-N 0 0 424.928 4.723 50 0 HJAARN COC(=O)c1c(NC(=O)CCCOc2cccc(C)c2)sc2c1CC[C@@H](C)C2 ZINC000001773768 569052469 /nfs/dbraw/zinc/05/24/69/569052469.db2.gz UYULZLGMDUOJOH-OAHLLOKOSA-N 0 0 401.528 4.766 50 0 HJAARN CCCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3c(OC)cccc32)cc1 ZINC000001777837 569052591 /nfs/dbraw/zinc/05/25/91/569052591.db2.gz HAFRUYDDLOKQGF-UHFFFAOYSA-N 0 0 408.454 4.731 50 0 HJAARN C[C@@H]1CCc2c(sc3ncn(CC(=O)Nc4cc(Cl)cc(Cl)c4)c(=O)c32)C1 ZINC000001787511 569053025 /nfs/dbraw/zinc/05/30/25/569053025.db2.gz CRZCGSSJEHCDQW-SNVBAGLBSA-N 0 0 422.337 4.528 50 0 HJAARN Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@@H]3C2=O)c1 ZINC000136068008 569053666 /nfs/dbraw/zinc/05/36/66/569053666.db2.gz CZNJUCWEUUULRC-FDFHNCONSA-N 0 0 418.880 4.700 50 0 HJAARN CCSCC[C@@H](C)N(C)C(=O)c1cn(Cc2ccccc2)c2ccccc2c1=O ZINC000089275249 569053838 /nfs/dbraw/zinc/05/38/38/569053838.db2.gz DKSUAYKXPKMLLT-GOSISDBHSA-N 0 0 408.567 4.654 50 0 HJAARN CCS(=O)(=O)CCN(C)C(=O)c1oc2ccccc2c1CSC1CCCCC1 ZINC000089272350 569053887 /nfs/dbraw/zinc/05/38/87/569053887.db2.gz KHDIWAHTUXIITP-UHFFFAOYSA-N 0 0 423.600 4.505 50 0 HJAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3C[C@H]3c3ccccc3)c2C(N)=O)C1 ZINC000239128687 569053982 /nfs/dbraw/zinc/05/39/82/569053982.db2.gz KQARDHCXFOGAFT-NJAFHUGGSA-N 0 0 410.583 5.130 50 0 HJAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)c2C(N)=O)C1 ZINC000239128686 569053985 /nfs/dbraw/zinc/05/39/85/569053985.db2.gz KQARDHCXFOGAFT-BPQIPLTHSA-N 0 0 410.583 5.130 50 0 HJAARN C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000239433016 569054334 /nfs/dbraw/zinc/05/43/34/569054334.db2.gz XCDZWZPYDMEQGF-QWQRMKEZSA-N 0 0 402.539 4.595 50 0 HJAARN CCN(c1ccsc1C(=O)N[C@@H]1CCCC[C@H]1C)S(=O)(=O)c1ccc(C)cc1 ZINC000245247961 569055364 /nfs/dbraw/zinc/05/53/64/569055364.db2.gz ZVZHTHCMYIYRAK-SJLPKXTDSA-N 0 0 420.600 4.580 50 0 HJAARN O=C(COc1ccccc1C(=O)Nc1ccccc1)N[C@H]1CCCc2ccccc21 ZINC000006460940 569057273 /nfs/dbraw/zinc/05/72/73/569057273.db2.gz MCAWZHDIQUXZFB-QFIPXVFZSA-N 0 0 400.478 4.512 50 0 HJAARN CCCN(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)C(=O)C1CCCCC1 ZINC000035767717 569058085 /nfs/dbraw/zinc/05/80/85/569058085.db2.gz RZGKEPQTDHVSBH-UHFFFAOYSA-N 0 0 414.521 4.766 50 0 HJAARN CC/C(=C/c1sc2ccc3ccccc3c2[n+]1CCCS(=O)(=O)[O-])SC ZINC000001919902 569059371 /nfs/dbraw/zinc/05/93/71/569059371.db2.gz BPPUDEPKNJZROQ-SQFISAMPSA-O 0 0 408.590 4.734 50 0 HJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCc1nnc(-c2ccccc2)o1 ZINC000003523173 569060442 /nfs/dbraw/zinc/06/04/42/569060442.db2.gz LAMHWIZQUPEOTJ-UHFFFAOYSA-N 0 0 422.872 4.609 50 0 HJAARN Fc1ccc(OCCSc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1 ZINC000006509571 569061943 /nfs/dbraw/zinc/06/19/43/569061943.db2.gz DMADNRSUVUHVTB-UHFFFAOYSA-N 0 0 406.486 4.699 50 0 HJAARN C[C@@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 ZINC000006509833 569061986 /nfs/dbraw/zinc/06/19/86/569061986.db2.gz DGKIROTWNRGCDM-LLVKDONJSA-N 0 0 402.210 4.724 50 0 HJAARN CCc1cccc(NC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccccc3)C2)c1 ZINC000064452443 569062906 /nfs/dbraw/zinc/06/29/06/569062906.db2.gz YAAPWTXRXCTCIP-LJQANCHMSA-N 0 0 402.498 4.686 50 0 HJAARN COc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)cc2-c2cccnc2)cc1 ZINC000064472867 569063407 /nfs/dbraw/zinc/06/34/07/569063407.db2.gz LCVPKRSFHAPDJU-UHFFFAOYSA-N 0 0 404.857 4.849 50 0 HJAARN O=C(Nc1cc(F)ccc1F)N1CCCN(c2nc3ccccc3n3cccc23)CC1 ZINC000064473222 569063743 /nfs/dbraw/zinc/06/37/43/569063743.db2.gz ANGRHOFAKDFDOZ-UHFFFAOYSA-N 0 0 421.451 4.510 50 0 HJAARN O=C(NCCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCCC[C@H]12 ZINC000035871194 569064024 /nfs/dbraw/zinc/06/40/24/569064024.db2.gz BQYAJVVRNRJYKE-TZIWHRDSSA-N 0 0 402.460 4.596 50 0 HJAARN CC[C@H]1Oc2ccc(NC(=O)Cc3cccs3)cc2CN(C2CCCCC2)C1=O ZINC000035883656 569064653 /nfs/dbraw/zinc/06/46/53/569064653.db2.gz BSVWODZYCYBAQH-HXUWFJFHSA-N 0 0 412.555 4.762 50 0 HJAARN Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000006549638 569064922 /nfs/dbraw/zinc/06/49/22/569064922.db2.gz SLZXLQDGDDHGFT-UHFFFAOYSA-N 0 0 401.462 4.638 50 0 HJAARN Cc1ccc(NC(=O)CSCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c(C)c1 ZINC000006549969 569064975 /nfs/dbraw/zinc/06/49/75/569064975.db2.gz DYROVZBFHLDQET-OQOKOFKUSA-N 0 0 414.615 4.696 50 0 HJAARN COc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 ZINC000035910901 569065939 /nfs/dbraw/zinc/06/59/39/569065939.db2.gz RBEJQBGZEZYMLA-QHCPKHFHSA-N 0 0 422.481 4.865 50 0 HJAARN COc1ccccc1N1C(=O)CS[C@@H]1c1ccccc1NC(=O)c1ccccc1F ZINC000035925136 569066341 /nfs/dbraw/zinc/06/63/41/569066341.db2.gz ZGCOFLFDELLIEP-HSZRJFAPSA-N 0 0 422.481 4.865 50 0 HJAARN CCN1CCN(C(=O)c2cc3c(cccc3OCc3ccccc3)n2CC(C)C)CC1 ZINC000035927677 569066635 /nfs/dbraw/zinc/06/66/35/569066635.db2.gz FKSLWGXPDCHQSS-UHFFFAOYSA-N 0 0 419.569 4.654 50 0 HJAARN CC(C)CNc1nc2nn(-c3ccc(Cl)cc3)c(N)c2c(-c2ccc(F)cc2)n1 ZINC000035930029 569066719 /nfs/dbraw/zinc/06/67/19/569066719.db2.gz OYQNAJWNZODNOJ-UHFFFAOYSA-N 0 0 410.884 4.925 50 0 HJAARN COc1ccc([C@H]2OC([C@@H](C)Nc3cccc4ccccc43)=NN2C(C)=O)c(OC)c1 ZINC000064567441 569067349 /nfs/dbraw/zinc/06/73/49/569067349.db2.gz ZFNWFDGVIMFFFI-OYLFLEFRSA-N 0 0 419.481 4.548 50 0 HJAARN Cc1nc2cc(C(=O)OCC(=O)Nc3ccc(C)cc3C)ccc2n1-c1ccccc1 ZINC000006582491 569067930 /nfs/dbraw/zinc/06/79/30/569067930.db2.gz BRRHYCBIPSVPFM-UHFFFAOYSA-N 0 0 413.477 4.746 50 0 HJAARN Cc1ccc(Sc2ncccc2C(=O)Nc2ccnn2Cc2ccccn2)cc1C ZINC000006589446 569068120 /nfs/dbraw/zinc/06/81/20/569068120.db2.gz ODFRVJHZPZWJIN-UHFFFAOYSA-N 0 0 415.522 4.742 50 0 HJAARN C=Cc1ccc(CSc2nnc3c(=O)n(-c4cccc(Cl)c4C)ccn23)cc1 ZINC000064593764 569069607 /nfs/dbraw/zinc/06/96/07/569069607.db2.gz ZAQLFDDMPSDPKY-UHFFFAOYSA-N 0 0 408.914 4.777 50 0 HJAARN O=c1c(-c2ccc(Cl)cc2)coc2c1ccc1c2CN(Cc2ccccn2)CO1 ZINC000054313355 569070779 /nfs/dbraw/zinc/07/07/79/569070779.db2.gz RRDTYDABMNQKED-UHFFFAOYSA-N 0 0 404.853 4.861 50 0 HJAARN Cc1ccc(NC(=S)N[C@@H](NC(=O)CC(C)(C)C)C(Cl)(Cl)Cl)cc1 ZINC000005740387 569072020 /nfs/dbraw/zinc/07/20/20/569072020.db2.gz IMCXDRYBYDXPPL-CYBMUJFWSA-N 0 0 410.798 4.530 50 0 HJAARN CC(=O)c1cccc(NC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)c1 ZINC000006623865 569075315 /nfs/dbraw/zinc/07/53/15/569075315.db2.gz RPYSXZOCMGYUPJ-UHFFFAOYSA-N 0 0 403.434 4.930 50 0 biogenic HJAARN COC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(C(=O)c2ccc(C)cc2)C2CCCCC2)c1C ZINC000036005061 569075872 /nfs/dbraw/zinc/07/58/72/569075872.db2.gz KGRXWRIDPOWWFR-GOSISDBHSA-N 0 0 424.541 4.773 50 0 HJAARN COc1cc(CCC(=O)Nc2nc3c(cc(C)cc3C)s2)cc(OC)c1OC ZINC000006627068 569075987 /nfs/dbraw/zinc/07/59/87/569075987.db2.gz YWZIVGOGSWILME-UHFFFAOYSA-N 0 0 400.500 4.510 50 0 HJAARN Cc1cccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2ccc(F)cc2)c1 ZINC000064657022 569077121 /nfs/dbraw/zinc/07/71/21/569077121.db2.gz BTPHOTLETXSTRW-INIZCTEOSA-N 0 0 401.484 4.503 50 0 HJAARN COc1ccc(-c2cc(CN(Cc3ccco3)C(=O)c3cccs3)no2)cc1OC ZINC000036019123 569077301 /nfs/dbraw/zinc/07/73/01/569077301.db2.gz UJSFFRQXDVYPDZ-UHFFFAOYSA-N 0 0 424.478 4.856 50 0 HJAARN CC(C)OC(=O)c1cc2ccsc2n1CC(=O)Nc1ccccc1C(F)(F)F ZINC000064659043 569077659 /nfs/dbraw/zinc/07/76/59/569077659.db2.gz PJKYDYNIOMECKJ-UHFFFAOYSA-N 0 0 410.417 4.926 50 0 HJAARN Cc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccccc2Cl)CC3)cc1 ZINC000064660416 569077903 /nfs/dbraw/zinc/07/79/03/569077903.db2.gz LQWIXNAQDZPRPN-UHFFFAOYSA-N 0 0 404.944 4.519 50 0 HJAARN COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccccc2)c(OC)c1 ZINC000006642140 569078250 /nfs/dbraw/zinc/07/82/50/569078250.db2.gz OPSSSWJBIKGPHY-QDZLFNKNSA-N 0 0 421.537 4.612 50 0 biogenic HJAARN COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1ccc(F)cc1Cl ZINC000064670096 569079112 /nfs/dbraw/zinc/07/91/12/569079112.db2.gz FDLZSILRSKLYDH-UHFFFAOYSA-N 0 0 412.895 4.720 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000006646738 569079430 /nfs/dbraw/zinc/07/94/30/569079430.db2.gz WWPMNAQQCUAHOU-UHFFFAOYSA-N 0 0 409.367 4.657 50 0 HJAARN CCN1c2cc(C(=O)NC[C@H](C)c3ccccc3)ccc2Oc2ccccc2C1=O ZINC000064677321 569081541 /nfs/dbraw/zinc/08/15/41/569081541.db2.gz DBMPWFNRLHBWEZ-KRWDZBQOSA-N 0 0 400.478 4.993 50 0 HJAARN O=C(CSc1ccc(Cl)cc1)NCc1ccc(-c2nc3ncccc3o2)cc1 ZINC000006661348 569085263 /nfs/dbraw/zinc/08/52/63/569085263.db2.gz WBTKHUCEHDXLBI-UHFFFAOYSA-N 0 0 409.898 4.952 50 0 HJAARN CC(C)CCN1C(=O)N(C2CCCCC2)[C@@H](N(O)C(=O)NC2CCCCC2)C1(C)C ZINC000006663974 569085762 /nfs/dbraw/zinc/08/57/62/569085762.db2.gz PRHILGZPAVBMHH-FQEVSTJZSA-N 0 0 422.614 4.941 50 0 HJAARN CC(C)[C@@H](C)N(Cc1nc(C(=O)NC2CC2)co1)Cc1cccc(C(F)(F)F)c1 ZINC000036069157 569086018 /nfs/dbraw/zinc/08/60/18/569086018.db2.gz XFIRAWKDZKADBA-CQSZACIVSA-N 0 0 409.452 4.632 50 0 HJAARN CCOc1nc(-c2cccc(F)c2)n(-c2ccc(NC(=O)Cc3ccccc3)cc2)n1 ZINC000006670895 569086920 /nfs/dbraw/zinc/08/69/20/569086920.db2.gz OJCDJOFALVTRCT-UHFFFAOYSA-N 0 0 416.456 4.653 50 0 HJAARN CC(C)(C)n1c(=O)c2ccc(Cl)cc2n1CC(=O)Nc1ccc(F)cc1Cl ZINC000064747961 569089241 /nfs/dbraw/zinc/08/92/41/569089241.db2.gz VCBHAACHSRFAGI-UHFFFAOYSA-N 0 0 410.276 4.643 50 0 HJAARN CC(C)N(Cc1nccn1Cc1c(F)cccc1Cl)C(=O)c1ccc(F)cc1 ZINC000006689662 569089398 /nfs/dbraw/zinc/08/93/98/569089398.db2.gz FVLPYDJQPXLFMB-UHFFFAOYSA-N 0 0 403.860 4.914 50 0 HJAARN O=C(C1CC1)N(Cc1ccccc1Cl)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000006696161 569091816 /nfs/dbraw/zinc/09/18/16/569091816.db2.gz BCGIJMNRJZRJQM-INIZCTEOSA-N 0 0 403.309 4.925 50 0 HJAARN CCN1c2ccc(C(=O)Nc3c(C)cccc3C)cc2-c2ccccc2S1(=O)=O ZINC000064762057 569092014 /nfs/dbraw/zinc/09/20/14/569092014.db2.gz YYFNGMVOQVLAHE-UHFFFAOYSA-N 0 0 406.507 4.751 50 0 HJAARN Cc1ccccc1OC[C@H](O)CN(Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000036104208 569092360 /nfs/dbraw/zinc/09/23/60/569092360.db2.gz ACIHCTHQKSUFBC-JOCHJYFZSA-N 0 0 415.455 4.854 50 0 HJAARN COCCCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)CC(C)C ZINC000036114239 569093784 /nfs/dbraw/zinc/09/37/84/569093784.db2.gz GZRGXBQVMOAVBQ-UHFFFAOYSA-N 0 0 404.576 4.750 50 0 HJAARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2F)CC(=O)N1Cc1ccc(F)cc1F ZINC000006704339 569094467 /nfs/dbraw/zinc/09/44/67/569094467.db2.gz HLCXYEWDMCOEIH-GOSISDBHSA-N 0 0 417.427 4.846 50 0 HJAARN Cc1ccc2cc(-c3noc(CCC(=O)Nc4ccccc4C(C)C)n3)c(=O)[nH]c2c1 ZINC000064789896 569094618 /nfs/dbraw/zinc/09/46/18/569094618.db2.gz VDQZLIXNAQBDRN-UHFFFAOYSA-N 0 0 416.481 4.581 50 0 HJAARN CN(C)c1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)C3CCCC3)cc2)cc1 ZINC000006711419 569096639 /nfs/dbraw/zinc/09/66/39/569096639.db2.gz ITVDTRIXRRJINI-QHCPKHFHSA-N 0 0 409.555 4.660 50 0 HJAARN CCC(=O)N(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)CC1CC1 ZINC000006712791 569096867 /nfs/dbraw/zinc/09/68/67/569096867.db2.gz FXPBMVNWORCSJF-UHFFFAOYSA-N 0 0 413.949 4.807 50 0 HJAARN Cc1cc(Nc2ccc(NC(=O)c3cccc(F)c3)cc2)nc(N2CCCCC2)n1 ZINC000064800953 569097553 /nfs/dbraw/zinc/09/75/53/569097553.db2.gz ITXQUVONMIKXFN-UHFFFAOYSA-N 0 0 405.477 4.910 50 0 HJAARN CC(C)(C)NC(=O)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1 ZINC000006721406 569099229 /nfs/dbraw/zinc/09/92/29/569099229.db2.gz HVLPQFCBIAICTH-UHFFFAOYSA-N 0 0 403.404 4.778 50 0 HJAARN CC[C@H](C)N(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)C(=O)C1CC1 ZINC000006722150 569099411 /nfs/dbraw/zinc/09/94/11/569099411.db2.gz ZKCXBLCGKLUTGZ-INIZCTEOSA-N 0 0 411.521 4.681 50 0 HJAARN CCNC(=O)Nc1ccc(N(C)C)c(CN(C(=O)C(C)C)[C@H](C)c2ccccc2)c1 ZINC000006722312 569099550 /nfs/dbraw/zinc/09/95/50/569099550.db2.gz YNAIDJVWQTXZLP-GOSISDBHSA-N 0 0 410.562 4.640 50 0 HJAARN CN(C)c1ccc(NC(=O)c2cccc(F)c2)cc1CN(C(=O)C(C)(C)C)C1CC1 ZINC000006722931 569099839 /nfs/dbraw/zinc/09/98/39/569099839.db2.gz PAUKQPFTHCAFTF-UHFFFAOYSA-N 0 0 411.521 4.681 50 0 HJAARN CC(C)C(=O)N1CC(C)(C)S[C@@]12c1ccccc1N(Cc1ccc(F)cc1)C2=O ZINC000036152823 569100266 /nfs/dbraw/zinc/10/02/66/569100266.db2.gz HLLNDBJAAOWDNN-HSZRJFAPSA-N 0 0 412.530 4.535 50 0 HJAARN Cc1ccccc1CN1c2ccccc2[C@@]2(SCCN2C(=O)c2cccs2)C1=O ZINC000036152578 569100333 /nfs/dbraw/zinc/10/03/33/569100333.db2.gz DLWNGCLBZAUMIT-HSZRJFAPSA-N 0 0 420.559 4.645 50 0 HJAARN CCn1nc(C)c2nc(SCc3ccccc3F)n(CCc3ccccc3)c(=O)c21 ZINC000064817105 569100731 /nfs/dbraw/zinc/10/07/31/569100731.db2.gz LUWCDBNCJXCVFA-UHFFFAOYSA-N 0 0 422.529 4.595 50 0 HJAARN CCOc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccc(Cl)c3)oc2C)cc1 ZINC000064817927 569101227 /nfs/dbraw/zinc/10/12/27/569101227.db2.gz MGVMTWVYMFUZPY-UHFFFAOYSA-N 0 0 420.918 4.523 50 0 HJAARN CCOc1ccc(-c2nc(CNS(=O)(=O)c3ccc(C(C)C)cc3)c(C)o2)cc1 ZINC000064817869 569101256 /nfs/dbraw/zinc/10/12/56/569101256.db2.gz KGDKEBJHLFKDQP-UHFFFAOYSA-N 0 0 414.527 4.651 50 0 HJAARN COc1ccc(-c2nc(SCC(=O)NC3CCCC3)c(-c3ccccc3)[nH]2)cc1 ZINC000006729195 569102005 /nfs/dbraw/zinc/10/20/05/569102005.db2.gz AZOFIMOQUDQLCX-UHFFFAOYSA-N 0 0 407.539 4.903 50 0 HJAARN O=C(c1cnc2ccc(F)cc2c1Nc1cc(Cl)ccc1Cl)N1CCOCC1 ZINC000064819983 569102327 /nfs/dbraw/zinc/10/23/27/569102327.db2.gz UIBUAOGCZFRIDW-UHFFFAOYSA-N 0 0 420.271 4.897 50 0 HJAARN Cc1ccc2c(c1)[C@]1(SCCN1C(=O)C1CCCC1)C(=O)N2Cc1ccccc1F ZINC000036164735 569103194 /nfs/dbraw/zinc/10/31/94/569103194.db2.gz VQNWVSVVTREZRI-DEOSSOPVSA-N 0 0 424.541 4.599 50 0 HJAARN CCC(=O)N1CCS[C@]12c1cc(Cl)ccc1N(Cc1ccccc1Cl)C2=O ZINC000036165734 569103322 /nfs/dbraw/zinc/10/33/22/569103322.db2.gz QSYHYCOFRNGWNO-FQEVSTJZSA-N 0 0 421.349 4.678 50 0 HJAARN COc1cccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)C3CCCCC3)cc2)c1 ZINC000006736396 569104152 /nfs/dbraw/zinc/10/41/52/569104152.db2.gz WGYSLXJPJHBFTF-QHCPKHFHSA-N 0 0 410.539 4.993 50 0 HJAARN O=C(Nc1ccccc1[C@@H]1SCC(=O)N1c1ccc(F)cc1F)c1ccccc1 ZINC000006734463 569104274 /nfs/dbraw/zinc/10/42/74/569104274.db2.gz GOSKRZKXYWLFJL-QFIPXVFZSA-N 0 0 410.445 4.996 50 0 HJAARN O=C(Nc1ccc([C@@H]2SCC(=O)N2c2cccc(F)c2)cc1)c1cccc(F)c1 ZINC000006734229 569104279 /nfs/dbraw/zinc/10/42/79/569104279.db2.gz ZQRCCMYPAONLKM-QFIPXVFZSA-N 0 0 410.445 4.996 50 0 HJAARN O=c1c2sc3ccccc3c2n(Cc2cccc(F)c2)c(=O)n1Cc1ccccc1 ZINC000006739264 569105900 /nfs/dbraw/zinc/10/59/00/569105900.db2.gz HKDRWYYSRHGLIH-UHFFFAOYSA-N 0 0 416.477 4.614 50 0 HJAARN CCn1c(C(=O)N2CCCC[C@H]2c2cccnc2)cc2c1c1ccccc1oc2=O ZINC000064839038 569106455 /nfs/dbraw/zinc/10/64/55/569106455.db2.gz LHWVQAGXHSPZAV-IBGZPJMESA-N 0 0 401.466 4.530 50 0 HJAARN C[C@H](C(=O)Nc1ccccc1Cl)C1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000064847927 569107383 /nfs/dbraw/zinc/10/73/83/569107383.db2.gz LTEDQYOAGKXRAV-AWEZNQCLSA-N 0 0 403.885 4.998 50 0 HJAARN CCc1ccccc1NC(=O)Nc1sc2nc3n(c(=O)c2c1C)CC[C@H](C)CC3 ZINC000006750150 569109136 /nfs/dbraw/zinc/10/91/36/569109136.db2.gz XXKQXIGZQLSFOJ-CYBMUJFWSA-N 0 0 410.543 4.945 50 0 HJAARN COc1ccc2c(c1)NC1(CCN(C(=O)Cc3ccccc3Cl)CC1)c1cccn1-2 ZINC000064858681 569109206 /nfs/dbraw/zinc/10/92/06/569109206.db2.gz SDZCQFSDOZFBAM-UHFFFAOYSA-N 0 0 421.928 4.625 50 0 biogenic HJAARN Cc1c(NC(=O)Nc2ccc(C)cc2C)sc2nc3n(c(=O)c12)CC[C@H](C)CC3 ZINC000006750154 569109251 /nfs/dbraw/zinc/10/92/51/569109251.db2.gz JYWUHVBTBWCRJR-GFCCVEGCSA-N 0 0 410.543 5.000 50 0 HJAARN COC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2C)cc1 ZINC000006750948 569110019 /nfs/dbraw/zinc/11/00/19/569110019.db2.gz GDHUWKIWJOGYDS-UHFFFAOYSA-N 0 0 403.507 4.867 50 0 HJAARN Cc1ccccc1CSc1nc2ccncc2n1CC(=O)Nc1cccc(F)c1 ZINC000006752326 569110296 /nfs/dbraw/zinc/11/02/96/569110296.db2.gz ZOUKJQNLUBSYGA-UHFFFAOYSA-N 0 0 406.486 4.810 50 0 HJAARN Cc1ccc(O)c(-c2n[nH]c3c2[C@H](c2ccccc2F)N(Cc2ccco2)C3=O)c1 ZINC000006753262 569110743 /nfs/dbraw/zinc/11/07/43/569110743.db2.gz KCGNWMHNDRLLNS-QFIPXVFZSA-N 0 0 403.413 4.568 50 0 aggregator HJAARN CCc1ccccc1NC(=O)CSC1=Nc2ccccc2NC(CC(=O)OC)=C1 ZINC000064869497 569112302 /nfs/dbraw/zinc/11/23/02/569112302.db2.gz WPMIFPUTTFQFAF-UHFFFAOYSA-N 0 0 409.511 4.523 50 0 HJAARN CCOC(=O)CC1=CC(SCC(=O)Nc2cccc(C)c2C)=Nc2ccccc2N1 ZINC000064869683 569112404 /nfs/dbraw/zinc/11/24/04/569112404.db2.gz OIRVOILJXOBUSJ-UHFFFAOYSA-N 0 0 423.538 4.968 50 0 HJAARN O=S(=O)(NCCc1csc(-c2cccs2)n1)c1ccc2ccccc2c1 ZINC000006756112 569112447 /nfs/dbraw/zinc/11/24/47/569112447.db2.gz DCXMFVBYYVKQOV-UHFFFAOYSA-N 0 0 400.550 4.546 50 0 HJAARN CCc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2cccc(C)c2)cc1 ZINC000064871986 569113635 /nfs/dbraw/zinc/11/36/35/569113635.db2.gz DXGSYTGBBANAPM-UHFFFAOYSA-N 0 0 414.552 4.696 50 0 HJAARN CCOc1ccccc1NC(=O)C1CCN(c2cc(-c3cccc(C)c3)ncn2)CC1 ZINC000064872657 569113739 /nfs/dbraw/zinc/11/37/39/569113739.db2.gz LAWSBFCINITNGH-UHFFFAOYSA-N 0 0 416.525 4.706 50 0 HJAARN Cc1cccc(-c2cc(N3CCC(C(=O)Nc4cc(C)cc(C)c4)CC3)ncn2)c1 ZINC000064872661 569113763 /nfs/dbraw/zinc/11/37/63/569113763.db2.gz SZOGEDOCPDWKNP-UHFFFAOYSA-N 0 0 400.526 4.924 50 0 HJAARN Cc1cc[nH+]c([N-][C@]2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCCC3)C2=O)c1 ZINC000006760708 569114046 /nfs/dbraw/zinc/11/40/46/569114046.db2.gz YFEVVXOECRDIAF-NRFANRHFSA-N 0 0 416.447 4.682 50 0 HJAARN Cc1nc2cc(-c3noc(Cc4cccc(F)c4)n3)ccc2n(C2CCCC2)c1=O ZINC000064890522 569116389 /nfs/dbraw/zinc/11/63/89/569116389.db2.gz RCWQQVGHPBRUKA-UHFFFAOYSA-N 0 0 404.445 4.600 50 0 HJAARN CC[C@@H]1CCCCN1C(=O)c1cc2c(-c3ccc(OC)c(OC)c3)nn(C)c2s1 ZINC000006771405 569116722 /nfs/dbraw/zinc/11/67/22/569116722.db2.gz DHJKKSQRVUMUAU-OAHLLOKOSA-N 0 0 413.543 4.724 50 0 HJAARN COc1cccc(S(=O)(=O)N(Cc2ccc(F)cc2F)c2ccc(C)cc2)c1 ZINC000036248186 569117358 /nfs/dbraw/zinc/11/73/58/569117358.db2.gz FBTFUJQKRVROQD-UHFFFAOYSA-N 0 0 403.450 4.677 50 0 HJAARN COc1ccc(CN(c2ccc(F)cc2)S(=O)(=O)c2cc(F)ccc2C)cc1 ZINC000036248392 569117502 /nfs/dbraw/zinc/11/75/02/569117502.db2.gz YMZWREGAAKOIHY-UHFFFAOYSA-N 0 0 403.450 4.677 50 0 HJAARN COc1cccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2cccc(F)c2)c1 ZINC000036248851 569117959 /nfs/dbraw/zinc/11/79/59/569117959.db2.gz HVTKAPCHCBYQKY-UHFFFAOYSA-N 0 0 405.878 4.883 50 0 HJAARN CCOc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2cccc(NC(=O)CC)c2)n1 ZINC000006775967 569118951 /nfs/dbraw/zinc/11/89/51/569118951.db2.gz KFNUHQGPYPFWOC-UHFFFAOYSA-N 0 0 404.392 4.700 50 0 HJAARN CCCN(Cc1c(-c2ccccc2)noc1N1CCSCC1)C(=O)C1CCCC1 ZINC000036249623 569119139 /nfs/dbraw/zinc/11/91/39/569119139.db2.gz GAIGXICIDUAVBW-UHFFFAOYSA-N 0 0 413.587 4.824 50 0 HJAARN COc1cccc(OC)c1C(=O)Nc1cc(-c2nc3cccnc3s2)ccc1C ZINC000006781408 569120412 /nfs/dbraw/zinc/12/04/12/569120412.db2.gz DFFBHPTWQVFYOY-UHFFFAOYSA-N 0 0 405.479 4.936 50 0 HJAARN COc1ccc(C(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)c(OC)c1 ZINC000006781390 569120415 /nfs/dbraw/zinc/12/04/15/569120415.db2.gz OCTDWBMVECDYJD-UHFFFAOYSA-N 0 0 405.479 4.936 50 0 HJAARN COc1cccc(-c2nc(CSc3nnc(NC(C)C)s3)cs2)c1OC ZINC000006784459 569120825 /nfs/dbraw/zinc/12/08/25/569120825.db2.gz VRTDSHWHVIYFCX-UHFFFAOYSA-N 0 0 408.574 4.791 50 0 HJAARN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(N3CCCCCC3)c2c1C ZINC000006787623 569122069 /nfs/dbraw/zinc/12/20/69/569122069.db2.gz MRCGBLWDBMTXKG-UHFFFAOYSA-N 0 0 416.591 4.543 50 0 HJAARN Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1 ZINC000006787528 569122116 /nfs/dbraw/zinc/12/21/16/569122116.db2.gz WBIQSHCWNULXDQ-IVKJLDKCSA-N 0 0 421.467 4.532 50 0 HJAARN COc1ccc(C(C)=O)cc1COC(=O)c1ccccc1C(=O)c1ccc(C)cc1 ZINC000006788154 569122284 /nfs/dbraw/zinc/12/22/84/569122284.db2.gz GZVHGGXRPGUSDC-UHFFFAOYSA-N 0 0 402.446 4.794 50 0 HJAARN Cc1ccc(CNC(=O)C2(C)CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000064928066 569123090 /nfs/dbraw/zinc/12/30/90/569123090.db2.gz RFPXJSFWJMHSIH-UHFFFAOYSA-N 0 0 417.912 4.738 50 0 HJAARN Cc1ccc(NC(=O)[C@H]2CCCN(c3ccnc(-c4ccc(F)cc4)n3)C2)c(C)c1 ZINC000064928938 569123262 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COc1cccc(-c2cc(C(=O)Nc3ccc(F)cc3C)c3c(C)nn(C)c3n2)c1 ZINC000036616172 569207249 /nfs/dbraw/zinc/20/72/49/569207249.db2.gz ZRXCLEZRHXNPHJ-UHFFFAOYSA-N 0 0 404.445 4.652 50 0 HJAARN CCOc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3Cc2ccccc2)cc1 ZINC000036616111 569207254 /nfs/dbraw/zinc/20/72/54/569207254.db2.gz WPAOPHWRKFQFNO-UHFFFAOYSA-N 0 0 400.482 4.747 50 0 HJAARN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)Nc1nn(C)c(C)c1Cl ZINC000036616098 569207260 /nfs/dbraw/zinc/20/72/60/569207260.db2.gz JJCXWQFBGZTGFJ-UHFFFAOYSA-N 0 0 422.920 4.683 50 0 HJAARN CC[C@@H](C(=O)Nc1cc(C)ccc1C)n1ccc(C(=O)Nc2cc(C)ccc2C)n1 ZINC000036617883 569207356 /nfs/dbraw/zinc/20/73/56/569207356.db2.gz BVNMIJSAIIXLEG-QFIPXVFZSA-N 0 0 404.514 4.959 50 0 HJAARN COc1ccc(-n2nc(C)c3c2nc(C)cc3C(=O)NCc2ccccc2Cl)cc1 ZINC000036617001 569207903 /nfs/dbraw/zinc/20/79/03/569207903.db2.gz NZMYYSPNERDHAK-UHFFFAOYSA-N 0 0 420.900 4.629 50 0 HJAARN CCn1nnc(N[C@@H](c2ccc(F)cc2)P(=O)(OC(C)(C)C)OC(C)(C)C)n1 ZINC000007036557 569208931 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Cc1ccc(NC(=O)N(Cc2ccco2)Cc2cccnc2)c(Br)c1 ZINC000089611852 569261173 /nfs/dbraw/zinc/26/11/73/569261173.db2.gz BHQBFOWIJOJFBH-UHFFFAOYSA-N 0 0 400.276 4.980 50 0 HJAARN C[C@H](OC(=O)c1ncc(Cl)c(Cl)c1Cl)C(=O)Nc1c(F)cccc1F ZINC000016711168 569261395 /nfs/dbraw/zinc/26/13/95/569261395.db2.gz CZLICYXXFCTQRX-LURJTMIESA-N 0 0 409.603 4.504 50 0 HJAARN Cc1cn2c(CN(C)C(=O)c3sc(-c4cccs4)nc3C)c(C)nc2s1 ZINC000089702079 569262666 /nfs/dbraw/zinc/26/26/66/569262666.db2.gz GWNPITXJCKGAJJ-UHFFFAOYSA-N 0 0 402.570 4.778 50 0 HJAARN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc2c(c1)CCCC2 ZINC000016837674 569263880 /nfs/dbraw/zinc/26/38/80/569263880.db2.gz ASSKUVDKJWLOQD-UHFFFAOYSA-N 0 0 403.551 4.833 50 0 HJAARN CC(=O)N1CCc2c(sc(NC(=O)c3ccco3)c2-c2nc3ccccc3s2)C1 ZINC000016890394 569266804 /nfs/dbraw/zinc/26/68/04/569266804.db2.gz VRIIVHZGDRLRMW-UHFFFAOYSA-N 0 0 423.519 4.775 50 0 HJAARN O=C(Nc1ccc(F)cc1)c1nnc(CN(C2CC2)[C@H]2CCc3ccccc32)s1 ZINC000089858134 569267189 /nfs/dbraw/zinc/26/71/89/569267189.db2.gz 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ZINC000016991868 569270756 /nfs/dbraw/zinc/27/07/56/569270756.db2.gz ANWDHKSLJUDPCD-UHFFFAOYSA-N 0 0 424.473 4.967 50 0 HJAARN Cc1nc(-c2ccc(Cl)cc2)sc1CCNS(=O)(=O)c1ccc(F)c(C)c1 ZINC000017011171 569271384 /nfs/dbraw/zinc/27/13/84/569271384.db2.gz OQLYTABATPBALF-UHFFFAOYSA-N 0 0 424.950 4.740 50 0 HJAARN Cc1ccc(S(=O)(=O)[C@H](CNC(=O)c2cccc(Cl)c2)c2cccs2)cc1 ZINC000017043389 569272264 /nfs/dbraw/zinc/27/22/64/569272264.db2.gz BEAJXUMUXWSSJA-LJQANCHMSA-N 0 0 419.955 4.655 50 0 HJAARN Cc1ccc(-c2cnoc2NC(=O)CSc2nc(-c3ccccc3)cc(=O)[nH]2)cc1 ZINC000017051785 569272665 /nfs/dbraw/zinc/27/26/65/569272665.db2.gz RFMUONZZHXPCOO-UHFFFAOYSA-N 0 0 418.478 4.543 50 0 HJAARN CCCCCC(=O)N1CCN(c2cc(Oc3ccc(F)c(Cl)c3)ncn2)C[C@@H]1C ZINC000037356297 569272801 /nfs/dbraw/zinc/27/28/01/569272801.db2.gz ORZHDIWWXKBANA-HNNXBMFYSA-N 0 0 420.916 4.679 50 0 HJAARN Cc1nc(C(C)(C)NC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)sc1C ZINC000170633716 569274828 /nfs/dbraw/zinc/27/48/28/569274828.db2.gz XSVYRVUDGCCQDK-STQMWFEESA-N 0 0 420.554 4.569 50 0 HJAARN CC(C)c1ccc(N(C(=O)c2cccc(C(F)(F)F)c2)[C@@H]2C=CS(=O)(=O)C2)cc1 ZINC000017113641 569274978 /nfs/dbraw/zinc/27/49/78/569274978.db2.gz BLOLOCBTNVRNRT-LJQANCHMSA-N 0 0 423.456 4.786 50 0 HJAARN Cc1ccc(-n2ncc3c2ncnc3NCCc2c[nH]c3ccccc23)cc1Cl ZINC000017120904 569275124 /nfs/dbraw/zinc/27/51/24/569275124.db2.gz KXFCKKVFBNXGBZ-UHFFFAOYSA-N 0 0 402.889 4.913 50 0 HJAARN COc1ccc(-n2nc3nc(NCC(C)C)nc(-c4ccc(Cl)cc4)c3c2N)cc1 ZINC000037357944 569276241 /nfs/dbraw/zinc/27/62/41/569276241.db2.gz KFSPMDUAPQSHDO-UHFFFAOYSA-N 0 0 422.920 4.795 50 0 HJAARN O=C(NCc1c(-c2ccccc2)nc2n1CCS2)c1cccc(C(F)(F)F)c1 ZINC000017191502 569276501 /nfs/dbraw/zinc/27/65/01/569276501.db2.gz XLJBWEJGDWXVKE-UHFFFAOYSA-N 0 0 403.429 4.605 50 0 HJAARN Nc1c2c(nn1Cc1ccccc1)nc(NCc1ccccc1)nc2-c1ccccc1F ZINC000037358266 569276668 /nfs/dbraw/zinc/27/66/68/569276668.db2.gz NJXWOMCZYBEWHM-UHFFFAOYSA-N 0 0 424.483 4.875 50 0 HJAARN Cc1cccc(-n2nc3nc(N4CCC(C)CC4)nc(-c4cccs4)c3c2N)c1 ZINC000037358878 569277480 /nfs/dbraw/zinc/27/74/80/569277480.db2.gz ASJFUPVBCYXIET-UHFFFAOYSA-N 0 0 404.543 4.671 50 0 HJAARN CCOc1ccccc1C(=O)NCCCC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000027124783 569280803 /nfs/dbraw/zinc/28/08/03/569280803.db2.gz YLGZOGOTPHSSJS-SFHVURJKSA-N 0 0 404.510 4.626 50 0 HJAARN CCCc1cc(=O)oc2cc(OCC(=O)c3c(C)n(C)c4ccc(OC)cc43)ccc12 ZINC000002093833 569280807 /nfs/dbraw/zinc/28/08/07/569280807.db2.gz IGJPFIVXHVBTBW-UHFFFAOYSA-N 0 0 419.477 4.816 50 0 biogenic HJAARN CC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000002095881 569280913 /nfs/dbraw/zinc/28/09/13/569280913.db2.gz INFZQDRIPCCQGG-IBGZPJMESA-N 0 0 423.465 4.669 50 0 biogenic HJAARN COC(=O)Cc1c(C)c2ccc(OCc3ccc(Cl)cc3Cl)cc2oc1=O ZINC000002095952 569280973 /nfs/dbraw/zinc/28/09/73/569280973.db2.gz UGCGFPJSZOJPDD-UHFFFAOYSA-N 0 0 407.249 4.703 50 0 biogenic HJAARN O=S(=O)(c1nc(Cc2ccccc2)oc1NCc1ccccc1)c1ccccc1 ZINC000000626221 569281681 /nfs/dbraw/zinc/28/16/81/569281681.db2.gz VUEGLEFNYCFRDP-UHFFFAOYSA-N 0 0 404.491 4.710 50 0 HJAARN COc1ccc(-n2nc3nc(NC4CCCC4)nc(-c4cccc(F)c4)c3c2N)cc1 ZINC000037360495 569283479 /nfs/dbraw/zinc/28/34/79/569283479.db2.gz QVBJRLYZBQWADV-UHFFFAOYSA-N 0 0 418.476 4.567 50 0 HJAARN CCCOc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1OCC ZINC000002110640 569283978 /nfs/dbraw/zinc/28/39/78/569283978.db2.gz YQCUZQHFUZYIQY-QBQQZWISSA-N 0 0 420.553 4.901 50 0 biogenic HJAARN COC(=O)c1ccc(COc2ccc3c(c2)oc(=O)cc3-c2ccc(OC)cc2)cc1 ZINC000002114859 569284478 /nfs/dbraw/zinc/28/44/78/569284478.db2.gz JQEZCARPXKDWAE-UHFFFAOYSA-N 0 0 416.429 4.834 50 0 biogenic HJAARN Cc1ccc(N2C(=O)N(CN3CCC[C@H]3c3nc4ccccc4s3)C(=O)[C@H]2C)cc1 ZINC000252444507 569285966 /nfs/dbraw/zinc/28/59/66/569285966.db2.gz OVKNLOHSZNDDEI-APWZRJJASA-N 0 0 420.538 4.556 50 0 HJAARN COc1ccccc1CCNC(=O)CSCc1coc(-c2ccc(Cl)cc2)n1 ZINC000027194253 569286807 /nfs/dbraw/zinc/28/68/07/569286807.db2.gz MTFSKSGEFBUXAE-UHFFFAOYSA-N 0 0 416.930 4.596 50 0 HJAARN O=S(=O)(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1ccccc1 ZINC000208005940 569286904 /nfs/dbraw/zinc/28/69/04/569286904.db2.gz DFDGHVIIGKNRAK-UHFFFAOYSA-N 0 0 408.508 4.750 50 0 HJAARN CCOC(=O)c1cc(C(=O)c2ccc(C)cc2)n2cnc(-c3ccccc3OC)cc12 ZINC000000637436 569287572 /nfs/dbraw/zinc/28/75/72/569287572.db2.gz FQCHJPDSLWPMIG-UHFFFAOYSA-N 0 0 414.461 4.726 50 0 HJAARN CCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2cnc(-c3ccc(F)cc3)cc12 ZINC000000637413 569287593 /nfs/dbraw/zinc/28/75/93/569287593.db2.gz IIKXVQMYDPPATP-UHFFFAOYSA-N 0 0 406.388 4.687 50 0 HJAARN Nc1c2c(nn1Cc1ccccc1)nc(NCC1CC1)nc2-c1ccc(F)c(Cl)c1 ZINC000037376237 569287989 /nfs/dbraw/zinc/28/79/89/569287989.db2.gz OYTZWUDOKYYPHT-UHFFFAOYSA-N 0 0 422.895 4.738 50 0 HJAARN Cc1c(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)c(=O)n(-c2ccccc2)n1C ZINC000007598520 569287993 /nfs/dbraw/zinc/28/79/93/569287993.db2.gz RZFGXGVZKRADFX-UHFFFAOYSA-N 0 0 421.541 4.580 50 0 HJAARN Cc1ccc(NC(=O)C(=O)NCCC(c2ccccc2)c2ccccc2)cc1Cl ZINC000007598236 569288113 /nfs/dbraw/zinc/28/81/13/569288113.db2.gz JWUKUYWLWJAOOJ-UHFFFAOYSA-N 0 0 406.913 4.925 50 0 HJAARN CCOC(=O)CCc1c(C)c2ccc(OC/C=C/c3ccccc3)c(C)c2oc1=O ZINC000002147149 569289742 /nfs/dbraw/zinc/28/97/42/569289742.db2.gz XCIXDJZYGZDOMS-DHZHZOJOSA-N 0 0 406.478 4.998 50 0 biogenic HJAARN Cc1ccc(NC(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)cc1F ZINC000002146764 569289760 /nfs/dbraw/zinc/28/97/60/569289760.db2.gz LGSMPUCXSYPWSM-UHFFFAOYSA-N 0 0 403.409 4.925 50 0 biogenic HJAARN Cc1c(C)c(=O)oc2cc(OC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)ccc12 ZINC000002147129 569289785 /nfs/dbraw/zinc/28/97/85/569289785.db2.gz BFZHUTDUFVJLEH-FQEVSTJZSA-N 0 0 423.465 4.581 50 0 biogenic HJAARN Cc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)NCCc2ccccc2F)cc1C ZINC000002152292 569290107 /nfs/dbraw/zinc/29/01/07/569290107.db2.gz MIFNLLCQOWFREV-PXLXIMEGSA-N 0 0 422.525 4.634 50 0 HJAARN COc1ccc2c(ccn2CCC(=O)N[C@H](CC(C)C)c2nc3ccccc3[nH]2)c1 ZINC000252498896 569291082 /nfs/dbraw/zinc/29/10/82/569291082.db2.gz RPFZGEHRJHVRFH-OAQYLSRUSA-N 0 0 404.514 4.820 50 0 HJAARN COc1ccc(Cl)cc1-c1nnc(SCc2nnc(-c3ccccc3)o2)o1 ZINC000007604800 569295192 /nfs/dbraw/zinc/29/51/92/569295192.db2.gz LUUREKOEHHTVCO-UHFFFAOYSA-N 0 0 400.847 4.741 50 0 HJAARN CN(C(=O)c1cccc(C(=O)NC(C)(C)CCC(=O)OC(C)(C)C)c1)c1ccccc1 ZINC000170658841 569295521 /nfs/dbraw/zinc/29/55/21/569295521.db2.gz BHNDFQWUIBGITL-UHFFFAOYSA-N 0 0 424.541 4.594 50 0 HJAARN CSc1cccc(NC(=O)CN2c3ccccc3N=C(c3ccccc3)CC2=O)c1 ZINC000007615951 569295797 /nfs/dbraw/zinc/29/57/97/569295797.db2.gz STDPECUITPHQPH-UHFFFAOYSA-N 0 0 415.518 4.905 50 0 HJAARN CCn1c(S[C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)nnc1C1CC1 ZINC000007618195 569295896 /nfs/dbraw/zinc/29/58/96/569295896.db2.gz KADQGFSCYKDGLS-FQEVSTJZSA-N 0 0 422.554 4.965 50 0 HJAARN Cc1cc2nc(Cc3ccc(F)cc3)n([C@H](C)C(=O)NCc3ccccn3)c2cc1C ZINC000037396900 569296305 /nfs/dbraw/zinc/29/63/05/569296305.db2.gz PTIUPVYWTVJQLN-GOSISDBHSA-N 0 0 416.500 4.655 50 0 HJAARN C[C@H](Nc1nc(C(F)(F)F)nc2ccc(Br)cc21)C1CCOCC1 ZINC000170666738 569297467 /nfs/dbraw/zinc/29/74/67/569297467.db2.gz OIZIBZMUNFTNGV-VIFPVBQESA-N 0 0 404.230 4.638 50 0 HJAARN Cc1ccc(C(=O)c2ccccc2C(=O)OCc2cc(=O)oc3cc(C)ccc23)cc1 ZINC000007651434 569298900 /nfs/dbraw/zinc/29/89/00/569298900.db2.gz UBLYVMZKDZFMFX-UHFFFAOYSA-N 0 0 412.441 4.998 50 0 HJAARN CCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000007653534 569299023 /nfs/dbraw/zinc/29/90/23/569299023.db2.gz HFNDMSGMFFGAKA-UHFFFAOYSA-N 0 0 420.962 4.638 50 0 HJAARN CCNC(=O)N(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037442274 569299748 /nfs/dbraw/zinc/29/97/48/569299748.db2.gz PGFSURWIBCSAGA-MRXNPFEDSA-N 0 0 424.303 4.857 50 0 HJAARN Cc1nnc(-c2cc(C3CC3)n(-c3cccc(C(=O)N[C@@H]4CCC[C@H](C)[C@@H]4C)c3)n2)o1 ZINC000037452329 569299821 /nfs/dbraw/zinc/29/98/21/569299821.db2.gz BTTRVCKKCZAQKA-AUSJPIAWSA-N 0 0 419.529 4.663 50 0 HJAARN Cc1ccc(-c2csc3ncn(CC(=O)NCCC4=CCCCC4)c(=O)c23)s1 ZINC000007671935 569299958 /nfs/dbraw/zinc/29/99/58/569299958.db2.gz QPPYNBHLUALVBK-UHFFFAOYSA-N 0 0 413.568 4.502 50 0 HJAARN C[C@@H](NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)c1cc2ccccc2o1 ZINC000007692188 569301126 /nfs/dbraw/zinc/30/11/26/569301126.db2.gz QIBSNKYXXMJWCI-OAHLLOKOSA-N 0 0 418.522 4.860 50 0 HJAARN Cc1cc(NC(=O)CSc2nnc(C)n2C2CCCCC2)n(-c2ccc(C)cc2)n1 ZINC000007719487 569302169 /nfs/dbraw/zinc/30/21/69/569302169.db2.gz VQDHYZQMDKAFRS-UHFFFAOYSA-N 0 0 424.574 4.625 50 0 HJAARN C[C@@H]1C(=O)N(c2ccccc2-c2ccccc2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000037520941 569302964 /nfs/dbraw/zinc/30/29/64/569302964.db2.gz PUMOYIPMBBAQIW-QGZVFWFLSA-N 0 0 404.897 4.885 50 0 HJAARN CC(C)(C)c1ccc(OCC(=O)OCc2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000007736257 569304913 /nfs/dbraw/zinc/30/49/13/569304913.db2.gz MSYNSRYOGMCZJB-UHFFFAOYSA-N 0 0 404.890 4.921 50 0 HJAARN O=C(Nc1ccc(N2CCCN(Cc3ccc(F)c(F)c3)C2=O)cc1)C1CCCC1 ZINC000037545142 569305516 /nfs/dbraw/zinc/30/55/16/569305516.db2.gz RSNGMLFQEQYUNU-UHFFFAOYSA-N 0 0 413.468 4.926 50 0 HJAARN COc1cccc(Cn2c(C(=O)NCC(C)C)cc3sc(Br)cc32)c1 ZINC000037542141 569305688 /nfs/dbraw/zinc/30/56/88/569305688.db2.gz QGUJMZPEKFLQOM-UHFFFAOYSA-N 0 0 421.360 4.908 50 0 HJAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1CCC(=O)NCC(C)C ZINC000037546980 569305700 /nfs/dbraw/zinc/30/57/00/569305700.db2.gz IOVJFSFSDAPNBD-UHFFFAOYSA-N 0 0 413.468 4.956 50 0 HJAARN CCCCNC(=O)N1C[C@H](C(=O)NCc2ccccc2)CC[C@@H]1c1cccc(C)c1 ZINC000037546535 569305823 /nfs/dbraw/zinc/30/58/23/569305823.db2.gz ZJHCQGMDGFLUBC-DHIUTWEWSA-N 0 0 407.558 4.574 50 0 HJAARN COc1ccc(-n2nc(C)c(CCC(=O)NCC3CC3)c2Oc2ccc(F)cc2)cc1 ZINC000037546822 569305894 /nfs/dbraw/zinc/30/58/94/569305894.db2.gz HEMDAEQBUDCZDL-UHFFFAOYSA-N 0 0 423.488 4.580 50 0 HJAARN Cc1ccccc1C(=O)N(Cc1ccccc1)c1ccc(CC(=O)NC(C)C)cc1 ZINC000037555380 569306364 /nfs/dbraw/zinc/30/63/64/569306364.db2.gz DANFQEJKTCCKLR-UHFFFAOYSA-N 0 0 400.522 4.909 50 0 HJAARN COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2cc(C)sc2C)cs1 ZINC000007763261 569307632 /nfs/dbraw/zinc/30/76/32/569307632.db2.gz YUSDJDCGLXWADZ-UHFFFAOYSA-N 0 0 416.524 4.872 50 0 HJAARN C[C@@H](OC(=O)CSc1ccc(F)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000007778328 569308866 /nfs/dbraw/zinc/30/88/66/569308866.db2.gz OGXJICRRQJBJQZ-CYBMUJFWSA-N 0 0 416.499 4.612 50 0 HJAARN O=C(Nc1nc(-c2c[nH]c3ccccc32)cs1)c1cc(Cl)c2c(c1)OCCO2 ZINC000007778662 569308958 /nfs/dbraw/zinc/30/89/58/569308958.db2.gz MEZNXGVUVOPDJW-UHFFFAOYSA-N 0 0 411.870 4.968 50 0 HJAARN CCC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)NCCc2ccccc2)c1 ZINC000037601449 569309330 /nfs/dbraw/zinc/30/93/30/569309330.db2.gz JEGSWNWRFXWPGZ-UHFFFAOYSA-N 0 0 418.512 4.670 50 0 HJAARN CCc1ccc(Cl)c(CC)c1NC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 ZINC000007801630 569311599 /nfs/dbraw/zinc/31/15/99/569311599.db2.gz DIQPSBIHDZYZCO-UHFFFAOYSA-N 0 0 422.978 4.748 50 0 HJAARN CCOc1ccc2oc(C(=O)N3CCN(c4ccccc4OCC)CC3)c(C)c2c1 ZINC000007847291 569314417 /nfs/dbraw/zinc/31/44/17/569314417.db2.gz IAPKJRNTRMYVQH-UHFFFAOYSA-N 0 0 408.498 4.501 50 0 HJAARN COc1cc(OC)c([C@@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)cc1OC ZINC000007884587 569315159 /nfs/dbraw/zinc/31/51/59/569315159.db2.gz ICQSJBYRWUGLGF-XMMPIXPASA-N 0 0 418.493 4.522 50 0 HJAARN O=C1c2ccccc2N[C@H](c2cn(Cc3ccccc3)nc2-c2cccnc2)N1C1CC1 ZINC000007886344 569315257 /nfs/dbraw/zinc/31/52/57/569315257.db2.gz PPDAUDAXLQPQGR-VWLOTQADSA-N 0 0 421.504 4.722 50 0 HJAARN COc1ccc([C@H](CNC(=O)COc2ccccc2C)c2c[nH]c3ccccc32)cc1 ZINC000007890047 569315394 /nfs/dbraw/zinc/31/53/94/569315394.db2.gz ZAFOTLLTCMCNQD-QFIPXVFZSA-N 0 0 414.505 4.812 50 0 HJAARN O=c1c(=Cc2ccccc2OCc2ccccc2Cl)sc2nc3ccccc3n12 ZINC000252666151 569319013 /nfs/dbraw/zinc/31/90/13/569319013.db2.gz AQAGZWYPCDKLHT-UHFFFAOYSA-N 0 0 418.905 4.689 50 0 HJAARN CCCCCCSc1nc2ccc(I)cc2c(=O)n1CC ZINC000002232037 569319966 /nfs/dbraw/zinc/31/99/66/569319966.db2.gz LYNJGAXQDUVJSQ-UHFFFAOYSA-N 0 0 416.328 4.693 50 0 HJAARN Cc1cc(C)cc(NC(=O)CSc2nnc3c4c5c(sc4ncn23)CCCC5)c1 ZINC000000925303 569321929 /nfs/dbraw/zinc/32/19/29/569321929.db2.gz SQHWZYCVWXXXPA-UHFFFAOYSA-N 0 0 423.567 4.565 50 0 HJAARN 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406.294 4.957 50 0 HJAARN Brc1ccc(CSc2ncnc3c2cnn3Cc2ccccc2)cc1 ZINC000002446283 569401338 /nfs/dbraw/zinc/40/13/38/569401338.db2.gz KBXRFAJWPNTBDH-UHFFFAOYSA-N 0 0 411.328 4.929 50 0 HJAARN Cc1sc2nc(SCC(=O)c3ccc(C)cc3)n(Cc3ccco3)c(=O)c2c1C ZINC000012583960 569401956 /nfs/dbraw/zinc/40/19/56/569401956.db2.gz WKJPUDIPEQIMHO-UHFFFAOYSA-N 0 0 424.547 5.000 50 0 HJAARN CC1=C[C@H](C)[C@]2(COC(=O)NC(C)C)CO[C@@H](c3ccc(N(C)C)cc3)[C@H]1[C@H]2C ZINC000012656671 569402430 /nfs/dbraw/zinc/40/24/30/569402430.db2.gz MATUOSYEEAMWHP-RUSOLKKISA-N 0 0 400.563 4.793 50 0 biogenic HJAARN CCC(=O)OC[C@@]12CO[C@H](c3ccccc3OC(=O)CC)[C@@H](C(C)=C[C@@H]1C)[C@@H]2C ZINC000012660497 569402638 /nfs/dbraw/zinc/40/26/38/569402638.db2.gz SILOCWNFXQCZOK-JEUWSDKYSA-N 0 0 400.515 4.861 50 0 biogenic HJAARN CCOc1cc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)ccc1O ZINC000012736452 569402919 /nfs/dbraw/zinc/40/29/19/569402919.db2.gz OGQBSOBFAVRPBB-ZROIWOOFSA-N 0 0 419.865 4.771 50 0 HJAARN 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ZINC000009515463 571264887 /nfs/dbraw/zinc/26/48/87/571264887.db2.gz IGUHWCXAWJMUSU-UHFFFAOYSA-N 0 0 417.490 4.514 50 0 HJAARN O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1cc(-c2ccccc2)on1 ZINC000009531718 571267019 /nfs/dbraw/zinc/26/70/19/571267019.db2.gz ZQOJXPHAPIEOPP-SANMLTNESA-N 0 0 423.472 4.532 50 0 HJAARN Cc1ccc(-c2csc(NC(=O)C3CCN(C(=O)c4ccccc4C)CC3)n2)cc1 ZINC000009544356 571267573 /nfs/dbraw/zinc/26/75/73/571267573.db2.gz NEOASUDRMUKHKE-UHFFFAOYSA-N 0 0 419.550 4.918 50 0 HJAARN O=C(CSc1nncn1-c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000009562320 571268457 /nfs/dbraw/zinc/26/84/57/571268457.db2.gz HUGUHHYFPNEOFN-UHFFFAOYSA-N 0 0 412.824 4.670 50 0 HJAARN Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000009562183 571268520 /nfs/dbraw/zinc/26/85/20/571268520.db2.gz WMGWOZLJDWXWMW-UHFFFAOYSA-N 0 0 421.880 4.983 50 0 HJAARN COc1ccc(-c2cn3c(C)c(C(=O)NCc4ccc(Cl)cc4)sc3n2)cc1 ZINC000009569655 571268750 /nfs/dbraw/zinc/26/87/50/571268750.db2.gz CGKNKGXRWWJYFP-UHFFFAOYSA-N 0 0 411.914 4.963 50 0 HJAARN COc1ccc(-c2cc(=O)c3cc(NS(=O)(=O)c4ccc(C)cc4)ccc3o2)cc1 ZINC000009572633 571269271 /nfs/dbraw/zinc/26/92/71/571269271.db2.gz XWAAUCHKGRERBN-UHFFFAOYSA-N 0 0 421.474 4.578 50 0 biogenic HJAARN Brc1ccccc1-c1nnc2sc(-c3ccc4ccccc4n3)nn21 ZINC000009575828 571269681 /nfs/dbraw/zinc/26/96/81/571269681.db2.gz SVTRYSXSMJDOHV-UHFFFAOYSA-N 0 0 408.284 4.831 50 0 HJAARN CC(=O)N1N=C(COc2ccccc2C)O[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000009585590 571271305 /nfs/dbraw/zinc/27/13/05/571271305.db2.gz UFZNNPWGAXGJMJ-VWLOTQADSA-N 0 0 416.477 4.844 50 0 HJAARN Cn1ccc2c1cccc2C(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000070666565 571272235 /nfs/dbraw/zinc/27/22/35/571272235.db2.gz BLWALLMIHMSNGU-UHFFFAOYSA-N 0 0 408.299 4.621 50 0 biogenic HJAARN O=C(OCCCC(=O)c1ccc(Br)cc1)c1ccc(Br)o1 ZINC000009597070 571272521 /nfs/dbraw/zinc/27/25/21/571272521.db2.gz PNIXDSBHQIXUKN-UHFFFAOYSA-N 0 0 416.065 4.625 50 0 HJAARN O=c1c2sccc2n(Cc2ccccc2Cl)c(=O)n1-c1ccc(F)c(Cl)c1 ZINC000009598642 571272606 /nfs/dbraw/zinc/27/26/06/571272606.db2.gz ALBNOUSAVGNDSF-UHFFFAOYSA-N 0 0 421.280 4.708 50 0 HJAARN Cc1ccc2oc(=O)c3cc(C(=O)N(Cc4ccco4)C[C@@H]4CCCO4)sc3c2c1 ZINC000009611202 571273610 /nfs/dbraw/zinc/27/36/10/571273610.db2.gz QVZFZAWCIGLWAH-INIZCTEOSA-N 0 0 423.490 4.731 50 0 HJAARN Cc1cc(C(=O)COC(=O)c2ccccc2OCc2c(C)noc2C)c(C)n1C1CC1 ZINC000009619352 571274171 /nfs/dbraw/zinc/27/41/71/571274171.db2.gz UUIZKXPUBHDDCO-UHFFFAOYSA-N 0 0 422.481 4.663 50 0 HJAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000009619742 571274187 /nfs/dbraw/zinc/27/41/87/571274187.db2.gz GLSHSDZLWUNBMW-LJQANCHMSA-N 0 0 424.526 4.670 50 0 HJAARN Cc1ccc(NC(=O)Nc2nc(CC(=O)Nc3cccc(Cl)c3)cs2)cc1 ZINC000009625316 571274432 /nfs/dbraw/zinc/27/44/32/571274432.db2.gz QJOMZDWGIAJEQI-UHFFFAOYSA-N 0 0 400.891 4.930 50 0 HJAARN O=C(Nc1ccnn1Cc1ccncc1)c1cccnc1Sc1ccccc1Cl ZINC000009635542 571275184 /nfs/dbraw/zinc/27/51/84/571275184.db2.gz SELWXDJSXFNKSD-UHFFFAOYSA-N 0 0 421.913 4.778 50 0 HJAARN OCc1cnc(SCc2cccc3ccccc32)n1Cc1ccc2c(c1)OCO2 ZINC000009650425 571276732 /nfs/dbraw/zinc/27/67/32/571276732.db2.gz DTYOZOFDOJOKEU-UHFFFAOYSA-N 0 0 404.491 4.598 50 0 HJAARN COc1ccc(Nc2nnc(SCC(=O)Nc3ccc(F)cc3Cl)s2)cc1 ZINC000009663410 571277818 /nfs/dbraw/zinc/27/78/18/571277818.db2.gz CTWXLGJINYWGKQ-UHFFFAOYSA-N 0 0 424.910 4.814 50 0 HJAARN CCCCn1nc(C(=O)Nc2ccc3nc(SC)sc3c2)c2ccccc2c1=O ZINC000009665507 571278034 /nfs/dbraw/zinc/27/80/34/571278034.db2.gz LKWGJRKXTPIDPQ-UHFFFAOYSA-N 0 0 424.551 4.781 50 0 HJAARN COc1ccc(CC(=O)n2nc(-c3cccs3)nc2NCc2cccs2)cc1 ZINC000009667668 571278120 /nfs/dbraw/zinc/27/81/20/571278120.db2.gz WLQCSIOKQGSWKG-UHFFFAOYSA-N 0 0 410.524 4.572 50 0 HJAARN Cc1cc2c(cc1S(=O)(=O)N1c3ccccc3C[C@H]1C)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000009685562 571279864 /nfs/dbraw/zinc/27/98/64/571279864.db2.gz BEOPVEWILQZWAV-OAHLLOKOSA-N 0 0 422.550 4.771 50 0 HJAARN O=C(CSc1ccc2c(c1)OCCO2)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000009714130 571281477 /nfs/dbraw/zinc/28/14/77/571281477.db2.gz RFOKECCKWMLARX-UHFFFAOYSA-N 0 0 423.519 4.565 50 0 HJAARN CCOC(=O)c1ccccc1NC(=O)NCc1cccn1Cc1cc(C)ccc1C ZINC000009722735 571281951 /nfs/dbraw/zinc/28/19/51/571281951.db2.gz MCGXYQSNRIIHTP-UHFFFAOYSA-N 0 0 405.498 4.652 50 0 HJAARN COc1ccccc1-c1noc(CSc2nnc(-c3ccccc3F)n2C2CC2)n1 ZINC000009729754 571282775 /nfs/dbraw/zinc/28/27/75/571282775.db2.gz MUUMHULQUWGURQ-UHFFFAOYSA-N 0 0 423.473 4.770 50 0 HJAARN COc1ccc(S(=O)(=O)NCCSCc2ccccc2C)c(Cl)c1Cl ZINC000009763316 571284818 /nfs/dbraw/zinc/28/48/18/571284818.db2.gz RPENRHSDBLHXDG-UHFFFAOYSA-N 0 0 420.383 4.522 50 0 HJAARN CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2c[nH]c3ccccc32)o1 ZINC000009793195 571285570 /nfs/dbraw/zinc/28/55/70/571285570.db2.gz AYYKJQFOTBUXJA-UHFFFAOYSA-N 0 0 418.931 4.684 50 0 HJAARN Cc1nnc(NC(=O)c2sc3nc4c(cc3c2N)C[C@H](c2ccccc2)CC4)s1 ZINC000009804783 571285828 /nfs/dbraw/zinc/28/58/28/571285828.db2.gz OTZYBEZTMXVUDF-CYBMUJFWSA-N 0 0 421.551 4.563 50 0 HJAARN O=C(NCc1ccccc1OC(F)(F)F)c1ccc(COCC(F)(F)F)cc1 ZINC000009806111 571285925 /nfs/dbraw/zinc/28/59/25/571285925.db2.gz WBHGCOZOQCINHI-UHFFFAOYSA-N 0 0 407.310 4.594 50 0 HJAARN Fc1ccc(CSc2nnc3ccc(-c4ccc(Br)cc4)nn32)cc1 ZINC000009829117 571287208 /nfs/dbraw/zinc/28/72/08/571287208.db2.gz OIJFDEYZUALXDH-UHFFFAOYSA-N 0 0 415.291 4.985 50 0 HJAARN C[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)NCc1ccco1 ZINC000009864821 571288894 /nfs/dbraw/zinc/28/88/94/571288894.db2.gz GPOIBXLPMQEOFY-INIZCTEOSA-N 0 0 416.506 4.596 50 0 HJAARN C[C@H](NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccco1 ZINC000009864795 571288919 /nfs/dbraw/zinc/28/89/19/571288919.db2.gz UYDBKGVOITUPRP-INIZCTEOSA-N 0 0 416.506 4.768 50 0 HJAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1cccc(F)c1 ZINC000009892141 571289712 /nfs/dbraw/zinc/28/97/12/571289712.db2.gz LEHBZKLSGFDHSW-UHFFFAOYSA-N 0 0 421.453 4.769 50 0 HJAARN Cc1nc(NC2CCCCC2)sc1C(=O)NCc1ccc(Br)cc1 ZINC000071326698 571291788 /nfs/dbraw/zinc/29/17/88/571291788.db2.gz CNVHIFLBJHMRJW-UHFFFAOYSA-N 0 0 408.365 4.889 50 0 HJAARN CCN(C(=O)CN1C(=O)C(c2ccccc2)=NC12CCC(C)CC2)c1cccc(C)c1 ZINC000071327856 571292317 /nfs/dbraw/zinc/29/23/17/571292317.db2.gz NUQISSYOBDYDOG-UHFFFAOYSA-N 0 0 417.553 4.586 50 0 HJAARN CSc1cccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCC(C)CC3)c1 ZINC000071327884 571292368 /nfs/dbraw/zinc/29/23/68/571292368.db2.gz WZTFPSKRWBJKJP-UHFFFAOYSA-N 0 0 421.566 4.585 50 0 HJAARN Cc1cccc(-c2nc3ccccc3c(=O)n2CC(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000010013003 571294056 /nfs/dbraw/zinc/29/40/56/571294056.db2.gz OMJBALQVXOHDNQ-UHFFFAOYSA-N 0 0 421.859 4.803 50 0 HJAARN O=C(Nc1ccccc1OCC(F)(F)F)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000010115670 571295319 /nfs/dbraw/zinc/29/53/19/571295319.db2.gz WCEXNEFCLZXCJV-UHFFFAOYSA-N 0 0 421.419 4.510 50 0 HJAARN COc1cccc(C(=O)N(Cc2ccccn2)c2nc3c(cccc3F)s2)c1OC ZINC000010187589 571296084 /nfs/dbraw/zinc/29/60/84/571296084.db2.gz KGNCHWQAMBVDIO-UHFFFAOYSA-N 0 0 423.469 4.695 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O ZINC000010188120 571296366 /nfs/dbraw/zinc/29/63/66/571296366.db2.gz OCSJSLRLNUPVLI-UHFFFAOYSA-N 0 0 421.859 4.798 50 0 HJAARN O[C@H](COc1ccc2ccccc2c1)CSc1nnc2c(Cl)cc(Cl)cn12 ZINC000010202619 571296480 /nfs/dbraw/zinc/29/64/80/571296480.db2.gz OUQWOUYKRBCFJF-OAHLLOKOSA-N 0 0 420.321 4.721 50 0 HJAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1c(Cl)cccc1Cl ZINC000010238800 571297832 /nfs/dbraw/zinc/29/78/32/571297832.db2.gz GAFRAPQCQLABOA-UHFFFAOYSA-N 0 0 417.745 4.836 50 0 HJAARN COc1cc(OC)cc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1 ZINC000010235657 571297856 /nfs/dbraw/zinc/29/78/56/571297856.db2.gz GBWQUNSRWKYZRT-UHFFFAOYSA-N 0 0 416.930 4.987 50 0 HJAARN COc1ccc(-c2csc(NC(=O)Cc3ccc(SC)cc3)n2)cc1OC ZINC000010252278 571298342 /nfs/dbraw/zinc/29/83/42/571298342.db2.gz ZVEKAGDWTSLWKF-UHFFFAOYSA-N 0 0 400.525 4.730 50 0 HJAARN Cc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)C(C)C)c3)n2)cc1C ZINC000010253376 571298494 /nfs/dbraw/zinc/29/84/94/571298494.db2.gz LLCPDLOZLOYQTK-UHFFFAOYSA-N 0 0 414.552 4.861 50 0 HJAARN CC(C)c1ccc([C@H]2Oc3ccccc3C3=Nc4nnnn4[C@@H](c4cccnc4)C32)cc1 ZINC000010337012 571301094 /nfs/dbraw/zinc/30/10/94/571301094.db2.gz POKUNDDUCOLHGT-BJKOFHAPSA-N 0 0 422.492 4.751 50 0 HJAARN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1[nH]nc(C2CC2)c1Br ZINC000071844372 571303297 /nfs/dbraw/zinc/30/32/97/571303297.db2.gz GBZNRRJITPGESL-CVEARBPZSA-N 0 0 402.336 4.848 50 0 HJAARN COc1ccc(-c2nc(CC(=O)Nc3nc4ccccc4s3)cs2)cc1OC ZINC000013731087 571308848 /nfs/dbraw/zinc/30/88/48/571308848.db2.gz UBRGZHKYTRVZII-UHFFFAOYSA-N 0 0 411.508 4.618 50 0 HJAARN COc1ccccc1C(=O)NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000009360189 571309575 /nfs/dbraw/zinc/30/95/75/571309575.db2.gz HKORAXLLCAXMBK-UHFFFAOYSA-N 0 0 403.916 4.599 50 0 HJAARN Cc1cc(C(F)(F)F)nc(CCNC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1 ZINC000077101107 571311504 /nfs/dbraw/zinc/31/15/04/571311504.db2.gz OOKONZORLBHUJL-UHFFFAOYSA-N 0 0 411.855 4.628 50 0 HJAARN O=C(NC1(c2nc(-c3ccsc3)no2)CCCCC1)c1ccc2ccccc2n1 ZINC000077197565 571312516 /nfs/dbraw/zinc/31/25/16/571312516.db2.gz RKLQXQNKOQSQND-UHFFFAOYSA-N 0 0 404.495 4.936 50 0 HJAARN Cc1c(C)n(-c2ccc(F)cc2)c2nc(C)nc(Nc3ccc4c(c3)OCCO4)c12 ZINC000033252596 571315972 /nfs/dbraw/zinc/31/59/72/571315972.db2.gz JVXWOZMKAKHBRX-UHFFFAOYSA-N 0 0 404.445 5.000 50 0 HJAARN O=C1[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3)N2C(=S)N1c1ccccc1 ZINC000001130750 291280721 /nfs/dbraw/zinc/28/07/21/291280721.db2.gz LXOZEAWFTNVFPH-FYYLOGMGSA-N 0 0 409.514 4.816 50 0 biogenic,in-vitro HJAARN O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)N1CCCc2ccccc21 ZINC000000646543 132229906 /nfs/dbraw/zinc/22/99/06/132229906.db2.gz JXSNAYBCMUPFBX-UHFFFAOYSA-N 0 0 419.428 4.827 50 0 HJAARN Cc1nc2sc3c(c2c(N2CCN(c4cccc(C(F)(F)F)c4)CC2)n1)CCC3 ZINC000000715690 132231621 /nfs/dbraw/zinc/23/16/21/132231621.db2.gz QAJBSPSYFLGVIB-UHFFFAOYSA-N 0 0 418.488 4.834 50 0 HJAARN O=C(c1cc2sccc2n1Cc1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000001361100 132244699 /nfs/dbraw/zinc/24/46/99/132244699.db2.gz XGJXAVDRYJOJQC-UHFFFAOYSA-N 0 0 401.535 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/nfs/dbraw/zinc/15/87/50/557158750.db2.gz YSJKQQQEGMRIGR-UHFFFAOYSA-N 0 0 414.461 4.528 50 0 aggregator HJAARN Cc1sc(NC(=O)Cc2c(F)cccc2Cl)c(C(N)=O)c1-c1ccccc1 ZINC000001056011 557161561 /nfs/dbraw/zinc/16/15/61/557161561.db2.gz ALVRQVBMBQBVSA-UHFFFAOYSA-N 0 0 402.878 4.796 50 0 HJAARN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCC2=CCCCC2)ccc1C ZINC000001060206 557163355 /nfs/dbraw/zinc/16/33/55/557163355.db2.gz JOVNBBKYUGYGPP-UHFFFAOYSA-N 0 0 412.555 4.725 50 0 HJAARN COc1cc(NC(=O)COc2ccc(Cl)cc2)ccc1NC(=O)c1cccs1 ZINC000001068065 557167280 /nfs/dbraw/zinc/16/72/80/557167280.db2.gz RUVNFUKJQNOCHE-UHFFFAOYSA-N 0 0 416.886 4.680 50 0 HJAARN O=c1cc(CSc2nnc(-c3ccco3)n2-c2ccccc2)c2ccccc2[nH]1 ZINC000001069465 557168442 /nfs/dbraw/zinc/16/84/42/557168442.db2.gz WGCWKAJLCYOSDF-UHFFFAOYSA-N 0 0 400.463 4.661 50 0 HJAARN COc1ccc(CC(=O)N[C@@H](c2ccccc2)c2ccc(Br)cc2)cc1 ZINC000001071933 557170071 /nfs/dbraw/zinc/17/00/71/557170071.db2.gz UENBYBOBQKXKCA-QFIPXVFZSA-N 0 0 410.311 4.906 50 0 HJAARN Cc1c(C)c(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)ccc1Br ZINC000001072332 557170316 /nfs/dbraw/zinc/17/03/16/557170316.db2.gz RLXFRESIRKLQMW-CYBMUJFWSA-N 0 0 421.722 4.711 50 0 HJAARN O=C(NC[C@@H]1CCC[C@@H](CNC(=O)c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1 ZINC000001095597 557178133 /nfs/dbraw/zinc/17/81/33/557178133.db2.gz HHMNNWQPOVHKQC-HZPDHXFCSA-N 0 0 419.352 4.960 50 0 HJAARN CCOC(=O)c1ccc(NC(=S)N2CCS[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000001101463 557179091 /nfs/dbraw/zinc/17/90/91/557179091.db2.gz RBWUSPJCTRYZMD-QGZVFWFLSA-N 0 0 406.960 4.961 50 0 HJAARN COC(=O)c1c(C)c(C(C)=O)sc1NC(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C ZINC000001107931 557180953 /nfs/dbraw/zinc/18/09/53/557180953.db2.gz BJNZYNXKIRYYLW-CABZTGNLSA-N 0 0 404.315 4.575 50 0 HJAARN NC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000001112119 557184341 /nfs/dbraw/zinc/18/43/41/557184341.db2.gz MMVBUTSADQVERJ-UHFFFAOYSA-N 0 0 407.882 4.968 50 0 HJAARN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)cc1 ZINC000001112903 557184816 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COC(=O)c1c(C)c(C(C)=O)sc1NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000001134204 557200306 /nfs/dbraw/zinc/20/03/06/557200306.db2.gz MMDNVZLWXLVBCF-ZDUSSCGKSA-N 0 0 423.918 4.722 50 0 HJAARN CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@H]1c1ccc(OC2CCCC2)cc1 ZINC000001141096 557204156 /nfs/dbraw/zinc/20/41/56/557204156.db2.gz MJIXNSDRGJLOOT-QFIPXVFZSA-N 0 0 422.550 4.501 50 0 HJAARN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ncc2c(n1)C[C@@H](c1ccco1)CC2=O ZINC000001142555 557205337 /nfs/dbraw/zinc/20/53/37/557205337.db2.gz MRINKEFPUDHNGE-SNVBAGLBSA-N 0 0 417.252 4.933 50 0 HJAARN CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)C=Cc2ccc(C(C)C)cc2)c1 ZINC000001147956 557209117 /nfs/dbraw/zinc/20/91/17/557209117.db2.gz VTFWETCIHSWTMW-JLHYYAGUSA-N 0 0 409.555 4.931 50 0 HJAARN CCOc1cc(C=O)cc(I)c1OCc1cccc(Cl)c1 ZINC000001151746 557211358 /nfs/dbraw/zinc/21/13/58/557211358.db2.gz IFQOTEQKTMCTJD-UHFFFAOYSA-N 0 0 416.642 4.735 50 0 HJAARN CCCc1oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2c1C(=O)OCC ZINC000001154888 557213185 /nfs/dbraw/zinc/21/31/85/557213185.db2.gz ALRKHTJJRQKWNT-UHFFFAOYSA-N 0 0 405.447 4.502 50 0 HJAARN Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3Cl)o2)cc1C ZINC000001156340 557214018 /nfs/dbraw/zinc/21/40/18/557214018.db2.gz IDJYKFZOSWGHDH-UHFFFAOYSA-N 0 0 403.891 4.650 50 0 HJAARN COc1ccc2oc(=O)c(C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2c1 ZINC000001158724 557216311 /nfs/dbraw/zinc/21/63/11/557216311.db2.gz OFFONCLQHCKYLI-UHFFFAOYSA-N 0 0 401.418 4.633 50 0 HJAARN O=C1N/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N1Cc1ccc(Br)cc1 ZINC000001161264 557218515 /nfs/dbraw/zinc/21/85/15/557218515.db2.gz MFPWFUXXPQCICT-LDADJPATSA-N 0 0 423.266 4.802 50 0 HJAARN Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2cccc3ccccc32)c(C)c1 ZINC000001162309 557219111 /nfs/dbraw/zinc/21/91/11/557219111.db2.gz UGDSSONNUWEYAB-QFIPXVFZSA-N 0 0 401.535 4.888 50 0 HJAARN CCc1ccccc1NCN1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000001163348 557219323 /nfs/dbraw/zinc/21/93/23/557219323.db2.gz MZCWECSQIUEZLB-OVKIHRCZSA-N 0 0 408.501 4.511 50 0 HJAARN CCOc1ccc(C(=O)Nc2ccccc2I)cc1Cl ZINC000001166547 557221155 /nfs/dbraw/zinc/22/11/55/557221155.db2.gz DOBFPRCSCDFWEE-UHFFFAOYSA-N 0 0 401.631 4.596 50 0 HJAARN COc1ccc(C2(C(=O)Nc3ccc(Br)cc3)CCCC2)cc1OC ZINC000001166701 557221196 /nfs/dbraw/zinc/22/11/96/557221196.db2.gz SUVLWRYTMVVYEV-UHFFFAOYSA-N 0 0 404.304 4.917 50 0 HJAARN O=C(NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1cccs1 ZINC000001172673 557225050 /nfs/dbraw/zinc/22/50/50/557225050.db2.gz LQRLBCAJWDPTSI-UHFFFAOYSA-N 0 0 406.488 4.648 50 0 HJAARN COc1cccc(C(=O)NC(=S)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000001173309 557225481 /nfs/dbraw/zinc/22/54/81/557225481.db2.gz WEDBUSRADLVZEL-UHFFFAOYSA-N 0 0 403.916 4.599 50 0 HJAARN O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1)c1cc2ccccc2o1 ZINC000001175613 557227542 /nfs/dbraw/zinc/22/75/42/557227542.db2.gz XYLPSKFZJUUNGA-UHFFFAOYSA-N 0 0 415.474 4.812 50 0 HJAARN O=C(Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1ccc(Br)o1 ZINC000001176735 557228152 /nfs/dbraw/zinc/22/81/52/557228152.db2.gz YFEWYZLZGZAAEA-UHFFFAOYSA-N 0 0 409.623 4.793 50 0 HJAARN O=C(Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)c1cccc(Br)c1 ZINC000001178366 557229069 /nfs/dbraw/zinc/22/90/69/557229069.db2.gz KPBPXOSMTRGMPV-UHFFFAOYSA-N 0 0 421.250 4.870 50 0 HJAARN CCOC(=O)c1ccc(NC(=O)c2c(C)onc2-c2c(F)cccc2Cl)cc1 ZINC000001179248 557229249 /nfs/dbraw/zinc/22/92/49/557229249.db2.gz NPIZOPRYHQNXDZ-UHFFFAOYSA-N 0 0 402.809 4.872 50 0 HJAARN CCOC(=O)c1cccc(NC(=O)c2c(C)onc2-c2c(F)cccc2Cl)c1 ZINC000001179380 557229324 /nfs/dbraw/zinc/22/93/24/557229324.db2.gz GPEDJCBVDWIANY-UHFFFAOYSA-N 0 0 402.809 4.872 50 0 HJAARN Cc1ccc(OCC(=O)NC(=S)Nc2cc(C(C)(C)C)ccc2O)c(Cl)c1 ZINC000001180595 557230501 /nfs/dbraw/zinc/23/05/01/557230501.db2.gz IEDBSXUQRDFVGJ-UHFFFAOYSA-N 0 0 406.935 4.544 50 0 HJAARN Cc1ccc(O)c(NC(=S)NC(=O)c2cccc3c(Br)cccc23)c1 ZINC000001181446 557231172 /nfs/dbraw/zinc/23/11/72/557231172.db2.gz VXYNEJUABHWJCD-UHFFFAOYSA-N 0 0 415.312 4.743 50 0 HJAARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)c(Cl)c2)N2C(=O)CCSC2=N1 ZINC000001182286 557231757 /nfs/dbraw/zinc/23/17/57/557231757.db2.gz VMKONLATBPCXNZ-INIZCTEOSA-N 0 0 413.326 4.595 50 0 HJAARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cccc(Br)c1 ZINC000001185453 557233540 /nfs/dbraw/zinc/23/35/40/557233540.db2.gz KDDRZMAPSOGPSM-UHFFFAOYSA-N 0 0 407.271 4.744 50 0 HJAARN CCN(CC)c1ccc(NC(=O)/C=C/c2cc(Br)ccc2OC)cc1 ZINC000001187255 557234774 /nfs/dbraw/zinc/23/47/74/557234774.db2.gz IYGBZEREFCDTOY-AWNIVKPZSA-N 0 0 403.320 4.956 50 0 HJAARN CCC(=O)N1N=C2c3cc(OC)ccc3CC[C@@H]2[C@@H]1c1ccc(Br)cc1 ZINC000001189179 557235581 /nfs/dbraw/zinc/23/55/81/557235581.db2.gz NFJOKOXIFQRDMH-UWJYYQICSA-N 0 0 413.315 4.718 50 0 HJAARN CCC(=O)N1N=C2c3cc(OC)ccc3CC[C@@H]2[C@H]1c1ccc(Br)cc1 ZINC000001189181 557235607 /nfs/dbraw/zinc/23/56/07/557235607.db2.gz NFJOKOXIFQRDMH-LAUBAEHRSA-N 0 0 413.315 4.718 50 0 HJAARN COc1ccc(/C=C2\N=C(c3cccs3)OC2=O)cc1OCc1ccc(C)cc1 ZINC000001193083 557236951 /nfs/dbraw/zinc/23/69/51/557236951.db2.gz WZFQKUSYWLZYMN-PDGQHHTCSA-N 0 0 405.475 4.989 50 0 HJAARN COc1ccccc1[C@@H]1SCCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000001206382 557241006 /nfs/dbraw/zinc/24/10/06/557241006.db2.gz ZLELQFMHEPWTLC-QFIPXVFZSA-N 0 0 411.548 4.799 50 0 HJAARN COc1ccc(Br)cc1C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1 ZINC000001206838 557241216 /nfs/dbraw/zinc/24/12/16/557241216.db2.gz QPPYOUHAFMZIOP-UHFFFAOYSA-N 0 0 424.254 4.913 50 0 HJAARN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]12 ZINC000001213309 557244603 /nfs/dbraw/zinc/24/46/03/557244603.db2.gz AJJFVMRRTVLRFE-GMMLXXJASA-N 0 0 421.496 4.850 50 0 HJAARN CCCC(=O)Nc1ccc(NC(=O)c2ccc(OCC)c(Br)c2)cc1 ZINC000001216647 557246059 /nfs/dbraw/zinc/24/60/59/557246059.db2.gz KRQRYKZMQZZGLX-UHFFFAOYSA-N 0 0 405.292 4.839 50 0 HJAARN CCOc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1Br ZINC000001217408 557246548 /nfs/dbraw/zinc/24/65/48/557246548.db2.gz OEIMSXUEPYAOLX-UHFFFAOYSA-N 0 0 404.182 4.999 50 0 HJAARN COc1cc(NC(=O)COc2ccc(Cl)cc2C)ccc1NC(=O)c1ccco1 ZINC000001217376 557246606 /nfs/dbraw/zinc/24/66/06/557246606.db2.gz HJBXFSXTUPCVLM-UHFFFAOYSA-N 0 0 414.845 4.520 50 0 HJAARN Nc1cc(NC(=O)c2cccc(C(=O)Nc3ccc(Cl)c(N)c3)c2)ccc1Cl ZINC000001234723 557250369 /nfs/dbraw/zinc/25/03/69/557250369.db2.gz KGHGMPFDZHLNQO-UHFFFAOYSA-N 0 0 415.280 4.662 50 0 HJAARN CCc1cc2c(ncnc2SCC(=O)Nc2ccc(Br)cc2)s1 ZINC000001252504 557251893 /nfs/dbraw/zinc/25/18/93/557251893.db2.gz NFEJDBPAOJGWDF-UHFFFAOYSA-N 0 0 408.346 4.747 50 0 HJAARN CCOC(=O)c1c(C)n(CCc2ccc(OCC)c(OCC)c2)c2ccc(O)cc21 ZINC000001304680 557254507 /nfs/dbraw/zinc/25/45/07/557254507.db2.gz YNNYGKJQKJFNFW-UHFFFAOYSA-N 0 0 411.498 4.872 50 0 HJAARN CC(C)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000001410963 557259381 /nfs/dbraw/zinc/25/93/81/557259381.db2.gz ONVDMPRTNOBDLZ-UHFFFAOYSA-N 0 0 408.523 4.644 50 0 HJAARN COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(F)cc4)ccc3o2)cc1 ZINC000001413904 557259948 /nfs/dbraw/zinc/25/99/48/557259948.db2.gz NRQWQFQBVZTKPP-UHFFFAOYSA-N 0 0 421.453 4.769 50 0 HJAARN O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000001431554 557262313 /nfs/dbraw/zinc/26/23/13/557262313.db2.gz KBGPROLLGVCQKC-UHFFFAOYSA-N 0 0 412.411 4.930 50 0 HJAARN Cc1cccc(C(=O)Nc2sc3c(c2C(=O)NCc2cccnc2)CCCC3)c1 ZINC000001439611 557263541 /nfs/dbraw/zinc/26/35/41/557263541.db2.gz BHTKSAHGHANOCQ-UHFFFAOYSA-N 0 0 405.523 4.513 50 0 HJAARN COc1ccc([C@@H]2[C@H](Oc3ccccc3C)C(=O)N2Cc2ccc(F)cc2)cc1OC ZINC000001444361 557265638 /nfs/dbraw/zinc/26/56/38/557265638.db2.gz BIZKXKSWGKZWSD-RPWUZVMVSA-N 0 0 421.468 4.682 50 0 HJAARN Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CCN1C(=O)OC(C)(C)[C@]1(C)O ZINC000001445783 557266045 /nfs/dbraw/zinc/26/60/45/557266045.db2.gz WWKQOXCTOXDLIB-DEOSSOPVSA-N 0 0 408.498 4.537 50 0 HJAARN CCN(CC)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1 ZINC000001476591 557269755 /nfs/dbraw/zinc/26/97/55/557269755.db2.gz AFKDBTSHARUGGC-UHFFFAOYSA-N 0 0 414.962 4.857 50 0 HJAARN CCc1cc2c(C)cc(=O)oc2cc1OC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000001748862 557284614 /nfs/dbraw/zinc/28/46/14/557284614.db2.gz WQFSOUUAVJYQDD-QGZVFWFLSA-N 0 0 417.502 4.509 50 0 HJAARN COc1cc(Cl)c(C)cc1NC1=C(Cl)C(=O)N(c2cccc(C)c2C)C1=O ZINC000001777000 557286463 /nfs/dbraw/zinc/28/64/63/557286463.db2.gz YVGGGKSPESRMPI-UHFFFAOYSA-N 0 0 405.281 4.710 50 0 HJAARN CCCCOc1ccccc1NC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O ZINC000001777497 557286849 /nfs/dbraw/zinc/28/68/49/557286849.db2.gz BXBONRHAUXRTBP-HXUWFJFHSA-N 0 0 408.498 4.515 50 0 HJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3ccccc3s1)CCC2 ZINC000001794951 557288692 /nfs/dbraw/zinc/28/86/92/557288692.db2.gz PBAOAACBWGGHDD-UHFFFAOYSA-N 0 0 418.565 4.754 50 0 HJAARN COc1ccc(-n2c(=O)c3c(nc2SC)-c2ccccc2CC32CCCC2)cc1 ZINC000001822710 557290778 /nfs/dbraw/zinc/29/07/78/557290778.db2.gz IVJIIUXQSADZOI-UHFFFAOYSA-N 0 0 404.535 4.998 50 0 biogenic HJAARN Cc1ccc(SCc2cc(=O)[nH]c(Nc3nc(C)c4cc(C)c(C)cc4n3)n2)cc1 ZINC000001829155 557290988 /nfs/dbraw/zinc/29/09/88/557290988.db2.gz CXOWHXHVUSKJKU-UHFFFAOYSA-N 0 0 417.538 4.983 50 0 HJAARN O=[N+]([O-])C(C(Cl)=C(Cl)Cl)=C(NCc1ccccc1)NCc1ccccc1 ZINC000001856741 557292388 /nfs/dbraw/zinc/29/23/88/557292388.db2.gz MGBZQQZTZQNXSX-UHFFFAOYSA-N 0 0 412.704 4.897 50 0 HJAARN CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000002067597 557306071 /nfs/dbraw/zinc/30/60/71/557306071.db2.gz AHRKKPZTYTVPKS-OVKIHRCZSA-N 0 0 409.485 4.872 50 0 HJAARN CCOC(=O)CNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000002082088 557310157 /nfs/dbraw/zinc/31/01/57/557310157.db2.gz UCNMGMUVABYZBI-UHFFFAOYSA-N 0 0 403.265 4.502 50 0 HJAARN Brc1cccc(C2(c3nc(COc4ccccc4)no3)CCOCC2)c1 ZINC000071890013 557312517 /nfs/dbraw/zinc/31/25/17/557312517.db2.gz VRXJUNOWWSYZLS-UHFFFAOYSA-N 0 0 415.287 4.508 50 0 HJAARN COc1ccc(C(=O)Nc2ncc3c(n2)C[C@H](c2ccc(C(C)C)cc2)CC3=O)cc1 ZINC000002102060 557313669 /nfs/dbraw/zinc/31/36/69/557313669.db2.gz RSHWJQRJWQYJTC-IBGZPJMESA-N 0 0 415.493 4.774 50 0 biogenic HJAARN Cc1ccc(/C=C/C(=O)NCc2cccc(CNC(=O)/C=C/c3ccc(C)cc3)c2)cc1 ZINC000002114649 557315453 /nfs/dbraw/zinc/31/54/53/557315453.db2.gz KVXHFDUGKHOUPN-YXLFCKQPSA-N 0 0 424.544 4.963 50 0 HJAARN CCOC(=O)COc1ccc2c(C)c(Cc3c(Cl)cccc3Cl)c(=O)oc2c1 ZINC000002147515 557318964 /nfs/dbraw/zinc/31/89/64/557318964.db2.gz DCXKHAILIVTMNX-UHFFFAOYSA-N 0 0 421.276 4.941 50 0 HJAARN COc1ccc([C@H]2C3C(=Nc4ncnn42)c2ccccc2O[C@@H]3c2cccs2)cc1 ZINC000002246398 557330727 /nfs/dbraw/zinc/33/07/27/557330727.db2.gz XSLOKBZZFFRAOL-FCHUYYIVSA-N 0 0 414.490 4.561 50 0 HJAARN CCCCn1c(N)c(C(=O)NCc2ccccc2Cl)c2nc3ccccc3nc21 ZINC000002256364 557331919 /nfs/dbraw/zinc/33/19/19/557331919.db2.gz ZCENQXGVSVLKMM-UHFFFAOYSA-N 0 0 407.905 4.550 50 0 HJAARN O=C(CCC(=O)N(c1ccccc1)c1ccccc1)OCC(=O)c1ccc(F)cc1 ZINC000002258068 557332164 /nfs/dbraw/zinc/33/21/64/557332164.db2.gz RBBOSJGQRLCXOI-UHFFFAOYSA-N 0 0 405.425 4.697 50 0 HJAARN Cc1ccc(-n2c(SCC(=O)c3ccccc3Cl)nnc2-c2cnccn2)cc1 ZINC000002354032 557339642 /nfs/dbraw/zinc/33/96/42/557339642.db2.gz VDQUFVCEVMRVBT-UHFFFAOYSA-N 0 0 421.913 4.661 50 0 HJAARN COc1ccc(Cc2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)o2)cc1 ZINC000002412173 557345535 /nfs/dbraw/zinc/34/55/35/557345535.db2.gz FIXHHGNFLCRTOF-UHFFFAOYSA-N 0 0 424.309 4.707 50 0 HJAARN COc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)c1 ZINC000002434106 557347064 /nfs/dbraw/zinc/34/70/64/557347064.db2.gz NFBZJYRUYPBJHG-LJQANCHMSA-N 0 0 422.824 4.501 50 0 HJAARN Cc1nn(-c2ccccc2)c(NC(=O)c2ccco2)c(-c2ccc(Cl)cc2)c1=O ZINC000002439549 557347607 /nfs/dbraw/zinc/34/76/07/557347607.db2.gz CEGLXLFXNYHXPJ-UHFFFAOYSA-N 0 0 405.841 4.707 50 0 HJAARN Cc1cc2c3c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N3C(=O)C2=C1SC(=O)NC1=O ZINC000002442547 557347862 /nfs/dbraw/zinc/34/78/62/557347862.db2.gz KWEUVISISCIYTN-SWXYAQJLSA-N 0 0 418.518 4.524 50 0 HJAARN CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccccc1OC ZINC000002450956 557349251 /nfs/dbraw/zinc/34/92/51/557349251.db2.gz VWGJJOJIUVMOBE-UHFFFAOYSA-N 0 0 410.543 4.630 50 0 HJAARN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000002552546 557356084 /nfs/dbraw/zinc/35/60/84/557356084.db2.gz MXUDJLVVYPUBAZ-CQSZACIVSA-N 0 0 400.809 4.800 50 0 HJAARN CCCCOC(=O)c1ccc(N[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)cc1 ZINC000002666993 557365997 /nfs/dbraw/zinc/36/59/97/557365997.db2.gz BIFGBOBMJMYLNO-QGZVFWFLSA-N 0 0 423.768 4.914 50 0 HJAARN CC(C)CNC(=O)Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccco2)cc1 ZINC000034679673 557367718 /nfs/dbraw/zinc/36/77/18/557367718.db2.gz YZJLUYXVVGXBHO-UHFFFAOYSA-N 0 0 408.473 4.580 50 0 HJAARN CCCOC(=O)c1c(NC(=O)CCc2ccc(OC)cc2)sc2c1CCCC2 ZINC000002739276 557375432 /nfs/dbraw/zinc/37/54/32/557375432.db2.gz HLGXDMJKCJBAAC-UHFFFAOYSA-N 0 0 401.528 4.774 50 0 HJAARN CCCSc1nnc2c(n1)O[C@H](c1cccc(OC)c1OC)Nc1ccccc1-2 ZINC000002742155 557375826 /nfs/dbraw/zinc/37/58/26/557375826.db2.gz PXAOZEKWXXKMIM-LJQANCHMSA-N 0 0 410.499 4.561 50 0 HJAARN Cc1nn(Cc2ccc(C(=O)Nc3ccc(C(=O)OC(C)C)cc3)o2)c(C)c1Cl ZINC000002743290 557376081 /nfs/dbraw/zinc/37/60/81/557376081.db2.gz IYBQADCFOWHEEK-UHFFFAOYSA-N 0 0 415.877 4.612 50 0 HJAARN CCOC(=O)c1c(NC(=O)CCc2ccc(OC)cc2)sc2c1CCCCC2 ZINC000002750372 557379036 /nfs/dbraw/zinc/37/90/36/557379036.db2.gz REOOTMVNEDCNGD-UHFFFAOYSA-N 0 0 401.528 4.774 50 0 HJAARN Cc1ccc(NC(=S)NCC2CCN(C(=S)Nc3ccc(C)cc3)CC2)cc1 ZINC000002757025 557380442 /nfs/dbraw/zinc/38/04/42/557380442.db2.gz FZHQWQHOJYJOEI-UHFFFAOYSA-N 0 0 412.628 4.699 50 0 HJAARN Cc1cccc(CN(C(=O)c2cccs2)c2ccc(CC(=O)NCC3CC3)cc2)c1 ZINC000034680072 557381604 /nfs/dbraw/zinc/38/16/04/557381604.db2.gz IBEWLDXLJMUGSC-UHFFFAOYSA-N 0 0 418.562 4.972 50 0 HJAARN CC(=O)N1C[C@H](C(=O)N[C@H](C)c2ccccc2)CC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000034709395 557389706 /nfs/dbraw/zinc/38/97/06/557389706.db2.gz RUJWYJPKFSJNRI-QFIXIFRTSA-N 0 0 418.459 4.882 50 0 HJAARN O=C(NCc1ccncc1)c1csc(-c2ccc(OCc3ccc(F)cc3)cc2)n1 ZINC000034711698 557391170 /nfs/dbraw/zinc/39/11/70/557391170.db2.gz UXGYSZJJGDAHOC-UHFFFAOYSA-N 0 0 419.481 4.853 50 0 HJAARN O=C(c1csc(-c2ccc(OCc3c(F)cccc3F)cc2)n1)N1CCCC1 ZINC000034711902 557391431 /nfs/dbraw/zinc/39/14/31/557391431.db2.gz HXENDSBCVRSVOL-UHFFFAOYSA-N 0 0 400.450 4.903 50 0 HJAARN CCNC(=O)c1csc(-c2ccc(OCc3ccccc3Cl)c(OC)c2)n1 ZINC000034712405 557391935 /nfs/dbraw/zinc/39/19/35/557391935.db2.gz KUUGGGHVORIBPW-UHFFFAOYSA-N 0 0 402.903 4.801 50 0 HJAARN COc1cc(-c2nc(C(=O)N3CCCC3)cs2)ccc1OCc1ccccc1F ZINC000034712220 557391975 /nfs/dbraw/zinc/39/19/75/557391975.db2.gz AQKKWQMRURHJEQ-UHFFFAOYSA-N 0 0 412.486 4.773 50 0 HJAARN COCCNC(=O)c1csc(-c2ccc(OCc3ccccc3Cl)cc2F)n1 ZINC000034713337 557392813 /nfs/dbraw/zinc/39/28/13/557392813.db2.gz WHPKTXMLOYHYFQ-UHFFFAOYSA-N 0 0 420.893 4.558 50 0 HJAARN CN1C(=O)c2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)cc2C1=O ZINC000002825617 557396862 /nfs/dbraw/zinc/39/68/62/557396862.db2.gz AXECLZOZMRLHCU-UHFFFAOYSA-N 0 0 415.232 4.732 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)COc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000002838348 557400051 /nfs/dbraw/zinc/40/00/51/557400051.db2.gz DLGUPNBOMLFIPO-UHFFFAOYSA-N 0 0 408.885 4.596 50 0 HJAARN O=S(=O)(c1ccccc1)c1ccc(COc2ccc(Br)cc2)cc1 ZINC000002845096 557402521 /nfs/dbraw/zinc/40/25/21/557402521.db2.gz GXTSTJZAIQYWRW-UHFFFAOYSA-N 0 0 403.297 4.861 50 0 HJAARN CC(=O)Nc1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000002847186 557402941 /nfs/dbraw/zinc/40/29/41/557402941.db2.gz KAPIGFZSVRPIKX-UHFFFAOYSA-N 0 0 419.319 4.723 50 0 HJAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccccc1F)N(c1ccccn1)C3=O ZINC000002854514 557406207 /nfs/dbraw/zinc/40/62/07/557406207.db2.gz GGEMTCVIHCIDRA-OAQYLSRUSA-N 0 0 400.409 4.694 50 0 HJAARN Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)NC3CCCCCC3)cc2)cc1 ZINC000002861177 557410058 /nfs/dbraw/zinc/41/00/58/557410058.db2.gz OCTUPGDNYYJQKN-UHFFFAOYSA-N 0 0 414.571 4.567 50 0 HJAARN COCCn1c(C)cc(C(=O)CSc2nc(C)nc3sc4c(c32)CCC4)c1C ZINC000002862337 557410896 /nfs/dbraw/zinc/41/08/96/557410896.db2.gz LDJKXVGWFQDDNB-UHFFFAOYSA-N 0 0 415.584 4.528 50 0 HJAARN COC(=O)c1cc(NC(=O)CSCc2c(F)cccc2Cl)ccc1Cl ZINC000002870568 557414659 /nfs/dbraw/zinc/41/46/59/557414659.db2.gz BWVMMEHEZIXDBX-UHFFFAOYSA-N 0 0 402.274 4.791 50 0 HJAARN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NC3CCCCCC3)ccc2C)c1 ZINC000002873708 557415954 /nfs/dbraw/zinc/41/59/54/557415954.db2.gz NFAWGKDAZWVVNK-UHFFFAOYSA-N 0 0 414.571 4.865 50 0 HJAARN Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)c1 ZINC000002883302 557420588 /nfs/dbraw/zinc/42/05/88/557420588.db2.gz HJULIPSHFVUEKA-IBGZPJMESA-N 0 0 422.550 4.764 50 0 HJAARN CCOc1ccc(N[C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1 ZINC000002888649 557422943 /nfs/dbraw/zinc/42/29/43/557422943.db2.gz BYUYWEJOHOAPTQ-JOCHJYFZSA-N 0 0 402.450 4.622 50 0 HJAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CCCCCC3)ccc2C)cc1 ZINC000002888807 557423275 /nfs/dbraw/zinc/42/32/75/557423275.db2.gz UJZBGYQWSUFKKV-UHFFFAOYSA-N 0 0 400.544 4.557 50 0 HJAARN CC(C)C(=O)N[C@@H](NC(=S)Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000002905331 557425381 /nfs/dbraw/zinc/42/53/81/557425381.db2.gz LEWOFOVFBJXKIM-HNNXBMFYSA-N 0 0 418.777 4.595 50 0 HJAARN COc1ccc(Cc2nnc(NC(=O)c3ccc(C(C)(C)C)cc3)s2)cc1OC ZINC000002918415 557426786 /nfs/dbraw/zinc/42/67/86/557426786.db2.gz MCZOBRJUNJMXRK-UHFFFAOYSA-N 0 0 411.527 4.696 50 0 HJAARN CCCOc1ccc(C(=O)NC(=S)Nc2c(C)cc(Br)cc2C)cc1 ZINC000002984121 557436381 /nfs/dbraw/zinc/43/63/81/557436381.db2.gz ROIXCPULHCGRLA-UHFFFAOYSA-N 0 0 421.360 4.982 50 0 HJAARN CCOc1ccccc1OCCOCCOc1c(C)cc(Br)cc1C ZINC000002984293 557436401 /nfs/dbraw/zinc/43/64/01/557436401.db2.gz LXAXFGXWLZJTLS-UHFFFAOYSA-N 0 0 409.320 4.939 50 0 HJAARN O=C(NCCC1=CCCCC1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000002998222 557439067 /nfs/dbraw/zinc/43/90/67/557439067.db2.gz BTLBBBYNKAQSDB-UHFFFAOYSA-N 0 0 409.357 4.852 50 0 HJAARN CCCC[C@H](C(=O)OC)N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000003002985 557440278 /nfs/dbraw/zinc/44/02/78/557440278.db2.gz QSAXLDFTRBETGX-ZCFIWIBFSA-N 0 0 413.084 4.628 50 0 HJAARN CN1O[C@H](COC(=O)c2ccc(C(F)(F)F)cc2)CC12C1CC3CC(C1)CC2C3 ZINC000003096616 557445926 /nfs/dbraw/zinc/44/59/26/557445926.db2.gz IKPQHEWFIOJHPY-CEOJBELLSA-N 0 0 409.448 4.693 50 0 HJAARN CCOC(=O)N[C@@H](NC(=S)Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000003121637 557448279 /nfs/dbraw/zinc/44/82/79/557448279.db2.gz XMCHNVIQWRVSPM-CYBMUJFWSA-N 0 0 420.749 4.569 50 0 HJAARN Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2I)cc1 ZINC000003131826 557449785 /nfs/dbraw/zinc/44/97/85/557449785.db2.gz TVWGPLQUUFDURA-UHFFFAOYSA-N 0 0 424.259 4.521 50 0 HJAARN Nc1c(NC(=O)NCC2CCCCC2)c(-c2ccccc2)nn1-c1ccc(F)cc1 ZINC000034785188 557454842 /nfs/dbraw/zinc/45/48/42/557454842.db2.gz DRTORPLQLAVDJE-UHFFFAOYSA-N 0 0 407.493 4.962 50 0 HJAARN CCN(C)C(=O)c1cccc(/C=C2\SC(=O)N(Cc3cccc(Cl)c3)C2=O)c1 ZINC000034761079 557460204 /nfs/dbraw/zinc/46/02/04/557460204.db2.gz ADBLHVUXHJEHQB-PDGQHHTCSA-N 0 0 414.914 4.668 50 0 HJAARN CC(C)c1ccc(NC(=O)N2CCC3(CC2)Nc2cc(Cl)ccc2C(=O)N3)cc1 ZINC000034812064 557464543 /nfs/dbraw/zinc/46/45/43/557464543.db2.gz HYXYRRPQODQDLS-UHFFFAOYSA-N 0 0 412.921 4.643 50 0 HJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)/C=C\c1c(Cl)nc2sccn12 ZINC000034828926 557465976 /nfs/dbraw/zinc/46/59/76/557465976.db2.gz DPHSNMPULVTTSF-WAYWQWQTSA-N 0 0 409.920 4.556 50 0 HJAARN COc1ccccc1-c1cc(C(=O)NC(C)C)nc2c(-c3ccccc3)c(C)nn21 ZINC000034833029 557466962 /nfs/dbraw/zinc/46/69/62/557466962.db2.gz OWAVSLFBUSXCAZ-UHFFFAOYSA-N 0 0 400.482 4.519 50 0 HJAARN COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)Cc2ccc(F)cc2)cc1OC ZINC000034793961 557470509 /nfs/dbraw/zinc/47/05/09/557470509.db2.gz XEYQTMOTNZHRBN-UHFFFAOYSA-N 0 0 411.477 4.613 50 0 HJAARN COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)Nc2cc(OC)cc(OC)c2)cc1 ZINC000034796674 557472037 /nfs/dbraw/zinc/47/20/37/557472037.db2.gz JRTMDKCHUHMHAU-UHFFFAOYSA-N 0 0 424.501 4.945 50 0 HJAARN O=C(NCc1ccc(F)cc1)[C@H]1CCCN(c2nc3ccccc3n2C2CCCC2)C1 ZINC000034906713 557473949 /nfs/dbraw/zinc/47/39/49/557473949.db2.gz PYANNWXWZNIPTH-IBGZPJMESA-N 0 0 420.532 4.823 50 0 HJAARN Cc1cccc(-n2nc(C(=O)Nc3ccccc3F)nc2CCc2ccccc2)c1 ZINC000034911695 557476283 /nfs/dbraw/zinc/47/62/83/557476283.db2.gz BAGMDFLZNQBZFD-UHFFFAOYSA-N 0 0 400.457 4.752 50 0 HJAARN COc1ccccc1-c1cc(CN(Cc2ccco2)C(=O)COc2ccccc2)no1 ZINC000034922222 557484243 /nfs/dbraw/zinc/48/42/43/557484243.db2.gz UJBIIZOLJPIATP-UHFFFAOYSA-N 0 0 418.449 4.551 50 0 HJAARN Cc1ccc(N2C(=O)CSC23CCN(C(=O)Nc2ccc(C)cc2C)CC3)cc1 ZINC000034927551 557485458 /nfs/dbraw/zinc/48/54/58/557485458.db2.gz XLIPJFQLENJFFB-UHFFFAOYSA-N 0 0 409.555 4.716 50 0 HJAARN CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCC2CC2)[C@@H]1c1cccc(Cl)c1 ZINC000034927689 557485702 /nfs/dbraw/zinc/48/57/02/557485702.db2.gz MZLRXUYDFRBQGM-YADHBBJMSA-N 0 0 410.945 4.947 50 0 HJAARN CCCCNC(=O)CSc1nc2ccc(NC(=O)c3ccccc3C)cc2s1 ZINC000003664529 557497344 /nfs/dbraw/zinc/49/73/44/557497344.db2.gz ZODWTBSETRXBPF-UHFFFAOYSA-N 0 0 413.568 4.865 50 0 HJAARN Cc1ccccc1NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2)c1 ZINC000003833322 557499256 /nfs/dbraw/zinc/49/92/56/557499256.db2.gz KJCWFFIMVHSLCC-UHFFFAOYSA-N 0 0 400.887 4.702 50 0 HJAARN Cc1ccc(-c2csc3ncn([C@H](C)C(=O)OCc4ccccc4)c(=O)c23)cc1 ZINC000004056125 557507741 /nfs/dbraw/zinc/50/77/41/557507741.db2.gz VGYHKJIRLQCEOZ-MRXNPFEDSA-N 0 0 404.491 4.738 50 0 HJAARN CC1(C)CC(=O)C(C(c2ccc(Cl)cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000004074224 557509850 /nfs/dbraw/zinc/50/98/50/557509850.db2.gz APEZYTJHJIOQLV-UHFFFAOYSA-N 0 0 402.918 4.572 50 0 HJAARN O=C(CCCCCCCCCCCNC(=O)c1ccccc1)Nc1nncs1 ZINC000004113851 557515183 /nfs/dbraw/zinc/51/51/83/557515183.db2.gz ILFVLELRTCHXKO-UHFFFAOYSA-N 0 0 402.564 4.808 50 0 HJAARN COc1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc(OC)c1O ZINC000004164917 557522972 /nfs/dbraw/zinc/52/29/72/557522972.db2.gz XZRWLORIUTVVOV-KSFYIVLOSA-N 0 0 408.479 4.713 50 0 HJAARN C[C@]12C(=O)N(c3cc(Cl)ccc3O)C(=O)[C@H]1C1c3ccccc3C2c2ccccc21 ZINC000004525761 557563715 /nfs/dbraw/zinc/56/37/15/557563715.db2.gz HICJMHYLYSWGQD-FEIQLAPHSA-N 0 0 415.876 4.832 50 0 HJAARN COc1cc2c(cc1NC(=O)c1ccc(OC)c(OC)c1OC)oc1ccccc12 ZINC000004539378 557564819 /nfs/dbraw/zinc/56/48/19/557564819.db2.gz FZPVUYDVENDCFM-UHFFFAOYSA-N 0 0 407.422 4.873 50 0 biogenic HJAARN Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CCC(C)CC4)c3n2)cc1 ZINC000004602856 557571615 /nfs/dbraw/zinc/57/16/15/557571615.db2.gz KMEKEQRUCMNIBN-UHFFFAOYSA-N 0 0 402.420 4.596 50 0 HJAARN CCc1ccc(C(=O)COC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)cc1 ZINC000004610417 557571823 /nfs/dbraw/zinc/57/18/23/557571823.db2.gz YBIUERLUWDGLIX-UHFFFAOYSA-N 0 0 417.461 4.550 50 0 HJAARN Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCc2cccc(Cl)c2)cc1C ZINC000004649046 557575356 /nfs/dbraw/zinc/57/53/56/557575356.db2.gz CGEHDNSVPRHASC-JCMHNJIXSA-N 0 0 422.912 4.680 50 0 HJAARN CCOc1ccccc1NC(=O)CCSCCC(=O)Nc1ccccc1OCC ZINC000004652544 557576122 /nfs/dbraw/zinc/57/61/22/557576122.db2.gz CLYJJKVFYMPYNW-UHFFFAOYSA-N 0 0 416.543 4.575 50 0 HJAARN CCOC(=O)c1c(NC(=O)c2ccc(OCC)c(OCC)c2)sc2c1CCCC2 ZINC000004679388 557580362 /nfs/dbraw/zinc/58/03/62/557580362.db2.gz HHSMGSQGLRACAZ-UHFFFAOYSA-N 0 0 417.527 4.853 50 0 HJAARN COCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cccc2ccccc21 ZINC000004742038 557590943 /nfs/dbraw/zinc/59/09/43/557590943.db2.gz WWVLIWSKVOCZPP-HSZRJFAPSA-N 0 0 413.477 4.668 50 0 HJAARN Cc1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)sc1-c1ccccc1 ZINC000004749890 557592711 /nfs/dbraw/zinc/59/27/11/557592711.db2.gz WQHQUDYBJLYBHR-UHFFFAOYSA-N 0 0 403.507 4.774 50 0 HJAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC3=CCCCC3)ccc2C)cc1 ZINC000004757019 557594646 /nfs/dbraw/zinc/59/46/46/557594646.db2.gz VJHUGDFGIORCMG-UHFFFAOYSA-N 0 0 412.555 4.725 50 0 HJAARN CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc(Cc3ccncc3)cc2)cc1 ZINC000004759739 557595426 /nfs/dbraw/zinc/59/54/26/557595426.db2.gz GOGKSMVGVMMCNG-UHFFFAOYSA-N 0 0 419.550 4.834 50 0 HJAARN CCOc1cc(C=O)ccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000004813924 557601013 /nfs/dbraw/zinc/60/10/13/557601013.db2.gz VSXBEAXFAZASSO-UHFFFAOYSA-N 0 0 401.768 4.588 50 0 HJAARN O=S(=O)(c1ccc2ccccc2c1)N1CCC(Nc2ccccc2Cl)CC1 ZINC000004817059 557601517 /nfs/dbraw/zinc/60/15/17/557601517.db2.gz QPRLBSKLXNGIMN-UHFFFAOYSA-N 0 0 400.931 4.758 50 0 HJAARN COc1cc(C(=O)Nc2cccc(C(=O)c3ccc(C)c(C)c3)c2)cc(OC)c1OC ZINC000004822989 557603244 /nfs/dbraw/zinc/60/32/44/557603244.db2.gz LOGMRDGEYQXIGR-UHFFFAOYSA-N 0 0 419.477 4.813 50 0 HJAARN CCc1ccc(O[C@H](C)c2nnc(SCCC(=O)Nc3ccccc3)n2C)cc1 ZINC000004870100 557608601 /nfs/dbraw/zinc/60/86/01/557608601.db2.gz ACNHQETVWQOVBE-MRXNPFEDSA-N 0 0 410.543 4.638 50 0 HJAARN COc1cc(NC(=O)c2cc(Cl)ccc2OC)ccc1NC(=O)c1cccs1 ZINC000005015999 557626019 /nfs/dbraw/zinc/62/60/19/557626019.db2.gz IUPDQRNSQFJXRM-UHFFFAOYSA-N 0 0 416.886 4.923 50 0 HJAARN CC[C@@H](Sc1ncc(-c2ccccc2)nn1)C(=O)Nc1nc2ccccc2s1 ZINC000005016539 557626285 /nfs/dbraw/zinc/62/62/85/557626285.db2.gz LHRXUGYUXQQIEK-MRXNPFEDSA-N 0 0 407.524 4.658 50 0 HJAARN Cc1ccc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)NCc3cccs3)c2c1 ZINC000005048878 557630119 /nfs/dbraw/zinc/63/01/19/557630119.db2.gz OWMVMZARVMQRQC-UHFFFAOYSA-N 0 0 402.475 4.930 50 0 HJAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)Nc2cc(C)ccc2OC)c1C ZINC000005054077 557631422 /nfs/dbraw/zinc/63/14/22/557631422.db2.gz KMRVJXVCUUUJRF-UHFFFAOYSA-N 0 0 420.509 4.904 50 0 HJAARN CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccc(Cl)cc1 ZINC000005309498 557644470 /nfs/dbraw/zinc/64/44/70/557644470.db2.gz MKLSOWKXTCHAAL-UHFFFAOYSA-N 0 0 400.935 4.966 50 0 HJAARN COc1ccccc1-c1c(C)nn2c1nc(C)cc2Nc1ccc(NC(C)=O)cc1 ZINC000005346098 557646007 /nfs/dbraw/zinc/64/60/07/557646007.db2.gz GQSGXPGXZTVTRM-UHFFFAOYSA-N 0 0 401.470 4.724 50 0 HJAARN CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)cc1 ZINC000005477746 557655894 /nfs/dbraw/zinc/65/58/94/557655894.db2.gz XPDVCSRKLMYMHG-UHFFFAOYSA-N 0 0 418.522 4.880 50 0 HJAARN CCn1c(SCC(=O)Nc2ccc(OC)c(Cl)c2)nnc1-c1cccc(C)c1 ZINC000005500234 557658401 /nfs/dbraw/zinc/65/84/01/557658401.db2.gz JUIIHIYHAPIOIY-UHFFFAOYSA-N 0 0 416.934 4.666 50 0 HJAARN CCOc1ccc2nc(SCC(=O)Nc3ccc(C(F)(F)F)cn3)sc2c1 ZINC000005568994 557662649 /nfs/dbraw/zinc/66/26/49/557662649.db2.gz GIUQSNFLHGMIQB-UHFFFAOYSA-N 0 0 413.446 4.840 50 0 HJAARN COc1ccc(CCNC(=S)N(Cc2ccccc2)Cc2ccccc2)cc1OC ZINC000005676190 557668352 /nfs/dbraw/zinc/66/83/52/557668352.db2.gz BUBKCKLKZDQZTQ-UHFFFAOYSA-N 0 0 420.578 4.823 50 0 HJAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000022656302 557673544 /nfs/dbraw/zinc/67/35/44/557673544.db2.gz XTDNDWVNINMNFY-UNMCSNQZSA-N 0 0 402.519 4.590 50 0 HJAARN Cc1ccc(-c2nnc(SCC(=O)Nc3nc4ccc(F)cc4s3)o2)cc1 ZINC000005864336 557677888 /nfs/dbraw/zinc/67/78/88/557677888.db2.gz QXVDADKCCBUBCU-UHFFFAOYSA-N 0 0 400.460 4.525 50 0 HJAARN CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000002256675 557679736 /nfs/dbraw/zinc/67/97/36/557679736.db2.gz NRKHMAOSNFNSHG-HIFRSBDPSA-N 0 0 413.326 4.595 50 0 HJAARN COc1ccc(COC(NC(=O)c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1 ZINC000002275380 557681545 /nfs/dbraw/zinc/68/15/45/557681545.db2.gz MBBUDACZHGJNOR-UHFFFAOYSA-N 0 0 421.337 4.771 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)[C@H](C)n1nc(-c2ccccc2)c2c(c1=O)CCCC2 ZINC000006767259 557720369 /nfs/dbraw/zinc/72/03/69/557720369.db2.gz WFKPPWVLPSQHOA-INIZCTEOSA-N 0 0 421.928 4.951 50 0 HJAARN Cc1ccccc1NC(=O)[C@@H]1Sc2nnc(-c3ccccc3)n2NC12CCCCC2 ZINC000006811749 557722974 /nfs/dbraw/zinc/72/29/74/557722974.db2.gz OJNANKDKLALJAE-IBGZPJMESA-N 0 0 419.554 4.613 50 0 biogenic HJAARN CCN(CC)c1nc(Cl)nc(-c2ccc3cc(-c4ccccc4)c(=O)oc3c2)n1 ZINC000006891395 557729081 /nfs/dbraw/zinc/72/90/81/557729081.db2.gz WBYZQYLODKUONA-UHFFFAOYSA-N 0 0 406.873 4.812 50 0 HJAARN Cc1ccc(Cn2c3c4cc(C)ccc4n(C)c3c(=O)n(-c3cccc(C)c3)c2=O)cc1 ZINC000006900353 557729236 /nfs/dbraw/zinc/72/92/36/557729236.db2.gz KUIKJUWGFRBSKD-UHFFFAOYSA-N 0 0 423.516 4.618 50 0 HJAARN Cc1sc(NC(=O)CSc2nnc(-c3ccccc3)o2)nc1-c1ccccc1 ZINC000006920685 557730090 /nfs/dbraw/zinc/73/00/90/557730090.db2.gz SZZHEYOVSJFEEZ-UHFFFAOYSA-N 0 0 408.508 4.899 50 0 HJAARN COc1cc(C)c(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1OC ZINC000002646494 557737844 /nfs/dbraw/zinc/73/78/44/557737844.db2.gz AIIQKEGTJUNLLH-NRFANRHFSA-N 0 0 418.493 4.512 50 0 HJAARN CCn1cc(C(=O)CSc2nnc(COc3ccccc3C)n2C)c2ccccc21 ZINC000007459032 557741891 /nfs/dbraw/zinc/74/18/91/557741891.db2.gz QWMNYMDBWLXYNH-UHFFFAOYSA-N 0 0 420.538 4.652 50 0 HJAARN Cc1ccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2cccc(O)c2)nc1 ZINC000002705006 557743707 /nfs/dbraw/zinc/74/37/07/557743707.db2.gz SKWPYEJMNFLMRX-JOCHJYFZSA-N 0 0 412.445 4.569 50 0 HJAARN O=S(=O)(c1ccc2ccccc2c1)N1CCN=C1SCc1ccc(Cl)cc1 ZINC000002711534 557745156 /nfs/dbraw/zinc/74/51/56/557745156.db2.gz IHAKAHHBTDCWIG-UHFFFAOYSA-N 0 0 416.955 4.787 50 0 HJAARN Cc1ccc(NC(=O)CSc2nc3c4ccccc4oc3c(=O)n2C(C)C)cc1 ZINC000002713489 557748797 /nfs/dbraw/zinc/74/87/97/557748797.db2.gz APMBRDNFASDMRB-UHFFFAOYSA-N 0 0 407.495 4.763 50 0 HJAARN O=C(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)c1ccc(Br)o1 ZINC000002760996 557755486 /nfs/dbraw/zinc/75/54/86/557755486.db2.gz CYFOXDLWRULYSA-UHFFFAOYSA-N 0 0 415.074 4.846 50 0 HJAARN CCOC(=O)c1c2c(sc1NC(=O)c1cnccn1)C[C@H](C(C)(C)CC)CC2 ZINC000002762957 557756021 /nfs/dbraw/zinc/75/60/21/557756021.db2.gz VWVQMTBGXICUNI-CYBMUJFWSA-N 0 0 401.532 4.508 50 0 HJAARN CCCCOC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc2c1CCCC2 ZINC000002764615 557756460 /nfs/dbraw/zinc/75/64/60/557756460.db2.gz LZHWXMZQCVGBAR-UHFFFAOYSA-N 0 0 417.527 4.853 50 0 HJAARN CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1nnc(-c2cccnc2)s1 ZINC000002783163 557758786 /nfs/dbraw/zinc/75/87/86/557758786.db2.gz CEVDFRRYAZBTDF-ZDUSSCGKSA-N 0 0 409.298 4.703 50 0 HJAARN CCOc1ccc(Cc2nc3c4c5c(sc4ncn3n2)CCCC5)cc1OCC ZINC000002788208 557759436 /nfs/dbraw/zinc/75/94/36/557759436.db2.gz GOHQZZDIDFNSDZ-UHFFFAOYSA-N 0 0 408.527 4.606 50 0 HJAARN Fc1ccc(OCc2ccc(-c3nc4c5c6c(sc5ncn4n3)CCC6)o2)cc1 ZINC000002789538 557759484 /nfs/dbraw/zinc/75/94/84/557759484.db2.gz QPIRUDWAULNCDO-UHFFFAOYSA-N 0 0 406.442 4.806 50 0 HJAARN Cc1nn(C)c(-c2nc3c4c5c(sc4ncn3n2)C[C@@H](C(C)(C)C)CC5)c1Cl ZINC000002797873 557761958 /nfs/dbraw/zinc/76/19/58/557761958.db2.gz ORNOHAKKEKVCDE-NSHDSACASA-N 0 0 414.966 4.852 50 0 HJAARN Cc1c(Cl)c(-c2nc3c4c5c(sc4ncn3n2)C[C@H](C(C)(C)C)CC5)nn1C ZINC000002798086 557762115 /nfs/dbraw/zinc/76/21/15/557762115.db2.gz JPPLJSWLAWDNHJ-LLVKDONJSA-N 0 0 414.966 4.852 50 0 HJAARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 ZINC000002795763 557765415 /nfs/dbraw/zinc/76/54/15/557765415.db2.gz VDWZUUOYTFQLFV-GFCCVEGCSA-N 0 0 420.962 4.731 50 0 HJAARN O=C(Nc1nc2ccc(Br)cc2s1)c1ccc(Br)o1 ZINC000002910421 557769413 /nfs/dbraw/zinc/76/94/13/557769413.db2.gz CDQSSQCAFRZAAN-UHFFFAOYSA-N 0 0 402.067 4.667 50 0 HJAARN COc1ccc(Br)cc1CNC(=O)CCCc1cn(C)c2ccccc12 ZINC000002912764 557769667 /nfs/dbraw/zinc/76/96/67/557769667.db2.gz PCEMUQNWWBMFQH-UHFFFAOYSA-N 0 0 415.331 4.589 50 0 HJAARN CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000003034965 557785441 /nfs/dbraw/zinc/78/54/41/557785441.db2.gz ZHKBCFFMQKTHBO-KRWDZBQOSA-N 0 0 409.269 4.787 50 0 HJAARN Cc1sc2nc(SCC(=O)c3ccccc3)n(-c3cc(C)ccn3)c(=O)c2c1C ZINC000008450702 557790759 /nfs/dbraw/zinc/79/07/59/557790759.db2.gz JXGHYOPAOZAEPG-UHFFFAOYSA-N 0 0 421.547 4.742 50 0 HJAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccc(Cl)cc3)oc2N2CCCC2)cc1 ZINC000008550394 557794827 /nfs/dbraw/zinc/79/48/27/557794827.db2.gz IHCVABJNLHCCPX-UHFFFAOYSA-N 0 0 402.903 4.736 50 0 HJAARN O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000008705804 557800680 /nfs/dbraw/zinc/80/06/80/557800680.db2.gz AJMKATNMTSMDPP-UHFFFAOYSA-N 0 0 420.490 4.623 50 0 HJAARN COc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)c(Cl)cc3Cl)CC2=O)cc1 ZINC000008816096 557809604 /nfs/dbraw/zinc/80/96/04/557809604.db2.gz CCXNJEPBQAOKQV-SNVBAGLBSA-N 0 0 413.688 4.647 50 0 HJAARN O=C(COc1ccc2ccccc2c1)Nc1ccc(C(=O)Nc2nccs2)cc1 ZINC000008909526 557813658 /nfs/dbraw/zinc/81/36/58/557813658.db2.gz STASRBPXSCBURN-UHFFFAOYSA-N 0 0 403.463 4.566 50 0 HJAARN O=C1c2cccc3cccc(c32)C(=O)N1C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000008958963 557816309 /nfs/dbraw/zinc/81/63/09/557816309.db2.gz OOSDWSLMVKIKNX-GOSISDBHSA-N 0 0 420.468 4.605 50 0 HJAARN O=C(CSc1nnc(-c2cccnc2)o1)c1ccc([C@@H]2CC2(Cl)Cl)cc1 ZINC000009145898 557824966 /nfs/dbraw/zinc/82/49/66/557824966.db2.gz BURXVIDDCOXIOW-AWEZNQCLSA-N 0 0 406.294 4.768 50 0 HJAARN OCCOc1ccc(NCc2ccc(Br)cc2F)c(C(F)(F)F)c1 ZINC000097554805 557824979 /nfs/dbraw/zinc/82/49/79/557824979.db2.gz DQVATMSRMSIVNP-UHFFFAOYSA-N 0 0 408.189 4.590 50 0 HJAARN Cc1cc(C)nc(-n2nc(-c3ccccc3)c3c2NC(=O)C[C@H]3c2cccc(F)c2)n1 ZINC000009164663 557825286 /nfs/dbraw/zinc/82/52/86/557825286.db2.gz IQDJUACFRVWFNF-IBGZPJMESA-N 0 0 413.456 4.559 50 0 HJAARN Cc1sc(NC(=O)Cn2c(=O)sc3ccccc32)nc1-c1ccc(Cl)cc1 ZINC000009226834 557830612 /nfs/dbraw/zinc/83/06/12/557830612.db2.gz CJWDYWYCKUFXBR-UHFFFAOYSA-N 0 0 415.927 4.787 50 0 HJAARN O=C(NC1CCCCC1)C1(N(C(=O)c2ccccn2)c2ccccc2)CCCCC1 ZINC000002457483 557835230 /nfs/dbraw/zinc/83/52/30/557835230.db2.gz NVUSAXWWDRHWSO-UHFFFAOYSA-N 0 0 405.542 4.880 50 0 HJAARN CCc1nnc(NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)s1 ZINC000009355772 557838607 /nfs/dbraw/zinc/83/86/07/557838607.db2.gz BSMFSDMLLNRQND-UHFFFAOYSA-N 0 0 421.309 4.912 50 0 HJAARN COc1ccc(-c2nnc3sc(-c4cc(Cl)ccc4Cl)nn32)cc1OC ZINC000009583276 557846158 /nfs/dbraw/zinc/84/61/58/557846158.db2.gz ONJKBTDDRQCITQ-UHFFFAOYSA-N 0 0 407.282 4.844 50 0 HJAARN CC(C)n1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1cc2ccccc2o1 ZINC000009595081 557846545 /nfs/dbraw/zinc/84/65/45/557846545.db2.gz XEYDDMAWPJVXCS-UHFFFAOYSA-N 0 0 417.494 4.801 50 0 HJAARN COc1ccccc1-c1nnc(SCC(=O)Nc2cc(Cl)ccc2Cl)n1C ZINC000009614789 557847067 /nfs/dbraw/zinc/84/70/67/557847067.db2.gz SCRQNXNHUPJZLT-UHFFFAOYSA-N 0 0 423.325 4.528 50 0 HJAARN CC(C)Sc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000009669074 557848042 /nfs/dbraw/zinc/84/80/42/557848042.db2.gz PNBKGTZAICYGAE-UHFFFAOYSA-N 0 0 405.523 4.764 50 0 HJAARN C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCOc1ccc(Cl)cc1 ZINC000011667265 558269306 /nfs/dbraw/zinc/26/93/06/558269306.db2.gz UMIVNAJOIBSMRA-HNNXBMFYSA-N 0 0 409.873 4.853 50 0 HJAARN CCN1c2ccc(S(=O)(=O)Oc3cc(Cl)ccc3Cl)c3cccc(c23)C1=O ZINC000011691616 558270254 /nfs/dbraw/zinc/27/02/54/558270254.db2.gz DSANGIKSAMOHFR-UHFFFAOYSA-N 0 0 422.289 4.894 50 0 HJAARN O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000011753430 558272254 /nfs/dbraw/zinc/27/22/54/558272254.db2.gz 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CC(=O)c1ccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2cccc(C)n2)s1 ZINC000011938194 558301610 /nfs/dbraw/zinc/30/16/10/558301610.db2.gz TWQQOQLMWWXCGB-QHCPKHFHSA-N 0 0 415.518 4.923 50 0 HJAARN COc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1Cc1cnc(SC)nc1 ZINC000011946230 558302106 /nfs/dbraw/zinc/30/21/06/558302106.db2.gz RGIKXJSANOSRTQ-QHCPKHFHSA-N 0 0 416.550 4.836 50 0 HJAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)C3=CCCCC3)C2)cc1Cl ZINC000011956255 558303555 /nfs/dbraw/zinc/30/35/55/558303555.db2.gz JQVDROBTIWKGSC-INIZCTEOSA-N 0 0 404.938 4.806 50 0 HJAARN O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(CN2CCOCC2)cc1 ZINC000019922487 558307396 /nfs/dbraw/zinc/30/73/96/558307396.db2.gz BVVDQHUBZZJEQQ-UHFFFAOYSA-N 0 0 408.542 4.584 50 0 HJAARN CCc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCc2cnn(C)c2)cc1 ZINC000012057525 558316388 /nfs/dbraw/zinc/31/63/88/558316388.db2.gz JXDBYORNLUUTHO-SANMLTNESA-N 0 0 412.537 4.571 50 0 HJAARN CC[C@H](C(=O)Nc1ccccc1C(F)(F)F)n1nc(-c2ccccc2)ccc1=O ZINC000020095355 558330989 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CCOC(=O)[C@H](C)Sc1nnc(Cc2ccccc2)n1-c1cccc(Cl)c1 ZINC000004359031 558447662 /nfs/dbraw/zinc/44/76/62/558447662.db2.gz CMWYGWCNOQLDRO-AWEZNQCLSA-N 0 0 401.919 4.555 50 0 HJAARN O=C(NC[C@@H](c1ccccc1Cl)N1CCCCC1)c1cc(-c2ccccc2)on1 ZINC000021805387 558450485 /nfs/dbraw/zinc/45/04/85/558450485.db2.gz QUPUOQUVOKJILD-NRFANRHFSA-N 0 0 409.917 4.952 50 0 HJAARN O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1cc(-c2cccs2)on1 ZINC000021805450 558450625 /nfs/dbraw/zinc/45/06/25/558450625.db2.gz WSORETWKEXYVDF-KRWDZBQOSA-N 0 0 401.919 4.623 50 0 HJAARN Cc1ncsc1CCC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1C ZINC000012710872 558452123 /nfs/dbraw/zinc/45/21/23/558452123.db2.gz PGPDKYGBASFXIE-SFHVURJKSA-N 0 0 408.571 4.708 50 0 HJAARN CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3cccc4ccccc43)n2)s1 ZINC000021902026 558454806 /nfs/dbraw/zinc/45/48/06/558454806.db2.gz KQFSSTVPOGLPPU-UHFFFAOYSA-N 0 0 421.547 4.842 50 0 HJAARN O=C(c1ccccc1OC1CCN(Cc2c(F)cccc2Cl)CC1)N1CCCC1 ZINC000012718486 558455917 /nfs/dbraw/zinc/45/59/17/558455917.db2.gz XGGOZIVSPHDFPF-UHFFFAOYSA-N 0 0 416.924 4.759 50 0 HJAARN Cc1noc(C)c1COc1cccc(C(=O)Nc2cc3c(cc2Cl)OCCO3)c1 ZINC000021975482 558456897 /nfs/dbraw/zinc/45/68/97/558456897.db2.gz MMCQYYBWBHUZOQ-UHFFFAOYSA-N 0 0 414.845 4.547 50 0 HJAARN CCN(CC)c1ccc(-c2nnc(S[C@H](C)c3nc4ccccc4c(=O)[nH]3)o2)cc1 ZINC000022025501 558458836 /nfs/dbraw/zinc/45/88/36/558458836.db2.gz HGCCFEDRRRZAEK-CQSZACIVSA-N 0 0 421.526 4.673 50 0 HJAARN CCn1c(S[C@@H](C)C(=O)c2cccc(Cl)c2)nnc1-c1ccc(OC)cc1 ZINC000012777635 558462769 /nfs/dbraw/zinc/46/27/69/558462769.db2.gz IHQFZHJWVKZSIU-ZDUSSCGKSA-N 0 0 401.919 4.991 50 0 HJAARN COc1ccccc1-c1nc(CN(C)CC(=O)Nc2c(C)cc(C)cc2C)cs1 ZINC000012795858 558468592 /nfs/dbraw/zinc/46/85/92/558468592.db2.gz WZUYHAGKHPZLHJ-UHFFFAOYSA-N 0 0 409.555 4.814 50 0 HJAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000012797441 558470010 /nfs/dbraw/zinc/47/00/10/558470010.db2.gz VOOYFMDVNWRGCE-LLVKDONJSA-N 0 0 422.337 4.553 50 0 HJAARN CCc1cccc(C)c1NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000012798366 558470501 /nfs/dbraw/zinc/47/05/01/558470501.db2.gz VHFLOEFBKVDMTO-RTBURBONSA-N 0 0 408.542 4.978 50 0 HJAARN Cc1nc(NC(=O)c2ccc(F)cc2Cl)sc1Cc1ccc2c(c1)OCO2 ZINC000012799143 558470795 /nfs/dbraw/zinc/47/07/95/558470795.db2.gz YDKVKTWULPDCJZ-UHFFFAOYSA-N 0 0 404.850 4.816 50 0 HJAARN Cc1cccc(-n2nnnc2S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c1C ZINC000012805498 558473481 /nfs/dbraw/zinc/47/34/81/558473481.db2.gz OUQDMXZTNVZUOT-GFCCVEGCSA-N 0 0 422.341 4.705 50 0 HJAARN COc1cccc([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000012812103 558475035 /nfs/dbraw/zinc/47/50/35/558475035.db2.gz QZVXKQLHYIWYPV-MRXNPFEDSA-N 0 0 419.852 4.893 50 0 HJAARN O=C(NCCc1csc(-c2cccc(F)c2)n1)c1cccc(Br)c1 ZINC000004375415 558476088 /nfs/dbraw/zinc/47/60/88/558476088.db2.gz BNWZGPZXZUMDQI-UHFFFAOYSA-N 0 0 405.292 4.684 50 0 HJAARN CCOc1c(Cl)cc(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)cc1OC ZINC000012819982 558476753 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C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(I)cc1 ZINC000012993467 558497439 /nfs/dbraw/zinc/49/74/39/558497439.db2.gz ADWVHGXERHSJNT-LLVKDONJSA-N 0 0 422.291 4.734 50 0 HJAARN CCOc1ccccc1NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000013013826 558503636 /nfs/dbraw/zinc/50/36/36/558503636.db2.gz XMLSMIJTZAQZBH-QZTJIDSGSA-N 0 0 410.514 4.506 50 0 HJAARN CCN(CC(=O)Nc1ccc(-c2ccccc2)cc1)CC(=O)Nc1c(F)cccc1F ZINC000013016340 558504053 /nfs/dbraw/zinc/50/40/53/558504053.db2.gz JYWPWENJSRGOLY-UHFFFAOYSA-N 0 0 423.463 4.531 50 0 HJAARN CC(C)(C)c1ccc([C@]2(C)NC(=O)N(Cc3coc(-c4cccs4)n3)C2=O)cc1 ZINC000013039425 558506204 /nfs/dbraw/zinc/50/62/04/558506204.db2.gz LRRDSVOMEGMISU-QFIPXVFZSA-N 0 0 409.511 4.668 50 0 HJAARN O=C(NC1CC1)c1cc(SCc2nc(-c3ccc(F)cc3)no2)nc2ccccc21 ZINC000022747841 558507099 /nfs/dbraw/zinc/50/70/99/558507099.db2.gz ZDVYBUQKSYHJNB-UHFFFAOYSA-N 0 0 420.469 4.608 50 0 HJAARN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(Cc2ccsc2)CC1 ZINC000022784112 558510586 /nfs/dbraw/zinc/51/05/86/558510586.db2.gz BBYHXFVRJYMNBW-IBGZPJMESA-N 0 0 405.567 4.560 50 0 HJAARN CCOc1cc(/C=C2\N=C(c3cccc(OC(F)F)c3)OC2=O)cc(Cl)c1OC ZINC000013063603 558510707 /nfs/dbraw/zinc/51/07/07/558510707.db2.gz YUWOKRICQSNQTB-NVNXTCNLSA-N 0 0 423.799 4.693 50 0 HJAARN Cc1cccc(NC(=O)CN(C)Cn2nc(-c3ccccc3Cl)oc2=S)c1C ZINC000013073372 558511917 /nfs/dbraw/zinc/51/19/17/558511917.db2.gz QZNWEMBEOKNQAS-UHFFFAOYSA-N 0 0 416.934 4.671 50 0 HJAARN Cc1noc(C)c1CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1 ZINC000004412280 558515272 /nfs/dbraw/zinc/51/52/72/558515272.db2.gz ISFLVFGIQKFVNW-UHFFFAOYSA-N 0 0 411.914 4.995 50 0 HJAARN CCOc1cc(Br)c(COc2ccc(-c3nnco3)cc2)cc1OCC ZINC000013112366 558515578 /nfs/dbraw/zinc/51/55/78/558515578.db2.gz XYDDGLDKBJLUNW-UHFFFAOYSA-N 0 0 419.275 4.876 50 0 HJAARN O=C(Nc1ccc2c(c1)CCC2)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000013124475 558518015 /nfs/dbraw/zinc/51/80/15/558518015.db2.gz MVMOSZFLDVTONJ-FUHWJXTLSA-N 0 0 416.403 4.877 50 0 aggregator HJAARN C[C@@H](Sc1nnc(C(F)(F)F)n1C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000013141238 558522150 /nfs/dbraw/zinc/52/21/50/558522150.db2.gz LBESYRQCCQTZNA-GFCCVEGCSA-N 0 0 422.432 4.746 50 0 HJAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)OCC(=O)c3ccc(F)cc3)c2n1 ZINC000013148998 558523685 /nfs/dbraw/zinc/52/36/85/558523685.db2.gz WNOATXWFTAGMQL-UHFFFAOYSA-N 0 0 422.239 4.794 50 0 HJAARN Clc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=N3)cc1 ZINC000013212978 558525964 /nfs/dbraw/zinc/52/59/64/558525964.db2.gz RFOPSMHGICGNHZ-YADHBBJMSA-N 0 0 413.868 4.539 50 0 HJAARN COc1ccc(CCNC(=O)c2cnn(-c3cccc(Cl)c3)c2C(F)(F)F)cc1 ZINC000022967048 558528264 /nfs/dbraw/zinc/52/82/64/558528264.db2.gz ZLJAJOJVGKTNQE-UHFFFAOYSA-N 0 0 423.822 4.526 50 0 HJAARN Cc1ccccc1SCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000023077500 558533449 /nfs/dbraw/zinc/53/34/49/558533449.db2.gz VWAIQKOXXASFLW-UHFFFAOYSA-N 0 0 410.461 4.581 50 0 HJAARN O=C(CSc1n[nH]c(-c2ccccn2)n1)N1c2ccccc2Sc2ccccc21 ZINC000013494708 558534746 /nfs/dbraw/zinc/53/47/46/558534746.db2.gz OCCWVBAJRAQPEY-UHFFFAOYSA-N 0 0 417.519 4.788 50 0 HJAARN COc1ccc(C(=O)Nc2nc(-c3c(C)n(C)c4ccc(OC)cc43)cs2)cc1 ZINC000013550438 558538958 /nfs/dbraw/zinc/53/89/58/558538958.db2.gz PMBSDGRSULQQPE-UHFFFAOYSA-N 0 0 407.495 4.880 50 0 HJAARN O=C(c1cc(-c2cccs2)nc2ccccc21)N1CCN(Cc2ccccc2)CC1 ZINC000023379345 558555289 /nfs/dbraw/zinc/55/52/89/558555289.db2.gz YMBPUMPWCZYWTJ-UHFFFAOYSA-N 0 0 413.546 4.921 50 0 HJAARN O=C(Nc1ccc(C(=O)OCc2cc(-c3cccs3)on2)s1)c1ccco1 ZINC000023576562 558562789 /nfs/dbraw/zinc/56/27/89/558562789.db2.gz VRRCGGFRIIEZQW-UHFFFAOYSA-N 0 0 400.437 4.667 50 0 HJAARN COc1ccc([C@H](CNC(=O)c2cccc(OC)c2)c2c[nH]c3ccccc32)cc1 ZINC000023573167 558562814 /nfs/dbraw/zinc/56/28/14/558562814.db2.gz AJVSQVXQCTVFFY-QFIPXVFZSA-N 0 0 400.478 4.747 50 0 biogenic HJAARN CCCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1cccc(C)c1 ZINC000023634805 558564087 /nfs/dbraw/zinc/56/40/87/558564087.db2.gz OHGWEVLVTHYNHR-OAHLLOKOSA-N 0 0 405.527 4.753 50 0 HJAARN CC(C)N1COc2ccc3cc(-c4ccccc4OC(F)(F)F)c(=O)oc3c2C1 ZINC000013690460 558572618 /nfs/dbraw/zinc/57/26/18/558572618.db2.gz UUNANLHTNZYSGZ-UHFFFAOYSA-N 0 0 405.372 4.919 50 0 HJAARN CC[C@@H](Oc1ccccc1)c1nn2c(nnc2-c2cncc(Br)c2)s1 ZINC000013690948 558572765 /nfs/dbraw/zinc/57/27/65/558572765.db2.gz VTYQGDCASSFKPB-CQSZACIVSA-N 0 0 416.304 4.540 50 0 HJAARN COc1cccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccc4nccnc4c3)C2)c1 ZINC000013691240 558573158 /nfs/dbraw/zinc/57/31/58/558573158.db2.gz UWNLBXJYRMSPNE-OAQYLSRUSA-N 0 0 414.490 4.691 50 0 HJAARN CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@@H]3CC[C@@]21C ZINC000003978020 558575997 /nfs/dbraw/zinc/57/59/97/558575997.db2.gz UWFYSQMTEOIJJG-PIDLQVJFSA-N 0 0 416.945 4.608 50 0 HJAARN Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccncc4)CC3)c3ccccc3n2)cc1 ZINC000023800773 558576115 /nfs/dbraw/zinc/57/61/15/558576115.db2.gz MAPXNHARUHJJLD-UHFFFAOYSA-N 0 0 422.532 4.563 50 0 HJAARN C[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000023873050 558578942 /nfs/dbraw/zinc/57/89/42/558578942.db2.gz VNGUSSDYXGOPJD-NLFFAJNJSA-N 0 0 400.522 4.545 50 0 HJAARN CC(C)N1COc2ccc3c(=O)c(Oc4ccccc4Br)coc3c2C1 ZINC000013726764 558584768 /nfs/dbraw/zinc/58/47/68/558584768.db2.gz ZIJNFUJCSLAPKB-UHFFFAOYSA-N 0 0 416.271 4.908 50 0 HJAARN O=C(Nc1cccc(NC(=O)c2cc3c(c(Cl)c2)OCO3)c1)c1cccs1 ZINC000024028798 558585171 /nfs/dbraw/zinc/58/51/71/558585171.db2.gz XXUKBCTXWSKBMC-UHFFFAOYSA-N 0 0 400.843 4.635 50 0 HJAARN COc1ccc(-c2nc(CC(=O)N[C@@H](C)Cc3c[nH]c4ccccc34)cs2)cc1 ZINC000013731571 558586885 /nfs/dbraw/zinc/58/68/85/558586885.db2.gz FDENCJIVKDISNQ-HNNXBMFYSA-N 0 0 405.523 4.590 50 0 HJAARN CC(C)Cc1cc(-c2nnc3sc(COc4ccc5ccccc5c4)nn32)n[nH]1 ZINC000013735774 558588377 /nfs/dbraw/zinc/58/83/77/558588377.db2.gz MPNGRVIYACGKLJ-UHFFFAOYSA-N 0 0 404.499 4.507 50 0 HJAARN O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000024090762 558588533 /nfs/dbraw/zinc/58/85/33/558588533.db2.gz PESVTZDVXQMBAM-UHFFFAOYSA-N 0 0 417.305 4.871 50 0 HJAARN COC(=O)c1ccoc1CSc1nc2ccccc2c(=O)n1-c1c(C)cccc1C ZINC000024103438 558589205 /nfs/dbraw/zinc/58/92/05/558589205.db2.gz PQRIZVGRMFQPBG-UHFFFAOYSA-N 0 0 420.490 4.674 50 0 HJAARN Cc1ccccc1NC(=O)c1cc2c(CO)cnc(C)c2o/c1=N\c1cccc(F)c1 ZINC000004467757 558593990 /nfs/dbraw/zinc/59/39/90/558593990.db2.gz UPQIKRACYKIPMM-PNHLSOANSA-N 0 0 417.440 4.561 50 0 HJAARN O=C(Cc1cn2ccsc2n1)N[C@@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000024277787 558594092 /nfs/dbraw/zinc/59/40/92/558594092.db2.gz YAYNMZBGKSZJSB-OAQYLSRUSA-N 0 0 407.564 4.784 50 0 HJAARN O=C(N[C@@H](NCCc1ccccc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000024302794 558594836 /nfs/dbraw/zinc/59/48/36/558594836.db2.gz TZAWROXJAKCLJW-MRXNPFEDSA-N 0 0 406.140 4.598 50 0 HJAARN Cc1nc(COc2cccc(C(=O)OCc3ccc(-n4cccn4)cc3)c2)cs1 ZINC000024359764 558595969 /nfs/dbraw/zinc/59/59/69/558595969.db2.gz SYBNQXCTGKPGIW-UHFFFAOYSA-N 0 0 405.479 4.573 50 0 HJAARN COc1ccc([C@@H]2CCCCCN2C(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000024393085 558596969 /nfs/dbraw/zinc/59/69/69/558596969.db2.gz RCKDIQAPYZWDSU-NRFANRHFSA-N 0 0 416.562 4.786 50 0 HJAARN CCc1cccc(CC)c1NC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 ZINC000024443267 558597661 /nfs/dbraw/zinc/59/76/61/558597661.db2.gz VIHLJSXWNAISPB-UHFFFAOYSA-N 0 0 412.489 4.860 50 0 HJAARN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1F)c1ccccc1 ZINC000013856331 558598252 /nfs/dbraw/zinc/59/82/52/558598252.db2.gz IWAUZXMJXDEUIQ-UHFFFAOYSA-N 0 0 404.850 4.532 50 0 HJAARN COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)OCc2c(C)noc2C)c1 ZINC000024519827 558599875 /nfs/dbraw/zinc/59/98/75/558599875.db2.gz LDJNRXIFCVEUPO-UHFFFAOYSA-N 0 0 417.465 4.569 50 0 HJAARN O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000013936073 558603820 /nfs/dbraw/zinc/60/38/20/558603820.db2.gz ADKZEXUKVBGXBN-UHFFFAOYSA-N 0 0 417.943 4.950 50 0 HJAARN NC(=O)c1cc2cc(Cl)cc(Cl)c2o/c1=N\c1ccc(Br)cc1 ZINC000013940660 558604261 /nfs/dbraw/zinc/60/42/61/558604261.db2.gz GJFHIHTTZBDBTR-PGMHBOJBSA-N 0 0 412.070 4.833 50 0 HJAARN CC(C)c1ccccc1NC(=O)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 ZINC000013944739 558606346 /nfs/dbraw/zinc/60/63/46/558606346.db2.gz RKKXARNTYYSJSB-QGZVFWFLSA-N 0 0 423.944 4.974 50 0 HJAARN O=C(CN1CCC[C@H](c2nc3ccccc3o2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000024662586 558606778 /nfs/dbraw/zinc/60/67/78/558606778.db2.gz YQYSVNDBCLPLCT-AWEZNQCLSA-N 0 0 419.403 4.545 50 0 HJAARN Cc1csc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)n1 ZINC000013945814 558607135 /nfs/dbraw/zinc/60/71/35/558607135.db2.gz DNPQHXRJCHUUBI-UHFFFAOYSA-N 0 0 419.535 4.701 50 0 HJAARN COc1ccc(NC(=O)N2CCC(c3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000004494040 558609954 /nfs/dbraw/zinc/60/99/54/558609954.db2.gz QTSZFNKFKBLRCC-UHFFFAOYSA-N 0 0 412.877 4.810 50 0 HJAARN O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000024756919 558610597 /nfs/dbraw/zinc/61/05/97/558610597.db2.gz VKHWKTJINVQDSV-CJNGLKHVSA-N 0 0 422.934 4.635 50 0 HJAARN C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000024813242 558613507 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COc1ccc(OC)c(C(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1 ZINC000024991584 558626174 /nfs/dbraw/zinc/62/61/74/558626174.db2.gz BMMTVDKWXXLDJS-KRWDZBQOSA-N 0 0 418.493 4.789 50 0 HJAARN S=c1oc(-c2cccnc2)nn1CN1CCc2sccc2[C@@H]1c1cccs1 ZINC000014182893 558629005 /nfs/dbraw/zinc/62/90/05/558629005.db2.gz GBLIURWFNHTNIG-QGZVFWFLSA-N 0 0 412.565 4.996 50 0 HJAARN O=C(CN(Cc1ccco1)C(=O)Cc1ccc(Cl)c(Cl)c1)Nc1ccccc1 ZINC000014185651 558630769 /nfs/dbraw/zinc/63/07/69/558630769.db2.gz RCAOPDQRVPFMJL-UHFFFAOYSA-N 0 0 417.292 4.796 50 0 HJAARN COc1ccc([C@H]2CCCN2Cn2nc(-c3cccc(C)c3)n(C)c2=S)c(OC)c1 ZINC000014185897 558631026 /nfs/dbraw/zinc/63/10/26/558631026.db2.gz JRTZKNKIQMMQTP-HXUWFJFHSA-N 0 0 424.570 4.738 50 0 HJAARN COc1ccc([C@@H]2CCCN2Cn2nc(-c3cccc(C)c3)n(C)c2=S)c(OC)c1 ZINC000014185895 558631036 /nfs/dbraw/zinc/63/10/36/558631036.db2.gz JRTZKNKIQMMQTP-FQEVSTJZSA-N 0 0 424.570 4.738 50 0 HJAARN Cc1ccccc1-n1cnnc1SC[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000025093215 558631383 /nfs/dbraw/zinc/63/13/83/558631383.db2.gz HRWIATNXHGEANV-SFHVURJKSA-N 0 0 414.534 4.837 50 0 HJAARN COc1ccccc1N(C(C)=O)c1nc(COC(=O)c2c(C)oc(C)c2C)cs1 ZINC000014197537 558634236 /nfs/dbraw/zinc/63/42/36/558634236.db2.gz AUCYKJSULHGKSH-UHFFFAOYSA-N 0 0 414.483 4.712 50 0 HJAARN C[C@H]1CCc2nc(NC(=O)c3ccccc3OCc3cn4ccccc4n3)sc2C1 ZINC000025280201 558636542 /nfs/dbraw/zinc/63/65/42/558636542.db2.gz BRIKJZSKDPTGOF-HNNXBMFYSA-N 0 0 418.522 4.747 50 0 HJAARN COc1ccc(CCC(=O)Nc2ccccc2C(=O)N(C)Cc2cccc(F)c2)cc1 ZINC000014202045 558637410 /nfs/dbraw/zinc/63/74/10/558637410.db2.gz SNYPVCPWEIXBHD-UHFFFAOYSA-N 0 0 420.484 4.678 50 0 HJAARN C[C@@H](NC(=S)Nc1ccc(Cl)cc1Cl)[C@H](c1ccccc1)N1CCOCC1 ZINC000025329185 558638134 /nfs/dbraw/zinc/63/81/34/558638134.db2.gz BIFGJZQFTVKJMP-AUUYWEPGSA-N 0 0 424.397 4.742 50 0 HJAARN CC[C@H](c1nnc(SCc2cc(-c3ccco3)on2)n1Cc1ccccc1)N(C)C ZINC000014244640 558645869 /nfs/dbraw/zinc/64/58/69/558645869.db2.gz QRUFEVADHITNQG-GOSISDBHSA-N 0 0 423.542 4.879 50 0 HJAARN O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Nc1ccc2c(c1)OCO2 ZINC000014250989 558649939 /nfs/dbraw/zinc/64/99/39/558649939.db2.gz IEWFYTCWUUPDHX-UHFFFAOYSA-N 0 0 406.385 4.739 50 0 HJAARN CCc1ccc(-c2nc(CN3CCC(NC(=O)c4ccccc4)CC3)cs2)cc1 ZINC000014255224 558651418 /nfs/dbraw/zinc/65/14/18/558651418.db2.gz RCFIQOTZXXNRCM-UHFFFAOYSA-N 0 0 405.567 4.767 50 0 HJAARN CN(Cc1csc(COc2ccc(Cl)cc2)n1)Cc1ccc2c(c1)OCO2 ZINC000025926265 558652295 /nfs/dbraw/zinc/65/22/95/558652295.db2.gz STTYMSZFRRADSS-UHFFFAOYSA-N 0 0 402.903 4.736 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000025988462 558653164 /nfs/dbraw/zinc/65/31/64/558653164.db2.gz FJFKQTBQAQEJAX-UHFFFAOYSA-N 0 0 416.447 4.850 50 0 HJAARN O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)C1CCN(C(=O)C2CC2)CC1 ZINC000014377395 558653831 /nfs/dbraw/zinc/65/38/31/558653831.db2.gz RZKBGSOWWWPCQF-UHFFFAOYSA-N 0 0 421.522 4.676 50 0 HJAARN C[C@@H](OC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)N1CCCc2ccccc21 ZINC000026412796 558660650 /nfs/dbraw/zinc/66/06/50/558660650.db2.gz DINZTIOUHRKVJP-MRXNPFEDSA-N 0 0 424.497 4.558 50 0 HJAARN CCc1ccc([C@H](NC(=O)c2ccc3c(c2)nnn3CC)c2cccc(F)c2)cc1 ZINC000014632855 558662424 /nfs/dbraw/zinc/66/24/24/558662424.db2.gz CMCIFZMCLRVEBN-QHCPKHFHSA-N 0 0 402.473 4.672 50 0 HJAARN Cc1cc(C)cc(NC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)c1 ZINC000026563243 558663179 /nfs/dbraw/zinc/66/31/79/558663179.db2.gz SFSLRHZPLYSMJP-JOCHJYFZSA-N 0 0 403.482 4.834 50 0 HJAARN COC(=O)Nc1sc(=Nc2ccccc2)n(C[C@H]2CCCO2)c1-c1ccccc1 ZINC000026688377 558664360 /nfs/dbraw/zinc/66/43/60/558664360.db2.gz VDSGDPOQITZNNN-GLEDVZQVSA-N 0 0 409.511 4.806 50 0 HJAARN O=C(c1cccc(NCc2nc(-c3ccc(C(F)(F)F)cc3)no2)c1)N1CCCC1 ZINC000026806480 558665424 /nfs/dbraw/zinc/66/54/24/558665424.db2.gz BJCKGIRCUWZNFK-UHFFFAOYSA-N 0 0 416.403 4.604 50 0 HJAARN O=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2nc3ccccc3o2)cc1 ZINC000026926844 558667271 /nfs/dbraw/zinc/66/72/71/558667271.db2.gz NFYYOGQMLHJQSU-UHFFFAOYSA-N 0 0 401.466 4.515 50 0 HJAARN C[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(NC(=O)C2CC2)cc1 ZINC000027292350 558671535 /nfs/dbraw/zinc/67/15/35/558671535.db2.gz JFLZADRUCFJNMR-INIZCTEOSA-N 0 0 403.482 4.500 50 0 HJAARN CNC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc(C)c(C)c3)on1)CCCC2 ZINC000027582349 558676037 /nfs/dbraw/zinc/67/60/37/558676037.db2.gz CFQAZPDPADYMKF-UHFFFAOYSA-N 0 0 409.511 4.511 50 0 HJAARN CCNC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc(C)cc3)on1)CCCC2 ZINC000027662611 558678458 /nfs/dbraw/zinc/67/84/58/558678458.db2.gz FCFLKNSAWFUCFP-UHFFFAOYSA-N 0 0 409.511 4.592 50 0 HJAARN Cc1cccc(OCC(=O)Nc2cc(-c3ccc(Br)cc3)no2)c1C ZINC000027743961 558680924 /nfs/dbraw/zinc/68/09/24/558680924.db2.gz FCISZBGOABKZTE-UHFFFAOYSA-N 0 0 401.260 4.738 50 0 HJAARN Cc1ccc(-c2nnc(SCC(=O)NC3CCCC3)n2-c2ccccc2C)cc1 ZINC000027752900 558681884 /nfs/dbraw/zinc/68/18/84/558681884.db2.gz UYUOHFDCBXRZQT-UHFFFAOYSA-N 0 0 406.555 4.702 50 0 HJAARN O=C(c1cc(COc2c(F)cccc2F)on1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000014955398 558682148 /nfs/dbraw/zinc/68/21/48/558682148.db2.gz YYUGWRPUHIKTBP-QGZVFWFLSA-N 0 0 412.436 4.942 50 0 HJAARN CC(C)c1noc([C@H](C)Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)n1 ZINC000027776509 558682329 /nfs/dbraw/zinc/68/23/29/558682329.db2.gz AFKMTEIEWZMXAU-STQMWFEESA-N 0 0 405.549 4.545 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)c2ccoc2C)C1 ZINC000014956096 558682580 /nfs/dbraw/zinc/68/25/80/558682580.db2.gz YUVFQPPZCXWJEG-OAHLLOKOSA-N 0 0 404.894 4.521 50 0 HJAARN O=C(Nc1ccccc1C(F)(F)F)c1cc(=O)c2ccc(Br)cc2o1 ZINC000027793942 558682845 /nfs/dbraw/zinc/68/28/45/558682845.db2.gz HVYBEUMKBBQBPD-UHFFFAOYSA-N 0 0 412.161 4.827 50 0 HJAARN COCc1ccc(C(=O)NC[C@H]2Cc3cc(C)cc(-c4ccc(Cl)cc4)c3O2)o1 ZINC000014957758 558682925 /nfs/dbraw/zinc/68/29/25/558682925.db2.gz YLKWRULDRFKXAN-LJQANCHMSA-N 0 0 411.885 4.788 50 0 HJAARN CC(=O)Nc1c(-c2ccc(C)cc2)nc2c(Br)cc(Br)cn12 ZINC000027794661 558683017 /nfs/dbraw/zinc/68/30/17/558683017.db2.gz BUVJFTRSSHXCRK-UHFFFAOYSA-N 0 0 423.108 4.793 50 0 HJAARN CCCSc1ncc(Br)c(C(=O)Nc2ccc(C)c(Cl)c2)n1 ZINC000027795439 558683256 /nfs/dbraw/zinc/68/32/56/558683256.db2.gz UFFOFBJJDXLOJY-UHFFFAOYSA-N 0 0 400.729 4.955 50 0 HJAARN Cn1c(SCC2CCCCC2)nnc1[C@H](Cc1ccccc1)NC(=O)C1CCC1 ZINC000014963887 558684908 /nfs/dbraw/zinc/68/49/08/558684908.db2.gz CDCQSGXNSUIEDH-FQEVSTJZSA-N 0 0 412.603 4.688 50 0 HJAARN O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1ccccc1C(F)(F)F ZINC000014980083 558690908 /nfs/dbraw/zinc/69/09/08/558690908.db2.gz ICCYJMPULXYONR-QGZVFWFLSA-N 0 0 403.379 4.838 50 0 HJAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1SCc1cn2ccccc2n1 ZINC000028262319 558693997 /nfs/dbraw/zinc/69/39/97/558693997.db2.gz QBGFDSZYKCOSHS-UHFFFAOYSA-N 0 0 417.490 4.650 50 0 HJAARN Cc1ccc(OCC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1C ZINC000028288001 558695100 /nfs/dbraw/zinc/69/51/00/558695100.db2.gz NKBBTEINPROHOE-UHFFFAOYSA-N 0 0 400.931 4.818 50 0 HJAARN CCc1ccc2oc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)cc(=O)c2c1 ZINC000028289831 558696488 /nfs/dbraw/zinc/69/64/88/558696488.db2.gz SNEZSWJAPSURSX-FQEVSTJZSA-N 0 0 424.928 4.576 50 0 HJAARN CC(C)c1ccc([C@H](CNC(=O)c2ccc(C(C)(C)C)cc2)N2CCOCC2)cc1 ZINC000028290479 558696742 /nfs/dbraw/zinc/69/67/42/558696742.db2.gz FUUQLVJXOIELHU-DEOSSOPVSA-N 0 0 408.586 4.911 50 0 HJAARN CC[C@H](NC(=O)Nc1ccc(F)cc1)c1noc(-c2cccc(Br)c2)n1 ZINC000072275177 558701448 /nfs/dbraw/zinc/70/14/48/558701448.db2.gz BSJFVRXIWOXZLO-HNNXBMFYSA-N 0 0 419.254 4.911 50 0 HJAARN C[C@@H](Nc1ccc(Oc2ccccc2Cl)cc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000028626137 558702756 /nfs/dbraw/zinc/70/27/56/558702756.db2.gz PXZPTPMJLWKJQV-OAHLLOKOSA-N 0 0 421.884 4.918 50 0 HJAARN COc1ccc(I)cc1[C@@H]1Nc2ccc(C)cc2[C@H]2OCC[C@H]21 ZINC000015018268 558702944 /nfs/dbraw/zinc/70/29/44/558702944.db2.gz KSIGRBLBFVYMPH-BKTGTZMESA-N 0 0 421.278 4.853 50 0 HJAARN Cn1c(CN2CCC[C@H](CCC(=O)NCc3ccccc3Cl)C2)nc2ccccc21 ZINC000015063177 558705883 /nfs/dbraw/zinc/70/58/83/558705883.db2.gz RNMWHIHMICACKU-GOSISDBHSA-N 0 0 424.976 4.535 50 0 HJAARN COc1cccc(-c2nc(C(=O)OCc3nc4ccccc4s3)cs2)c1OC ZINC000029520193 558716271 /nfs/dbraw/zinc/71/62/71/558716271.db2.gz PWKOIEGMQXWMEE-UHFFFAOYSA-N 0 0 412.492 4.794 50 0 HJAARN COc1cccc(-c2nc(C(=O)Nc3nc4c(s3)CCCCC4)cs2)c1OC ZINC000029609671 558717793 /nfs/dbraw/zinc/71/77/93/558717793.db2.gz VWMXUNSDQACIHK-UHFFFAOYSA-N 0 0 415.540 4.805 50 0 HJAARN Cc1cccc(NC(=O)c2c3c(sc2NC(=O)CN2CCCC[C@H]2C)CCC3)c1 ZINC000004554481 558722243 /nfs/dbraw/zinc/72/22/43/558722243.db2.gz ZJNGICXZKOIDTB-MRXNPFEDSA-N 0 0 411.571 4.610 50 0 HJAARN CN(Cc1cnn(Cc2ccccc2)c1)c1nc(-c2cccnc2)nc2ccccc21 ZINC000015143560 558725548 /nfs/dbraw/zinc/72/55/48/558725548.db2.gz ZFTRJQXEGKLLLN-UHFFFAOYSA-N 0 0 406.493 4.573 50 0 HJAARN Cc1ccc(CN2c3ccccc3[C@](O)(CC(=O)c3ccc(Cl)cc3)C2=O)c(C)c1 ZINC000004556256 558725552 /nfs/dbraw/zinc/72/55/52/558725552.db2.gz MWAWYFFGZHKIOL-RUZDIDTESA-N 0 0 419.908 4.964 50 0 HJAARN C[C@@H](NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccccc1Cl ZINC000015310107 558731668 /nfs/dbraw/zinc/73/16/68/558731668.db2.gz OQIMFYMOSACETL-OXQOHEQNSA-N 0 0 414.933 4.516 50 0 HJAARN Cc1c(CCNC(=O)c2cccc(Cl)c2)sc2nc(-c3ccc(C)cc3)nn12 ZINC000004570208 558734832 /nfs/dbraw/zinc/73/48/32/558734832.db2.gz MPSZDRLYDZFMRN-UHFFFAOYSA-N 0 0 410.930 4.701 50 0 HJAARN O=C(CN[C@@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(Br)cc1 ZINC000015358495 558735557 /nfs/dbraw/zinc/73/55/57/558735557.db2.gz AFMMGAYMLJFMHN-LJQANCHMSA-N 0 0 419.319 4.967 50 0 HJAARN COc1ccc([C@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2cc(C)ccc2C)cc1 ZINC000015413201 558738466 /nfs/dbraw/zinc/73/84/66/558738466.db2.gz AYLRVICSWMKFOW-VWLOTQADSA-N 0 0 414.505 4.742 50 0 HJAARN Cc1oc2cc3oc(=O)c(CCC(=O)N4CCc5ccccc5C4)c(C)c3cc2c1C ZINC000030819219 558738885 /nfs/dbraw/zinc/73/88/85/558738885.db2.gz BFBPTKIQTKNIJZ-UHFFFAOYSA-N 0 0 415.489 4.982 50 0 HJAARN COC(=O)c1cccc(Nc2c(-c3ccc(O)c(OC)c3)nc3ccc(C)cn32)c1 ZINC000015414416 558738986 /nfs/dbraw/zinc/73/89/86/558738986.db2.gz VHSVASVWJQFINP-UHFFFAOYSA-N 0 0 403.438 4.554 50 0 HJAARN CC(C)c1cc([C@H]2[NH2+][C@H](C(=O)[O-])Cc3c4cc(O)ccc4[nH]c32)cc(C(C)C)c1O ZINC000015414533 558739016 /nfs/dbraw/zinc/73/90/16/558739016.db2.gz TXQSZBSNCHVKCA-LEWJYISDSA-N 0 0 408.498 4.514 50 0 HJAARN COc1ccccc1C(=O)NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000004570856 558743064 /nfs/dbraw/zinc/74/30/64/558743064.db2.gz FQDRCVWKTHHUHQ-UHFFFAOYSA-N 0 0 406.429 4.810 50 0 HJAARN O=C(COc1ccc(-c2ccccc2)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000015564964 558744249 /nfs/dbraw/zinc/74/42/49/558744249.db2.gz MHBGBIZRMABFLR-HSZRJFAPSA-N 0 0 415.489 4.867 50 0 HJAARN COc1ccc(Br)cc1CN(C)C(=O)c1occc1-c1ccccc1 ZINC000030917452 558744673 /nfs/dbraw/zinc/74/46/73/558744673.db2.gz VNEZGMNUYRMWSP-UHFFFAOYSA-N 0 0 400.272 4.990 50 0 HJAARN CCN(Cc1ccc(Cl)s1)C(=O)c1cc(OC)c(Br)c(OC)c1 ZINC000015611375 558746108 /nfs/dbraw/zinc/74/61/08/558746108.db2.gz JHNYNHXFFAJBEB-UHFFFAOYSA-N 0 0 418.740 4.844 50 0 HJAARN Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccnn1Cc1ccc(Cl)cc1 ZINC000015641296 558747285 /nfs/dbraw/zinc/74/72/85/558747285.db2.gz GSABIWGYSUIOIH-UHFFFAOYSA-N 0 0 404.901 4.931 50 0 HJAARN COP(=O)(OC)[C@@H](Nc1ccc(I)cc1)c1ccccc1 ZINC000003092829 558748463 /nfs/dbraw/zinc/74/84/63/558748463.db2.gz SGRSOAUPORTBRP-OAHLLOKOSA-N 0 0 417.183 4.888 50 0 HJAARN Cc1cccc(Cn2cc(/C=c3\sc4nc5ccccc5n4c3=O)c3ccccc32)c1 ZINC000015800393 558754013 /nfs/dbraw/zinc/75/40/13/558754013.db2.gz OJMUMOHNHMQPGH-OYKKKHCWSA-N 0 0 421.525 4.768 50 0 HJAARN CCOc1ncccc1C(=O)N(Cc1ccccc1)[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000011088961 558754548 /nfs/dbraw/zinc/75/45/48/558754548.db2.gz YHAOWOXHXFJZCB-SFHVURJKSA-N 0 0 417.509 4.842 50 0 HJAARN CCSc1nn(Cc2ccccc2)c2nc3c(c(=O)n12)C(C)(C)Cc1ccccc1-3 ZINC000015839121 558756541 /nfs/dbraw/zinc/75/65/41/558756541.db2.gz YZXAQBHMNQCOHE-UHFFFAOYSA-N 0 0 416.550 4.552 50 0 HJAARN CC(=O)c1cccc(-n2c3c(c(SCc4ccccc4Cl)nc2=O)CCC3)c1 ZINC000015840531 558756668 /nfs/dbraw/zinc/75/66/68/558756668.db2.gz OFJKBRVYPJCNGM-UHFFFAOYSA-N 0 0 410.926 4.870 50 0 HJAARN Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)N2CCC(C)CC2)o1 ZINC000015860520 558758369 /nfs/dbraw/zinc/75/83/69/558758369.db2.gz PCXQIKFYCIGNAO-HXUWFJFHSA-N 0 0 422.525 4.514 50 0 HJAARN Cc1ccc(NC(=O)c2ccc(-n3nnnc3SCc3ccccc3)cc2)cc1 ZINC000015869201 558759993 /nfs/dbraw/zinc/75/99/93/558759993.db2.gz KGNYNGGPVYBGEV-UHFFFAOYSA-N 0 0 401.495 4.515 50 0 HJAARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3cccs3)n2-n2cccc2)c(C)c1 ZINC000015882518 558760868 /nfs/dbraw/zinc/76/08/68/558760868.db2.gz ZLSMFSPZPGMCKK-UHFFFAOYSA-N 0 0 423.567 4.776 50 0 HJAARN CC(C)(C)c1ccc(OCCn2c(CNC(=O)c3ccco3)nc3ccccc32)cc1 ZINC000015922096 558762169 /nfs/dbraw/zinc/76/21/69/558762169.db2.gz XSPVAZDWGCYJAN-UHFFFAOYSA-N 0 0 417.509 4.936 50 0 HJAARN CCc1cc(=O)n2nc(N[C@H](CC(C)C)c3ccccc3OCC(C)C)sc2n1 ZINC000072307348 558767442 /nfs/dbraw/zinc/76/74/42/558767442.db2.gz XWEZWDVRIFFLGZ-GOSISDBHSA-N 0 0 414.575 4.948 50 0 HJAARN CC(C)c1nc(CN2CCC[C@H]2c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)no1 ZINC000072308664 558769914 /nfs/dbraw/zinc/76/99/14/558769914.db2.gz LOCQBESIVPMJGJ-INIZCTEOSA-N 0 0 405.424 4.939 50 0 HJAARN O=C(Nc1nonc1-c1nc2ccccc2n1Cc1ccccc1)c1ccc(F)cc1 ZINC000000870593 558774618 /nfs/dbraw/zinc/77/46/18/558774618.db2.gz SMVAHCIHLASRBF-UHFFFAOYSA-N 0 0 413.412 4.526 50 0 HJAARN Cc1cccc(NC(=O)c2c(N)c(C(=O)c3ccc(F)cc3)n3ccccc23)c1C ZINC000004585226 558775468 /nfs/dbraw/zinc/77/54/68/558775468.db2.gz POUZSUIDOKCHFV-UHFFFAOYSA-N 0 0 401.441 4.761 50 0 HJAARN Cc1cccc(NC(=O)c2c(N)c(C(=O)c3ccc(Cl)cc3)n3ccccc23)c1 ZINC000004585211 558775482 /nfs/dbraw/zinc/77/54/82/558775482.db2.gz PIMZDSLHRPCUJF-UHFFFAOYSA-N 0 0 403.869 4.967 50 0 HJAARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)c1ccccc1Cl ZINC000004585437 558776156 /nfs/dbraw/zinc/77/61/56/558776156.db2.gz ABJROPRBXBTXKS-UHFFFAOYSA-N 0 0 403.869 4.908 50 0 HJAARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)c1c(F)cccc1F ZINC000004585430 558776171 /nfs/dbraw/zinc/77/61/71/558776171.db2.gz GUEQQPLJDONLRH-UHFFFAOYSA-N 0 0 405.404 4.533 50 0 HJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(C)c2)c2cccc(C)c2)cc1 ZINC000016309774 558785025 /nfs/dbraw/zinc/78/50/25/558785025.db2.gz DHSSOENTFPSYNQ-UHFFFAOYSA-N 0 0 422.550 4.754 50 0 HJAARN Cc1cccc(C(=O)NC(=S)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c1 ZINC000016349074 558787513 /nfs/dbraw/zinc/78/75/13/558787513.db2.gz WNASSSXBZVMVLY-UHFFFAOYSA-N 0 0 421.913 4.509 50 0 HJAARN Cc1cccc(-c2nc(CC(=O)N[C@@H](C)[C@H](O)c3c(F)cccc3Cl)cs2)c1 ZINC000072311624 558788521 /nfs/dbraw/zinc/78/85/21/558788521.db2.gz XTBCRMXRNJWDGK-RBZFPXEDSA-N 0 0 418.921 4.692 50 0 HJAARN CCNc1nc(S[C@H](C)C(=O)Nc2ccccc2OC(F)F)nc2ccccc21 ZINC000016397702 558789460 /nfs/dbraw/zinc/78/94/60/558789460.db2.gz YBJXVYXQAQXLJD-GFCCVEGCSA-N 0 0 418.469 4.782 50 0 HJAARN CCn1c2cc(Br)c(NC(=O)c3ccccc3Cl)cc2n(CC)c1=O ZINC000016425577 558790601 /nfs/dbraw/zinc/79/06/01/558790601.db2.gz FWCZUHNASTWWKZ-UHFFFAOYSA-N 0 0 422.710 4.511 50 0 HJAARN Cc1nc2nc(-c3ccc(C(C)(C)C)cc3)nn2c(C)c1CC(=O)N1CCCC[C@H]1C ZINC000035477090 558792412 /nfs/dbraw/zinc/79/24/12/558792412.db2.gz CKQRCFFCTDDAQC-MRXNPFEDSA-N 0 0 419.573 4.649 50 0 HJAARN O=C(Cc1ccccc1)N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl ZINC000016478610 558793848 /nfs/dbraw/zinc/79/38/48/558793848.db2.gz XPNBRKJTTVTDEV-NRFANRHFSA-N 0 0 403.869 4.838 50 0 HJAARN COc1ccc(CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)c(OC)c1OC ZINC000016490263 558794433 /nfs/dbraw/zinc/79/44/33/558794433.db2.gz LTIOSYIHZOSQCK-QGZVFWFLSA-N 0 0 405.494 4.799 50 0 HJAARN COc1cc(NC(=O)c2cc(-c3ccncc3)nc3ccccc32)cc(OC)c1OC ZINC000016643173 558797475 /nfs/dbraw/zinc/79/74/75/558797475.db2.gz ZEHWUDZYLSEHNA-UHFFFAOYSA-N 0 0 415.449 4.575 50 0 HJAARN COc1ccc(N(Cc2cccc(F)c2)S(=O)(=O)c2ccc(C)c(F)c2)cc1 ZINC000036248218 558798631 /nfs/dbraw/zinc/79/86/31/558798631.db2.gz BHCXWFKWQWIVHB-UHFFFAOYSA-N 0 0 403.450 4.677 50 0 HJAARN Cc1ccc(NC(=O)N2CCC[C@@H](OCc3ccc(Br)cc3)C2)cc1 ZINC000036315847 558799162 /nfs/dbraw/zinc/79/91/62/558799162.db2.gz YCTRCRKTGVHZER-LJQANCHMSA-N 0 0 403.320 4.971 50 0 HJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1cccc2cccnc21 ZINC000016683001 558799677 /nfs/dbraw/zinc/79/96/77/558799677.db2.gz FFGSFYILWHPFDZ-UHFFFAOYSA-N 0 0 400.525 4.821 50 0 HJAARN CCc1ccccc1-n1ncc(-c2nn3c(nnc3-c3ccc(OC)cc3)s2)c1C ZINC000036470948 558800014 /nfs/dbraw/zinc/80/00/14/558800014.db2.gz UVAVXUBYPYDQDR-UHFFFAOYSA-N 0 0 416.510 4.585 50 0 HJAARN Cc1noc(C)c1CSc1ncccc1C(=O)OCCOc1cc(C)cc(C)c1 ZINC000016695633 558801191 /nfs/dbraw/zinc/80/11/91/558801191.db2.gz IKFKUWFDPRJMJL-UHFFFAOYSA-N 0 0 412.511 4.831 50 0 HJAARN Cc1ccc(S(=O)(=O)/C(=C\Sc2ccccc2)NC(=O)c2ccccc2)cc1 ZINC000037246219 558803879 /nfs/dbraw/zinc/80/38/79/558803879.db2.gz NAEAFUBEXIYXLT-PGMHBOJBSA-N 0 0 409.532 4.790 50 0 HJAARN COc1ccc(Nc2ccccc2NC(=O)[C@@H](C)NC(=O)c2cccc(C)c2)cc1 ZINC000032981897 558804010 /nfs/dbraw/zinc/80/40/10/558804010.db2.gz WIARCDLLNVCJDJ-QGZVFWFLSA-N 0 0 403.482 4.504 50 0 HJAARN CCCCCC(=O)N1CCN(c2cc(Oc3ccc(Cl)cc3)ncn2)C[C@@H]1C ZINC000037355842 558804145 /nfs/dbraw/zinc/80/41/45/558804145.db2.gz RZUQYZNVAJNIEX-INIZCTEOSA-N 0 0 402.926 4.540 50 0 HJAARN Cc1cc(Oc2cc(N3CCN(Cc4ccc(F)cc4)CC3)ncn2)ccc1Cl ZINC000037356365 558804261 /nfs/dbraw/zinc/80/42/61/558804261.db2.gz VOIYWXUUGGAPBG-UHFFFAOYSA-N 0 0 412.896 4.692 50 0 HJAARN CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC(C)C)c1 ZINC000016750331 558804582 /nfs/dbraw/zinc/80/45/82/558804582.db2.gz BMUVZHYNQIJNHC-JOCHJYFZSA-N 0 0 421.493 4.552 50 0 HJAARN O=C(N[C@H]1CCCc2ccccc21)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1)O2 ZINC000032984061 558805089 /nfs/dbraw/zinc/80/50/89/558805089.db2.gz ILUMDFCDYMKJHV-SGSZHJQISA-N 0 0 410.473 4.866 50 0 HJAARN COc1ccc(NC(=O)COc2cc(-c3ccccc3)nc3ccccc32)cc1OC ZINC000032985685 558805941 /nfs/dbraw/zinc/80/59/41/558805941.db2.gz GARDQSUHDCKVFN-UHFFFAOYSA-N 0 0 414.461 4.937 50 0 HJAARN O=S1(=O)c2ccccc2N[C@H](c2ccccc2Cl)N1Cc1ccc(F)cc1 ZINC000032986821 558806810 /nfs/dbraw/zinc/80/68/10/558806810.db2.gz MRUSQUNZZIECMU-FQEVSTJZSA-N 0 0 402.878 4.794 50 0 HJAARN Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(F)cc4)cc23)cc1F ZINC000016841445 558808170 /nfs/dbraw/zinc/80/81/70/558808170.db2.gz KCSBGTVSERBNGR-UHFFFAOYSA-N 0 0 410.449 4.714 50 0 HJAARN Cc1ccc(F)cc1NC(=O)CSc1nccn2nc(-c3ccc(F)cc3)cc12 ZINC000016841454 558808239 /nfs/dbraw/zinc/80/82/39/558808239.db2.gz HRUMKBIUNJWZAV-UHFFFAOYSA-N 0 0 410.449 4.714 50 0 HJAARN O=C(CSc1nccn2nc(-c3ccc(F)cc3)cc12)Nc1ccccc1Cl ZINC000016841210 558808246 /nfs/dbraw/zinc/80/82/46/558808246.db2.gz DENOHZHVTPBYSP-UHFFFAOYSA-N 0 0 412.877 4.920 50 0 HJAARN Cc1nc2[nH]c(NCc3ccc(Cl)cc3Cl)nn2c(=O)c1Cc1ccccc1 ZINC000016956707 558810256 /nfs/dbraw/zinc/81/02/56/558810256.db2.gz XPJGJTQDRUABKB-UHFFFAOYSA-N 0 0 414.296 4.648 50 0 HJAARN Cc1cccc(NC(=O)Cn2cnc3c(-c4ccc(F)cc4)csc3c2=O)c1C ZINC000038486536 558811396 /nfs/dbraw/zinc/81/13/96/558811396.db2.gz OUAQCWFUIFTXKN-UHFFFAOYSA-N 0 0 407.470 4.520 50 0 HJAARN Cc1ccc(S(=O)(=O)NN=c2nc(-c3ccccc3)c3cc(Cl)ccc3[nH]2)cc1 ZINC000017050974 558813103 /nfs/dbraw/zinc/81/31/03/558813103.db2.gz OLKVCEWQGFGXHI-UHFFFAOYSA-N 0 0 424.913 4.564 50 0 HJAARN COc1c(C)cccc1C(=O)Nc1cc2nn(-c3ccc(Cl)cc3)nc2cc1C ZINC000017087543 558816488 /nfs/dbraw/zinc/81/64/88/558816488.db2.gz GPLOUBZAYNBVKK-UHFFFAOYSA-N 0 0 406.873 4.952 50 0 HJAARN Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccc(Cl)c(Cl)c1 ZINC000017088764 558817468 /nfs/dbraw/zinc/81/74/68/558817468.db2.gz BZHPGAVAMHPZLE-UHFFFAOYSA-N 0 0 411.289 4.659 50 0 HJAARN CCOC(=O)c1cc(C(C)C)sc1NC(=O)c1cc2cccc(OC)c2oc1=N ZINC000017089853 558818438 /nfs/dbraw/zinc/81/84/38/558818438.db2.gz HJDPEOFYGDZGMI-UHFFFAOYSA-N 0 0 414.483 4.535 50 0 HJAARN CCc1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)cc1 ZINC000017091203 558819703 /nfs/dbraw/zinc/81/97/03/558819703.db2.gz SFHAIISXLZFLSP-MRXNPFEDSA-N 0 0 417.600 4.621 50 0 HJAARN O=C(NCc1ccc2c(c1)OCO2)c1cc(-c2cccnc2)nc2ccc(Cl)cc21 ZINC000017091245 558819854 /nfs/dbraw/zinc/81/98/54/558819854.db2.gz GDMJYNBZVQAQBX-UHFFFAOYSA-N 0 0 417.852 4.609 50 0 HJAARN C[C@@H]1CCc2c(sc(NC(=O)c3cccc(OCc4ccccc4)c3)c2C(N)=O)C1 ZINC000017092361 558820859 /nfs/dbraw/zinc/82/08/59/558820859.db2.gz FKKKHYQSOJZNSQ-OAHLLOKOSA-N 0 0 420.534 4.803 50 0 HJAARN Cc1cc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)n(-c2ccccc2)n1 ZINC000017093091 558821578 /nfs/dbraw/zinc/82/15/78/558821578.db2.gz VDIRREDBMVOYED-UHFFFAOYSA-N 0 0 422.492 4.784 50 0 HJAARN COc1ccc(-n2nc3ccc(NC(=O)c4cccc(C)c4OC)cc3n2)cc1Cl ZINC000017093305 558821810 /nfs/dbraw/zinc/82/18/10/558821810.db2.gz HMUWKDZHRAIAIO-UHFFFAOYSA-N 0 0 422.872 4.652 50 0 HJAARN O=C(CSc1nccn2nc(-c3ccc(Cl)cc3)cc12)Nc1ccccc1F ZINC000017177949 558825002 /nfs/dbraw/zinc/82/50/02/558825002.db2.gz WYMHOQSCIBTIIW-UHFFFAOYSA-N 0 0 412.877 4.920 50 0 HJAARN COc1ccc(-c2nc3cccnc3n2[C@@H]2CCN(C(=O)Nc3ccccc3)C2)cc1 ZINC000097938692 558825172 /nfs/dbraw/zinc/82/51/72/558825172.db2.gz WFYOUIPNUUZOJN-LJQANCHMSA-N 0 0 413.481 4.586 50 0 HJAARN Cc1ccc(S(=O)(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)cc1 ZINC000033007628 558828525 /nfs/dbraw/zinc/82/85/25/558828525.db2.gz AACQXRIHJPUWFX-UHFFFAOYSA-N 0 0 423.519 4.658 50 0 HJAARN CCC(=O)Nc1nc2c(cc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2C)s1 ZINC000033007737 558828541 /nfs/dbraw/zinc/82/85/41/558828541.db2.gz XODPVHNKOHSTDD-UHFFFAOYSA-N 0 0 417.556 4.679 50 0 HJAARN COc1cc(OC)c(NC(=O)Nc2ccc3nc(NC(C)=O)sc3c2)cc1Cl ZINC000033008126 558828835 /nfs/dbraw/zinc/82/88/35/558828835.db2.gz AETYKBZCNLVXIB-UHFFFAOYSA-N 0 0 420.878 4.569 50 0 HJAARN CCC(=O)Nc1nc2c(cc(NC(=O)Nc3cc(OC)ccc3OC)cc2C)s1 ZINC000033008280 558829002 /nfs/dbraw/zinc/82/90/02/558829002.db2.gz ARDAQDLHOLGTNP-UHFFFAOYSA-N 0 0 414.487 4.614 50 0 HJAARN C[C@@H]1CC[C@H]2C(=O)N(c3cc(Cl)ccc3OC(=O)c3cccs3)C(=O)[C@@H]2C1 ZINC000017988167 558829322 /nfs/dbraw/zinc/82/93/22/558829322.db2.gz AOANUSUIVYYTNG-MRVWCRGKSA-N 0 0 403.887 4.546 50 0 HJAARN CCC[C@@H]1CCc2nc(NC(=O)c3cccc(NC(=O)c4cccnc4)c3)sc2C1 ZINC000060309350 558830130 /nfs/dbraw/zinc/83/01/30/558830130.db2.gz MYAVNKZCLGHSAQ-OAHLLOKOSA-N 0 0 420.538 4.948 50 0 HJAARN Cc1ccc(NC(=O)C2=C(c3ccccc3)NC(=S)N[C@H]2c2ccc(F)cc2)cc1 ZINC000018093854 558831004 /nfs/dbraw/zinc/83/10/04/558831004.db2.gz GADWBGIFKRVVDO-QFIPXVFZSA-N 0 0 417.509 4.703 50 0 HJAARN CCOc1ccc(NC(=O)COc2cccc(-c3nc(-c4ccccc4)no3)c2)cc1 ZINC000033012320 558832140 /nfs/dbraw/zinc/83/21/40/558832140.db2.gz PYPFFMZAWLDFJT-UHFFFAOYSA-N 0 0 415.449 4.820 50 0 HJAARN CCOc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(=O)Nc1ccccc1 ZINC000033013221 558832862 /nfs/dbraw/zinc/83/28/62/558832862.db2.gz GAYDYPFUMWDPGN-UHFFFAOYSA-N 0 0 415.449 4.820 50 0 HJAARN CCn1c(SCc2nc(-c3cccs3)no2)nnc1-c1c[nH]c2ccccc21 ZINC000018188099 558832941 /nfs/dbraw/zinc/83/29/41/558832941.db2.gz PFUKMVHTMUPUMZ-UHFFFAOYSA-N 0 0 408.512 4.850 50 0 HJAARN CCOc1cc(-c2noc(-c3ccc(C)cc3)n2)ccc1OCC(=O)N1CCCCC1 ZINC000033013265 558832985 /nfs/dbraw/zinc/83/29/85/558832985.db2.gz XJKPJPORCFUBKL-UHFFFAOYSA-N 0 0 421.497 4.502 50 0 HJAARN COc1ccc(NC(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c32)cc1OC ZINC000010642186 558836251 /nfs/dbraw/zinc/83/62/51/558836251.db2.gz OBGNVYAQFJAQNM-UHFFFAOYSA-N 0 0 409.467 4.838 50 0 HJAARN COC(=O)c1ccc(C)c(NC(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c32)c1 ZINC000010642677 558836260 /nfs/dbraw/zinc/83/62/60/558836260.db2.gz RBFJACRUDILRNK-UHFFFAOYSA-N 0 0 421.478 4.915 50 0 HJAARN CCc1c(C)nc2ncnn2c1Sc1ccccc1NC(=O)Nc1ccccc1 ZINC000033019929 558836318 /nfs/dbraw/zinc/83/63/18/558836318.db2.gz INVJTQAMHXNMNH-UHFFFAOYSA-N 0 0 404.499 4.790 50 0 HJAARN Cc1cccc(-c2nc3nc(C)c(CC(=O)Nc4cccc(Cl)c4C)c(C)n3n2)c1 ZINC000046023872 558839252 /nfs/dbraw/zinc/83/92/52/558839252.db2.gz IENYCIFQZCFAOT-UHFFFAOYSA-N 0 0 419.916 4.860 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)Cc1c(C)nc2nc(-c3cccs3)nn2c1C ZINC000046023963 558839334 /nfs/dbraw/zinc/83/93/34/558839334.db2.gz UDUSBVLTGAONSN-UHFFFAOYSA-N 0 0 411.918 4.613 50 0 HJAARN CCN(C(=O)c1oc2c(cccc2Cl)c1C)c1ccccc1S(=O)(=O)CC ZINC000072313701 558840869 /nfs/dbraw/zinc/84/08/69/558840869.db2.gz OCHWKGOTAKJGFA-UHFFFAOYSA-N 0 0 405.903 4.855 50 0 HJAARN CSc1cccc(NC(=O)NCCc2nc3cccnc3n2-c2ccccc2)c1 ZINC000033025504 558845828 /nfs/dbraw/zinc/84/58/28/558845828.db2.gz GNXOEAQJMAENDL-UHFFFAOYSA-N 0 0 403.511 4.507 50 0 HJAARN Cc1ccc(Cn2c(CCNC(=O)Nc3ccc(C)c(F)c3)nc3cccnc32)cc1 ZINC000033025491 558845840 /nfs/dbraw/zinc/84/58/40/558845840.db2.gz YRQVALXXINALQL-UHFFFAOYSA-N 0 0 417.488 4.600 50 0 HJAARN O=C(NCCc1nc2cccnc2n1Cc1ccccc1)Nc1ccc(F)c(Cl)c1 ZINC000033025430 558846120 /nfs/dbraw/zinc/84/61/20/558846120.db2.gz YZVLDYQYYMAZNG-UHFFFAOYSA-N 0 0 423.879 4.636 50 0 HJAARN Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCc4ccccc4)c3n2)cc1 ZINC000004602860 558846411 /nfs/dbraw/zinc/84/64/11/558846411.db2.gz NUPNMZHZMVROCD-UHFFFAOYSA-N 0 0 410.399 4.654 50 0 HJAARN Cc1ccc(-c2nnc(SCC(=O)N3CCCCC3)n2-c2ccccc2)cc1C ZINC000033025599 558846423 /nfs/dbraw/zinc/84/64/23/558846423.db2.gz RSFIRDUXFARMJY-UHFFFAOYSA-N 0 0 406.555 4.656 50 0 HJAARN COc1ccc(-c2nnc(NC(=O)CCc3ccc(-c4ccc(C)cc4)o3)o2)cc1 ZINC000033027673 558850525 /nfs/dbraw/zinc/85/05/25/558850525.db2.gz HFWHVFHFSWMKOY-UHFFFAOYSA-N 0 0 403.438 4.885 50 0 HJAARN O=C(NC1CCCC1)c1cccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)c1 ZINC000033027787 558851311 /nfs/dbraw/zinc/85/13/11/558851311.db2.gz NWEBCRIEWNLWKO-UHFFFAOYSA-N 0 0 411.933 4.845 50 0 HJAARN Cc1cc(C)c(NC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)c(C)c1 ZINC000033031662 558855551 /nfs/dbraw/zinc/85/55/51/558855551.db2.gz WQQLPUINCALANF-UHFFFAOYSA-N 0 0 405.473 4.737 50 0 HJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)Cc2ccccc2Cl)cc1 ZINC000013708234 558858122 /nfs/dbraw/zinc/85/81/22/558858122.db2.gz QITRVIUFRMAXEA-UHFFFAOYSA-N 0 0 403.869 4.529 50 0 HJAARN CCn1nc(Br)nc1Sc1ccccc1NC(=O)c1cccc(F)c1 ZINC000033036368 558859529 /nfs/dbraw/zinc/85/95/29/558859529.db2.gz JLPKPPUFSYHVAB-UHFFFAOYSA-N 0 0 421.295 4.603 50 0 HJAARN O=C(NCc1ccco1)c1cccc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033035686 558859732 /nfs/dbraw/zinc/85/97/32/558859732.db2.gz DPPCZCXANWWQHJ-HXUWFJFHSA-N 0 0 403.482 4.621 50 0 HJAARN CC(C)OCCCNC(=O)c1cccc([C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033035745 558859760 /nfs/dbraw/zinc/85/97/60/558859760.db2.gz HHTOZJDYTWXCAZ-QFIPXVFZSA-N 0 0 423.557 4.643 50 0 HJAARN CCCNC(=O)c1ccc(-n2nc(C)c(-c3ccc(Cl)cc3)c2NC(C)=O)cc1 ZINC000033037263 558861578 /nfs/dbraw/zinc/86/15/78/558861578.db2.gz YKQNFYMGIKEVJF-UHFFFAOYSA-N 0 0 410.905 4.599 50 0 HJAARN COc1ccc(C(=O)N[C@H](C(=O)Nc2ccccc2C)c2ccc(Cl)cc2)cc1 ZINC000004616804 558862950 /nfs/dbraw/zinc/86/29/50/558862950.db2.gz NFSCSYKKXASGQF-NRFANRHFSA-N 0 0 408.885 4.767 50 0 HJAARN O=C(CSc1ccc(F)cc1F)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000019295322 558865863 /nfs/dbraw/zinc/86/58/63/558865863.db2.gz ZESCPOCBEFGMKS-AWEZNQCLSA-N 0 0 420.506 4.879 50 0 HJAARN Cc1c([C@H](C)NCc2nc(-c3ccc(Cl)cc3)no2)cnn1-c1cccc(F)c1 ZINC000019300248 558866321 /nfs/dbraw/zinc/86/63/21/558866321.db2.gz PTMSEPUPZPBOLJ-ZDUSSCGKSA-N 0 0 411.868 4.874 50 0 HJAARN COc1cc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc(OC)c1OC ZINC000019324274 558867614 /nfs/dbraw/zinc/86/76/14/558867614.db2.gz UHVPTXLMOGLTFV-UHFFFAOYSA-N 0 0 418.537 4.729 50 0 HJAARN CCCCOc1ccccc1-c1cc(C(=O)NCc2ccc(OC)c(OCC)c2)[nH]n1 ZINC000072331610 558868191 /nfs/dbraw/zinc/86/81/91/558868191.db2.gz YOVDZSXQFNDQLA-UHFFFAOYSA-N 0 0 423.513 4.593 50 0 HJAARN CCCCOc1ccc(-c2cc(C(=O)NCc3ccc(OC(C)C)cc3)[nH]n2)cc1 ZINC000072331582 558868194 /nfs/dbraw/zinc/86/81/94/558868194.db2.gz NFOOSAXREKKAET-UHFFFAOYSA-N 0 0 407.514 4.973 50 0 HJAARN Cc1c(C(=O)NC[C@@H](C)c2ccccc2)sc2nc(C)nc(N3CCCCC3)c12 ZINC000033084380 558869691 /nfs/dbraw/zinc/86/96/91/558869691.db2.gz LMWUVHVJQIHWEK-OAHLLOKOSA-N 0 0 408.571 4.832 50 0 HJAARN Cc1ccc(NC(=O)c2nc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)c(Cl)c1 ZINC000033088487 558870509 /nfs/dbraw/zinc/87/05/09/558870509.db2.gz ZEMGAFKKHXDLPC-UHFFFAOYSA-N 0 0 421.766 4.617 50 0 HJAARN COc1ccc(-n2c(/C=C\c3ccccc3F)nc3ccccc3c2=O)c(OC)c1 ZINC000004659609 558873164 /nfs/dbraw/zinc/87/31/64/558873164.db2.gz FMJLXHFGDMVECA-KAMYIIQDSA-N 0 0 402.425 4.712 50 0 HJAARN COc1cccc(/C=C2/Sc3ccc(C(=O)N4C[C@H](C)C[C@H](C)C4)cc3NC2=O)c1 ZINC000004668552 558876893 /nfs/dbraw/zinc/87/68/93/558876893.db2.gz DWEVIWBNVOCPMV-RULQDBOMSA-N 0 0 422.550 4.899 50 0 HJAARN Cc1nc2ncnn2c(Sc2ccc(NC(=O)c3ccccc3Cl)cc2)c1C ZINC000033121848 558878790 /nfs/dbraw/zinc/87/87/90/558878790.db2.gz UQCQZFDPASEXTB-UHFFFAOYSA-N 0 0 409.902 4.798 50 0 HJAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)Nc2ccccc2F)cc1 ZINC000033122185 558878972 /nfs/dbraw/zinc/87/89/72/558878972.db2.gz HUWWGXVPQVQWLW-UHFFFAOYSA-N 0 0 422.489 4.929 50 0 HJAARN O=C(Nc1ccc(Cl)cc1)N[C@H](C(=O)N1CCc2ccccc21)c1ccccc1 ZINC000033127820 558881103 /nfs/dbraw/zinc/88/11/03/558881103.db2.gz GMVOHKCJIUKFJC-NRFANRHFSA-N 0 0 405.885 4.792 50 0 HJAARN Fc1ccccc1N1CCN(Cc2nc(-c3ccc(Cl)cc3Cl)no2)CC1 ZINC000055535545 558881821 /nfs/dbraw/zinc/88/18/21/558881821.db2.gz AWZOFKGUIRYYRP-UHFFFAOYSA-N 0 0 407.276 4.505 50 0 HJAARN COc1cc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)cc(OC)c1 ZINC000033128750 558882627 /nfs/dbraw/zinc/88/26/27/558882627.db2.gz XCMBHISFTXLFKO-UHFFFAOYSA-N 0 0 417.465 4.551 50 0 HJAARN Cc1ccc(NC(=O)c2cc3c(n(-c4ccc(F)cc4)c2=O)CCCC3=O)c(Cl)c1 ZINC000033126663 558884280 /nfs/dbraw/zinc/88/42/80/558884280.db2.gz LIJLQMNDZBVTFP-UHFFFAOYSA-N 0 0 424.859 4.710 50 0 HJAARN CC(C)c1ccc(-n2c3c(cc(C(=O)NC4CCCCC4)c2=O)C(=O)CCC3)cc1 ZINC000033126863 558884364 /nfs/dbraw/zinc/88/43/64/558884364.db2.gz FVTKFEDESPWAMQ-UHFFFAOYSA-N 0 0 406.526 4.542 50 0 HJAARN CCC(=O)Nc1nc2cc(NC(=O)Nc3cc(Cl)ccc3OC)ccc2s1 ZINC000033129407 558885308 /nfs/dbraw/zinc/88/53/08/558885308.db2.gz SQPOWJZFCYSJQF-UHFFFAOYSA-N 0 0 404.879 4.951 50 0 HJAARN O=C(C=Cc1ccc(Cl)c(C(F)(F)F)c1)Nc1nc2c(s1)C(=O)CCC2 ZINC000060362234 558888239 /nfs/dbraw/zinc/88/82/39/558888239.db2.gz OTCNCXJRFUSGGS-FNORWQNLSA-N 0 0 400.809 4.986 50 0 HJAARN O=S(=O)(NCCSCc1cccc(Cl)c1)c1cc(Cl)ccc1Cl ZINC000004680182 558891376 /nfs/dbraw/zinc/89/13/76/558891376.db2.gz QQDIDJTXDIQQPG-UHFFFAOYSA-N 0 0 410.775 4.859 50 0 HJAARN CN(C)C(=O)Cn1ccc2cc(NC(=O)C(c3ccccc3)c3ccccc3)ccc21 ZINC000058004074 558894023 /nfs/dbraw/zinc/89/40/23/558894023.db2.gz FCOQCPSAVFSTAD-UHFFFAOYSA-N 0 0 411.505 4.500 50 0 HJAARN CC(C)[C@H](OC[C@@H]1CCCO1)C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000058029586 558896273 /nfs/dbraw/zinc/89/62/73/558896273.db2.gz SWUFIEQSZKXKRR-YCXMXDNOSA-N 0 0 419.565 4.620 50 0 HJAARN COc1ccccc1N1CCN(CC(=O)Nc2c(C(C)C)cccc2C(C)C)CC1 ZINC000058121387 558900028 /nfs/dbraw/zinc/90/00/28/558900028.db2.gz CMRDBYBFYSJLDC-UHFFFAOYSA-N 0 0 409.574 4.703 50 0 HJAARN CCOC(=O)c1ccc(NC(=O)C2CCN(c3nccc4sc(C)cc43)CC2)cc1 ZINC000033171968 558900752 /nfs/dbraw/zinc/90/07/52/558900752.db2.gz OQRPUSVDMCIUIO-UHFFFAOYSA-N 0 0 423.538 4.637 50 0 HJAARN Cc1cc(C)cc(NC(=O)c2ccc(-c3nc4cccnc4n(C(C)C)c3=O)cc2)c1 ZINC000033170312 558903635 /nfs/dbraw/zinc/90/36/35/558903635.db2.gz UGTIXNZSOTUDDB-UHFFFAOYSA-N 0 0 412.493 4.909 50 0 HJAARN CCOc1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)cs2)cc1OC ZINC000058165436 558906680 /nfs/dbraw/zinc/90/66/80/558906680.db2.gz ATOPFRZTTRXSHX-UHFFFAOYSA-N 0 0 409.555 4.540 50 0 HJAARN C[C@@H](NC(=S)NC(=O)c1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000004699569 558907407 /nfs/dbraw/zinc/90/74/07/558907407.db2.gz BNQBKMVBIFMVBS-JSFDKUKPSA-N 0 0 421.404 4.658 50 0 HJAARN Cc1cccc(NC(=O)CN(C)C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)c1C ZINC000058196030 558910852 /nfs/dbraw/zinc/91/08/52/558910852.db2.gz BJKOJPHYUJLVFE-QHCPKHFHSA-N 0 0 411.521 4.954 50 0 HJAARN CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc(OC(F)(F)F)cc3)no2)CC1 ZINC000071768134 558910945 /nfs/dbraw/zinc/91/09/45/558910945.db2.gz BVYKTROYJDNOIS-UHFFFAOYSA-N 0 0 413.396 4.750 50 0 HJAARN O=C(c1cc2c(c(Cl)c1)OCO2)N1CCCc2cc(Br)cc(F)c21 ZINC000058244931 558914357 /nfs/dbraw/zinc/91/43/57/558914357.db2.gz DHHOFRNDYDLVKP-UHFFFAOYSA-N 0 0 412.642 4.563 50 0 HJAARN Cc1nnnn1-c1cc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)ccc1C ZINC000058247526 558914970 /nfs/dbraw/zinc/91/49/70/558914970.db2.gz CKFOCAFSUBUHPA-UHFFFAOYSA-N 0 0 403.486 4.638 50 0 HJAARN COc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(C)o4)=NN32)cc1OC ZINC000004715797 558915106 /nfs/dbraw/zinc/91/51/06/558915106.db2.gz ONKAVSVXAXMCIG-HOYKHHGWSA-N 0 0 420.465 4.856 50 0 HJAARN 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/nfs/dbraw/zinc/42/64/86/568426486.db2.gz VQMXATMDIYYSME-UHFFFAOYSA-N 0 0 408.589 4.530 50 0 HJAARN CCS(=O)(=O)N(C)c1ccc2sc(C(=O)Nc3ccc(C)c(C)c3)cc2c1 ZINC000046058349 568426502 /nfs/dbraw/zinc/42/65/02/568426502.db2.gz PFBHISYSLZNORS-UHFFFAOYSA-N 0 0 402.541 4.556 50 0 HJAARN CN(c1ccccc1Cl)S(=O)(=O)c1ccc2c(c1)C(=O)Nc1ccccc1O2 ZINC000046077390 568427392 /nfs/dbraw/zinc/42/73/92/568427392.db2.gz LPGVGDYWYFGPBF-UHFFFAOYSA-N 0 0 414.870 4.523 50 0 HJAARN COc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000046078998 568427627 /nfs/dbraw/zinc/42/76/27/568427627.db2.gz DKPOGZNAHFSISQ-UHFFFAOYSA-N 0 0 404.441 4.680 50 0 HJAARN COc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)c1 ZINC000046079000 568427681 /nfs/dbraw/zinc/42/76/81/568427681.db2.gz VTTNSGOULGGCRO-UHFFFAOYSA-N 0 0 404.441 4.680 50 0 HJAARN O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccccc1OC[C@H]1CCCO1 ZINC000048234614 568432581 /nfs/dbraw/zinc/43/25/81/568432581.db2.gz JQAXQXYWJQHUMF-CRAIPNDOSA-N 0 0 403.931 4.865 50 0 HJAARN Cc1nc(-c2ccccn2)sc1C(=O)O[C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000048249852 568433172 /nfs/dbraw/zinc/43/31/72/568433172.db2.gz GFCQUQOMCQESQZ-ZDUSSCGKSA-N 0 0 424.457 4.929 50 0 HJAARN C[C@@H]1C[C@H](C)CN(c2nnc(SC[C@@H]3CC3(Cl)Cl)n2Cc2ccco2)C1 ZINC000048249444 568433361 /nfs/dbraw/zinc/43/33/61/568433361.db2.gz IUPYGHVAQFQZGQ-MJBXVCDLSA-N 0 0 415.390 4.688 50 0 HJAARN Cc1ccc(NC(=O)N(C[C@H]2CCCO2)C[C@H]2CCCO2)c(OCc2ccccc2)c1 ZINC000048262473 568433718 /nfs/dbraw/zinc/43/37/18/568433718.db2.gz QHNVENLOLZWYSE-FGZHOGPDSA-N 0 0 424.541 4.766 50 0 HJAARN COc1ccc2oc(C)c(C(=O)N(C)Cc3cc(Br)ccc3OC)c2c1 ZINC000048264039 568433756 /nfs/dbraw/zinc/43/37/56/568433756.db2.gz JDVPGTCELUSURD-UHFFFAOYSA-N 0 0 418.287 4.793 50 0 HJAARN Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000048274484 568435341 /nfs/dbraw/zinc/43/53/41/568435341.db2.gz JNJBLOKRSASLHD-UHFFFAOYSA-N 0 0 410.495 4.619 50 0 HJAARN CCN(C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(F)c(F)c1 ZINC000048274929 568435529 /nfs/dbraw/zinc/43/55/29/568435529.db2.gz OKKDFKNKCRHLBV-UHFFFAOYSA-N 0 0 413.390 4.648 50 0 HJAARN O=C(CCOc1ccc(Cl)cc1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000048309874 568436551 /nfs/dbraw/zinc/43/65/51/568436551.db2.gz QZWBEPBEKXQWIG-NRFANRHFSA-N 0 0 409.917 4.548 50 0 HJAARN Cc1cc(O[C@@H](C)C(=O)N[C@@H](c2nccn2C)c2cccc(F)c2)ccc1C(C)C ZINC000048332327 568440030 /nfs/dbraw/zinc/44/00/30/568440030.db2.gz IEPTUKGOJBDBEV-HTAPYJJXSA-N 0 0 409.505 4.664 50 0 HJAARN CCOC(=O)CCN(Cc1cccnc1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000048332471 568440138 /nfs/dbraw/zinc/44/01/38/568440138.db2.gz AEXILHJYWLJIOR-UHFFFAOYSA-N 0 0 416.521 4.586 50 0 HJAARN O=C(CCOc1cccc(Cl)c1)N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000048362274 568441666 /nfs/dbraw/zinc/44/16/66/568441666.db2.gz BPCAXNWEJAGHLZ-NRFANRHFSA-N 0 0 409.917 4.548 50 0 HJAARN CC(=O)Nc1ccc(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc32)cc1 ZINC000049004770 568446871 /nfs/dbraw/zinc/44/68/71/568446871.db2.gz YZOGYUVVMJPASD-UHFFFAOYSA-N 0 0 417.513 4.656 50 0 HJAARN Cc1ccc(NC(=O)CSc2ncccc2-c2nc(-c3cccs3)no2)cc1 ZINC000049406948 568449057 /nfs/dbraw/zinc/44/90/57/568449057.db2.gz LEDSPGSQHRGXRN-UHFFFAOYSA-N 0 0 408.508 4.899 50 0 HJAARN O=C(Cn1cnc(-c2nc(-c3cccs3)cs2)c1)Nc1ccc(F)cc1F ZINC000049420737 568450270 /nfs/dbraw/zinc/45/02/70/568450270.db2.gz SWDODGSRMGAOCN-UHFFFAOYSA-N 0 0 402.451 4.652 50 0 HJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2C)C12CCCCC2 ZINC000049546117 568451430 /nfs/dbraw/zinc/45/14/30/568451430.db2.gz HMXGKHPPCRZPQV-QFIPXVFZSA-N 0 0 406.526 4.522 50 0 HJAARN CCOc1cc([C@H]2SCC(=O)Nc3c2c(C)nn3C)ccc1OC1CCCC1 ZINC000049550548 568451957 /nfs/dbraw/zinc/45/19/57/568451957.db2.gz QTFDLBIWFGNMRD-HXUWFJFHSA-N 0 0 401.532 4.873 50 0 HJAARN CCCCC(=O)Nc1ccc(S[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000113563811 568453095 /nfs/dbraw/zinc/45/30/95/568453095.db2.gz RHSQVSHCXWIHHF-HXUWFJFHSA-N 0 0 410.539 4.856 50 0 HJAARN O=C1Nc2c(cccc2Cl)[C@]12Nc1ccccc1C(=O)N2c1cccc(Cl)c1 ZINC000049947061 568453494 /nfs/dbraw/zinc/45/34/94/568453494.db2.gz GSPBDFXWPIDCEF-OAQYLSRUSA-N 0 0 410.260 4.871 50 0 HJAARN Cc1csc(NC(=O)CSc2nnc(-c3ccccc3)c3sc(C)nc32)n1 ZINC000012232810 568454360 /nfs/dbraw/zinc/45/43/60/568454360.db2.gz JNJWBDQLIRWJFQ-UHFFFAOYSA-N 0 0 413.553 4.557 50 0 HJAARN CCOC(=O)c1c(NC(=O)COc2ccc(C(C)(C)C)cc2)sc2c1CCC2 ZINC000000633201 568456546 /nfs/dbraw/zinc/45/65/46/568456546.db2.gz YTMIIHRVNCQLHO-UHFFFAOYSA-N 0 0 401.528 4.729 50 0 HJAARN Cc1cc(-n2c(C)cc(C(=O)COC(=O)C=Cc3c(F)cccc3Cl)c2C)no1 ZINC000006648354 568456813 /nfs/dbraw/zinc/45/68/13/568456813.db2.gz UKPKVSNLOPXVPN-BQYQJAHWSA-N 0 0 416.836 4.622 50 0 HJAARN CCn1c(C)cc(C(=O)COC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)c1C ZINC000012267512 568456952 /nfs/dbraw/zinc/45/69/52/568456952.db2.gz MDAPLBLJFIAVGO-UHFFFAOYSA-N 0 0 408.498 4.755 50 0 HJAARN CCOc1ccccc1NC(=O)c1ccc(C)c(NC(=O)c2ccc3c(c2)OCO3)c1 ZINC000214076000 568457061 /nfs/dbraw/zinc/45/70/61/568457061.db2.gz OUWUJVPQWFYVNA-UHFFFAOYSA-N 0 0 418.449 4.627 50 0 HJAARN CC(C)OC(=O)c1c2c(sc1NC(=O)c1ccnn1C)C[C@@H](c1ccccc1)CC2 ZINC000000648090 568457468 /nfs/dbraw/zinc/45/74/68/568457468.db2.gz KUVHMFKQZIUVPW-INIZCTEOSA-N 0 0 423.538 4.572 50 0 HJAARN CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)Nc1cccc(C)c1C ZINC000000649373 568457537 /nfs/dbraw/zinc/45/75/37/568457537.db2.gz OJEBCVDRIMFNLH-UHFFFAOYSA-N 0 0 423.586 4.875 50 0 HJAARN CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(OC)c(OC)c4)c(N)c3cc2C1 ZINC000000661866 568460274 /nfs/dbraw/zinc/46/02/74/568460274.db2.gz CAQTZXOSKQUSGT-LBPRGKRZSA-N 0 0 411.527 4.663 50 0 HJAARN CCOc1ccccc1/C=C(/NC(=O)c1ccccc1)C(=O)Nc1ccc(OC)cc1 ZINC000000675762 568461165 /nfs/dbraw/zinc/46/11/65/568461165.db2.gz OFLGCQPJJYRYSK-OQKWZONESA-N 0 0 416.477 4.504 50 0 HJAARN CCOc1ccc(S(=O)(=O)Nc2cccc(Br)c2)c2ccccc12 ZINC000000725826 568467606 /nfs/dbraw/zinc/46/76/06/568467606.db2.gz XTWPSVGUQUIKTR-UHFFFAOYSA-N 0 0 406.301 4.802 50 0 HJAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)OCc1nc(-c2ccsc2)no1 ZINC000021791158 568468151 /nfs/dbraw/zinc/46/81/51/568468151.db2.gz JGWABVHGONHJLG-UHFFFAOYSA-N 0 0 415.858 4.783 50 0 HJAARN C[C@@H](Nc1ccc2c(c1)OCCCO2)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000024829055 568469599 /nfs/dbraw/zinc/46/95/99/568469599.db2.gz IJGXTYBWDSJKSV-GOSISDBHSA-N 0 0 418.493 4.866 50 0 HJAARN c1ccc(-c2noc(CSc3nnc(N4CCCCC4)n3-c3ccccc3)n2)cc1 ZINC000007072241 568470682 /nfs/dbraw/zinc/47/06/82/568470682.db2.gz USFCXIQZVXDVBJ-UHFFFAOYSA-N 0 0 418.526 4.600 50 0 HJAARN C[C@@H]1c2ccsc2CCN1C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000021840618 568471853 /nfs/dbraw/zinc/47/18/53/568471853.db2.gz MYAXUNBLIGXAPQ-LLVKDONJSA-N 0 0 402.317 4.660 50 0 HJAARN Cn1c2ccccc2nc1SCC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000007138440 568472217 /nfs/dbraw/zinc/47/22/17/568472217.db2.gz VYJMWZKZAXPBHN-UHFFFAOYSA-N 0 0 401.491 4.801 50 0 HJAARN O=C(NC1CCCCC1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000000780539 568474797 /nfs/dbraw/zinc/47/47/97/568474797.db2.gz KYSJHCGIYDMTPX-DEOSSOPVSA-N 0 0 408.567 4.566 50 0 HJAARN C[C@H]1CCc2c(sc3ncnc(SCC(=O)c4ccc5c(c4)OCCO5)c32)C1 ZINC000000781905 568475004 /nfs/dbraw/zinc/47/50/04/568475004.db2.gz PTTLYKNHUVTDKY-LBPRGKRZSA-N 0 0 412.536 4.562 50 0 HJAARN Cc1ccc(OC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)cc1C ZINC000000793043 568480432 /nfs/dbraw/zinc/48/04/32/568480432.db2.gz MMDCVXZDJBRSOV-UHFFFAOYSA-N 0 0 421.946 4.741 50 0 HJAARN COc1cccc(C(=O)c2c(N)c(C(=O)Nc3cccc(Cl)c3)c3ccccn32)c1 ZINC000012342123 568483734 /nfs/dbraw/zinc/48/37/34/568483734.db2.gz IJXROVJDQSGAMB-UHFFFAOYSA-N 0 0 419.868 4.667 50 0 HJAARN COc1ccc(C(=O)c2c(N)c(C(=O)Nc3cccc(C)c3C)c3ccccn32)cc1 ZINC000012342016 568484159 /nfs/dbraw/zinc/48/41/59/568484159.db2.gz AGDZBRDKXXBWCJ-UHFFFAOYSA-N 0 0 413.477 4.630 50 0 HJAARN O=C(COC(=O)C(=Cc1ccc(F)cc1)c1cccs1)c1ccc2c(c1)OCO2 ZINC000007779593 568484508 /nfs/dbraw/zinc/48/45/08/568484508.db2.gz GXUWJWPDVLUPRQ-LICLKQGHSA-N 0 0 410.422 4.583 50 0 HJAARN COc1ccc([C@H]2CCCN2C(=O)CCc2ncc(-c3ccccc3F)o2)c(OC)c1 ZINC000022386443 568484568 /nfs/dbraw/zinc/48/45/68/568484568.db2.gz WAGLHEZOPZECES-HXUWFJFHSA-N 0 0 424.472 4.794 50 0 HJAARN O=C([C@@H](Sc1nnc(NC2CCCCC2)s1)c1ccccc1)N1CCCC1 ZINC000022357404 568484940 /nfs/dbraw/zinc/48/49/40/568484940.db2.gz NTGLDVPJGTXUBB-KRWDZBQOSA-N 0 0 402.589 4.739 50 0 HJAARN O=c1oc(-c2ccc(F)cc2)nn1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000022519583 568487353 /nfs/dbraw/zinc/48/73/53/568487353.db2.gz RMVRWGFYELKQLD-UHFFFAOYSA-N 0 0 421.375 4.833 50 0 HJAARN COc1ccc([C@H](NC(=O)NCCn2cc(C(C)=O)c3ccccc32)C(C)C)cc1 ZINC000604419567 568493248 /nfs/dbraw/zinc/49/32/48/568493248.db2.gz LDIXGPJKZVWPDD-HSZRJFAPSA-N 0 0 407.514 4.549 50 0 HJAARN O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)[C@H]1COc2ccccc2O1 ZINC000000818350 568496562 /nfs/dbraw/zinc/49/65/62/568496562.db2.gz XREAUAFULBESAT-QGZVFWFLSA-N 0 0 420.412 4.531 50 0 HJAARN CCCN(Cc1ccc(C)cc1)C(=O)CSc1nnc(-c2ccc(OC)cc2)o1 ZINC000008501905 568502026 /nfs/dbraw/zinc/50/20/26/568502026.db2.gz TUGJAAHZGPAEJC-UHFFFAOYSA-N 0 0 411.527 4.585 50 0 HJAARN O=S(=O)(c1ccc(Cl)cc1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1 ZINC000012361373 568509511 /nfs/dbraw/zinc/50/95/11/568509511.db2.gz JXQSJVUHCVFYRL-IBGZPJMESA-N 0 0 407.322 4.589 50 0 HJAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000032986576 568510163 /nfs/dbraw/zinc/51/01/63/568510163.db2.gz GKVGNFAWXJSANM-SFHVURJKSA-N 0 0 410.901 4.863 50 0 HJAARN COc1cc(OC)c(OC)c2[nH]c(C(=O)N(Cc3ccco3)Cc3ccccc3)cc21 ZINC000033002537 568510648 /nfs/dbraw/zinc/51/06/48/568510648.db2.gz PNFJJOMRZFKCIR-UHFFFAOYSA-N 0 0 420.465 4.629 50 0 HJAARN Cc1c(C(=O)NCCc2ccc(Cl)cc2)sc2nc(C)nc(N3CCCC3)c12 ZINC000033078908 568511020 /nfs/dbraw/zinc/51/10/20/568511020.db2.gz CUBDKTQKCCNBKV-UHFFFAOYSA-N 0 0 414.962 4.534 50 0 HJAARN COc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1Br ZINC000024460344 568511845 /nfs/dbraw/zinc/51/18/45/568511845.db2.gz IAPWRGRTGGTMIT-UHFFFAOYSA-N 0 0 406.301 4.955 50 0 HJAARN CC(=O)Nc1ccc(CCc2nc3cc(C(=O)NC4CCCCCC4)ccc3[nH]2)cc1 ZINC000033264760 568512237 /nfs/dbraw/zinc/51/22/37/568512237.db2.gz FSEHGTLZCLYZDI-UHFFFAOYSA-N 0 0 418.541 4.759 50 0 HJAARN CCOC(=O)CSC1=N/C(=C/c2cccs2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000020152051 568590899 /nfs/dbraw/zinc/59/08/99/568590899.db2.gz VXXVRBFGRPIPLL-OQLLNIDSSA-N 0 0 424.906 4.581 50 0 HJAARN Cc1nc(-c2ccc(S(=O)(=O)NCc3nc(C4CCCCC4)cs3)cc2)co1 ZINC000390832124 568592606 /nfs/dbraw/zinc/59/26/06/568592606.db2.gz XLWLVRNTJNLNFA-UHFFFAOYSA-N 0 0 417.556 4.633 50 0 HJAARN CCOC(=O)c1cnc2c(c(C)nn2CC)c1NCc1cccc(C(F)(F)F)c1 ZINC000020219275 568594866 /nfs/dbraw/zinc/59/48/66/568594866.db2.gz ZLKVRZWPJZUHFT-UHFFFAOYSA-N 0 0 406.408 4.567 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12 ZINC000020234268 568595425 /nfs/dbraw/zinc/59/54/25/568595425.db2.gz LFAWNAMXYPMKGU-UHFFFAOYSA-N 0 0 423.321 4.585 50 0 HJAARN COc1cccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(Br)cc2)c1 ZINC000020319702 568598593 /nfs/dbraw/zinc/59/85/93/568598593.db2.gz TWYKFGBQNTWAKX-IBGZPJMESA-N 0 0 410.271 4.624 50 0 HJAARN O=[S@](Cc1ncc(-c2ccc(F)cc2)o1)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000095349211 568600393 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CC(C)c1ccccc1O[C@@H](C)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000095482330 568634548 /nfs/dbraw/zinc/63/45/48/568634548.db2.gz VFBMSFVXGCQXHR-HNNXBMFYSA-N 0 0 413.905 4.939 50 0 HJAARN Cc1ccc(-n2cc(CNc3ccc(C(N)=O)c(F)c3)c(-c3ccc(F)cc3)n2)cc1 ZINC000225430951 568637584 /nfs/dbraw/zinc/63/75/84/568637584.db2.gz GNYLOYVHLCZNOY-UHFFFAOYSA-N 0 0 418.447 4.837 50 0 HJAARN COc1ccccc1[C@@H](CNC(=O)c1sc2nc(C)cc(C)c2c1C)N1CCCC1 ZINC000029045414 568644171 /nfs/dbraw/zinc/64/41/71/568644171.db2.gz WASGUNZSGMGKPY-LJQANCHMSA-N 0 0 423.582 4.797 50 0 HJAARN Cc1ccc(C)c(-c2nn(CC(=O)Nc3ccc(Cl)cc3)c(=O)c3c2CCCC3)c1 ZINC000020889454 568647551 /nfs/dbraw/zinc/64/75/51/568647551.db2.gz MBSZYMKFOKQCCK-UHFFFAOYSA-N 0 0 421.928 4.698 50 0 HJAARN Cc1ccc2cccc(OS(=O)(=O)c3cc(Br)c(C)cc3C)c2n1 ZINC000225538542 568648812 /nfs/dbraw/zinc/64/88/12/568648812.db2.gz CYBCQBGDXILVPO-UHFFFAOYSA-N 0 0 406.301 4.690 50 0 HJAARN Cc1cccc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCC2)c1C ZINC000020903038 568650364 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COc1ccccc1CC[NH2+]Cc1c(C)n(-c2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000021024908 568658643 /nfs/dbraw/zinc/65/86/43/568658643.db2.gz MHWZWZWHUFVAFO-UHFFFAOYSA-N 0 0 412.917 4.787 50 0 HJAARN C[C@H](CO)NC(=O)c1ccc(NCc2ccc(-c3ccc(Cl)cc3)s2)cc1 ZINC000225642545 568659526 /nfs/dbraw/zinc/65/95/26/568659526.db2.gz FJYYTBAOKYYPCK-CQSZACIVSA-N 0 0 400.931 4.791 50 0 HJAARN O=S(=O)(Nc1ccc(-c2ccno2)cc1)c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000021033866 568659667 /nfs/dbraw/zinc/65/96/67/568659667.db2.gz UFQJEEBDLLAYGG-UHFFFAOYSA-N 0 0 407.451 4.675 50 0 HJAARN O=C(Nc1ccc(F)cc1)c1nnc(COc2ccc(Cl)c3cccnc23)s1 ZINC000095948778 568665700 /nfs/dbraw/zinc/66/57/00/568665700.db2.gz PUHACEPFVHCZAP-UHFFFAOYSA-N 0 0 414.849 4.710 50 0 HJAARN CCOc1ccccc1NC(=O)NCc1c(C)nn(-c2ccccc2)c1-n1cccc1 ZINC000021100788 568666450 /nfs/dbraw/zinc/66/64/50/568666450.db2.gz BVEKXFSAOOESAM-UHFFFAOYSA-N 0 0 415.497 4.692 50 0 HJAARN CN(Cc1ncc(-c2ccc(F)cc2)o1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095951875 568667730 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COc1ccc(Cl)cc1NC(=O)N1CCC(c2nnc(-c3ccsc3)o2)CC1 ZINC000096096603 568689034 /nfs/dbraw/zinc/68/90/34/568689034.db2.gz XWUPTAAVOKVJFQ-UHFFFAOYSA-N 0 0 418.906 4.872 50 0 HJAARN COc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1F ZINC000096098386 568689495 /nfs/dbraw/zinc/68/94/95/568689495.db2.gz ZAHZSBFYFKPXNN-UHFFFAOYSA-N 0 0 404.441 4.680 50 0 HJAARN COc1ccc(Cl)cc1-c1nnc2sc(-c3cccc(Br)c3)nn21 ZINC000012390958 568695050 /nfs/dbraw/zinc/69/50/50/568695050.db2.gz WSEPYWHERPJBOS-UHFFFAOYSA-N 0 0 421.707 4.944 50 0 HJAARN Cc1c(C)n(Cc2ccccc2)c(NC(=O)C(C)C)c1S(=O)(=O)c1ccccc1 ZINC000012391434 568696063 /nfs/dbraw/zinc/69/60/63/568696063.db2.gz VQBVIJZGJUVENH-UHFFFAOYSA-N 0 0 410.539 4.581 50 0 HJAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2cccc(Cl)c2F)S1 ZINC000096117080 568696292 /nfs/dbraw/zinc/69/62/92/568696292.db2.gz BHCBNJYVQWGJGP-ZBEGNZNMSA-N 0 0 409.914 4.985 50 0 HJAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccc3ncccc3c2)S1 ZINC000096117645 568697273 /nfs/dbraw/zinc/69/72/73/568697273.db2.gz FFMCXYCVKICOCE-QFBILLFUSA-N 0 0 408.527 4.741 50 0 HJAARN CCN(CC)C(=O)c1cccc(NC(=O)/C=C\c2c(C)nn(-c3ccccc3)c2C)c1 ZINC000096117678 568697323 /nfs/dbraw/zinc/69/73/23/568697323.db2.gz VLMFKFYUPDTSKD-NXVVXOECSA-N 0 0 416.525 4.623 50 0 HJAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccc(O)c(Cl)c2)S1 ZINC000096117977 568697453 /nfs/dbraw/zinc/69/74/53/568697453.db2.gz HUNUMULTIMQUBO-MLGOLLRUSA-N 0 0 407.923 4.552 50 0 HJAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc(O)c(Cl)c2)S1 ZINC000096117975 568697547 /nfs/dbraw/zinc/69/75/47/568697547.db2.gz HUNUMULTIMQUBO-WBMJQRKESA-N 0 0 407.923 4.552 50 0 HJAARN COC(=O)c1nc(NC(=O)c2cc3cc(C(F)(F)F)ccc3s2)sc1C ZINC000096118772 568698319 /nfs/dbraw/zinc/69/83/19/568698319.db2.gz WCDQZRARAQSYCE-UHFFFAOYSA-N 0 0 400.403 4.724 50 0 HJAARN CSc1ccc(NC(=O)N2CC[C@H](Cc3nc4cccnc4n3C(C)C)C2)cc1 ZINC000096124978 568701021 /nfs/dbraw/zinc/70/10/21/568701021.db2.gz SVHVFRUQLKEFRX-MRXNPFEDSA-N 0 0 409.559 4.831 50 0 HJAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCc2nc(C)cs2)cc1 ZINC000021482935 568704038 /nfs/dbraw/zinc/70/40/38/568704038.db2.gz JFRHEJXYMPLOFM-UHFFFAOYSA-N 0 0 405.523 4.857 50 0 HJAARN COc1cccc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)c1 ZINC000096221827 568705511 /nfs/dbraw/zinc/70/55/11/568705511.db2.gz KQZNRESJLJZRSR-LJQANCHMSA-N 0 0 414.413 4.615 50 0 biogenic HJAARN CC(C)n1cc(C(=O)NCCCCCc2nc3ccccc3[nH]2)c2ccccc2c1=O ZINC000096223947 568706334 /nfs/dbraw/zinc/70/63/34/568706334.db2.gz OFKXWMIRPHSLML-UHFFFAOYSA-N 0 0 416.525 4.602 50 0 HJAARN COc1cccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3C)no2)c1 ZINC000021524696 568709137 /nfs/dbraw/zinc/70/91/37/568709137.db2.gz PETQYQXBIKRGOL-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN Cc1ccccc1-c1noc(-c2ccccc2OCC(=O)Nc2ccccc2F)n1 ZINC000021524671 568709225 /nfs/dbraw/zinc/70/92/25/568709225.db2.gz KIJLVLOWZNPBHL-UHFFFAOYSA-N 0 0 403.413 4.869 50 0 HJAARN CCNC(=O)c1ccc(CSc2nc3cccnc3n2Cc2ccccc2F)cc1 ZINC000021528339 568709890 /nfs/dbraw/zinc/70/98/90/568709890.db2.gz SBFYPPMDTUOLGO-UHFFFAOYSA-N 0 0 420.513 4.661 50 0 HJAARN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000000844967 568710177 /nfs/dbraw/zinc/71/01/77/568710177.db2.gz NSZBUSLVHYGSDJ-CHWSQXEVSA-N 0 0 420.410 4.957 50 0 HJAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NC4CCCCC4)cc3n2)cc1 ZINC000000848703 568711004 /nfs/dbraw/zinc/71/10/04/568711004.db2.gz XRDKZJNDUWHGLJ-UHFFFAOYSA-N 0 0 402.420 4.786 50 0 HJAARN O=C(c1cc(Cl)ccc1F)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000024989743 568711330 /nfs/dbraw/zinc/71/13/30/568711330.db2.gz TYILKONOHVKEDB-UHFFFAOYSA-N 0 0 421.859 4.558 50 0 HJAARN Cc1ccc(NC(=O)CN2c3ccccc3Sc3ncccc3C2=O)cc1Cl ZINC000021540143 568713574 /nfs/dbraw/zinc/71/35/74/568713574.db2.gz DLBOUKLJVWRHBX-UHFFFAOYSA-N 0 0 409.898 4.794 50 0 HJAARN O=C(Cn1nc(-c2ccc(F)cc2)c2cnc3ccc(F)cc3c21)NC1CCCC1 ZINC000021541071 568713795 /nfs/dbraw/zinc/71/37/95/568713795.db2.gz DOBMIOBNPWTAEW-UHFFFAOYSA-N 0 0 406.436 4.589 50 0 HJAARN C[C@H](Sc1nnc(-c2ccccc2Cl)n1C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000229288088 568713995 /nfs/dbraw/zinc/71/39/95/568713995.db2.gz GBFFUCHKVKZINZ-XJIUQZFPSA-N 0 0 406.983 4.557 50 0 HJAARN CC(C)CC(=O)N(CCc1nc(-c2ccc(Br)cc2)no1)CC(C)C ZINC000096277772 568716142 /nfs/dbraw/zinc/71/61/42/568716142.db2.gz NUVWEVZIILAWSI-UHFFFAOYSA-N 0 0 408.340 4.572 50 0 HJAARN CCN1CCN(C(=O)C[C@@H](c2c[nH]c3ccc(Cl)cc32)c2ccccc2F)CC1 ZINC000096278190 568716661 /nfs/dbraw/zinc/71/66/61/568716661.db2.gz VRPZVCXJWPEXFQ-GOSISDBHSA-N 0 0 413.924 4.647 50 0 HJAARN Cc1cc(C)cc(N2C[C@@H](c3nc(-c4ccc(C(F)(F)F)cc4)no3)CC2=O)c1 ZINC000012414362 568717076 /nfs/dbraw/zinc/71/70/76/568717076.db2.gz SBAIZVGGFBFJDA-HNNXBMFYSA-N 0 0 401.388 4.893 50 0 HJAARN O=C(COc1ccccc1)Nc1ccc([C@@H]2SCC(=O)N2c2cccc(F)c2)cc1 ZINC000096280193 568717685 /nfs/dbraw/zinc/71/76/85/568717685.db2.gz XUWJAOGMSGJYMC-QHCPKHFHSA-N 0 0 422.481 4.622 50 0 HJAARN Cc1oc(-c2ccccc2C)nc1Cn1nnc(C(=O)Nc2cc(C)ccc2C)c1C ZINC000012415504 568717736 /nfs/dbraw/zinc/71/77/36/568717736.db2.gz CLACMLDLKJGTQE-UHFFFAOYSA-N 0 0 415.497 4.776 50 0 HJAARN Cc1oc(-c2ccccc2C)nc1COC(=O)c1nnn(-c2ccc(C)cc2)c1C ZINC000012415670 568717862 /nfs/dbraw/zinc/71/78/62/568717862.db2.gz URSKYXRKTZSGEM-UHFFFAOYSA-N 0 0 402.454 4.513 50 0 HJAARN C[C@@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)CCN1C(=O)Nc1cccc(Cl)c1 ZINC000096280341 568718082 /nfs/dbraw/zinc/71/80/82/568718082.db2.gz VVXINMIDTXBDEP-LLVKDONJSA-N 0 0 412.704 4.916 50 0 HJAARN COc1cc(-c2ccc(SC)cc2)cc2c1OCCN(Cc1cn(C)nc1C)C2 ZINC000014991083 568718442 /nfs/dbraw/zinc/71/84/42/568718442.db2.gz JGOALMJDZQQCJL-UHFFFAOYSA-N 0 0 409.555 4.521 50 0 HJAARN COc1cccc(-c2nc(-c3ccc(OCC(=O)c4ccc(F)cc4)cc3)no2)c1 ZINC000096280999 568718487 /nfs/dbraw/zinc/71/84/87/568718487.db2.gz ROJLPDCUWLYIBH-UHFFFAOYSA-N 0 0 404.397 4.813 50 0 HJAARN Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)c1 ZINC000000863703 568719351 /nfs/dbraw/zinc/71/93/51/568719351.db2.gz VHFYMUGSRADVSJ-UHFFFAOYSA-N 0 0 414.534 4.897 50 0 HJAARN Cc1cccc(-c2noc([C@H](Cc3ccccc3)NC(=O)Cc3ccc(F)cc3)n2)c1 ZINC000096290260 568720283 /nfs/dbraw/zinc/72/02/83/568720283.db2.gz JFQVEIMAEGHHRZ-QFIPXVFZSA-N 0 0 415.468 4.827 50 0 HJAARN COc1ccc(-c2noc(CCN(C(=O)c3ccccc3)C3CCCCC3)n2)cc1 ZINC000096291930 568720939 /nfs/dbraw/zinc/72/09/39/568720939.db2.gz UBWABZIXRVGASR-UHFFFAOYSA-N 0 0 405.498 4.763 50 0 HJAARN CC[C@H](C)[C@H](NC(=O)c1ccc(C)cc1)c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000096293153 568721629 /nfs/dbraw/zinc/72/16/29/568721629.db2.gz DNWOXCTWCJTPLO-YWZLYKJASA-N 0 0 409.486 4.579 50 0 HJAARN CCn1c(SCc2cccc(C(=O)NCc3ccco3)c2)nnc1-c1cccs1 ZINC000096294280 568722105 /nfs/dbraw/zinc/72/21/05/568722105.db2.gz IBIOOYSKUQURLN-UHFFFAOYSA-N 0 0 424.551 4.842 50 0 HJAARN COc1cc(NC(=O)/C=C\c2ccc(OCc3csc(C)n3)cc2)cc(OC)c1 ZINC000096297763 568722354 /nfs/dbraw/zinc/72/23/54/568722354.db2.gz KZSKLNFGNCAVBJ-TWGQIWQCSA-N 0 0 410.495 4.700 50 0 HJAARN Cc1[nH]c2ccccc2c1-c1csc(NC(=O)CCNC(=O)c2ccccc2C)n1 ZINC000021588411 568722548 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Cc1c(C)c(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)ccc1Br ZINC000239174294 568728278 /nfs/dbraw/zinc/72/82/78/568728278.db2.gz PSNSRACEUKDZNJ-KZNAEPCWSA-N 0 0 412.327 5.139 50 0 HJAARN Cc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4ccc(C)c(C)c4)no3)o2)cc1 ZINC000096322689 568730815 /nfs/dbraw/zinc/73/08/15/568730815.db2.gz YPBKOQBGWOYPRS-UHFFFAOYSA-N 0 0 408.479 4.896 50 0 HJAARN COc1cc(NC(=O)C[C@H]2COc3ccccc3N2Cc2ccccc2)cc(OC)c1 ZINC000096322972 568731183 /nfs/dbraw/zinc/73/11/83/568731183.db2.gz ZDPBXLYZRWGYQB-FQEVSTJZSA-N 0 0 418.493 4.500 50 0 HJAARN CCc1ccc(C(=O)Nc2nnc(SCc3nnc(-c4ccccc4)o3)s2)cc1 ZINC000021654847 568731186 /nfs/dbraw/zinc/73/11/86/568731186.db2.gz QURNRWVBOQTAPF-UHFFFAOYSA-N 0 0 423.523 4.695 50 0 HJAARN CC(C)Oc1ccccc1NC(=O)NCc1noc(-c2ccc(Cl)cc2F)n1 ZINC000241644492 568731430 /nfs/dbraw/zinc/73/14/30/568731430.db2.gz PREBBLPVDAJNCK-UHFFFAOYSA-N 0 0 404.829 4.638 50 0 HJAARN CCOc1ccc(-n2cc(-c3nc(-c4ccncc4)no3)c3ccccc3c2=O)cc1 ZINC000096324292 568733638 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CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccccc3)sc2c1 ZINC000021661269 568736110 /nfs/dbraw/zinc/73/61/10/568736110.db2.gz PEIJWYMGZMZTOM-MRXNPFEDSA-N 0 0 404.495 4.663 50 0 HJAARN O=C(NCc1ccccn1)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 ZINC000096344052 568737090 /nfs/dbraw/zinc/73/70/90/568737090.db2.gz IYWCVGHSTDUEBE-QHCPKHFHSA-N 0 0 417.553 4.583 50 0 HJAARN O=C(NCCc1ccco1)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 ZINC000096344057 568737147 /nfs/dbraw/zinc/73/71/47/568737147.db2.gz QMKBDGWDXRRKEI-QHCPKHFHSA-N 0 0 420.553 4.823 50 0 HJAARN CCc1c2cc(C)ccc2[nH]c1-c1nc(CCN(C)C(=O)c2ccc(C)c(F)c2)no1 ZINC000096349666 568738236 /nfs/dbraw/zinc/73/82/36/568738236.db2.gz WFIWJMAVFXDFPN-UHFFFAOYSA-N 0 0 420.488 4.851 50 0 HJAARN O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1cc(-c2ccco2)on1 ZINC000096358086 568738626 /nfs/dbraw/zinc/73/86/26/568738626.db2.gz NXAXZHGJAYZRCA-UHFFFAOYSA-N 0 0 418.434 4.889 50 0 HJAARN COc1ccc(-n2nc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3n2)cc1 ZINC000000885985 568738930 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Cc1cc(C)n(Cc2nc(-c3ccc(NC(=O)c4cccc(F)c4)cc3)oc2C)n1 ZINC000096397333 568746156 /nfs/dbraw/zinc/74/61/56/568746156.db2.gz FCNJTAPNTMSYLQ-UHFFFAOYSA-N 0 0 404.445 4.903 50 0 HJAARN Cc1[nH]nc(NC(=O)[C@H](C)Oc2ccccc2)c1-c1ccc(Br)cc1 ZINC000096398921 568747605 /nfs/dbraw/zinc/74/76/05/568747605.db2.gz ONBLVLRVNWJVQJ-ZDUSSCGKSA-N 0 0 400.276 4.554 50 0 HJAARN CCOc1ccc(-c2c(C)[nH]nc2NC(=O)[C@H](C)Oc2ccccc2)cc1OCC ZINC000096399002 568747631 /nfs/dbraw/zinc/74/76/31/568747631.db2.gz ZPXSSVAGYYQUIA-INIZCTEOSA-N 0 0 409.486 4.589 50 0 HJAARN CC(C)[C@@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1nc2ccccc2n1C ZINC000248255144 568748247 /nfs/dbraw/zinc/74/82/47/568748247.db2.gz UIKZUPYNYKGLFT-OAQYLSRUSA-N 0 0 404.539 4.753 50 0 HJAARN O=C(c1ccc2c(c1)OCO2)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000021715450 568749603 /nfs/dbraw/zinc/74/96/03/568749603.db2.gz SFUPQDLBKPWLHF-DEOSSOPVSA-N 0 0 414.436 4.824 50 0 HJAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(OC)c2)cc1 ZINC000021715549 568749656 /nfs/dbraw/zinc/74/96/56/568749656.db2.gz BIRNCIPXOKJTGA-VWLOTQADSA-N 0 0 412.489 4.973 50 0 HJAARN COc1ccccc1CNC(=O)[C@H]1c2ccccc2C(=O)N1c1c(C)cc(C)cc1C ZINC000021716640 568750008 /nfs/dbraw/zinc/75/00/08/568750008.db2.gz BCJIOJNGGZPXKH-XMMPIXPASA-N 0 0 414.505 4.638 50 0 HJAARN O=C(CSc1nnc(Cc2ccccc2)n1Cc1ccccc1)Nc1ccccc1 ZINC000000925202 568750850 /nfs/dbraw/zinc/75/08/50/568750850.db2.gz ILPZVASVDDAPKN-UHFFFAOYSA-N 0 0 414.534 4.648 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccn2c(-c3ccc(F)cc3)nnc12 ZINC000021723720 568750990 /nfs/dbraw/zinc/75/09/90/568750990.db2.gz ICVZPENURAZJPI-UHFFFAOYSA-N 0 0 400.335 4.807 50 0 HJAARN CC(C)Oc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)cc1 ZINC000021725650 568751564 /nfs/dbraw/zinc/75/15/64/568751564.db2.gz KJDYBEKHTILMOJ-MRXNPFEDSA-N 0 0 404.495 4.743 50 0 HJAARN CCc1cccc(C)c1NC(=O)[C@H]1CCCN(Cc2noc(-c3ccc(C)cc3)n2)C1 ZINC000021724877 568751604 /nfs/dbraw/zinc/75/16/04/568751604.db2.gz GGSWORICLJYYKR-NRFANRHFSA-N 0 0 418.541 4.767 50 0 HJAARN O=C(COc1c(=O)c2ccccc2oc1-c1ccc(Cl)cc1)NC1CCCCC1 ZINC000000937798 568752036 /nfs/dbraw/zinc/75/20/36/568752036.db2.gz GZISVCLKOQSMCP-UHFFFAOYSA-N 0 0 411.885 4.941 50 0 HJAARN Cc1ccc(CN2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCCC(C)C)cc1 ZINC000021858483 568755126 /nfs/dbraw/zinc/75/51/26/568755126.db2.gz OCVBZHNXRRNRMZ-SANMLTNESA-N 0 0 417.553 4.527 50 0 HJAARN CCc1ccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCCC(C)C)cc1 ZINC000021858444 568755159 /nfs/dbraw/zinc/75/51/59/568755159.db2.gz SBUTUVNDNKGQDP-AREMUKBSSA-N 0 0 417.553 4.785 50 0 HJAARN CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253612520 568755280 /nfs/dbraw/zinc/75/52/80/568755280.db2.gz UVOTXHBDYFWIBF-LILZFQHWSA-N 0 0 416.558 4.629 50 0 HJAARN Cc1ccccc1CN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NCCC(C)C ZINC000021858747 568755327 /nfs/dbraw/zinc/75/53/27/568755327.db2.gz CALUCWULELZLNK-SANMLTNESA-N 0 0 417.553 4.527 50 0 HJAARN CCc1ccc(NC(=O)c2ccc(Cn3c(=O)c4cccn4c4cccnc43)cc2)cc1 ZINC000021860143 568755337 /nfs/dbraw/zinc/75/53/37/568755337.db2.gz CEDWPJMXFXHJNS-UHFFFAOYSA-N 0 0 422.488 4.512 50 0 HJAARN CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1cccc(C(F)(F)F)c1 ZINC000000949605 568755375 /nfs/dbraw/zinc/75/53/75/568755375.db2.gz BOYHPTWXAKLHDZ-UHFFFAOYSA-N 0 0 418.371 4.961 50 0 HJAARN COC(=O)C1C(C)=Nc2nc(-c3ccccc3)nn2[C@@H]1c1ccc(Cl)cc1Cl ZINC000000949711 568755469 /nfs/dbraw/zinc/75/54/69/568755469.db2.gz ALSLPGNSRXWXML-QGZVFWFLSA-N 0 0 415.280 4.714 50 0 HJAARN Cc1ccc(N(Cc2nc3nc(C)c(Cl)c(C)n3n2)C(=O)c2ccc(F)cc2)cc1 ZINC000086066544 568755826 /nfs/dbraw/zinc/75/58/26/568755826.db2.gz UXTBXVLTAONERL-UHFFFAOYSA-N 0 0 423.879 4.689 50 0 HJAARN CCCCN1C(=O)c2ccc(-c3ccccc3)n2C[C@@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021869268 568756116 /nfs/dbraw/zinc/75/61/16/568756116.db2.gz SLGYHSOWHQYUIB-WGJJQBRPSA-N 0 0 421.585 4.865 50 0 HJAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)c4cccc(OC)c4)ccc32)cc1 ZINC000000950425 568756902 /nfs/dbraw/zinc/75/69/02/568756902.db2.gz KZXRQLLOLDNBNL-UHFFFAOYSA-N 0 0 416.429 4.739 50 0 biogenic HJAARN Cc1c(O[C@@H](C)C(=O)OCc2ccccc2Cl)ccc2c3c(c(=O)oc12)CCC3 ZINC000000952290 568757297 /nfs/dbraw/zinc/75/72/97/568757297.db2.gz CYWCUTCSKVOYDG-AWEZNQCLSA-N 0 0 412.869 4.754 50 0 HJAARN CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3cccc(C(C)=O)c3)c2c1 ZINC000000952876 568757380 /nfs/dbraw/zinc/75/73/80/568757380.db2.gz FJSYTGSPPKHUGB-UHFFFAOYSA-N 0 0 406.438 4.534 50 0 HJAARN CC[C@@H](C)OC(=O)COc1ccc2c(c1)occ(Oc1ccccc1Cl)c2=O ZINC000000957131 568757798 /nfs/dbraw/zinc/75/77/98/568757798.db2.gz UDWDISJOOGMWRO-CYBMUJFWSA-N 0 0 402.830 4.959 50 0 HJAARN CCOc1ccccc1OCC(=O)Oc1ccc(C(=O)Nc2ccc(C)cc2)cc1 ZINC000000957960 568757912 /nfs/dbraw/zinc/75/79/12/568757912.db2.gz RJRPLKJEDGDZMN-UHFFFAOYSA-N 0 0 405.450 4.630 50 0 HJAARN Cc1sc2ncn(CC(=O)Nc3cccc(C)c3)c(=O)c2c1-c1ccc(C)c(C)c1 ZINC000000959623 568758311 /nfs/dbraw/zinc/75/83/11/568758311.db2.gz HTLLAGBBIYHINN-UHFFFAOYSA-N 0 0 417.534 4.997 50 0 HJAARN CCOc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NCCCOC)cc1 ZINC000021889226 568758957 /nfs/dbraw/zinc/75/89/57/568758957.db2.gz WYECWRIBGSKSRL-XMMPIXPASA-N 0 0 419.525 4.527 50 0 HJAARN COCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(Cl)cc1 ZINC000021888721 568758970 /nfs/dbraw/zinc/75/89/70/568758970.db2.gz IQZZETROVYFROZ-QFIPXVFZSA-N 0 0 409.917 4.782 50 0 HJAARN CCOc1cc(Br)cc(/C=C2/SC(c3ccccc3)=NC2=O)c1O ZINC000000973962 568759361 /nfs/dbraw/zinc/75/93/61/568759361.db2.gz YMOWUZBGGFNRPW-OQLLNIDSSA-N 0 0 404.285 4.615 50 0 HJAARN COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000000986854 568760544 /nfs/dbraw/zinc/76/05/44/568760544.db2.gz HMBDRDWKYQYLDZ-BWWMBTDCSA-N 0 0 415.876 4.745 50 0 HJAARN COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)c(OC)c1OC ZINC000000998340 568761056 /nfs/dbraw/zinc/76/10/56/568761056.db2.gz KVSCJEGLDLJQDQ-QFIPXVFZSA-N 0 0 408.429 4.623 50 0 HJAARN COc1cccc(CNC(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc32)c1 ZINC000021934874 568761931 /nfs/dbraw/zinc/76/19/31/568761931.db2.gz ZUCZJDNQKDUBKS-UHFFFAOYSA-N 0 0 403.869 4.889 50 0 HJAARN COc1ccc(CNC(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc32)cc1 ZINC000021934884 568762009 /nfs/dbraw/zinc/76/20/09/568762009.db2.gz ZTTPQQZRBKENHA-UHFFFAOYSA-N 0 0 403.869 4.889 50 0 HJAARN CC(=O)Nc1cccc(-c2nnc(SCC(=O)c3ccc4ccccc4c3)n2C)c1 ZINC000001019423 568762603 /nfs/dbraw/zinc/76/26/03/568762603.db2.gz KWHFEIODYAGIOC-UHFFFAOYSA-N 0 0 416.506 4.569 50 0 HJAARN O=P1(NCCCN2CCOCC2)C=C(c2ccccc2)OC(c2ccccc2)=C1 ZINC000025316008 568763557 /nfs/dbraw/zinc/76/35/57/568763557.db2.gz OGHWWBVADMSZSZ-UHFFFAOYSA-N 0 0 410.454 4.604 50 0 HJAARN COc1ccccc1OCCN1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000096594104 568763655 /nfs/dbraw/zinc/76/36/55/568763655.db2.gz FXZILDZMYGSTMF-AREMUKBSSA-N 0 0 420.528 4.620 50 0 HJAARN Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(F)cc4Cl)CC3)c2c1C ZINC000022396377 568767175 /nfs/dbraw/zinc/76/71/75/568767175.db2.gz JJGYGOKXZUFDTO-UHFFFAOYSA-N 0 0 418.925 4.956 50 0 HJAARN COc1cc2c(cc1OC)CN(Cc1cc(=O)oc3cc(C)c(C(C)C)cc13)CC2 ZINC000025436738 568768917 /nfs/dbraw/zinc/76/89/17/568768917.db2.gz RMAUTKLOKUNFLF-UHFFFAOYSA-N 0 0 407.510 4.800 50 0 HJAARN CCN1c2cc(NC(=O)Nc3cc(Cl)ccc3OC)ccc2OCC(C)(C)C1=O ZINC000022509555 568769093 /nfs/dbraw/zinc/76/90/93/568769093.db2.gz JRDLDDZOWSVKDV-UHFFFAOYSA-N 0 0 417.893 4.764 50 0 HJAARN O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)c1ccc(Cl)cc1 ZINC000002459463 568771473 /nfs/dbraw/zinc/77/14/73/568771473.db2.gz ZWXFLUFHCGRVPX-UHFFFAOYSA-N 0 0 414.939 4.509 50 0 HJAARN [O-]c1c([C@H](c2cccc(F)c2)[NH+]2CCC(Cc3ccccc3)CC2)sc2ncnn12 ZINC000022609544 568771769 /nfs/dbraw/zinc/77/17/69/568771769.db2.gz KSDZZAVUIVEKKF-FQEVSTJZSA-N 0 0 422.529 4.680 50 0 HJAARN O=C(Cc1ccc(Br)cc1)OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000001139933 568772175 /nfs/dbraw/zinc/77/21/75/568772175.db2.gz SHGSTYBQKSWVQS-UHFFFAOYSA-N 0 0 402.071 4.725 50 0 HJAARN CCCCCn1c(SCc2nc(-c3ccccc3)no2)nc2ccccc2c1=O ZINC000225530900 568772388 /nfs/dbraw/zinc/77/23/88/568772388.db2.gz LTIPUZYUXQRLKD-UHFFFAOYSA-N 0 0 406.511 4.929 50 0 HJAARN O=C(Nc1ccc(F)c(Cl)c1)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000002466544 568772529 /nfs/dbraw/zinc/77/25/29/568772529.db2.gz URABHOFIFZIGKF-FCHUYYIVSA-N 0 0 420.871 4.955 50 0 HJAARN CCCCC(=O)N1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1 ZINC000002471426 568773591 /nfs/dbraw/zinc/77/35/91/568773591.db2.gz SLSSUTJEYUADIM-HXUWFJFHSA-N 0 0 401.304 4.509 50 0 HJAARN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCCCCC4)cc3N2)cc1 ZINC000002474742 568773811 /nfs/dbraw/zinc/77/38/11/568773811.db2.gz XDYQIEXEQJROFX-SJLPKXTDSA-N 0 0 406.452 4.868 50 0 HJAARN O=S(=O)(Nc1cc2c3c(oc2c(Br)c1)CCCC3)c1ccccc1 ZINC000002475360 568774020 /nfs/dbraw/zinc/77/40/20/568774020.db2.gz IWSYZLWTMXALHI-UHFFFAOYSA-N 0 0 406.301 4.875 50 0 HJAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc(Cn2cc(Br)cn2)cc1 ZINC000027970021 568774681 /nfs/dbraw/zinc/77/46/81/568774681.db2.gz UGFUZVJRNJGIDJ-HXUWFJFHSA-N 0 0 410.315 4.501 50 0 HJAARN O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2)c1cc2ccccc2s1 ZINC000225620053 568776781 /nfs/dbraw/zinc/77/67/81/568776781.db2.gz NJGIBYVIEBPAEH-KRWDZBQOSA-N 0 0 406.507 4.931 50 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ZINC000002635739 568792063 /nfs/dbraw/zinc/79/20/63/568792063.db2.gz VFATYYVLNCQPPT-UHFFFAOYSA-N 0 0 404.466 4.825 50 0 HJAARN O=C(N[C@@H]1CCOc2ccccc21)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000008029171 568793272 /nfs/dbraw/zinc/79/32/72/568793272.db2.gz SKYKONWWTIGBNC-HXUWFJFHSA-N 0 0 415.518 4.914 50 0 HJAARN C[C@H]1CCc2nc3sc(C(=O)Nc4ccc(C(F)(F)F)cn4)c(N)c3cc2C1 ZINC000215712645 568793310 /nfs/dbraw/zinc/79/33/10/568793310.db2.gz OCKKCJDYCNRAQT-VIFPVBQESA-N 0 0 406.433 4.669 50 0 HJAARN COC(=O)c1sc2nc(C)nc(SCCCC(=O)c3ccccc3)c2c1C ZINC000002642954 568794167 /nfs/dbraw/zinc/79/41/67/568794167.db2.gz ZIBWGEDQEYEVQL-UHFFFAOYSA-N 0 0 400.525 4.850 50 0 HJAARN O=C(CSc1ccc2c(c1)OCCO2)N(Cc1ccccc1)Cc1ccccc1 ZINC000002648809 568795680 /nfs/dbraw/zinc/79/56/80/568795680.db2.gz KPDIPHHMSGUNMO-UHFFFAOYSA-N 0 0 405.519 4.779 50 0 HJAARN O=C(COc1ccc(Br)cc1)OCc1csc(-c2ccccc2)n1 ZINC000002648966 568795697 /nfs/dbraw/zinc/79/56/97/568795697.db2.gz WHQNARQTRLOGLE-UHFFFAOYSA-N 0 0 404.285 4.695 50 0 HJAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000002656897 568797886 /nfs/dbraw/zinc/79/78/86/568797886.db2.gz PYESLBSGSKZUEA-UHFFFAOYSA-N 0 0 408.523 4.636 50 0 HJAARN Cc1nc(NC(=O)COC(=O)CSc2ccc(Cl)cc2)c(Cl)cc1Cl ZINC000002664770 568800006 /nfs/dbraw/zinc/80/00/06/568800006.db2.gz WOLYFFKAYPQSPW-UHFFFAOYSA-N 0 0 419.717 4.624 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1C ZINC000002705762 568801935 /nfs/dbraw/zinc/80/19/35/568801935.db2.gz ALPVBYSTKAHTHX-UHFFFAOYSA-N 0 0 410.783 4.509 50 0 HJAARN CCc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4C)[C@@H]3C2=O)cc1 ZINC000230038163 568803292 /nfs/dbraw/zinc/80/32/92/568803292.db2.gz IDGCKJXQNAKQSW-RBZQAINGSA-N 0 0 412.489 4.609 50 0 HJAARN O=C(c1ccccc1Cl)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccc(F)cc1 ZINC000002724734 568803652 /nfs/dbraw/zinc/80/36/52/568803652.db2.gz HSPWDYWHPHVFGO-NRFANRHFSA-N 0 0 412.823 4.802 50 0 HJAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)c1C ZINC000002726487 568804076 /nfs/dbraw/zinc/80/40/76/568804076.db2.gz TXNUPOCEGVXQDS-UHFFFAOYSA-N 0 0 420.494 4.650 50 0 HJAARN O=C(NC1CCCCCC1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000002780436 568808504 /nfs/dbraw/zinc/80/85/04/568808504.db2.gz KGLNXHHLHALYQP-UHFFFAOYSA-N 0 0 408.449 4.929 50 0 HJAARN Cc1ccc(C(=O)Nc2c(C(N)=O)sc3nc(C(F)F)cc(C4CC4)c32)cc1 ZINC000002791081 568809937 /nfs/dbraw/zinc/80/99/37/568809937.db2.gz LWSFENNANLLBJI-UHFFFAOYSA-N 0 0 401.438 4.771 50 0 HJAARN CCOC(=O)c1sc2ncn3nc([C@H]4C[C@H]4c4ccc(Cl)cc4)nc3c2c1C ZINC000002791519 568809953 /nfs/dbraw/zinc/80/99/53/568809953.db2.gz RXVSFEPPDMBXRM-KBPBESRZSA-N 0 0 412.902 4.749 50 0 HJAARN Cc1cc(OCc2ccc(C(=O)Nc3ncn(Cc4ccccc4)n3)o2)ccc1Cl ZINC000002796540 568810460 /nfs/dbraw/zinc/81/04/60/568810460.db2.gz QLKFZQNXDROGDQ-UHFFFAOYSA-N 0 0 422.872 4.713 50 0 HJAARN COc1ccccc1[C@H](CNC(=O)c1sc2nc(C)cc(C)c2c1C)N1CCCC1 ZINC000029045417 568815723 /nfs/dbraw/zinc/81/57/23/568815723.db2.gz WASGUNZSGMGKPY-IBGZPJMESA-N 0 0 423.582 4.797 50 0 HJAARN CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)Nc2ccccc2OC)c1C ZINC000002928930 568817974 /nfs/dbraw/zinc/81/79/74/568817974.db2.gz CIDKVJBFVVSJKO-UHFFFAOYSA-N 0 0 406.482 4.678 50 0 HJAARN COC(=O)[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC(=O)[C@]12C ZINC000257356755 568818096 /nfs/dbraw/zinc/81/80/96/568818096.db2.gz KCWRJZPEFSQWMV-IGVRAACOSA-N 0 0 418.574 4.565 50 0 HJAARN COc1cc(-c2nc(C(=O)NCC3CC3)cs2)ccc1OCc1cccc(F)c1 ZINC000034717312 568819384 /nfs/dbraw/zinc/81/93/84/568819384.db2.gz HRRUCDRNJKDAIV-UHFFFAOYSA-N 0 0 412.486 4.677 50 0 HJAARN COc1ccc(Cc2nc3ccccc3n2C[C@@H](O)COc2ccc(Cl)cc2)cc1 ZINC000082087050 568820744 /nfs/dbraw/zinc/82/07/44/568820744.db2.gz DDXLPMMTMZJAOA-LJQANCHMSA-N 0 0 422.912 4.729 50 0 HJAARN Cc1ccc(OCc2nc3ccccc3n2C[C@H](O)COc2cc(C)ccc2C)cc1 ZINC000082086805 568820979 /nfs/dbraw/zinc/82/09/79/568820979.db2.gz GBOJWAQKHRYPSP-NRFANRHFSA-N 0 0 416.521 4.980 50 0 HJAARN NC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1c(F)cccc1Cl ZINC000015228682 568821013 /nfs/dbraw/zinc/82/10/13/568821013.db2.gz CBYMNGIUKNFYFI-ACCUITESSA-N 0 0 424.859 4.546 50 0 HJAARN O=C(Cc1ccccc1)NC(=S)Nc1ccc2oc(-c3ccccc3F)nc2c1 ZINC000001180130 568822085 /nfs/dbraw/zinc/82/20/85/568822085.db2.gz VOAQUNUCMXTYOA-UHFFFAOYSA-N 0 0 405.454 4.690 50 0 HJAARN CC1=C(C(=O)OC2CCCCCCC2)[C@@H](c2ccccc2Br)NC(=O)N1 ZINC000001193776 568823065 /nfs/dbraw/zinc/82/30/65/568823065.db2.gz BOBIVWSCIOTQQM-GOSISDBHSA-N 0 0 421.335 4.733 50 0 HJAARN O=C(Nc1nncs1)c1cc(-c2cccc(Br)c2)nc2ccccc21 ZINC000001200742 568823700 /nfs/dbraw/zinc/82/37/00/568823700.db2.gz UZPUNFHKMWXDPB-UHFFFAOYSA-N 0 0 411.284 4.768 50 0 HJAARN Cc1c([C@@H](C)NC(=O)c2cc(C3CC3)on2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000029295353 568824187 /nfs/dbraw/zinc/82/41/87/568824187.db2.gz CAFTUFNRMAJSOI-LLVKDONJSA-N 0 0 404.392 4.556 50 0 HJAARN CC(C)(C)OC(=O)N1CCN(c2ccc(-c3noc(C4CCCCC4)n3)cc2)CC1 ZINC000063111075 568824649 /nfs/dbraw/zinc/82/46/49/568824649.db2.gz LNIRDQQNTQXGJJ-UHFFFAOYSA-N 0 0 412.534 4.841 50 0 HJAARN 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CC(=O)c1ccc(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)cc1 ZINC000012602825 568870237 /nfs/dbraw/zinc/87/02/37/568870237.db2.gz DXZUWTFLRXCVQV-UHFFFAOYSA-N 0 0 401.491 4.959 50 0 HJAARN COc1cc2c(cc1OC)C(=O)N(C)[C@@H](c1ccc(-c3nc4ccccc4s3)o1)N2 ZINC000030541076 568870313 /nfs/dbraw/zinc/87/03/13/568870313.db2.gz OOUFPAZOCSMANQ-FQEVSTJZSA-N 0 0 421.478 4.770 50 0 HJAARN COc1cc(CN[C@H](c2ccccc2)c2ccccn2)ccc1OCc1ccncc1 ZINC000030544728 568870351 /nfs/dbraw/zinc/87/03/51/568870351.db2.gz UMJIMTYNMSCTEB-AREMUKBSSA-N 0 0 411.505 4.943 50 0 HJAARN O=C(COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(F)cc1 ZINC000003273362 568870725 /nfs/dbraw/zinc/87/07/25/568870725.db2.gz DTMUBUWOIFJHKL-UHFFFAOYSA-N 0 0 400.409 4.718 50 0 HJAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)Nc1ccccc1 ZINC000003293033 568874150 /nfs/dbraw/zinc/87/41/50/568874150.db2.gz DWZILXXZMUWLMF-UHFFFAOYSA-N 0 0 424.913 4.971 50 0 HJAARN C[C@H](Nc1nc(-c2cccnc2)nc2sc3c(c21)CC[C@@H](C)C3)C(=O)NC(C)(C)C ZINC000058003981 568874306 /nfs/dbraw/zinc/87/43/06/568874306.db2.gz OZATVCHJPPNZBM-KGLIPLIRSA-N 0 0 423.586 4.593 50 0 HJAARN C[C@@H](NC(=O)C(=Cc1ccsc1)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000012623091 568877577 /nfs/dbraw/zinc/87/75/77/568877577.db2.gz OFNRXIYMEPLHSE-HDICACEKSA-N 0 0 404.535 4.886 50 0 HJAARN Cc1ccccc1-n1c(SCC(=O)N2CCCC2)nnc1-c1ccc(Cl)cc1 ZINC000003312541 568878628 /nfs/dbraw/zinc/87/86/28/568878628.db2.gz VVFYROLAPNLUIO-UHFFFAOYSA-N 0 0 412.946 4.611 50 0 HJAARN CSc1ccc(Cl)c(C(=O)OCc2nc(=O)c3c4c(sc3[nH]2)CCCC4)c1 ZINC000003316869 568879323 /nfs/dbraw/zinc/87/93/23/568879323.db2.gz OYYMRQJGQMMPQH-UHFFFAOYSA-N 0 0 420.943 4.596 50 0 HJAARN COc1cc(-c2nnc(SCCOc3ccccc3Cl)o2)cc(OC)c1OC ZINC000003318909 568879923 /nfs/dbraw/zinc/87/99/23/568879923.db2.gz ZHRLWZGABPMYTF-UHFFFAOYSA-N 0 0 422.890 4.587 50 0 HJAARN CN(C(=O)COc1ccc2c(c1)occ(Oc1ccccc1)c2=O)c1ccccc1 ZINC000003320313 568880085 /nfs/dbraw/zinc/88/00/85/568880085.db2.gz MMUUQMHEUYHWFB-UHFFFAOYSA-N 0 0 401.418 4.627 50 0 HJAARN CCOc1ccccc1NC(=O)CNc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000003325238 568881182 /nfs/dbraw/zinc/88/11/82/568881182.db2.gz BEVKDBHYLXBZJS-UHFFFAOYSA-N 0 0 407.445 4.527 50 0 HJAARN Cc1nnc(NC(=O)CSc2cn(Cc3cccc(F)c3)c3ccccc23)s1 ZINC000004059670 568881273 /nfs/dbraw/zinc/88/12/73/568881273.db2.gz CJPGBAADCKQMHP-UHFFFAOYSA-N 0 0 412.515 4.719 50 0 HJAARN COC(=O)c1nc(NC(=O)C[C@@H](c2ccsc2)n2cccc2)sc1CC(C)C ZINC000263587192 568882407 /nfs/dbraw/zinc/88/24/07/568882407.db2.gz DGLPPRKOWKODOD-HNNXBMFYSA-N 0 0 417.556 4.609 50 0 HJAARN O=C(COc1ccc(Cl)cc1)Nc1nnc(SCc2cccc(F)c2)s1 ZINC000004078281 568882694 /nfs/dbraw/zinc/88/26/94/568882694.db2.gz RGAJIAWIZTZXQA-UHFFFAOYSA-N 0 0 409.895 4.640 50 0 HJAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1Br ZINC000003344476 568884314 /nfs/dbraw/zinc/88/43/14/568884314.db2.gz ZRCSVOWJLRHWDZ-UHFFFAOYSA-N 0 0 418.209 4.745 50 0 HJAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000003350589 568885730 /nfs/dbraw/zinc/88/57/30/568885730.db2.gz GISDDCAIAKFEGU-UHFFFAOYSA-N 0 0 423.340 4.767 50 0 HJAARN O=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000058139136 568890443 /nfs/dbraw/zinc/89/04/43/568890443.db2.gz MYDOJLUETIOLCL-UHFFFAOYSA-N 0 0 421.928 4.893 50 0 HJAARN C[C@@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1)C(=O)c1ccccc1 ZINC000003376225 568891360 /nfs/dbraw/zinc/89/13/60/568891360.db2.gz HSSGSUOZYDUZBF-HUUCEWRRSA-N 0 0 414.962 4.907 50 0 HJAARN Cc1nc2sc3c(c2c(N2CCN(Cc4ccccc4F)CC2)n1)CCCCC3 ZINC000058146609 568892188 /nfs/dbraw/zinc/89/21/88/568892188.db2.gz OHXPTGRAZOXHJS-UHFFFAOYSA-N 0 0 410.562 4.730 50 0 HJAARN COc1ccc(-n2c(=O)c3ccccc3nc2S[C@@H]2CCCCC2=O)cc1Cl ZINC000003406385 568897297 /nfs/dbraw/zinc/89/72/97/568897297.db2.gz JNVUGCHFRBAMIC-LJQANCHMSA-N 0 0 414.914 4.652 50 0 HJAARN C[C@H](NC(=O)CSc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1ccccc1 ZINC000003411775 568898278 /nfs/dbraw/zinc/89/82/78/568898278.db2.gz LFHDFJYIGLLENY-AWEZNQCLSA-N 0 0 421.547 4.621 50 0 HJAARN Cc1ccccc1C(=O)N[C@H](C(=O)NC(c1ccccc1)c1ccccc1)C(C)C ZINC000003428169 568900966 /nfs/dbraw/zinc/90/09/66/568900966.db2.gz RHTRRHZOBXGIDW-QHCPKHFHSA-N 0 0 400.522 4.655 50 0 HJAARN CN(C)c1ccc([C@H](CNC(=O)Cc2cccs2)c2c[nH]c3ccccc32)cc1 ZINC000003433920 568902238 /nfs/dbraw/zinc/90/22/38/568902238.db2.gz MJKSEUPKXDKANA-NRFANRHFSA-N 0 0 403.551 4.786 50 0 HJAARN COc1ccc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1OC(F)F ZINC000030926872 568903674 /nfs/dbraw/zinc/90/36/74/568903674.db2.gz JUULRMMHYOPTHE-UHFFFAOYSA-N 0 0 422.428 4.574 50 0 HJAARN Cc1cc2nnc(S[C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)n2c2ccccc12 ZINC000003444896 568904349 /nfs/dbraw/zinc/90/43/49/568904349.db2.gz RGOACMJTIJJKRS-LSDHHAIUSA-N 0 0 408.502 4.688 50 0 HJAARN CCc1cc2c(nc(SCc3c(C)noc3C)n(Cc3ccccc3)c2=O)s1 ZINC000003447059 568904703 /nfs/dbraw/zinc/90/47/03/568904703.db2.gz ULYHIYYYQFGMFA-UHFFFAOYSA-N 0 0 411.552 4.966 50 0 HJAARN C[C@@H](OC(=O)c1sc2ccccc2c1Cl)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000003448031 568904944 /nfs/dbraw/zinc/90/49/44/568904944.db2.gz RPFGFVHVQXXJMZ-LLVKDONJSA-N 0 0 417.870 4.510 50 0 HJAARN O=C(COC(=O)CCCOc1ccc(Cl)cc1Cl)Nc1ccc(F)c(F)c1 ZINC000012659468 568906902 /nfs/dbraw/zinc/90/69/02/568906902.db2.gz QBOYCPPXPWKBRW-UHFFFAOYSA-N 0 0 418.223 4.613 50 0 HJAARN Cc1cc(C(=O)N(C)Cc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)no1 ZINC000012679334 568907550 /nfs/dbraw/zinc/90/75/50/568907550.db2.gz RZENZCUITRFIAI-UHFFFAOYSA-N 0 0 420.900 4.820 50 0 HJAARN Cc1c(Cl)cccc1-n1c(SCC(=O)C(C)(C)C)nnc1-c1ccncc1 ZINC000003477176 568908122 /nfs/dbraw/zinc/90/81/22/568908122.db2.gz OTMUPWLOORDUAI-UHFFFAOYSA-N 0 0 400.935 4.998 50 0 HJAARN COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2cc(C)cc(C)c2)o1 ZINC000003477302 568908211 /nfs/dbraw/zinc/90/82/11/568908211.db2.gz XCTOETXVGNMKIF-UHFFFAOYSA-N 0 0 420.490 4.674 50 0 HJAARN CCOc1nc2sc3c(c2c2nnc(SC/C=C(\C)Cl)n21)CC(C)(C)OC3 ZINC000001260390 568909213 /nfs/dbraw/zinc/90/92/13/568909213.db2.gz ZTMLTVHKXKBIPW-UXBLZVDNSA-N 0 0 424.979 4.824 50 0 HJAARN C[C@@H](Sc1nnc(NCc2ccccc2)s1)C(=O)Nc1cccc(Cl)c1 ZINC000003490805 568909321 /nfs/dbraw/zinc/90/93/21/568909321.db2.gz RUPFRHPOKNOLHW-GFCCVEGCSA-N 0 0 404.948 4.923 50 0 HJAARN COc1ccc(C2=NN(C(C)=O)[C@@H](c3cc4ccc(C)cc4nc3Cl)C2)cc1OC ZINC000001261542 568909334 /nfs/dbraw/zinc/90/93/34/568909334.db2.gz YLQFFPNNSPZEEP-HXUWFJFHSA-N 0 0 423.900 4.911 50 0 HJAARN Cc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000003498800 568909930 /nfs/dbraw/zinc/90/99/30/568909930.db2.gz OAISUPQYWVYMKU-QGZVFWFLSA-N 0 0 415.522 4.757 50 0 HJAARN CC(C)Oc1ccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccccc3)OC4)n2)cc1 ZINC000263615511 568910333 /nfs/dbraw/zinc/91/03/33/568910333.db2.gz CTHLSFDPKYZKCZ-OAQYLSRUSA-N 0 0 402.454 4.659 50 0 HJAARN CSC1=NC2(CCN(C(=O)NC3CCCCC3)CC2)N=C1c1ccc(Cl)cc1 ZINC000263618019 568911805 /nfs/dbraw/zinc/91/18/05/568911805.db2.gz QWRHCCBLCWXBIY-UHFFFAOYSA-N 0 0 418.994 4.739 50 0 HJAARN CCOc1cccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccc(Cl)cc3)OC4)n2)c1 ZINC000263618490 568911814 /nfs/dbraw/zinc/91/18/14/568911814.db2.gz UAYBFNMCYVVVGV-HXUWFJFHSA-N 0 0 422.872 4.924 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc2n(n1)C[C@H](c1ccc(F)cc1)OC2 ZINC000263619465 568912696 /nfs/dbraw/zinc/91/26/96/568912696.db2.gz YTJORAGQMNAXKM-GOSISDBHSA-N 0 0 405.351 4.565 50 0 HJAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@]32CCOC(C)(C)C2)cc1OC ZINC000001294640 568912774 /nfs/dbraw/zinc/91/27/74/568912774.db2.gz LWRLBQILWIOHKS-DVECYGJZSA-N 0 0 408.498 4.533 50 0 biogenic HJAARN Cc1nc2sc3c(c2c2nnc(S[C@@H](C)C(=O)Nc4ccccc4)n21)CCCC3 ZINC000001295846 568912953 /nfs/dbraw/zinc/91/29/53/568912953.db2.gz FRZSXPPGIATWRE-LBPRGKRZSA-N 0 0 423.567 4.646 50 0 HJAARN O=C(Nc1ccc(F)cc1)[C@H](OC(=O)c1ccc(Br)o1)c1ccccc1 ZINC000003530879 568913001 /nfs/dbraw/zinc/91/30/01/568913001.db2.gz ZHVCEEXIPATVFP-QGZVFWFLSA-N 0 0 418.218 4.718 50 0 HJAARN CC(=O)c1ccc(NC(=O)CSc2ncccc2-c2nc3ccccc3[nH]2)cc1 ZINC000001329201 568914875 /nfs/dbraw/zinc/91/48/75/568914875.db2.gz HMROMSAPXFIMDC-UHFFFAOYSA-N 0 0 402.479 4.558 50 0 HJAARN COc1cccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@]32CCOC(C)(C)C2)c1 ZINC000001322997 568914902 /nfs/dbraw/zinc/91/49/02/568914902.db2.gz UFIMLKDNTIHZMN-YKSBVNFPSA-N 0 0 408.498 4.533 50 0 biogenic HJAARN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1 ZINC000058434663 568918781 /nfs/dbraw/zinc/91/87/81/568918781.db2.gz ZDMCHGBQXPSEAK-GBXCKJPGSA-N 0 0 421.585 4.548 50 0 HJAARN COC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@H](C(=O)OC)[C@@H]1c1cccc(F)c1 ZINC000003623420 568920764 /nfs/dbraw/zinc/92/07/64/568920764.db2.gz VEFGGYRPBQHPPA-SFTDATJTSA-N 0 0 409.457 4.506 50 0 HJAARN CN(Cc1csc2ccccc12)S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000083867708 568921868 /nfs/dbraw/zinc/92/18/68/568921868.db2.gz LNJFDAIASBRMEM-UHFFFAOYSA-N 0 0 401.431 4.621 50 0 HJAARN O=C1CS[C@]2(c3ccccc3N(Cc3ccccc3Cl)C2=O)N1c1ccccc1 ZINC000001387940 568922976 /nfs/dbraw/zinc/92/29/76/568922976.db2.gz XUWASTKRBJMTGT-QHCPKHFHSA-N 0 0 420.921 4.820 50 0 HJAARN O=C(c1cccc(Cl)c1)c1nn(-c2ccccc2Cl)c(=O)cc1C(F)(F)F ZINC000001389657 568923365 /nfs/dbraw/zinc/92/33/65/568923365.db2.gz VNLQHBJXWDXHFR-UHFFFAOYSA-N 0 0 413.182 4.789 50 0 HJAARN O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000001389898 568923443 /nfs/dbraw/zinc/92/34/43/568923443.db2.gz SBNBABZHHCTYEC-MRXNPFEDSA-N 0 0 424.309 4.569 50 0 HJAARN C[C@H](NC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccc(Cl)cc1Cl ZINC000012734372 568923588 /nfs/dbraw/zinc/92/35/88/568923588.db2.gz IGLKUUKSRYDOHC-AWEZNQCLSA-N 0 0 420.340 4.658 50 0 HJAARN Cc1nn(C)c2sc(C(=O)N(CCc3cccs3)Cc3cccs3)cc12 ZINC000025847652 568924205 /nfs/dbraw/zinc/92/42/05/568924205.db2.gz LVRKLHDEMSBPJE-UHFFFAOYSA-N 0 0 401.582 4.951 50 0 HJAARN O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@@H]1CCCCN1C(=O)c1cccs1 ZINC000012735725 568924888 /nfs/dbraw/zinc/92/48/88/568924888.db2.gz MEOFTXCDIKCDJW-ZDUSSCGKSA-N 0 0 414.861 4.636 50 0 HJAARN O=C(CSc1nc(C(F)(F)F)cc(=O)n1-c1ccccc1)c1ccc(Cl)cc1 ZINC000001394865 568925196 /nfs/dbraw/zinc/92/51/96/568925196.db2.gz JWYMMQHGCPVMQC-UHFFFAOYSA-N 0 0 424.831 4.880 50 0 HJAARN Cc1cc2nc(C)c(CCC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)c(C)n2n1 ZINC000031390758 568925436 /nfs/dbraw/zinc/92/54/36/568925436.db2.gz IWGYQCVNQLJSRG-LJQANCHMSA-N 0 0 419.554 4.561 50 0 HJAARN Cc1ccccc1-n1c(SCc2nc(CC(C)C)no2)nnc1-c1cccnc1 ZINC000012738926 568926427 /nfs/dbraw/zinc/92/64/27/568926427.db2.gz HJTLVCCROYIJDW-UHFFFAOYSA-N 0 0 406.515 4.512 50 0 HJAARN CCN(CC)c1ccc(-c2nnc(S[C@@H](C)c3nc(C(C)(C)C)no3)n2C)cc1 ZINC000031750073 568930255 /nfs/dbraw/zinc/93/02/55/568930255.db2.gz LYMPMKOIVUBNLR-AWEZNQCLSA-N 0 0 414.579 4.862 50 0 HJAARN O=C(CCCC(=O)c1cccs1)NCc1ccc(CN2CCc3ccccc32)cc1 ZINC000031818577 568932693 /nfs/dbraw/zinc/93/26/93/568932693.db2.gz OWZUTJRYXSISIC-UHFFFAOYSA-N 0 0 418.562 4.980 50 0 HJAARN CC(=O)O[C@@H]1C=C2CC[C@H]3[C@@H]4CC[C@](OC(C)=O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000004025108 568933919 /nfs/dbraw/zinc/93/39/19/568933919.db2.gz JNZLFQBVNULBKB-JNFBOQJPSA-N 0 0 416.558 4.772 50 0 biogenic HJAARN CC(=O)O[C@@H]1C=C2CC[C@H]3[C@H]4CC[C@](OC(C)=O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000004025110 568933959 /nfs/dbraw/zinc/93/39/59/568933959.db2.gz JNZLFQBVNULBKB-YDHFMQRRSA-N 0 0 416.558 4.772 50 0 biogenic HJAARN C[C@@H](Nc1ncnc2scc(-c3ccccc3)c21)c1ccc(S(C)(=O)=O)cc1 ZINC000012748170 568934327 /nfs/dbraw/zinc/93/43/27/568934327.db2.gz HBLZAKRRDVBQMW-CQSZACIVSA-N 0 0 409.536 4.935 50 0 HJAARN Cc1nc(C)c([C@@H](C)NC(=O)c2c3c(sc2-n2cccc2)CSCC3)s1 ZINC000084062366 568934598 /nfs/dbraw/zinc/93/45/98/568934598.db2.gz MLASXWKDCVUBNG-GFCCVEGCSA-N 0 0 403.598 4.892 50 0 HJAARN CCOc1ncccc1C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000012748716 568935036 /nfs/dbraw/zinc/93/50/36/568935036.db2.gz KSYJVVQLKBVZTF-UHFFFAOYSA-N 0 0 418.316 4.542 50 0 HJAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)OCC3(C)COC3)cc12 ZINC000084068061 568935466 /nfs/dbraw/zinc/93/54/66/568935466.db2.gz QWSXCOXQARSCCZ-UHFFFAOYSA-N 0 0 410.417 4.608 50 0 HJAARN COc1ccc([C@@H]2OC(=O)N(Cc3ccc(C)cc3)[C@@]2(O)c2ccc(OC)cc2)cc1 ZINC000001422850 568938481 /nfs/dbraw/zinc/93/84/81/568938481.db2.gz UKQWUEJMMMZSJK-UKILVPOCSA-N 0 0 419.477 4.551 50 0 HJAARN O=C(CSc1nnc(NC(=O)c2ccc3ccccc3c2)s1)c1ccccc1 ZINC000004079392 568938845 /nfs/dbraw/zinc/93/88/45/568938845.db2.gz POYYLWFQNMARLK-UHFFFAOYSA-N 0 0 405.504 4.919 50 0 HJAARN CC(C)(C)C(=O)NCCC(=O)N(c1cccc(Br)c1)C1CCCCC1 ZINC000084140112 568940102 /nfs/dbraw/zinc/94/01/02/568940102.db2.gz BGKGTCTXHVVTMU-UHFFFAOYSA-N 0 0 409.368 4.667 50 0 HJAARN CCCSc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1Cc1ccccc1 ZINC000004087467 568941022 /nfs/dbraw/zinc/94/10/22/568941022.db2.gz LFIKSKSPEWZULZ-UHFFFAOYSA-N 0 0 424.614 4.661 50 0 HJAARN CCCCn1c(CNC(=O)C23CC4CC(CC(C4)C2)C3)nnc1S[C@H](C)CC ZINC000004087525 568941060 /nfs/dbraw/zinc/94/10/60/568941060.db2.gz OZTVRIRHBDDNAD-NOCBQHASSA-N 0 0 404.624 4.801 50 0 HJAARN COc1ccc(/C=C/C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1OC ZINC000004087791 568941081 /nfs/dbraw/zinc/94/10/81/568941081.db2.gz BRILADUDBSYWSM-ONNFQVAWSA-N 0 0 401.875 4.528 50 0 HJAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)Nc1ccc(F)cc1F ZINC000012752258 568941231 /nfs/dbraw/zinc/94/12/31/568941231.db2.gz RDQSNBUZPGQOLD-UHFFFAOYSA-N 0 0 423.341 4.608 50 0 HJAARN O=C1Nc2ccccc2[C@@]12Oc1ccccc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000004112584 568944181 /nfs/dbraw/zinc/94/41/81/568944181.db2.gz QBOVYOUGOKOQIY-NZQKXSOJSA-N 0 0 401.853 4.689 50 0 HJAARN COc1ccc(CN(C2CC2)S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000012761130 568945449 /nfs/dbraw/zinc/94/54/49/568945449.db2.gz AYHCGIJGNKNJIV-UHFFFAOYSA-N 0 0 419.852 4.721 50 0 HJAARN C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2c[nH]c3ccccc32)C1 ZINC000004134263 568945497 /nfs/dbraw/zinc/94/54/97/568945497.db2.gz RIWFNDWJYRDXTG-UOIPHLHCSA-N 0 0 415.537 4.583 50 0 HJAARN CCc1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2CC)cc1 ZINC000004138539 568945573 /nfs/dbraw/zinc/94/55/73/568945573.db2.gz AFGGMQATTJMFRD-UHFFFAOYSA-N 0 0 405.527 4.740 50 0 HJAARN CC(=O)c1ccc(O[C@H](C)C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000012762802 568946563 /nfs/dbraw/zinc/94/65/63/568946563.db2.gz LEIFJQIVSBTSQI-AEFFLSMTSA-N 0 0 408.523 4.672 50 0 HJAARN COc1ccc(CN(C)C(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)cc1 ZINC000012762429 568946788 /nfs/dbraw/zinc/94/67/88/568946788.db2.gz TVENUPAZVXPDQW-UHFFFAOYSA-N 0 0 414.509 4.960 50 0 HJAARN COc1cc(OC)cc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2)c1 ZINC000004162440 568947348 /nfs/dbraw/zinc/94/73/48/568947348.db2.gz HUUABPGPFWVPLN-UHFFFAOYSA-N 0 0 416.433 4.955 50 0 HJAARN COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(Br)o2)c1 ZINC000012763838 568947366 /nfs/dbraw/zinc/94/73/66/568947366.db2.gz SLENSBHHNPDAFR-UHFFFAOYSA-N 0 0 415.243 4.555 50 0 HJAARN Cc1c(-c2ccccc2)sc2ncn(CC(=O)N3CCC[C@@H]4CCCC[C@@H]43)c(=O)c12 ZINC000012765254 568948065 /nfs/dbraw/zinc/94/80/65/568948065.db2.gz WSWIZUZXSPDHLN-HKUYNNGSSA-N 0 0 421.566 4.615 50 0 HJAARN Cc1c(-c2ccccc2)sc2ncn(CC(=O)N3CCC[C@@H]4CCCC[C@H]43)c(=O)c12 ZINC000012765263 568948111 /nfs/dbraw/zinc/94/81/11/568948111.db2.gz WSWIZUZXSPDHLN-PKOBYXMFSA-N 0 0 421.566 4.615 50 0 HJAARN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)[C@H]1Cc2ccccc2S1 ZINC000012765529 568948164 /nfs/dbraw/zinc/94/81/64/568948164.db2.gz YYPTZDUKQOIVIT-HXUWFJFHSA-N 0 0 404.539 4.635 50 0 HJAARN Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(Br)cc1)CSC2 ZINC000004175968 568948631 /nfs/dbraw/zinc/94/86/31/568948631.db2.gz AKUFZTMYLJLQLA-UHFFFAOYSA-N 0 0 414.328 4.942 50 0 HJAARN C[C@@H]1CCc2sc(NC(=O)c3ccc(Cc4ccccc4)cc3)c(C(N)=O)c2C1 ZINC000004177476 568949017 /nfs/dbraw/zinc/94/90/17/568949017.db2.gz UDJDNZHKKFEVEG-OAHLLOKOSA-N 0 0 404.535 4.815 50 0 HJAARN O=C(c1csc(-c2ccc(Cl)s2)n1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000084445403 568949270 /nfs/dbraw/zinc/94/92/70/568949270.db2.gz HENAJMSCFWJEFT-NEPJUHHUSA-N 0 0 415.005 4.652 50 0 HJAARN CC(=O)N(c1nc(/C=C/C(=O)N2c3ccccc3C[C@H]2C)cs1)c1ccccc1 ZINC000012770035 568950511 /nfs/dbraw/zinc/95/05/11/568950511.db2.gz JELQLWPNWCZALM-CJTWTEFWSA-N 0 0 403.507 4.819 50 0 HJAARN O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccccc1Br ZINC000004194491 568950927 /nfs/dbraw/zinc/95/09/27/568950927.db2.gz AFCDBRRCBBEBPY-UHFFFAOYSA-N 0 0 403.257 4.554 50 0 HJAARN O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1cnc(-c2ccccc2)nc1 ZINC000084564858 568951062 /nfs/dbraw/zinc/95/10/62/568951062.db2.gz ISFRNIYTSKATNJ-UHFFFAOYSA-N 0 0 409.371 4.600 50 0 HJAARN Cc1cc(C(=O)NCc2ccccc2-c2ccc(CN3CCCC3=O)cc2)c(C)o1 ZINC000012770335 568951452 /nfs/dbraw/zinc/95/14/52/568951452.db2.gz QDASXVLFBMJLOQ-UHFFFAOYSA-N 0 0 402.494 4.616 50 0 HJAARN C[C@H]1CCc2c(sc3[nH]c(COC(=O)C4(c5ccccc5)CCCC4)nc(=O)c23)C1 ZINC000012771714 568951995 /nfs/dbraw/zinc/95/19/95/568951995.db2.gz MOVVODOOBHIMRP-HNNXBMFYSA-N 0 0 422.550 4.665 50 0 HJAARN Cc1ccc(-n2c(SCC(=O)N3CCC(C)CC3)nnc2-c2ccc(F)cc2)cc1 ZINC000004211987 568952027 /nfs/dbraw/zinc/95/20/27/568952027.db2.gz YPDHEGLOIZQHFR-UHFFFAOYSA-N 0 0 424.545 4.732 50 0 HJAARN Cc1nc2sc3c(c2c(-c2ccccc2)c1C(=O)N1CCOCC1)CC[C@@H](C)C3 ZINC000012772152 568952277 /nfs/dbraw/zinc/95/22/77/568952277.db2.gz DTGLSSXCAFXZKK-OAHLLOKOSA-N 0 0 406.551 4.869 50 0 HJAARN CCc1cccc(CC)c1-n1ccnc1SCC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000004248651 568953700 /nfs/dbraw/zinc/95/37/00/568953700.db2.gz KEVGNVAPTAAAMF-UHFFFAOYSA-N 0 0 422.554 4.686 50 0 HJAARN CSCc1ccc(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 ZINC000012777538 568955681 /nfs/dbraw/zinc/95/56/81/568955681.db2.gz FAHFBHVYASINBQ-UHFFFAOYSA-N 0 0 423.607 4.631 50 0 HJAARN CC(C)n1ncc2cc(C(=O)Nc3ncc(Cc4ccc(F)c(F)c4)s3)cnc21 ZINC000012777927 568955890 /nfs/dbraw/zinc/95/58/90/568955890.db2.gz QGJYRFVGBSHLPF-UHFFFAOYSA-N 0 0 413.453 4.590 50 0 HJAARN COc1ccc(Br)c(C(=O)N2CCS[C@H](c3ccccc3F)CC2)c1 ZINC000219078602 568955897 /nfs/dbraw/zinc/95/58/97/568955897.db2.gz LMKYJFSDSWYZBO-SFHVURJKSA-N 0 0 424.335 4.917 50 0 HJAARN C[C@H]1c2[nH]c3ccccc3c2CCN1S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000084718154 568957053 /nfs/dbraw/zinc/95/70/53/568957053.db2.gz HQRDCYHBKLRWLQ-NSHDSACASA-N 0 0 412.408 4.634 50 0 HJAARN COc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1 ZINC000012780132 568957061 /nfs/dbraw/zinc/95/70/61/568957061.db2.gz HXGFMAAMKIMOCF-ZDUSSCGKSA-N 0 0 416.934 4.537 50 0 HJAARN CCCCc1ccc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)cc1 ZINC000012789941 568962568 /nfs/dbraw/zinc/96/25/68/568962568.db2.gz GVTCBZSYKPTPBE-XLNRJJMWSA-N 0 0 413.481 4.913 50 0 HJAARN Cn1nc(C(=O)Nc2cc(-c3cccc(Cl)c3)no2)c2c1-c1ccccc1OC2 ZINC000015674403 568962841 /nfs/dbraw/zinc/96/28/41/568962841.db2.gz PXLZELURPHJPRT-UHFFFAOYSA-N 0 0 406.829 4.540 50 0 HJAARN CCCCN(Cc1ccco1)C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 ZINC000015675271 568963365 /nfs/dbraw/zinc/96/33/65/568963365.db2.gz SQAWRFANUBFYTD-UHFFFAOYSA-N 0 0 413.543 4.528 50 0 HJAARN CCOc1ccccc1CNC(=O)c1nc(-c2ccc(C)cc2)n2c1CCCCC2 ZINC000015677701 568966091 /nfs/dbraw/zinc/96/60/91/568966091.db2.gz BYVPWFYDVTUBEF-UHFFFAOYSA-N 0 0 403.526 4.914 50 0 HJAARN Cc1oc(-c2ccc(C(=O)NCc3cccnc3)cc2)nc1COc1ccc(C)cc1 ZINC000015682097 568968518 /nfs/dbraw/zinc/96/85/18/568968518.db2.gz PVCLVUMZHKKWGT-UHFFFAOYSA-N 0 0 413.477 4.862 50 0 HJAARN O=C(c1ccc(C2SCCS2)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000008015401 568968576 /nfs/dbraw/zinc/96/85/76/568968576.db2.gz MTZOFZNIZZZUDR-UHFFFAOYSA-N 0 0 404.988 4.781 50 0 HJAARN Cc1nc2cc(C(=O)Nc3ccc(N4CCCC4=O)cc3)ccc2n1-c1ccccc1 ZINC000008130490 568975106 /nfs/dbraw/zinc/97/51/06/568975106.db2.gz WEHXVQMHBSSXCF-UHFFFAOYSA-N 0 0 410.477 4.713 50 0 HJAARN Cc1ccc(NC(=O)[C@H](C)Oc2cccc(-c3nnc4n3CCCCC4)c2)cc1F ZINC000012798880 568977587 /nfs/dbraw/zinc/97/75/87/568977587.db2.gz FOGYQVINSBYYRI-INIZCTEOSA-N 0 0 408.477 4.525 50 0 HJAARN OCCCN(c1ncnc2onc(-c3ccc(F)cc3)c21)C12CC3CC(CC(C3)C1)C2 ZINC000015727146 568978328 /nfs/dbraw/zinc/97/83/28/568978328.db2.gz CAJLGNLPTYSJJH-UHFFFAOYSA-N 0 0 422.504 4.582 50 0 HJAARN O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N(Cc1ccc(F)cc1)C1CC1 ZINC000008157271 568978504 /nfs/dbraw/zinc/97/85/04/568978504.db2.gz NHDFYXQSIBMPRY-UHFFFAOYSA-N 0 0 412.468 4.878 50 0 HJAARN O=C(Nc1cccc(CO)c1)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000012809935 568979911 /nfs/dbraw/zinc/97/99/11/568979911.db2.gz PYHQJVMNRLLPGN-UHFFFAOYSA-N 0 0 417.896 4.996 50 0 HJAARN Cc1ccc(CNC(=O)[C@@H](C)Sc2nc(C(F)(F)F)nc3ccccc32)cc1 ZINC000008174461 568979990 /nfs/dbraw/zinc/97/99/90/568979990.db2.gz WYXPIHXVBOEBDR-CYBMUJFWSA-N 0 0 405.445 4.754 50 0 HJAARN O=C(Cn1ccc(C(F)(F)F)n1)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000008187744 568980698 /nfs/dbraw/zinc/98/06/98/568980698.db2.gz FKFPFEAHXRXDFE-UHFFFAOYSA-N 0 0 402.401 4.817 50 0 HJAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000008188927 568980890 /nfs/dbraw/zinc/98/08/90/568980890.db2.gz UWMIAVGZJCLBOH-UHFFFAOYSA-N 0 0 413.481 4.887 50 0 HJAARN CCc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000006046320 568981198 /nfs/dbraw/zinc/98/11/98/568981198.db2.gz QMILGEHVIFZWGN-SFHVURJKSA-N 0 0 403.404 4.534 50 0 HJAARN CN(C(=O)CSc1nnc(Nc2ccccc2)s1)[C@H]1CCCc2ccccc21 ZINC000008192406 568981617 /nfs/dbraw/zinc/98/16/17/568981617.db2.gz DIOOXTCDIJGIEB-SFHVURJKSA-N 0 0 410.568 4.910 50 0 HJAARN COc1cccc(NCc2nnc(SC[C@H]3CCCO3)n2C2CCCCC2)c1 ZINC000008193262 568981788 /nfs/dbraw/zinc/98/17/88/568981788.db2.gz UIYHGQKIPQJEBB-LJQANCHMSA-N 0 0 402.564 4.675 50 0 HJAARN Cc1cc(C(=O)CCC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c(C)s1 ZINC000008209833 568982725 /nfs/dbraw/zinc/98/27/25/568982725.db2.gz ZNZXOSJCWPVZBV-UHFFFAOYSA-N 0 0 422.554 4.951 50 0 HJAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)CSc2nc3ccccc3[nH]2)c1 ZINC000008216463 568982908 /nfs/dbraw/zinc/98/29/08/568982908.db2.gz BPPWXBWJAODYAU-UHFFFAOYSA-N 0 0 416.506 4.854 50 0 HJAARN CC(=O)c1ccc(NC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)cc1 ZINC000015733325 568983000 /nfs/dbraw/zinc/98/30/00/568983000.db2.gz SNNNMXRQXUDGRA-UHFFFAOYSA-N 0 0 413.433 4.624 50 0 HJAARN CCc1noc(NCc2ccc3c(c2)OCO3)c1C(=O)Nc1ccc(C)c(Cl)c1 ZINC000085391822 568984180 /nfs/dbraw/zinc/98/41/80/568984180.db2.gz WZLPMSOMADVHRZ-UHFFFAOYSA-N 0 0 413.861 4.792 50 0 HJAARN O=C(CSc1ncnc2sccc21)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000008262418 568985727 /nfs/dbraw/zinc/98/57/27/568985727.db2.gz OWHTYFAWWRPUGK-LJQANCHMSA-N 0 0 405.548 4.884 50 0 HJAARN O=C(c1ccc(Br)s1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008265037 568985933 /nfs/dbraw/zinc/98/59/33/568985933.db2.gz HZIOEQLBMSWALM-ZDUSSCGKSA-N 0 0 408.317 4.649 50 0 HJAARN CN(C(=O)CSc1nnc(-c2c[nH]c3ccccc32)o1)[C@@H]1CCCc2ccccc21 ZINC000008266628 568985972 /nfs/dbraw/zinc/98/59/72/568985972.db2.gz JCBODMVJBQMAIG-HXUWFJFHSA-N 0 0 418.522 4.846 50 0 HJAARN Cc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2F)s1 ZINC000008267190 568986046 /nfs/dbraw/zinc/98/60/46/568986046.db2.gz KLMXWSLZFNGWMZ-UHFFFAOYSA-N 0 0 410.495 4.870 50 0 HJAARN Cc1cc(CSc2ccccc2C(=O)Nc2cccc(N3CCCC3=O)c2)no1 ZINC000008267407 568986098 /nfs/dbraw/zinc/98/60/98/568986098.db2.gz KASRWBZPDGZURV-UHFFFAOYSA-N 0 0 407.495 4.654 50 0 HJAARN CC[C@@H](C(=O)Nc1ccccc1F)n1c2c(c(C)nn2-c2ccccc2)c(C)cc1=O ZINC000012001121 568987537 /nfs/dbraw/zinc/98/75/37/568987537.db2.gz SETMGUOBFQYRBM-FQEVSTJZSA-N 0 0 418.472 4.533 50 0 HJAARN Cc1ccc(-c2nnc(SCc3ccccc3C(N)=O)n2-c2ccccc2F)cc1 ZINC000085421263 568987606 /nfs/dbraw/zinc/98/76/06/568987606.db2.gz WJILOEOCMIEBTB-UHFFFAOYSA-N 0 0 418.497 4.773 50 0 HJAARN CCOCCCn1c(S[C@@H](C)C(=O)c2cc(C)ccc2C)nc2ccccc2c1=O ZINC000008283433 568987605 /nfs/dbraw/zinc/98/76/05/568987605.db2.gz XKCKEQKGJISOIJ-SFHVURJKSA-N 0 0 424.566 4.803 50 0 HJAARN CCOc1ccccc1-c1noc(CSc2nnc(C)n2-c2cccc(C)c2)n1 ZINC000012813683 568987690 /nfs/dbraw/zinc/98/76/90/568987690.db2.gz HCYZGBWBBDVKSE-UHFFFAOYSA-N 0 0 407.499 4.625 50 0 HJAARN C[C@@H]1Oc2c(cccc2C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)[C@@H]1C ZINC000008312286 568988921 /nfs/dbraw/zinc/98/89/21/568988921.db2.gz SDXXGNSWZADFCS-CVEARBPZSA-N 0 0 402.498 4.808 50 0 HJAARN C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)NC[C@H]1CCCO1 ZINC000008312071 568988974 /nfs/dbraw/zinc/98/89/74/568988974.db2.gz AIJWXHLVZOQZDO-VQIMIIECSA-N 0 0 408.523 4.784 50 0 HJAARN CCOC(=O)c1c(C)[nH]c(C)c1-c1csc(CC(=O)Nc2ccc(CC)cc2)n1 ZINC000012816342 568989863 /nfs/dbraw/zinc/98/98/63/568989863.db2.gz FQMDBIHYGAZCSL-UHFFFAOYSA-N 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/nfs/dbraw/zinc/01/59/30/569015930.db2.gz RRHHCGQWDXHTIU-UHFFFAOYSA-N 0 0 412.530 4.792 50 0 HJAARN COc1ccc(CCC(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)cc1 ZINC000015863690 569016221 /nfs/dbraw/zinc/01/62/21/569016221.db2.gz GFXOZMZSGMVCCT-UHFFFAOYSA-N 0 0 413.521 4.938 50 0 HJAARN O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)c2cnn(-c3nc4ccccc4s3)c2N1 ZINC000015867944 569017110 /nfs/dbraw/zinc/01/71/10/569017110.db2.gz PVJHTMUKDOWPGW-ZDUSSCGKSA-N 0 0 414.412 4.975 50 0 HJAARN Cc1cccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)c1 ZINC000015880693 569018029 /nfs/dbraw/zinc/01/80/29/569018029.db2.gz YGFBDJMWLXWNPE-UHFFFAOYSA-N 0 0 400.891 4.930 50 0 HJAARN COc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2c(C)cccc2C)cs1 ZINC000015880763 569018035 /nfs/dbraw/zinc/01/80/35/569018035.db2.gz OKVBCPAEFXDBFN-UHFFFAOYSA-N 0 0 410.499 4.594 50 0 HJAARN C[C@@H](NC(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)c1ccccc1 ZINC000015880622 569018294 /nfs/dbraw/zinc/01/82/94/569018294.db2.gz GUMMBRNIMOHMEC-CYBMUJFWSA-N 0 0 414.918 4.860 50 0 HJAARN CCOc1ccc(NC(=O)Cn2c(-c3nnc(C(C)C)o3)cc3ccccc32)cc1 ZINC000015881506 569018543 /nfs/dbraw/zinc/01/85/43/569018543.db2.gz SJYOVPIHLADINL-UHFFFAOYSA-N 0 0 404.470 4.852 50 0 HJAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1cc2cccnc2n(Cc2ccccc2)c1=O ZINC000015883307 569019307 /nfs/dbraw/zinc/01/93/07/569019307.db2.gz GXZUCZOJVRVUEI-UHFFFAOYSA-N 0 0 423.394 4.716 50 0 HJAARN CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000012887609 569019661 /nfs/dbraw/zinc/01/96/61/569019661.db2.gz RIBCMMSGQSEOTM-UHFFFAOYSA-N 0 0 407.558 4.887 50 0 HJAARN O=C1CCCN1c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000012902524 569020649 /nfs/dbraw/zinc/02/06/49/569020649.db2.gz INIGVEVVJRYIKX-UHFFFAOYSA-N 0 0 419.717 4.574 50 0 HJAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000012918083 569022702 /nfs/dbraw/zinc/02/27/02/569022702.db2.gz VPLATORUYIVASO-UHFFFAOYSA-N 0 0 411.461 4.622 50 0 HJAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(C)cc3)C2)c2ccccc12 ZINC000012918669 569022748 /nfs/dbraw/zinc/02/27/48/569022748.db2.gz FYJIKZNQDBZUGF-SFHVURJKSA-N 0 0 402.494 4.648 50 0 HJAARN CCCc1noc(CSc2nc3ccccc3c(=O)n2[C@H](C)c2ccccc2)n1 ZINC000012920585 569023003 /nfs/dbraw/zinc/02/30/03/569023003.db2.gz NXUBRKJQHIZRDC-OAHLLOKOSA-N 0 0 406.511 4.634 50 0 HJAARN O=C1CCCN1c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1Cl ZINC000012931249 569024666 /nfs/dbraw/zinc/02/46/66/569024666.db2.gz ZRZCCFNPPYBYKL-UHFFFAOYSA-N 0 0 419.717 4.574 50 0 HJAARN O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1cc2ccccc2c(=O)[nH]1 ZINC000012933022 569025219 /nfs/dbraw/zinc/02/52/19/569025219.db2.gz AOWQZPSWNKDTCA-UHFFFAOYSA-N 0 0 401.491 4.783 50 0 HJAARN COc1ccccc1-n1cnnc1S[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000012939887 569028248 /nfs/dbraw/zinc/02/82/48/569028248.db2.gz IBUFRMNGQLOGLL-NRFANRHFSA-N 0 0 416.506 4.748 50 0 HJAARN CCOC(=O)c1cc(OCc2csc(-c3ccccc3)n2)cc(C(=O)OCC)c1 ZINC000012940559 569028611 /nfs/dbraw/zinc/02/86/11/569028611.db2.gz RWSKDKMGAZVYOF-UHFFFAOYSA-N 0 0 411.479 4.743 50 0 HJAARN CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000012944939 569028988 /nfs/dbraw/zinc/02/89/88/569028988.db2.gz HCLCJDMDCVZUNJ-JOCHJYFZSA-N 0 0 401.510 4.739 50 0 HJAARN Cc1ccc2c(Cl)cc(Cl)c(OCc3cc(=O)n4c(C)cccc4n3)c2n1 ZINC000016183369 569029725 /nfs/dbraw/zinc/02/97/25/569029725.db2.gz GIURPLPIAOWPRR-UHFFFAOYSA-N 0 0 400.265 4.745 50 0 HJAARN O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1)c1cccs1 ZINC000016309101 569031233 /nfs/dbraw/zinc/03/12/33/569031233.db2.gz LXMRADSGASRLML-IBGZPJMESA-N 0 0 416.506 4.854 50 0 HJAARN CCOc1cc(/C=C2\c3ccccc3N(C)C2=O)cc(Br)c1OCC ZINC000006948878 569031365 /nfs/dbraw/zinc/03/13/65/569031365.db2.gz TZAOACQANDWCGP-XNTDXEJSSA-N 0 0 402.288 4.764 50 0 HJAARN Cc1cc(OCC(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)ccc1Cl ZINC000006202789 569032500 /nfs/dbraw/zinc/03/25/00/569032500.db2.gz GHWOLWXFCIDPBE-INIZCTEOSA-N 0 0 416.930 4.849 50 0 HJAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 ZINC000575614256 569032763 /nfs/dbraw/zinc/03/27/63/569032763.db2.gz XVQPWRMDCJILSV-NRFANRHFSA-N 0 0 421.928 4.722 50 0 HJAARN CC(C)c1nc2cc(NS(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)ccc2o1 ZINC000063911927 569033823 /nfs/dbraw/zinc/03/38/23/569033823.db2.gz LKDSOQNLAVUTNL-UHFFFAOYSA-N 0 0 402.369 4.910 50 0 HJAARN Cc1ccc(CN2C(=O)COc3ccc(C(=O)Nc4cc(C)cc(C)c4)cc32)cc1 ZINC000035377501 569034486 /nfs/dbraw/zinc/03/44/86/569034486.db2.gz DLLRPCDZHBDUCL-UHFFFAOYSA-N 0 0 400.478 4.790 50 0 HJAARN CCCN(C)c1ccc(C(=O)N[C@H](C)c2ccc(NC(=O)N(CC)CC)cc2)cc1 ZINC000063936370 569034587 /nfs/dbraw/zinc/03/45/87/569034587.db2.gz AAJXOXBMWRLEOZ-GOSISDBHSA-N 0 0 410.562 4.898 50 0 HJAARN Cc1cccc(-c2ccc(N3CCC(C(=O)Nc4ccc(Cl)cc4)CC3)nn2)c1 ZINC000035398412 569035164 /nfs/dbraw/zinc/03/51/64/569035164.db2.gz ABBAJHNPOKNYJV-UHFFFAOYSA-N 0 0 406.917 4.961 50 0 HJAARN COc1ccc(Cn2cnc3c4ccccc4n(Cc4cccc(F)c4)c3c2=O)cc1 ZINC000035400208 569035452 /nfs/dbraw/zinc/03/54/52/569035452.db2.gz SJWRKPMXWYDFFC-UHFFFAOYSA-N 0 0 413.452 4.596 50 0 HJAARN Cc1ccccc1-n1c(SCCOc2ccccc2F)nnc1-c1cccnc1 ZINC000006257009 569035512 /nfs/dbraw/zinc/03/55/12/569035512.db2.gz PLADSZXLIPQUKT-UHFFFAOYSA-N 0 0 406.486 4.948 50 0 HJAARN Cc1ccc(Nc2nc(C(=O)Nc3ccc4c(c3)OCCO4)nc3ccccc32)cc1 ZINC000035429757 569036848 /nfs/dbraw/zinc/03/68/48/569036848.db2.gz SHMYDYRVWYOYQT-UHFFFAOYSA-N 0 0 412.449 4.705 50 0 HJAARN COc1cc(NC(=O)c2nc3ccccc3c(Nc3ccccc3)n2)cc(OC)c1 ZINC000035429877 569036889 /nfs/dbraw/zinc/03/68/89/569036889.db2.gz RRQNSQRSPRDXNY-UHFFFAOYSA-N 0 0 400.438 4.643 50 0 HJAARN CCOc1ccc(NC(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc1 ZINC000035446681 569037267 /nfs/dbraw/zinc/03/72/67/569037267.db2.gz LKLTWVFGXHDSEX-UHFFFAOYSA-N 0 0 402.498 4.825 50 0 biogenic HJAARN O=C(NCc1nccnc1-c1ccsc1)c1cccc(OCc2ccccc2)c1 ZINC000575617986 569037581 /nfs/dbraw/zinc/03/75/81/569037581.db2.gz COTMXAAVLBYXTP-UHFFFAOYSA-N 0 0 401.491 4.714 50 0 HJAARN COc1ccc(Cc2nc(-c3ccc4c(c3)ncn4C3CCCC3)no2)cc1OC ZINC000035453710 569037832 /nfs/dbraw/zinc/03/78/32/569037832.db2.gz RLQOVSWUSFTXCG-UHFFFAOYSA-N 0 0 404.470 4.809 50 0 HJAARN O=C(c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000035476356 569038342 /nfs/dbraw/zinc/03/83/42/569038342.db2.gz DUFNEDVMODAIPQ-QGZVFWFLSA-N 0 0 418.394 4.742 50 0 HJAARN C[C@@H]1CCC[C@H](NC(=O)CN2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc32)[C@H]1C ZINC000226817689 569039954 /nfs/dbraw/zinc/03/99/54/569039954.db2.gz IMIPXVACLGOPIA-ZAWQZKQPSA-N 0 0 415.537 4.654 50 0 HJAARN Cc1cc(Nc2nc(C(=O)N3CCCC3)cc3occc32)ccc1Br ZINC000035503323 569040522 /nfs/dbraw/zinc/04/05/22/569040522.db2.gz NIHVJUXMIDAUMK-UHFFFAOYSA-N 0 0 400.276 4.878 50 0 HJAARN COc1ccc(O[C@@H](C)C(=O)NCc2sc(-c3ccccc3Cl)nc2C)cc1 ZINC000090593143 569041527 /nfs/dbraw/zinc/04/15/27/569041527.db2.gz GKTMYRAAZNEGEE-AWEZNQCLSA-N 0 0 416.930 4.864 50 0 HJAARN COc1cc(C)ccc1O[C@H](C)C(=O)NCc1sc(-c2cccs2)nc1C ZINC000090592689 569041546 /nfs/dbraw/zinc/04/15/46/569041546.db2.gz YXJPTUUKVSCCLR-CQSZACIVSA-N 0 0 402.541 4.581 50 0 HJAARN Cc1ccc(Oc2ccccc2NC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc1 ZINC000012977580 569042357 /nfs/dbraw/zinc/04/23/57/569042357.db2.gz HSCVIBALOHRJQC-SFHVURJKSA-N 0 0 404.466 4.871 50 0 HJAARN Cc1cccc(C2N=NC(=S)N2CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000012979843 569042698 /nfs/dbraw/zinc/04/26/98/569042698.db2.gz PDBGKLAUYOBFFS-LBPRGKRZSA-N 0 0 421.353 4.726 50 0 HJAARN COc1cc(OC)c(NC(=O)c2c(C)onc2-c2ccc(F)cc2F)cc1Cl ZINC000035536180 569043565 /nfs/dbraw/zinc/04/35/65/569043565.db2.gz TZRKEPHMJCRUKU-UHFFFAOYSA-N 0 0 408.788 4.851 50 0 HJAARN CC(C)c1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000035527840 569043927 /nfs/dbraw/zinc/04/39/27/569043927.db2.gz VYBHJSOLQHQTCX-IBGZPJMESA-N 0 0 415.490 4.525 50 0 HJAARN CCc1ccc(CNC(=O)CC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000035528898 569044133 /nfs/dbraw/zinc/04/41/33/569044133.db2.gz NRPYWBJQMKAIMQ-UHFFFAOYSA-N 0 0 413.949 4.853 50 0 HJAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1nnc(COc2ccc(F)cc2)o1 ZINC000035529353 569044191 /nfs/dbraw/zinc/04/41/91/569044191.db2.gz QEKXDJQPNFZQFT-FHLIZLRMSA-N 0 0 422.522 4.884 50 0 HJAARN CCc1nc(-c2ccc(N3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)cc2)no1 ZINC000035552712 569044606 /nfs/dbraw/zinc/04/46/06/569044606.db2.gz IVEDHQAJBDZQLR-UHFFFAOYSA-N 0 0 418.541 4.559 50 0 HJAARN CC(=O)Nc1ccc(CC(=O)Nc2cc(-c3noc(C4CCC4)n3)sc2C)cc1 ZINC000035555010 569044617 /nfs/dbraw/zinc/04/46/17/569044617.db2.gz KHJCGRLSRATSLC-UHFFFAOYSA-N 0 0 410.499 4.514 50 0 HJAARN Cc1cccc(NC(=O)CSc2nnc(NC(=O)Nc3cccs3)s2)c1C ZINC000035590112 569045414 /nfs/dbraw/zinc/04/54/14/569045414.db2.gz OKHCNSKLCWVILJ-UHFFFAOYSA-N 0 0 419.557 4.591 50 0 HJAARN Cn1ccnc1SCC(=O)N(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000006369336 569046059 /nfs/dbraw/zinc/04/60/59/569046059.db2.gz JBYQZEZPEIQUGC-UHFFFAOYSA-N 0 0 413.562 4.649 50 0 HJAARN COc1ccccc1NC1(c2nnnn2-c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000035622243 569046557 /nfs/dbraw/zinc/04/65/57/569046557.db2.gz MXEVRPMFYWZLFU-UHFFFAOYSA-N 0 0 417.435 4.961 50 0 HJAARN COCCn1c(S[C@@H](C)c2nc(C(C)C)no2)nnc1-c1ccc(Cl)cc1 ZINC000012982490 569047308 /nfs/dbraw/zinc/04/73/08/569047308.db2.gz HNIMGIDBQPUHSK-LBPRGKRZSA-N 0 0 407.927 4.605 50 0 HJAARN CC(=O)c1cccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)c1 ZINC000012995708 569048262 /nfs/dbraw/zinc/04/82/62/569048262.db2.gz IFMSHOXMUUVAIX-UHFFFAOYSA-N 0 0 400.887 4.759 50 0 HJAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2cccc(Cl)c2)cc1 ZINC000012999619 569049165 /nfs/dbraw/zinc/04/91/65/569049165.db2.gz BCJZNDYIXFGVRK-UHFFFAOYSA-N 0 0 400.935 4.618 50 0 HJAARN O=S(=O)(c1ccccc1F)N(Cc1coc(-c2ccccc2)n1)c1ccccc1 ZINC000013002894 569049313 /nfs/dbraw/zinc/04/93/13/569049313.db2.gz AHZVQNPKSNLFNV-UHFFFAOYSA-N 0 0 408.454 4.876 50 0 HJAARN COc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)c1 ZINC000013003428 569049337 /nfs/dbraw/zinc/04/93/37/569049337.db2.gz NVCLLALCOYBXJB-UHFFFAOYSA-N 0 0 404.344 4.812 50 0 HJAARN C[C@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1cccc2ccccc21 ZINC000013006524 569049747 /nfs/dbraw/zinc/04/97/47/569049747.db2.gz SGDWFSRGZPTAKM-SFHVURJKSA-N 0 0 401.510 4.961 50 0 HJAARN CCCCn1c(=O)c2c(C)c(C)sc2nc1SCc1nnsc1Cl ZINC000013012013 569050492 /nfs/dbraw/zinc/05/04/92/569050492.db2.gz CHQMZCUDZYJFMN-UHFFFAOYSA-N 0 0 400.982 4.672 50 0 HJAARN CC(C)(C)c1ccc(C(=O)C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)cc1 ZINC000064291657 569050574 /nfs/dbraw/zinc/05/05/74/569050574.db2.gz SAAJWTPNZUHFBI-UHFFFAOYSA-N 0 0 413.464 4.567 50 0 HJAARN Cc1ccc(NC(=O)CCc2ccco2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000013022204 569051233 /nfs/dbraw/zinc/05/12/33/569051233.db2.gz AZIMWVKYTJYELE-UHFFFAOYSA-N 0 0 418.902 4.614 50 0 HJAARN CCCCCNC(=O)[C@H]1CS[C@@H](c2ccc(F)cc2)N1C(=O)c1ccc(C)cc1 ZINC000035703294 569052712 /nfs/dbraw/zinc/05/27/12/569052712.db2.gz YFMRAYTZGLXTHN-OFNKIYASSA-N 0 0 414.546 4.697 50 0 HJAARN Clc1cccc(OCc2cccc(-c3nc4c5cnnc-5ncn4[nH]3)c2)c1Cl ZINC000006448092 569052997 /nfs/dbraw/zinc/05/29/97/569052997.db2.gz GSTLTUDXSFFICP-UHFFFAOYSA-N 0 0 411.252 4.553 50 0 HJAARN O=C1[C@H]2[C@@H](C(=O)N1c1cccc(Cl)c1)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000239159660 569053978 /nfs/dbraw/zinc/05/39/78/569053978.db2.gz MOHSVONVIGPRDB-NEWJYFPISA-N 0 0 413.904 5.583 50 0 HJAARN COc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000245231373 569055266 /nfs/dbraw/zinc/05/52/66/569055266.db2.gz CIZSTSGGCAXLQN-WIHVIGOGSA-N 0 0 409.485 4.938 50 0 HJAARN Cc1ccc(NC(=O)CN2CC[C@]3(O)CCCC[C@H]3[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000245312539 569055810 /nfs/dbraw/zinc/05/58/10/569055810.db2.gz VRUITDXLWLLLDF-FTBPSBKWSA-N 0 0 410.533 4.749 50 0 HJAARN Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4Cl)[C@H]3C2=O)c1 ZINC000245325616 569055865 /nfs/dbraw/zinc/05/58/65/569055865.db2.gz GLTQFBFWISJYOZ-YPAWHYETSA-N 0 0 418.880 4.700 50 0 HJAARN COc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000001850459 569056544 /nfs/dbraw/zinc/05/65/44/569056544.db2.gz JDDPFIMRFNYSGI-RUZDIDTESA-N 0 0 417.461 4.581 50 0 HJAARN COc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000001850455 569056553 /nfs/dbraw/zinc/05/65/53/569056553.db2.gz JDDPFIMRFNYSGI-VWLOTQADSA-N 0 0 417.461 4.581 50 0 HJAARN CCCCNC(=O)N(CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1)CC(C)C ZINC000035766441 569058108 /nfs/dbraw/zinc/05/81/08/569058108.db2.gz WXWVLBDGCMTGRO-UHFFFAOYSA-N 0 0 413.562 4.585 50 0 HJAARN CCCCCC(=O)N(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)C1CC1 ZINC000035767126 569058110 /nfs/dbraw/zinc/05/81/10/569058110.db2.gz HITGISKJQUSMIR-UHFFFAOYSA-N 0 0 400.494 4.519 50 0 HJAARN CCOC(=O)c1c(NC(=O)COc2cccc(C)c2C)sc2c1CC[C@H](C)C2 ZINC000001939965 569059786 /nfs/dbraw/zinc/05/97/86/569059786.db2.gz YQOGLYUKEXAYKC-ZDUSSCGKSA-N 0 0 401.528 4.684 50 0 HJAARN COc1cccc(C(=O)COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2)c1 ZINC000001119563 569060279 /nfs/dbraw/zinc/06/02/79/569060279.db2.gz PZEQQXWOZXGRGT-UHFFFAOYSA-N 0 0 414.457 4.963 50 0 aggregator,biogenic HJAARN Cc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)NCCc2ccccc2)cc1 ZINC000001994321 569060327 /nfs/dbraw/zinc/06/03/27/569060327.db2.gz FYDWBSOSKPNXCE-UHFFFAOYSA-N 0 0 413.473 4.506 50 0 HJAARN CCOC(=O)CCc1c(C)c2ccc(OCc3ccccc3Cl)cc2oc1=O ZINC000004046266 569060752 /nfs/dbraw/zinc/06/07/52/569060752.db2.gz GOZNMJUJJBROGV-UHFFFAOYSA-N 0 0 400.858 4.830 50 0 biogenic HJAARN O=C(CN1c2ccccc2S[C@@H](c2ccccc2)CC1=O)NCCc1ccccc1 ZINC000006495888 569061348 /nfs/dbraw/zinc/06/13/48/569061348.db2.gz MXRQDTCHYYMUHE-HSZRJFAPSA-N 0 0 416.546 4.616 50 0 HJAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cc(F)c(F)cc1Cl ZINC000006509509 569061931 /nfs/dbraw/zinc/06/19/31/569061931.db2.gz PBQPUCLIJYDWIR-UHFFFAOYSA-N 0 0 402.832 4.855 50 0 HJAARN Cc1ccccc1Oc1nccnc1N1CCC[C@@H](C(=O)Nc2cccc(F)c2)C1 ZINC000064452509 569062990 /nfs/dbraw/zinc/06/29/90/569062990.db2.gz QUDFLCQTBBVXKS-QGZVFWFLSA-N 0 0 406.461 4.572 50 0 HJAARN Cc1c(Br)c(C(F)F)nn1[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000006526956 569063167 /nfs/dbraw/zinc/06/31/67/569063167.db2.gz CIRFXZOLAHQFJH-VALILCMLSA-N 0 0 416.310 4.538 50 0 HJAARN Cc1cc(C(=O)Nc2sc3c(c2C(=O)N2CCCCC2)CC[C@@H](C)C3)c(C)o1 ZINC000006527759 569063212 /nfs/dbraw/zinc/06/32/12/569063212.db2.gz HOCSLODJBTZXDN-CYBMUJFWSA-N 0 0 400.544 4.961 50 0 HJAARN CC(C)NC(=O)Nc1c(N)n(-c2ccc(C(F)(F)F)cc2)nc1-c1ccccc1 ZINC000035868108 569063430 /nfs/dbraw/zinc/06/34/30/569063430.db2.gz WWYMSRGHNQJTCJ-UHFFFAOYSA-N 0 0 403.408 4.670 50 0 HJAARN Cc1cccc(NC(=O)N2CCCN(c3nc4ccccc4n4cccc34)CC2)c1C ZINC000064473186 569063691 /nfs/dbraw/zinc/06/36/91/569063691.db2.gz LLCFFNXNGBCACK-UHFFFAOYSA-N 0 0 413.525 4.849 50 0 HJAARN C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000006531992 569064156 /nfs/dbraw/zinc/06/41/56/569064156.db2.gz XHPWRHFCTNCPAL-DLBZAZTESA-N 0 0 418.566 4.662 50 0 HJAARN CC[C@H]1Oc2ccc(NC(=O)CC(C)(C)C)cc2CN(Cc2ccc(F)cc2)C1=O ZINC000035883979 569064572 /nfs/dbraw/zinc/06/45/72/569064572.db2.gz RLEPJIRJMBMPQY-HXUWFJFHSA-N 0 0 412.505 4.900 50 0 HJAARN CC[C@@H]1Oc2ccc(NC(=O)c3cccs3)cc2CN(Cc2ccc(F)cc2)C1=O ZINC000035883970 569064597 /nfs/dbraw/zinc/06/45/97/569064597.db2.gz SGJMUPFYJLJFJC-IBGZPJMESA-N 0 0 424.497 4.839 50 0 HJAARN O=C(Nc1ccc2c(c1)CN([C@H]1CCCc3ccccc31)C(=O)CO2)c1cccs1 ZINC000035885703 569064599 /nfs/dbraw/zinc/06/45/99/569064599.db2.gz TXNBSISCBQUCKD-FQEVSTJZSA-N 0 0 418.518 4.799 50 0 HJAARN O=C(Nc1ccc2c(c1)CN(Cc1ccccc1F)C(=O)CO2)c1ccc(Cl)cc1 ZINC000035886036 569064617 /nfs/dbraw/zinc/06/46/17/569064617.db2.gz JDPZQPKDWIVMKT-UHFFFAOYSA-N 0 0 424.859 4.653 50 0 HJAARN CC[C@H]1Oc2ccc(NC(=O)c3cccc(F)c3)cc2CN(C2CCCCC2)C1=O ZINC000035883627 569064635 /nfs/dbraw/zinc/06/46/35/569064635.db2.gz OPIXKMNSBVWALW-OAQYLSRUSA-N 0 0 410.489 4.910 50 0 HJAARN C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000006549780 569064895 /nfs/dbraw/zinc/06/48/95/569064895.db2.gz PQPLQQUUAPCSMH-HUUCEWRRSA-N 0 0 410.518 4.642 50 0 HJAARN CCOC(=O)C1CCN(c2nc([C@H](C)CC)nc3sc4c(c32)CCCC4)CC1 ZINC000035892709 569065020 /nfs/dbraw/zinc/06/50/20/569065020.db2.gz VLELDEACRVPVDZ-CQSZACIVSA-N 0 0 401.576 4.863 50 0 HJAARN CCOC(=O)[C@H]1CCCN(c2nc(C(C)C)nc3sc4c(c32)CC[C@@H](C)C4)C1 ZINC000035892803 569065068 /nfs/dbraw/zinc/06/50/68/569065068.db2.gz SIQKPEFOTFERHT-CABCVRRESA-N 0 0 401.576 4.719 50 0 HJAARN O=C(C1CCCC1)N1CCN(c2nc(C3CC3)nc3sc4c(c32)CCCCC4)CC1 ZINC000035892196 569065136 /nfs/dbraw/zinc/06/51/36/569065136.db2.gz HKKLHQBHBXMWNH-UHFFFAOYSA-N 0 0 424.614 4.676 50 0 HJAARN CCOc1cccc2c1cc(C(=O)NCc1ccco1)n2Cc1cccc(OC)c1 ZINC000035927946 569066478 /nfs/dbraw/zinc/06/64/78/569066478.db2.gz LHTJLILFZONSRQ-UHFFFAOYSA-N 0 0 404.466 4.620 50 0 HJAARN CC(=O)c1ccc(O[C@H](C)C(=O)N(C2=N[C@H](C)CS2)c2ccc(Cl)cc2)cc1 ZINC000006578551 569066900 /nfs/dbraw/zinc/06/69/00/569066900.db2.gz RMJPBKBWSPLBAK-UKRRQHHQSA-N 0 0 416.930 4.834 50 0 HJAARN O=C(COc1ccc(OCc2ccccc2)cc1)Nc1nc(-c2cccnc2)cs1 ZINC000006578710 569066978 /nfs/dbraw/zinc/06/69/78/569066978.db2.gz UPXDSPBCNRAPKI-UHFFFAOYSA-N 0 0 417.490 4.802 50 0 HJAARN Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(Cl)c3cccnc23)c1 ZINC000024458792 569067025 /nfs/dbraw/zinc/06/70/25/569067025.db2.gz CCGGSZJISSVZSU-UHFFFAOYSA-N 0 0 409.902 4.756 50 0 HJAARN COc1ccc([C@H]2OC([C@H](C)Nc3cccc4ccccc43)=NN2C(C)=O)c(OC)c1 ZINC000064567440 569067364 /nfs/dbraw/zinc/06/73/64/569067364.db2.gz ZFNWFDGVIMFFFI-IZHWHUGBSA-N 0 0 419.481 4.548 50 0 HJAARN COc1cccc(CNC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)c1 ZINC000064567893 569067481 /nfs/dbraw/zinc/06/74/81/569067481.db2.gz ZGCTUPVFYXQIQH-UHFFFAOYSA-N 0 0 411.914 4.987 50 0 HJAARN COC(=O)c1ccc(Nc2cc(C(=O)N3CCCCC3)nc3ccc(C)cc32)cc1 ZINC000064568380 569067533 /nfs/dbraw/zinc/06/75/33/569067533.db2.gz BJDKMSLACWSEEO-UHFFFAOYSA-N 0 0 403.482 4.700 50 0 HJAARN COc1ccc(OC)c(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccccc32)c1 ZINC000064568415 569067573 /nfs/dbraw/zinc/06/75/73/569067573.db2.gz SJEXSHCAKAQUNZ-UHFFFAOYSA-N 0 0 405.498 4.868 50 0 HJAARN CC(C)n1nc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c2ccccc2c1=O ZINC000006587441 569067814 /nfs/dbraw/zinc/06/78/14/569067814.db2.gz BWYJUAZXYWBJTJ-UHFFFAOYSA-N 0 0 413.477 4.809 50 0 HJAARN CCCCNc1nnc(SCC(=O)c2cc(C)n(-c3nccs3)c2C)s1 ZINC000006587391 569067837 /nfs/dbraw/zinc/06/78/37/569067837.db2.gz KFIVEPCQKNMNJC-UHFFFAOYSA-N 0 0 407.590 4.589 50 0 HJAARN O=C(COC(=O)c1ccc(-n2cccc2)cc1)Nc1ccccc1Cc1ccccc1 ZINC000006589317 569068121 /nfs/dbraw/zinc/06/81/21/569068121.db2.gz MFZABTCFXZFOJI-UHFFFAOYSA-N 0 0 410.473 4.864 50 0 HJAARN O=C(NCc1ccc(F)cc1)Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1 ZINC000064611068 569071346 /nfs/dbraw/zinc/07/13/46/569071346.db2.gz NLPZKTNGRIKZNS-UHFFFAOYSA-N 0 0 405.477 4.595 50 0 HJAARN COc1ccc(NC(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)cc1F ZINC000064611076 569071370 /nfs/dbraw/zinc/07/13/70/569071370.db2.gz WAYIKHHCIQCFHN-UHFFFAOYSA-N 0 0 421.476 4.926 50 0 HJAARN Cc1cc(CN(C)C(=O)CSc2cn(Cc3ccccc3)c3ccccc23)on1 ZINC000426530416 569073327 /nfs/dbraw/zinc/07/33/27/569073327.db2.gz KZKBQRHKBNDUKK-UHFFFAOYSA-N 0 0 405.523 4.737 50 0 HJAARN CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)OCC(=O)c1ccc[nH]1 ZINC000006610073 569074106 /nfs/dbraw/zinc/07/41/06/569074106.db2.gz OYEBWQQGHLDDIA-INIZCTEOSA-N 0 0 402.800 4.550 50 0 HJAARN Cc1noc(C)c1CN1CCc2c(C(=O)N(CCC(C)C)C3CC3)csc2C1 ZINC000426701460 569073874 /nfs/dbraw/zinc/07/38/74/569073874.db2.gz QEKOTLDJMFDQNQ-UHFFFAOYSA-N 0 0 401.576 4.562 50 0 HJAARN CCN(CC)C(=O)c1cccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1 ZINC000006623206 569075117 /nfs/dbraw/zinc/07/51/17/569075117.db2.gz ZHZJPOBDGNOTHH-UHFFFAOYSA-N 0 0 402.560 4.575 50 0 HJAARN COCCn1c(C)cc(C(=O)CSc2nnc(Nc3cccc(C)c3)s2)c1C ZINC000006623600 569075142 /nfs/dbraw/zinc/07/51/42/569075142.db2.gz GVJUUXZOYRBPSB-UHFFFAOYSA-N 0 0 416.572 4.630 50 0 HJAARN Cc1coc2cc3oc(=O)c(CC(=O)NCCc4c[nH]c5ccccc45)c(C)c3cc12 ZINC000006623695 569075271 /nfs/dbraw/zinc/07/52/71/569075271.db2.gz RCGBIRQMRDMOSS-UHFFFAOYSA-N 0 0 414.461 4.539 50 0 biogenic HJAARN CSc1ccc(CN(C)C(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000006627171 569076044 /nfs/dbraw/zinc/07/60/44/569076044.db2.gz TTZSQKGBVDEWFL-UHFFFAOYSA-N 0 0 405.519 4.677 50 0 HJAARN CCCN(C(=O)c1cc2c(nc3c(C)cccn3c2=O)s1)c1ccc(OCC)cc1 ZINC000006636144 569076458 /nfs/dbraw/zinc/07/64/58/569076458.db2.gz FOJOTLVRRHSPTO-UHFFFAOYSA-N 0 0 421.522 4.673 50 0 HJAARN CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)N(C)C1=S ZINC000006638208 569077210 /nfs/dbraw/zinc/07/72/10/569077210.db2.gz STOMBCZMHHMEGF-JYRVWZFOSA-N 0 0 400.809 4.648 50 0 HJAARN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1nc2c(s1)CCCC2 ZINC000006639215 569077702 /nfs/dbraw/zinc/07/77/02/569077702.db2.gz UCSNXSKCKGILRG-LJQANCHMSA-N 0 0 405.523 4.522 50 0 HJAARN COc1ccc(/C=C/C(=O)N2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000006642424 569078266 /nfs/dbraw/zinc/07/82/66/569078266.db2.gz XAXWXKBSOOOXDQ-PKDKOUGUSA-N 0 0 421.537 4.612 50 0 biogenic HJAARN COc1ccc(/C=C/C(=O)N2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccccc2OC)cc1 ZINC000006642418 569078307 /nfs/dbraw/zinc/07/83/07/569078307.db2.gz GRPDIUHLLNROLW-PLISTFFZSA-N 0 0 421.537 4.612 50 0 biogenic HJAARN O=C(C[C@H]1COc2cc(F)ccc2N1Cc1ccccc1)NCc1ccccc1Cl ZINC000064663449 569079589 /nfs/dbraw/zinc/07/95/89/569079589.db2.gz WEINTNJZCLOGMO-FQEVSTJZSA-N 0 0 424.903 4.953 50 0 HJAARN Nc1c(-c2nc(-c3cccc(Br)c3)cs2)nnn1-c1ccc(F)cc1 ZINC000064664289 569079871 /nfs/dbraw/zinc/07/98/71/569079871.db2.gz HURZBXDADPLHDT-UHFFFAOYSA-N 0 0 416.279 4.542 50 0 HJAARN Cc1ccc(-c2csc(-c3nnn(-c4ccccc4Br)c3N)n2)cc1 ZINC000064664471 569079956 /nfs/dbraw/zinc/07/99/56/569079956.db2.gz MWSAMXMHOFETKV-UHFFFAOYSA-N 0 0 412.316 4.711 50 0 HJAARN CN(CCOc1ccc(Br)cc1)C(=O)COc1ccc2ccccc2c1 ZINC000006649675 569080146 /nfs/dbraw/zinc/08/01/46/569080146.db2.gz FYLWBUIWIVBLAD-UHFFFAOYSA-N 0 0 414.299 4.519 50 0 HJAARN O=C(Nc1ccccc1N1CCCC1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000006647767 569080721 /nfs/dbraw/zinc/08/07/21/569080721.db2.gz OHNKVVKWMTYLEQ-XMMPIXPASA-N 0 0 412.489 4.993 50 0 HJAARN CCc1nc(-c2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2)cs1 ZINC000064677433 569081619 /nfs/dbraw/zinc/08/16/19/569081619.db2.gz RFGPSRRDJNNUMO-UHFFFAOYSA-N 0 0 411.958 4.988 50 0 HJAARN CCCC[C@@H](C)Cn1c(SCC(=O)NC2CC2)nnc1-c1ccc(Cl)cc1 ZINC000006652098 569081737 /nfs/dbraw/zinc/08/17/37/569081737.db2.gz FPDHUKFCORWSIX-CQSZACIVSA-N 0 0 406.983 4.796 50 0 HJAARN O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCC[C@@H]1c1cccs1 ZINC000006654199 569082755 /nfs/dbraw/zinc/08/27/55/569082755.db2.gz CGPYTSCNBHSOTD-LJQANCHMSA-N 0 0 400.507 4.973 50 0 HJAARN Cc1ccc2c(CN(C)CC(=O)Nc3c(Cl)cccc3Cl)cc(=O)oc2c1C ZINC000006654427 569082893 /nfs/dbraw/zinc/08/28/93/569082893.db2.gz JMCKADYZKPOQPY-UHFFFAOYSA-N 0 0 419.308 4.787 50 0 HJAARN O=C(Nc1ccc2c(c1)OCCCO2)C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000064692878 569083221 /nfs/dbraw/zinc/08/32/21/569083221.db2.gz WJOLYNXQKCGBER-UHFFFAOYSA-N 0 0 421.415 4.554 50 0 HJAARN COc1ccc(Cl)cc1CC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000006664288 569085979 /nfs/dbraw/zinc/08/59/79/569085979.db2.gz FUSKHXGEAILTOV-NRFANRHFSA-N 0 0 419.912 4.868 50 0 HJAARN CSCC[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1nc2ccccc2[nH]1 ZINC000006664320 569086007 /nfs/dbraw/zinc/08/60/07/569086007.db2.gz YQXDWGKQFCHIMC-KRWDZBQOSA-N 0 0 407.461 4.735 50 0 HJAARN Cc1ccc(C)c(CN(Cc2nc(C(=O)NC(C)C)co2)Cc2ccc(F)cc2)c1 ZINC000036072398 569086484 /nfs/dbraw/zinc/08/64/84/569086484.db2.gz HDJIHFVUSPONEZ-UHFFFAOYSA-N 0 0 409.505 4.771 50 0 HJAARN O=C(NCc1ccc(F)cc1)c1csc(COc2cccc(C(F)(F)F)c2)n1 ZINC000036084586 569087570 /nfs/dbraw/zinc/08/75/70/569087570.db2.gz VTXPLKNWWWOMPE-UHFFFAOYSA-N 0 0 410.392 4.810 50 0 HJAARN COc1cccc(-c2noc([C@H]3CCCN3C(=O)Nc3ccc(F)c(Cl)c3)n2)c1 ZINC000064747469 569088762 /nfs/dbraw/zinc/08/87/62/569088762.db2.gz ZNGSWWBASQILGH-QGZVFWFLSA-N 0 0 416.840 4.907 50 0 HJAARN COc1ccccc1-c1noc([C@H]2CCCN2C(=O)Nc2cccc(SC)c2)n1 ZINC000064747653 569088906 /nfs/dbraw/zinc/08/89/06/569088906.db2.gz ADQAMEFEXFWDFA-QGZVFWFLSA-N 0 0 410.499 4.836 50 0 HJAARN COc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccc(F)cc3F)no2)cc1F ZINC000064747763 569089025 /nfs/dbraw/zinc/08/90/25/569089025.db2.gz ONYNNZNTUWYQFB-INIZCTEOSA-N 0 0 418.375 4.532 50 0 HJAARN CC(C)C(=O)N(Cc1ccco1)Cc1nccn1Cc1cccc(C(F)(F)F)c1 ZINC000006689920 569089315 /nfs/dbraw/zinc/08/93/15/569089315.db2.gz FWJSRZBHBYZNNU-UHFFFAOYSA-N 0 0 405.420 4.728 50 0 HJAARN CC(C)(C)NC(=O)N(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000006694835 569091352 /nfs/dbraw/zinc/09/13/52/569091352.db2.gz YTDYWHICGZWPDD-IBGZPJMESA-N 0 0 417.912 4.982 50 0 HJAARN COc1ccc(C2=NO[C@H](CN(Cc3cccc(F)c3)C(=O)CC(C)(C)C)C2)cc1 ZINC000006695181 569091456 /nfs/dbraw/zinc/09/14/56/569091456.db2.gz CMYGQHONAQWTDH-NRFANRHFSA-N 0 0 412.505 4.792 50 0 HJAARN CN(C)c1ccc(NC(=O)C2CC2)cc1CN(Cc1ccco1)C(=O)CC(C)(C)C ZINC000006696342 569091877 /nfs/dbraw/zinc/09/18/77/569091877.db2.gz RFQGKNIMIGEAKB-UHFFFAOYSA-N 0 0 411.546 4.659 50 0 HJAARN O=C(c1ccco1)N(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000006696428 569091945 /nfs/dbraw/zinc/09/19/45/569091945.db2.gz FQWFMNBHXJPEKO-IBGZPJMESA-N 0 0 412.848 4.908 50 0 HJAARN CC(C)NC(=O)N(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000006696433 569091984 /nfs/dbraw/zinc/09/19/84/569091984.db2.gz DHHRZKXFNOUKHU-LJQANCHMSA-N 0 0 403.885 4.592 50 0 HJAARN CCc1nc2sc([C@H](c3cccc(Cl)c3)[NH+]3C[C@@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000036104805 569092626 /nfs/dbraw/zinc/09/26/26/569092626.db2.gz KNQFVMFTIGUJOB-DCGLDWPTSA-N 0 0 404.967 4.780 50 0 HJAARN COc1ccccc1OCc1nc(CN(C(=O)Cc2ccccc2)C(C)C)cs1 ZINC000036105725 569092857 /nfs/dbraw/zinc/09/28/57/569092857.db2.gz KYQLBRXLGOILEG-UHFFFAOYSA-N 0 0 410.539 4.710 50 0 HJAARN COc1ccccc1OCc1nc(CN(CC(C)C)C(=O)Cc2ccccc2)cs1 ZINC000036105676 569092903 /nfs/dbraw/zinc/09/29/03/569092903.db2.gz RIEAWQUEXDFSQZ-UHFFFAOYSA-N 0 0 424.566 4.958 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccccc1)CC2=O ZINC000064775499 569093508 /nfs/dbraw/zinc/09/35/08/569093508.db2.gz MGVQAVQVUOFKET-OAHLLOKOSA-N 0 0 406.869 4.502 50 0 HJAARN COCCN(Cc1csc(COc2ccccc2)n1)C(=O)c1ccc(Cl)cc1 ZINC000036114445 569093912 /nfs/dbraw/zinc/09/39/12/569093912.db2.gz CGMCBLWZHFVGIZ-UHFFFAOYSA-N 0 0 416.930 4.664 50 0 HJAARN COc1cccc(-c2csc3ncc(C(=O)Nc4c(C)cc(C)cc4C)c(=O)n23)c1 ZINC000064787964 569094337 /nfs/dbraw/zinc/09/43/37/569094337.db2.gz PHZBMUWNMCJUTD-UHFFFAOYSA-N 0 0 419.506 4.609 50 0 HJAARN CN(C)c1ccc(NC(=O)CC(C)(C)C)cc1CN(Cc1ccco1)C(=O)C1CC1 ZINC000006709517 569095603 /nfs/dbraw/zinc/09/56/03/569095603.db2.gz JOIJGHWFFREWMV-UHFFFAOYSA-N 0 0 411.546 4.659 50 0 HJAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)NC(C)C)ccc1N(C)C)[C@@H](C)CC ZINC000006709308 569095693 /nfs/dbraw/zinc/09/56/93/569095693.db2.gz ZGPBCLWXGNFOAL-KRWDZBQOSA-N 0 0 404.599 4.846 50 0 HJAARN CCn1c(SCc2ccc(F)c(F)c2)nnc1-c1sc2ncccc2c1N ZINC000064794247 569096283 /nfs/dbraw/zinc/09/62/83/569096283.db2.gz IVFNKHGDBMTLBC-UHFFFAOYSA-N 0 0 403.483 4.727 50 0 HJAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)CC(C)C ZINC000006712334 569097326 /nfs/dbraw/zinc/09/73/26/569097326.db2.gz KTMAXUSLPNWRQK-UHFFFAOYSA-N 0 0 401.595 4.912 50 0 HJAARN CN(C)c1ccc(NC(=O)c2cccs2)cc1CN(Cc1ccco1)C(=O)C1CC1 ZINC000006722172 569099429 /nfs/dbraw/zinc/09/94/29/569099429.db2.gz IEHHOIAEHWEQQE-UHFFFAOYSA-N 0 0 423.538 4.598 50 0 HJAARN CC[C@@H](C)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C(=O)c1cccs1 ZINC000006722495 569099605 /nfs/dbraw/zinc/09/96/05/569099605.db2.gz SMTMBGMBHXZGSZ-MRXNPFEDSA-N 0 0 413.587 4.994 50 0 HJAARN CCCN(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)C(=O)CC ZINC000006722643 569099684 /nfs/dbraw/zinc/09/96/84/569099684.db2.gz DXYNGZRQIWDUFL-UHFFFAOYSA-N 0 0 401.938 4.807 50 0 HJAARN CCn1nc(C)c2nc(SCc3cccc(C)c3)n(Cc3cccs3)c(=O)c21 ZINC000064817578 569100907 /nfs/dbraw/zinc/10/09/07/569100907.db2.gz DSHOSWYSFAOKES-UHFFFAOYSA-N 0 0 410.568 4.632 50 0 HJAARN O=C(c1ccco1)N(Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCCC1 ZINC000036156312 569101421 /nfs/dbraw/zinc/10/14/21/569101421.db2.gz HYMRWCVXHQOIOM-UHFFFAOYSA-N 0 0 417.465 4.970 50 0 HJAARN Cc1ccc(-c2noc(C3CCN(C(=O)Cc4c(F)cccc4Cl)CC3)n2)cc1 ZINC000064818238 569102076 /nfs/dbraw/zinc/10/20/76/569102076.db2.gz UFWWOYKPVKVCRG-UHFFFAOYSA-N 0 0 413.880 4.786 50 0 HJAARN COC(=O)c1ccccc1NC(=O)c1c(C)onc1-c1ccc(Br)s1 ZINC000064820111 569102426 /nfs/dbraw/zinc/10/24/26/569102426.db2.gz REWWSWDMCBHTFC-UHFFFAOYSA-N 0 0 421.272 4.513 50 0 HJAARN Cc1ccc(CN2c3ccccc3[C@]3(SCCN3C(=O)c3cccs3)C2=O)cc1 ZINC000036164355 569103057 /nfs/dbraw/zinc/10/30/57/569103057.db2.gz NFCZNMXMCUURCH-QHCPKHFHSA-N 0 0 420.559 4.645 50 0 HJAARN COc1ccc(-c2noc(CN(C(=O)COc3ccc(C(C)C)cc3)C(C)C)n2)cc1 ZINC000006736995 569104820 /nfs/dbraw/zinc/10/48/20/569104820.db2.gz FFQNUTPKPYFLPW-UHFFFAOYSA-N 0 0 423.513 4.685 50 0 HJAARN Cc1ccc(-c2nc(CCN(C)C(=O)Nc3cccc(C(F)(F)F)c3)no2)cc1 ZINC000064839893 569105360 /nfs/dbraw/zinc/10/53/60/569105360.db2.gz XAQXXFDVOLZMHO-UHFFFAOYSA-N 0 0 404.392 4.770 50 0 HJAARN COc1ccc(-c2nnn3c2nc(NCc2cccc(OC)c2)c2ccccc23)cc1 ZINC000006738873 569105539 /nfs/dbraw/zinc/10/55/39/569105539.db2.gz YNKFMEBGZFNKOS-UHFFFAOYSA-N 0 0 411.465 4.574 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000064847670 569107194 /nfs/dbraw/zinc/10/71/94/569107194.db2.gz MXZRBMSJWGZEJJ-OAHLLOKOSA-N 0 0 415.921 4.867 50 0 HJAARN C[C@H](C(=O)Nc1ccc(Cl)cc1)C1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000064847980 569107334 /nfs/dbraw/zinc/10/73/34/569107334.db2.gz QRDJVLHWJNEQDX-AWEZNQCLSA-N 0 0 403.885 4.998 50 0 HJAARN C[C@H](C(=O)Nc1ccc(F)cc1F)C1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000064847993 569107347 /nfs/dbraw/zinc/10/73/47/569107347.db2.gz DZMAYUUCFODLHM-ZDUSSCGKSA-N 0 0 405.420 4.623 50 0 HJAARN COCCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@H]1c1ccc(Cl)cc1 ZINC000006743321 569107970 /nfs/dbraw/zinc/10/79/70/569107970.db2.gz LTBAPOKHFOZDEH-HXUWFJFHSA-N 0 0 411.885 4.645 50 0 HJAARN CCN(CC)c1ccc(NS(=O)(=O)c2c(C)sc(C)c2-c2ccno2)c(C)c1 ZINC000064845232 569108088 /nfs/dbraw/zinc/10/80/88/569108088.db2.gz VUMZEBQJYKIRSL-UHFFFAOYSA-N 0 0 419.572 4.975 50 0 HJAARN CCOc1ccccc1CNS(=O)(=O)c1c(C)sc(C)c1-c1onc(C)c1C ZINC000064845929 569108182 /nfs/dbraw/zinc/10/81/82/569108182.db2.gz ABQRKHRTOFQSIO-UHFFFAOYSA-N 0 0 420.556 4.514 50 0 HJAARN COc1ccc(NC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)cc1 ZINC000006747987 569108701 /nfs/dbraw/zinc/10/87/01/569108701.db2.gz ZYVWDTSWAQEEMR-UHFFFAOYSA-N 0 0 403.866 4.822 50 0 HJAARN O=C(c1c(F)cccc1F)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064858475 569108943 /nfs/dbraw/zinc/10/89/43/569108943.db2.gz UUCGSANWPHBLPJ-UHFFFAOYSA-N 0 0 413.855 4.966 50 0 biogenic HJAARN Cc1c(NC(=O)Nc2cccc(C)c2C)sc2nc3n(c(=O)c12)CC[C@H](C)CC3 ZINC000006750146 569109121 /nfs/dbraw/zinc/10/91/21/569109121.db2.gz UABFYJGNIVDXPF-GFCCVEGCSA-N 0 0 410.543 5.000 50 0 HJAARN COc1ccc(CC(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)cc1 ZINC000064858580 569109205 /nfs/dbraw/zinc/10/92/05/569109205.db2.gz MULGFHHRPCQBHE-UHFFFAOYSA-N 0 0 415.537 4.589 50 0 biogenic HJAARN Cc1c(NC(=O)Nc2ccc(F)cc2F)sc2nc3n(c(=O)c12)CC[C@H](C)CC3 ZINC000006750165 569109229 /nfs/dbraw/zinc/10/92/29/569109229.db2.gz ZAJDHGAPOJBERW-SNVBAGLBSA-N 0 0 418.469 4.661 50 0 HJAARN O=C(Cn1c2cnccc2nc1SCc1ccc(F)cc1)NCCC1=CCCCC1 ZINC000006752256 569110216 /nfs/dbraw/zinc/11/02/16/569110216.db2.gz PZSDRGPYKGXVAU-UHFFFAOYSA-N 0 0 424.545 4.869 50 0 HJAARN O=C(C1CCC1)N(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000006753662 569110761 /nfs/dbraw/zinc/11/07/61/569110761.db2.gz UVHPUMKWQCUNSL-HXUWFJFHSA-N 0 0 400.881 4.801 50 0 HJAARN Cc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCc2ccccc2)cc1 ZINC000006752871 569111463 /nfs/dbraw/zinc/11/14/63/569111463.db2.gz LFMIQZVWJQTVRT-RUZDIDTESA-N 0 0 409.489 4.879 50 0 aggregator HJAARN CCc1ccc(NC(=O)N2CCc3nc(-c4ccc(OC)c(OC)c4)sc3C2)cc1 ZINC000064868075 569111868 /nfs/dbraw/zinc/11/18/68/569111868.db2.gz RDTLOGHQGGQGRX-UHFFFAOYSA-N 0 0 423.538 4.980 50 0 HJAARN COc1ccc([C@@]2(C(=O)Nc3ccccc3C)CC(=O)N2c2ccc(C)cc2C)cc1 ZINC000006756899 569113174 /nfs/dbraw/zinc/11/31/74/569113174.db2.gz ZWIXGTMIVSKCBG-AREMUKBSSA-N 0 0 414.505 4.891 50 0 HJAARN O=C(Nc1cccc(Cl)c1)C1CCN(c2cc(-c3cccc(F)c3)ncn2)CC1 ZINC000064872942 569113779 /nfs/dbraw/zinc/11/37/79/569113779.db2.gz AVCRBSVKWBILSL-UHFFFAOYSA-N 0 0 410.880 4.791 50 0 HJAARN Cc1ccc(NC(=O)C2CCN(c3cc(-c4ccc(F)cc4)ncn3)CC2)c(C)c1 ZINC000064872437 569114056 /nfs/dbraw/zinc/11/40/56/569114056.db2.gz OOLKXSYUCXUIEY-UHFFFAOYSA-N 0 0 404.489 4.755 50 0 HJAARN Cc1ccc(-c2nn([C@@H](C)C(=O)Nc3ccccc3C)c(=O)c3c2CCCC3)cc1 ZINC000006767218 569115035 /nfs/dbraw/zinc/11/50/35/569115035.db2.gz CLKBWGXFQRLWTL-SFHVURJKSA-N 0 0 401.510 4.606 50 0 HJAARN COc1ccc(S(=O)(=O)N(Cc2ccccc2Cl)c2ccc(F)cc2)cc1 ZINC000036247097 569116904 /nfs/dbraw/zinc/11/69/04/569116904.db2.gz HKBOEJHYOGRPRR-UHFFFAOYSA-N 0 0 405.878 4.883 50 0 HJAARN COc1cc(OC)cc(N([C@@H](C)c2ccccc2)S(=O)(=O)c2ccccc2F)c1 ZINC000036247670 569117124 /nfs/dbraw/zinc/11/71/24/569117124.db2.gz CDDVCDNJVSOHDE-INIZCTEOSA-N 0 0 415.486 4.799 50 0 HJAARN COc1cc(OC)cc(N([C@H](C)c2ccccc2)S(=O)(=O)c2ccccc2F)c1 ZINC000036247671 569117135 /nfs/dbraw/zinc/11/71/35/569117135.db2.gz CDDVCDNJVSOHDE-MRXNPFEDSA-N 0 0 415.486 4.799 50 0 HJAARN O=S(=O)(c1cccc(F)c1)N(Cc1ccccc1)c1ccc(Br)cc1 ZINC000036248113 569117266 /nfs/dbraw/zinc/11/72/66/569117266.db2.gz MEHQNNCCZQYVCU-UHFFFAOYSA-N 0 0 420.303 4.984 50 0 HJAARN O=C(NCc1ccc(Cl)cc1)c1ccc(C[S@](=O)c2ccc(Cl)cc2)o1 ZINC000006772124 569117312 /nfs/dbraw/zinc/11/73/12/569117312.db2.gz MLVYCEOLMZQPLE-AREMUKBSSA-N 0 0 408.306 4.824 50 0 HJAARN COc1ccc(N(Cc2cccc(F)c2)S(=O)(=O)c2ccccc2C)cc1OC ZINC000036248234 569117319 /nfs/dbraw/zinc/11/73/19/569117319.db2.gz OTMSTSBVUCZBKI-UHFFFAOYSA-N 0 0 415.486 4.547 50 0 HJAARN CC(C)CN(CCC(=O)NCc1ccco1)c1nc(-c2ccco2)nc2ccccc21 ZINC000006773805 569118690 /nfs/dbraw/zinc/11/86/90/569118690.db2.gz ZRZPJHOPQLUWKB-UHFFFAOYSA-N 0 0 418.497 4.652 50 0 HJAARN COc1ccc(-c2nc(OCC(C)C)nn2-c2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000006776684 569118730 /nfs/dbraw/zinc/11/87/30/569118730.db2.gz SKQJXBGHQOZJPY-UHFFFAOYSA-N 0 0 408.502 4.572 50 0 HJAARN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(C)c(Cl)c1)C2=O ZINC000006788838 569123135 /nfs/dbraw/zinc/12/31/35/569123135.db2.gz DVNFPTIATGIOIJ-UHFFFAOYSA-N 0 0 419.953 4.504 50 0 HJAARN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(c3ccnc(-c4cccc(F)c4)n3)C2)cc1 ZINC000064929087 569123421 /nfs/dbraw/zinc/12/34/21/569123421.db2.gz ICXPYSJKCLKANZ-WIYYLYMNSA-N 0 0 418.516 4.685 50 0 HJAARN O=C(CCC1CCCC1)N1CCC[C@H]1c1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000064929978 569124026 /nfs/dbraw/zinc/12/40/26/569124026.db2.gz CDHMMHDRONHPSL-KRWDZBQOSA-N 0 0 416.522 4.563 50 0 HJAARN C[C@@H]1CCC[C@H](C)N1C(=O)CSCc1cnn(-c2ccccc2)c1-n1cccc1 ZINC000006796469 569125108 /nfs/dbraw/zinc/12/51/08/569125108.db2.gz XVSDLXSMYHSEFZ-KDURUIRLSA-N 0 0 408.571 4.686 50 0 HJAARN COc1ccc2c(C[NH2+]Cc3ccccc3)c(C(=O)[O-])n(Cc3ccccc3F)c2c1 ZINC000006794362 569125579 /nfs/dbraw/zinc/12/55/79/569125579.db2.gz AARGMCYSKRRPIO-UHFFFAOYSA-N 0 0 418.468 4.825 50 0 HJAARN Cc1nn([C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)c(=O)c2c3ccccc3sc21 ZINC000006799167 569126259 /nfs/dbraw/zinc/12/62/59/569126259.db2.gz FKZGAODZBMCKHF-DOTOQJQBSA-N 0 0 419.550 4.618 50 0 HJAARN Cc1ccc(NC(=O)CCCn2nc(C)c3sc4ccccc4c3c2=O)c(C)c1 ZINC000006799417 569126478 /nfs/dbraw/zinc/12/64/78/569126478.db2.gz OLCUNCHKJKKLQQ-UHFFFAOYSA-N 0 0 405.523 4.955 50 0 HJAARN CCOC(=O)[C@@H]1CCCN(c2nc([C@@H](C)CC)nc3sc4c(c32)CCCC4)C1 ZINC000169679875 569127068 /nfs/dbraw/zinc/12/70/68/569127068.db2.gz YJFQBERDDJWYJU-LSDHHAIUSA-N 0 0 401.576 4.863 50 0 HJAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1CN(C[C@H](C)O)C1CC1 ZINC000036302782 569128316 /nfs/dbraw/zinc/12/83/16/569128316.db2.gz NDJSELZCSQJOES-SFHVURJKSA-N 0 0 421.541 4.581 50 0 HJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3n3c2nnc3C(C)C)cc1F ZINC000064949247 569129049 /nfs/dbraw/zinc/12/90/49/569129049.db2.gz KGXDFPUOGCBBEI-UHFFFAOYSA-N 0 0 409.490 4.579 50 0 HJAARN CC(C)c1nnc2c(SCC(=O)Nc3ccccc3Cl)nc3ccccc3n21 ZINC000064949187 569129088 /nfs/dbraw/zinc/12/90/88/569129088.db2.gz YRFCIQWWBBJROP-UHFFFAOYSA-N 0 0 411.918 4.785 50 0 HJAARN O=c1c2ccccc2c(-c2nc(-c3ccc(Cl)cc3)no2)nn1-c1ccc(F)cc1 ZINC000064949986 569129792 /nfs/dbraw/zinc/12/97/92/569129792.db2.gz VKVSQKOXAFPSRX-UHFFFAOYSA-N 0 0 418.815 4.895 50 0 HJAARN O=C(CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21)NCc1cccnc1 ZINC000006802751 569129855 /nfs/dbraw/zinc/12/98/55/569129855.db2.gz FWIVPZGSPJJDNX-UHFFFAOYSA-N 0 0 404.901 4.848 50 0 HJAARN CCOCCC[NH2+]Cc1c2ccccc2n(Cc2ccccc2Cl)c1C(=O)[O-] ZINC000006803714 569130388 /nfs/dbraw/zinc/13/03/88/569130388.db2.gz MEIGVOVEBFENPH-UHFFFAOYSA-N 0 0 400.906 4.557 50 0 HJAARN COc1ccc(C[NH2+]Cc2c3ccccc3n(Cc3ccccc3F)c2C(=O)[O-])cc1 ZINC000006803788 569130516 /nfs/dbraw/zinc/13/05/16/569130516.db2.gz XMAAKAXRKKJFFC-UHFFFAOYSA-N 0 0 418.468 4.825 50 0 HJAARN Cc1cccc(N(C)[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)c1 ZINC000006804170 569130672 /nfs/dbraw/zinc/13/06/72/569130672.db2.gz RNFDXTPQVHDOTI-JOCHJYFZSA-N 0 0 414.958 4.804 50 0 HJAARN Cc1c(C[NH2+]Cc2ccccc2)c(C(=O)[O-])c(C)n1Cc1ccc(F)cc1Cl ZINC000006806758 569131131 /nfs/dbraw/zinc/13/11/31/569131131.db2.gz FETFMXHZGAPCPB-UHFFFAOYSA-N 0 0 400.881 4.934 50 0 HJAARN Cc1c(C[NH2+]Cc2cccs2)c(C(=O)[O-])c(C)n1Cc1c(F)cccc1Cl ZINC000006806781 569131146 /nfs/dbraw/zinc/13/11/46/569131146.db2.gz XMBAAVQZSKOEIC-UHFFFAOYSA-N 0 0 406.910 4.995 50 0 HJAARN Cn1c2cn(-c3cccc4ccccc43)c(-c3ccc(Cl)cc3)c2c(=O)n(C)c1=O ZINC000006804426 569131312 /nfs/dbraw/zinc/13/13/12/569131312.db2.gz AKBKBLSGLCCUBP-UHFFFAOYSA-N 0 0 415.880 4.502 50 0 HJAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000006807726 569131958 /nfs/dbraw/zinc/13/19/58/569131958.db2.gz JKTDRAWNQUQCLO-MRXNPFEDSA-N 0 0 420.900 4.657 50 0 HJAARN CCOc1ccc(NC(=O)Cc2c(C)nc3cc(-c4ccccc4)nn3c2C)cc1 ZINC000006808977 569133036 /nfs/dbraw/zinc/13/30/36/569133036.db2.gz CLVWTRVMZBHKDK-UHFFFAOYSA-N 0 0 400.482 4.593 50 0 HJAARN Cc1nn(C(C)(C)C)c2nc(C)c(CCC(=O)NCCCc3ccccc3)c(C)c12 ZINC000006809032 569133217 /nfs/dbraw/zinc/13/32/17/569133217.db2.gz QSBDGMSABQMLHN-UHFFFAOYSA-N 0 0 406.574 4.793 50 0 HJAARN O=C(c1cccc(Br)c1)N1CCC[C@@H](OCc2cc(F)cc(F)c2)C1 ZINC000036315365 569134861 /nfs/dbraw/zinc/13/48/61/569134861.db2.gz VWCCYTRDODIEQR-GOSISDBHSA-N 0 0 410.258 4.549 50 0 HJAARN CCn1cc(-c2nc(-c3ccccc3Br)no2)c(=O)c2cc(F)ccc21 ZINC000064961042 569135574 /nfs/dbraw/zinc/13/55/74/569135574.db2.gz ATLAHFKTLJFWKQ-UHFFFAOYSA-N 0 0 414.234 4.640 50 0 HJAARN Cc1ccc(-c2noc(CSc3nnc(-c4ccncc4)n3CC(C)C)n2)cc1 ZINC000006810758 569135787 /nfs/dbraw/zinc/13/57/87/569135787.db2.gz WLTDZJNUXJRZJU-UHFFFAOYSA-N 0 0 406.515 4.647 50 0 HJAARN Cn1c2cn(C3CCCCCC3)c(-c3ccc(C(C)(C)C)cc3)c2c(=O)n(C)c1=O ZINC000006811125 569135963 /nfs/dbraw/zinc/13/59/63/569135963.db2.gz HDLVDLDURBCRRL-UHFFFAOYSA-N 0 0 407.558 4.899 50 0 HJAARN Cc1cccn2c(=O)c3cc(C(=O)Nc4cccc(Cl)c4Cl)sc3nc12 ZINC000006816500 569137492 /nfs/dbraw/zinc/13/74/92/569137492.db2.gz JHXTZXYWRFQUIB-UHFFFAOYSA-N 0 0 404.278 4.777 50 0 HJAARN O=c1c2sc3ccccc3c2n(Cc2ccc(F)cc2)c(=O)n1Cc1ccccc1 ZINC000006817321 569137765 /nfs/dbraw/zinc/13/77/65/569137765.db2.gz YTPWVLWEOOCDSO-UHFFFAOYSA-N 0 0 416.477 4.614 50 0 HJAARN O=C(NCc1ccc2c(c1)CCN2C(=O)c1ccccc1)Nc1ccc(Cl)cc1 ZINC000064969089 569138203 /nfs/dbraw/zinc/13/82/03/569138203.db2.gz XVHFSDFKUCSKHP-UHFFFAOYSA-N 0 0 405.885 4.865 50 0 HJAARN CCCSCCCNC(=O)c1ccccc1NC(=O)c1nsc2ccccc21 ZINC000064972695 569139653 /nfs/dbraw/zinc/13/96/53/569139653.db2.gz RKWIUSSMMNFVNI-UHFFFAOYSA-N 0 0 413.568 4.812 50 0 HJAARN Cc1cn2c(nc(COc3cc(C)ccc3NC(=O)c3ccc(C)cc3)cc2=O)s1 ZINC000064976870 569139912 /nfs/dbraw/zinc/13/99/12/569139912.db2.gz VMSMWDOFUBQVAZ-UHFFFAOYSA-N 0 0 419.506 4.513 50 0 HJAARN Cc1cc(-c2ccc(S(=O)(=O)Nc3ccc(C)cc3Br)c(C)c2)on1 ZINC000064979656 569141022 /nfs/dbraw/zinc/14/10/22/569141022.db2.gz AUMCASGHJZCSJT-UHFFFAOYSA-N 0 0 421.316 4.830 50 0 HJAARN COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CCCCC2)cc1 ZINC000036341176 569141836 /nfs/dbraw/zinc/14/18/36/569141836.db2.gz XUJYSMQTSOGYME-QFIPXVFZSA-N 0 0 411.933 4.512 50 0 HJAARN COc1cccc(C2=NN(C(=O)CN3CCCCC3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000036341043 569141869 /nfs/dbraw/zinc/14/18/69/569141869.db2.gz CTCIDEJLPOQEFG-JOCHJYFZSA-N 0 0 411.933 4.512 50 0 HJAARN Cc1ccc(CN2CCN(C3CCN(C(=O)Nc4cc(C)cc(C)c4)CC3)C2=O)cc1 ZINC000064988833 569145620 /nfs/dbraw/zinc/14/56/20/569145620.db2.gz AGGNUMLWLBVVHP-UHFFFAOYSA-N 0 0 420.557 4.546 50 0 HJAARN Cc1cccc(C(=O)N2CCc3ccc(CNC(=O)CSc4ccccc4)cc32)c1 ZINC000064990109 569146313 /nfs/dbraw/zinc/14/63/13/569146313.db2.gz JOKONWYMERLROU-UHFFFAOYSA-N 0 0 416.546 4.606 50 0 HJAARN C[C@@H]1Cc2ccc(CNC(=O)Nc3cc(F)ccc3F)cc2N1C(=O)c1ccccc1 ZINC000064990608 569146568 /nfs/dbraw/zinc/14/65/68/569146568.db2.gz JYCRUCHKZPYZSH-OAHLLOKOSA-N 0 0 421.447 4.878 50 0 HJAARN Cc1cccc(C(=O)N2CCc3ccc(CNC(=O)Nc4cccc(F)c4)cc32)c1 ZINC000064990934 569146668 /nfs/dbraw/zinc/14/66/68/569146668.db2.gz SCNZTKZZILTOKK-UHFFFAOYSA-N 0 0 403.457 4.659 50 0 HJAARN COc1ccc(C(=O)CSc2nnc(NC(=O)C[C@H](C)CC(C)(C)C)s2)cc1 ZINC000006833809 569148380 /nfs/dbraw/zinc/14/83/80/569148380.db2.gz SAUWOOGVLUCPCN-ZDUSSCGKSA-N 0 0 421.588 4.923 50 0 HJAARN O=C(C[C@@H](c1c[nH]c2ccccc21)c1ccc2c(c1)OCO2)NCCc1ccccc1 ZINC000006833987 569148502 /nfs/dbraw/zinc/14/85/02/569148502.db2.gz ITUOTFUJEAMNOY-OAQYLSRUSA-N 0 0 412.489 4.778 50 0 HJAARN COc1ccc([C@@H](CC(=O)N2CCC(C)CC2)c2c[nH]c3ccccc32)cc1OC ZINC000006834199 569148614 /nfs/dbraw/zinc/14/86/14/569148614.db2.gz IQOFOSCZPYKDSX-HXUWFJFHSA-N 0 0 406.526 4.966 50 0 HJAARN Cc1ccc(C(=O)CSc2nnc(NC(=O)c3ccccc3Cl)s2)cc1 ZINC000006838036 569149586 /nfs/dbraw/zinc/14/95/86/569149586.db2.gz YJNUTFHGQUZPQW-UHFFFAOYSA-N 0 0 403.916 4.727 50 0 HJAARN CCOc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)C3CCCC3)cc2)cc1 ZINC000006838290 569149662 /nfs/dbraw/zinc/14/96/62/569149662.db2.gz UKKZITDYGOBUCU-QHCPKHFHSA-N 0 0 410.539 4.993 50 0 HJAARN O=C(Nc1ccc([C@@H]2SCC(=O)N2c2ccc(F)cc2F)cc1)c1ccccc1 ZINC000006837018 569150035 /nfs/dbraw/zinc/15/00/35/569150035.db2.gz QLFZALXQVXDMCZ-QFIPXVFZSA-N 0 0 410.445 4.996 50 0 HJAARN Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c1C ZINC000006839516 569150282 /nfs/dbraw/zinc/15/02/82/569150282.db2.gz JJBMHHAKXIQJAP-UHFFFAOYSA-N 0 0 420.962 4.774 50 0 HJAARN COc1cc(OC)c([C@H]2CC(=O)Nc3c2ncn3-c2cccc(Cl)c2)cc1OC ZINC000036359134 569150563 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Cc1cccc([S@@](=O)Cc2ccc(C(=O)NCCc3ccc(Cl)cc3)o2)c1 ZINC000006895208 569175243 /nfs/dbraw/zinc/17/52/43/569175243.db2.gz JUCIAYQJBUCLOB-HHHXNRCGSA-N 0 0 401.915 4.522 50 0 HJAARN CCc1nnc(SCC(=O)N(CC)Cc2ccccc2)c2cc3sccc3n21 ZINC000006893893 569175481 /nfs/dbraw/zinc/17/54/81/569175481.db2.gz HKINQQIVIYFZKM-UHFFFAOYSA-N 0 0 410.568 4.647 50 0 HJAARN CCCn1c2ccccc2c2cnn(CC(=O)Nc3ccc(C(C)C)cc3)c(=O)c21 ZINC000006900009 569176066 /nfs/dbraw/zinc/17/60/66/569176066.db2.gz XYMPTCHTFCNYJS-UHFFFAOYSA-N 0 0 402.498 4.523 50 0 HJAARN Cc1ccc(-n2nnc(C(=O)Nc3ccc(F)cc3C)c2-c2cccnc2)cc1C ZINC000065095743 569176265 /nfs/dbraw/zinc/17/62/65/569176265.db2.gz SAEBSUQXCXKNPP-UHFFFAOYSA-N 0 0 401.445 4.646 50 0 HJAARN O=C(Nc1ccccc1Oc1nc2ccccc2n2cnnc12)c1cccc(Cl)c1 ZINC000065096523 569176472 /nfs/dbraw/zinc/17/64/72/569176472.db2.gz VANGKLAFGZPLIF-UHFFFAOYSA-N 0 0 415.840 4.976 50 0 HJAARN O=C(NCc1ccc(-c2noc(Cc3c(Cl)cccc3Cl)n2)s1)C1CC1 ZINC000065097094 569176587 /nfs/dbraw/zinc/17/65/87/569176587.db2.gz 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O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)[C@H]1CS[C@@H]2c3ccccc3C(=O)N21 ZINC000036569587 569200894 /nfs/dbraw/zinc/20/08/94/569200894.db2.gz RMYATVOSYYIBBE-RHSMWYFYSA-N 0 0 412.820 4.567 50 0 HJAARN CCn1cc(-c2nc(CC(=O)NCc3ccc(Cl)cc3)cs2)c2cccnc21 ZINC000065240992 569203932 /nfs/dbraw/zinc/20/39/32/569203932.db2.gz USHRWROVFLPKQM-UHFFFAOYSA-N 0 0 410.930 4.692 50 0 HJAARN CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)Nc1ccn(C(C)C)n1 ZINC000036615827 569207022 /nfs/dbraw/zinc/20/70/22/569207022.db2.gz XIOYIHQXNQDTAY-UHFFFAOYSA-N 0 0 402.502 4.765 50 0 HJAARN CCCn1ncc2c1nc(C1CC1)cc2C(=O)NCc1csc(-c2ccccc2)n1 ZINC000036616862 569207809 /nfs/dbraw/zinc/20/78/09/569207809.db2.gz CFXURSGCSRAPDI-UHFFFAOYSA-N 0 0 417.538 4.772 50 0 HJAARN CCOc1ccccc1CNC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c21 ZINC000036617353 569208276 /nfs/dbraw/zinc/20/82/76/569208276.db2.gz CJDSYVATZVUVJK-UHFFFAOYSA-N 0 0 405.429 4.666 50 0 HJAARN COc1cccc([C@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)c1 ZINC000036611683 569208890 /nfs/dbraw/zinc/20/88/90/569208890.db2.gz YDQPHLSENSSIAI-INIZCTEOSA-N 0 0 400.482 4.537 50 0 HJAARN COc1ccc([C@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)cc1 ZINC000036611708 569208929 /nfs/dbraw/zinc/20/89/29/569208929.db2.gz UESNBVGKPZGNAQ-INIZCTEOSA-N 0 0 400.482 4.537 50 0 HJAARN CC(C)N1c2ccc(NC(=O)Cc3ccccc3F)cc2Sc2ncccc2C1=O ZINC000065258579 569210327 /nfs/dbraw/zinc/21/03/27/569210327.db2.gz UVUKWPKAVUMOMV-UHFFFAOYSA-N 0 0 421.497 4.922 50 0 HJAARN CCOc1ccc(C(=O)N2CCC[C@@]3(C2)Nc2ccccc2NC3=NC(C)(C)C)cc1 ZINC000065260065 569210832 /nfs/dbraw/zinc/21/08/32/569210832.db2.gz SYWBCSIRRVXMDD-VWLOTQADSA-N 0 0 420.557 4.604 50 0 HJAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)C[C@@H](c1ccsc1)n1cccc1)CC3 ZINC000524731693 569212506 /nfs/dbraw/zinc/21/25/06/569212506.db2.gz HOTCFGVPCBIQBZ-QFIPXVFZSA-N 0 0 405.523 4.604 50 0 biogenic HJAARN COc1cc(CN(C)C(=O)c2ccc(-c3ccccc3)nc2C)ccc1OC(F)F ZINC000036623042 569212545 /nfs/dbraw/zinc/21/25/45/569212545.db2.gz NPXICQWMTQYWIC-UHFFFAOYSA-N 0 0 412.436 4.939 50 0 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/nfs/dbraw/zinc/21/74/80/569217480.db2.gz VOQDJROGWINASE-HNNXBMFYSA-N 0 0 410.520 4.978 50 0 HJAARN c1ccc(Cn2c(SCc3cccc4ccccc43)nnc2N2CCOCC2)cc1 ZINC000007073239 569217688 /nfs/dbraw/zinc/21/76/88/569217688.db2.gz LJAGNECWQSGAIU-UHFFFAOYSA-N 0 0 416.550 4.609 50 0 HJAARN Cc1cccc2c(C)cc(SCC(=O)N3c4ccccc4NC(=O)C[C@H]3C)nc12 ZINC000007090156 569217701 /nfs/dbraw/zinc/21/77/01/569217701.db2.gz LQCBBFXZHLXSCZ-MRXNPFEDSA-N 0 0 405.523 4.708 50 0 HJAARN Cc1sc2c(ncn(C3CCCCC3)c2=O)c1C(=O)NCc1cccc(Cl)c1 ZINC000065297647 569219122 /nfs/dbraw/zinc/21/91/22/569219122.db2.gz FFSANEPPGNKOKJ-UHFFFAOYSA-N 0 0 415.946 4.855 50 0 HJAARN CCN(CC)C(=O)[C@@H](Sc1nc2ccccc2c(=O)n1CC(C)C)c1ccccc1 ZINC000007111171 569221535 /nfs/dbraw/zinc/22/15/35/569221535.db2.gz ACFLEVHUFKSDLK-NRFANRHFSA-N 0 0 423.582 4.754 50 0 HJAARN CSc1ccc(-c2nnc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)o2)cc1 ZINC000036693205 569221564 /nfs/dbraw/zinc/22/15/64/569221564.db2.gz OWWQDVGHPCMZNA-UHFFFAOYSA-N 0 0 403.891 4.908 50 0 HJAARN CCOc1cc2c(cc1[C@@H]1Nc3ccccc3C(=O)N1Cc1ccco1)O[C@@H](C)C2 ZINC000007112959 569221632 /nfs/dbraw/zinc/22/16/32/569221632.db2.gz HCFKAGUULIOCIM-NPMXOYFQSA-N 0 0 404.466 4.768 50 0 HJAARN Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccco1 ZINC000007112777 569221640 /nfs/dbraw/zinc/22/16/40/569221640.db2.gz PALWLOMSKFREDD-XMMPIXPASA-N 0 0 412.493 4.908 50 0 HJAARN O=C(Nc1nc(CN2CCCCC2)cs1)c1cccnc1Sc1ccccc1 ZINC000036700701 569223234 /nfs/dbraw/zinc/22/32/34/569223234.db2.gz NXFIFHFACQVYBI-UHFFFAOYSA-N 0 0 410.568 4.928 50 0 HJAARN CCCc1nnsc1C(=O)Nc1nc2ccc3nc(SC)sc3c2s1 ZINC000036709437 569224113 /nfs/dbraw/zinc/22/41/13/569224113.db2.gz HNXKOZNAEODTCX-UHFFFAOYSA-N 0 0 407.571 4.684 50 0 HJAARN O=C(c1ccc(Cl)c(Cl)c1)N1CCC(Oc2cccc3cccnc32)CC1 ZINC000238816324 569224170 /nfs/dbraw/zinc/22/41/70/569224170.db2.gz BNZSHEXBQHPSBE-UHFFFAOYSA-N 0 0 401.293 5.225 50 0 HJAARN C[C@H]1CCc2sc(-c3nnc(SCC(=O)c4ccc5c(c4)OCO5)o3)cc2C1 ZINC000007129849 569224599 /nfs/dbraw/zinc/22/45/99/569224599.db2.gz KSMDRCOLJKXSEY-NSHDSACASA-N 0 0 414.508 4.627 50 0 HJAARN O=C(NCc1ccco1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn32)c1 ZINC000065322670 569224694 /nfs/dbraw/zinc/22/46/94/569224694.db2.gz XHAOLASAIYAGKN-UHFFFAOYSA-N 0 0 409.449 4.663 50 0 HJAARN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000007156875 569225944 /nfs/dbraw/zinc/22/59/44/569225944.db2.gz HZKVNARUPWAUGY-KHCICDEESA-N 0 0 420.553 4.662 50 0 HJAARN C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000007157671 569225967 /nfs/dbraw/zinc/22/59/67/569225967.db2.gz QQOQGYXJCRJICJ-GJZGRUSLSA-N 0 0 418.896 4.900 50 0 HJAARN COc1ccccc1-c1nnc(S[C@@H](C)c2nnc(-c3ccc(F)cc3)o2)n1C ZINC000007151477 569226639 /nfs/dbraw/zinc/22/66/39/569226639.db2.gz XWIBXWGOGBCLDX-LBPRGKRZSA-N 0 0 411.462 4.533 50 0 HJAARN COc1cc(NC(=O)c2ccco2)c(C(=O)OCc2ccccc2Cl)cc1OC ZINC000007152254 569226647 /nfs/dbraw/zinc/22/66/47/569226647.db2.gz MZSLESONPIEVKP-UHFFFAOYSA-N 0 0 415.829 4.560 50 0 HJAARN C[C@H](Sc1nc(C(F)(F)F)nc2ccccc21)C(=O)N(C)Cc1ccccc1 ZINC000007160779 569226745 /nfs/dbraw/zinc/22/67/45/569226745.db2.gz OOTQUUXVROAKHF-ZDUSSCGKSA-N 0 0 405.445 4.788 50 0 HJAARN CCCc1nc(C(C)(C)NC(=O)c2sc(-c3ccc(OCC)cc3)nc2C)no1 ZINC000065407596 569228798 /nfs/dbraw/zinc/22/87/98/569228798.db2.gz MTRVZSSCTWDTHM-UHFFFAOYSA-N 0 0 414.531 4.518 50 0 HJAARN O=C(NC[C@](O)(c1ccoc1)c1cccs1)C1c2ccccc2Oc2ccccc21 ZINC000238958043 569228899 /nfs/dbraw/zinc/22/88/99/569228899.db2.gz YDXXHIDRIFJVBJ-DEOSSOPVSA-N 0 0 417.486 4.631 50 0 HJAARN CCc1cc2c(CSc3nnc(-c4cccs4)n3CC)cc(=O)oc2cc1O ZINC000036818860 569229394 /nfs/dbraw/zinc/22/93/94/569229394.db2.gz UKQLZTFAZZQFBU-UHFFFAOYSA-N 0 0 413.524 4.693 50 0 HJAARN O=C(Nc1ccc(Oc2ccccc2Cl)cc1)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000036837499 569230096 /nfs/dbraw/zinc/23/00/96/569230096.db2.gz ZZSVRUKSOYPZKI-CZUORRHYSA-N 0 0 412.795 4.528 50 0 HJAARN CCc1ccc(C(=O)[C@@H](C)Sc2nnc(COc3ccc(Cl)cc3)n2C)cc1 ZINC000007236265 569230105 /nfs/dbraw/zinc/23/01/05/569230105.db2.gz GOUSRCXEBGXCDN-CQSZACIVSA-N 0 0 415.946 4.973 50 0 HJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000007239944 569230308 /nfs/dbraw/zinc/23/03/08/569230308.db2.gz AKVUYIBLQSOJAS-XMMPIXPASA-N 0 0 403.526 4.970 50 0 HJAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000007329475 569233810 /nfs/dbraw/zinc/23/38/10/569233810.db2.gz PTPRABSHDNQHCT-ZWKOTPCHSA-N 0 0 422.554 4.658 50 0 HJAARN O=C(Nc1ccccc1Cc1ccccc1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000007344703 569234589 /nfs/dbraw/zinc/23/45/89/569234589.db2.gz PPNMXQKAAFQVTD-OAQYLSRUSA-N 0 0 418.924 4.918 50 0 HJAARN CCn1c(S[C@H](C(=O)NC2CC2)c2ccccc2)nnc1-c1cccc(Cl)c1 ZINC000007501825 569243386 /nfs/dbraw/zinc/24/33/86/569243386.db2.gz MSBBWBLHTDNPMJ-SFHVURJKSA-N 0 0 412.946 4.730 50 0 HJAARN CCn1c(Cc2ccccc2)nnc1SCc1nc(-c2cccc(Cl)c2)no1 ZINC000007501979 569243390 /nfs/dbraw/zinc/24/33/90/569243390.db2.gz MSQGUSHGOFXNEG-UHFFFAOYSA-N 0 0 411.918 4.885 50 0 HJAARN Cc1nnc2ccc(-c3ccc(NC(=O)Cc4ccc(-c5ccccc5)cc4)cc3)nn12 ZINC000007510132 569243753 /nfs/dbraw/zinc/24/37/53/569243753.db2.gz VQEAMEPGSYVSQQ-UHFFFAOYSA-N 0 0 419.488 4.948 50 0 HJAARN Cc1ccc(NC(=S)NCc2ccccc2)cc1NC(=S)NCc1ccccc1 ZINC000007526431 569246013 /nfs/dbraw/zinc/24/60/13/569246013.db2.gz NWFYANZAELDMRS-UHFFFAOYSA-N 0 0 420.607 4.968 50 0 HJAARN CCC(=O)N(Cc1ccc(F)cc1)c1ccc(CC(=O)NCc2cccc(C)c2)cc1 ZINC000037279365 569246141 /nfs/dbraw/zinc/24/61/41/569246141.db2.gz SYBAIGOFXXUSKS-UHFFFAOYSA-N 0 0 418.512 4.936 50 0 HJAARN COc1ccc(C2=NN(C(C)=O)[C@H](c3cc4cccc(OC)c4nc3Cl)C2)cc1 ZINC000170612608 569246580 /nfs/dbraw/zinc/24/65/80/569246580.db2.gz HHGLLDVBTRIVBO-IBGZPJMESA-N 0 0 409.873 4.603 50 0 HJAARN O=C(CC1CCCCC1)NC1CCC(C(=O)N2CCC[C@@]3(CC=CCC3)C2)CC1 ZINC000170626850 569250509 /nfs/dbraw/zinc/25/05/09/569250509.db2.gz RCPLPNHQGVWCTE-OWWUNANSSA-N 0 0 400.607 4.981 50 0 HJAARN Cc1noc(C)c1[C@H](C)NC(=O)c1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1 ZINC000170626628 569250512 /nfs/dbraw/zinc/25/05/12/569250512.db2.gz YBNVWWXWLJLTLN-AWEZNQCLSA-N 0 0 402.454 4.808 50 0 HJAARN CCOC(=O)[C@H](c1cc(C)cc(C)c1)[C@@H]1C=C[C@@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC000037341147 569251035 /nfs/dbraw/zinc/25/10/35/569251035.db2.gz VVLFIVIBZTYUJL-PERKRYKHSA-N 0 0 413.464 4.603 50 0 HJAARN CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc(C(F)(F)F)nc3ccccc32)c1 ZINC000009883336 569251416 /nfs/dbraw/zinc/25/14/16/569251416.db2.gz GKXJPYMLLIRTFT-GFCCVEGCSA-N 0 0 419.428 4.971 50 0 HJAARN COc1cc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCC2)cc(OC)c1OC ZINC000071289140 569252499 /nfs/dbraw/zinc/25/24/99/569252499.db2.gz IEUSBGBFJMHBGC-GOSISDBHSA-N 0 0 403.504 4.616 50 0 HJAARN Cc1nc(-c2ccccc2Cl)sc1C(=O)Nc1nnc([C@H]2CCCO2)s1 ZINC000071282885 569252592 /nfs/dbraw/zinc/25/25/92/569252592.db2.gz DQVRVCWGATYNHI-GFCCVEGCSA-N 0 0 406.920 4.727 50 0 HJAARN COc1ccc(C(=O)N2c3ncnn3[C@H](c3ccccc3)C[C@@H]2c2ccc(C)cc2)cc1 ZINC000010059786 569252985 /nfs/dbraw/zinc/25/29/85/569252985.db2.gz YVWBZGLDWIYNMC-RPWUZVMVSA-N 0 0 424.504 4.976 50 0 HJAARN COc1ccc([C@@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)c2ccccc2C)cc1 ZINC000010060285 569253080 /nfs/dbraw/zinc/25/30/80/569253080.db2.gz NJIPMGIWEREARI-ZEQRLZLVSA-N 0 0 424.504 4.976 50 0 HJAARN COc1cccc(C(=O)N2c3ncnn3[C@@H](c3ccc(C)cc3)C[C@H]2c2ccccc2)c1 ZINC000010060310 569253127 /nfs/dbraw/zinc/25/31/27/569253127.db2.gz YFKWNKXERRLMPB-BJKOFHAPSA-N 0 0 424.504 4.976 50 0 HJAARN COc1cccc(C(=O)N2c3ncnn3[C@H](c3ccc(C)cc3)C[C@@H]2c2ccccc2)c1 ZINC000010060307 569253132 /nfs/dbraw/zinc/25/31/32/569253132.db2.gz YFKWNKXERRLMPB-RPWUZVMVSA-N 0 0 424.504 4.976 50 0 HJAARN O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)NCC1(c2ccccc2)CCC1 ZINC000010117112 569253163 /nfs/dbraw/zinc/25/31/63/569253163.db2.gz MLXOSDLAMNFNMF-UHFFFAOYSA-N 0 0 419.525 4.983 50 0 HJAARN COc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)cc1OC ZINC000010220408 569253354 /nfs/dbraw/zinc/25/33/54/569253354.db2.gz PYDVNSSQWPYEBS-UHFFFAOYSA-N 0 0 422.872 4.652 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)cc1 ZINC000010220420 569253362 /nfs/dbraw/zinc/25/33/62/569253362.db2.gz CTJPGSMFSHOORI-UHFFFAOYSA-N 0 0 419.872 4.593 50 0 HJAARN O=C(Cc1ccccc1F)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21 ZINC000071821438 569254515 /nfs/dbraw/zinc/25/45/15/569254515.db2.gz ULBCAIRMYHAUOZ-UHFFFAOYSA-N 0 0 406.432 4.739 50 0 HJAARN O=C(Nc1ccc(Br)cc1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000013324924 569255018 /nfs/dbraw/zinc/25/50/18/569255018.db2.gz FCDCTKZPYXTMST-UHFFFAOYSA-N 0 0 414.756 4.514 50 0 HJAARN CCc1cccc(C)c1NC(=O)[C@H](Sc1ncnc2[nH]cnc21)c1ccccc1 ZINC000013572713 569256068 /nfs/dbraw/zinc/25/60/68/569256068.db2.gz KHQNWRBFWWDWBH-LJQANCHMSA-N 0 0 403.511 4.696 50 0 HJAARN O=C(Cc1ccc(NC(=O)c2c(F)cccc2Cl)cc1)NCc1cccs1 ZINC000013716628 569257530 /nfs/dbraw/zinc/25/75/30/569257530.db2.gz GGOUYDFVWAVPTN-UHFFFAOYSA-N 0 0 402.878 4.652 50 0 HJAARN CCC[C@@H](NC(=O)Cn1c(=S)[nH]nc1-c1ccc(Cl)cc1)c1ccccc1 ZINC000014196939 569258884 /nfs/dbraw/zinc/25/88/84/569258884.db2.gz LFMWLSAUHRAXAJ-QGZVFWFLSA-N 0 0 400.935 4.919 50 0 HJAARN C[C@@H](NC(=O)COc1ccc(F)c2c1C(=O)C[C@H]2C)c1ccc(Br)cc1 ZINC000014369384 569259689 /nfs/dbraw/zinc/25/96/89/569259689.db2.gz CKDWRKZVPVJEHW-VXGBXAGGSA-N 0 0 420.278 4.534 50 0 HJAARN Cc1cc(C(=O)Nc2sc(-c3ccccc3)c(C)c2C(=O)N2CCOCC2)c(C)o1 ZINC000014389946 569259894 /nfs/dbraw/zinc/25/98/94/569259894.db2.gz VWHUBYKMQVJIGD-UHFFFAOYSA-N 0 0 424.522 4.658 50 0 HJAARN COc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccccc2)cc1 ZINC000014609666 569260720 /nfs/dbraw/zinc/26/07/20/569260720.db2.gz MMWXJHIDPJKBMU-UHFFFAOYSA-N 0 0 404.857 4.849 50 0 HJAARN COc1ccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2ccccc2Cl)cc1 ZINC000014610090 569260899 /nfs/dbraw/zinc/26/08/99/569260899.db2.gz LSHOOKCZSHMNOW-UHFFFAOYSA-N 0 0 422.847 4.988 50 0 HJAARN C[C@@H](C(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1)n1ccnc1-c1ccccc1 ZINC000089598234 569261013 /nfs/dbraw/zinc/26/10/13/569261013.db2.gz ZZWPSALMPPDWEQ-INIZCTEOSA-N 0 0 405.889 4.648 50 0 HJAARN CC(=O)N(c1nc(CN2CCN(C)C[C@@H]2c2ccccc2)cs1)c1ccc(C)cc1 ZINC000089633319 569261454 /nfs/dbraw/zinc/26/14/54/569261454.db2.gz UYFWCWJCQVDDDO-HSZRJFAPSA-N 0 0 420.582 4.625 50 0 HJAARN NC(=O)c1cc(Cl)ccc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000089768342 569263675 /nfs/dbraw/zinc/26/36/75/569263675.db2.gz CIHZXVIJXAJLFR-UHFFFAOYSA-N 0 0 410.701 4.729 50 0 HJAARN CC(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)cc1 ZINC000016838142 569263876 /nfs/dbraw/zinc/26/38/76/569263876.db2.gz UQZLRHSDNKPOAH-UHFFFAOYSA-N 0 0 422.506 4.993 50 0 HJAARN COc1ccccc1NC(=O)CSc1ncc(-c2cccc(Br)c2)o1 ZINC000016841108 569264531 /nfs/dbraw/zinc/26/45/31/569264531.db2.gz LHJWUQDMHZIDEK-UHFFFAOYSA-N 0 0 419.300 4.844 50 0 HJAARN COc1ccc2cc(C(=O)Nc3ccccc3C(=O)N3C[C@H](C)C[C@H](C)C3)[nH]c2c1 ZINC000089920253 569268807 /nfs/dbraw/zinc/26/88/07/569268807.db2.gz RENCQXYIAVSQRO-IYBDPMFKSA-N 0 0 405.498 4.547 50 0 HJAARN CC[C@H](NC(=O)c1cnc(-c2ccccc2)s1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000089941944 569269402 /nfs/dbraw/zinc/26/94/02/569269402.db2.gz WJKZLWVLLLYYAT-FPOVZHCZSA-N 0 0 417.538 4.508 50 0 HJAARN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)ccc1F ZINC000017011194 569271454 /nfs/dbraw/zinc/27/14/54/569271454.db2.gz GEHNQEBHRFROKO-UHFFFAOYSA-N 0 0 424.497 4.528 50 0 HJAARN Cc1cc(Oc2cc(N3CCN(C(=O)c4ccccc4)[C@@H](C)C3)ncn2)ccc1Cl ZINC000037356114 569272389 /nfs/dbraw/zinc/27/23/89/569272389.db2.gz UCXDGFSWZSZZKQ-KRWDZBQOSA-N 0 0 422.916 4.582 50 0 HJAARN Cc1ccc(CN2CCN(c3cc(Oc4ccc(Cl)c(C)c4)ncn3)CC2)cc1 ZINC000037357467 569274831 /nfs/dbraw/zinc/27/48/31/569274831.db2.gz JOQMORUXHRNAAF-UHFFFAOYSA-N 0 0 408.933 4.861 50 0 HJAARN COc1cccc(NC2CCN(C(=O)c3cc(-c4cccc(Cl)c4)on3)CC2)c1 ZINC000170633763 569274863 /nfs/dbraw/zinc/27/48/63/569274863.db2.gz NSBRADCDMZEENU-UHFFFAOYSA-N 0 0 411.889 4.720 50 0 HJAARN Cn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccco1 ZINC000000780191 569276715 /nfs/dbraw/zinc/27/67/15/569276715.db2.gz MRSCMOKLJBTLEY-UHFFFAOYSA-N 0 0 420.519 4.997 50 0 HJAARN CC[C@H]1CCCCN1C(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000001056766 569277105 /nfs/dbraw/zinc/27/71/05/569277105.db2.gz ACQPWUWZDOSVGP-HNNXBMFYSA-N 0 0 402.420 4.820 50 0 HJAARN COc1ccc(CCNC(=O)C[C@@H](c2ccccc2)c2cc(C)ccc2O)cc1OC ZINC000002093647 569280695 /nfs/dbraw/zinc/28/06/95/569280695.db2.gz QMCCDCLMXCRIPB-NRFANRHFSA-N 0 0 419.521 4.599 50 0 biogenic HJAARN Cc1nn(C)c(C)c1OC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C ZINC000170639179 569281228 /nfs/dbraw/zinc/28/12/28/569281228.db2.gz HKHGIRHQCORPPK-UHFFFAOYSA-N 0 0 403.486 4.557 50 0 HJAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1c2ccccc2N(C)CC[C@H]1C ZINC000170639159 569281269 /nfs/dbraw/zinc/28/12/69/569281269.db2.gz IUBIKDCNKJWJJQ-OAHLLOKOSA-N 0 0 409.511 4.777 50 0 HJAARN CCN(CC)C(=O)CSc1nnc(SCc2cccc3ccccc32)s1 ZINC000001088223 569282377 /nfs/dbraw/zinc/28/23/77/569282377.db2.gz BNWXICCBUHCOKF-UHFFFAOYSA-N 0 0 403.598 4.944 50 0 HJAARN COc1ccc(OC)c(C(=O)CSc2nnc(SCc3ccccc3)s2)c1 ZINC000002506956 569282728 /nfs/dbraw/zinc/28/27/28/569282728.db2.gz SGHMANLVQYSGGR-UHFFFAOYSA-N 0 0 418.565 4.823 50 0 HJAARN CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc(/C=C3/SC(=N)NC3=O)cc2)cc1 ZINC000033630545 569282989 /nfs/dbraw/zinc/28/29/89/569282989.db2.gz QOIFDBXJJMGWRX-MZZBYLLYSA-N 0 0 406.507 4.742 50 0 HJAARN Cc1cccc(-n2nc3nc(N4CCC(C)CC4)nc(-c4cccc(F)c4)c3c2N)c1 ZINC000037359792 569283452 /nfs/dbraw/zinc/28/34/52/569283452.db2.gz NUSYABVTGHCIOB-UHFFFAOYSA-N 0 0 416.504 4.749 50 0 HJAARN Cc1cc(Br)ccc1N1COc2ccc3c(C)c(C)c(=O)oc3c2C1 ZINC000002120534 569285338 /nfs/dbraw/zinc/28/53/38/569285338.db2.gz IYVCGLYLIXLWHS-UHFFFAOYSA-N 0 0 400.272 4.837 50 0 biogenic HJAARN CCCOC(=O)c1ccc(N2COc3ccc4c(CCC)cc(=O)oc4c3C2)cc1 ZINC000002126058 569286245 /nfs/dbraw/zinc/28/62/45/569286245.db2.gz ZMLDGNRGCRQMOQ-UHFFFAOYSA-N 0 0 407.466 4.669 50 0 biogenic HJAARN COc1ccc([C@@H]2CC(=O)c3ccccc3O2)cc1COc1ccc(NC(C)=O)cc1 ZINC000002134218 569287597 /nfs/dbraw/zinc/28/75/97/569287597.db2.gz YFLTXNDZGXSPKY-VWLOTQADSA-N 0 0 417.461 4.939 50 0 biogenic HJAARN Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc12 ZINC000002148905 569289875 /nfs/dbraw/zinc/28/98/75/569289875.db2.gz PYEQMYCQGYXPJN-UHFFFAOYSA-N 0 0 411.763 4.791 50 0 biogenic HJAARN CCc1c(C)c2ccc(OCC(=O)c3c(C)n(C)c4ccc(OC)cc43)cc2oc1=O ZINC000002150615 569289991 /nfs/dbraw/zinc/28/99/91/569289991.db2.gz QYBWWLNPGAMMAZ-UHFFFAOYSA-N 0 0 419.477 4.734 50 0 biogenic HJAARN CC(C)n1c2ccc(C(=O)N(C)[C@@H]3[C@H]4CCO[C@H]4C3(C)C)cc2nc1C(F)(F)F ZINC000252516409 569292125 /nfs/dbraw/zinc/29/21/25/569292125.db2.gz SJIKECIKEAXFPB-KBRIMQKVSA-N 0 0 409.452 4.522 50 0 HJAARN COc1ccc2cnnc(SCC(=O)Nc3ccc(Cl)cc3Cl)c2c1OC ZINC000002203169 569295630 /nfs/dbraw/zinc/29/56/30/569295630.db2.gz RSYRYARNBHJTJW-UHFFFAOYSA-N 0 0 424.309 4.685 50 0 HJAARN CCOc1ccccc1NC(=O)[C@H](Sc1nnc(C)n1C1CC1)c1ccccc1 ZINC000007617389 569295991 /nfs/dbraw/zinc/29/59/91/569295991.db2.gz WMORCEOJGWHTCL-HXUWFJFHSA-N 0 0 408.527 4.792 50 0 HJAARN CCCCCCOC(=O)c1c(N)n(CCCOC(C)C)c2nc3ccccc3nc12 ZINC000002207197 569296645 /nfs/dbraw/zinc/29/66/45/569296645.db2.gz KLWOFBMFVKOKBZ-UHFFFAOYSA-N 0 0 412.534 4.719 50 0 HJAARN Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2ccc(F)cc2)cc1 ZINC000002206126 569296682 /nfs/dbraw/zinc/29/66/82/569296682.db2.gz PVFZEXPBJVVRRR-UHFFFAOYSA-N 0 0 413.452 4.908 50 0 HJAARN CC[C@H](C(=O)NCCOC)n1c(Cc2c(Cl)cccc2Cl)nc2ccccc21 ZINC000037398609 569297104 /nfs/dbraw/zinc/29/71/04/569297104.db2.gz CWXVFMGMUQPNQN-GOSISDBHSA-N 0 0 420.340 4.648 50 0 HJAARN O=C(Cc1c[nH]c2ccccc12)NCCSCc1ccc(Br)s1 ZINC000007649164 569298599 /nfs/dbraw/zinc/29/85/99/569298599.db2.gz DBDUINJJALJCEU-UHFFFAOYSA-N 0 0 409.374 4.584 50 0 HJAARN CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O ZINC000007667089 569299517 /nfs/dbraw/zinc/29/95/17/569299517.db2.gz KBDIYRMVLCXPMY-INIZCTEOSA-N 0 0 414.571 4.896 50 0 HJAARN CCNC(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037442316 569299746 /nfs/dbraw/zinc/29/97/46/569299746.db2.gz MFVKAMAXOVXOQK-GOSISDBHSA-N 0 0 423.410 4.569 50 0 HJAARN NC(=O)c1c2c(sc1NC(=O)CCCCc1nc3ccccc3s1)CCCC2 ZINC000007717890 569302094 /nfs/dbraw/zinc/30/20/94/569302094.db2.gz PRVZWLGYEFUWFJ-UHFFFAOYSA-N 0 0 413.568 4.687 50 0 HJAARN COc1ccc(CCC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1OC ZINC000007725456 569303035 /nfs/dbraw/zinc/30/30/35/569303035.db2.gz RPNVIDPNQFWIHY-UHFFFAOYSA-N 0 0 401.466 4.818 50 0 HJAARN Cc1cc(NC(=O)CN(Cc2ccco2)Cc2ccco2)ccc1Br ZINC000007725775 569303257 /nfs/dbraw/zinc/30/32/57/569303257.db2.gz QLSDVPCQZMJTTN-UHFFFAOYSA-N 0 0 403.276 4.584 50 0 HJAARN CC(=O)c1cccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)Cc2cccs2)c1 ZINC000007735562 569304549 /nfs/dbraw/zinc/30/45/49/569304549.db2.gz NZUOXIRQDSYVTJ-SFHVURJKSA-N 0 0 407.535 4.990 50 0 HJAARN COc1ccc(Cn2c(C(=O)NCC3CC3)cc3sc(Br)cc32)cc1 ZINC000037543233 569305252 /nfs/dbraw/zinc/30/52/52/569305252.db2.gz WWIMRUCJVOMETJ-UHFFFAOYSA-N 0 0 419.344 4.662 50 0 HJAARN CC(C)OCCCNc1ncnc2c1oc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 ZINC000002210276 569306152 /nfs/dbraw/zinc/30/61/52/569306152.db2.gz JTPSFVRSDUJDOS-UHFFFAOYSA-N 0 0 412.534 4.973 50 0 HJAARN CCCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@@H](c1ccc(C)cc1)N(C(=O)CC)CC2 ZINC000037602407 569309251 /nfs/dbraw/zinc/30/92/51/569309251.db2.gz IBBOWLCBDPSULN-ILBGXUMGSA-N 0 0 422.569 4.563 50 0 HJAARN COc1ccc(O)c(C(=O)c2cc(-c3nnc(-c4ccccc4)o3)n(C(C)C)c2)c1 ZINC000007778794 569309286 /nfs/dbraw/zinc/30/92/86/569309286.db2.gz MHVRDQRCAILZPL-UHFFFAOYSA-N 0 0 403.438 4.731 50 0 HJAARN CCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)CC(C)C)CC2 ZINC000037601915 569309337 /nfs/dbraw/zinc/30/93/37/569309337.db2.gz GDUMJAAPNOZYKG-UKILVPOCSA-N 0 0 422.569 4.500 50 0 HJAARN COc1cc(OC)cc(-c2nnc(S[C@H](C)c3nnc(-c4ccccc4)o3)o2)c1 ZINC000007780827 569310083 /nfs/dbraw/zinc/31/00/83/569310083.db2.gz PNJLSXWXMYSRPP-GFCCVEGCSA-N 0 0 410.455 4.657 50 0 HJAARN O=C(CSc1ccc(Br)cc1)OCC(=O)c1ccc(Cl)s1 ZINC000007783924 569310196 /nfs/dbraw/zinc/31/01/96/569310196.db2.gz HBQFKDPZNLUEAI-UHFFFAOYSA-N 0 0 405.722 4.682 50 0 HJAARN Cc1ccc(C(=O)N2CCN(c3cc(Oc4cc(C)ccc4Cl)ncn3)CC2)cc1 ZINC000037623842 569310749 /nfs/dbraw/zinc/31/07/49/569310749.db2.gz JWQOZCHMBQZKQB-UHFFFAOYSA-N 0 0 422.916 4.502 50 0 HJAARN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccccc1Br ZINC000007797894 569311071 /nfs/dbraw/zinc/31/10/71/569311071.db2.gz PPZZAMTYWVDUDI-GOSISDBHSA-N 0 0 407.739 4.669 50 0 HJAARN CC(C)[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccc2c(c1)OCCCO2 ZINC000007814409 569312557 /nfs/dbraw/zinc/31/25/57/569312557.db2.gz HMZLRYQVDCHOTL-YCRPNKLZSA-N 0 0 403.906 4.782 50 0 HJAARN Cc1cccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)o2)c1 ZINC000007834418 569314005 /nfs/dbraw/zinc/31/40/05/569314005.db2.gz SHHMNWKYILSEIJ-INIZCTEOSA-N 0 0 407.539 4.893 50 0 HJAARN CCn1c(C)cc(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)c1C ZINC000007844223 569314209 /nfs/dbraw/zinc/31/42/09/569314209.db2.gz RHHYYNAERYODJY-UHFFFAOYSA-N 0 0 400.573 4.679 50 0 HJAARN Cc1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n2C)c1 ZINC000002227015 569315327 /nfs/dbraw/zinc/31/53/27/569315327.db2.gz OYKUAQQNVQUQNQ-UHFFFAOYSA-N 0 0 407.326 4.828 50 0 HJAARN C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000007903769 569320445 /nfs/dbraw/zinc/32/04/45/569320445.db2.gz WVKCVRNMXDVJEK-MRXNPFEDSA-N 0 0 418.566 4.877 50 0 HJAARN CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Br)cc1 ZINC000002264035 569325448 /nfs/dbraw/zinc/32/54/48/569325448.db2.gz ZFWMWIUCNBPDOG-KOSHJBKYSA-N 0 0 412.264 4.535 50 0 HJAARN CC[C@H](COC(=O)Nc1ccccc1)N1C(=O)CS[C@@H]1c1ccc(Cl)cc1 ZINC000002266334 569325792 /nfs/dbraw/zinc/32/57/92/569325792.db2.gz OEOUKJYIXQKSIE-IEBWSBKVSA-N 0 0 404.919 4.941 50 0 HJAARN Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1CCC1=CCCCC1 ZINC000002253807 569326090 /nfs/dbraw/zinc/32/60/90/569326090.db2.gz YQDMGJOJDABLOT-UHFFFAOYSA-N 0 0 403.530 4.730 50 0 HJAARN COc1ccccc1C(=O)Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 ZINC000002253699 569326105 /nfs/dbraw/zinc/32/61/05/569326105.db2.gz BYOCCQOHMNJGBP-UHFFFAOYSA-N 0 0 421.460 4.719 50 0 HJAARN O=C(Cc1cccc(O[C@@H]2CCCCO2)c1)c1cc(O[C@H]2CCCCO2)ccc1O ZINC000144223172 569359521 /nfs/dbraw/zinc/35/95/21/569359521.db2.gz ZLDYHZMSPOICHG-RPWUZVMVSA-N 0 0 412.482 4.628 50 0 HJAARN O=C1C[C@@H](c2cccc(O)c2)c2c(ccc3c(=O)c(-c4ccc(F)cc4)coc32)O1 ZINC000253414826 569366978 /nfs/dbraw/zinc/36/69/78/569366978.db2.gz YSOTZFBFYODJOJ-SFHVURJKSA-N 0 0 402.377 4.746 50 0 biogenic HJAARN CC1CCN(c2nnc(SCc3cnc4ccccc4c3)n2C[C@@H]2CCCO2)CC1 ZINC000253420111 569367838 /nfs/dbraw/zinc/36/78/38/569367838.db2.gz MEQDNIJKWRPGSQ-FQEVSTJZSA-N 0 0 423.586 4.534 50 0 HJAARN Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CCC1=CCCCC1 ZINC000002291654 569369151 /nfs/dbraw/zinc/36/91/51/569369151.db2.gz BJOYVUVSMQTMTN-UHFFFAOYSA-N 0 0 415.497 4.580 50 0 HJAARN CC[C@]1(C)Cc2c(sc3nc(SCc4ccc(OC)cc4)nc(N)c23)CO1 ZINC000002297845 569369593 /nfs/dbraw/zinc/36/95/93/569369593.db2.gz IAEYVGKKBJLEEI-HXUWFJFHSA-N 0 0 401.557 4.816 50 0 HJAARN CCOc1ccccc1OCCn1c(=O)c2ccccc2nc1-c1ccc(OC)cc1 ZINC000002343799 569376497 /nfs/dbraw/zinc/37/64/97/569376497.db2.gz MWTOQFVPZFWAAI-UHFFFAOYSA-N 0 0 416.477 4.550 50 0 HJAARN CCCCCOC(=O)c1c(N)n(-c2ccc(OCC)cc2)c2nc3ccccc3nc21 ZINC000002345387 569379299 /nfs/dbraw/zinc/37/92/99/569379299.db2.gz QQRDFXJKTRFMEE-UHFFFAOYSA-N 0 0 418.497 4.902 50 0 HJAARN Cc1cccc(-n2c(N)c(C(=O)N[C@H](C)c3ccccc3)c3nc4ccccc4nc32)c1 ZINC000002347379 569379434 /nfs/dbraw/zinc/37/94/34/569379434.db2.gz CMLXPEMBXQYLSS-QGZVFWFLSA-N 0 0 421.504 4.955 50 0 HJAARN COc1ccc(-c2c(=O)c3ccccc3n(C)c2NC(=O)c2ccc(F)cc2)cc1 ZINC000002352915 569383290 /nfs/dbraw/zinc/38/32/90/569383290.db2.gz WLCPOWSVZUDWNY-UHFFFAOYSA-N 0 0 402.425 4.606 50 0 HJAARN O=C(N[C@H](Nc1nc2ccccc2s1)C(Cl)(Cl)Cl)c1cccs1 ZINC000002374343 569389281 /nfs/dbraw/zinc/38/92/81/569389281.db2.gz WUONLEDDHHKSHC-GFCCVEGCSA-N 0 0 406.747 4.896 50 0 HJAARN COCCCN(C(=O)c1cc2c(s1)-c1ccccc1OC2)[C@H](C)c1ccncc1 ZINC000013369712 569389901 /nfs/dbraw/zinc/38/99/01/569389901.db2.gz XPCOYPIRBHRLRN-MRXNPFEDSA-N 0 0 408.523 4.942 50 0 HJAARN CSCC[C@H]1NC(=S)N(c2ccc(-c3ccccc3)c(C(F)(F)F)c2)C1=O ZINC000055180324 569392260 /nfs/dbraw/zinc/39/22/60/569392260.db2.gz KQCBJAFVWSAQKV-MRXNPFEDSA-N 0 0 410.486 4.715 50 0 HJAARN CCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Br)cc1 ZINC000002388813 569392471 /nfs/dbraw/zinc/39/24/71/569392471.db2.gz XPCMLOKOPQEVDL-MHECFPHRSA-N 0 0 412.264 4.536 50 0 HJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc(F)c2)N1c1nccs1 ZINC000002393380 569394118 /nfs/dbraw/zinc/39/41/18/569394118.db2.gz LQNHLGQNIIUEHW-MRXNPFEDSA-N 0 0 412.829 4.792 50 0 HJAARN COc1ccc([C@H](O)[P@@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1 ZINC000002398505 569394695 /nfs/dbraw/zinc/39/46/95/569394695.db2.gz QJBBTJIQQBXLJL-DFHRPNOPSA-N 0 0 403.459 4.705 50 0 HJAARN COc1ccc(C(=O)C2CCN(C(=O)C=Cc3c(F)cccc3Cl)CC2)cc1 ZINC000009984685 569394783 /nfs/dbraw/zinc/39/47/83/569394783.db2.gz YSVNVOAILKQYHD-MDZDMXLPSA-N 0 0 401.865 4.622 50 0 HJAARN Cc1ccc(S(=O)(=O)c2c(N)n(CCC(C)C)c3nc4ccccc4nc32)cc1C ZINC000002404247 569395874 /nfs/dbraw/zinc/39/58/74/569395874.db2.gz RVPKSJHAFZQRSR-UHFFFAOYSA-N 0 0 422.554 4.662 50 0 HJAARN CC(C)c1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000002421075 569398100 /nfs/dbraw/zinc/39/81/00/569398100.db2.gz KIWVVNZGWKXGME-AVRDEDQJSA-N 0 0 421.468 4.780 50 0 HJAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(Cl)c1)N(C[C@@H]1CCCO1)C3=O ZINC000002421838 569398184 /nfs/dbraw/zinc/39/81/84/569398184.db2.gz SGSOBPFEIVZVFE-UWJYYQICSA-N 0 0 423.896 4.787 50 0 HJAARN CSc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC(C)C)cc1 ZINC000002427523 569398718 /nfs/dbraw/zinc/39/87/18/569398718.db2.gz YKRBEEJVABSCRQ-OAQYLSRUSA-N 0 0 423.534 4.875 50 0 HJAARN CCc1oc2cc(OC(=O)C(C)(C)C)ccc2c(=O)c1-c1nc2ccccc2n1C ZINC000011867610 569399060 /nfs/dbraw/zinc/39/90/60/569399060.db2.gz CKESNOVZCXRWEB-UHFFFAOYSA-N 0 0 404.466 4.861 50 0 HJAARN CC(C)c1nc2sc3c(ncnc3SCC(=O)N3CCCC3)c2c2c1CCC2 ZINC000002433932 569399260 /nfs/dbraw/zinc/39/92/60/569399260.db2.gz DVONCHALYOEZBC-UHFFFAOYSA-N 0 0 412.584 4.566 50 0 HJAARN CC(C)OCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Cl)c1 ZINC000002434095 569399265 /nfs/dbraw/zinc/39/92/65/569399265.db2.gz NUZUUIJWCULDDR-HXUWFJFHSA-N 0 0 411.885 4.807 50 0 HJAARN COC(=O)c1ccc(CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)o1 ZINC000002437916 569399873 /nfs/dbraw/zinc/39/98/73/569399873.db2.gz YCOVAFQVYRNGIL-UHFFFAOYSA-N 0 0 421.478 4.615 50 0 HJAARN CCc1cccc(-n2c(N)c(C(=O)OC[C@@H](C)CC)c3nc4ccccc4nc32)c1 ZINC000002437463 569399974 /nfs/dbraw/zinc/39/99/74/569399974.db2.gz GCUVLORRZQYFPW-HNNXBMFYSA-N 0 0 402.498 4.921 50 0 HJAARN Cc1cc(C)c(NC(=O)CSc2ncnc3c2cnn3Cc2ccccc2)c(C)c1 ZINC000002446915 569401410 /nfs/dbraw/zinc/40/14/10/569401410.db2.gz XKPDXTOIVIKNMB-UHFFFAOYSA-N 0 0 417.538 4.531 50 0 HJAARN O=C(CCCSc1nnc(-c2cccnc2)n1Cc1ccco1)c1ccc(F)cc1 ZINC000012810420 569403753 /nfs/dbraw/zinc/40/37/53/569403753.db2.gz QQTUSIPAIOKMSP-UHFFFAOYSA-N 0 0 422.485 4.876 50 0 HJAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)O[C@H](C)C(=O)c1cccc(Cl)c1 ZINC000012815282 569403903 /nfs/dbraw/zinc/40/39/03/569403903.db2.gz BAZFYGDLLKWJGD-CYBMUJFWSA-N 0 0 403.265 4.916 50 0 HJAARN COc1ccc2[nH]cc(CCNC(=O)c3cc4cc(Br)ccc4o3)c2c1 ZINC000012893479 569404688 /nfs/dbraw/zinc/40/46/88/569404688.db2.gz MPRLSDPOILAYGX-UHFFFAOYSA-N 0 0 413.271 4.658 50 0 biogenic HJAARN O=[S@@](Cc1cc(Sc2ccccc2)nc(-c2cccnc2)n1)c1ccccc1 ZINC000012960463 569405506 /nfs/dbraw/zinc/40/55/06/569405506.db2.gz YPJXNMNPTAARKC-MUUNZHRXSA-N 0 0 403.532 4.998 50 0 HJAARN Cc1cc(C)n(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4F)cc3)nn2)n1 ZINC000013009847 569407069 /nfs/dbraw/zinc/40/70/69/569407069.db2.gz PLFBKVWSSWAJRK-UHFFFAOYSA-N 0 0 420.423 4.553 50 0 HJAARN Cc1oc(-c2ccccc2)nc1CSCC(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000013018773 569407431 /nfs/dbraw/zinc/40/74/31/569407431.db2.gz GMBPAGPGGKCTQD-UHFFFAOYSA-N 0 0 421.522 4.647 50 0 HJAARN CCOc1ccc(N2C[C@@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2=O)cc1 ZINC000013036964 569407614 /nfs/dbraw/zinc/40/76/14/569407614.db2.gz XPWHBUHKDCECFQ-AWEZNQCLSA-N 0 0 417.387 4.675 50 0 HJAARN COc1cccc2c1O[C@H](c1ccc3c(c1)OCO3)N1N=C(c3cccs3)C[C@@H]21 ZINC000013036502 569407649 /nfs/dbraw/zinc/40/76/49/569407649.db2.gz YTNPAFNRCZQCGT-KSFYIVLOSA-N 0 0 406.463 4.728 50 0 HJAARN CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Oc2cccc(F)c2)c1 ZINC000013096929 569408868 /nfs/dbraw/zinc/40/88/68/569408868.db2.gz FYLLPQORPMYZQW-UHFFFAOYSA-N 0 0 419.861 4.523 50 0 HJAARN Cc1cccc(NS(=O)(=O)c2cc(N[C@@H](C)C(=O)Nc3ccccc3)ccc2C)c1 ZINC000013096997 569408914 /nfs/dbraw/zinc/40/89/14/569408914.db2.gz VEKQTWQRKSMMSW-SFHVURJKSA-N 0 0 423.538 4.543 50 0 HJAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O ZINC000013165342 569410309 /nfs/dbraw/zinc/41/03/09/569410309.db2.gz ZCJMZMKGDCDUAZ-UHFFFAOYSA-N 0 0 424.378 4.754 50 0 HJAARN O=C(CCCc1ccccc1)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccc(F)cc1 ZINC000002456646 569410610 /nfs/dbraw/zinc/41/06/10/569410610.db2.gz CKQWKGXICSDFTL-RUZDIDTESA-N 0 0 420.459 4.858 50 0 HJAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CC=C(c4ccccc4)CC3)c2)cs1 ZINC000013358029 569411543 /nfs/dbraw/zinc/41/15/43/569411543.db2.gz BAPCJEGKAQVCGY-UHFFFAOYSA-N 0 0 410.564 4.905 50 0 HJAARN COc1ccc(CNC(=O)Nc2ccc(F)c(-c3nnc(-c4ccccc4)o3)c2)cc1 ZINC000013358382 569411616 /nfs/dbraw/zinc/41/16/16/569411616.db2.gz QOVLVZUQBGNXNL-UHFFFAOYSA-N 0 0 418.428 4.873 50 0 HJAARN CCc1cccc(NC(=O)CNc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)c1 ZINC000007956945 569414131 /nfs/dbraw/zinc/41/41/31/569414131.db2.gz VBIHYUKEKSMPRA-UHFFFAOYSA-N 0 0 403.482 4.561 50 0 HJAARN O=C(c1cccc(Cl)c1Cl)N1CCNC(=O)c2ccc(Br)cc21 ZINC000328597235 569416211 /nfs/dbraw/zinc/41/62/11/569416211.db2.gz GCPKFSFCFHAXDR-UHFFFAOYSA-N 0 0 414.086 4.721 50 0 HJAARN CN(Cc1ccsc1)C(=O)CSc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000019355459 569420182 /nfs/dbraw/zinc/42/01/82/569420182.db2.gz PZLYHGUYYXONGT-UHFFFAOYSA-N 0 0 422.373 4.651 50 0 HJAARN Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2ccc(Br)cc2F)cc1 ZINC000079026681 569424810 /nfs/dbraw/zinc/42/48/10/569424810.db2.gz LIRZXBIYIQSFMP-GFCCVEGCSA-N 0 0 402.267 4.573 50 0 HJAARN CC(=O)N1N=C(c2c(=O)[nH]c3cc(C)ccc3c2-c2ccccc2)C[C@H]1c1ccco1 ZINC000079047014 569425283 /nfs/dbraw/zinc/42/52/83/569425283.db2.gz ZIXPMRHWZKUYQA-NRFANRHFSA-N 0 0 411.461 4.794 50 0 HJAARN O=C(CSc1nnc2c3ccccc3nc(-c3ccccc3)n12)Nc1ccccc1 ZINC000019625759 569426035 /nfs/dbraw/zinc/42/60/35/569426035.db2.gz DILKPLLPXVLONW-UHFFFAOYSA-N 0 0 411.490 4.675 50 0 HJAARN C[C@H]1Oc2ccc(-c3csc(NC(=O)CCC4CCCCC4)n3)cc2N(C)C1=O ZINC000019796660 569430194 /nfs/dbraw/zinc/43/01/94/569430194.db2.gz KWZUOLWQRRFBRK-CQSZACIVSA-N 0 0 413.543 4.853 50 0 HJAARN COc1cccc(C(=O)N2CCCC[C@@H]2c2nc(-c3cccc(F)c3)c[nH]2)c1OC ZINC000079352326 569430470 /nfs/dbraw/zinc/43/04/70/569430470.db2.gz SCNVSWGBMPFFRN-LJQANCHMSA-N 0 0 409.461 4.600 50 0 HJAARN O=C(Nc1ccc(N2CCn3c(nc4ccccc43)C2)cc1Cl)c1ccccc1 ZINC000019855350 569431232 /nfs/dbraw/zinc/43/12/32/569431232.db2.gz CDRRWGPUIUQGRH-UHFFFAOYSA-N 0 0 402.885 4.962 50 0 HJAARN COc1ccc(C(=O)Nc2ccc(N3CCn4c(nc5ccccc54)C3)cc2C)cc1 ZINC000019855316 569431244 /nfs/dbraw/zinc/43/12/44/569431244.db2.gz JDLUGUFTRGKWFW-UHFFFAOYSA-N 0 0 412.493 4.626 50 0 HJAARN COc1cc(N2CCn3c(nc4ccccc43)C2)ccc1NC(=O)c1ccc(C)cc1 ZINC000019855425 569431245 /nfs/dbraw/zinc/43/12/45/569431245.db2.gz ZZDKSHUQFNKQDJ-UHFFFAOYSA-N 0 0 412.493 4.626 50 0 HJAARN CCCCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1[C@@H](CC)N(C)C ZINC000008473258 571053158 /nfs/dbraw/zinc/05/31/58/571053158.db2.gz VMLQFQLQIIUTRB-LJQANCHMSA-N 0 0 417.623 4.945 50 0 HJAARN CC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000008481071 571055171 /nfs/dbraw/zinc/05/51/71/571055171.db2.gz MXVDFIVHYXBODM-NRFANRHFSA-N 0 0 406.457 4.552 50 0 HJAARN Cc1cc(SCC(=O)NCc2ccc(Cl)cc2)nc(-c2cccc(F)c2)n1 ZINC000067257444 571056908 /nfs/dbraw/zinc/05/69/08/571056908.db2.gz VMKQJVAMWBGISQ-UHFFFAOYSA-N 0 0 401.894 4.653 50 0 HJAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2cc(F)cc(F)c2)cc1 ZINC000067258865 571057910 /nfs/dbraw/zinc/05/79/10/571057910.db2.gz VCNDIUJPKUWSBS-UHFFFAOYSA-N 0 0 410.445 4.965 50 0 HJAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCCc2ccccc2)c(OC)c1 ZINC000067258877 571058235 /nfs/dbraw/zinc/05/82/35/571058235.db2.gz BYHQDJYNQKLVOC-UHFFFAOYSA-N 0 0 418.518 4.738 50 0 HJAARN COc1cccc(-n2c(=O)c3ccccc3nc2SCc2cc(F)ccc2F)c1 ZINC000067259238 571058484 /nfs/dbraw/zinc/05/84/84/571058484.db2.gz DLUJKKBYXCNSHB-UHFFFAOYSA-N 0 0 410.445 4.965 50 0 HJAARN Cc1cccc(CSc2ncc3c(n2)-c2ccc(Cl)cc2N(C)S3(=O)=O)c1 ZINC000067260191 571059220 /nfs/dbraw/zinc/05/92/20/571059220.db2.gz OETBZOCEBGGKGW-UHFFFAOYSA-N 0 0 417.943 4.536 50 0 HJAARN Cc1ccc(Oc2cccc(NS(=O)(=O)c3ccc4cccc5c4c3CC5)c2)nn1 ZINC000038670771 571060164 /nfs/dbraw/zinc/06/01/64/571060164.db2.gz CMLOFKXDZDCASQ-UHFFFAOYSA-N 0 0 417.490 4.630 50 0 HJAARN C[C@@H](NC(=O)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1)c1ccc(F)cc1 ZINC000067261718 571060182 /nfs/dbraw/zinc/06/01/82/571060182.db2.gz WBXOWBAVKKXFOS-CQSZACIVSA-N 0 0 421.863 4.613 50 0 HJAARN O=C(NCCC1=CCCCC1)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 ZINC000067261697 571060306 /nfs/dbraw/zinc/06/03/06/571060306.db2.gz KZWJPOZRJKQHCN-UHFFFAOYSA-N 0 0 407.905 4.603 50 0 HJAARN Cc1ccccc1-c1cc2c(N3CCN(c4ccccc4Cl)CC3)nccn2n1 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COc1cc(NC(=O)NCCn2c3ccccc3nc2-c2ccccc2)cc(OC)c1 ZINC000032951392 522694161 /nfs/dbraw/zinc/69/41/61/522694161.db2.gz NOORTIZEUHETBC-UHFFFAOYSA-N 0 0 416.481 4.542 50 0 HJAARN COc1cc(NC(=O)c2ccc(Cl)c(-n3c(C)nc4cccnc43)c2)cc(OC)c1 ZINC000032932144 522723357 /nfs/dbraw/zinc/72/33/57/522723357.db2.gz YCEJVKIOPCBQAY-UHFFFAOYSA-N 0 0 422.872 4.652 50 0 HJAARN COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3nc4cnccc4o3)c2)c1 ZINC000032072035 522857443 /nfs/dbraw/zinc/85/74/43/522857443.db2.gz JJYJGNMFIAQGNG-UHFFFAOYSA-N 0 0 409.829 4.813 50 0 HJAARN CN(CCOc1ccccc1F)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000058880406 522920590 /nfs/dbraw/zinc/92/05/90/522920590.db2.gz CEAAKSGOKZFKSX-UHFFFAOYSA-N 0 0 422.382 4.573 50 0 HJAARN COc1ccc(-c2cc(-c3nnc4sc(-c5ccc(Cl)cc5)nn43)[nH]n2)cc1 ZINC000019827654 523090530 /nfs/dbraw/zinc/09/05/30/523090530.db2.gz GPWFWFYMGOSBFH-UHFFFAOYSA-N 0 0 408.874 4.572 50 0 HJAARN COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000034035937 523110664 /nfs/dbraw/zinc/11/06/64/523110664.db2.gz FNBYYFMYNRYPPC-YLOOLPOOSA-N 0 0 404.591 4.775 50 0 HJAARN COc1ccc(-c2csc(CCNC(=O)c3cccc(Br)c3)n2)cc1 ZINC000031848791 523164091 /nfs/dbraw/zinc/16/40/91/523164091.db2.gz OZRRJKZJBUDXFE-UHFFFAOYSA-N 0 0 417.328 4.554 50 0 HJAARN COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)COc1ccc(Cl)cc1 ZINC000032091390 523232199 /nfs/dbraw/zinc/23/21/99/523232199.db2.gz DGIQVDNAZVKMPD-UHFFFAOYSA-N 0 0 409.829 4.569 50 0 HJAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)n2)cc1 ZINC000032578636 523276617 /nfs/dbraw/zinc/27/66/17/523276617.db2.gz YKLQPBYYJMFPET-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN CN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000044774939 523280073 /nfs/dbraw/zinc/28/00/73/523280073.db2.gz ARGMKEIULVSZSO-DLBZAZTESA-N 0 0 406.507 4.733 50 0 HJAARN CCn1cc(C(=O)Nc2ccc(Br)cc2)c(=O)c2cc(Cl)ccc21 ZINC000032598223 523345642 /nfs/dbraw/zinc/34/56/42/523345642.db2.gz GZFVXFBXYOUCFA-UHFFFAOYSA-N 0 0 405.679 4.690 50 0 HJAARN COc1ccc(/C=C/C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c(OC)c1 ZINC000032900606 523397047 /nfs/dbraw/zinc/39/70/47/523397047.db2.gz QPGDNULFJJHIIJ-WYMLVPIESA-N 0 0 417.465 5.000 50 0 HJAARN CCc1c(C)sc2c1c1nc(-c3ccccc3)nn1c(=O)n2Cc1ccc(F)cc1 ZINC000032104166 523718158 /nfs/dbraw/zinc/71/81/58/523718158.db2.gz DLLVVLOLNCYORF-UHFFFAOYSA-N 0 0 418.497 4.831 50 0 HJAARN CC[C@H](C)NC(=O)c1ccc(-c2nc(C[S@@](=O)c3ccc(C)cc3)c(C)o2)cc1 ZINC000015682274 523998487 /nfs/dbraw/zinc/99/84/87/523998487.db2.gz STEJCBDHTCIXDE-OFJJUDJNSA-N 0 0 410.539 4.795 50 0 HJAARN CCc1ccc2nc(NC(=O)[C@H]3CC(=O)N(c4cccc(SC)c4)C3)sc2c1 ZINC000040160300 524060235 /nfs/dbraw/zinc/06/02/35/524060235.db2.gz WPOFBOPIAHOLHN-AWEZNQCLSA-N 0 0 411.552 4.572 50 0 HJAARN COc1ccc(CNC(=O)c2ccc3nc(Cc4ccccc4F)oc3c2)cc1OC ZINC000040451196 524067056 /nfs/dbraw/zinc/06/70/56/524067056.db2.gz WHZINXAEAMBMRU-UHFFFAOYSA-N 0 0 420.440 4.505 50 0 HJAARN Cc1cccc(-n2ncc3c2NC(=O)C[C@]32c3ccccc3N(CC(C)C)C2=O)c1C ZINC000032090876 524148233 /nfs/dbraw/zinc/14/82/33/524148233.db2.gz QHZVYTAUJPFNBW-VWLOTQADSA-N 0 0 414.509 4.770 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)Cc1ccc2nc(NC(=O)C(C)C)sc2c1 ZINC000032959772 524230417 /nfs/dbraw/zinc/23/04/17/524230417.db2.gz MFHIRMHJTSKZQC-UHFFFAOYSA-N 0 0 417.918 4.734 50 0 HJAARN Cc1cccc(C)c1NC(=O)Cn1c2ccccc2n2c1nc(-c1ccccc1)cc2=O ZINC000040484861 524284063 /nfs/dbraw/zinc/28/40/63/524284063.db2.gz QUIMNAXLRIMPSF-UHFFFAOYSA-N 0 0 422.488 4.572 50 0 HJAARN C[C@@H](CC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12)NC(=O)c1ccccc1 ZINC000022879090 524375430 /nfs/dbraw/zinc/37/54/30/524375430.db2.gz UTFFNRLGBKWHMU-BWSJFCHMSA-N 0 0 424.544 4.609 50 0 HJAARN Cc1cc(C)cc(NC(=O)C2CCN(c3nccnc3Oc3ccccc3)CC2)c1 ZINC000033141965 524417872 /nfs/dbraw/zinc/41/78/72/524417872.db2.gz UQLJAFMCINPLMT-UHFFFAOYSA-N 0 0 402.498 4.741 50 0 HJAARN COc1ccccc1CCNC(=O)c1ccc2nc(Cc3ccccc3F)oc2c1 ZINC000040451201 524420649 /nfs/dbraw/zinc/42/06/49/524420649.db2.gz UDRBYYCYFOLPGM-UHFFFAOYSA-N 0 0 404.441 4.539 50 0 biogenic HJAARN COc1ccc(NC(=O)COc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)cc1 ZINC000032578458 524502384 /nfs/dbraw/zinc/50/23/84/524502384.db2.gz KIPLQAOLZAHKEY-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN C[C@@H](CCc1ccccc1)NC(=O)CC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000032974441 524530187 /nfs/dbraw/zinc/53/01/87/524530187.db2.gz KUIGYSUIZRKBKW-SFHVURJKSA-N 0 0 412.961 4.720 50 0 HJAARN COc1ccccc1NC(=O)COc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000032578570 524597378 /nfs/dbraw/zinc/59/73/78/524597378.db2.gz GUTBVXFDRNJLDX-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN COc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1-c1nc(-c2ccccc2)no1 ZINC000032622311 524687709 /nfs/dbraw/zinc/68/77/09/524687709.db2.gz HQVSIJIMKIMUNO-INIZCTEOSA-N 0 0 415.449 4.818 50 0 HJAARN C[C@H](Cc1nnc(SCC(=O)N[C@@H]2CCCc3ccccc32)o1)c1ccccc1 ZINC000032957347 524766840 /nfs/dbraw/zinc/76/68/40/524766840.db2.gz LYNTZLZLYNNSRN-OXQOHEQNSA-N 0 0 407.539 4.702 50 0 HJAARN C[C@@H]1CN(CC(=O)Nc2ccccc2Oc2ccccc2)c2ccccc2NC1=O ZINC000072305666 524931653 /nfs/dbraw/zinc/93/16/53/524931653.db2.gz SRPWKXCJSKSYLN-QGZVFWFLSA-N 0 0 401.466 4.512 50 0 HJAARN Cc1ccc(N2C[C@@H](c3nc(-c4ccc(N5CCCCCC5)cc4)no3)CC2=O)cc1 ZINC000032975355 524982386 /nfs/dbraw/zinc/98/23/86/524982386.db2.gz KTNYLFZGGOSKCP-FQEVSTJZSA-N 0 0 416.525 4.946 50 0 HJAARN Cc1ccc(NC(=O)C2CCN(c3nccnc3Oc3ccccc3)CC2)cc1C ZINC000033141964 525028083 /nfs/dbraw/zinc/02/80/83/525028083.db2.gz JZVVKNBUGIZFRI-UHFFFAOYSA-N 0 0 402.498 4.741 50 0 HJAARN Cc1ccc(NC(=O)C2CCN(c3nccnc3Oc3cccc(C)c3)CC2)cc1 ZINC000033142051 525029166 /nfs/dbraw/zinc/02/91/66/525029166.db2.gz BPQRZJVTGIHTEN-UHFFFAOYSA-N 0 0 402.498 4.741 50 0 HJAARN C[C@@H](NC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1Cl ZINC000032862964 525225616 /nfs/dbraw/zinc/22/56/16/525225616.db2.gz CHPUDKYHFOFVRZ-NWDGAFQWSA-N 0 0 415.342 4.518 50 0 HJAARN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cccc(N2CCCC2=O)c1 ZINC000044759147 525246322 /nfs/dbraw/zinc/24/63/22/525246322.db2.gz YZHCMOTZXQPXOT-UHFFFAOYSA-N 0 0 413.477 4.626 50 0 HJAARN Cc1cc(NC(=O)c2nc(NCc3ccco3)ncc2Cl)ccc1Br ZINC000032915738 525261144 /nfs/dbraw/zinc/26/11/44/525261144.db2.gz WPZWCLBXZFRNGO-UHFFFAOYSA-N 0 0 421.682 4.658 50 0 HJAARN CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)cc1 ZINC000003410902 534850569 /nfs/dbraw/zinc/85/05/69/534850569.db2.gz SSYLHTSTFYZKRS-UHFFFAOYSA-N 0 0 400.478 4.644 50 0 HJAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000032930138 525457889 /nfs/dbraw/zinc/45/78/89/525457889.db2.gz WILGEVSRENUDRG-SFHVURJKSA-N 0 0 424.522 4.510 50 0 HJAARN COc1ccc2cc(C(=O)Nc3ccccc3C(=O)Nc3cccc(OC)c3)[nH]c2c1 ZINC000069929352 525622610 /nfs/dbraw/zinc/62/26/10/525622610.db2.gz NDMYEINJPNFXNU-UHFFFAOYSA-N 0 0 415.449 4.690 50 0 HJAARN Cc1cc2nc(CSc3ccc(NC(=O)Nc4ccccc4C)cc3)cc(=O)n2o1 ZINC000041089700 525675715 /nfs/dbraw/zinc/67/57/15/525675715.db2.gz KRBJIXGVUONZGR-UHFFFAOYSA-N 0 0 420.494 4.841 50 0 HJAARN COc1ccc2[nH]c(S[C@@H](C(=O)NCc3ccc(F)cc3)c3ccccc3)nc2c1 ZINC000019926660 525679362 /nfs/dbraw/zinc/67/93/62/525679362.db2.gz JBSLKKOHUWCPQG-OAQYLSRUSA-N 0 0 421.497 4.860 50 0 HJAARN CSCc1ccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000032930124 525728254 /nfs/dbraw/zinc/72/82/54/525728254.db2.gz MZXALPIOWGKMGQ-UHFFFAOYSA-N 0 0 412.536 4.603 50 0 HJAARN Cc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(C[C@@H]4CCCO4)c3n2)cc1 ZINC000020603413 525730051 /nfs/dbraw/zinc/73/00/51/525730051.db2.gz VILHWDNLXBXATI-ZDUSSCGKSA-N 0 0 421.444 4.627 50 0 HJAARN COc1cccc(-c2noc(CCN(CC(C)C)C(=O)c3ccccc3Cl)n2)c1 ZINC000035538263 525735872 /nfs/dbraw/zinc/73/58/72/525735872.db2.gz OPEXNTFSJNVVQV-UHFFFAOYSA-N 0 0 413.905 4.740 50 0 HJAARN C[C@@]1(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)Cc2ccccc2C(=O)O1 ZINC000032675444 525800316 /nfs/dbraw/zinc/80/03/16/525800316.db2.gz YMKFUYCWQMZJFL-AMGIVPHBSA-N 0 0 424.500 4.588 50 0 HJAARN Cc1ccc(-c2noc(-c3ccc(OCC(=O)NCc4ccccc4C)cc3)n2)cc1 ZINC000032578785 525870216 /nfs/dbraw/zinc/87/02/16/525870216.db2.gz AOJVFJBQWGAOLX-UHFFFAOYSA-N 0 0 413.477 4.716 50 0 HJAARN C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)N[C@@H](c1nccn1C)c1ccccc1F ZINC000044380321 525937369 /nfs/dbraw/zinc/93/73/69/525937369.db2.gz TYVAIYWTBPGZBY-IIBYNOLFSA-N 0 0 409.505 4.530 50 0 HJAARN C[C@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000032939943 526008537 /nfs/dbraw/zinc/00/85/37/526008537.db2.gz PELUMKMALNKBTR-URNNUDQISA-N 0 0 412.511 4.731 50 0 HJAARN C[C@H](C(=O)N1c2ccccc2Sc2ccccc21)N1C(=O)c2ccccc2C1=O ZINC000000969799 526010363 /nfs/dbraw/zinc/01/03/63/526010363.db2.gz QSBCKHAEDFKGSG-CQSZACIVSA-N 0 0 400.459 4.501 50 0 biogenic HJAARN C[C@H](Sc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1)c1nc(C(C)(C)C)no1 ZINC000044089194 526015365 /nfs/dbraw/zinc/01/53/65/526015365.db2.gz RWBIHNNLVWJSCX-STQMWFEESA-N 0 0 418.542 4.563 50 0 HJAARN CSc1cccc(NC(=O)[C@H]2CC(=O)Nc3c(C)c(-c4ccc(F)cc4)nn32)c1 ZINC000032073885 526132194 /nfs/dbraw/zinc/13/21/94/526132194.db2.gz VQXUYUHPQCHRRH-QGZVFWFLSA-N 0 0 410.474 4.891 50 0 HJAARN Cc1nn(CC(=O)Nc2ccccc2SCc2ccccc2)c(=O)c2ccccc12 ZINC000032905038 526268917 /nfs/dbraw/zinc/26/89/17/526268917.db2.gz WRYSQKOPIIUHPZ-UHFFFAOYSA-N 0 0 415.518 4.636 50 0 HJAARN O=C(NCCCc1nc2ccccc2[nH]1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000032795291 526282064 /nfs/dbraw/zinc/28/20/64/526282064.db2.gz IWKLCFCLUBRUQO-NRFANRHFSA-N 0 0 408.502 4.785 50 0 HJAARN Cc1nnc(NC(=O)CSc2ncc(-c3ccccc3)n2C2CCCCC2)s1 ZINC000044086252 526364013 /nfs/dbraw/zinc/36/40/13/526364013.db2.gz JQCYNURFISNWTK-UHFFFAOYSA-N 0 0 413.572 4.946 50 0 HJAARN O=C(NCCc1ccc(OC(F)F)cc1)c1cc(Br)ccc1Cl ZINC000009670837 526410230 /nfs/dbraw/zinc/41/02/30/526410230.db2.gz MLNOVQRDTVRXNX-UHFFFAOYSA-N 0 0 404.638 4.676 50 0 HJAARN O=C(CCOc1ccc(Cl)c(Cl)c1)Nc1cccc(CN2CCCC2=O)c1 ZINC000031918271 526528486 /nfs/dbraw/zinc/52/84/86/526528486.db2.gz AGGXETKVYHDGFN-UHFFFAOYSA-N 0 0 407.297 4.523 50 0 HJAARN O=C([C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)N(Cc1ccccc1)c1ccccc1 ZINC000032491784 526537924 /nfs/dbraw/zinc/53/79/24/526537924.db2.gz IQHVYHOTJHTCFW-QFIPXVFZSA-N 0 0 416.496 4.911 50 0 HJAARN O=C(CCSc1nnc(NC2CCCCC2)s1)NCc1ccccc1Cl ZINC000032871028 526545388 /nfs/dbraw/zinc/54/53/88/526545388.db2.gz BABVYXDWTWCVSC-UHFFFAOYSA-N 0 0 410.996 4.735 50 0 HJAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1cc2ccccc2c(=O)[nH]1 ZINC000032717051 526578036 /nfs/dbraw/zinc/57/80/36/526578036.db2.gz NARSAGIWHQWUIS-NRFANRHFSA-N 0 0 407.473 4.571 50 0 HJAARN Cc1nc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)nn1-c1ccc(F)cc1 ZINC000032787199 526636785 /nfs/dbraw/zinc/63/67/85/526636785.db2.gz JPKMAJSUQXTLOK-UHFFFAOYSA-N 0 0 418.394 4.538 50 0 HJAARN O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2)N1CCCc2ccccc21 ZINC000000865853 526645237 /nfs/dbraw/zinc/64/52/37/526645237.db2.gz QNXQADFILAGJGE-KBXCAEBGSA-N 0 0 416.403 4.729 50 0 HJAARN O=C(NCc1ccc(C(=O)N2CCCC2)cc1)Nc1ccccc1Cc1ccccc1 ZINC000043334088 526652539 /nfs/dbraw/zinc/65/25/39/526652539.db2.gz MRCDVDAQMINREQ-UHFFFAOYSA-N 0 0 413.521 4.835 50 0 HJAARN O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000032753502 526690617 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ZINC000001101095 557179077 /nfs/dbraw/zinc/17/90/77/557179077.db2.gz RSOKMHQXWXIZCI-INIZCTEOSA-N 0 0 409.283 4.594 50 0 HJAARN COc1ccc(C(=O)n2nc(-c3ccco3)nc2SCc2ccccc2)cc1OC ZINC000001108757 557181662 /nfs/dbraw/zinc/18/16/62/557181662.db2.gz DKMUVRACUBBZIK-UHFFFAOYSA-N 0 0 421.478 4.536 50 0 HJAARN Cc1cc(Br)cc(C)c1NC(=S)NC(=O)c1ccc(F)cc1Cl ZINC000001110888 557183427 /nfs/dbraw/zinc/18/34/27/557183427.db2.gz NWHJYJPRLVBSIB-UHFFFAOYSA-N 0 0 415.715 4.985 50 0 HJAARN Cn1c(CCc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000001111670 557184099 /nfs/dbraw/zinc/18/40/99/557184099.db2.gz DIDINPMANFNMRB-UHFFFAOYSA-N 0 0 421.353 4.638 50 0 HJAARN Cc1ccc(-c2csc(NC(=O)CSc3ncc(-c4ccccc4)nn3)n2)cc1 ZINC000001117042 557187706 /nfs/dbraw/zinc/18/77/06/557187706.db2.gz HAJWCICIGZSLOH-UHFFFAOYSA-N 0 0 419.535 4.701 50 0 HJAARN Cc1c(OCC(=O)c2ccc(N3CCCC3)cc2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000001121276 557191010 /nfs/dbraw/zinc/19/10/10/557191010.db2.gz LWPJVLSBVYYMOA-UHFFFAOYSA-N 0 0 417.505 4.842 50 0 HJAARN Cc1cc(C)c(C)c(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccccc3)C2=O)c1C ZINC000001122047 557192147 /nfs/dbraw/zinc/19/21/47/557192147.db2.gz RXPDGJXSAAKLJM-HHHXNRCGSA-N 0 0 413.517 4.928 50 0 HJAARN CC[C@H](C)c1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000001124719 557194322 /nfs/dbraw/zinc/19/43/22/557194322.db2.gz DXNKRDJJDOSQRI-KRWDZBQOSA-N 0 0 410.539 4.613 50 0 HJAARN Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)OCc3ccccc3Cl)cc2)cc1 ZINC000001127769 557196414 /nfs/dbraw/zinc/19/64/14/557196414.db2.gz MUSXGDBJEKNKSA-UHFFFAOYSA-N 0 0 414.910 4.979 50 0 HJAARN COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 ZINC000001128431 557196593 /nfs/dbraw/zinc/19/65/93/557196593.db2.gz VPOCXGKISWENCW-QGZVFWFLSA-N 0 0 424.541 4.772 50 0 HJAARN COc1ccc2c(Cl)c(C(=O)NC(=S)N[C@H](C)c3ccccc3)sc2c1 ZINC000001129364 557197109 /nfs/dbraw/zinc/19/71/09/557197109.db2.gz TWCOYTOUYKBLBV-LLVKDONJSA-N 0 0 404.944 4.929 50 0 HJAARN CC(=O)Nc1ccc(C(=O)CSc2nc(-c3ccccc3)nc3c2CCCC3)cc1 ZINC000001132376 557199082 /nfs/dbraw/zinc/19/90/82/557199082.db2.gz HETPCTJQRIKQJL-UHFFFAOYSA-N 0 0 417.534 4.956 50 0 HJAARN COc1cccc(NC(=O)COc2ccccc2C(=O)Nc2c(C)cccc2C)c1 ZINC000001141102 557204078 /nfs/dbraw/zinc/20/40/78/557204078.db2.gz CLFIWOFBAQBQHB-UHFFFAOYSA-N 0 0 404.466 4.582 50 0 HJAARN Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1-c1ccc(F)cc1 ZINC000001141994 557204645 /nfs/dbraw/zinc/20/46/45/557204645.db2.gz KUSKMODEHBAZPQ-UHFFFAOYSA-N 0 0 411.289 4.752 50 0 HJAARN Cc1cc(C)c(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c(C)c1 ZINC000001145780 557207520 /nfs/dbraw/zinc/20/75/20/557207520.db2.gz PZYAUDYGRQNBOH-UHFFFAOYSA-N 0 0 422.550 4.830 50 0 HJAARN CC1(C)C(=O)[C@@](C)(Cc2ccc(Br)cc2)C(=O)O[C@@H]1c1ccccc1 ZINC000001151007 557210991 /nfs/dbraw/zinc/21/09/91/557210991.db2.gz XQFLKNARSCCVNV-DYESRHJHSA-N 0 0 401.300 4.891 50 0 HJAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc(Br)cn1 ZINC000001153811 557212526 /nfs/dbraw/zinc/21/25/26/557212526.db2.gz DUJVPCFCMXUPAL-UHFFFAOYSA-N 0 0 410.482 4.822 50 0 HJAARN NC(=O)c1c(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)sc2c1CCCC2 ZINC000001156412 557214340 /nfs/dbraw/zinc/21/43/40/557214340.db2.gz ZNOAONKCRUVYRI-UHFFFAOYSA-N 0 0 400.887 4.892 50 0 HJAARN Cc1[nH]c2ccccc2c1/C=C1\SC(=O)N(CC(=O)Nc2ccc(C)c(C)c2)C1=O ZINC000001157662 557215233 /nfs/dbraw/zinc/21/52/33/557215233.db2.gz FPQBKZQHKBUZKQ-JAIQZWGSSA-N 0 0 419.506 4.768 50 0 HJAARN O=C(Oc1ccc(Br)cc1C(=S)N1CCCC1)c1ccccc1F ZINC000001161774 557218742 /nfs/dbraw/zinc/21/87/42/557218742.db2.gz SBZLLIPZCGKPQO-UHFFFAOYSA-N 0 0 408.292 4.579 50 0 HJAARN COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1 ZINC000001170039 557223551 /nfs/dbraw/zinc/22/35/51/557223551.db2.gz UBTIWTAXOAJJRS-UHFFFAOYSA-N 0 0 417.490 4.939 50 0 HJAARN COC(=O)c1ccc([C@H]2[C@H](Oc3ccccc3C)C(=O)N2c2cccc(Cl)c2)cc1 ZINC000001170954 557224023 /nfs/dbraw/zinc/22/40/23/557224023.db2.gz CUHXISPXCZCHQW-VXKWHMMOSA-N 0 0 421.880 4.971 50 0 HJAARN COc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 ZINC000001171136 557224037 /nfs/dbraw/zinc/22/40/37/557224037.db2.gz MFWYTDBUQMUESP-UHFFFAOYSA-N 0 0 403.463 4.630 50 0 HJAARN Cc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)c1 ZINC000001171410 557224297 /nfs/dbraw/zinc/22/42/97/557224297.db2.gz AITDPMMSJIXNJU-UHFFFAOYSA-N 0 0 403.463 4.636 50 0 HJAARN Cc1cc(Br)c(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1C ZINC000001174049 557226081 /nfs/dbraw/zinc/22/60/81/557226081.db2.gz IJECCGODPWPYIS-UHFFFAOYSA-N 0 0 422.388 4.709 50 0 HJAARN COc1ccccc1C(=O)NC(=S)Nc1ccc2oc(-c3ccccc3F)nc2c1 ZINC000001174369 557226361 /nfs/dbraw/zinc/22/63/61/557226361.db2.gz QBTBMWRGNOWJEN-UHFFFAOYSA-N 0 0 421.453 4.769 50 0 HJAARN O=C(Cc1ccccc1)NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(O)c1 ZINC000001179671 557229609 /nfs/dbraw/zinc/22/96/09/557229609.db2.gz CIPZZNQSKWARLW-UHFFFAOYSA-N 0 0 419.531 4.725 50 0 HJAARN CCOc1cccc(C(=O)NC(=S)Nc2cc(C(C)(C)C)cc(Cl)c2O)c1 ZINC000001181421 557231182 /nfs/dbraw/zinc/23/11/82/557231182.db2.gz NRJCTFAFSNCISM-UHFFFAOYSA-N 0 0 406.935 4.869 50 0 HJAARN CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000001182490 557231743 /nfs/dbraw/zinc/23/17/43/557231743.db2.gz GIWDSOWNWYBJAL-UHFFFAOYSA-N 0 0 404.491 4.657 50 0 HJAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)Cc1ccccc1 ZINC000001183261 557232057 /nfs/dbraw/zinc/23/20/57/557232057.db2.gz BXYILKRQLOBWTM-UHFFFAOYSA-N 0 0 417.490 4.559 50 0 HJAARN CCOc1ccc(-n2c(=O)c3cnn(-c4ccccc4)c3nc2-c2ccccc2)cc1 ZINC000001185393 557233502 /nfs/dbraw/zinc/23/35/02/557233502.db2.gz RLLFOGZEYMBDAC-UHFFFAOYSA-N 0 0 408.461 4.637 50 0 HJAARN CCC(=O)N1N=C2c3ccc(OC)cc3CC[C@@H]2[C@H]1c1ccc(Br)cc1 ZINC000001189171 557235604 /nfs/dbraw/zinc/23/56/04/557235604.db2.gz VDJMXNSHMOACDS-GHTZIAJQSA-N 0 0 413.315 4.718 50 0 HJAARN O=C(CSc1nc2ccccc2[nH]1)c1ccc(OC(F)F)cc1OC(F)F ZINC000001190096 557235869 /nfs/dbraw/zinc/23/58/69/557235869.db2.gz YYBIQSJVAMOOTK-UHFFFAOYSA-N 0 0 400.353 4.741 50 0 HJAARN CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N1 ZINC000001191916 557236406 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COc1ccc(C(=O)Nc2ccc(I)cc2Cl)cc1Cl ZINC000001217961 557247147 /nfs/dbraw/zinc/24/71/47/557247147.db2.gz ZRMFVPVYOKARON-UHFFFAOYSA-N 0 0 422.049 4.859 50 0 HJAARN O=C(Nc1nonc1NC(=O)Nc1cccc(Cl)c1)Nc1cccc(Cl)c1 ZINC000001236197 557250273 /nfs/dbraw/zinc/25/02/73/557250273.db2.gz HKALZWVUFIYREB-UHFFFAOYSA-N 0 0 407.217 4.664 50 0 HJAARN COc1cccc(NC(=O)Nc2nnc(-c3ccccc3Br)s2)c1 ZINC000001254493 557251792 /nfs/dbraw/zinc/25/17/92/557251792.db2.gz OTLNFWDGTIENCL-UHFFFAOYSA-N 0 0 405.277 4.620 50 0 HJAARN CC(C)Oc1ccc(CC2N=NC(=S)N2c2ccc(Br)cc2)cc1 ZINC000001288713 557253675 /nfs/dbraw/zinc/25/36/75/557253675.db2.gz GYCPLZXESYKRAY-UHFFFAOYSA-N 0 0 404.333 4.697 50 0 HJAARN O=C(OCC1(COC(=O)c2ccccc2)CCc2ccccc2C1=O)c1ccccc1 ZINC000001387885 557258347 /nfs/dbraw/zinc/25/83/47/557258347.db2.gz NXAWXNAEUIPBQA-UHFFFAOYSA-N 0 0 414.457 4.516 50 0 HJAARN Cc1ccc2c(c1)-c1c(sn(-c3ccc(S(N)(=O)=O)cc3)c1=S)C(C)(C)N2 ZINC000001423600 557260690 /nfs/dbraw/zinc/26/06/90/557260690.db2.gz JNHSQZTUFBVQJE-UHFFFAOYSA-N 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CC(C)c1ccccc1NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1C ZINC000002241190 557330296 /nfs/dbraw/zinc/33/02/96/557330296.db2.gz QEGPSBKAJLUPQE-UHFFFAOYSA-N 0 0 400.935 4.990 50 0 HJAARN O=C(NC1CCCC1)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000002279171 557333830 /nfs/dbraw/zinc/33/38/30/557333830.db2.gz HIOOIVGLYCLIPF-ZIAGYGMSSA-N 0 0 412.843 4.869 50 0 HJAARN CCOC(=O)C1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1ccc(Br)cc1 ZINC000002281002 557334095 /nfs/dbraw/zinc/33/40/95/557334095.db2.gz YHNBICCLYFMPHG-SFHVURJKSA-N 0 0 424.294 4.860 50 0 HJAARN CCOP(=O)(OCC)[C@H](NC(=O)c1cccc(C)c1)C(Cl)(Cl)Cl ZINC000002306201 557335904 /nfs/dbraw/zinc/33/59/04/557335904.db2.gz QYMPYLVQPXQNPX-ZDUSSCGKSA-N 0 0 402.642 4.687 50 0 HJAARN CCCCNC(=O)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000002305866 557335911 /nfs/dbraw/zinc/33/59/11/557335911.db2.gz IZDBQPAKIKRRCQ-OLZOCXBDSA-N 0 0 400.832 4.727 50 0 HJAARN COc1ccccc1NC(=O)Nc1nnc(CSCc2ccc(F)cc2)s1 ZINC000002326995 557337409 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COc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccco2)cc1 ZINC000002450107 557349230 /nfs/dbraw/zinc/34/92/30/557349230.db2.gz PCPBACAGKKHQTL-UHFFFAOYSA-N 0 0 420.494 4.575 50 0 HJAARN COc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(C)cc2)cc1 ZINC000002452264 557349495 /nfs/dbraw/zinc/34/94/95/557349495.db2.gz HFCAKVIHFPOJHD-UHFFFAOYSA-N 0 0 420.494 4.575 50 0 HJAARN Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(C)cc3)c3ccc(Cl)cc32)o1 ZINC000002493141 557352277 /nfs/dbraw/zinc/35/22/77/557352277.db2.gz KFJQZATUGBVILP-QHCPKHFHSA-N 0 0 409.869 4.557 50 0 HJAARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C(C)(C)C)cc2)N2C(=O)CCSC2=N1 ZINC000002502036 557353056 /nfs/dbraw/zinc/35/30/56/557353056.db2.gz IZRUMDCGZKWPHK-IBGZPJMESA-N 0 0 400.544 4.586 50 0 HJAARN COC(=O)c1ccc(COc2ccc3cc(-c4ccc(F)cc4)c(=O)oc3c2)cc1 ZINC000002552191 557356087 /nfs/dbraw/zinc/35/60/87/557356087.db2.gz PZROFIAZEGNDAV-UHFFFAOYSA-N 0 0 404.393 4.965 50 0 HJAARN C[C@@H](NC(=O)c1cccc(CN2CCN(c3ccccc3F)CC2)c1)c1ccccc1 ZINC000034668410 557362014 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CCN(C)C(=O)c1csc(-c2ccc(OCc3ccc(F)cc3)c(OC)c2)n1 ZINC000034712279 557391992 /nfs/dbraw/zinc/39/19/92/557391992.db2.gz BLVFYFJRRSVTQG-UHFFFAOYSA-N 0 0 400.475 4.629 50 0 HJAARN COc1cc(-c2nc(C(=O)NC3CC3)cs2)ccc1OCc1ccc(F)cc1F ZINC000034712440 557392168 /nfs/dbraw/zinc/39/21/68/557392168.db2.gz GFJBNQIGMSQGIT-UHFFFAOYSA-N 0 0 416.449 4.568 50 0 HJAARN O=C(c1csc(-c2cccc(OCc3cccc(Cl)c3)c2)n1)N1CCOCC1 ZINC000034712845 557392360 /nfs/dbraw/zinc/39/23/60/557392360.db2.gz SMWNFRDADPPPGW-UHFFFAOYSA-N 0 0 414.914 4.515 50 0 HJAARN COc1ccc(-c2nnc3c4ccc(Cl)cc4nc(N4CCCCC4)n23)cc1OC ZINC000034699575 557398245 /nfs/dbraw/zinc/39/82/45/557398245.db2.gz KYKPNJRCHRVTHE-UHFFFAOYSA-N 0 0 423.904 4.605 50 0 HJAARN Cc1[nH]c2ccccc2c1[C@]1(O)c2cc(Cl)ccc2N(CCc2ccccc2)C1=O ZINC000002840735 557400589 /nfs/dbraw/zinc/40/05/89/557400589.db2.gz UUJWLKXNSONUEO-RUZDIDTESA-N 0 0 416.908 4.955 50 0 HJAARN COc1cc(NC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1NC(=O)C(C)C ZINC000002841653 557401067 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CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccs4)cc3n2)cc1 ZINC000002858389 557408431 /nfs/dbraw/zinc/40/84/31/557408431.db2.gz NUEFMEKAAVPZST-UHFFFAOYSA-N 0 0 405.527 4.889 50 0 HJAARN Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2ccc(OC(F)F)cc2)n1 ZINC000002861485 557410304 /nfs/dbraw/zinc/41/03/04/557410304.db2.gz WCCKDSNAPHOUMZ-UHFFFAOYSA-N 0 0 401.438 4.784 50 0 HJAARN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)NC(=O)c3ccco3)c2)cc1 ZINC000002883457 557420646 /nfs/dbraw/zinc/42/06/46/557420646.db2.gz NRONIZUNIBMYHS-UHFFFAOYSA-N 0 0 421.522 4.956 50 0 HJAARN COc1ccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)cc1OC ZINC000002884178 557420951 /nfs/dbraw/zinc/42/09/51/557420951.db2.gz FSWRCHPGUOQNKH-UHFFFAOYSA-N 0 0 418.824 4.503 50 0 HJAARN CC(C)C(=O)N[C@H](NC(=S)Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000002905330 557425415 /nfs/dbraw/zinc/42/54/15/557425415.db2.gz LEWOFOVFBJXKIM-OAHLLOKOSA-N 0 0 418.777 4.595 50 0 HJAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccc3c(c1)OCO3)Nc1ccccc1-2 ZINC000002914681 557426584 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COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)C2CCCC2)c1 ZINC000004353872 558439489 /nfs/dbraw/zinc/43/94/89/558439489.db2.gz GPMZRBFSLCSIBP-UHFFFAOYSA-N 0 0 408.454 4.831 50 0 HJAARN CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc1 ZINC000012631087 558441860 /nfs/dbraw/zinc/44/18/60/558441860.db2.gz URAJLMXKQAKYCG-FPXKJXHESA-N 0 0 424.522 4.847 50 0 HJAARN COc1cc(C(=O)Nc2nc3c(cccc3C)s2)cc(OC)c1Br ZINC000021589521 558442454 /nfs/dbraw/zinc/44/24/54/558442454.db2.gz NMYGIVRFWNLJRD-UHFFFAOYSA-N 0 0 407.289 4.637 50 0 HJAARN O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCS[C@H](c2cc(F)ccc2F)CC1 ZINC000219309498 558443403 /nfs/dbraw/zinc/44/34/03/558443403.db2.gz JMJJWTSDIXKLDF-FQEVSTJZSA-N 0 0 417.456 4.814 50 0 HJAARN C[C@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1cccc2ccccc21 ZINC000021636944 558444065 /nfs/dbraw/zinc/44/40/65/558444065.db2.gz JGYLIGPOXGFTBC-AZUAARDMSA-N 0 0 401.510 4.961 50 0 HJAARN O=C(NCc1nc(-c2ccccc2Cl)no1)C(c1ccccc1)c1ccccc1 ZINC000012654987 558444512 /nfs/dbraw/zinc/44/45/12/558444512.db2.gz QUOFUMVCLOZSPH-UHFFFAOYSA-N 0 0 403.869 4.838 50 0 HJAARN O=C(CSc1cc(N2CCCCC2)ncn1)Nc1ccc(Oc2ccccc2)cc1 ZINC000021658175 558444770 /nfs/dbraw/zinc/44/47/70/558444770.db2.gz XETKNPVDLZABGI-UHFFFAOYSA-N 0 0 420.538 4.990 50 0 HJAARN CCOC(=O)CCCSc1nnc(-c2ccco2)n1-c1cc(Cl)ccc1C ZINC000004357340 558445656 /nfs/dbraw/zinc/44/56/56/558445656.db2.gz MSWXLEVHUVLJDM-UHFFFAOYSA-N 0 0 405.907 4.925 50 0 HJAARN Cc1cc(NC[C@H]2CCCO2)n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2n1 ZINC000021790537 558448950 /nfs/dbraw/zinc/44/89/50/558448950.db2.gz ZWJHQPXBYJYBIJ-GFCCVEGCSA-N 0 0 410.827 4.968 50 0 HJAARN COc1ccc(-c2nc3c4c(C)c(C)n(-c5cccc(C)c5)c4ncn3n2)cc1OC ZINC000021801161 558450122 /nfs/dbraw/zinc/45/01/22/558450122.db2.gz PPTZZXWSLJUMBY-UHFFFAOYSA-N 0 0 413.481 4.678 50 0 HJAARN Cc1cccc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)n1 ZINC000012708064 558450782 /nfs/dbraw/zinc/45/07/82/558450782.db2.gz XABMZCNTBJDLMP-HXUWFJFHSA-N 0 0 417.484 4.687 50 0 HJAARN CC(C)[C@H](NC(=O)C1CCN(C(=O)c2ccco2)CC1)c1ccc(C(C)(C)C)cc1 ZINC000012789851 558464775 /nfs/dbraw/zinc/46/47/75/558464775.db2.gz ZHFINOZTRPKNIO-QFIPXVFZSA-N 0 0 410.558 4.943 50 0 HJAARN CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 ZINC000005241792 558464929 /nfs/dbraw/zinc/46/49/29/558464929.db2.gz DGMGNNPIQUGXDA-UHFFFAOYSA-N 0 0 406.463 4.541 50 0 HJAARN CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)c1ccccn1 ZINC000012790448 558465156 /nfs/dbraw/zinc/46/51/56/558465156.db2.gz OVTNZRMCXLLFRC-UHFFFAOYSA-N 0 0 416.912 4.919 50 0 HJAARN COc1ccc(C(C)(C)C)cc1NC(=O)Cn1c(=S)[nH]nc1-c1ccc(C)cc1 ZINC000012797198 558469825 /nfs/dbraw/zinc/46/98/25/558469825.db2.gz BQYIUXXBHOYCHW-UHFFFAOYSA-N 0 0 410.543 4.861 50 0 HJAARN O=C(Nc1c(F)cc(F)cc1Br)[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000012846259 558478867 /nfs/dbraw/zinc/47/88/67/558478867.db2.gz MIDHTLFYZPIOKS-AWEZNQCLSA-N 0 0 415.621 4.512 50 0 HJAARN CN(Cc1ccccc1Br)C(=O)CSc1nnc(C2CCCCC2)o1 ZINC000022376197 558484391 /nfs/dbraw/zinc/48/43/91/558484391.db2.gz HEYYOJZFAZGCFI-UHFFFAOYSA-N 0 0 424.364 4.631 50 0 HJAARN Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000012908234 558484470 /nfs/dbraw/zinc/48/44/70/558484470.db2.gz FBUWIGUTEBEVKF-UHFFFAOYSA-N 0 0 409.511 4.519 50 0 HJAARN CC(=O)Nc1cccc(NC(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c32)c1 ZINC000012919065 558484870 /nfs/dbraw/zinc/48/48/70/558484870.db2.gz PAVDDDSFKNMUJD-UHFFFAOYSA-N 0 0 406.467 4.779 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)c1cccc(Cl)c1Cl ZINC000012921575 558485252 /nfs/dbraw/zinc/48/52/52/558485252.db2.gz KREKJZYLMNWBEK-UHFFFAOYSA-N 0 0 424.353 4.617 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)c2ccccc2OCc2csc(C)n2)cc1Cl ZINC000012937950 558486747 /nfs/dbraw/zinc/48/67/47/558486747.db2.gz UNDYSJAPDCHSOQ-UHFFFAOYSA-N 0 0 415.902 4.895 50 0 HJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N(C)Cc2ccc(Cl)s2)cc1 ZINC000012940382 558487101 /nfs/dbraw/zinc/48/71/01/558487101.db2.gz NVUNQTNZYLTJJS-UHFFFAOYSA-N 0 0 423.925 4.681 50 0 HJAARN O=C(Nc1ccc(Cl)cc1F)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012973783 558490227 /nfs/dbraw/zinc/49/02/27/558490227.db2.gz RFLRRGPVHCEANS-SJAGGWKPSA-N 0 0 404.913 4.625 50 0 HJAARN CCOc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000022456611 558490260 /nfs/dbraw/zinc/49/02/60/558490260.db2.gz DWRABJNEQIGMGF-UHFFFAOYSA-N 0 0 407.841 4.578 50 0 HJAARN CCOc1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c32)cc1OCC ZINC000012974593 558490640 /nfs/dbraw/zinc/49/06/40/558490640.db2.gz DSVGQOVXINXDAE-UHFFFAOYSA-N 0 0 407.426 4.841 50 0 HJAARN C[C@@H](OC(=O)c1cc(-c2ccncc2)nc2ccccc21)C(=O)N(C)c1ccccc1 ZINC000022470718 558491422 /nfs/dbraw/zinc/49/14/22/558491422.db2.gz OXQBYGGBRNOBJS-QGZVFWFLSA-N 0 0 411.461 4.505 50 0 HJAARN COc1ccc2cc([C@H](C)C(=O)N(C)CC(=O)Nc3c(C)cc(C)cc3C)ccc2c1 ZINC000012978000 558492401 /nfs/dbraw/zinc/49/24/01/558492401.db2.gz VEZHRUWBVUOYGM-IBGZPJMESA-N 0 0 418.537 4.974 50 0 HJAARN CCOC(=O)c1ccc(NC(=O)CN(C)[C@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000012983174 558494393 /nfs/dbraw/zinc/49/43/93/558494393.db2.gz HIZLLSAJLWWDHR-XMMPIXPASA-N 0 0 420.484 4.662 50 0 HJAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)Nc1ccccc1C)CC2 ZINC000012986919 558495668 /nfs/dbraw/zinc/49/56/68/558495668.db2.gz RRNDQAPYIKXULU-DEOSSOPVSA-N 0 0 422.550 4.660 50 0 HJAARN COc1ccccc1N(Cc1cccc2cccnc21)S(=O)(=O)c1cccs1 ZINC000010849172 558495671 /nfs/dbraw/zinc/49/56/71/558495671.db2.gz JRDKXVAVBAUXLH-UHFFFAOYSA-N 0 0 410.520 4.700 50 0 HJAARN COc1ccc(OC)c([C@H](C)NC(=O)c2cc3c(C)nn(CC(C)C)c3s2)c1 ZINC000012993473 558497404 /nfs/dbraw/zinc/49/74/04/558497404.db2.gz SYZNWIYOUODVKI-ZDUSSCGKSA-N 0 0 401.532 4.570 50 0 HJAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cc3)C2)c2ccccc12 ZINC000012994815 558498115 /nfs/dbraw/zinc/49/81/15/558498115.db2.gz XMIRTVGWUYCFAT-INIZCTEOSA-N 0 0 422.912 4.993 50 0 HJAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(C)c(C)c3)C2)c2ccccc12 ZINC000012995588 558498574 /nfs/dbraw/zinc/49/85/74/558498574.db2.gz DRPUDAQXKUFCML-IBGZPJMESA-N 0 0 416.521 4.956 50 0 HJAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N(C)CC(=O)Nc1cccc(F)c1 ZINC000012999196 558499657 /nfs/dbraw/zinc/49/96/57/558499657.db2.gz HLDUOWQPJARALH-UHFFFAOYSA-N 0 0 417.893 4.622 50 0 HJAARN O=C(Nc1ccc(N2CCc3sccc3C2)nc1)c1ccccc1Br ZINC000013003646 558501338 /nfs/dbraw/zinc/50/13/38/558501338.db2.gz UFOSCSYCMFCPKW-UHFFFAOYSA-N 0 0 414.328 4.721 50 0 HJAARN O=C(c1cccc(CSc2ccc(Cl)cc2)c1)N1CCN(c2ccccn2)CC1 ZINC000013062276 558509954 /nfs/dbraw/zinc/50/99/54/558509954.db2.gz MSAVWHZDNWIJBG-UHFFFAOYSA-N 0 0 423.969 4.990 50 0 HJAARN CC1CCN(Cn2nc(-c3ccc(Cl)cc3)n(C[C@@H]3CCCO3)c2=S)CC1 ZINC000013072661 558511785 /nfs/dbraw/zinc/51/17/85/558511785.db2.gz QSJPYOWCVYUQGU-SFHVURJKSA-N 0 0 406.983 4.603 50 0 HJAARN CCOc1cc(/C=C2\N=C(c3ccccc3OC(F)F)OC2=O)cc(Cl)c1OC ZINC000013073556 558511863 /nfs/dbraw/zinc/51/18/63/558511863.db2.gz OYMCSEVRNNLVHJ-ZROIWOOFSA-N 0 0 423.799 4.693 50 0 HJAARN CCOc1ccccc1/C=C(/NC(=O)c1ccccc1)C(=O)N[C@H](C)c1ccccc1 ZINC000013125112 558518317 /nfs/dbraw/zinc/51/83/17/558518317.db2.gz MZQHGCPWYMAKLI-BAYXNVEISA-N 0 0 414.505 4.734 50 0 biogenic HJAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2cccc(Cl)c2)N1Cc1ccco1 ZINC000013126945 558518594 /nfs/dbraw/zinc/51/85/94/558518594.db2.gz SUBFUFJBWSGAKT-NRFANRHFSA-N 0 0 405.841 4.774 50 0 HJAARN C[C@@H]1CN(C(=O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)C[C@H](C)O1 ZINC000013128348 558519554 /nfs/dbraw/zinc/51/95/54/558519554.db2.gz CTNDVBYNPRXBPE-BETUJISGSA-N 0 0 419.597 4.595 50 0 HJAARN CCOc1cc(/C=C2\N=C(c3ccccc3C)OC2=O)cc(Br)c1OC ZINC000013137551 558521513 /nfs/dbraw/zinc/52/15/13/558521513.db2.gz QWAOIADENKNYGU-YBEGLDIGSA-N 0 0 416.271 4.509 50 0 HJAARN CCS(=O)(=O)N1N=C(c2cccs2)C[C@H]1c1cc2cc(C)ccc2nc1Cl ZINC000013138858 558521743 /nfs/dbraw/zinc/52/17/43/558521743.db2.gz NKIFKOWGUMLJRW-KRWDZBQOSA-N 0 0 419.959 4.759 50 0 HJAARN COc1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)c1 ZINC000013228220 558527235 /nfs/dbraw/zinc/52/72/35/558527235.db2.gz VXEQPVXBLVIPRJ-UHFFFAOYSA-N 0 0 417.494 4.764 50 0 HJAARN Cc1noc2nc(C)cc(C(=O)Nc3ccc(Sc4nc(C)cc(C)n4)cc3)c12 ZINC000023012680 558530335 /nfs/dbraw/zinc/53/03/35/558530335.db2.gz FVKBVHHSCMFDJV-UHFFFAOYSA-N 0 0 405.483 4.650 50 0 HJAARN COc1cc(CN(C)C(=O)[C@@]2(C)CC2(Cl)Cl)ccc1OCc1ccccc1 ZINC000023040255 558531154 /nfs/dbraw/zinc/53/11/54/558531154.db2.gz CXMAXYVUNNOHPR-HXUWFJFHSA-N 0 0 408.325 4.817 50 0 HJAARN COc1ccc(/C=C2\SC(=O)N(CNc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000013477007 558534167 /nfs/dbraw/zinc/53/41/67/558534167.db2.gz JUOWQLYRWKPKIH-SXGWCWSVSA-N 0 0 408.401 4.820 50 0 HJAARN O=C(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000005893252 558535533 /nfs/dbraw/zinc/53/55/33/558535533.db2.gz CTTNVBVBPALQNP-UHFFFAOYSA-N 0 0 404.850 4.532 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)Cn1cnc2c(-c3ccccc3)csc2c1=O ZINC000023126342 558535831 /nfs/dbraw/zinc/53/58/31/558535831.db2.gz SVFZCLLCHLKQJC-UHFFFAOYSA-N 0 0 409.898 4.726 50 0 HJAARN COc1ccc2oc(-c3csc(NC(=O)c4cccc(OC)c4OC)n3)cc2c1 ZINC000010883504 558538092 /nfs/dbraw/zinc/53/80/92/558538092.db2.gz YNGSVJMJLSWAOL-UHFFFAOYSA-N 0 0 410.451 4.834 50 0 HJAARN CC(C)[C@H](NC(=O)N[C@H]1CCCc2ccccc21)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000013548458 558538467 /nfs/dbraw/zinc/53/84/67/558538467.db2.gz BZZNNEANKNPIGA-SGNDLWITSA-N 0 0 419.569 4.582 50 0 HJAARN COc1ccc(NC(=O)Nc2nnc(CSCc3cccc(C)c3)s2)cc1 ZINC000013550064 558538795 /nfs/dbraw/zinc/53/87/95/558538795.db2.gz AMCGUCAHRNOJOU-UHFFFAOYSA-N 0 0 400.529 4.933 50 0 HJAARN Cc1cc(OCC(=O)Nc2nc(-c3cccs3)c(-c3cccs3)s2)no1 ZINC000023296041 558548276 /nfs/dbraw/zinc/54/82/76/558548276.db2.gz USIOYLBIQOOANQ-UHFFFAOYSA-N 0 0 403.510 4.914 50 0 HJAARN Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)OCc1nc2ccccc2s1 ZINC000023299031 558548320 /nfs/dbraw/zinc/54/83/20/558548320.db2.gz YCGDNTKSEOODBW-UHFFFAOYSA-N 0 0 408.527 4.915 50 0 HJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)CC(C)C)c2)n(-c2cccc(F)c2)n1 ZINC000023333963 558549701 /nfs/dbraw/zinc/54/97/01/558549701.db2.gz SNLWXNDUZPWTGZ-UHFFFAOYSA-N 0 0 409.461 4.840 50 0 HJAARN Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)c1 ZINC000013631111 558552322 /nfs/dbraw/zinc/55/23/22/558552322.db2.gz HKSKGENKICUSOO-IBGZPJMESA-N 0 0 402.494 4.972 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1CCc1nn2c(nnc2-c2cccs2)s1 ZINC000013655931 558559120 /nfs/dbraw/zinc/55/91/20/558559120.db2.gz JQDZBOIHMNQBTB-UHFFFAOYSA-N 0 0 406.540 4.502 50 0 HJAARN COc1ccc(OCCn2c3ccccc3n(Cc3ccccc3Cl)c2=N)cc1 ZINC000023504998 558560186 /nfs/dbraw/zinc/56/01/86/558560186.db2.gz ZBJAFOMXHIBFEN-UHFFFAOYSA-N 0 0 407.901 4.712 50 0 HJAARN Cc1csc(=O)n1CCCC(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000023649395 558565046 /nfs/dbraw/zinc/56/50/46/558565046.db2.gz MPEWYJYDXPRWNC-UHFFFAOYSA-N 0 0 404.919 4.570 50 0 HJAARN Cc1nc(COc2ccccc2C(=O)Nc2cccc(C3SCCS3)c2)no1 ZINC000023695029 558568349 /nfs/dbraw/zinc/56/83/49/558568349.db2.gz PXSXXMJDUPCXEM-UHFFFAOYSA-N 0 0 413.524 4.688 50 0 HJAARN Cc1c(C)n(C(C)C)c(NC(=O)c2ccccc2F)c1S(=O)(=O)c1ccccc1 ZINC000013689678 558571915 /nfs/dbraw/zinc/57/19/15/558571915.db2.gz 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CC(C)c1cc(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)c2ccccc2n1 ZINC000026369263 558659697 /nfs/dbraw/zinc/65/96/97/558659697.db2.gz MEOJYPDSMLPNBJ-UHFFFAOYSA-N 0 0 404.438 4.607 50 0 HJAARN COC(=O)c1c(NC(C)=O)c2cc(N[C@@H](C)CC(C)C)cnc2n1CCC(C)C ZINC000014541411 558660204 /nfs/dbraw/zinc/66/02/04/558660204.db2.gz KAXQBMQFXLSFIT-HNNXBMFYSA-N 0 0 402.539 4.674 50 0 HJAARN CCc1cc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)sc1C ZINC000026790529 558665418 /nfs/dbraw/zinc/66/54/18/558665418.db2.gz FJWYVAQDJFVWQE-UHFFFAOYSA-N 0 0 404.333 4.879 50 0 HJAARN CCOP(=O)(OCC)[C@@H](NC(=O)c1ccccc1F)C(Cl)(Cl)Cl ZINC000026962841 558667743 /nfs/dbraw/zinc/66/77/43/558667743.db2.gz ZKGDNYIQJSGONS-GFCCVEGCSA-N 0 0 406.605 4.518 50 0 HJAARN COc1ccc(-c2nnc(SCC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)n2C(C)C)cc1 ZINC000004549312 558673003 /nfs/dbraw/zinc/67/30/03/558673003.db2.gz CGWADCOPMBSDNQ-GPMSIDNRSA-N 0 0 416.591 4.568 50 0 HJAARN O=C(CC[C@H]1Cc2ccccc2NC1=O)Oc1ccc(Br)cc1Cl ZINC000014849317 558674869 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558796659 /nfs/dbraw/zinc/79/66/59/558796659.db2.gz SLGYYIGVURWZTA-UHFFFAOYSA-N 0 0 412.461 4.796 50 0 HJAARN Cc1ccccc1CNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)O2 ZINC000032984025 558805031 /nfs/dbraw/zinc/80/50/31/558805031.db2.gz WSJWUWFDCQLAQA-WSDLNYQXSA-N 0 0 418.880 4.950 50 0 HJAARN O=C(COc1cc(-c2ccccc2)nc2ccc(F)cc21)Nc1ccc2c(c1)OCO2 ZINC000032985807 558806078 /nfs/dbraw/zinc/80/60/78/558806078.db2.gz TYXHUHDRRAMGJR-UHFFFAOYSA-N 0 0 416.408 4.787 50 0 HJAARN O=C(CSc1nccn2nc(-c3cccc4ccccc43)cc12)NCc1ccco1 ZINC000016841179 558808193 /nfs/dbraw/zinc/80/81/93/558808193.db2.gz OQVVCFFKDQDTSM-UHFFFAOYSA-N 0 0 414.490 4.551 50 0 HJAARN Cc1ccc(-c2csc3c2nc(SCC(=O)Nc2ccccc2)n(C)c3=O)cc1 ZINC000016846048 558808583 /nfs/dbraw/zinc/80/85/83/558808583.db2.gz BDAYREDXSTVEGJ-UHFFFAOYSA-N 0 0 421.547 4.701 50 0 HJAARN O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc(F)c(Cl)c1 ZINC000016899421 558808925 /nfs/dbraw/zinc/80/89/25/558808925.db2.gz KTFKNYDHZABQRL-CQSZACIVSA-N 0 0 418.799 4.940 50 0 HJAARN COc1ccc(N2CCn3c(SCc4cccc(C(F)(F)F)c4)nnc32)cc1 ZINC000016954019 558809866 /nfs/dbraw/zinc/80/98/66/558809866.db2.gz VAWWMKWULWHNAF-UHFFFAOYSA-N 0 0 406.433 4.750 50 0 HJAARN Cc1ccc(NC2=NC(=O)C[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)S2)cc1 ZINC000016971790 558810793 /nfs/dbraw/zinc/81/07/93/558810793.db2.gz MIHYSFPZVRRFOA-HNNXBMFYSA-N 0 0 408.310 4.741 50 0 HJAARN Cc1ccc(-c2csc3c2ncn(CC(=O)Nc2cc(C)ccc2C)c3=O)cc1 ZINC000038651713 558813309 /nfs/dbraw/zinc/81/33/09/558813309.db2.gz ZPCHZYXBYRXRJW-UHFFFAOYSA-N 0 0 403.507 4.689 50 0 HJAARN CC(C)(C)NC(=O)c1ccc(-n2nc(Sc3ccc(Cl)cc3)ccc2=O)cc1 ZINC000032998882 558819762 /nfs/dbraw/zinc/81/97/62/558819762.db2.gz UCTVVBZEYDACCC-UHFFFAOYSA-N 0 0 413.930 4.565 50 0 HJAARN COc1ccc(OC)c(Nc2nc(NCC(C)C)nc3c2cnn3-c2ccccc2)c1 ZINC000017113276 558822772 /nfs/dbraw/zinc/82/27/72/558822772.db2.gz NZXQVBLECOKVTD-UHFFFAOYSA-N 0 0 418.501 4.644 50 0 HJAARN CCOc1ccc(N2CCn3c(SCc4c(F)cccc4Cl)nnc32)cc1 ZINC000017307775 558826826 /nfs/dbraw/zinc/82/68/26/558826826.db2.gz BSXKRKAYUWNYLT-UHFFFAOYSA-N 0 0 404.898 4.913 50 0 HJAARN COc1cc(NC(=O)Nc2cc(Cl)ccc2OC)cc2sc(NC(C)=O)nc21 ZINC000033008519 558828098 /nfs/dbraw/zinc/82/80/98/558828098.db2.gz XMCIGYWLZPYJJR-UHFFFAOYSA-N 0 0 420.878 4.569 50 0 HJAARN Cc1ccccc1S(=O)(=O)Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1 ZINC000033007637 558828537 /nfs/dbraw/zinc/82/85/37/558828537.db2.gz TZJCNDJISZHDPS-UHFFFAOYSA-N 0 0 423.519 4.658 50 0 HJAARN CCCc1ccc(S(=O)(=O)Nc2cc3sc(NC(=O)CC)nc3c(C)c2)cc1 ZINC000033007682 558828553 /nfs/dbraw/zinc/82/85/53/558828553.db2.gz OTUVEZLYCDLMEL-UHFFFAOYSA-N 0 0 417.556 4.707 50 0 HJAARN CCC(=O)Nc1nc2ccc(NC(=O)Nc3cc(Cl)ccc3OC)cc2s1 ZINC000033008029 558828839 /nfs/dbraw/zinc/82/88/39/558828839.db2.gz VUEMDAFZXJWOQL-UHFFFAOYSA-N 0 0 404.879 4.951 50 0 HJAARN CC(=O)Nc1nc2ccc(NC(=O)Nc3cccc(Br)c3)cc2s1 ZINC000033008132 558828861 /nfs/dbraw/zinc/82/88/61/558828861.db2.gz QUEJMJNQQKKRGF-UHFFFAOYSA-N 0 0 405.277 4.661 50 0 HJAARN Cc1cc2ccccc2n1CC(=O)OCC(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000010622146 558829133 /nfs/dbraw/zinc/82/91/33/558829133.db2.gz HTPALEUECXGWNG-UHFFFAOYSA-N 0 0 419.506 4.564 50 0 HJAARN O=C(CCOCC(F)(F)F)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000060302914 558829145 /nfs/dbraw/zinc/82/91/45/558829145.db2.gz SRUXJIXSJCLGMV-UHFFFAOYSA-N 0 0 421.246 4.886 50 0 HJAARN CCOc1ccc(N2C(=O)C(=Cc3cc(C)n(C4CCCC4)c3C)NC2=S)cc1 ZINC000000664634 558829890 /nfs/dbraw/zinc/82/98/90/558829890.db2.gz FFMWTWWXZAFBHT-KGENOOAVSA-N 0 0 409.555 4.881 50 0 HJAARN C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)NCC1CCCCC1 ZINC000004596937 558832830 /nfs/dbraw/zinc/83/28/30/558832830.db2.gz JFNRMGRGKJCZDK-AWEZNQCLSA-N 0 0 402.539 4.596 50 0 HJAARN CSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 ZINC000004596952 558832938 /nfs/dbraw/zinc/83/29/38/558832938.db2.gz MOWJUDJVMBRENS-UHFFFAOYSA-N 0 0 414.531 4.872 50 0 HJAARN O=C(c1nn2c(c1Cl)N[C@@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F)N1CCCC1 ZINC000000867010 558835766 /nfs/dbraw/zinc/83/57/66/558835766.db2.gz IXSORWZQEOSZMV-OLZOCXBDSA-N 0 0 416.806 4.572 50 0 HJAARN Cc1ccccc1NC(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl ZINC000000851596 558835842 /nfs/dbraw/zinc/83/58/42/558835842.db2.gz CUFKZEZYSBHPFX-UHFFFAOYSA-N 0 0 400.887 4.702 50 0 HJAARN CCCCCc1c(C)nn(-c2nc(CC(=O)Nc3cccc(OC)c3)cs2)c1C ZINC000033019362 558835905 /nfs/dbraw/zinc/83/59/05/558835905.db2.gz AJYLQHXFXFQSBZ-UHFFFAOYSA-N 0 0 412.559 4.868 50 0 HJAARN COc1ccc(-c2ccc(SCc3nc(-c4cccs4)no3)nn2)cc1OC ZINC000033022075 558837247 /nfs/dbraw/zinc/83/72/47/558837247.db2.gz PJKWFUTXQDLPMZ-UHFFFAOYSA-N 0 0 412.496 4.565 50 0 HJAARN Cc1ccccc1NC(=O)Nc1cc2c(cc1Oc1ccccc1)n(C)c(=O)n2C ZINC000046009386 558839040 /nfs/dbraw/zinc/83/90/40/558839040.db2.gz LINHHIJZRLQYDZ-UHFFFAOYSA-N 0 0 402.454 4.622 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1 ZINC000004601806 558842393 /nfs/dbraw/zinc/84/23/93/558842393.db2.gz HXFANCSWRGFUEV-UHFFFAOYSA-N 0 0 409.902 4.508 50 0 HJAARN Cc1ccc(S(=O)(=O)N2CCCc3cc(C(=O)Nc4ccc(F)cc4)ccc32)cc1 ZINC000013583678 558845400 /nfs/dbraw/zinc/84/54/00/558845400.db2.gz BLNOLTWBKVLPID-UHFFFAOYSA-N 0 0 424.497 4.528 50 0 HJAARN Cc1cccn2c(=O)cc(CSc3ccccc3NC(=O)c3ccc(F)cc3)nc12 ZINC000033026007 558846942 /nfs/dbraw/zinc/84/69/42/558846942.db2.gz VNSHZUVEVJBHBZ-UHFFFAOYSA-N 0 0 419.481 4.687 50 0 HJAARN Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Nc4ccccc4)nc3)C2)cc1 ZINC000060333366 558849304 /nfs/dbraw/zinc/84/93/04/558849304.db2.gz RLKGTQNEXHRUNE-FQEVSTJZSA-N 0 0 414.509 4.625 50 0 HJAARN Cc1c([C@H](C)NCc2sc(N3CCCC3)nc2Cl)cnn1-c1cccc(F)c1 ZINC000019227750 558852837 /nfs/dbraw/zinc/85/28/37/558852837.db2.gz HSLXHXWVYSVJSC-ZDUSSCGKSA-N 0 0 419.957 4.881 50 0 HJAARN COc1ccc(C2=N[C@H](C(Cl)(Cl)Cl)N=C(C(Cl)(Cl)Cl)N2)cc1 ZINC000019227943 558853012 /nfs/dbraw/zinc/85/30/12/558853012.db2.gz QZDIPJGJSGEEIF-VIFPVBQESA-N 0 0 423.942 4.510 50 0 HJAARN Cc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)N4CCC(C)CC4)c3)C2)cc1 ZINC000033034920 558858844 /nfs/dbraw/zinc/85/88/44/558858844.db2.gz OWQBDXJHBDYYEQ-DEOSSOPVSA-N 0 0 404.554 4.887 50 0 HJAARN CCCC(=O)Nc1ccc(CNC(=O)c2ccccc2NC(=O)c2cccs2)cc1 ZINC000071960177 558859496 /nfs/dbraw/zinc/85/94/96/558859496.db2.gz IPKCLUSDMIJRDJ-UHFFFAOYSA-N 0 0 421.522 4.669 50 0 HJAARN COc1cccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(OC)c2)c1 ZINC000004616231 558860160 /nfs/dbraw/zinc/86/01/60/558860160.db2.gz IWFULUCNQGJGFK-UHFFFAOYSA-N 0 0 416.433 4.955 50 0 HJAARN CCC(C)(C)NC(=O)c1ccc(-n2nc(C)c(-c3ccccc3)c2NC(C)=O)cc1 ZINC000033037087 558861328 /nfs/dbraw/zinc/86/13/28/558861328.db2.gz QAZIWLLSYQGALC-UHFFFAOYSA-N 0 0 404.514 4.725 50 0 HJAARN CCOc1ccc(-c2cc3c(=O)n(Cc4cc(F)cc(F)c4)ccn3n2)cc1Cl ZINC000072329619 558865121 /nfs/dbraw/zinc/86/51/21/558865121.db2.gz QBURGTCVCOTKHE-UHFFFAOYSA-N 0 0 415.827 4.542 50 0 HJAARN Cc1cccc(-n2c(S[C@H]3CCCCNC3=O)nnc2-c2ccc(Cl)cc2)c1 ZINC000022201746 558865299 /nfs/dbraw/zinc/86/52/99/558865299.db2.gz XRGSQXZZUKYOGW-SFHVURJKSA-N 0 0 412.946 4.657 50 0 HJAARN C[C@@H](CCc1ccccc1)NC(=O)C1CCN(c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000033071167 558866601 /nfs/dbraw/zinc/86/66/01/558866601.db2.gz SVOFPXNAHRFMQZ-INIZCTEOSA-N 0 0 410.949 4.570 50 0 HJAARN CCc1cc2c(ncnc2N2CCC[C@H](C(=O)Nc3cccc(Cl)c3)C2)s1 ZINC000033078248 558867781 /nfs/dbraw/zinc/86/77/81/558867781.db2.gz ZZFIHHUNIQVKRT-ZDUSSCGKSA-N 0 0 400.935 4.762 50 0 HJAARN CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccc(OCc3ccccc3)cc1)C2=O ZINC000019327382 558868034 /nfs/dbraw/zinc/86/80/34/558868034.db2.gz PLHBDXRKXUYROR-UHFFFAOYSA-N 0 0 418.581 4.763 50 0 HJAARN Cc1c(C(=O)NCc2ccccc2Cl)sc2ncnc(N3CCCCCC3)c12 ZINC000033078847 558868127 /nfs/dbraw/zinc/86/81/27/558868127.db2.gz FNXTWQPBRSITIA-UHFFFAOYSA-N 0 0 414.962 4.964 50 0 HJAARN Cc1c(C(=O)NCc2cccc(F)c2)sc2ncnc(N(C)C3CCCCC3)c12 ZINC000033078900 558868317 /nfs/dbraw/zinc/86/83/17/558868317.db2.gz APBVAPVEXPTKSD-UHFFFAOYSA-N 0 0 412.534 4.838 50 0 HJAARN Cc1ccc2[nH]c3c(ncnc3SCC(=O)N[C@H](C)CCc3ccccc3)c2c1 ZINC000072331966 558868630 /nfs/dbraw/zinc/86/86/30/558868630.db2.gz MOZRTBIWJZKYDU-MRXNPFEDSA-N 0 0 404.539 4.649 50 0 HJAARN CCC[C@@H](NC(=O)CCc1nnc(Cc2c[nH]c3ccccc23)o1)c1ccccc1 ZINC000019334779 558869402 /nfs/dbraw/zinc/86/94/02/558869402.db2.gz KMWZEBNMZYMGFI-HXUWFJFHSA-N 0 0 402.498 4.732 50 0 HJAARN COc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2F)c1OC ZINC000004659651 558873304 /nfs/dbraw/zinc/87/33/04/558873304.db2.gz RXBOVXVMGPSVNR-CCEZHUSRSA-N 0 0 402.425 4.712 50 0 HJAARN COc1cccc(/C=C2/Sc3ccc(C(=O)N4C[C@H](C)C[C@@H](C)C4)cc3NC2=O)c1 ZINC000004668554 558876953 /nfs/dbraw/zinc/87/69/53/558876953.db2.gz DWEVIWBNVOCPMV-QBNDSOGLSA-N 0 0 422.550 4.899 50 0 HJAARN CN(Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)Cc1cnccn1 ZINC000055245290 558877228 /nfs/dbraw/zinc/87/72/28/558877228.db2.gz FYZIBQYAAMFUKW-UHFFFAOYSA-N 0 0 409.493 4.767 50 0 HJAARN Cc1cc(S(=O)(=O)Nc2ccccc2CCc2nc3ccccc3[nH]2)ccc1F ZINC000033116535 558877653 /nfs/dbraw/zinc/87/76/53/558877653.db2.gz KIQKFTMAZIOSPJ-UHFFFAOYSA-N 0 0 409.486 4.596 50 0 HJAARN FC(F)(F)c1cccc(N2CCN(Cc3nc(-c4cccc(Cl)c4)no3)CC2)c1 ZINC000055270506 558878121 /nfs/dbraw/zinc/87/81/21/558878121.db2.gz PMTCJYLWGITONT-UHFFFAOYSA-N 0 0 422.838 4.731 50 0 HJAARN O=c1c(CN2CCN(c3ccc(F)cc3)CC2)coc2c(Cl)cc(Cl)cc12 ZINC000055292147 558878565 /nfs/dbraw/zinc/87/85/65/558878565.db2.gz QQVLRMPSHCAWSQ-UHFFFAOYSA-N 0 0 407.272 4.561 50 0 HJAARN COc1ccccc1-c1nc(-c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)no1 ZINC000033122860 558879364 /nfs/dbraw/zinc/87/93/64/558879364.db2.gz RZKCWGZNQQGYMN-UHFFFAOYSA-N 0 0 421.478 4.521 50 0 HJAARN Cc1ccsc1CNc1ccc(C(=O)N2CCC[C@@H](Cn3ccnc3C)C2)cc1 ZINC000055369254 558880368 /nfs/dbraw/zinc/88/03/68/558880368.db2.gz IOSMEELBMPJASO-IBGZPJMESA-N 0 0 408.571 4.726 50 0 HJAARN O=C(Nc1ccccc1Cl)N[C@H](C(=O)N1CCc2ccccc21)c1ccccc1 ZINC000033127814 558881065 /nfs/dbraw/zinc/88/10/65/558881065.db2.gz IKTDXAOYLHNTAM-NRFANRHFSA-N 0 0 405.885 4.792 50 0 HJAARN Cc1ccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCc3ccccc32)c(C)c1 ZINC000033127980 558881415 /nfs/dbraw/zinc/88/14/15/558881415.db2.gz RXGMBBLKVBRTJZ-HSZRJFAPSA-N 0 0 413.521 4.626 50 0 HJAARN CCc1ccccc1NC(=O)[C@H](C)Sc1ccc(=O)n(-c2ccc(C)c(C)c2)n1 ZINC000033128077 558881555 /nfs/dbraw/zinc/88/15/55/558881555.db2.gz UXLPBKHBMVKLPC-KRWDZBQOSA-N 0 0 407.539 4.531 50 0 HJAARN Cc1ccc(-n2nc(S[C@H](C)C(=O)Nc3cccc(Cl)c3)ccc2=O)cc1C ZINC000033128060 558881616 /nfs/dbraw/zinc/88/16/16/558881616.db2.gz ASRZARAGHHKONI-OAHLLOKOSA-N 0 0 413.930 4.622 50 0 HJAARN Cc1ccc(NC(=O)CSc2ccc(=O)n(-c3ccc(C(C)C)cc3)n2)cc1F ZINC000033128442 558882243 /nfs/dbraw/zinc/88/22/43/558882243.db2.gz CSDQBZKACZOZRQ-UHFFFAOYSA-N 0 0 411.502 4.534 50 0 HJAARN CC(C)c1ccc(-n2nc(SCC(=O)Nc3ccc(Cl)cc3)ccc2=O)cc1 ZINC000033128421 558882253 /nfs/dbraw/zinc/88/22/53/558882253.db2.gz LFWIBQWXWFOVMY-UHFFFAOYSA-N 0 0 413.930 4.740 50 0 HJAARN COc1ccccc1NC(=O)Nc1ccc2c(c1)N(C(=O)c1ccc(C)cc1)CC2 ZINC000033128644 558882445 /nfs/dbraw/zinc/88/24/45/558882445.db2.gz QQEMVQHZPHNMNT-UHFFFAOYSA-N 0 0 401.466 4.851 50 0 HJAARN CC[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2[n-]c(-c3ccc(Cl)cc3)cc2n1 ZINC000033126238 558883804 /nfs/dbraw/zinc/88/38/04/558883804.db2.gz DYNUDXLWJIYNBV-UHFFFAOYSA-N 0 0 410.880 4.504 50 0 HJAARN CC(=O)c1cccc(NC(=O)c2cccc(-c3nc(-c4ccc(F)cc4)no3)c2)c1 ZINC000033129631 558885430 /nfs/dbraw/zinc/88/54/30/558885430.db2.gz RCOCWPZYJOWHRT-UHFFFAOYSA-N 0 0 401.397 4.998 50 0 HJAARN O=C(Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21)NCCC1=CCCCC1 ZINC000033048969 558886631 /nfs/dbraw/zinc/88/66/31/558886631.db2.gz JKBZQHKVRWKZSP-UHFFFAOYSA-N 0 0 421.928 4.724 50 0 HJAARN COc1ccc(Oc2ccnc(-c3cccc(C(=O)NCc4ccccc4)c3)n2)cc1 ZINC000033130505 558886917 /nfs/dbraw/zinc/88/69/17/558886917.db2.gz UXCNFRBLEJBWPE-UHFFFAOYSA-N 0 0 411.461 4.875 50 0 biogenic HJAARN CC[C@H](Sc1nnc(-c2ccc(N)cc2)n1CC)C(=O)Nc1ccc(Cl)cc1 ZINC000004676084 558888527 /nfs/dbraw/zinc/88/85/27/558888527.db2.gz KYKNNESZZDDJBQ-KRWDZBQOSA-N 0 0 415.950 4.710 50 0 HJAARN Cc1ccc(Sc2nccnc2N2CCC[C@H](C(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000033168687 558898205 /nfs/dbraw/zinc/89/82/05/558898205.db2.gz BBXRVWGOXLXTCN-KRWDZBQOSA-N 0 0 422.529 4.930 50 0 HJAARN O=C(NC1CCCCCC1)[C@@H]1CCCN(c2nccnc2Sc2ccccc2)C1 ZINC000033168772 558898396 /nfs/dbraw/zinc/89/83/96/558898396.db2.gz NMAAQACOJTXIMC-GOSISDBHSA-N 0 0 410.587 4.683 50 0 HJAARN Cc1cccc(NC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3)C2)c1C ZINC000033168994 558898816 /nfs/dbraw/zinc/89/88/16/558898816.db2.gz FOOFFCQYSUFLPO-IBGZPJMESA-N 0 0 402.498 4.741 50 0 HJAARN CSc1cccc(NC(=O)CN2C(=O)S/C(=C\C=C\c3ccccc3)C2=O)c1 ZINC000004698722 558907001 /nfs/dbraw/zinc/90/70/01/558907001.db2.gz FIDCQHVEXCLORU-BIMFAPAISA-N 0 0 410.520 4.640 50 0 HJAARN Cc1ccc(NC(=O)COCC(=O)Nc2cccc(Cl)c2Cl)cc1Cl ZINC000004700075 558907810 /nfs/dbraw/zinc/90/78/10/558907810.db2.gz BRMUZJOKGHACNG-UHFFFAOYSA-N 0 0 401.677 4.549 50 0 HJAARN O=C(c1cnn2ccccc12)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000071745576 558908269 /nfs/dbraw/zinc/90/82/69/558908269.db2.gz YSQINVQMNRLDHC-QGZVFWFLSA-N 0 0 401.432 4.838 50 0 HJAARN C[C@@H](NCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(F)cc1F ZINC000058175428 558909183 /nfs/dbraw/zinc/90/91/83/558909183.db2.gz HXZMDUBNCIFUPB-CQSZACIVSA-N 0 0 402.441 4.686 50 0 HJAARN CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3cccc4cnccc43)nc2)C1 ZINC000071762988 558910349 /nfs/dbraw/zinc/91/03/49/558910349.db2.gz OKHLYYTZPSDYQO-HXUWFJFHSA-N 0 0 401.510 4.764 50 0 HJAARN COc1cccc(C(O)(c2cccc(OC)c2)c2cc(Cl)ccc2NC(C)=O)c1 ZINC000071770447 558911350 /nfs/dbraw/zinc/91/13/50/558911350.db2.gz DGAJKZULFAKUOM-UHFFFAOYSA-N 0 0 411.885 4.600 50 0 HJAARN Cc1c(C(=O)N[C@H](c2nc(-c3ccncc3)no2)C(C)C)sc2cccc(F)c12 ZINC000058245069 558914482 /nfs/dbraw/zinc/91/44/82/558914482.db2.gz PCQWACRFTSEIRP-KRWDZBQOSA-N 0 0 410.474 4.921 50 0 HJAARN O=C(NCCc1cccc(Cl)c1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000058245256 558914498 /nfs/dbraw/zinc/91/44/98/558914498.db2.gz MTXNJLRGRGHNGN-UHFFFAOYSA-N 0 0 405.885 4.539 50 0 HJAARN C[C@H]1CCCC[C@H]1OCCNC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000058269003 558916254 /nfs/dbraw/zinc/91/62/54/558916254.db2.gz SCRVFBVYMVFLIT-PGRDOPGGSA-N 0 0 409.530 4.680 50 0 HJAARN C[C@H](NC(=O)C1(NC(=O)OCc2ccccc2)CCCC1)c1ccccc1Cl ZINC000058300467 558917752 /nfs/dbraw/zinc/91/77/52/558917752.db2.gz XXDLTUDCZNBJTH-INIZCTEOSA-N 0 0 400.906 4.756 50 0 HJAARN CC[C@@H](C(=O)N(CC)c1cccc(C)c1)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000033251030 558919356 /nfs/dbraw/zinc/91/93/56/558919356.db2.gz QYARMFDGIOTHRU-KRWDZBQOSA-N 0 0 417.431 4.728 50 0 HJAARN CCOC(=O)c1ccc(Nc2nc(N)c(C(=O)c3ccccc3Cl)s2)cc1 ZINC000033251630 558919722 /nfs/dbraw/zinc/91/97/22/558919722.db2.gz OSTMTAQPLJGODM-UHFFFAOYSA-N 0 0 401.875 4.530 50 0 HJAARN Cc1cc2nc(C(F)(F)F)c(=O)n([C@@H](C)C(=O)Nc3c(C)cccc3C)c2cc1C ZINC000033251138 558919725 /nfs/dbraw/zinc/91/97/25/558919725.db2.gz JYFSNVWUULVILA-HNNXBMFYSA-N 0 0 417.431 4.849 50 0 HJAARN CCOc1ccc(C(=O)c2sc(Nc3ccc(OC)c(Cl)c3)nc2N)cc1 ZINC000033251678 558919740 /nfs/dbraw/zinc/91/97/40/558919740.db2.gz XFOAZCXFHPDOGK-UHFFFAOYSA-N 0 0 403.891 4.761 50 0 HJAARN FC(F)(F)CNc1nnc(SCc2cc(Cl)c3c(c2)OCCCO3)s1 ZINC000058342506 558920572 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Cc1nc(-c2cc(S(=O)(=O)NCCCc3ccccc3)c(C)s2)sc1C ZINC000033290048 559047084 /nfs/dbraw/zinc/04/70/84/559047084.db2.gz QROXKCRTMWRAQD-UHFFFAOYSA-N 0 0 406.598 4.708 50 0 HJAARN Cc1oc(-c2ccccc2)nc1Cn1nnc(-c2nc(-c3ccc(C)cc3)no2)c1C ZINC000033296817 559047440 /nfs/dbraw/zinc/04/74/40/559047440.db2.gz RLRQETHRJVEXLR-UHFFFAOYSA-N 0 0 412.453 4.624 50 0 HJAARN Cc1oc(-c2ccc(C)cc2)nc1Cn1nnc(-c2nc(-c3ccccc3)no2)c1C ZINC000033296853 559047483 /nfs/dbraw/zinc/04/74/83/559047483.db2.gz XFPHYCXXGKIGBH-UHFFFAOYSA-N 0 0 412.453 4.624 50 0 HJAARN CCOc1ccc(-c2noc(Cc3nc(-c4ccc5c(c4)OCO5)cs3)n2)cc1 ZINC000033298207 559047790 /nfs/dbraw/zinc/04/77/90/559047790.db2.gz PNKJGDPZQWUDCI-UHFFFAOYSA-N 0 0 407.451 4.578 50 0 HJAARN CCOc1ccc(-c2csc(Cc3nc(-c4ccc(OC)c(F)c4)no3)n2)cc1 ZINC000033298251 559047932 /nfs/dbraw/zinc/04/79/32/559047932.db2.gz FOMGJDCQZRCZHN-UHFFFAOYSA-N 0 0 411.458 4.997 50 0 HJAARN Cc1cc2c(ccnc2N2CCC[C@H](C(=O)N[C@H](C)CCc3ccccc3)C2)s1 ZINC000033299580 559049479 /nfs/dbraw/zinc/04/94/79/559049479.db2.gz DVCFJSISXPILPC-XLIONFOSSA-N 0 0 407.583 4.959 50 0 HJAARN Cc1ccc(-n2ccc(=O)c(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)n2)cc1C ZINC000033300403 559050013 /nfs/dbraw/zinc/05/00/13/559050013.db2.gz OOPRGZVETRGZSK-UHFFFAOYSA-N 0 0 412.371 4.585 50 0 HJAARN Cc1ccc(-c2noc(-c3ccccc3S(=O)(=O)Nc3ccccc3F)n2)cc1 ZINC000033307038 559051913 /nfs/dbraw/zinc/05/19/13/559051913.db2.gz SMAINDIHJBCHFB-UHFFFAOYSA-N 0 0 409.442 4.652 50 0 HJAARN CC(C)c1ccc(CNC(=O)c2cccc(-c3nccnc3N3CCCC3)c2)cc1 ZINC000033313019 559055031 /nfs/dbraw/zinc/05/50/31/559055031.db2.gz UHIVMJLEXZAMBQ-UHFFFAOYSA-N 0 0 400.526 4.797 50 0 HJAARN Cc1ccc(CNC(=O)c2ccc(-c3nccnc3N3CCCCC3)cc2)cc1C ZINC000033313149 559055177 /nfs/dbraw/zinc/05/51/77/559055177.db2.gz XJCSDMRNSRFHCY-UHFFFAOYSA-N 0 0 400.526 4.681 50 0 HJAARN Cc1nc(Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc(N2CCCCC2)n1 ZINC000033318343 559055868 /nfs/dbraw/zinc/05/58/68/559055868.db2.gz OWJZPXWWUVQQPU-UHFFFAOYSA-N 0 0 401.514 4.700 50 0 HJAARN CC1CCN(C(=O)COc2ccccc2-c2noc(-c3cccc(Cl)c3)n2)CC1 ZINC000033325219 559058735 /nfs/dbraw/zinc/05/87/35/559058735.db2.gz OMXQQBNORJKSRC-UHFFFAOYSA-N 0 0 411.889 4.694 50 0 HJAARN Cc1nc2nc(-c3ccc(C(C)(C)C)cc3)nn2c(C)c1CC(=O)Nc1ccccc1 ZINC000086069950 559059405 /nfs/dbraw/zinc/05/94/05/559059405.db2.gz IPHPEGOJCYOCAN-UHFFFAOYSA-N 0 0 413.525 4.887 50 0 HJAARN CCCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1OC ZINC000011361860 559061664 /nfs/dbraw/zinc/06/16/64/559061664.db2.gz RSJZBLSIKWOXNF-UHFFFAOYSA-N 0 0 408.454 4.972 50 0 HJAARN Cc1ccccc1CN1c2ccc(Cl)cc2[C@@](O)(CC(=O)c2ccccc2)C1=O ZINC000004784323 559063069 /nfs/dbraw/zinc/06/30/69/559063069.db2.gz OMBVPNSTMBFDQL-DEOSSOPVSA-N 0 0 405.881 4.656 50 0 HJAARN Cc1ccc(/C=C\C(=O)NC2CCC(NC(=O)/C=C\c3ccc(C)cc3)CC2)cc1 ZINC000033332727 559063238 /nfs/dbraw/zinc/06/32/38/559063238.db2.gz WDGLYDUVXKTXOY-WHYMJUELSA-N 0 0 402.538 4.574 50 0 HJAARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(Br)cc1 ZINC000004785339 559063419 /nfs/dbraw/zinc/06/34/19/559063419.db2.gz JSGOPSDSSPURFF-UHFFFAOYSA-N 0 0 406.667 4.724 50 0 HJAARN CC(C)(C)C(=O)N1CCC(C(=O)Nc2nc3c(ccc(Cl)c3Cl)s2)CC1 ZINC000011378829 559067408 /nfs/dbraw/zinc/06/74/08/559067408.db2.gz XGZLYPYJLUEFPE-UHFFFAOYSA-N 0 0 414.358 4.826 50 0 HJAARN C[C@H](OC(=O)c1cc(-c2ccco2)nc2ccccc21)C(=O)N[C@@H](C)c1ccccc1 ZINC000011398459 559070524 /nfs/dbraw/zinc/07/05/24/559070524.db2.gz NBZRNBJXUYDXBC-IRXDYDNUSA-N 0 0 414.461 4.918 50 0 HJAARN CC[C@H](C)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)c(N)cc2OC)cc1 ZINC000011458266 559077091 /nfs/dbraw/zinc/07/70/91/559077091.db2.gz WOAPZPMRQAXNGW-QWHCGFSZSA-N 0 0 404.894 4.628 50 0 HJAARN O=C(CSc1ccc(Cl)cc1)NCc1ccc(COCC(F)(F)F)cc1 ZINC000011483511 559078129 /nfs/dbraw/zinc/07/81/29/559078129.db2.gz DMLUPCCBANHJPF-UHFFFAOYSA-N 0 0 403.853 4.827 50 0 HJAARN CCOC(=O)Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1Br ZINC000095630443 559087780 /nfs/dbraw/zinc/08/77/80/559087780.db2.gz HEUUWFSJPFDEQG-UHFFFAOYSA-N 0 0 410.211 4.577 50 0 HJAARN Cc1cccc(C)c1OCc1nnc(SCC(=O)NC2CCCCC2)n1C(C)C ZINC000004816387 559088781 /nfs/dbraw/zinc/08/87/81/559088781.db2.gz PGQHTHIJOLFUFU-UHFFFAOYSA-N 0 0 416.591 4.596 50 0 HJAARN CC(C)(C)C(=O)Nc1nnc(SCC(=O)c2cccc(C(F)(F)F)c2)s1 ZINC000096280180 559108594 /nfs/dbraw/zinc/10/85/94/559108594.db2.gz XLEKUVCPZWFEED-UHFFFAOYSA-N 0 0 403.451 4.517 50 0 HJAARN COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccncc2)cc1 ZINC000096523226 559111184 /nfs/dbraw/zinc/11/11/84/559111184.db2.gz CLDRJCXRFSTTGX-UHFFFAOYSA-N 0 0 403.526 4.506 50 0 HJAARN COc1ccc([C@@H]2C[C@H](c3ccc(C)cc3)n3ncnc3N2C(=O)CC(C)C)cc1 ZINC000004816576 559113316 /nfs/dbraw/zinc/11/33/16/559113316.db2.gz FLFQELOVRNPQNR-FCHUYYIVSA-N 0 0 404.514 4.709 50 0 HJAARN O=C(N[C@H]1C[C@H]1c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000023308955 559114315 /nfs/dbraw/zinc/11/43/15/559114315.db2.gz PVLYVMFLILZMSG-DQEYMECFSA-N 0 0 411.549 4.659 50 0 HJAARN Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 ZINC000023320706 559125888 /nfs/dbraw/zinc/12/58/88/559125888.db2.gz HUOWWGLXSGGTQP-DEOSSOPVSA-N 0 0 406.476 4.821 50 0 HJAARN Cc1cc(F)cc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c1 ZINC000098072703 559126413 /nfs/dbraw/zinc/12/64/13/559126413.db2.gz CXFOTPRNECCVSI-UHFFFAOYSA-N 0 0 412.202 4.716 50 0 HJAARN Cc1cc(C)c(C(=O)N2CCC[C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)[nH]1 ZINC000011661481 559127093 /nfs/dbraw/zinc/12/70/93/559127093.db2.gz JKVPMBRNUILDGI-HXUWFJFHSA-N 0 0 415.537 4.581 50 0 HJAARN Cc1cccc(Cl)c1NC(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000098211442 559127400 /nfs/dbraw/zinc/12/74/00/559127400.db2.gz UKOJJCPZGIMZQP-UHFFFAOYSA-N 0 0 410.836 4.945 50 0 HJAARN N=c1oc2ccccc2cc1Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 ZINC000098212124 559127594 /nfs/dbraw/zinc/12/75/94/559127594.db2.gz SXPGDUNSFBYRET-UHFFFAOYSA-N 0 0 415.449 4.902 50 0 HJAARN Cc1nc2ccccc2n1[C@H]1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O ZINC000100769156 559140070 /nfs/dbraw/zinc/14/00/70/559140070.db2.gz GGOHXTAHLUDSOK-INIZCTEOSA-N 0 0 407.779 4.522 50 0 HJAARN Fc1cccc(Cl)c1[C@@H]1CC(c2ccc(Br)cc2)=Nc2ncnn21 ZINC000100960460 559142263 /nfs/dbraw/zinc/14/22/63/559142263.db2.gz JASUPOUQOUJFDT-HNNXBMFYSA-N 0 0 405.658 4.889 50 0 HJAARN COc1ccc(CC(=O)Nc2c(=O)oc3ccccc3c2NCc2ccccc2)cc1 ZINC000101094615 559143260 /nfs/dbraw/zinc/14/32/60/559143260.db2.gz AGSQBNZKHSJOCP-UHFFFAOYSA-N 0 0 414.461 4.595 50 0 HJAARN CCc1ccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NC2CCCC2)cc1 ZINC000101095642 559143265 /nfs/dbraw/zinc/14/32/65/559143265.db2.gz KIDNRDFXPHYSFZ-UHFFFAOYSA-N 0 0 412.511 4.511 50 0 HJAARN O=c1oc2ccccc2c(NC2CCCC2)c1NS(=O)(=O)c1cccc(Cl)c1 ZINC000101094453 559143293 /nfs/dbraw/zinc/14/32/93/559143293.db2.gz PTLWHYMICLSYEM-UHFFFAOYSA-N 0 0 418.902 4.602 50 0 HJAARN COc1cccc(CC(=O)Nc2c(=O)oc3ccccc3c2NCc2ccccc2)c1 ZINC000101094725 559143302 /nfs/dbraw/zinc/14/33/02/559143302.db2.gz JANAHFAFHXUZGC-UHFFFAOYSA-N 0 0 414.461 4.595 50 0 HJAARN CCn1c(SCC(=O)Nc2cccc3cccnc32)nnc1-c1cccc(C)c1 ZINC000014093424 559150588 /nfs/dbraw/zinc/15/05/88/559150588.db2.gz JECZBXOKALQILD-UHFFFAOYSA-N 0 0 403.511 4.552 50 0 HJAARN CC(C)c1ccc(-c2noc(CSc3nnc(NC[C@H]4CCCO4)s3)n2)cc1 ZINC000014109019 559151167 /nfs/dbraw/zinc/15/11/67/559151167.db2.gz VSFZXRPPVFOLBN-OAHLLOKOSA-N 0 0 417.560 4.595 50 0 HJAARN C[C@H]1CN(Cc2csc(NC(=O)C(c3ccccc3)c3ccccc3)n2)C[C@H](C)O1 ZINC000014121685 559152066 /nfs/dbraw/zinc/15/20/66/559152066.db2.gz VUUVJLSLMQWFSD-ROUUACIJSA-N 0 0 421.566 4.523 50 0 HJAARN Cc1ccc(-n2c(/C=C3/c4cc(C)ccc4N(C)C3=O)nc3ccccc3c2=O)cc1 ZINC000033400985 559163855 /nfs/dbraw/zinc/16/38/55/559163855.db2.gz YDWRXGQYNFWGIN-QNGOZBTKSA-N 0 0 407.473 4.520 50 0 HJAARN C[C@@H]1C[C@H](C)CN(C(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc32)C1 ZINC000014360925 559165049 /nfs/dbraw/zinc/16/50/49/559165049.db2.gz BVUNBMMZCPZZDS-IYBDPMFKSA-N 0 0 408.523 4.625 50 0 HJAARN Cc1cccc(Nc2nnc(SCC(=O)NCc3ccc(Cl)cc3)s2)c1 ZINC000004838456 559166629 /nfs/dbraw/zinc/16/66/29/559166629.db2.gz BIEARLWOWHIICG-UHFFFAOYSA-N 0 0 404.948 4.652 50 0 HJAARN Cc1cccc2c(C3CCN(S(=O)(=O)c4cc(F)c(F)cc4Cl)CC3)c[nH]c21 ZINC000023332363 559170628 /nfs/dbraw/zinc/17/06/28/559170628.db2.gz HIMKLOVTEZLOPV-UHFFFAOYSA-N 0 0 424.900 4.976 50 0 HJAARN CCCCc1c(C)nn(-c2nc(C)c(C(=O)Nc3ccc(N(C)C)cc3)s2)c1C ZINC000014608846 559170832 /nfs/dbraw/zinc/17/08/32/559170832.db2.gz ZELQYDCMGVFVTG-UHFFFAOYSA-N 0 0 411.575 4.915 50 0 HJAARN CCC[C@@H](C)NC(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccccc2C)cc1 ZINC000023334901 559172793 /nfs/dbraw/zinc/17/27/93/559172793.db2.gz VXLCJFJHISVTMT-GOSISDBHSA-N 0 0 419.525 4.943 50 0 HJAARN CCCCN(C)C(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccccc2C)cc1 ZINC000023335186 559172914 /nfs/dbraw/zinc/17/29/14/559172914.db2.gz ACSBIQTZPFMYCX-UHFFFAOYSA-N 0 0 419.525 4.897 50 0 HJAARN CCOc1ccc(C(C)=O)cc1CSCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000023414408 559173915 /nfs/dbraw/zinc/17/39/15/559173915.db2.gz MIRJYVIXMXZUCU-UHFFFAOYSA-N 0 0 401.572 4.606 50 0 HJAARN O=S(=O)(Oc1ccc(Cl)c2cccnc12)c1ccccc1OC(F)(F)F ZINC000023401044 559173939 /nfs/dbraw/zinc/17/39/39/559173939.db2.gz LUALRJODZKOMOV-UHFFFAOYSA-N 0 0 403.765 4.555 50 0 HJAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc(F)c2)cc1 ZINC000023435424 559174080 /nfs/dbraw/zinc/17/40/80/559174080.db2.gz SBXKZQRJQXUOPE-XMMPIXPASA-N 0 0 421.468 4.639 50 0 HJAARN COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)N(C(=O)Cc1ccc(F)cc1)CC2 ZINC000023426912 559174129 /nfs/dbraw/zinc/17/41/29/559174129.db2.gz BQSYLTNVYFLTFW-VWLOTQADSA-N 0 0 423.459 4.699 50 0 HJAARN COc1cc(CNC(=O)c2ccc(-c3cc(-c4ccccc4)n[nH]3)cc2)cc(OC)c1 ZINC000023438803 559174914 /nfs/dbraw/zinc/17/49/14/559174914.db2.gz MJVFCDKIRPIQFH-UHFFFAOYSA-N 0 0 413.477 4.691 50 0 HJAARN COc1cccc(-c2cc(-c3ccc(C(=O)NCc4ccc(F)cc4F)cc3)n[nH]2)c1 ZINC000023443860 559175108 /nfs/dbraw/zinc/17/51/08/559175108.db2.gz COLSYRMTDGQWNB-UHFFFAOYSA-N 0 0 419.431 4.961 50 0 HJAARN CCN(CC)S(=O)(=O)c1ccc2[nH]c(CSc3ccccc3Cl)nc2c1 ZINC000023514406 559176645 /nfs/dbraw/zinc/17/66/45/559176645.db2.gz OWUWMGKZHFORSF-UHFFFAOYSA-N 0 0 409.964 4.539 50 0 HJAARN Cc1ccc(C)c(S(=O)(=O)CCN2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000023828726 559181241 /nfs/dbraw/zinc/18/12/41/559181241.db2.gz HIBWLGSRCPALAG-UHFFFAOYSA-N 0 0 414.596 4.566 50 0 HJAARN Cc1ccc([C@H]2c3cccn3CCN2S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000004854105 559192268 /nfs/dbraw/zinc/19/22/68/559192268.db2.gz GPWPVINVGCETOZ-DEOSSOPVSA-N 0 0 402.519 4.744 50 0 HJAARN CCCCCOc1ccc(C(=O)Nc2cc(C)nn2-c2nc3ccccc3[nH]2)cc1 ZINC000004865302 559193700 /nfs/dbraw/zinc/19/37/00/559193700.db2.gz JPYGKHMBXXMEMJ-UHFFFAOYSA-N 0 0 403.486 4.878 50 0 HJAARN Cc1cccc(Cn2c3sc4c(c3c(=O)n(-c3ccc(C)c(C)c3)c2=O)CCC4)c1 ZINC000004877793 559195618 /nfs/dbraw/zinc/19/56/18/559195618.db2.gz RTRXDIVZQFXFBH-UHFFFAOYSA-N 0 0 416.546 4.676 50 0 HJAARN CCCCCSc1nc2n(n1)[C@H](c1ccc(F)cc1)C(C(=O)OCC)C(C)=N2 ZINC000004879169 559196063 /nfs/dbraw/zinc/19/60/63/559196063.db2.gz VUNBOLGRFCQBLV-QGZVFWFLSA-N 0 0 404.511 4.552 50 0 HJAARN Cc1cc(C)cc(-n2c(=O)c3sccc3n(Cc3ccc(F)cc3Cl)c2=O)c1 ZINC000004882416 559197277 /nfs/dbraw/zinc/19/72/77/559197277.db2.gz USJJYNLAJGAVCX-UHFFFAOYSA-N 0 0 414.889 4.672 50 0 HJAARN CN(CCc1ccccn1)Cn1nc(-c2ccccc2)n(-c2ccc(F)cc2)c1=S ZINC000004883124 559197472 /nfs/dbraw/zinc/19/74/72/559197472.db2.gz KUTNCLSYRWQFCJ-UHFFFAOYSA-N 0 0 419.529 4.736 50 0 HJAARN CC1(C)N=C(SCC(=O)Nc2ccc(Br)cc2)C(c2ccccc2)=N1 ZINC000004890960 559198467 /nfs/dbraw/zinc/19/84/67/559198467.db2.gz CLQVSQUCGRAKSN-UHFFFAOYSA-N 0 0 416.344 4.758 50 0 HJAARN O=C1C[C@H](c2nc3ccccc3n2CCOc2ccccc2)CN1Cc1ccccc1 ZINC000004903458 559200138 /nfs/dbraw/zinc/20/01/38/559200138.db2.gz JBNPNVYATCJYRA-NRFANRHFSA-N 0 0 411.505 4.631 50 0 HJAARN Cc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c(C)c1 ZINC000004910796 559202407 /nfs/dbraw/zinc/20/24/07/559202407.db2.gz LLNIAQNXQKGBRI-LJQANCHMSA-N 0 0 405.542 4.847 50 0 HJAARN O=C(NCCCc1ccccc1)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1 ZINC000004911630 559203581 /nfs/dbraw/zinc/20/35/81/559203581.db2.gz DPZVAXBDLSLHAS-UHFFFAOYSA-N 0 0 402.523 4.613 50 0 HJAARN CCn1cc(/C=C(\NC(=O)c2ccccc2)C(=O)NCc2ccccc2)c2ccccc21 ZINC000004919060 559204644 /nfs/dbraw/zinc/20/46/44/559204644.db2.gz RAIBNUOQKGXFRK-ULJHMMPZSA-N 0 0 423.516 4.749 50 0 HJAARN CCn1ncc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)c1C ZINC000118928073 559206232 /nfs/dbraw/zinc/20/62/32/559206232.db2.gz VKRFPVDWWWRUGS-UVGLSGDHSA-N 0 0 410.602 4.889 50 0 HJAARN CC[C@@H](C)N(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)C1CCC1 ZINC000004920495 559207242 /nfs/dbraw/zinc/20/72/42/559207242.db2.gz VCDGGIFIBHIRCH-MRXNPFEDSA-N 0 0 419.518 4.521 50 0 HJAARN COC(=O)c1ccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)cc1 ZINC000004930932 559209710 /nfs/dbraw/zinc/20/97/10/559209710.db2.gz ZSKJSVCYVSQMHT-UHFFFAOYSA-N 0 0 409.442 4.549 50 0 HJAARN CCOc1ccccc1NC(=O)CCc1c(C)nc2cc(-c3ccccc3)nn2c1C ZINC000004935252 559210218 /nfs/dbraw/zinc/21/02/18/559210218.db2.gz XUOFYFSYZXCXQX-UHFFFAOYSA-N 0 0 414.509 4.983 50 0 HJAARN Cc1nn2c(nc(C)c(CCC(=O)N3CCc4ccccc43)c2C)c1-c1ccccc1 ZINC000004935810 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O=C(NCc1nccn1CCCc1ccccc1)Nc1cccc(OC(F)(F)F)c1 ZINC000079051630 560541548 /nfs/dbraw/zinc/54/15/48/560541548.db2.gz QBGPRNOXZVFYEP-UHFFFAOYSA-N 0 0 418.419 4.736 50 0 HJAARN COc1ccc(Cl)cc1C(=O)OCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000005245291 560550360 /nfs/dbraw/zinc/55/03/60/560550360.db2.gz SYVMTJBFWSFJPB-UHFFFAOYSA-N 0 0 411.841 4.936 50 0 HJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(F)c(NC(=O)c2ccc(Cl)cc2)c1 ZINC000005259077 560551201 /nfs/dbraw/zinc/55/12/01/560551201.db2.gz MTAFWWKYMVWJGF-UHFFFAOYSA-N 0 0 407.832 4.739 50 0 HJAARN CCC[C@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc32)o1)c1ccccc1 ZINC000005262543 560552957 /nfs/dbraw/zinc/55/29/57/560552957.db2.gz MKPYPPSUGDYTNR-SFHVURJKSA-N 0 0 406.511 4.968 50 0 HJAARN CC[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)n1cnc2ccccc2c1=O ZINC000005269774 560560324 /nfs/dbraw/zinc/56/03/24/560560324.db2.gz ABHZQPGRKOZNIA-INIZCTEOSA-N 0 0 409.795 4.659 50 0 HJAARN CC1CCN(C(=S)c2cn(CCOc3ccc4c(c3)OCO4)c3ccccc23)CC1 ZINC000001015240 560560733 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CC(C)CCC[C@@H](C)NC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc21 ZINC000005554373 560608947 /nfs/dbraw/zinc/60/89/47/560608947.db2.gz RYTRTBGHTVYRJW-MRXNPFEDSA-N 0 0 419.529 4.753 50 0 HJAARN COc1ccc(C[C@H](C(=O)Nc2ccccn2)c2nc3ccccc3s2)cc1OC ZINC000005570208 560616244 /nfs/dbraw/zinc/61/62/44/560616244.db2.gz XCHFDWGJOPPBCM-MRXNPFEDSA-N 0 0 419.506 4.674 50 0 HJAARN CCc1ccc(-c2nc(S[C@@H](C)c3nc(=O)c4c(C)c(C)sc4[nH]3)n[nH]2)cc1 ZINC000005180234 560625044 /nfs/dbraw/zinc/62/50/44/560625044.db2.gz ZYGMTBAEWNTILH-LBPRGKRZSA-N 0 0 411.556 4.802 50 0 HJAARN CC(=O)c1cccc(NC(=O)COC(=O)c2c3ccccc3nc3c2CCCCC3)c1 ZINC000005291389 560625801 /nfs/dbraw/zinc/62/58/01/560625801.db2.gz HBCGQWSUVWPGFI-UHFFFAOYSA-N 0 0 416.477 4.502 50 0 HJAARN COc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc4c(c3)OCCO4)=NN21 ZINC000005603182 560629552 /nfs/dbraw/zinc/62/95/52/560629552.db2.gz DJWBECKUPRJVFP-NBGIEHNGSA-N 0 0 414.461 4.709 50 0 HJAARN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)OCC(=O)C(C)(C)C)cc12 ZINC000006280282 560630457 /nfs/dbraw/zinc/63/04/57/560630457.db2.gz KPUGXNHYBRGRKC-UHFFFAOYSA-N 0 0 404.919 4.880 50 0 HJAARN O=C(NCc1ccnc(Oc2ccccc2)c1)c1cnn(Cc2ccccc2)c1C1CC1 ZINC000062581412 560631967 /nfs/dbraw/zinc/63/19/67/560631967.db2.gz SQXQLJPXTCURDT-UHFFFAOYSA-N 0 0 424.504 4.926 50 0 HJAARN COc1cc(-c2nnc(CSc3ccc4ccccc4n3)o2)cc(OC)c1OC ZINC000005626765 560634530 /nfs/dbraw/zinc/63/45/30/560634530.db2.gz YQZDBJNVUXCLIA-UHFFFAOYSA-N 0 0 409.467 4.603 50 0 HJAARN CC(=O)c1ccc(OCC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)cc1 ZINC000005654381 560637179 /nfs/dbraw/zinc/63/71/79/560637179.db2.gz LSXGWVJGPXROAG-QFIPXVFZSA-N 0 0 402.450 4.547 50 0 HJAARN CC(=O)c1ccc(OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)cc1 ZINC000005654194 560637225 /nfs/dbraw/zinc/63/72/25/560637225.db2.gz DDGZFLWQFFPBOV-GOSISDBHSA-N 0 0 410.520 4.769 50 0 HJAARN CC(C)[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)no1 ZINC000526052477 560639585 /nfs/dbraw/zinc/63/95/85/560639585.db2.gz SKCPJMDYXXUNSH-GOSISDBHSA-N 0 0 420.296 4.936 50 0 HJAARN COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)CCc2ccccc2)c1 ZINC000016043045 560655108 /nfs/dbraw/zinc/65/51/08/560655108.db2.gz DXQNNXQSCIBPDV-ZSQFBXSQSA-N 0 0 423.553 4.531 50 0 biogenic HJAARN Cc1c(NC(=O)c2cc3c(s2)-c2ccccc2CC3)c(=O)n(-c2ccccc2)n1C ZINC000017303060 560707057 /nfs/dbraw/zinc/70/70/57/560707057.db2.gz IMHGYYUHTFMCSE-UHFFFAOYSA-N 0 0 415.518 4.564 50 0 HJAARN CCOCCCNc1nc2c(cnn2-c2ccccc2)c(Nc2cccc(C)c2)n1 ZINC000017306911 560707344 /nfs/dbraw/zinc/70/73/44/560707344.db2.gz KXBKLRIZHIOJLO-UHFFFAOYSA-N 0 0 402.502 4.706 50 0 HJAARN O=C(Nc1ccc(Br)cc1Cl)[C@@]12CCC(=O)N1c1ccccc1S2 ZINC000017579411 560719715 /nfs/dbraw/zinc/71/97/15/560719715.db2.gz ZCMAQJFVYNKHLF-KRWDZBQOSA-N 0 0 423.719 4.670 50 0 HJAARN O=C(Nc1nc2ccc(Cl)cc2s1)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000017577242 560719718 /nfs/dbraw/zinc/71/97/18/560719718.db2.gz LLRNZOAMJQVNIM-GOSISDBHSA-N 0 0 401.900 4.517 50 0 HJAARN COC(=O)c1ccc(NC(=O)c2cc3ccccc3c(Br)c2OC)cc1 ZINC000001070382 560727015 /nfs/dbraw/zinc/72/70/15/560727015.db2.gz ZIUPZGVTGVIVEB-UHFFFAOYSA-N 0 0 414.255 4.650 50 0 HJAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1ccc(Cl)cc1 ZINC000001152792 560727377 /nfs/dbraw/zinc/72/73/77/560727377.db2.gz NREDKLKHUXRMLU-JTQLQIEISA-N 0 0 402.661 4.596 50 0 HJAARN CCOc1cc(/C=C2/N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)c1ccco1 ZINC000002979740 560732604 /nfs/dbraw/zinc/73/26/04/560732604.db2.gz RAICMZIBZYDZDR-QGOAFFKASA-N 0 0 417.417 4.550 50 0 HJAARN Cc1cc(NC(=O)c2cncc(Br)c2)cc(-c2nc3ccccc3o2)c1O ZINC000009486713 560759263 /nfs/dbraw/zinc/75/92/63/560759263.db2.gz FRTCLJNNBRQZBN-UHFFFAOYSA-N 0 0 424.254 4.919 50 0 HJAARN Cc1nc(CSc2ccccc2C(=O)Nc2ccc(Br)cc2F)no1 ZINC000024376568 560759848 /nfs/dbraw/zinc/75/98/48/560759848.db2.gz JKHLFDIFUPQNEF-UHFFFAOYSA-N 0 0 422.279 4.824 50 0 HJAARN CCOCCn1c2ccc(C)cc2s/c1=N\C(=O)c1ccccc1Br ZINC000100873254 560761290 /nfs/dbraw/zinc/76/12/90/560761290.db2.gz WFDLQWWRELGDTN-VZCXRCSSSA-N 0 0 419.344 4.551 50 0 HJAARN O=C(c1ccc(C2SCCS2)cc1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000018017416 560767077 /nfs/dbraw/zinc/76/70/77/560767077.db2.gz SLMHGLISDGNNHO-UHFFFAOYSA-N 0 0 419.015 4.777 50 0 HJAARN Cc1csc(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000010554469 560770392 /nfs/dbraw/zinc/77/03/92/560770392.db2.gz GSTOYKZKIYNJHV-CQSZACIVSA-N 0 0 400.331 4.542 50 0 HJAARN C/C=C/c1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)c(OC)c1 ZINC000011180688 560771630 /nfs/dbraw/zinc/77/16/30/560771630.db2.gz KBEZDMWYHKEPRM-ZZXKWVIFSA-N 0 0 406.438 4.591 50 0 HJAARN C[C@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccc(-n2ccnc2)cc1 ZINC000018047679 560773953 /nfs/dbraw/zinc/77/39/53/560773953.db2.gz FBYDNQJVBLRZDV-HNNXBMFYSA-N 0 0 401.491 4.984 50 0 HJAARN COc1cc(CN(C)C(=O)c2cn3ccc(C)cc3n2)ccc1OCc1ccccc1 ZINC000018134722 560779511 /nfs/dbraw/zinc/77/95/11/560779511.db2.gz IZTPWLCXJLAWAL-UHFFFAOYSA-N 0 0 415.493 4.503 50 0 HJAARN CCOc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1 ZINC000018209642 560784428 /nfs/dbraw/zinc/78/44/28/560784428.db2.gz LZWNHSISNSUVEN-PBHICJAKSA-N 0 0 420.391 4.787 50 0 HJAARN COc1ccc(OC)c(C(=O)CSc2nnc(Nc3ccccc3C)s2)c1 ZINC000005689189 560784567 /nfs/dbraw/zinc/78/45/67/560784567.db2.gz QNKGTRODHRYUDE-UHFFFAOYSA-N 0 0 401.513 4.582 50 0 HJAARN CCc1ccc(C(=O)OCC(=O)c2cc(C)n(CCc3ccc(OC)cc3)c2C)cc1 ZINC000005691945 560786150 /nfs/dbraw/zinc/78/61/50/560786150.db2.gz FIPLSMSGCPGPQW-UHFFFAOYSA-N 0 0 419.521 4.958 50 0 HJAARN COc1ccc(C2=Nc3ncnn3[C@@H](c3ccc(OCc4ccccc4)cc3)C2)cc1 ZINC000101161413 560787256 /nfs/dbraw/zinc/78/72/56/560787256.db2.gz IWTMHMAQSZYIPE-XMMPIXPASA-N 0 0 410.477 4.922 50 0 HJAARN N=c1c2c(ncn1CCCO)Oc1c3ccccc3ccc1[C@@H]2c1ccccc1Cl ZINC000101366826 560792889 /nfs/dbraw/zinc/79/28/89/560792889.db2.gz RSGKKKBXQMVJDT-FQEVSTJZSA-N 0 0 417.896 4.837 50 0 HJAARN Cc1cccc2c(=O)c(-c3ccc4c(c3)OCO4)c(NC(=O)c3ccccc3F)oc12 ZINC000101393916 560794092 /nfs/dbraw/zinc/79/40/92/560794092.db2.gz GFWURBFEACSJFB-UHFFFAOYSA-N 0 0 417.392 4.889 50 0 HJAARN CC(C)C(=O)Nc1nc2n(n1)[C@@H](c1c(F)cccc1Cl)CC(c1ccccc1)=N2 ZINC000101678723 560797865 /nfs/dbraw/zinc/79/78/65/560797865.db2.gz BCIVXIMWKWNJCJ-QGZVFWFLSA-N 0 0 411.868 4.721 50 0 HJAARN Cc1ccc([C@H]2CC(c3ccccc3)=Nc3nc(NC(=O)c4ccccc4)nn32)cc1 ZINC000101835516 560803295 /nfs/dbraw/zinc/80/32/95/560803295.db2.gz UIPBTKANZNBCLB-JOCHJYFZSA-N 0 0 407.477 4.895 50 0 HJAARN Cc1ccc(C2=Nc3nc(NC(=O)CC(C)C)nn3[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000101836460 560803705 /nfs/dbraw/zinc/80/37/05/560803705.db2.gz KVMUPSUHYSQKCW-HXUWFJFHSA-N 0 0 405.477 4.766 50 0 HJAARN CCCC(=O)Nc1nc2n(n1)[C@H](c1c(F)cccc1Cl)CC(c1ccccc1)=N2 ZINC000101837091 560803748 /nfs/dbraw/zinc/80/37/48/560803748.db2.gz DABMCLDTUNJQLK-KRWDZBQOSA-N 0 0 411.868 4.865 50 0 HJAARN COc1cc(Cl)c(C)cc1NC(=O)CN1c2ccccc2N=C2CCC[C@@H]2C1=O ZINC000101946788 560805630 /nfs/dbraw/zinc/80/56/30/560805630.db2.gz HKVFNGRIPLPIDW-AWEZNQCLSA-N 0 0 411.889 4.515 50 0 HJAARN CCc1cccc(NC(=O)CN2c3ccccc3N=C(c3cccs3)CC2=O)c1 ZINC000102300682 560809128 /nfs/dbraw/zinc/80/91/28/560809128.db2.gz UJNFGFIWCNECIN-UHFFFAOYSA-N 0 0 403.507 4.807 50 0 HJAARN CCc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccc(F)cc3)CC2=O)cc1 ZINC000102529710 560813071 /nfs/dbraw/zinc/81/30/71/560813071.db2.gz PKFBWMZWBQVDNO-UHFFFAOYSA-N 0 0 415.468 4.884 50 0 HJAARN O=C(CN1c2ccccc2N=C(c2ccc(Cl)cc2)CC1=O)Nc1cccc(F)c1 ZINC000102530566 560813252 /nfs/dbraw/zinc/81/32/52/560813252.db2.gz UOXYROZCVYSFFA-UHFFFAOYSA-N 0 0 421.859 4.975 50 0 HJAARN Cc1cc(C)c(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]3C2=O)c(C)c1 ZINC000102721987 560821410 /nfs/dbraw/zinc/82/14/10/560821410.db2.gz GRSVHQCKZAIOBQ-OEMFJLHTSA-N 0 0 412.489 4.663 50 0 HJAARN COc1ccc(CCN2CC(=O)C(c3nc(-c4ccccc4)cs3)=C2N)cc1OC ZINC000102727640 560822016 /nfs/dbraw/zinc/82/20/16/560822016.db2.gz CEWFWUMCODZXQU-UHFFFAOYSA-N 0 0 421.522 4.632 50 0 HJAARN COc1ccc(CN2CC(=O)C(c3nc(-c4ccc(OC)cc4)cs3)=C2N)cc1 ZINC000102718813 560823425 /nfs/dbraw/zinc/82/34/25/560823425.db2.gz KPYKLQMSAISKPG-UHFFFAOYSA-N 0 0 407.495 4.589 50 0 HJAARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4N[C@@H]3c3ccc(OC)cc3)C2)cc1 ZINC000102751383 560825608 /nfs/dbraw/zinc/82/56/08/560825608.db2.gz QHGRGAQCABWDTJ-QVKFZJNVSA-N 0 0 418.453 4.716 50 0 HJAARN COc1cccc([C@@H]2Nc3nonc3N=C3C[C@@H](c4ccc(F)cc4)CC(=O)C32)c1 ZINC000102832932 560829782 /nfs/dbraw/zinc/82/97/82/560829782.db2.gz XKLBJSKLYOXXKU-VLIAUNLRSA-N 0 0 406.417 4.846 50 0 HJAARN COC(=O)c1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CCC3)cc1 ZINC000102879758 560833648 /nfs/dbraw/zinc/83/36/48/560833648.db2.gz URZRQAHIZFJKJE-IBGZPJMESA-N 0 0 415.449 4.579 50 0 HJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000102925374 560834359 /nfs/dbraw/zinc/83/43/59/560834359.db2.gz LWGQZJYYCUEDKM-CCDWMCETSA-N 0 0 420.468 4.891 50 0 HJAARN C[C@@H]1CCC[C@H](NC(=O)C2CCN(c3nc4ccccc4n4cccc34)CC2)[C@H]1C ZINC000103722499 560844122 /nfs/dbraw/zinc/84/41/22/560844122.db2.gz GSCFTUHQHDIPFJ-HBFSDRIKSA-N 0 0 404.558 4.645 50 0 HJAARN Cc1cc(C(=O)COC(=O)C=Cc2cccc3cccnc23)c(C)n1CC(F)(F)F ZINC000014812331 560852647 /nfs/dbraw/zinc/85/26/47/560852647.db2.gz WIQTUSNBHHINMA-CMDGGOBGSA-N 0 0 416.399 4.655 50 0 HJAARN O=C(OCc1nc(-c2ccc(OC(F)(F)F)cc2)no1)c1ccc(F)cc1Cl ZINC000051315285 560855831 /nfs/dbraw/zinc/85/58/31/560855831.db2.gz RPIPVAPFSJQVTF-UHFFFAOYSA-N 0 0 416.714 4.785 50 0 HJAARN CC(=O)N(c1nc(/C=C/C(=O)NC[C@H](C)c2ccccc2)cs1)c1ccccc1F ZINC000015744481 560856128 /nfs/dbraw/zinc/85/61/28/560856128.db2.gz ZFLLDZGLYADYPE-DBTPVHCXSA-N 0 0 423.513 4.900 50 0 HJAARN O=C(Nc1ccc(I)cc1F)c1cc(Cl)ccc1Cl ZINC000016384814 560860112 /nfs/dbraw/zinc/86/01/12/560860112.db2.gz WDTCUBXXXNZCJS-UHFFFAOYSA-N 0 0 410.013 4.989 50 0 HJAARN C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000105657175 560876743 /nfs/dbraw/zinc/87/67/43/560876743.db2.gz HZLFPOLILMWHIK-OUJBWJOFSA-N 0 0 420.888 4.577 50 0 HJAARN Cc1c(C(=O)OCc2cccc(Cl)c2)nnn1-c1ccc(Br)c(C)c1 ZINC000046914097 560878980 /nfs/dbraw/zinc/87/89/80/560878980.db2.gz RLMGZWXOUUABHC-UHFFFAOYSA-N 0 0 420.694 4.657 50 0 HJAARN Cc1cc(Br)ccc1SCC(=O)Nc1ccc(-c2nnco2)cc1 ZINC000047298843 560886151 /nfs/dbraw/zinc/88/61/51/560886151.db2.gz VBJYCMNBBYIQSP-UHFFFAOYSA-N 0 0 404.289 4.538 50 0 HJAARN Cc1ccccc1OCCSc1nc2ccccc2n1CC(=O)N1CCCC[C@@H]1C ZINC000012062352 560888332 /nfs/dbraw/zinc/88/83/32/560888332.db2.gz TUVBHNHJIRMSHM-IBGZPJMESA-N 0 0 423.582 4.917 50 0 HJAARN CCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000012111530 560889336 /nfs/dbraw/zinc/88/93/36/560889336.db2.gz GQEKSJBUHAYGCZ-OAHLLOKOSA-N 0 0 409.486 4.839 50 0 HJAARN CSc1ccccc1C(=O)N1CCC2(C[C@H]2C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000012207244 560891891 /nfs/dbraw/zinc/89/18/91/560891891.db2.gz DLWCQUZQPXGLTN-INIZCTEOSA-N 0 0 416.493 4.568 50 0 HJAARN COc1cc(Nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)nc(C)n1 ZINC000012225270 560893952 /nfs/dbraw/zinc/89/39/52/560893952.db2.gz QFDSNECZEJHSBJ-UHFFFAOYSA-N 0 0 402.376 4.808 50 0 HJAARN CCCOc1cc(Nc2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)nc(C)n1 ZINC000012225951 560894208 /nfs/dbraw/zinc/89/42/08/560894208.db2.gz DLTUIWRYGLYKIR-UHFFFAOYSA-N 0 0 407.474 4.970 50 0 HJAARN COC(=O)c1ccc([C@H]2C(c3ccccc3)C(=O)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000045941979 568422293 /nfs/dbraw/zinc/42/22/93/568422293.db2.gz DVCWYMVSLUNKRD-QFIPXVFZSA-N 0 0 417.436 4.665 50 0 HJAARN COC(=O)c1ccc([C@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000045942087 568422372 /nfs/dbraw/zinc/42/23/72/568422372.db2.gz KSBMVJIXGCTXNI-QFIPXVFZSA-N 0 0 417.436 4.978 50 0 HJAARN COc1cc2c(cc1OC)C1=NC(=O)[C@H](C(C)C)N1C(SCc1ccccc1C)=N2 ZINC000005756187 568423334 /nfs/dbraw/zinc/42/33/34/568423334.db2.gz KRYIEDFHWXJXGF-FQEVSTJZSA-N 0 0 423.538 4.560 50 0 HJAARN CCc1cc(OCC(=O)Nc2ccccc2C)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000046016973 568423758 /nfs/dbraw/zinc/42/37/58/568423758.db2.gz DKAPGAUKRFYCQF-UHFFFAOYSA-N 0 0 414.509 4.926 50 0 HJAARN CCCn1c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2sc1=O ZINC000046017503 568423779 /nfs/dbraw/zinc/42/37/79/568423779.db2.gz JJKKWYQYDXVOML-UHFFFAOYSA-N 0 0 404.557 4.571 50 0 HJAARN CC[C@H](C)NC(=O)COc1cc(C)c2c(-c3ccccc3)nn(-c3ccccc3)c2n1 ZINC000046016586 568424405 /nfs/dbraw/zinc/42/44/05/568424405.db2.gz ZQAANMUARKRTNK-SFHVURJKSA-N 0 0 414.509 4.689 50 0 HJAARN C=Cc1ccc(Cn2cc(C(=O)c3ccccc3OC)c(=O)c3ccc(C)nc32)cc1 ZINC000046053792 568425490 /nfs/dbraw/zinc/42/54/90/568425490.db2.gz ZRNKCYREQPZIOP-UHFFFAOYSA-N 0 0 410.473 4.636 50 0 HJAARN Cc1ccc(C(=O)c2cn(Cc3ccc(F)cc3)c3nc(C)ccc3c2=O)c(C)c1 ZINC000046053807 568425594 /nfs/dbraw/zinc/42/55/94/568425594.db2.gz KNGXPMIZEUIZPP-UHFFFAOYSA-N 0 0 400.453 4.740 50 0 HJAARN COc1ccc(-n2nnnc2C2(Nc3ccc(Cl)cc3)CCCCC2)cc1OC ZINC000046077988 568427491 /nfs/dbraw/zinc/42/74/91/568427491.db2.gz PUPCLDWRNWCNBU-UHFFFAOYSA-N 0 0 413.909 4.604 50 0 HJAARN CCCCOc1ccc2oc(C)c(C(=O)NCCc3ccc(OC)c(OC)c3)c2c1 ZINC000046086380 568428097 /nfs/dbraw/zinc/42/80/97/568428097.db2.gz GAXWFAGPCDVEMS-UHFFFAOYSA-N 0 0 411.498 4.910 50 0 HJAARN O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1ccccc1OC[C@@H]1CCCO1 ZINC000048234612 568432569 /nfs/dbraw/zinc/43/25/69/568432569.db2.gz JQAXQXYWJQHUMF-MAUKXSAKSA-N 0 0 403.931 4.865 50 0 HJAARN COc1cc2c(cc1OC)CN(C(=O)Nc1ccc3nc(SC)sc3c1)CC2 ZINC000048250343 568434135 /nfs/dbraw/zinc/43/41/35/568434135.db2.gz MCRCSAZOFAUKCF-UHFFFAOYSA-N 0 0 415.540 4.626 50 0 HJAARN Nc1c(Cl)c(Cl)nc(C(=O)OCc2coc(-c3cccs3)n2)c1Cl ZINC000048252819 568434427 /nfs/dbraw/zinc/43/44/27/568434427.db2.gz ZXQQJWHRUODEFT-UHFFFAOYSA-N 0 0 404.662 4.698 50 0 HJAARN O=C(Oc1ccccc1)N1CCN(c2ncnc3sc(-c4ccccc4)cc32)CC1 ZINC000048287585 568434726 /nfs/dbraw/zinc/43/47/26/568434726.db2.gz ADCQSLCPNPLVHW-UHFFFAOYSA-N 0 0 416.506 4.679 50 0 HJAARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)N(Cc1ccccn1)C(C)C ZINC000048276701 568435568 /nfs/dbraw/zinc/43/55/68/568435568.db2.gz ALZDBAKXBHKLDI-UHFFFAOYSA-N 0 0 405.527 4.626 50 0 HJAARN O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cccc(-n2nccc2-c2ccccc2)c1 ZINC000048304087 568436241 /nfs/dbraw/zinc/43/62/41/568436241.db2.gz DSLIKCMAWOHPFC-UHFFFAOYSA-N 0 0 422.488 4.684 50 0 HJAARN COc1ccc(-c2csc(CCNC(=O)CCc3ccccc3Cl)n2)cc1 ZINC000048302782 568437757 /nfs/dbraw/zinc/43/77/57/568437757.db2.gz ZKVMLWQVIZTICB-UHFFFAOYSA-N 0 0 400.931 4.764 50 0 HJAARN O=C(c1sccc1Br)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000048333600 568439587 /nfs/dbraw/zinc/43/95/87/568439587.db2.gz FLDOGRGVELRWKM-AWEZNQCLSA-N 0 0 408.317 4.649 50 0 HJAARN CN(Cc1ccc(Br)s1)C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000048340017 568440159 /nfs/dbraw/zinc/44/01/59/568440159.db2.gz ZCPQJKSUUPZYCM-UHFFFAOYSA-N 0 0 408.239 4.610 50 0 HJAARN Brc1csc(-c2noc(COc3ccccc3Br)n2)c1 ZINC000048705385 568443401 /nfs/dbraw/zinc/44/34/01/568443401.db2.gz LLMQCHHRQPMERY-UHFFFAOYSA-N 0 0 416.094 4.902 50 0 HJAARN COc1cc(Nc2c(C(=O)N3CCC[C@@H](C)C3)cnc3nc(C)ccc32)cc(OC)c1 ZINC000049005404 568444473 /nfs/dbraw/zinc/44/44/73/568444473.db2.gz RPHXZWDVUSFURS-OAHLLOKOSA-N 0 0 420.513 4.571 50 0 HJAARN COc1ccc(Nc2c(C(=O)N3CCC(C)CC3)cnc3nc(C)ccc32)cc1OC ZINC000049005436 568444576 /nfs/dbraw/zinc/44/45/76/568444576.db2.gz BNHOIILGGTYLBK-UHFFFAOYSA-N 0 0 420.513 4.571 50 0 HJAARN O=C(CSc1cc(NCc2ccc(Cl)cc2)ncn1)Nc1cc(F)ccc1F ZINC000049006723 568444876 /nfs/dbraw/zinc/44/48/76/568444876.db2.gz GOUBCXCZOFPLBT-UHFFFAOYSA-N 0 0 420.872 4.751 50 0 HJAARN Cc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)cc(-c2ccccn2)n1 ZINC000049007146 568444880 /nfs/dbraw/zinc/44/48/80/568444880.db2.gz DLZAMIOCNVBWKY-UHFFFAOYSA-N 0 0 404.417 4.597 50 0 HJAARN COc1cc(Nc2cc(C(=O)N3CCCCC3)nc3c(OC)cccc23)cc(OC)c1 ZINC000049003012 568446267 /nfs/dbraw/zinc/44/62/67/568446267.db2.gz RFWFEWLQYRHPKQ-UHFFFAOYSA-N 0 0 421.497 4.630 50 0 HJAARN CC(C)(C)C[C@@H](NC(=O)C1CCN(C(=O)c2ccco2)CC1)c1ccc(F)cc1 ZINC000049387829 568448932 /nfs/dbraw/zinc/44/89/32/568448932.db2.gz VQILGKFOYDBSBP-LJQANCHMSA-N 0 0 400.494 4.565 50 0 HJAARN O=C(c1ccccc1Br)N1CCC(Oc2nc3ccccc3s2)CC1 ZINC000049430862 568450926 /nfs/dbraw/zinc/45/09/26/568450926.db2.gz OFVYREPXCVAXLA-UHFFFAOYSA-N 0 0 417.328 4.742 50 0 HJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2C)C12CCCCC2 ZINC000049546119 568451444 /nfs/dbraw/zinc/45/14/44/568451444.db2.gz HMXGKHPPCRZPQV-JOCHJYFZSA-N 0 0 406.526 4.522 50 0 HJAARN Cn1c(=O)sc2c1N(c1ccccc1)C(=O)C[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000049548592 568451689 /nfs/dbraw/zinc/45/16/89/568451689.db2.gz JRPSOONCAARCPD-OAHLLOKOSA-N 0 0 404.413 4.666 50 0 HJAARN COCc1nn2c(c1-c1ccccc1)NC(=O)C[C@@H]2C(=O)Nc1cccc(SC)c1 ZINC000049549252 568451802 /nfs/dbraw/zinc/45/18/02/568451802.db2.gz KUCPNXWCQSBDNW-GOSISDBHSA-N 0 0 422.510 4.590 50 0 HJAARN CSc1ccc([C@H]2CC(=O)N(c3ccc(F)c(F)c3)c3c2sc(=O)n3C)cc1 ZINC000049550526 568451934 /nfs/dbraw/zinc/45/19/34/568451934.db2.gz CVIJEOGBPNPSAI-CQSZACIVSA-N 0 0 418.490 4.647 50 0 HJAARN FC(F)(F)c1nc2ccccc2c(-n2cc(-c3cnn(Cc4ccccc4)c3)cn2)n1 ZINC000049597260 568452459 /nfs/dbraw/zinc/45/24/59/568452459.db2.gz QIYFZQAWSOIYCP-UHFFFAOYSA-N 0 0 420.398 4.746 50 0 HJAARN Cc1nnc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccco2)o1 ZINC000005858309 568454165 /nfs/dbraw/zinc/45/41/65/568454165.db2.gz VYCOGVCNHBBXCN-UHFFFAOYSA-N 0 0 409.515 4.868 50 0 HJAARN COc1cccc(-c2ccc3c(N)c(C(=O)NCc4ccc(C)cc4)sc3n2)c1 ZINC000000661330 568460108 /nfs/dbraw/zinc/46/01/08/568460108.db2.gz SRHWBYPWNNCQJS-UHFFFAOYSA-N 0 0 403.507 4.793 50 0 HJAARN CCCCCCn1c(SCc2noc(C(C)(C)C)n2)nc2ccccc2c1=O ZINC000024747695 568460913 /nfs/dbraw/zinc/46/09/13/568460913.db2.gz YZPYTPRQSXOVKL-UHFFFAOYSA-N 0 0 400.548 4.950 50 0 HJAARN CCn1c(CNc2ccccc2Cl)nnc1SCC(=O)OC1CCCCC1 ZINC000000676401 568461370 /nfs/dbraw/zinc/46/13/70/568461370.db2.gz APQWWESOSGWSNQ-UHFFFAOYSA-N 0 0 408.955 4.532 50 0 HJAARN CCC[C@@]1(c2ccccc2)NC(=O)N(Cc2coc(-c3ccc(C)cc3C)n2)C1=O ZINC000024764077 568461802 /nfs/dbraw/zinc/46/18/02/568461802.db2.gz HOCLGOTUYXINRB-DEOSSOPVSA-N 0 0 403.482 4.706 50 0 HJAARN CCOc1nc(-c2ccccc2C)n(-c2ccc(NC(=O)Cc3ccccc3)cc2)n1 ZINC000000696927 568462295 /nfs/dbraw/zinc/46/22/95/568462295.db2.gz LIGMZFHDFRZBSA-UHFFFAOYSA-N 0 0 412.493 4.823 50 0 HJAARN O=C(Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)NCc1cccs1 ZINC000006916111 568463593 /nfs/dbraw/zinc/46/35/93/568463593.db2.gz DYTPSTNDFCLXNX-UHFFFAOYSA-N 0 0 419.550 4.982 50 0 HJAARN O=C(Nc1cccc(Br)c1)/C(=C/c1ccco1)NC(=O)c1cccs1 ZINC000000709038 568463930 /nfs/dbraw/zinc/46/39/30/568463930.db2.gz QBBYWHWSPMTEME-PTNGSMBKSA-N 0 0 417.284 4.513 50 0 HJAARN COc1ccc2cc(C(=O)[C@@H]3CCCN(C(=O)c4ccnc(Cl)c4)C3)ccc2c1 ZINC000012315376 568466854 /nfs/dbraw/zinc/46/68/54/568466854.db2.gz DAVBOXCOOAJWFT-LJQANCHMSA-N 0 0 408.885 4.632 50 0 HJAARN COc1ccccc1/C=C(/NC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000000727286 568468125 /nfs/dbraw/zinc/46/81/25/568468125.db2.gz JLBHLDUUJRKHEC-HMMYKYKNSA-N 0 0 406.869 4.758 50 0 HJAARN Cc1ccnc(SCc2nc3cc(NC(=O)c4ccccc4Cl)ccc3n2C)n1 ZINC000012323631 568471547 /nfs/dbraw/zinc/47/15/47/568471547.db2.gz MYISZZQRPRHCMK-UHFFFAOYSA-N 0 0 423.929 4.870 50 0 HJAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000007329472 568479044 /nfs/dbraw/zinc/47/90/44/568479044.db2.gz AVCVUOYBLQUEQX-HKUYNNGSSA-N 0 0 422.554 4.801 50 0 HJAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3nnc(-c4cccnc4)s3)cc12 ZINC000000796318 568482125 /nfs/dbraw/zinc/48/21/25/568482125.db2.gz YADPTHDBAKVNBD-UHFFFAOYSA-N 0 0 418.507 4.561 50 0 HJAARN COc1ccccc1NC(=O)c1c(N)c(C(=O)c2ccc(Cl)cc2)n2ccccc12 ZINC000012342046 568484218 /nfs/dbraw/zinc/48/42/18/568484218.db2.gz CERNOHWLWCXEAQ-UHFFFAOYSA-N 0 0 419.868 4.667 50 0 HJAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000007718946 568484325 /nfs/dbraw/zinc/48/43/25/568484325.db2.gz PDSBTNLSOIXPNS-DEOSSOPVSA-N 0 0 410.473 4.595 50 0 HJAARN Nc1c2ccc(-c3ccncc3)nc2sc1C(=O)NCCc1ccccc1Cl ZINC000000803906 568485790 /nfs/dbraw/zinc/48/57/90/568485790.db2.gz IGMCTDATEQKAFN-UHFFFAOYSA-N 0 0 408.914 4.566 50 0 HJAARN COc1ccc(Br)cc1-c1nc(COC(=O)c2ccoc2C)cs1 ZINC000007850218 568485879 /nfs/dbraw/zinc/48/58/79/568485879.db2.gz MLSYVFCIVMWFEP-UHFFFAOYSA-N 0 0 408.273 4.840 50 0 HJAARN O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1ccccc1Cc1ccccc1 ZINC000007902717 568486359 /nfs/dbraw/zinc/48/63/59/568486359.db2.gz LWJJRCHFKCVLDT-UHFFFAOYSA-N 0 0 404.539 4.812 50 0 HJAARN CC(=O)c1c[nH]c(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)c1 ZINC000007961908 568487094 /nfs/dbraw/zinc/48/70/94/568487094.db2.gz SUIJJMUBAFAAAY-SFHVURJKSA-N 0 0 405.885 4.914 50 0 HJAARN Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 ZINC000012342266 568488622 /nfs/dbraw/zinc/48/86/22/568488622.db2.gz FSJMBAZGHLBOKM-UHFFFAOYSA-N 0 0 423.394 4.965 50 0 HJAARN Fc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1Br ZINC000055543953 568489070 /nfs/dbraw/zinc/48/90/70/568489070.db2.gz OOZQWUSUADAQPV-UHFFFAOYSA-N 0 0 417.244 4.929 50 0 HJAARN CCC(=O)Nc1ccc2nc(SCC(=O)Nc3cccc(C(C)=O)c3)sc2c1 ZINC000000815674 568494333 /nfs/dbraw/zinc/49/43/33/568494333.db2.gz GPIMIKAGMRTNEP-UHFFFAOYSA-N 0 0 413.524 4.578 50 0 HJAARN O=C(CSc1ncccn1)Nc1ncc(Cc2c(Cl)cccc2Cl)s1 ZINC000000818857 568496705 /nfs/dbraw/zinc/49/67/05/568496705.db2.gz KWHWIOVHZSNIBT-UHFFFAOYSA-N 0 0 411.339 4.562 50 0 HJAARN Cc1ccc2c(CC(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)coc2c1C ZINC000008412758 568500307 /nfs/dbraw/zinc/50/03/07/568500307.db2.gz BBOWXYURMVJXIY-UHFFFAOYSA-N 0 0 419.308 4.996 50 0 HJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnn2c1nccc2-c1cccs1 ZINC000031780570 568505328 /nfs/dbraw/zinc/50/53/28/568505328.db2.gz YADILYKXSFKHTR-UHFFFAOYSA-N 0 0 404.373 4.609 50 0 HJAARN Cc1ccc([C@H]2c3cccn3CCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000012361771 568509586 /nfs/dbraw/zinc/50/95/86/568509586.db2.gz RPCSMCHMAVWHPU-FQEVSTJZSA-N 0 0 420.456 4.609 50 0 HJAARN O=S(=O)(c1ccccc1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1Cl ZINC000012361516 568509616 /nfs/dbraw/zinc/50/96/16/568509616.db2.gz MGFGCBGISQWCOP-LJQANCHMSA-N 0 0 407.322 4.589 50 0 HJAARN Cc1nn(-c2nc(CC(=O)Nc3ccccc3F)cs2)c(C)c1CCC(C)C ZINC000033004597 568510719 /nfs/dbraw/zinc/51/07/19/568510719.db2.gz VFHUMEFSZIVUIL-UHFFFAOYSA-N 0 0 400.523 4.855 50 0 HJAARN Cc1ccc(-n2cnnc2SCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1Cl ZINC000024751169 568513381 /nfs/dbraw/zinc/51/33/81/568513381.db2.gz XSXBUBUELCQDKG-ZDUSSCGKSA-N 0 0 421.353 4.852 50 0 HJAARN Cc1ccc(NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c(C)c1 ZINC000000835322 568513457 /nfs/dbraw/zinc/51/34/57/568513457.db2.gz GYTYXJDHVLORRO-UHFFFAOYSA-N 0 0 408.523 4.522 50 0 HJAARN Cc1ccc(C)c(Sc2cc(N3CCC(C(=O)NC4CCCCC4)CC3)ncn2)c1 ZINC000033312050 568513712 /nfs/dbraw/zinc/51/37/12/568513712.db2.gz XTEGCABCNPAPJA-UHFFFAOYSA-N 0 0 424.614 4.910 50 0 HJAARN Cc1sc2nc(SCC(=O)c3ccc(Br)cc3)nc(N)c2c1C ZINC000024834004 568514326 /nfs/dbraw/zinc/51/43/26/568514326.db2.gz SQVVUYUFDOJUHC-UHFFFAOYSA-N 0 0 408.346 4.628 50 0 HJAARN O=C1N(Cc2c(Cl)cccc2Cl)c2ccccc2[C@]1(O)[C@H]1CCCCCC1=O ZINC000012377245 568551020 /nfs/dbraw/zinc/55/10/20/568551020.db2.gz OEHWBUQTATWGLB-AOMKIAJQSA-N 0 0 418.320 4.877 50 0 HJAARN O=C1N(Cc2ccccc2Cl)c2ccccc2[C@]1(O)[C@H]1CCc2ccccc2C1=O ZINC000012377422 568551845 /nfs/dbraw/zinc/55/18/45/568551845.db2.gz ZHTXYUBDBDHKCN-CPJSRVTESA-N 0 0 417.892 4.520 50 0 HJAARN CCOc1cccc2s/c(=N/C(=O)c3ccccc3Br)n(CC)c21 ZINC000012378115 568552612 /nfs/dbraw/zinc/55/26/12/568552612.db2.gz QMMNAOUUTYTTQX-CZIZESTLSA-N 0 0 405.317 4.625 50 0 HJAARN CCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1NCc1ccccc1OC ZINC000020103848 568587984 /nfs/dbraw/zinc/58/79/84/568587984.db2.gz LGHSUFYSMLJHMQ-UHFFFAOYSA-N 0 0 400.862 4.694 50 0 HJAARN COc1cccc(/C=C2/N=C(SC)N(c3ccc(F)c(Cl)c3)C2=O)c1OC ZINC000020152035 568590849 /nfs/dbraw/zinc/59/08/49/568590849.db2.gz QENDYNYDYRBMGP-OQLLNIDSSA-N 0 0 406.866 4.603 50 0 HJAARN O=C(c1cc(-c2ccccc2)on1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 ZINC000390831657 568592411 /nfs/dbraw/zinc/59/24/11/568592411.db2.gz TXMOFKIITHDSHI-UHFFFAOYSA-N 0 0 418.419 4.642 50 0 HJAARN C[C@@H](NC(=O)c1ccccc1F)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020288441 568597545 /nfs/dbraw/zinc/59/75/45/568597545.db2.gz PSTXPRDTIYBNSR-WZONZLPQSA-N 0 0 423.557 4.569 50 0 HJAARN O=C(OCc1cncc(Br)c1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000095350044 568600763 /nfs/dbraw/zinc/60/07/63/568600763.db2.gz WFCLTFQLIGDJDS-KGLIPLIRSA-N 0 0 400.194 4.710 50 0 HJAARN CCN(CCSc1cc(Cl)ccc1Cl)Cc1nc2ccccc2c(=O)[nH]1 ZINC000095351106 568600992 /nfs/dbraw/zinc/60/09/92/568600992.db2.gz ZRCYAFYEMVYXKN-UHFFFAOYSA-N 0 0 408.354 4.844 50 0 HJAARN Cc1onc(-c2ccccc2)c1C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000020366429 568601331 /nfs/dbraw/zinc/60/13/31/568601331.db2.gz KIAGEMCQENPSBI-UHFFFAOYSA-N 0 0 424.810 4.559 50 0 HJAARN CCSc1nc2n(n1)[C@@H](c1ccccc1)C(C(=O)Nc1ccc(CC)cc1)=C(C)N2 ZINC000080324677 568601667 /nfs/dbraw/zinc/60/16/67/568601667.db2.gz CLBQQPSAFRMYSP-FQEVSTJZSA-N 0 0 419.554 4.880 50 0 HJAARN Cn1nnc2c1nc(Cc1ccc(Cl)cc1Cl)nc2NCC1CCCCC1 ZINC000020444104 568608140 /nfs/dbraw/zinc/60/81/40/568608140.db2.gz XBCMJEIUWWBUDU-UHFFFAOYSA-N 0 0 405.333 4.648 50 0 HJAARN CCCC[C@@](O)(c1ccc(F)cc1)[C@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020447095 568608564 /nfs/dbraw/zinc/60/85/64/568608564.db2.gz BTGJJKUUMGGZNO-DHIUTWEWSA-N 0 0 405.941 4.973 50 0 HJAARN COc1ccc2cc(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4C)C3)ccc2c1 ZINC000020452601 568608997 /nfs/dbraw/zinc/60/89/97/568608997.db2.gz CTARYXNUPHYYTI-NRFANRHFSA-N 0 0 413.521 4.830 50 0 HJAARN C=C1C(N[C@@H](C)C23CC4CC(CC(C4)C2)C3)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020465725 568610203 /nfs/dbraw/zinc/61/02/03/568610203.db2.gz OXULIWMRZZAYMV-QZGUCNERSA-N 0 0 412.599 4.971 50 0 HJAARN Cn1nc(C(=O)N2CCC(Cc3ccccc3)CC2)c2c1-c1ccccc1SC2 ZINC000020484958 568612883 /nfs/dbraw/zinc/61/28/83/568612883.db2.gz DIMJGWHOUKNIDM-UHFFFAOYSA-N 0 0 403.551 4.788 50 0 HJAARN Cc1cn2cc(C(=O)O[C@@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)sc2n1 ZINC000095455616 568616966 /nfs/dbraw/zinc/61/69/66/568616966.db2.gz MDCHEKFHSRPJSV-HXUWFJFHSA-N 0 0 419.506 4.858 50 0 HJAARN Cc1ccc(NC(=O)CS[C@H](C)C(=O)N[C@](C)(c2ccccc2)C(F)(F)F)cc1 ZINC000095457264 568618317 /nfs/dbraw/zinc/61/83/17/568618317.db2.gz RSDJUUSLMFAHSC-FOIQADDNSA-N 0 0 424.488 4.649 50 0 HJAARN O=c1ccnc2sc(N[C@@H]3CCCCC[C@@H]3c3ccccc3C(F)(F)F)nn21 ZINC000095458756 568619192 /nfs/dbraw/zinc/61/91/92/568619192.db2.gz YNNMUVBPPDIKSY-UKRRQHHQSA-N 0 0 408.449 4.698 50 0 HJAARN C[C@H](NC(=O)c1cccc(NC(=O)c2cccnc2)c1)c1cccc(C(F)(F)F)c1 ZINC000040086781 568619608 /nfs/dbraw/zinc/61/96/08/568619608.db2.gz IHIKNHAICQMQFV-AWEZNQCLSA-N 0 0 413.399 4.844 50 0 HJAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(-n2ncc3ccccc32)cc1 ZINC000095463153 568621753 /nfs/dbraw/zinc/62/17/53/568621753.db2.gz CGQHCCSOVGURIS-VWLOTQADSA-N 0 0 422.488 4.928 50 0 HJAARN O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000020532630 568628342 /nfs/dbraw/zinc/62/83/42/568628342.db2.gz SPCBSSJNVBRVOD-UHFFFAOYSA-N 0 0 410.417 4.746 50 0 HJAARN O=C1CS[C@H](c2cccc(O)c2)c2c(ncn2-c2cccc(Br)c2)N1 ZINC000095478266 568631460 /nfs/dbraw/zinc/63/14/60/568631460.db2.gz RAGFMQPHXQBDPT-QGZVFWFLSA-N 0 0 416.300 4.765 50 0 HJAARN CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)c2cccnc2O3)cc1 ZINC000095478512 568631684 /nfs/dbraw/zinc/63/16/84/568631684.db2.gz MVYWNCMSZWLYLT-UHFFFAOYSA-N 0 0 403.438 4.503 50 0 HJAARN O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)NCCCc1nc2ccccc2[nH]1 ZINC000095479481 568632396 /nfs/dbraw/zinc/63/23/96/568632396.db2.gz AMRONPZZVUIMDI-LJQANCHMSA-N 0 0 420.944 4.941 50 0 HJAARN Cc1cc(O[C@@H](C)C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc(C)c1Cl ZINC000095482272 568634218 /nfs/dbraw/zinc/63/42/18/568634218.db2.gz VKANGTXJAUAJJZ-ZDUSSCGKSA-N 0 0 420.296 4.744 50 0 HJAARN O=C(CSCc1ccc(Cl)cc1Cl)NCc1nc(-c2ccccc2)no1 ZINC000095482469 568634446 /nfs/dbraw/zinc/63/44/46/568634446.db2.gz AEPOWVOZLMVUQY-UHFFFAOYSA-N 0 0 408.310 4.593 50 0 HJAARN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)COc1ccccc1C(C)(C)C ZINC000095482483 568634502 /nfs/dbraw/zinc/63/45/02/568634502.db2.gz HGTUEFVKSRNODO-UHFFFAOYSA-N 0 0 413.905 4.725 50 0 HJAARN C[S@](=O)Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)ccc1Cl ZINC000225408437 568634877 /nfs/dbraw/zinc/63/48/77/568634877.db2.gz DGISDWAOSGVDAQ-YGCGCYASSA-N 0 0 400.302 4.753 50 0 HJAARN Cc1ccc(CNC(=O)C2CCC(CNc3[nH]c(=S)nc4ccccc43)CC2)o1 ZINC000020646090 568639346 /nfs/dbraw/zinc/63/93/46/568639346.db2.gz CCXWIIPJSNPXLA-UHFFFAOYSA-N 0 0 410.543 4.729 50 0 HJAARN Cc1cc(Cl)ccc1NC(=S)N(CCCN1CCOCC1)Cc1cccs1 ZINC000020678453 568639907 /nfs/dbraw/zinc/63/99/07/568639907.db2.gz FQIWAURKIPJKEI-UHFFFAOYSA-N 0 0 424.035 4.631 50 0 HJAARN O=C(c1ccco1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cnc2ccccc2n1 ZINC000225504856 568644239 /nfs/dbraw/zinc/64/42/39/568644239.db2.gz SQCZRJHQFYTOOH-HXUWFJFHSA-N 0 0 402.841 4.868 50 0 HJAARN O=C1C[C@@H](c2ccco2)Cc2[nH]c(=O)c(-c3nc(-c4ccc(F)cc4)cs3)cc21 ZINC000020850824 568644940 /nfs/dbraw/zinc/64/49/40/568644940.db2.gz KXSYYADJUIHARJ-ZDUSSCGKSA-N 0 0 406.438 4.810 50 0 HJAARN O=C(c1ccccc1F)N1N=C(c2cccs2)C[C@@H]1c1cnc2ccccc2n1 ZINC000225510553 568645061 /nfs/dbraw/zinc/64/50/61/568645061.db2.gz YOENBPIYQPNQGN-HXUWFJFHSA-N 0 0 402.454 4.822 50 0 HJAARN COc1ccc(-c2noc([C@@H](C)NC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1OC ZINC000020888856 568647402 /nfs/dbraw/zinc/64/74/02/568647402.db2.gz ANPHBXSFQYDPFG-CQSZACIVSA-N 0 0 409.486 4.542 50 0 HJAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1ccc(C)cc1)SCC(=O)N2 ZINC000020891080 568647777 /nfs/dbraw/zinc/64/77/77/568647777.db2.gz SCFATSQOEMBDHD-IBGZPJMESA-N 0 0 406.536 4.874 50 0 HJAARN Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(F)cc1F)SCC(=O)N2 ZINC000020891993 568647880 /nfs/dbraw/zinc/64/78/80/568647880.db2.gz VOTFXCAPJSNOTF-SFHVURJKSA-N 0 0 405.857 4.887 50 0 HJAARN COc1cccc(-n2cc(C(=O)N3CC[C@H](c4ccccc4)C3)c3ccccc3c2=O)c1 ZINC000020904527 568650557 /nfs/dbraw/zinc/65/05/57/568650557.db2.gz PXXDBKCIZVGKIC-FQEVSTJZSA-N 0 0 424.500 4.629 50 0 HJAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@@H]3CCOc4ccccc43)cc12 ZINC000007964722 568650814 /nfs/dbraw/zinc/65/08/14/568650814.db2.gz VWJMUBGQMAGHCB-GOSISDBHSA-N 0 0 407.470 4.788 50 0 HJAARN Cc1cc(C)c2c(n1)SCC(=O)N2Cc1ccc(C(=O)Nc2cccc(F)c2)cc1 ZINC000020934706 568652126 /nfs/dbraw/zinc/65/21/26/568652126.db2.gz LUKNCPCCNFGWKT-UHFFFAOYSA-N 0 0 421.497 4.729 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(C)cc2)cc1 ZINC000020943350 568653161 /nfs/dbraw/zinc/65/31/61/568653161.db2.gz FYLWSSUESDTXCQ-UHFFFAOYSA-N 0 0 413.481 4.556 50 0 HJAARN CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1C[C@@H](C)Sc2ccccc21 ZINC000020984761 568655089 /nfs/dbraw/zinc/65/50/89/568655089.db2.gz PJLMQZARXYDHER-OAHLLOKOSA-N 0 0 414.552 4.902 50 0 HJAARN Cc1cc(-c2ccc(C(C)C)c(S(=O)(=O)N3C[C@H](C)Oc4ccccc43)c2)on1 ZINC000020984799 568655112 /nfs/dbraw/zinc/65/51/12/568655112.db2.gz CPORETXQFYMYJO-INIZCTEOSA-N 0 0 412.511 4.750 50 0 HJAARN COc1ccc(OC)c(CN[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2F)c1 ZINC000020988712 568655630 /nfs/dbraw/zinc/65/56/30/568655630.db2.gz GVGXUQQOHXIXEO-JOCHJYFZSA-N 0 0 419.456 4.772 50 0 HJAARN CCc1cc2c(cc1S(=O)(=O)Nc1cccc(Cl)c1)[nH]c1c2C(=O)CCC1 ZINC000020990434 568655720 /nfs/dbraw/zinc/65/57/20/568655720.db2.gz ZFJKMECRMHWOMI-UHFFFAOYSA-N 0 0 402.903 4.704 50 0 HJAARN Cc1cc2c(cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1)[nH]c1c2C(=O)CCC1 ZINC000020990127 568655772 /nfs/dbraw/zinc/65/57/72/568655772.db2.gz IHJGNFGUTJHXFG-UHFFFAOYSA-N 0 0 422.428 4.815 50 0 HJAARN CCOc1ccc(CCNC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)cc1OCC ZINC000020995732 568656636 /nfs/dbraw/zinc/65/66/36/568656636.db2.gz YWWWWWAKFONRLY-UHFFFAOYSA-N 0 0 413.905 4.500 50 0 HJAARN COc1ccccc1[C@H](CNC(=O)c1oc2c(ccc3ccccc23)c1C)N(C)C ZINC000007966231 568660539 /nfs/dbraw/zinc/66/05/39/568660539.db2.gz XEJGRBBGHGUZDB-NRFANRHFSA-N 0 0 402.494 4.936 50 0 HJAARN O=C1CN(C(=S)NCc2ccccc2)[C@@H](c2ccc(Cl)cc2)c2ccccc2N1 ZINC000095945173 568663237 /nfs/dbraw/zinc/66/32/37/568663237.db2.gz FVTGZLCIYLZJSC-QFIPXVFZSA-N 0 0 421.953 4.758 50 0 HJAARN CC(=O)Oc1ccc2ccccc2c1C1=NN(C(C)=O)[C@H](c2ccc(Cl)cc2)O1 ZINC000021092331 568664271 /nfs/dbraw/zinc/66/42/71/568664271.db2.gz DKGCRWGESYITAV-QFIPXVFZSA-N 0 0 408.841 4.658 50 0 HJAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1CNC(=O)Nc1ccccc1Cl ZINC000021100709 568666596 /nfs/dbraw/zinc/66/65/96/568666596.db2.gz RDAJARNZLLMMTR-UHFFFAOYSA-N 0 0 405.889 4.947 50 0 HJAARN Cc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000021108007 568667396 /nfs/dbraw/zinc/66/73/96/568667396.db2.gz NVGCXOQLNFLYRI-LJQANCHMSA-N 0 0 405.326 4.857 50 0 HJAARN Cc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000021108012 568667804 /nfs/dbraw/zinc/66/78/04/568667804.db2.gz NVGCXOQLNFLYRI-IBGZPJMESA-N 0 0 405.326 4.857 50 0 HJAARN Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(Br)c(C)c3)cc2)co1 ZINC000021111314 568668394 /nfs/dbraw/zinc/66/83/94/568668394.db2.gz VSHUJJWEUNHKDH-UHFFFAOYSA-N 0 0 407.289 4.522 50 0 HJAARN O=S1(=O)N=C(SCc2ccc(F)cc2)N(Cc2ccccc2)c2ccccc21 ZINC000021117584 568669343 /nfs/dbraw/zinc/66/93/43/568669343.db2.gz GAJATERGIJCDSU-UHFFFAOYSA-N 0 0 412.511 4.824 50 0 HJAARN CCOc1ccc(-c2noc(CSc3nnc(C)n3-c3ccc(CC)cc3)n2)cc1 ZINC000021169005 568676064 /nfs/dbraw/zinc/67/60/64/568676064.db2.gz PKNDJNSOTVVDCR-UHFFFAOYSA-N 0 0 421.526 4.879 50 0 HJAARN O=C(C[C@H]1CCOc2ccccc21)N(c1nccs1)[C@H]1CCCc2cccnc21 ZINC000095997596 568679410 /nfs/dbraw/zinc/67/94/10/568679410.db2.gz IHDIIHDSCCGJCR-MJGOQNOKSA-N 0 0 405.523 4.905 50 0 HJAARN CC[C@H](C)N(CCc1nc(-c2cccc(OC)c2)no1)C(=O)/C=C/c1ccccc1 ZINC000096096149 568688827 /nfs/dbraw/zinc/68/88/27/568688827.db2.gz OFLKFKRBDWXNBA-JKGDOXCYSA-N 0 0 405.498 4.628 50 0 HJAARN CC[C@@H](C)[C@H](NC(=O)/C=C/c1ccccc1)c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000096096133 568688953 /nfs/dbraw/zinc/68/89/53/568688953.db2.gz JLSYBWGADIFURL-GSVIYLSTSA-N 0 0 421.497 4.671 50 0 HJAARN COc1ccc2cc(C(=O)Nc3ccc4c(c3)N(C(=O)c3cccs3)CC4)[nH]c2c1 ZINC000096098410 568689609 /nfs/dbraw/zinc/68/96/09/568689609.db2.gz RQHHYKBURAWVAW-UHFFFAOYSA-N 0 0 417.490 4.693 50 0 HJAARN O=C(Cc1c(F)cccc1Cl)Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2 ZINC000096098411 568689721 /nfs/dbraw/zinc/68/97/21/568689721.db2.gz YQQPLIGWUKPQEL-UHFFFAOYSA-N 0 0 414.889 4.925 50 0 HJAARN Cc1ccc2[nH]c(C(=O)NCc3cccnc3)c(NC(=O)c3ccc(Cl)cc3)c2c1 ZINC000021361626 568690266 /nfs/dbraw/zinc/69/02/66/568690266.db2.gz MTMYGMQWXHRNHE-UHFFFAOYSA-N 0 0 418.884 4.707 50 0 HJAARN O=C(NCCn1ccc(-c2cccs2)n1)NC(c1ccccc1)c1ccccc1 ZINC000096103889 568692124 /nfs/dbraw/zinc/69/21/24/568692124.db2.gz QGKMLJHPAATNFC-UHFFFAOYSA-N 0 0 402.523 4.700 50 0 HJAARN COC1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000096104504 568692344 /nfs/dbraw/zinc/69/23/44/568692344.db2.gz SMAZXHALRHQEKC-UHFFFAOYSA-N 0 0 409.313 4.626 50 0 HJAARN O=C(CSc1ccc(F)cc1)Nc1ccccc1Cc1nc(-c2ccncc2)no1 ZINC000096119644 568698882 /nfs/dbraw/zinc/69/88/82/568698882.db2.gz PCELYSDVDIXKBG-UHFFFAOYSA-N 0 0 420.469 4.592 50 0 HJAARN CC(C)C[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000226986080 568698926 /nfs/dbraw/zinc/69/89/26/568698926.db2.gz FNBXZQRPOLLYGF-CEXWTWQISA-N 0 0 419.308 4.718 50 0 HJAARN O=C(NCc1ccc(C(=O)c2ccsc2)s1)c1ccc(OC(F)(F)F)cc1 ZINC000096119840 568699105 /nfs/dbraw/zinc/69/91/05/568699105.db2.gz XPBVMXWFWKQFBS-UHFFFAOYSA-N 0 0 411.426 4.869 50 0 HJAARN COc1ccc(C2(CNC(=O)CCc3ccc(C(F)(F)F)cc3)CCOCC2)cc1 ZINC000096120229 568699328 /nfs/dbraw/zinc/69/93/28/568699328.db2.gz NQOVPWHDTHKHCQ-UHFFFAOYSA-N 0 0 421.459 4.511 50 0 HJAARN Cc1ccc(-c2nnc([C@@H](C)N3CCN(Cc4ccc(Cl)s4)CC3)o2)cc1 ZINC000096124636 568701064 /nfs/dbraw/zinc/70/10/64/568701064.db2.gz XNQAZCDMWGLRTK-OAHLLOKOSA-N 0 0 402.951 4.639 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H](Nc1cccc(CO)c1)c1ccccc1 ZINC000021473280 568703357 /nfs/dbraw/zinc/70/33/57/568703357.db2.gz BRGBUNZNSFRJTF-HXUWFJFHSA-N 0 0 400.400 4.990 50 0 HJAARN O=C(CSC1=N[C@H]2Nc3ccccc3[C@@H]2N=N1)c1ccc(Br)cc1 ZINC000096191569 568703631 /nfs/dbraw/zinc/70/36/31/568703631.db2.gz IAFNBRWCIVSKTH-JKSUJKDBSA-N 0 0 401.289 4.680 50 0 HJAARN CC(C)c1nn(-c2ccc(Cl)c(Cl)c2)c(C(C)C)c1C(=O)N1CCN(C)CC1 ZINC000096207169 568704336 /nfs/dbraw/zinc/70/43/36/568704336.db2.gz XJGPKTKLNAWOLO-UHFFFAOYSA-N 0 0 423.388 4.814 50 0 HJAARN COc1ccc2c(ccn2CCC(=O)N[C@H]2CCCc3c4cc(OC)ccc4[nH]c32)c1 ZINC000096221380 568705135 /nfs/dbraw/zinc/70/51/35/568705135.db2.gz BFRLXWXWQDKSCX-QFIPXVFZSA-N 0 0 417.509 4.724 50 0 biogenic HJAARN CCOc1ccccc1NC(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000021522274 568708643 /nfs/dbraw/zinc/70/86/43/568708643.db2.gz LMWXEBTYNNWDLG-UHFFFAOYSA-N 0 0 402.498 4.825 50 0 biogenic HJAARN CCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2)cc1OC ZINC000021523840 568708931 /nfs/dbraw/zinc/70/89/31/568708931.db2.gz ORMJKTYEGNRQSI-JOCHJYFZSA-N 0 0 423.538 4.671 50 0 HJAARN CCOc1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3)no2)cc1 ZINC000021524600 568709266 /nfs/dbraw/zinc/70/92/66/568709266.db2.gz SYAIEPPGAMQMTK-UHFFFAOYSA-N 0 0 415.449 4.820 50 0 HJAARN Cc1ccccc1N1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021526501 568709434 /nfs/dbraw/zinc/70/94/34/568709434.db2.gz WTILIOBMJSGAJQ-RUZDIDTESA-N 0 0 419.525 4.801 50 0 HJAARN CSc1cccc(NC(=O)CCCn2nc(-n3cccc3)c3c2nc(C)cc3C)c1 ZINC000021540018 568713457 /nfs/dbraw/zinc/71/34/57/568713457.db2.gz BFUAXSIHDSQUSM-UHFFFAOYSA-N 0 0 419.554 4.980 50 0 HJAARN CCn1c(C(=O)NC[C@@]2(C)CCCO2)cc2cc(NC(=O)c3ccc(C)cc3)ccc21 ZINC000096275290 568714251 /nfs/dbraw/zinc/71/42/51/568714251.db2.gz QUZIJZNWKZYFKK-RUZDIDTESA-N 0 0 419.525 4.521 50 0 HJAARN O=C(c1cccs1)N(CCc1nc(-c2ccccc2)no1)CCc1ccccc1 ZINC000096276128 568715155 /nfs/dbraw/zinc/71/51/55/568715155.db2.gz FNQSXNGQQYRYJE-UHFFFAOYSA-N 0 0 403.507 4.726 50 0 HJAARN COCCNC(=O)C[C@H](c1cn(Cc2ccc(OC)cc2)c2ccccc12)C(C)(C)C ZINC000096277491 568716095 /nfs/dbraw/zinc/71/60/95/568716095.db2.gz UWQRGMAMENZSNY-HSZRJFAPSA-N 0 0 422.569 4.981 50 0 HJAARN COc1ccc2[nH]cc([C@@H](CC(=O)NCCc3ccccn3)c3ccccc3F)c2c1 ZINC000096278579 568716698 /nfs/dbraw/zinc/71/66/98/568716698.db2.gz PJEDEJXXYQTTHY-FQEVSTJZSA-N 0 0 417.484 4.592 50 0 HJAARN CC[C@H](C)N(Cc1c(-c2ccccc2)nn(C)c1N(C)C)C(=O)c1ccc(OC)cc1 ZINC000096279535 568717491 /nfs/dbraw/zinc/71/74/91/568717491.db2.gz JVXXMYVSPRJERJ-SFHVURJKSA-N 0 0 420.557 4.603 50 0 HJAARN COc1ccccc1COc1cccc(-c2noc(-c3ccc4c(c3)OCO4)n2)c1 ZINC000096281030 568718474 /nfs/dbraw/zinc/71/84/74/568718474.db2.gz IFFUXTXFWKQGLI-UHFFFAOYSA-N 0 0 402.406 4.720 50 0 HJAARN COc1cccc(-c2noc(CCN(CCc3ccccc3)C(=O)C3CCCC3)n2)c1 ZINC000096294226 568722203 /nfs/dbraw/zinc/72/22/03/568722203.db2.gz VHNGYIAMVAFCLB-UHFFFAOYSA-N 0 0 419.525 4.549 50 0 HJAARN O=C(C=Cc1ccc(Cl)c(C(F)(F)F)c1)Nc1nc2c(s1)C(=O)CCC2 ZINC000096298178 568722799 /nfs/dbraw/zinc/72/27/99/568722799.db2.gz OTCNCXJRFUSGGS-ALCCZGGFSA-N 0 0 400.809 4.986 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)CCCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000012440889 568723827 /nfs/dbraw/zinc/72/38/27/568723827.db2.gz IMCAXJBQPVKESY-UHFFFAOYSA-N 0 0 416.308 4.944 50 0 HJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1cccc(Cl)c1 ZINC000000867237 568724031 /nfs/dbraw/zinc/72/40/31/568724031.db2.gz HQVXRGWXINWIMU-UHFFFAOYSA-N 0 0 421.909 4.770 50 0 HJAARN O=C(Cc1csc(SCC(=O)c2ccccc2)n1)Nc1ccc(Cl)cc1 ZINC000012444150 568725292 /nfs/dbraw/zinc/72/52/92/568725292.db2.gz YHMSWBNTYJUUAS-UHFFFAOYSA-N 0 0 402.928 4.953 50 0 HJAARN Cc1ccccc1-c1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)o1 ZINC000000869049 568725359 /nfs/dbraw/zinc/72/53/59/568725359.db2.gz DFAZKVZGJXVDHT-UHFFFAOYSA-N 0 0 408.508 4.899 50 0 HJAARN COc1ccc(NC(=O)NCc2nc(-c3cccc(Cl)c3)oc2C)cc1OC ZINC000021635443 568725406 /nfs/dbraw/zinc/72/54/06/568725406.db2.gz VYGBZDOJLNSUIO-UHFFFAOYSA-N 0 0 401.850 4.642 50 0 HJAARN CCc1nc(C(C)C)nc(N2CCN(C(=O)CC(C)C)CC2)c1Cc1cccc(C)c1 ZINC000096316834 568726093 /nfs/dbraw/zinc/72/60/93/568726093.db2.gz ZSHBNHRHYVPAKN-UHFFFAOYSA-N 0 0 422.617 4.756 50 0 HJAARN COc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000000870110 568726432 /nfs/dbraw/zinc/72/64/32/568726432.db2.gz ZULRTUYHJROXKS-DEOSSOPVSA-N 0 0 418.518 4.722 50 0 HJAARN Cc1cccc(Cc2c(C)nc(C(C)C)nc2N2CCN(C(=O)CC(C)C)CC2)c1 ZINC000096317257 568726461 /nfs/dbraw/zinc/72/64/61/568726461.db2.gz GBUSAEMJXCHFOM-UHFFFAOYSA-N 0 0 408.590 4.502 50 0 HJAARN CC[C@@H](C)c1nc(C)c(Cc2cccc(C)c2)c(N2CCN(C(=O)CC(C)C)CC2)n1 ZINC000096317472 568726861 /nfs/dbraw/zinc/72/68/61/568726861.db2.gz WAWFIQKQSLYKDH-HXUWFJFHSA-N 0 0 422.617 4.892 50 0 HJAARN C=C(C)C(=O)OCCOC(=O)/C(C#N)=C/c1ccc(-c2cccc3ccccc32)o1 ZINC000003158715 568727211 /nfs/dbraw/zinc/72/72/11/568727211.db2.gz NCVSROIKNRSLOP-NBVRZTHBSA-N 0 0 401.418 4.669 50 0 HJAARN COc1cccc(CC(=O)Nc2cc(-c3ccccc3)nn2-c2cccc(F)c2)c1 ZINC000096318414 568727258 /nfs/dbraw/zinc/72/72/58/568727258.db2.gz BIOQXPOXSAECNT-UHFFFAOYSA-N 0 0 401.441 4.868 50 0 HJAARN COc1ccc(-c2cc(C(=O)N(Cc3c(C)nn(C)c3C)c3ccccc3)no2)cc1 ZINC000238900537 568727362 /nfs/dbraw/zinc/72/73/62/568727362.db2.gz JHJGSOITCBASFB-UHFFFAOYSA-N 0 0 416.481 4.548 50 0 HJAARN CC(C)(C)OC(=O)NC1(CCNC(=O)c2sccc2-c2ccc(F)cc2)CC1 ZINC000239762068 568729660 /nfs/dbraw/zinc/72/96/60/568729660.db2.gz CKQLLHBISOVGGB-UHFFFAOYSA-N 0 0 404.507 4.731 50 0 HJAARN Cc1cccc(CS(=O)(=O)Cc2ccc(-c3nc(-c4ccc(F)cc4)no3)o2)c1 ZINC000096322763 568730952 /nfs/dbraw/zinc/73/09/52/568730952.db2.gz FHFJOPFOISLASN-UHFFFAOYSA-N 0 0 412.442 4.559 50 0 HJAARN Cc1cccc(-c2noc(-c3ccc(CS(=O)(=O)Cc4ccccc4F)o3)n2)c1 ZINC000096322768 568731049 /nfs/dbraw/zinc/73/10/49/568731049.db2.gz SMNAQYYFPHOFCK-UHFFFAOYSA-N 0 0 412.442 4.559 50 0 HJAARN O=S(=O)(c1cccc(Cl)c1)N1N=C(c2ccco2)C[C@@H]1c1ccc(Cl)cc1 ZINC000241588193 568731528 /nfs/dbraw/zinc/73/15/28/568731528.db2.gz PAPMZUDWFVNECW-GOSISDBHSA-N 0 0 421.305 5.126 50 0 HJAARN O=C(Nc1ccc(OCc2cn3ccccc3n2)cc1)[C@H]1CCCc2c(O)cccc21 ZINC000242038594 568732047 /nfs/dbraw/zinc/73/20/47/568732047.db2.gz VMJOZGXZRUYBPD-QFIPXVFZSA-N 0 0 413.477 4.678 50 0 HJAARN COc1ccc(CNC(=O)Cn2cccc2-c2nc(-c3ccccc3)cs2)cc1 ZINC000021656531 568732450 /nfs/dbraw/zinc/73/24/50/568732450.db2.gz RRKNBJNPJVOMKW-UHFFFAOYSA-N 0 0 403.507 4.604 50 0 HJAARN Cc1ccc(-c2nc3sc4c(n3n2)CCN(C(=O)Nc2cc(C)cc(C)c2)C4)cc1 ZINC000096323846 568732907 /nfs/dbraw/zinc/73/29/07/568732907.db2.gz XPWOFOIUSRSRIU-UHFFFAOYSA-N 0 0 417.538 4.973 50 0 HJAARN CC[C@H](Sc1nnc2c3ccccc3[nH]c2n1)C(=O)Nc1nc2ccccc2s1 ZINC000000877518 568733737 /nfs/dbraw/zinc/73/37/37/568733737.db2.gz NDWVHUDCODYLFC-AWEZNQCLSA-N 0 0 420.523 4.625 50 0 HJAARN Cc1cc(C)c(NC(=O)CSc2nnc(CNc3c(C)cccc3C)n2C)c(C)c1 ZINC000000878178 568734733 /nfs/dbraw/zinc/73/47/33/568734733.db2.gz IDDVRQHTNDKRCQ-UHFFFAOYSA-N 0 0 423.586 4.700 50 0 HJAARN COc1ccc(CNC(=O)c2ccc(Cl)cc2NC(=O)c2ccc(F)cc2)cc1 ZINC000007969511 568734837 /nfs/dbraw/zinc/73/48/37/568734837.db2.gz IQMKLNKLBUCNQW-UHFFFAOYSA-N 0 0 412.848 4.670 50 0 HJAARN COc1ccc(-c2ccnc3cc(C(=O)Nc4cccc(Cl)c4C)nn32)cc1OC ZINC000021660173 568735480 /nfs/dbraw/zinc/73/54/80/568735480.db2.gz FANSODDKIYIPMS-UHFFFAOYSA-N 0 0 422.872 4.628 50 0 HJAARN COc1ccc(OC[C@H](O)Cn2c3ccccc3nc2Cc2ccccc2Cl)cc1 ZINC000021659920 568735484 /nfs/dbraw/zinc/73/54/84/568735484.db2.gz JPSJHQVDIYGGEX-GOSISDBHSA-N 0 0 422.912 4.729 50 0 HJAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(F)cc4)nc3n2)cc1 ZINC000021660518 568735638 /nfs/dbraw/zinc/73/56/38/568735638.db2.gz IZPUDDJWEAHNRU-UHFFFAOYSA-N 0 0 415.350 4.510 50 0 HJAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@H](c1cc(F)ccc1F)CC(=O)N2 ZINC000021661013 568735738 /nfs/dbraw/zinc/73/57/38/568735738.db2.gz VTQNVZAADUIBFO-AWEZNQCLSA-N 0 0 410.449 4.851 50 0 HJAARN CC(C)n1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c2ccccc21 ZINC000015008609 568736107 /nfs/dbraw/zinc/73/61/07/568736107.db2.gz HURXVRAICJQOSU-NDENLUEZSA-N 0 0 419.506 4.897 50 0 HJAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@@H](c1c(F)cccc1F)CC(=O)N2 ZINC000021661294 568736137 /nfs/dbraw/zinc/73/61/37/568736137.db2.gz FUKQFOCWUULKCT-LBPRGKRZSA-N 0 0 410.449 4.851 50 0 HJAARN CCCc1nc2cc(CCC(=O)NCc3cccc(Br)c3)ccc2[nH]1 ZINC000096332883 568736453 /nfs/dbraw/zinc/73/64/53/568736453.db2.gz NIQSDGMJQCRSHX-UHFFFAOYSA-N 0 0 400.320 4.527 50 0 HJAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccccc2)C12CCCC2 ZINC000096344415 568737267 /nfs/dbraw/zinc/73/72/67/568737267.db2.gz JBSAHLLBOITWJW-QHCPKHFHSA-N 0 0 404.554 4.554 50 0 HJAARN CN(CCc1noc(-c2cc3ccccc3[nH]2)n1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000096349383 568738032 /nfs/dbraw/zinc/73/80/32/568738032.db2.gz ZOEAGHSHWWWGFP-UHFFFAOYSA-N 0 0 414.387 4.551 50 0 HJAARN COc1ccc(S(=O)(=O)Nc2ccc3nc(SCC(C)C)sc3c2)cc1 ZINC000096363680 568739428 /nfs/dbraw/zinc/73/94/28/568739428.db2.gz UDBWYCNTWXSATR-UHFFFAOYSA-N 0 0 408.570 4.854 50 0 HJAARN CC(C)Sc1nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2s1 ZINC000096363677 568739448 /nfs/dbraw/zinc/73/94/48/568739448.db2.gz PVWWSTRAISHSBU-UHFFFAOYSA-N 0 0 400.497 4.876 50 0 HJAARN CCN(C(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)C1CCC1)CC3)c1ccc(F)cc1 ZINC000096363745 568739553 /nfs/dbraw/zinc/73/95/53/568739553.db2.gz XRXFCEXRDCUPRX-UHFFFAOYSA-N 0 0 419.500 4.659 50 0 HJAARN O=c1c2ccccc2nc(SC[C@H]2CC2(Cl)Cl)n1-c1ccc(F)cc1F ZINC000018763225 568739806 /nfs/dbraw/zinc/73/98/06/568739806.db2.gz UJMOBWSSZXSFMX-SNVBAGLBSA-N 0 0 413.276 4.950 50 0 HJAARN CCc1nn2c(nc(CNc3cc(Cl)ccc3Oc3ccccc3)cc2=O)s1 ZINC000021698763 568741272 /nfs/dbraw/zinc/74/12/72/568741272.db2.gz MBANYCZKLKWAJB-UHFFFAOYSA-N 0 0 412.902 4.771 50 0 HJAARN Cc1ccc(S(=O)(=O)Nc2ccccc2CNc2cccc3cccnc32)cc1 ZINC000000892353 568741489 /nfs/dbraw/zinc/74/14/89/568741489.db2.gz OXLMPMSWQHMNTJ-UHFFFAOYSA-N 0 0 403.507 4.956 50 0 HJAARN O=C(Nc1cccnc1N1CCSCC1)c1ccc(C2SCCCS2)cc1 ZINC000051988936 568742381 /nfs/dbraw/zinc/74/23/81/568742381.db2.gz NSCRSICSGIXOKN-UHFFFAOYSA-N 0 0 417.625 4.756 50 0 HJAARN Cc1ccc(Cn2cc(-c3ccncc3)cc2C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000096386196 568742637 /nfs/dbraw/zinc/74/26/37/568742637.db2.gz ITCPLRAPJWBMMO-UHFFFAOYSA-N 0 0 411.461 4.888 50 0 HJAARN CSc1ccc(CNC(=O)Cc2c3[nH]cccc-3c(=O)n2-c2cccc(C)c2)cc1 ZINC000096387078 568743928 /nfs/dbraw/zinc/74/39/28/568743928.db2.gz CVKJEADMFZNUDR-OAQYLSRUSA-N 0 0 417.534 4.520 50 0 HJAARN CSc1ccc(CNC(=O)Cc2c3[nH]cccc-3c(=O)n2-c2cccc(C)c2)cc1 ZINC000096387079 568743947 /nfs/dbraw/zinc/74/39/47/568743947.db2.gz CVKJEADMFZNUDR-NRFANRHFSA-N 0 0 417.534 4.520 50 0 HJAARN COc1ccc(C)cc1NC(=O)c1c(C)oc2ccn(Cc3ccc(F)cc3)c(=O)c21 ZINC000096396461 568744909 /nfs/dbraw/zinc/74/49/09/568744909.db2.gz SZLJKPUPYIGFSQ-UHFFFAOYSA-N 0 0 420.440 4.660 50 0 HJAARN Cc1oc2ccn(Cc3ccccc3F)c(=O)c2c1C(=O)N[C@H](C)c1ccccc1 ZINC000096396543 568745022 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O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCc1ccc(Br)cc1 ZINC000003350086 568885286 /nfs/dbraw/zinc/88/52/86/568885286.db2.gz WUVFQBOKHJGBFF-UHFFFAOYSA-N 0 0 424.294 4.589 50 0 aggregator HJAARN CN(Cc1cccs1)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000003352910 568885956 /nfs/dbraw/zinc/88/59/56/568885956.db2.gz XOTKDFRSRRQPGD-UHFFFAOYSA-N 0 0 420.563 4.747 50 0 HJAARN COc1ccc(NC(=O)[C@@H](c2ccccc2)N(CCO)Cc2ccccc2)cc1Cl ZINC000003354085 568886256 /nfs/dbraw/zinc/88/62/56/568886256.db2.gz DDFYAVYBHVYDFS-HSZRJFAPSA-N 0 0 424.928 4.523 50 0 HJAARN Cc1c(=O)c2cccc(C(=O)N(C)CCOc3ccccc3)c2oc1-c1ccccc1 ZINC000003358365 568887148 /nfs/dbraw/zinc/88/71/48/568887148.db2.gz WCRQGROLKYFFRA-UHFFFAOYSA-N 0 0 413.473 4.919 50 0 HJAARN CCN(c1ccc(NC(=O)COC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1)C(C)C ZINC000003378357 568891800 /nfs/dbraw/zinc/89/18/00/568891800.db2.gz OQIANLXEROAZJN-MRXNPFEDSA-N 0 0 414.571 4.903 50 0 HJAARN Cc1cc(C)cc(NC(=O)[C@H](OC(=O)c2ccc3c(c2)OCCO3)c2ccccc2)c1 ZINC000003379094 568891945 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CCOC(=O)c1ccc2c(c1)nc(SCc1cn3cc(Cl)ccc3n1)n2CC ZINC000012655033 568906678 /nfs/dbraw/zinc/90/66/78/568906678.db2.gz CBNDRKGVXNRPOL-UHFFFAOYSA-N 0 0 414.918 4.826 50 0 HJAARN Cc1cccc(Nc2nnc(SCC(=O)N3CCc4ccccc4C3)s2)c1C ZINC000003463398 568907135 /nfs/dbraw/zinc/90/71/35/568907135.db2.gz NJJCCAXDXOKREC-UHFFFAOYSA-N 0 0 410.568 4.576 50 0 HJAARN CC(C)c1ccccc1-n1c(SCC(=O)NC2CCCC2)nc2ccccc2c1=O ZINC000003482707 568908540 /nfs/dbraw/zinc/90/85/40/568908540.db2.gz IGDNCHYMSAFCKH-UHFFFAOYSA-N 0 0 421.566 4.660 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(SC)ccc1Cl ZINC000003488589 568909013 /nfs/dbraw/zinc/90/90/13/568909013.db2.gz BDFQERQUHMHOCR-UHFFFAOYSA-N 0 0 400.283 4.519 50 0 HJAARN Cc1cccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(Cl)cc2Cl)c1C ZINC000001254546 568909042 /nfs/dbraw/zinc/90/90/42/568909042.db2.gz JTAFQTRSVZOHBP-GOSISDBHSA-N 0 0 404.297 4.877 50 0 HJAARN C[C@H](Sc1nnc(NCc2ccccc2)s1)C(=O)Nc1cccc(Cl)c1 ZINC000003490803 568909106 /nfs/dbraw/zinc/90/91/06/568909106.db2.gz RUPFRHPOKNOLHW-LBPRGKRZSA-N 0 0 404.948 4.923 50 0 HJAARN CC(C)N(Cc1ccccc1)C(=O)CSc1nnc(NCc2ccccc2)s1 ZINC000003490835 568909335 /nfs/dbraw/zinc/90/93/35/568909335.db2.gz FIDDMIWIESREOW-UHFFFAOYSA-N 0 0 412.584 4.680 50 0 HJAARN CC(C)C(=O)Nc1ccc(CNC(=O)N[C@@H](C)c2cccc(Br)c2)cc1 ZINC000031043649 568910523 /nfs/dbraw/zinc/91/05/23/568910523.db2.gz QQJUXGOCPKGWGD-AWEZNQCLSA-N 0 0 418.335 4.604 50 0 HJAARN COc1ccccc1-c1noc(-c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)n1 ZINC000263616795 568911032 /nfs/dbraw/zinc/91/10/32/568911032.db2.gz KOJVSYRLMLUJRB-LJQANCHMSA-N 0 0 408.845 4.534 50 0 HJAARN C[C@H](NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000003513569 568911341 /nfs/dbraw/zinc/91/13/41/568911341.db2.gz HUWHFHYJGKDICJ-INIZCTEOSA-N 0 0 421.880 4.605 50 0 HJAARN CCOc1cc(C(=O)NC(=S)Nc2ccc(Cl)cc2)cc(OCC)c1OCC ZINC000000724616 568914182 /nfs/dbraw/zinc/91/41/82/568914182.db2.gz CBZJEBMPSKOMAZ-UHFFFAOYSA-N 0 0 422.934 4.663 50 0 HJAARN CC(C)c1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000001320572 568914394 /nfs/dbraw/zinc/91/43/94/568914394.db2.gz NXYBXJPVTUKPIP-SANMLTNESA-N 0 0 417.480 4.957 50 0 HJAARN CC[C@H](C)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000003553602 568915207 /nfs/dbraw/zinc/91/52/07/568915207.db2.gz XHGIGZPJTMQVNI-KRWDZBQOSA-N 0 0 400.544 4.627 50 0 HJAARN COc1ccc2nc(C)c(C(=O)N(Cc3ccc4c(c3)OCO4)C3CCCC3)cc2c1 ZINC000025804902 568916102 /nfs/dbraw/zinc/91/61/02/568916102.db2.gz VTVBZKVKRZYEDU-UHFFFAOYSA-N 0 0 418.493 4.866 50 0 HJAARN Cc1ccc(S(=O)(=O)/N=[S@](\Cc2ccccc2)C[C@H]2CC2(Cl)Cl)cc1 ZINC000004145223 568916400 /nfs/dbraw/zinc/91/64/00/568916400.db2.gz OEPLPUOLWFEHMC-GYCJOSAFSA-N 0 0 416.395 4.880 50 0 HJAARN CCn1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)ccc1=O ZINC000058406494 568916650 /nfs/dbraw/zinc/91/66/50/568916650.db2.gz TVFPRFVOWTXKDD-UHFFFAOYSA-N 0 0 403.869 4.989 50 0 HJAARN Cc1ccc([C@H](C)CC[NH+]2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)o1 ZINC000012701475 568917438 /nfs/dbraw/zinc/91/74/38/568917438.db2.gz CNXZVMATBICWJT-LJQANCHMSA-N 0 0 410.558 4.861 50 0 HJAARN CN(C)c1c(Cl)cccc1NC(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000083852384 568919706 /nfs/dbraw/zinc/91/97/06/568919706.db2.gz QGXSIBBJUGTZER-UHFFFAOYSA-N 0 0 401.875 4.511 50 0 HJAARN COC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@@H](C(=O)OC)[C@@H]1c1cccc(F)c1 ZINC000003623422 568920821 /nfs/dbraw/zinc/92/08/21/568920821.db2.gz VEFGGYRPBQHPPA-RTWAWAEBSA-N 0 0 409.457 4.506 50 0 HJAARN Cc1nn(Cc2cccc(C(=O)NC3CCCCCC3)c2)c(C)c1Br ZINC000003638843 568921548 /nfs/dbraw/zinc/92/15/48/568921548.db2.gz VLYFVNUOYPSQRA-UHFFFAOYSA-N 0 0 404.352 4.763 50 0 HJAARN COc1ccc2c(c1)CCc1sc(NC(=O)c3cccc(Br)c3)nc1-2 ZINC000003651718 568922756 /nfs/dbraw/zinc/92/27/56/568922756.db2.gz YFPVYUCWWQCDOR-UHFFFAOYSA-N 0 0 415.312 4.932 50 0 aggregator HJAARN CCOc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C(=O)CC(C)(C)C4)cc1 ZINC000003656751 568923012 /nfs/dbraw/zinc/92/30/12/568923012.db2.gz GQTBDTROUQYPOZ-UHFFFAOYSA-N 0 0 413.495 4.787 50 0 HJAARN Cc1ccccc1C(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccc(F)cc1 ZINC000003660400 568923565 /nfs/dbraw/zinc/92/35/65/568923565.db2.gz HCFXXTFODHIRDX-QFIPXVFZSA-N 0 0 408.860 4.971 50 0 HJAARN Cc1cccc(-c2nc(CCNC(=O)c3cccc(Br)c3)cs2)c1 ZINC000004570809 568924140 /nfs/dbraw/zinc/92/41/40/568924140.db2.gz IIBKJWUWBRDICY-UHFFFAOYSA-N 0 0 401.329 4.854 50 0 HJAARN C[C@H](NC(=O)CCCNC(=O)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000031383130 568925159 /nfs/dbraw/zinc/92/51/59/568925159.db2.gz WGYZYBXZXHZSMI-FQEVSTJZSA-N 0 0 400.522 4.533 50 0 HJAARN CCOC(=O)c1cnc(SC)nc1Oc1cccc(NC(=O)c2ccc(C)cc2)c1 ZINC000001394762 568925181 /nfs/dbraw/zinc/92/51/81/568925181.db2.gz PQXUXTRUEFFEMJ-UHFFFAOYSA-N 0 0 423.494 4.728 50 0 aggregator HJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccn(Cc2c(F)cccc2Cl)c1=O ZINC000001396459 568926342 /nfs/dbraw/zinc/92/63/42/568926342.db2.gz TUAHJEYUHQIDJC-UHFFFAOYSA-N 0 0 424.781 4.960 50 0 HJAARN CC(C)(CNS(=O)(=O)c1ccc2ccccc2c1)SCc1ccc(F)cc1 ZINC000001401978 568927379 /nfs/dbraw/zinc/92/73/79/568927379.db2.gz SYPNPLYPNFIVND-UHFFFAOYSA-N 0 0 403.544 4.969 50 0 HJAARN O=C(Nc1ccnc(-c2cccnc2)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001403178 568927647 /nfs/dbraw/zinc/92/76/47/568927647.db2.gz QFKCSDULBJZIEW-UHFFFAOYSA-N 0 0 412.293 4.829 50 0 HJAARN O=c1c2ccccc2nc2n1[C@H](CSc1ccc(Br)cc1)CS2 ZINC000001405453 568927941 /nfs/dbraw/zinc/92/79/41/568927941.db2.gz QUCWJPYUVGUGTO-GFCCVEGCSA-N 0 0 405.342 4.598 50 0 HJAARN O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000012740530 568928799 /nfs/dbraw/zinc/92/87/99/568928799.db2.gz OXLIRTAAKAZCLE-UHFFFAOYSA-N 0 0 405.416 4.572 50 0 HJAARN CCN(CC)c1ccc(-c2nnc(S[C@@H](C)c3nc(C(C)C)no3)n2C)cc1 ZINC000031750101 568930114 /nfs/dbraw/zinc/93/01/14/568930114.db2.gz BVEDOGPGPFTSNQ-AWEZNQCLSA-N 0 0 400.552 4.688 50 0 HJAARN Cc1oc(-c2cccs2)nc1CC(=O)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC000084053168 568933653 /nfs/dbraw/zinc/93/36/53/568933653.db2.gz FDGWEMJYUMELFN-UHFFFAOYSA-N 0 0 416.930 4.730 50 0 HJAARN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@H]1COc2ccccc21 ZINC000084062622 568934605 /nfs/dbraw/zinc/93/46/05/568934605.db2.gz QERSXDDTJOOACA-INIZCTEOSA-N 0 0 400.887 4.547 50 0 HJAARN COc1ccc(OC)c(CCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c1 ZINC000025904000 568935217 /nfs/dbraw/zinc/93/52/17/568935217.db2.gz BPCXXSAHCRNRTJ-DEOSSOPVSA-N 0 0 407.535 4.872 50 0 HJAARN CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)c1ccccc1OC ZINC000004064365 568937375 /nfs/dbraw/zinc/93/73/75/568937375.db2.gz MSNAJPITWAXSRH-OPHFCASCSA-N 0 0 409.526 4.602 50 0 biogenic HJAARN COc1ccc([C@@H]2OC(=O)N(CCC3=CCCCC3)[C@@]2(O)c2ccc(OC)cc2)cc1 ZINC000001422799 568938450 /nfs/dbraw/zinc/93/84/50/568938450.db2.gz VSSWJASGGVCXDE-UKILVPOCSA-N 0 0 423.509 4.933 50 0 HJAARN COc1ccc([C@H]2OC(=O)N(Cc3ccc(C)cc3)[C@@]2(O)c2ccc(OC)cc2)cc1 ZINC000001422852 568938475 /nfs/dbraw/zinc/93/84/75/568938475.db2.gz UKQWUEJMMMZSJK-ILBGXUMGSA-N 0 0 419.477 4.551 50 0 HJAARN Cc1ccc(-c2nc(C(=O)Nc3ccc(Cn4ccccc4=O)cc3)cs2)c(C)c1 ZINC000084142215 568940109 /nfs/dbraw/zinc/94/01/09/568940109.db2.gz PBKBAGCSYRJCCC-UHFFFAOYSA-N 0 0 415.518 4.889 50 0 HJAARN CC(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000015501189 568940749 /nfs/dbraw/zinc/94/07/49/568940749.db2.gz YIJJTVVLDBSMEA-UHFFFAOYSA-N 0 0 401.315 4.779 50 0 HJAARN CC(C)N1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4)cc3)c2C(N)=O)C1 ZINC000004087056 568940869 /nfs/dbraw/zinc/94/08/69/568940869.db2.gz AXUITNITBRLWNP-UHFFFAOYSA-N 0 0 419.550 4.533 50 0 HJAARN COc1ccc(/C=C/C(=O)Nc2c3c(nn2-c2ccccc2C)CSC3)cc1OC ZINC000004087591 568941046 /nfs/dbraw/zinc/94/10/46/568941046.db2.gz OBEKXPVBRKIMQB-PKNBQFBNSA-N 0 0 421.522 4.597 50 0 HJAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC[C@H](C)c1ccccc1)OC(C)(C)CC3 ZINC000004089468 568941641 /nfs/dbraw/zinc/94/16/41/568941641.db2.gz YLSWBRWAYNLSML-INIZCTEOSA-N 0 0 419.521 4.667 50 0 biogenic HJAARN O=C1Nc2ccccc2[C@@]12Oc1ccccc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000004112586 568944109 /nfs/dbraw/zinc/94/41/09/568944109.db2.gz QBOVYOUGOKOQIY-NFBKMPQASA-N 0 0 401.853 4.689 50 0 HJAARN Cc1ccccc1-c1noc(CNc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)n1 ZINC000084247698 568944827 /nfs/dbraw/zinc/94/48/27/568944827.db2.gz KFDOJCHLWWCUQV-SFHVURJKSA-N 0 0 404.514 4.980 50 0 HJAARN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)[C@@H]1Cc2ccccc2S1 ZINC000012765526 568948091 /nfs/dbraw/zinc/94/80/91/568948091.db2.gz YYPTZDUKQOIVIT-FQEVSTJZSA-N 0 0 404.539 4.635 50 0 HJAARN NC(=O)c1cc2cc(Br)ccc2o/c1=N\c1cccc(C(F)(F)F)c1 ZINC000004177687 568948976 /nfs/dbraw/zinc/94/89/76/568948976.db2.gz AQZLVGBFJQPSFE-KQWNVCNZSA-N 0 0 411.177 4.545 50 0 HJAARN C[C@H]1CCc2sc(NC(=O)c3ccc(Cc4ccccc4)cc3)c(C(N)=O)c2C1 ZINC000004177477 568949049 /nfs/dbraw/zinc/94/90/49/568949049.db2.gz UDJDNZHKKFEVEG-HNNXBMFYSA-N 0 0 404.535 4.815 50 0 HJAARN COC(=O)c1ccc(CSc2nnc(-c3ccco3)n2-c2cccc(Cl)c2)o1 ZINC000004187050 568950052 /nfs/dbraw/zinc/95/00/52/568950052.db2.gz RLOJFCXATCQHFG-UHFFFAOYSA-N 0 0 415.858 4.853 50 0 HJAARN CCOC(=O)/C=C(\C)N1N=C2c3ccc(OC)cc3CC[C@@H]2[C@@H]1c1cccc(F)c1 ZINC000004205930 568951731 /nfs/dbraw/zinc/95/17/31/568951731.db2.gz XKNITNZFPVZCAL-WGPCWMBMSA-N 0 0 408.473 4.625 50 0 HJAARN O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)[C@@H]1COc2ccccc2O1 ZINC000004224287 568952411 /nfs/dbraw/zinc/95/24/11/568952411.db2.gz GUMFMBKWCBBOHQ-INIZCTEOSA-N 0 0 407.278 4.895 50 0 HJAARN C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000084637069 568953960 /nfs/dbraw/zinc/95/39/60/568953960.db2.gz GXAWVBNAJRJYGA-IFXJQAMLSA-N 0 0 400.931 4.634 50 0 HJAARN COc1ccc(Cn2ccnc2SCC(=O)Nc2cccc3ccccc32)cc1 ZINC000004248786 568953916 /nfs/dbraw/zinc/95/39/16/568953916.db2.gz WZCXIJURFKVYKC-UHFFFAOYSA-N 0 0 403.507 4.824 50 0 HJAARN O=C(CSc1nccn1Cc1ccc2c(c1)OCO2)Nc1cccc2ccccc21 ZINC000004248829 568953924 /nfs/dbraw/zinc/95/39/24/568953924.db2.gz OQIPIDINPUQERB-UHFFFAOYSA-N 0 0 417.490 4.544 50 0 HJAARN Cc1ccc2nc(-c3ccc(NC(=O)c4cccc(S(C)(=O)=O)c4)cc3)sc2c1 ZINC000015603551 568954064 /nfs/dbraw/zinc/95/40/64/568954064.db2.gz NENWVTSNXIPQQN-UHFFFAOYSA-N 0 0 422.531 4.928 50 0 HJAARN CC1CCC(N(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)C2CC2)CC1 ZINC000084689292 568955702 /nfs/dbraw/zinc/95/57/02/568955702.db2.gz YHTMVTWYWKXROF-KGXSXCIVSA-N 0 0 402.966 4.762 50 0 HJAARN NC(=O)Nc1cccc(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)c1 ZINC000012777241 568955738 /nfs/dbraw/zinc/95/57/38/568955738.db2.gz DBZQLYQOFVFIRS-UHFFFAOYSA-N 0 0 411.408 4.622 50 0 HJAARN CC(C)C[C@H](NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccc1 ZINC000012777889 568955863 /nfs/dbraw/zinc/95/58/63/568955863.db2.gz JTLYRMDRJNJRJV-SFHVURJKSA-N 0 0 423.582 4.700 50 0 HJAARN COc1cc(OC)cc(C(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1 ZINC000012777957 568956025 /nfs/dbraw/zinc/95/60/25/568956025.db2.gz FMBOZWDXYNVFBM-QGZVFWFLSA-N 0 0 418.493 4.789 50 0 HJAARN COc1ccc2nc(N(Cc3cccnc3)C(=O)CCc3ccccc3)sc2c1 ZINC000004273171 568957639 /nfs/dbraw/zinc/95/76/39/568957639.db2.gz VWHDBUKJGONIOB-UHFFFAOYSA-N 0 0 403.507 4.866 50 0 HJAARN COc1cc(C)c(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)cc1OC ZINC000012784030 568958953 /nfs/dbraw/zinc/95/89/53/568958953.db2.gz HMOCQGQQKISHNL-UHFFFAOYSA-N 0 0 403.438 4.710 50 0 HJAARN COc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1ccc(OC)c(OC)c1)O2 ZINC000004291749 568959805 /nfs/dbraw/zinc/95/98/05/568959805.db2.gz AMXVGDZWMXQINT-BWKNWUBXSA-N 0 0 416.477 4.955 50 0 HJAARN CCOc1ccc(-c2nc(C)c(C(=O)NCc3ccn(C4CCCC4)n3)s2)cc1 ZINC000084809402 568960509 /nfs/dbraw/zinc/96/05/09/568960509.db2.gz OMKPXGNICQZJFR-UHFFFAOYSA-N 0 0 410.543 4.759 50 0 HJAARN O=C(N1CCS[C@@H](c2ccc3c(c2)OCO3)CC1)C1(c2cccs2)CCCC1 ZINC000219212398 568961529 /nfs/dbraw/zinc/96/15/29/568961529.db2.gz OGHKARDNEJYYLZ-LJQANCHMSA-N 0 0 415.580 4.995 50 0 HJAARN O=C(CNc1ccccc1C(=O)NCc1ccccc1)Nc1ccc2ccccc2c1 ZINC000007977881 568963252 /nfs/dbraw/zinc/96/32/52/568963252.db2.gz QBRWKWIOJRHLPD-UHFFFAOYSA-N 0 0 409.489 4.820 50 0 HJAARN O=C(Nc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1)c1cccs1 ZINC000007988674 568965944 /nfs/dbraw/zinc/96/59/44/568965944.db2.gz NUUKACIXMKEHGB-UHFFFAOYSA-N 0 0 406.492 4.771 50 0 HJAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1C ZINC000007989053 568966073 /nfs/dbraw/zinc/96/60/73/568966073.db2.gz IERJYZQDLBNTQK-UHFFFAOYSA-N 0 0 415.342 4.585 50 0 HJAARN CCOc1ccc(CCNC(=O)c2nc(-c3ccc(C)cc3)n3c2CCCCC3)cc1 ZINC000015677719 568966137 /nfs/dbraw/zinc/96/61/37/568966137.db2.gz ADTGOSIOJAOPRP-UHFFFAOYSA-N 0 0 417.553 4.956 50 0 HJAARN O=C(c1c(F)cccc1Cl)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000007989454 568966497 /nfs/dbraw/zinc/96/64/97/568966497.db2.gz YIMFKQKCCCOBJB-UHFFFAOYSA-N 0 0 406.244 4.987 50 0 HJAARN CCOC(=O)c1c(NC(C)=O)c2c(C)c(C)sc2n1Cc1cccc(OC)c1 ZINC000015680337 568967212 /nfs/dbraw/zinc/96/72/12/568967212.db2.gz PQSAEYSAEDEKJX-UHFFFAOYSA-N 0 0 400.500 4.512 50 0 HJAARN O=C(CCOc1ccccc1)OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 ZINC000008008838 568968076 /nfs/dbraw/zinc/96/80/76/568968076.db2.gz ROESMRNYZMASPS-XMMPIXPASA-N 0 0 408.425 4.946 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)c1c(N2CCCC2=O)c2cc(C)ccc2n1C ZINC000015681833 568968334 /nfs/dbraw/zinc/96/83/34/568968334.db2.gz YEPSFBVEXLEXIM-UHFFFAOYSA-N 0 0 411.889 4.528 50 0 HJAARN O=C(CCc1nc(-c2ccccc2)no1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000008022790 568968891 /nfs/dbraw/zinc/96/88/91/568968891.db2.gz PIJYIEKXJZENFT-UHFFFAOYSA-N 0 0 418.522 4.685 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)Cc1ccc(Cl)cc1Cl ZINC000008064638 568971211 /nfs/dbraw/zinc/97/12/11/568971211.db2.gz GONNHRWWFAEZMW-UHFFFAOYSA-N 0 0 417.340 4.866 50 0 HJAARN O=C(CCc1nc2ccccc2s1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000008075985 568972582 /nfs/dbraw/zinc/97/25/82/568972582.db2.gz MLAYIZKCKITPOY-UHFFFAOYSA-N 0 0 417.538 4.853 50 0 HJAARN COc1cc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc(Cl)c1OC ZINC000008086209 568973211 /nfs/dbraw/zinc/97/32/11/568973211.db2.gz SIWYUMYHHKHJKI-UHFFFAOYSA-N 0 0 416.930 4.987 50 0 HJAARN COc1ccc(/C=C/C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1OC ZINC000008086338 568973256 /nfs/dbraw/zinc/97/32/56/568973256.db2.gz NFDHULLTSQSCBN-CSKARUKUSA-N 0 0 408.523 4.733 50 0 HJAARN O=C(COc1ccc(NC(=O)c2ccccc2)cc1)N[C@H]1CCCc2ccccc21 ZINC000008121103 568974545 /nfs/dbraw/zinc/97/45/45/568974545.db2.gz 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ZINC000008174462 568979909 /nfs/dbraw/zinc/97/99/09/568979909.db2.gz WYXPIHXVBOEBDR-ZDUSSCGKSA-N 0 0 405.445 4.754 50 0 HJAARN COCCc1ccc(-c2csc(NC(=O)c3cnc4c(cnn4C(C)C)c3)n2)cc1 ZINC000012807775 568980203 /nfs/dbraw/zinc/98/02/03/568980203.db2.gz NCIITVRZRVEAEZ-UHFFFAOYSA-N 0 0 421.526 4.577 50 0 HJAARN Cc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)c(C)c1 ZINC000006046507 568981281 /nfs/dbraw/zinc/98/12/81/568981281.db2.gz GDNPBIHWFVLXNL-SFHVURJKSA-N 0 0 403.404 4.589 50 0 HJAARN O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000008193098 568981711 /nfs/dbraw/zinc/98/17/11/568981711.db2.gz HHMQHUXMTGNACB-AZUAARDMSA-N 0 0 410.583 4.904 50 0 HJAARN CCCCN1C(=O)CC[C@H](C(=O)NC2CCCCCC2)[C@@H]1c1ccccc1OC ZINC000008193306 568981878 /nfs/dbraw/zinc/98/18/78/568981878.db2.gz HEXWYJBOAWORJF-REWPJTCUSA-N 0 0 400.563 4.614 50 0 HJAARN CCOc1cc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)ccc1OC(C)=O ZINC000001444726 568982187 /nfs/dbraw/zinc/98/21/87/568982187.db2.gz 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0 0 409.511 4.711 50 0 HJAARN COc1ccc(/C=C/C(=O)Nc2nc(C)c(-c3nc(-c4cccs4)no3)s2)cc1 ZINC000035673188 569048588 /nfs/dbraw/zinc/04/85/88/569048588.db2.gz KDYNBJRFEUJAJB-JXMROGBWSA-N 0 0 424.507 4.891 50 0 HJAARN O=C1N[C@@H](N2CCCC2)C(F)=CN1c1nc(-c2ccccc2)oc1-c1ccccc1 ZINC000035681921 569049012 /nfs/dbraw/zinc/04/90/12/569049012.db2.gz NQSHCISRCCHTPL-FQEVSTJZSA-N 0 0 404.445 4.771 50 0 HJAARN Cc1csc(SCc2ccccc2C(=O)Nc2cccc(C(=O)NC3CC3)c2)n1 ZINC000013007267 569049758 /nfs/dbraw/zinc/04/97/58/569049758.db2.gz MZTPIVRQIROXSF-UHFFFAOYSA-N 0 0 423.563 4.888 50 0 HJAARN CCOc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN(C(=O)C(C)C)C3)cc2)cc1 ZINC000013007157 569049775 /nfs/dbraw/zinc/04/97/75/569049775.db2.gz JEEGHYPEPJGZOT-GOSISDBHSA-N 0 0 410.514 4.711 50 0 HJAARN Cc1c(-c2ccc(F)cc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000035685007 569050095 /nfs/dbraw/zinc/05/00/95/569050095.db2.gz UWJUDWIGWYDSOA-HNNXBMFYSA-N 0 0 418.350 4.586 50 0 HJAARN C[C@@H](Sc1ccc2c(c1)OCCCO2)C(=O)Nc1ccc(Br)cc1 ZINC000006436815 569050555 /nfs/dbraw/zinc/05/05/55/569050555.db2.gz AGGHXTVUXQMVKR-GFCCVEGCSA-N 0 0 408.317 4.730 50 0 HJAARN O=S1(=O)N(Cc2cccc(F)c2F)c2ccccc2N1Cc1cccc(F)c1F ZINC000013021004 569051144 /nfs/dbraw/zinc/05/11/44/569051144.db2.gz FBWAYZGRJCAAHN-UHFFFAOYSA-N 0 0 422.403 4.515 50 0 HJAARN CCCCOC(=O)[C@@H](C)Oc1ccc2c(c1)occ(Oc1ccc(OC)cc1)c2=O ZINC000001770115 569052348 /nfs/dbraw/zinc/05/23/48/569052348.db2.gz COCYJEGPBPZQEY-OAHLLOKOSA-N 0 0 412.438 4.705 50 0 biogenic HJAARN COc1ccc2c(c1)c(C(=O)OCC(=O)Nc1c(C)cccc1C)c(C)n2C1CC1 ZINC000053908753 569052362 /nfs/dbraw/zinc/05/23/62/569052362.db2.gz BYYNWELOZDMVKF-UHFFFAOYSA-N 0 0 406.482 4.706 50 0 HJAARN CC(C)(C)c1ccc(OCCCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 ZINC000001773505 569052473 /nfs/dbraw/zinc/05/24/73/569052473.db2.gz DWXYLXIFBMSWSQ-UHFFFAOYSA-N 0 0 414.571 4.821 50 0 HJAARN Cc1ccccc1C(=O)N(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)C(C)C ZINC000006451462 569053407 /nfs/dbraw/zinc/05/34/07/569053407.db2.gz XALZILFGIPSQNX-UHFFFAOYSA-N 0 0 422.500 4.807 50 0 HJAARN CCCCCCc1cc2c(cc1OC(C)=O)occ(-c1ccc(C(=O)OC)o1)c2=O ZINC000001806962 569053485 /nfs/dbraw/zinc/05/34/85/569053485.db2.gz LINGAVHPSKEAIJ-UHFFFAOYSA-N 0 0 412.438 4.888 50 0 HJAARN C[C@H](NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1cc2ccccc2o1 ZINC000239328976 569054210 /nfs/dbraw/zinc/05/42/10/569054210.db2.gz JYMWFRDRGNBUEL-PXNSSMCTSA-N 0 0 420.509 4.608 50 0 HJAARN COc1ccc(Cl)cc1-c1nc(S[C@H](C)C(=O)Nc2ccc(C)cc2)n[nH]1 ZINC000006463790 569057729 /nfs/dbraw/zinc/05/77/29/569057729.db2.gz NDUJEUIOMSMAKE-GFCCVEGCSA-N 0 0 402.907 4.561 50 0 HJAARN CC(=O)c1cc(C(=O)Nc2ccccc2Oc2ncc(Cl)cc2Cl)n(C)c1 ZINC000089291917 569058160 /nfs/dbraw/zinc/05/81/60/569058160.db2.gz AGFDYXNTOHYOTL-UHFFFAOYSA-N 0 0 404.253 4.974 50 0 HJAARN Cc1nc(C)c(Cc2ccccc2)c(N2CCN(C(=O)C[C@H](C)CC(C)(C)C)CC2)n1 ZINC000035769093 569058179 /nfs/dbraw/zinc/05/81/79/569058179.db2.gz KHRPEUYQHQNTBP-IBGZPJMESA-N 0 0 422.617 4.795 50 0 HJAARN CC(C)CC(=O)N(CC(=O)N(Cc1cccs1)Cc1ccc(F)cc1)CC(C)C ZINC000035771124 569058273 /nfs/dbraw/zinc/05/82/73/569058273.db2.gz QKGFAJSERBUVPN-UHFFFAOYSA-N 0 0 418.578 4.947 50 0 HJAARN COC(=O)c1c2c(sc1NC(=O)c1cccc(OC)c1)C[C@H](C(C)(C)C)CC2 ZINC000001918442 569059333 /nfs/dbraw/zinc/05/93/33/569059333.db2.gz PMZCTIWDJMOHTA-CQSZACIVSA-N 0 0 401.528 4.947 50 0 HJAARN COc1cccc(C(=O)Oc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2)c1 ZINC000001110983 569060275 /nfs/dbraw/zinc/06/02/75/569060275.db2.gz YKAWSXJTOIFBLH-UHFFFAOYSA-N 0 0 400.430 4.920 50 0 biogenic HJAARN CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)/C=C/c1ccccc1 ZINC000004082658 569060785 /nfs/dbraw/zinc/06/07/85/569060785.db2.gz IAPQJTWDFSUNMC-DESXLGDUSA-N 0 0 405.538 4.993 50 0 HJAARN CCCCN1C(=O)CC[C@H](C(=O)NC2CCCCCC2)[C@@H]1c1ccc(OC)cc1 ZINC000006508697 569061880 /nfs/dbraw/zinc/06/18/80/569061880.db2.gz OJUNXKVLFVZVPY-GMAHTHKFSA-N 0 0 400.563 4.614 50 0 HJAARN Cc1cc(C)n(Cc2cccc(C)c2)c1C(=O)N1CCN(c2ccccc2C)CC1 ZINC000035836937 569061990 /nfs/dbraw/zinc/06/19/90/569061990.db2.gz NXJGJOZODWRXPV-UHFFFAOYSA-N 0 0 401.554 4.732 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)N1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000064450060 569062717 /nfs/dbraw/zinc/06/27/17/569062717.db2.gz YPHCWSSPXTYMEJ-UHFFFAOYSA-N 0 0 419.916 4.803 50 0 HJAARN CCOC(=O)c1ccc(Nc2c(C(=O)N3CCCC3)cnc3ccc(F)cc32)cc1 ZINC000064471979 569063572 /nfs/dbraw/zinc/06/35/72/569063572.db2.gz PPJOKHPDBFLHOH-UHFFFAOYSA-N 0 0 407.445 4.530 50 0 HJAARN COc1cc2nc(C(=O)N3CCC[C@@H](C)C3)cc(Nc3ccccc3)c2cc1OC ZINC000064474132 569063630 /nfs/dbraw/zinc/06/36/30/569063630.db2.gz RJODEPWQAUZWIW-MRXNPFEDSA-N 0 0 405.498 4.868 50 0 HJAARN C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nnc(Nc2ccccc2)s1 ZINC000006560295 569065727 /nfs/dbraw/zinc/06/57/27/569065727.db2.gz SDMACFISPDSVGL-NSHDSACASA-N 0 0 416.494 4.563 50 0 HJAARN C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000006531993 569064141 /nfs/dbraw/zinc/06/41/41/569064141.db2.gz XHPWRHFCTNCPAL-SJORKVTESA-N 0 0 418.566 4.662 50 0 HJAARN Cc1cc(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c(C)n1C1CC1 ZINC000006532136 569064163 /nfs/dbraw/zinc/06/41/63/569064163.db2.gz IXYCLHXPKKATKJ-UHFFFAOYSA-N 0 0 406.555 4.932 50 0 HJAARN CC[C@@H]1Oc2ccc(NC(=O)Cc3cccs3)cc2CN(Cc2ccccc2)C1=O ZINC000035873060 569064193 /nfs/dbraw/zinc/06/41/93/569064193.db2.gz PIRBYYIPGVBDMV-NRFANRHFSA-N 0 0 420.534 4.629 50 0 HJAARN COc1cccc(-c2nc(CSc3nncn3-c3ccccc3OC)cs2)c1 ZINC000006534828 569064307 /nfs/dbraw/zinc/06/43/07/569064307.db2.gz JNNQIJZNDPWHCG-UHFFFAOYSA-N 0 0 410.524 4.700 50 0 HJAARN C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000006549783 569064917 /nfs/dbraw/zinc/06/49/17/569064917.db2.gz PQPLQQUUAPCSMH-GJZGRUSLSA-N 0 0 410.518 4.642 50 0 HJAARN CCOc1ccc(OCC)c(-c2csc(NC(=O)c3cccnc3OCC)n2)c1 ZINC000006552792 569065314 /nfs/dbraw/zinc/06/53/14/569065314.db2.gz XYCRXAMCWRWERM-UHFFFAOYSA-N 0 0 413.499 4.654 50 0 HJAARN COc1ccccc1CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000006553450 569065592 /nfs/dbraw/zinc/06/55/92/569065592.db2.gz PFDOUNCMUBBTLU-UHFFFAOYSA-N 0 0 404.466 4.527 50 0 HJAARN Cc1nc2ccc(NC(=O)c3ccccc3SCC(=O)N3CCCC3)cc2s1 ZINC000006558472 569065613 /nfs/dbraw/zinc/06/56/13/569065613.db2.gz ZPJNEMHQJWODGZ-UHFFFAOYSA-N 0 0 411.552 4.572 50 0 HJAARN O=C(COc1ccc2c(c1)CCC2)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000006567013 569066197 /nfs/dbraw/zinc/06/61/97/569066197.db2.gz ZTHMBHBQZMFOOJ-DEOSSOPVSA-N 0 0 411.505 4.531 50 0 HJAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)cc1 ZINC000006564962 569066239 /nfs/dbraw/zinc/06/62/39/569066239.db2.gz UQMOAVBQIIIKAX-FQEVSTJZSA-N 0 0 411.505 4.808 50 0 HJAARN Cc1cc(I)ccc1NC(=O)c1ccccc1C(F)(F)F ZINC000006566628 569066325 /nfs/dbraw/zinc/06/63/25/569066325.db2.gz UQXRGQSSPWPUOB-UHFFFAOYSA-N 0 0 405.157 4.871 50 0 HJAARN CC(C)CNc1nc2nn(-c3ccccc3Cl)c(N)c2c(-c2ccc(F)cc2)n1 ZINC000035929941 569066713 /nfs/dbraw/zinc/06/67/13/569066713.db2.gz DWEOEPDCXCHUNG-UHFFFAOYSA-N 0 0 410.884 4.925 50 0 HJAARN C[C@@H](CCc1ccccc1)NC(=O)c1cnn2c1nccc2-c1ccc(Cl)cc1 ZINC000035933124 569066752 /nfs/dbraw/zinc/06/67/52/569066752.db2.gz ZUDPMKQDYJJOOO-INIZCTEOSA-N 0 0 404.901 4.801 50 0 HJAARN Cc1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000064557749 569066780 /nfs/dbraw/zinc/06/67/80/569066780.db2.gz SLTTXWHSCDVFAD-OAQYLSRUSA-N 0 0 419.502 4.635 50 0 HJAARN COc1cc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccccc32)cc(OC)c1 ZINC000064568416 569067542 /nfs/dbraw/zinc/06/75/42/569067542.db2.gz WFEPHXNBAUSNJI-UHFFFAOYSA-N 0 0 405.498 4.868 50 0 HJAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nnc(C3CC3)s2)cc1 ZINC000006582404 569067912 /nfs/dbraw/zinc/06/79/12/569067912.db2.gz MRLOWFMZOVTURH-UHFFFAOYSA-N 0 0 417.494 4.529 50 0 HJAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)Nc3ccccc3OC)cc2)cc1 ZINC000006583872 569067967 /nfs/dbraw/zinc/06/79/67/569067967.db2.gz FYJGAIITCOMJSN-UHFFFAOYSA-N 0 0 405.454 4.990 50 0 HJAARN COc1ccc(C)cc1NC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000006589865 569068368 /nfs/dbraw/zinc/06/83/68/569068368.db2.gz RXTRJHVPHHTZSP-UHFFFAOYSA-N 0 0 408.523 4.821 50 0 HJAARN COc1ccccc1NC(=O)COc1ccccc1-c1nc(-c2ccc(C)cc2)no1 ZINC000064579634 569068403 /nfs/dbraw/zinc/06/84/03/569068403.db2.gz FJXCNWPXZWCSHF-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN Cc1csc(N(C(=O)c2ccc(CSc3nc[nH]n3)cc2)c2ccccc2)n1 ZINC000006590708 569068673 /nfs/dbraw/zinc/06/86/73/569068673.db2.gz DZIAUWUHNSFSHL-UHFFFAOYSA-N 0 0 407.524 4.840 50 0 HJAARN Cc1nc([C@@H](C)N(C)Cc2nc3ccccc3c(=O)[nH]2)oc1-c1ccc(Cl)cc1 ZINC000089557946 569070197 /nfs/dbraw/zinc/07/01/97/569070197.db2.gz NUUJGWHOGKBUHX-CQSZACIVSA-N 0 0 408.889 4.733 50 0 HJAARN CCc1ccccc1N(C)S(=O)(=O)c1cccc(-c2nc(-c3ccccc3)no2)c1 ZINC000064610871 569071289 /nfs/dbraw/zinc/07/12/89/569071289.db2.gz HZBFOIIGADPHAQ-UHFFFAOYSA-N 0 0 419.506 4.791 50 0 HJAARN COc1ccc(-c2c(C)oc3c(ccc4c3CN(CCCOC(C)C)CO4)c2=O)cc1 ZINC000054333075 569071703 /nfs/dbraw/zinc/07/17/03/569071703.db2.gz BXHFGLNJXCCXIL-UHFFFAOYSA-N 0 0 423.509 4.744 50 0 biogenic HJAARN Cc1cccc(-c2ncc(C(=O)N[C@H](C)c3ccccc3)c(N3CCCCC3)n2)c1 ZINC000035988593 569074329 /nfs/dbraw/zinc/07/43/29/569074329.db2.gz KDXQXQCLBYUANO-LJQANCHMSA-N 0 0 400.526 4.933 50 0 HJAARN Cc1ccc(-c2cc(CN(Cc3ccco3)S(=O)(=O)c3ccccc3)no2)cc1C ZINC000036001883 569075233 /nfs/dbraw/zinc/07/52/33/569075233.db2.gz HHHZIWWKQOQALT-UHFFFAOYSA-N 0 0 422.506 4.943 50 0 HJAARN Cc1coc2c1cc1c(C)c(CCC(=O)Nc3ccc4c(c3)OCO4)c(=O)oc1c2C ZINC000006623903 569075362 /nfs/dbraw/zinc/07/53/62/569075362.db2.gz TYOIWCGYKJKSKH-UHFFFAOYSA-N 0 0 419.433 4.764 50 0 biogenic HJAARN Cc1cc(C(=O)CSc2nnc(-c3cccc(C)c3)n2C)c(C)n1Cc1ccco1 ZINC000006627776 569076031 /nfs/dbraw/zinc/07/60/31/569076031.db2.gz IVNWIGMFNZZQLK-UHFFFAOYSA-N 0 0 420.538 4.825 50 0 HJAARN Cc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(C(C)C)cc2)CC3)cc1 ZINC000064660399 569077927 /nfs/dbraw/zinc/07/79/27/569077927.db2.gz QBUXGLQYURWVDA-UHFFFAOYSA-N 0 0 412.580 4.989 50 0 HJAARN COc1cc(NC(=O)c2ccccc2OCc2ccc(F)cc2)cc(OC)c1OC ZINC000006640283 569078049 /nfs/dbraw/zinc/07/80/49/569078049.db2.gz AQZYMIWRZPJDIS-UHFFFAOYSA-N 0 0 411.429 4.683 50 0 HJAARN Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)c(C)n2C)n1 ZINC000064668272 569078723 /nfs/dbraw/zinc/07/87/23/569078723.db2.gz RTRLODOKWNNAFD-UHFFFAOYSA-N 0 0 415.462 4.585 50 0 HJAARN CC[C@@H](C)NS(=O)(=O)c1cc(-c2nc(-c3cccc(Cl)c3)cs2)n(C)c1C ZINC000064668154 569078739 /nfs/dbraw/zinc/07/87/39/569078739.db2.gz RVZVYHZNRVXKTE-GFCCVEGCSA-N 0 0 423.991 4.854 50 0 HJAARN Cc1ccc2c(c1)OC[C@H](CC(=O)NCc1ccccc1)N2Cc1ccc(F)cc1 ZINC000064663547 569079748 /nfs/dbraw/zinc/07/97/48/569079748.db2.gz QCTVRPAHPSDKJI-QFIPXVFZSA-N 0 0 404.485 4.608 50 0 HJAARN Cc1ccc(NC(=O)CSc2ncnc3sc4c(c32)CC[C@@H](C)C4)cc1F ZINC000006647924 569080745 /nfs/dbraw/zinc/08/07/45/569080745.db2.gz BEKZFGIHSJMCDU-LLVKDONJSA-N 0 0 401.532 4.994 50 0 HJAARN O=C(Nc1ccnn1Cc1ccco1)c1cccnc1Sc1ccc(Cl)cc1 ZINC000006651430 569082415 /nfs/dbraw/zinc/08/24/15/569082415.db2.gz RYNSUGZBJMKYGY-UHFFFAOYSA-N 0 0 410.886 4.976 50 0 HJAARN CCNC(=O)CNc1nc(CSc2ccc(Cl)cc2)nc2sc(C)c(C)c21 ZINC000006654220 569082773 /nfs/dbraw/zinc/08/27/73/569082773.db2.gz RDZYTQPFXPYVAJ-UHFFFAOYSA-N 0 0 420.991 4.802 50 0 HJAARN Cc1ccc(C)c(CN(Cc2nc(C(=O)NC3CC3)co2)[C@@H](C)c2ccccc2)c1 ZINC000036073424 569086331 /nfs/dbraw/zinc/08/63/31/569086331.db2.gz QHBXSKBFSGOIAO-IBGZPJMESA-N 0 0 403.526 4.947 50 0 HJAARN CCN(C)C(=O)c1coc(CN(Cc2ccc(F)cc2F)[C@H](C)c2ccccc2)n1 ZINC000036073483 569086357 /nfs/dbraw/zinc/08/63/57/569086357.db2.gz FEYWYQCQDNCDCT-MRXNPFEDSA-N 0 0 413.468 4.808 50 0 HJAARN Cc1ccccc1OCC(=O)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1 ZINC000006669922 569086613 /nfs/dbraw/zinc/08/66/13/569086613.db2.gz BIKUKGYENGWDRY-UHFFFAOYSA-N 0 0 405.498 4.785 50 0 HJAARN CC(C)CNC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2cccc(F)c2)n1 ZINC000036072440 569086629 /nfs/dbraw/zinc/08/66/29/569086629.db2.gz VOCHFFHPISMOBJ-UHFFFAOYSA-N 0 0 413.468 4.541 50 0 HJAARN CC(C)c1ccccc1OCc1nc(C(=O)NCc2ccc3c(c2)OCO3)cs1 ZINC000036083968 569087491 /nfs/dbraw/zinc/08/74/91/569087491.db2.gz UJUBVDJPXJBQCI-UHFFFAOYSA-N 0 0 410.495 4.504 50 0 HJAARN CCOc1ccccc1NC(=O)N1CCC[C@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000064747709 569089046 /nfs/dbraw/zinc/08/90/46/569089046.db2.gz QTEIHWRHWPFEEZ-KRWDZBQOSA-N 0 0 414.412 4.783 50 0 HJAARN CC(C)CS(=O)(=O)c1nc2ccc(NC(=O)c3ccc(Cl)s3)cc2s1 ZINC000064747899 569089103 /nfs/dbraw/zinc/08/91/03/569089103.db2.gz HPPLRWZTHNGIEV-UHFFFAOYSA-N 0 0 414.961 4.693 50 0 HJAARN Cc1ccc(-c2noc(-c3cccc(S(=O)(=O)N(C)C4CCCCC4)c3)n2)cc1 ZINC000064747793 569089105 /nfs/dbraw/zinc/08/91/05/569089105.db2.gz SOPYNJHRAUWDGD-UHFFFAOYSA-N 0 0 411.527 4.665 50 0 HJAARN COc1c2ccc(Cl)cc2sc1C(=O)N1CCN(c2ccccc2OC)CC1 ZINC000064756737 569089821 /nfs/dbraw/zinc/08/98/21/569089821.db2.gz JGQBMUFZEOHSDY-UHFFFAOYSA-N 0 0 416.930 4.534 50 0 HJAARN O=C(C1CCC1)N(Cc1ccc(F)cc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000006695261 569091586 /nfs/dbraw/zinc/09/15/86/569091586.db2.gz LGPYUZCSNVUZSW-IBGZPJMESA-N 0 0 418.871 4.940 50 0 HJAARN Cc1oc(-c2ccc(C)cc2)nc1Cn1ccn2nc(-c3cccs3)cc2c1=O ZINC000064775008 569093407 /nfs/dbraw/zinc/09/34/07/569093407.db2.gz PYEDGAIVEJESTI-UHFFFAOYSA-N 0 0 402.479 4.545 50 0 HJAARN CC[C@H](C)N(Cc1csc(COc2ccccc2OC)n1)C(=O)NC(C)(C)C ZINC000036115120 569094114 /nfs/dbraw/zinc/09/41/14/569094114.db2.gz JNNGKYAKLFAVAQ-HNNXBMFYSA-N 0 0 405.564 4.839 50 0 HJAARN CN(Cc1nc2ccccc2n1Cc1ccc(Br)cc1)C(=O)c1ccco1 ZINC000064787811 569094371 /nfs/dbraw/zinc/09/43/71/569094371.db2.gz VDBAHQACCXGYMX-UHFFFAOYSA-N 0 0 424.298 4.712 50 0 HJAARN COc1cccc(C(=O)CSc2nnc(NC(=O)C[C@H](C)CC(C)(C)C)s2)c1 ZINC000006705033 569094768 /nfs/dbraw/zinc/09/47/68/569094768.db2.gz FIGOMTUFTOPIJN-ZDUSSCGKSA-N 0 0 421.588 4.923 50 0 HJAARN CC(C)[C@H](C)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C(=O)C(C)(C)C ZINC000006708755 569095517 /nfs/dbraw/zinc/09/55/17/569095517.db2.gz OWAJTNYFKPPFHB-KRWDZBQOSA-N 0 0 401.595 4.910 50 0 HJAARN CCc1ccc([C@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)cc1 ZINC000064798330 569096680 /nfs/dbraw/zinc/09/66/80/569096680.db2.gz BJQJDHHPCLWKQE-GOSISDBHSA-N 0 0 411.548 4.926 50 0 HJAARN CC[C@@H](C)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C(=O)NC(C)(C)C ZINC000006712943 569096873 /nfs/dbraw/zinc/09/68/73/569096873.db2.gz BNQJDNUOHDCGPP-MRXNPFEDSA-N 0 0 402.583 4.600 50 0 HJAARN Cc1cccc(C(=O)N(Cc2cc(NC(=O)C3CC3)ccc2N(C)C)CC(C)C)c1 ZINC000006722729 569099788 /nfs/dbraw/zinc/09/97/88/569099788.db2.gz CFBRDTFBVTYBOG-UHFFFAOYSA-N 0 0 407.558 4.708 50 0 HJAARN CC[C@H](C)N(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)C(=O)NC(C)(C)C ZINC000006722975 569099916 /nfs/dbraw/zinc/09/99/16/569099916.db2.gz HTQWWWYGPCNHHZ-KRWDZBQOSA-N 0 0 404.599 4.846 50 0 HJAARN CCNC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2cccs2)[C@H](C)C(C)C)c1 ZINC000006723068 569099977 /nfs/dbraw/zinc/09/99/77/569099977.db2.gz LQVDKMRVXKRZBN-MRXNPFEDSA-N 0 0 416.591 4.642 50 0 HJAARN CCN1c2ccc(F)cc2[C@]2(SC(C)(C)CN2C(=O)c2cccc(Cl)c2)C1=O ZINC000036152360 569100238 /nfs/dbraw/zinc/10/02/38/569100238.db2.gz HAXGHDRNDPASKV-NRFANRHFSA-N 0 0 418.921 4.666 50 0 HJAARN CN(C)c1ccc(NC(=O)c2ccco2)cc1CN(CC1CC1)C(=O)CC(C)(C)C ZINC000006723266 569100273 /nfs/dbraw/zinc/10/02/73/569100273.db2.gz DUGATPOOARXWKC-UHFFFAOYSA-N 0 0 411.546 4.773 50 0 HJAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)CC1CC1 ZINC000006723270 569100327 /nfs/dbraw/zinc/10/03/27/569100327.db2.gz JPYLQCWEVGYJOL-UHFFFAOYSA-N 0 0 401.595 4.912 50 0 HJAARN CCN1c2ccc(F)cc2[C@]2(SC(C)(C)CN2C(=O)Nc2cccc(F)c2)C1=O ZINC000036151250 569100483 /nfs/dbraw/zinc/10/04/83/569100483.db2.gz ZTLFOYUNJUQTCC-NRFANRHFSA-N 0 0 417.481 4.544 50 0 HJAARN COc1ccccc1C(=O)n1nc(-c2ccc(Cl)cc2)nc1NCc1ccco1 ZINC000006732781 569103814 /nfs/dbraw/zinc/10/38/14/569103814.db2.gz CGXTXCSIAFUSFT-UHFFFAOYSA-N 0 0 408.845 4.501 50 0 HJAARN COc1ccc(CNc2nc(-c3ccccc3)nn2C(=O)c2ccc(Cl)cc2)cc1 ZINC000006732756 569103847 /nfs/dbraw/zinc/10/38/47/569103847.db2.gz GMXMBGQUEACWHN-UHFFFAOYSA-N 0 0 418.884 4.908 50 0 HJAARN COc1ccc(OCc2ccc(C(=O)Nc3cc(Cl)c(OC)cc3OC)o2)cc1 ZINC000064837285 569105068 /nfs/dbraw/zinc/10/50/68/569105068.db2.gz LAWMTEPIPDUGDC-UHFFFAOYSA-N 0 0 417.845 4.790 50 0 HJAARN C[C@H](C(=O)Nc1cccc(F)c1)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000064847825 569107389 /nfs/dbraw/zinc/10/73/89/569107389.db2.gz QUKXKRRSNBXBRA-AWEZNQCLSA-N 0 0 403.885 4.998 50 0 HJAARN CC[C@@H](C(=O)N1CCC2(CC1)Nc1cc(OC)ccc1-n1cccc12)c1ccccc1 ZINC000064848263 569107468 /nfs/dbraw/zinc/10/74/68/569107468.db2.gz FLPNCJQJRMFPNS-OAQYLSRUSA-N 0 0 415.537 4.923 50 0 biogenic HJAARN COc1ccc(CC(=O)N2CCC3(CC2)Nc2ccc(Cl)cc2-n2cccc23)cc1 ZINC000064848307 569107543 /nfs/dbraw/zinc/10/75/43/569107543.db2.gz FQBCQZAAXMIGGE-UHFFFAOYSA-N 0 0 421.928 4.625 50 0 biogenic HJAARN COc1ccc2cc3cc(C(=O)Nc4cc(Cl)c(OC)cc4OC)oc3nc2c1 ZINC000006744831 569107559 /nfs/dbraw/zinc/10/75/59/569107559.db2.gz ZCVTTWKUTBAYRH-UHFFFAOYSA-N 0 0 412.829 4.913 50 0 HJAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccc(Cl)cc2)N1Cc1ccncc1 ZINC000006744686 569107610 /nfs/dbraw/zinc/10/76/10/569107610.db2.gz DCXLYLFDYRDMHY-JOCHJYFZSA-N 0 0 416.868 4.576 50 0 HJAARN Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)NCc2ccccc2Cl)c1C ZINC000064845694 569108106 /nfs/dbraw/zinc/10/81/06/569108106.db2.gz UQCJDAABGTZYAH-UHFFFAOYSA-N 0 0 410.948 4.769 50 0 HJAARN Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)N2CCCc3ccccc32)c1C ZINC000064845777 569108252 /nfs/dbraw/zinc/10/82/52/569108252.db2.gz UWZHIUYNFJADAW-UHFFFAOYSA-N 0 0 402.541 4.778 50 0 HJAARN COc1ccc(C(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)cc1 ZINC000064858612 569109238 /nfs/dbraw/zinc/10/92/38/569109238.db2.gz LETWTGZUGFPKLG-UHFFFAOYSA-N 0 0 401.510 4.660 50 0 biogenic HJAARN CCCN(CCC)C(=O)Cn1c2cnccc2nc1SCc1ccccc1F ZINC000006752300 569110280 /nfs/dbraw/zinc/11/02/80/569110280.db2.gz CCYHLJQNSOHEIR-UHFFFAOYSA-N 0 0 400.523 4.511 50 0 HJAARN CN(C(=O)Cn1c2cnccc2nc1SCc1ccccc1F)C1CCCCC1 ZINC000006752297 569110335 /nfs/dbraw/zinc/11/03/35/569110335.db2.gz PZDVQOYZNNZKEZ-UHFFFAOYSA-N 0 0 412.534 4.654 50 0 HJAARN Cc1cccc(OCCCCn2c(CCNC(=O)C(C)(C)C)nc3ccccc32)c1 ZINC000006753091 569111745 /nfs/dbraw/zinc/11/17/45/569111745.db2.gz KTSOTSGRXIIKMB-UHFFFAOYSA-N 0 0 407.558 4.909 50 0 HJAARN Cc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC3)cc1 ZINC000064868318 569111935 /nfs/dbraw/zinc/11/19/35/569111935.db2.gz BUBOKIPBFXAPAI-UHFFFAOYSA-N 0 0 422.934 4.658 50 0 HJAARN Cc1ccc([C@@H](C)NC(=O)C2CCN(c3cc(-c4cccc(C)c4)ncn3)CC2)cc1 ZINC000064873063 569113878 /nfs/dbraw/zinc/11/38/78/569113878.db2.gz PEGDJPSLZHFSIO-HXUWFJFHSA-N 0 0 414.553 4.854 50 0 HJAARN Cc1ccc(C(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)cc1F ZINC000064887978 569115253 /nfs/dbraw/zinc/11/52/53/569115253.db2.gz FNEVHKFQTXIARX-UHFFFAOYSA-N 0 0 401.485 4.699 50 0 HJAARN Cc1cccc(-n2c(=O)c3cnn(-c4ccc(Cl)cc4)c3nc2-c2ccco2)c1 ZINC000006769180 569116042 /nfs/dbraw/zinc/11/60/42/569116042.db2.gz VGXWHJRLWDIYHV-UHFFFAOYSA-N 0 0 402.841 4.793 50 0 HJAARN Cc1nc2cc(-c3noc(Cc4ccc(F)cc4)n3)ccc2n(C2CCCC2)c1=O ZINC000064890504 569116373 /nfs/dbraw/zinc/11/63/73/569116373.db2.gz XZLDXOGGBREFIM-UHFFFAOYSA-N 0 0 404.445 4.600 50 0 HJAARN COc1ccc(CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1OC ZINC000036246474 569116648 /nfs/dbraw/zinc/11/66/48/569116648.db2.gz DGHQBMOGTLDHPN-UHFFFAOYSA-N 0 0 417.914 4.753 50 0 HJAARN COc1cccc(S(=O)(=O)N(Cc2ccccc2F)c2cccc(Cl)c2)c1 ZINC000036248066 569117275 /nfs/dbraw/zinc/11/72/75/569117275.db2.gz SODWKOATUDFYNU-UHFFFAOYSA-N 0 0 405.878 4.883 50 0 HJAARN CC(C)N(CCC(=O)NCc1ccco1)c1nc(C2CC2)nc2cc(Cl)ccc21 ZINC000006774666 569118436 /nfs/dbraw/zinc/11/84/36/569118436.db2.gz QZFLCGQMYPTFLM-UHFFFAOYSA-N 0 0 412.921 4.675 50 0 HJAARN CCCN(CCC(=O)N[C@H](C)c1ccccc1)c1nc(C2CC2)nc2ccccc21 ZINC000006775226 569118807 /nfs/dbraw/zinc/11/88/07/569118807.db2.gz MYADXTDAIHUCDC-GOSISDBHSA-N 0 0 402.542 4.991 50 0 HJAARN CC[C@H](C)NC(=O)CCN(CCc1ccccc1)c1nc(C2CC2)nc2ccccc21 ZINC000006775232 569118809 /nfs/dbraw/zinc/11/88/09/569118809.db2.gz YVVZHIGRBRVRCT-IBGZPJMESA-N 0 0 416.569 4.861 50 0 HJAARN CC(C)Oc1nc(-c2ccco2)n(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 ZINC000006775195 569118819 /nfs/dbraw/zinc/11/88/19/569118819.db2.gz AQIYXTCFFVJVCM-UHFFFAOYSA-N 0 0 406.417 4.706 50 0 HJAARN CCOc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NC(=O)CC)cc2)n1 ZINC000006776102 569119047 /nfs/dbraw/zinc/11/90/47/569119047.db2.gz RJQSLFUPNSJHOK-UHFFFAOYSA-N 0 0 404.392 4.700 50 0 HJAARN CCc1c(C)c(C(=O)NCc2ccc3c(c2)OCO3)n(Cc2cccc(C)c2)c1C ZINC000006776050 569119068 /nfs/dbraw/zinc/11/90/68/569119068.db2.gz JYJMVZNMNDXJRX-UHFFFAOYSA-N 0 0 404.510 4.683 50 0 HJAARN C[C@@H]1CCC[C@H](NC(=O)C2CCN(c3nc4ccccc4n4cccc34)CC2)[C@@H]1C ZINC000006782566 569120663 /nfs/dbraw/zinc/12/06/63/569120663.db2.gz GSCFTUHQHDIPFJ-GGPKGHCWSA-N 0 0 404.558 4.645 50 0 HJAARN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cc3ccccc3o2)c1 ZINC000006782916 569120667 /nfs/dbraw/zinc/12/06/67/569120667.db2.gz FEBXEGNCJHKBCF-UHFFFAOYSA-N 0 0 415.902 4.952 50 0 HJAARN CCOc1ccc(NC(=O)c2cc(-c3cccnc3)n(-c3ccc(F)cc3)n2)cc1 ZINC000064919349 569120751 /nfs/dbraw/zinc/12/07/51/569120751.db2.gz QUKUOGUKPXULPL-UHFFFAOYSA-N 0 0 402.429 4.724 50 0 HJAARN CCOc1ccc(NC(=O)c2cc(-c3ccncc3)n(-c3ccc(F)cc3)n2)cc1 ZINC000064919556 569120893 /nfs/dbraw/zinc/12/08/93/569120893.db2.gz APKNEBVIVDLTHM-UHFFFAOYSA-N 0 0 402.429 4.724 50 0 HJAARN O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)NCCc1ccc(Cl)cc1 ZINC000006787141 569121891 /nfs/dbraw/zinc/12/18/91/569121891.db2.gz SHUATLSMFYPCSF-UHFFFAOYSA-N 0 0 420.336 4.707 50 0 HJAARN O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN(c2ccnc(-c3cccc(F)c3)n2)C1 ZINC000064929050 569123404 /nfs/dbraw/zinc/12/34/04/569123404.db2.gz WEAJRBBPESQOHI-MRXNPFEDSA-N 0 0 410.880 4.791 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)Nc1nnc(N(CC(C)C)CC(C)C)s1 ZINC000006792226 569124693 /nfs/dbraw/zinc/12/46/93/569124693.db2.gz CWOYPNMJHHFJJT-UHFFFAOYSA-N 0 0 411.959 4.963 50 0 HJAARN CCc1ccc(O[C@H](C)C(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](C)C3)cc1 ZINC000006791723 569124692 /nfs/dbraw/zinc/12/46/92/569124692.db2.gz AWQMTALBKUSJAN-UONOGXRCSA-N 0 0 401.528 4.628 50 0 HJAARN Cc1ccc(CNC(=O)CCCN2c3cccnc3Sc3ccccc3C2=O)cc1 ZINC000006797063 569125173 /nfs/dbraw/zinc/12/51/73/569125173.db2.gz DMLKDJRZZCLGKT-UHFFFAOYSA-N 0 0 417.534 4.598 50 0 HJAARN COc1ccc2c(C[NH2+]CCc3cccs3)c(C(=O)[O-])n(Cc3ccccc3)c2c1 ZINC000006794779 569125707 /nfs/dbraw/zinc/12/57/07/569125707.db2.gz CKHXLFGFUYGTNP-UHFFFAOYSA-N 0 0 420.534 4.790 50 0 HJAARN CC[C@@H](C(=O)N[C@@H](C)c1ccccc1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000006799293 569126368 /nfs/dbraw/zinc/12/63/68/569126368.db2.gz NEIXXRMGKWLSBX-KSSFIOAISA-N 0 0 405.523 4.748 50 0 HJAARN Cc1nn(CCCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c(=O)c2c3ccccc3sc21 ZINC000006799443 569126480 /nfs/dbraw/zinc/12/64/80/569126480.db2.gz BICXINLHFOZBFO-RLFYNMQTSA-N 0 0 411.571 4.641 50 0 HJAARN O=C(CSc1ccc(NCc2ccc(F)cc2)nn1)Nc1ccc(Cl)cc1 ZINC000064944968 569128217 /nfs/dbraw/zinc/12/82/17/569128217.db2.gz FJTIBCZDJUIFDR-UHFFFAOYSA-N 0 0 402.882 4.612 50 0 HJAARN O=C(CSc1ccc(NCc2ccc(Cl)cc2)nn1)Nc1ccc2c(c1)CCC2 ZINC000064945141 569128380 /nfs/dbraw/zinc/12/83/80/569128380.db2.gz MVHBRLWSTHVISA-UHFFFAOYSA-N 0 0 424.957 4.962 50 0 HJAARN CSc1cccc(NC(=O)CSc2nc3ccccc3n3c2nnc3C(C)C)c1 ZINC000064949265 569129052 /nfs/dbraw/zinc/12/90/52/569129052.db2.gz ZDBQVUZLZDAPES-UHFFFAOYSA-N 0 0 423.567 4.854 50 0 HJAARN CCc1cc(N(C)C2CCCCC2)nc(SCc2ccc(C(=O)NC3CC3)cc2)n1 ZINC000006802124 569129573 /nfs/dbraw/zinc/12/95/73/569129573.db2.gz PVJTYKGPHPNJID-UHFFFAOYSA-N 0 0 424.614 4.992 50 0 HJAARN Cc1c(C[NH2+]Cc2ccccc2)c(C(=O)[O-])c(C)n1Cc1c(F)cccc1Cl ZINC000006806770 569131133 /nfs/dbraw/zinc/13/11/33/569131133.db2.gz QKVNDDBCNYSHLZ-UHFFFAOYSA-N 0 0 400.881 4.934 50 0 HJAARN Cc1nc2cc(-c3ccccc3)nn2c(C)c1CC(=O)NCc1ccc(Cl)cc1 ZINC000006808965 569133013 /nfs/dbraw/zinc/13/30/13/569133013.db2.gz MQKMBPCIAQJBKG-UHFFFAOYSA-N 0 0 404.901 4.525 50 0 HJAARN Cc1ccc(NC(=O)CN2C(=O)C(c3ccc(Cl)cc3)=NC23CCCCC3)cc1C ZINC000006808674 569133439 /nfs/dbraw/zinc/13/34/39/569133439.db2.gz NCCDPPPXHPOTHJ-UHFFFAOYSA-N 0 0 423.944 4.887 50 0 HJAARN CCCN(Cc1c(-c2cccc(C)c2)noc1N1CCOCC1)C(=O)c1ccccc1 ZINC000036314293 569133946 /nfs/dbraw/zinc/13/39/46/569133946.db2.gz JJHHZCKFZOHQPW-UHFFFAOYSA-N 0 0 419.525 4.539 50 0 HJAARN O=C(c1ccc(Br)cc1)N1CCC[C@H](OCc2cc(F)ccc2F)C1 ZINC000036315530 569134278 /nfs/dbraw/zinc/13/42/78/569134278.db2.gz WPYDTYSGWNSAII-KRWDZBQOSA-N 0 0 410.258 4.549 50 0 HJAARN COc1cc(CO[C@H]2CCCN(C(=O)c3ccc(Cl)cc3Cl)C2)cc(OC)c1 ZINC000036315567 569134298 /nfs/dbraw/zinc/13/42/98/569134298.db2.gz YOTJQAHJXWLUTJ-INIZCTEOSA-N 0 0 424.324 4.832 50 0 HJAARN O=C(c1ccccc1Cl)N1CCC[C@H](OCc2ccc(Br)cc2)C1 ZINC000036314946 569134635 /nfs/dbraw/zinc/13/46/35/569134635.db2.gz BBXPFLZOGJAYGQ-INIZCTEOSA-N 0 0 408.723 4.924 50 0 HJAARN C[C@@H](CCc1ccco1)NC(=O)c1nn(C)c2c1CSc1ccc(Cl)cc1-2 ZINC000064959632 569135412 /nfs/dbraw/zinc/13/54/12/569135412.db2.gz PRUSJMFGKMQVIX-LBPRGKRZSA-N 0 0 401.919 4.690 50 0 HJAARN CCOC(=O)c1nc2onc(-c3ccc(F)cc3)c2c(Nc2ccc(C)c(C)c2)n1 ZINC000064960308 569135502 /nfs/dbraw/zinc/13/55/02/569135502.db2.gz ULMPUUXCTKQRPT-UHFFFAOYSA-N 0 0 406.417 4.961 50 0 HJAARN Cc1oc(-c2ccc(C)cc2)nc1Cn1ccn2nc(-c3ccc(F)cc3)cc2c1=O ZINC000064977414 569139672 /nfs/dbraw/zinc/13/96/72/569139672.db2.gz QDQJKXFYBWUEAQ-UHFFFAOYSA-N 0 0 414.440 4.622 50 0 HJAARN Cc1ccc(C2=NN(C(=O)CN3CCC(C)CC3)[C@H](c3ccccc3F)C2)cc1C ZINC000036341479 569141946 /nfs/dbraw/zinc/14/19/46/569141946.db2.gz PJDJEKWJDOESIH-DEOSSOPVSA-N 0 0 407.533 4.852 50 0 HJAARN Cc1ccccc1[C@H]1CC(c2cccc(F)c2)=NN1C(=O)CN(C)Cc1ccccc1 ZINC000036345722 569143392 /nfs/dbraw/zinc/14/33/92/569143392.db2.gz CVVYMCAOBXGLNA-RUZDIDTESA-N 0 0 415.512 4.944 50 0 HJAARN COc1cccc(NC(=O)[C@H](Sc2nncn2-c2ccccc2)c2ccccc2)c1 ZINC000006830394 569143958 /nfs/dbraw/zinc/14/39/58/569143958.db2.gz FQURHCUBCOBPHC-OAQYLSRUSA-N 0 0 416.506 4.748 50 0 HJAARN CC(C)C(=O)c1cn(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCCO3)c2ccccc12 ZINC000064987075 569145227 /nfs/dbraw/zinc/14/52/27/569145227.db2.gz HGCCARNLNKDTJE-KRWDZBQOSA-N 0 0 420.509 4.519 50 0 HJAARN Cc1cccc(-c2nnc(-c3ccc(Cl)c(S(=O)(=O)N4CCCCC4)c3)o2)c1 ZINC000064987909 569145540 /nfs/dbraw/zinc/14/55/40/569145540.db2.gz ZKWSNVYRFWLIIU-UHFFFAOYSA-N 0 0 417.918 4.540 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)c1ccc(-c2cc(N3CCCC3)ncn2)cc1 ZINC000064989323 569145909 /nfs/dbraw/zinc/14/59/09/569145909.db2.gz FQTMYDHJLRKHOB-UHFFFAOYSA-N 0 0 408.889 4.658 50 0 HJAARN COC(=O)c1ccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2C)cc1 ZINC000006830928 569147236 /nfs/dbraw/zinc/14/72/36/569147236.db2.gz MFYSUAFOYXOJQN-UHFFFAOYSA-N 0 0 416.506 4.717 50 0 HJAARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccnc1)N1N=NN(c3ccccc3)C1=N2 ZINC000006831381 569147583 /nfs/dbraw/zinc/14/75/83/569147583.db2.gz LRKCKYZHIKIHLT-OAQYLSRUSA-N 0 0 406.453 4.771 50 0 HJAARN O=C(COc1ccccc1-c1ccccc1)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000006832238 569147977 /nfs/dbraw/zinc/14/79/77/569147977.db2.gz UYBYBSUCKQIPCO-UHFFFAOYSA-N 0 0 422.912 4.861 50 0 HJAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4)s3)sc2c1 ZINC000036354616 569148144 /nfs/dbraw/zinc/14/81/44/569148144.db2.gz BFEZQTSKTSQYJC-UHFFFAOYSA-N 0 0 414.533 4.681 50 0 HJAARN O=C(Nc1cccc([C@H]2SCC(=O)N2c2ccc(F)cc2F)c1)c1ccccc1 ZINC000006835799 569149074 /nfs/dbraw/zinc/14/90/74/569149074.db2.gz LNXSRSLGSSIFIX-JOCHJYFZSA-N 0 0 410.445 4.996 50 0 HJAARN CCC[C@H](Sc1nc2ccccc2c(=O)n1-c1cc(C)cc(C)c1)C(=O)OCC ZINC000006837241 569149198 /nfs/dbraw/zinc/14/91/98/569149198.db2.gz MOBODFVPQMMUQG-FQEVSTJZSA-N 0 0 410.539 4.826 50 0 HJAARN COC(=O)C1=C(C)N(Cc2cc(F)cc(F)c2)C(=O)C[C@H]1c1ccccc1Cl ZINC000006837317 569149322 /nfs/dbraw/zinc/14/93/22/569149322.db2.gz ULIXLCJALRDDOH-KRWDZBQOSA-N 0 0 405.828 4.581 50 0 HJAARN O=C(Nc1cccc([C@@H]2SCC(=O)N2c2cccc(F)c2)c1)c1ccccc1F ZINC000006838061 569149652 /nfs/dbraw/zinc/14/96/52/569149652.db2.gz VMDXMGXMMIMNCU-QFIPXVFZSA-N 0 0 410.445 4.996 50 0 HJAARN Cc1c2cc(Br)ccc2oc1C(=O)OCC(=O)Nc1c(C)cccc1C ZINC000006839176 569150228 /nfs/dbraw/zinc/15/02/28/569150228.db2.gz VCBZIGSHQHXMEU-UHFFFAOYSA-N 0 0 416.271 4.916 50 0 HJAARN Cc1nc(-c2nnn(-c3ccc(F)cc3)c2C)sc1C(=O)NC1CCCCCC1 ZINC000064998537 569150294 /nfs/dbraw/zinc/15/02/94/569150294.db2.gz BLZGWEUJCCSTIK-UHFFFAOYSA-N 0 0 413.522 4.599 50 0 HJAARN CC1(C)CC(=O)c2cn(-c3ccc(F)cc3)c(=O)c(C(=O)Nc3ccccc3F)c2C1 ZINC000065000037 569150988 /nfs/dbraw/zinc/15/09/88/569150988.db2.gz HEZTZFAFKWHEDS-UHFFFAOYSA-N 0 0 422.431 4.523 50 0 HJAARN Cc1ccccc1NC(=O)c1c2c(cn(-c3ccccc3)c1=O)C(=O)CC(C)(C)C2 ZINC000065000748 569151069 /nfs/dbraw/zinc/15/10/69/569151069.db2.gz AYLDMMUDXHZKOJ-UHFFFAOYSA-N 0 0 400.478 4.553 50 0 HJAARN CC[C@H]1CN(C(=O)N2CCC(C(=O)Nc3ccc(C)cc3C)CC2)c2ccccc2O1 ZINC000006846392 569153641 /nfs/dbraw/zinc/15/36/41/569153641.db2.gz KCRNLIBEXAXBKM-FQEVSTJZSA-N 0 0 421.541 4.752 50 0 HJAARN CCOc1ccc(CN(C)C(=O)c2ccccc2COc2ccccc2)cc1OC ZINC000006849900 569154003 /nfs/dbraw/zinc/15/40/03/569154003.db2.gz OTVBHZCCELUYSH-UHFFFAOYSA-N 0 0 405.494 4.945 50 0 HJAARN Cc1nc2ccccc2c(SCC(=O)N2CCC(c3nc4ccccc4o3)CC2)n1 ZINC000006851400 569154647 /nfs/dbraw/zinc/15/46/47/569154647.db2.gz DALSRZMAXRQYLG-UHFFFAOYSA-N 0 0 418.522 4.578 50 0 HJAARN Cc1ccc(-c2cnc(N3CCC[C@@H](C(=O)Nc4ccc(C)cc4C)C3)nc2)cc1 ZINC000065023360 569154964 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C[C@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)Nc1ccc(F)cc1F ZINC000065031550 569157494 /nfs/dbraw/zinc/15/74/94/569157494.db2.gz CUTOQRQBQXVZOJ-AWEZNQCLSA-N 0 0 405.404 4.981 50 0 HJAARN CC(C)NC(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000006870217 569160292 /nfs/dbraw/zinc/16/02/92/569160292.db2.gz BVISZANLXYYRJY-LJQANCHMSA-N 0 0 419.447 4.819 50 0 HJAARN Cc1ccc(C(=O)N2CCCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)cc1C ZINC000169755637 569160605 /nfs/dbraw/zinc/16/06/05/569160605.db2.gz PDHKLDGECKFQLR-UHFFFAOYSA-N 0 0 408.933 4.699 50 0 HJAARN CCc1c(C)nc(-c2ccc(Cl)cc2)n(CC(=O)Nc2ccc(C)cc2C)c1=O ZINC000169756924 569161228 /nfs/dbraw/zinc/16/12/28/569161228.db2.gz BXDAAXLZMMYXLX-UHFFFAOYSA-N 0 0 409.917 4.690 50 0 HJAARN CN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccc(Cl)cc2)[C@@H]1c1cccs1 ZINC000006875380 569162179 /nfs/dbraw/zinc/16/21/79/569162179.db2.gz RINUBUFRGPPDSA-UXHICEINSA-N 0 0 410.926 4.628 50 0 HJAARN CC(C)(C)NC(=O)N(Cc1ccc(F)cc1F)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000006872639 569162232 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0 biogenic HJAARN Cc1ccc(CNC(=O)Cn2c(SCc3ccc(C)cc3)nc3cccnc32)cc1 ZINC000006877820 569164788 /nfs/dbraw/zinc/16/47/88/569164788.db2.gz JBKBDRQMFMDRNO-UHFFFAOYSA-N 0 0 416.550 4.657 50 0 HJAARN CN(Cc1ccc2ccccc2c1)C(=O)CCC(=O)c1ccc2c(c1)OCCCO2 ZINC000006880025 569165295 /nfs/dbraw/zinc/16/52/95/569165295.db2.gz AFYHQCHMYQRJRD-UHFFFAOYSA-N 0 0 403.478 4.623 50 0 HJAARN Cc1nc2sc3c(c2c(N2CCC[C@H]2c2ccc4c(c2)OCCO4)n1)CCCC3 ZINC000006881458 569167856 /nfs/dbraw/zinc/16/78/56/569167856.db2.gz YETQJRDWNSVIMZ-KRWDZBQOSA-N 0 0 407.539 4.991 50 0 HJAARN C[C@@H](C(=O)Nc1cccc(Cl)c1)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000006881929 569168151 /nfs/dbraw/zinc/16/81/51/569168151.db2.gz OOVDUAQJXORCHU-NSHDSACASA-N 0 0 414.720 4.544 50 0 HJAARN CCN1CCc2nc3ccccc3c(C(=O)NCCCSc3ccccc3)c2C1 ZINC000036393628 569168427 /nfs/dbraw/zinc/16/84/27/569168427.db2.gz FDLHJFDKUVSYHK-UHFFFAOYSA-N 0 0 405.567 4.525 50 0 HJAARN O=C(COC(=O)CSc1ccc2ccccc2c1)Nc1ccc(Cl)cc1F ZINC000006886334 569169602 /nfs/dbraw/zinc/16/96/02/569169602.db2.gz PRZKHKXBAHXWPB-UHFFFAOYSA-N 0 0 403.862 4.906 50 0 HJAARN CCN(C(=O)Cc1csc2nc(-c3ccc(OC)c(OC)c3)cn12)c1ccccc1 ZINC000065079446 569171049 /nfs/dbraw/zinc/17/10/49/569171049.db2.gz AAHRZUVFVBHLHO-UHFFFAOYSA-N 0 0 421.522 4.676 50 0 HJAARN N=c1sccn1CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000006890238 569171779 /nfs/dbraw/zinc/17/17/79/569171779.db2.gz CTYGUUKYAJRQNQ-QFIPXVFZSA-N 0 0 412.518 4.560 50 0 HJAARN CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)s2)cc1 ZINC000065085453 569173806 /nfs/dbraw/zinc/17/38/06/569173806.db2.gz VRWTVSUBNDQUJJ-UHFFFAOYSA-N 0 0 421.927 4.885 50 0 HJAARN CCOc1ccc(NC(=O)c2ccc(C[S@](=O)c3ccc(Cl)cc3)o2)cc1 ZINC000006895547 569175324 /nfs/dbraw/zinc/17/53/24/569175324.db2.gz DPNRBQJNAPVMIM-HHHXNRCGSA-N 0 0 403.887 4.892 50 0 HJAARN Cc1ccccc1CNC(=O)c1ccc(C[S@@](=O)Cc2ccc(Cl)cc2)o1 ZINC000006895818 569175762 /nfs/dbraw/zinc/17/57/62/569175762.db2.gz SUMXBGCEHNYFNL-HHHXNRCGSA-N 0 0 401.915 4.620 50 0 HJAARN Cc1ccc2c(c1)c1c(c(=O)n(-c3ccccc3C)c(=O)n1Cc1cccc(C)c1)n2C ZINC000006900377 569176248 /nfs/dbraw/zinc/17/62/48/569176248.db2.gz LIKYJGOXCPVDGR-UHFFFAOYSA-N 0 0 423.516 4.618 50 0 HJAARN Cc1ccc(C(=O)N[C@@H](C(=O)N2CCCc3ccccc32)c2ccccc2)cc1F ZINC000065096824 569176459 /nfs/dbraw/zinc/17/64/59/569176459.db2.gz JXPAAYXLUXWRGY-HSZRJFAPSA-N 0 0 402.469 4.585 50 0 HJAARN CSc1ccc(Cl)c(-c2nc(-c3ccc(CNC(=O)C4CC4)s3)no2)c1 ZINC000065097033 569176564 /nfs/dbraw/zinc/17/65/64/569176564.db2.gz FVSBUINDJZTBBT-UHFFFAOYSA-N 0 0 405.932 4.867 50 0 HJAARN CCc1nc(-c2cccc(-c3noc(Cc4ccc(NC(C)=O)cc4)n3)c2)cs1 ZINC000065098193 569177052 /nfs/dbraw/zinc/17/70/52/569177052.db2.gz JQIPVGWYTFGVCE-UHFFFAOYSA-N 0 0 404.495 4.972 50 0 HJAARN C=Cc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]C[C@H]3CCCO3)c2C(=O)[O-])cc1 ZINC000006901333 569177510 /nfs/dbraw/zinc/17/75/10/569177510.db2.gz YMBCXCLBUIELOK-HXUWFJFHSA-N 0 0 404.510 4.608 50 0 HJAARN CC(=O)c1ccc(Nc2c(C(=O)N3CCCC[C@@H]3C)cnc3nc(C)ccc32)cc1 ZINC000065114514 569179178 /nfs/dbraw/zinc/17/91/78/569179178.db2.gz TVJHRUJSYHEPKE-INIZCTEOSA-N 0 0 402.498 4.899 50 0 HJAARN CC[C@H](C)NC(=O)C1CCN(C(=O)c2ccc(-n3c(C)cc4ccccc43)s2)CC1 ZINC000006914156 569179970 /nfs/dbraw/zinc/17/99/70/569179970.db2.gz DZBZNVUIJJMGSU-INIZCTEOSA-N 0 0 423.582 4.767 50 0 HJAARN O=C(CCCN1c2ccccc2Sc2ncccc2C1=O)NCCC1=CCCCC1 ZINC000006917461 569181247 /nfs/dbraw/zinc/18/12/47/569181247.db2.gz AGEUDWUPCJFXIY-UHFFFAOYSA-N 0 0 421.566 4.980 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)CSc1cc(N2C[C@@H](C)C[C@H](C)C2)ncn1 ZINC000065133365 569183028 /nfs/dbraw/zinc/18/30/28/569183028.db2.gz ALZFFJHOGCKZRR-KBPBESRZSA-N 0 0 404.967 4.652 50 0 HJAARN Cc1ccc(-c2nc(C)cc(OCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1 ZINC000065133846 569183063 /nfs/dbraw/zinc/18/30/63/569183063.db2.gz XNWBCXQYCIYGGL-UHFFFAOYSA-N 0 0 401.388 4.797 50 0 HJAARN Cc1cc(OCC(=O)Nc2ccc(F)c(C)c2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000065134037 569183095 /nfs/dbraw/zinc/18/30/95/569183095.db2.gz YXTMRHZGHGRZOP-UHFFFAOYSA-N 0 0 419.378 4.936 50 0 HJAARN Cc1ccc(NC(=O)N2CCC[C@H](CCC(=O)NCc3cc(F)cc(F)c3)C2)cc1 ZINC000065136231 569183315 /nfs/dbraw/zinc/18/33/15/569183315.db2.gz LHAQBZVJHASNKO-QGZVFWFLSA-N 0 0 415.484 4.614 50 0 HJAARN Cc1cccc(NC(=O)N2CCC[C@@H](CCC(=O)NCc3ccc(Cl)cc3)C2)c1 ZINC000065136525 569183403 /nfs/dbraw/zinc/18/34/03/569183403.db2.gz SJIJPJJYQJOGDU-IBGZPJMESA-N 0 0 413.949 4.989 50 0 HJAARN CC(C)n1c(=O)oc2cc(-c3noc(-c4cccc(Br)c4)n3)ccc21 ZINC000065138341 569183757 /nfs/dbraw/zinc/18/37/57/569183757.db2.gz CYIQLBHMXIVSHO-UHFFFAOYSA-N 0 0 400.232 4.655 50 0 HJAARN COc1ccc(Br)c(C(=O)O[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000006931564 569184342 /nfs/dbraw/zinc/18/43/42/569184342.db2.gz ORVOMJCEAPQRBF-CQSZACIVSA-N 0 0 420.303 4.567 50 0 HJAARN CCn1cc2c3c1cccc3CN(C(=O)Nc1cc(Cl)c(OC)cc1OC)CC2 ZINC000065148982 569184446 /nfs/dbraw/zinc/18/44/46/569184446.db2.gz WFYIGVVCVUKMCV-UHFFFAOYSA-N 0 0 413.905 4.922 50 0 HJAARN COCCn1cc2c3c1cccc3CN(C(=O)Nc1ccccc1C(F)(F)F)CC2 ZINC000065148896 569184504 /nfs/dbraw/zinc/18/45/04/569184504.db2.gz SLCCYQNNDPZIJW-UHFFFAOYSA-N 0 0 417.431 4.897 50 0 HJAARN COc1ccccc1-c1nc([C@H]2CCCN(C(=O)c3ccc(C(C)C)cc3)C2)no1 ZINC000065149501 569184600 /nfs/dbraw/zinc/18/46/00/569184600.db2.gz DNXAPSKSBKGLFU-IBGZPJMESA-N 0 0 405.498 4.888 50 0 HJAARN CC(=O)c1cccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2-n2cccc2)c1 ZINC000006940107 569185555 /nfs/dbraw/zinc/18/55/55/569185555.db2.gz KAKYPDIUBQQKTG-UHFFFAOYSA-N 0 0 402.429 4.565 50 0 HJAARN Cc1cc(C)c(C(=O)Nc2ccccc2)c(SCC(=O)Nc2ccc(F)cc2)n1 ZINC000006935625 569186237 /nfs/dbraw/zinc/18/62/37/569186237.db2.gz KUYMGPOMZRAVGN-UHFFFAOYSA-N 0 0 409.486 4.821 50 0 HJAARN CCOc1ccccc1NC(=O)N1CCc2nc(-c3ccc(Cl)cc3)ncc2C1 ZINC000065168881 569188958 /nfs/dbraw/zinc/18/89/58/569188958.db2.gz YIPVDJSOWKEMGC-UHFFFAOYSA-N 0 0 408.889 4.786 50 0 HJAARN CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)C2CC2)cc1N1CCCCCC1 ZINC000065165999 569189743 /nfs/dbraw/zinc/18/97/43/569189743.db2.gz UJWCPUQIFMBRMX-UHFFFAOYSA-N 0 0 405.542 4.688 50 0 HJAARN CCCn1c(-c2cccc(C(=O)NCc3cc(F)cc(F)c3)c2)nc2cccnc21 ZINC000065172817 569189983 /nfs/dbraw/zinc/18/99/83/569189983.db2.gz LVIXBUBOYOLMHG-UHFFFAOYSA-N 0 0 406.436 4.717 50 0 HJAARN Cc1cc(-c2nnc(-c3cccs3)o2)c(C)n1CC(=O)NCc1ccc(C)cc1 ZINC000065194850 569192897 /nfs/dbraw/zinc/19/28/97/569192897.db2.gz QCYGIKVWUZIXCA-UHFFFAOYSA-N 0 0 406.511 4.508 50 0 HJAARN Cc1ccc(C)c(C(=O)N[C@H](Cc2ccccc2)c2nnc(N3CCCCCC3)o2)c1 ZINC000065209246 569195309 /nfs/dbraw/zinc/19/53/09/569195309.db2.gz ASYYBZNTGAYYDK-JOCHJYFZSA-N 0 0 418.541 4.781 50 0 HJAARN O=C(c1cc2c(s1)CCCCCC2)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000006987447 569195879 /nfs/dbraw/zinc/19/58/79/569195879.db2.gz GBRCXUUYYHPPPY-UHFFFAOYSA-N 0 0 402.604 4.662 50 0 HJAARN CCCn1cc(C2=CCN(C(=O)Nc3ccc4c(c3)OCCO4)CC2)c2cccnc21 ZINC000065211817 569197074 /nfs/dbraw/zinc/19/70/74/569197074.db2.gz JTKZIBYTOFCNFD-UHFFFAOYSA-N 0 0 418.497 4.539 50 0 HJAARN COc1ccc(C(=O)Nc2ccsc2-c2nc(-c3ccccc3)no2)c(OC)c1 ZINC000065218769 569197532 /nfs/dbraw/zinc/19/75/32/569197532.db2.gz GTUCDJSRDZBTSA-UHFFFAOYSA-N 0 0 407.451 4.735 50 0 HJAARN COc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(C)cc2)cc1OC ZINC000007003944 569198329 /nfs/dbraw/zinc/19/83/29/569198329.db2.gz ZPFZTYPBXNJEAF-UHFFFAOYSA-N 0 0 416.481 4.615 50 0 HJAARN COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)Nc1ccc(F)cc1Cl ZINC000007005298 569198568 /nfs/dbraw/zinc/19/85/68/569198568.db2.gz HTQLVZMOAYHHFT-UHFFFAOYSA-N 0 0 410.854 4.560 50 0 HJAARN COc1cc(NC(=O)c2ccco2)c(C(=O)OCc2cccc(Cl)c2)cc1OC ZINC000007005472 569198627 /nfs/dbraw/zinc/19/86/27/569198627.db2.gz APNOABPIYXUUEN-UHFFFAOYSA-N 0 0 415.829 4.560 50 0 HJAARN Cc1ccc(-c2cc3n(n2)CCCN(C(=O)Cc2cccc(C(F)(F)F)c2)C3)cc1 ZINC000065225211 569199546 /nfs/dbraw/zinc/19/95/46/569199546.db2.gz JGUVXEGRCZBRSI-UHFFFAOYSA-N 0 0 413.443 4.852 50 0 HJAARN O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000036592860 569204295 /nfs/dbraw/zinc/20/42/95/569204295.db2.gz ABMCLFACQJFXDU-OAQYLSRUSA-N 0 0 415.449 4.598 50 0 HJAARN Cc1nc(-c2noc(-c3cccc(C)c3)n2)cn1CC(=O)Nc1cccc(Cl)c1 ZINC000065250464 569206196 /nfs/dbraw/zinc/20/61/96/569206196.db2.gz XWHFHRGIWMOQOK-UHFFFAOYSA-N 0 0 407.861 4.509 50 0 HJAARN COc1ccc(OC)c(CNc2c(-c3nc(C(C)C)no3)cnc3nc(C)ccc32)c1 ZINC000065250647 569206323 /nfs/dbraw/zinc/20/63/23/569206323.db2.gz CYBSTSUQBIZKTH-UHFFFAOYSA-N 0 0 419.485 4.741 50 0 HJAARN COc1cccc(-c2cc(C(=O)Nc3ccc(C)c(F)c3)c3c(C)nn(C)c3n2)c1 ZINC000036616178 569207228 /nfs/dbraw/zinc/20/72/28/569207228.db2.gz BQPFVGLEENGGFK-UHFFFAOYSA-N 0 0 404.445 4.652 50 0 HJAARN COc1ccccc1Oc1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C)cc1 ZINC000036616086 569207231 /nfs/dbraw/zinc/20/72/31/569207231.db2.gz PJVGCGMZARDLQE-UHFFFAOYSA-N 0 0 414.465 4.899 50 0 HJAARN C[C@H](CCc1ccco1)NC(=O)c1cc(C2CC2)nc2c1cnn2-c1ccccc1F ZINC000036616032 569207237 /nfs/dbraw/zinc/20/72/37/569207237.db2.gz SUAXTQKNCGYXLB-OAHLLOKOSA-N 0 0 418.472 4.781 50 0 HJAARN COc1ccc(C)cc1NC(=O)c1cc(C)nc2c1c(C)nn2Cc1ccccc1 ZINC000036616996 569207941 /nfs/dbraw/zinc/20/79/41/569207941.db2.gz NBGPSPSDSASTDF-UHFFFAOYSA-N 0 0 400.482 4.666 50 0 HJAARN Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccn(Cc4ccc(C)cc4)n3)c12 ZINC000036617495 569208585 /nfs/dbraw/zinc/20/85/85/569208585.db2.gz UANJACMYVKGRMZ-UHFFFAOYSA-N 0 0 413.437 4.597 50 0 HJAARN Cn1cc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c(-c3cnn(C)c3)c2Cl)cn1 ZINC000036611561 569208793 /nfs/dbraw/zinc/20/87/93/569208793.db2.gz RFTWKQJKFLYEPQ-UHFFFAOYSA-N 0 0 421.719 4.693 50 0 HJAARN CCn1ccc(-c2cc(C(=O)N3CCCCCC3)c3c(n2)onc3-c2ccccc2)n1 ZINC000036618404 569210008 /nfs/dbraw/zinc/21/00/08/569210008.db2.gz HZRKHMAAZDFKRK-UHFFFAOYSA-N 0 0 415.497 4.789 50 0 HJAARN CCn1ncc(NC(=O)c2cc(C3CC3)nc3onc(-c4cccc(OC)c4)c32)c1C ZINC000036618999 569210458 /nfs/dbraw/zinc/21/04/58/569210458.db2.gz BRERMBUCACNJMC-UHFFFAOYSA-N 0 0 417.469 4.553 50 0 HJAARN Oc1cc2c(cc1-c1c3cc4c(cc3oc1-c1ccc3c(c1)OCO3)OCO4)OCO2 ZINC000524731315 569212294 /nfs/dbraw/zinc/21/22/94/569212294.db2.gz SFLHMBLWQQGWFM-UHFFFAOYSA-N 0 0 418.357 4.659 50 0 biogenic HJAARN C[C@@H](NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc21)c1cccs1 ZINC000007061354 569215347 /nfs/dbraw/zinc/21/53/47/569215347.db2.gz AHKHQGUXXWKDKZ-CQSZACIVSA-N 0 0 406.463 4.591 50 0 HJAARN O=C(Nc1ccc(N2CCN(Cc3ccccc3)C2=O)nc1)c1cc(Cl)ccc1F ZINC000065272376 569215704 /nfs/dbraw/zinc/21/57/04/569215704.db2.gz QAZOAOQMNXDKMD-UHFFFAOYSA-N 0 0 424.863 4.569 50 0 HJAARN CC(C)Sc1cccc(-c2nnc(NC(=O)/C=C/c3ccc4c(c3)OCO4)o2)c1 ZINC000036652638 569216636 /nfs/dbraw/zinc/21/66/36/569216636.db2.gz ZIFBNZRCRDYPIO-VQHVLOKHSA-N 0 0 409.467 4.618 50 0 HJAARN O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000036660916 569217324 /nfs/dbraw/zinc/21/73/24/569217324.db2.gz WSQWAZGYWRDBBY-KRWDZBQOSA-N 0 0 406.482 4.648 50 0 HJAARN CCN(CC)C(=O)[C@H](Sc1nnc(-c2cccs2)n1CC)c1ccccc1 ZINC000007085006 569217482 /nfs/dbraw/zinc/21/74/82/569217482.db2.gz XGIGYVIQLAROCM-QGZVFWFLSA-N 0 0 400.573 4.728 50 0 HJAARN Cc1oc2c(c1C(=O)N1CCC[C@H]1c1cccnc1)CN(Cc1ccc(F)cc1)CC2 ZINC000065291968 569217736 /nfs/dbraw/zinc/21/77/36/569217736.db2.gz GLFSNRFQYZGGPS-QFIPXVFZSA-N 0 0 419.500 4.658 50 0 HJAARN CCOc1cc2c(cc1[C@H]1Nc3ccccc3C(=O)N1Cc1ccco1)O[C@@H](C)C2 ZINC000007112961 569221652 /nfs/dbraw/zinc/22/16/52/569221652.db2.gz HCFKAGUULIOCIM-WNSKOXEYSA-N 0 0 404.466 4.768 50 0 HJAARN O=C1c2ccccc2N[C@H](c2cc(Cl)c3c(c2)OCCCO3)N1Cc1ccco1 ZINC000007113060 569221663 /nfs/dbraw/zinc/22/16/63/569221663.db2.gz YCMKPUHQOSNXDU-NRFANRHFSA-N 0 0 410.857 4.861 50 0 HJAARN Cc1cccc(NC(=O)c2ccc(N3CCCN(Cc4ccc(F)cc4)C3=O)cc2)n1 ZINC000065315043 569223373 /nfs/dbraw/zinc/22/33/73/569223373.db2.gz USGDOCWYSNAZLT-UHFFFAOYSA-N 0 0 418.472 4.614 50 0 HJAARN CCN1c2ccc(C(=O)Nc3ccccc3SC)cc2-c2ccccc2S1(=O)=O ZINC000065315074 569223515 /nfs/dbraw/zinc/22/35/15/569223515.db2.gz KEPIREFQYMMRPN-UHFFFAOYSA-N 0 0 424.547 4.856 50 0 HJAARN COc1ccc(CC(=O)N2CCC[C@@H]2c2nc(-c3ccc(C)cc3)no2)cc1Cl ZINC000065320299 569223681 /nfs/dbraw/zinc/22/36/81/569223681.db2.gz JJCIMLRCPLKWRI-GOSISDBHSA-N 0 0 411.889 4.613 50 0 HJAARN Cc1ccccc1-c1noc([C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2C)n1 ZINC000065320778 569223806 /nfs/dbraw/zinc/22/38/06/569223806.db2.gz VXXIBPUDGHPEIR-QGZVFWFLSA-N 0 0 417.918 4.533 50 0 HJAARN COc1ccccc1-c1noc(COC(=O)c2ccccc2Oc2ccccc2)n1 ZINC000007129065 569224422 /nfs/dbraw/zinc/22/44/22/569224422.db2.gz ZJXGPYVMKWJHNA-UHFFFAOYSA-N 0 0 402.406 4.895 50 0 HJAARN C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@H](c1ccccc1)c1ccccn1 ZINC000036714899 569224646 /nfs/dbraw/zinc/22/46/46/569224646.db2.gz VWQAONUIKMZWIX-MGPUTAFESA-N 0 0 411.299 4.517 50 0 HJAARN O=c1cc(-c2cccc(Cl)c2)nc(SCc2nc(-c3ccccc3F)no2)[nH]1 ZINC000065330949 569225105 /nfs/dbraw/zinc/22/51/05/569225105.db2.gz QGBBJUOUUHABBE-UHFFFAOYSA-N 0 0 414.849 4.984 50 0 HJAARN CCCOc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2ccc(Cl)cc2)cc1OC ZINC000065331301 569225210 /nfs/dbraw/zinc/22/52/10/569225210.db2.gz GDLVPYBMZZVYTI-QGZVFWFLSA-N 0 0 411.889 4.797 50 0 HJAARN COc1ccc2nc3oc(C(=O)N4CCN(c5ccc(C)cc5C)CC4)cc3cc2c1 ZINC000065331040 569225249 /nfs/dbraw/zinc/22/52/49/569225249.db2.gz SVHKMMUEGOSNSD-UHFFFAOYSA-N 0 0 415.493 4.569 50 0 HJAARN O=C(CSc1nnc(Nc2ccccc2)s1)Nc1ccc(N2CCCC2)cc1 ZINC000007205988 569228793 /nfs/dbraw/zinc/22/87/93/569228793.db2.gz UGVUOUXEDHZDRX-UHFFFAOYSA-N 0 0 411.556 4.613 50 0 HJAARN Cc1nn(CCNC(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1-c1ccccc1 ZINC000238953548 569228905 /nfs/dbraw/zinc/22/89/05/569228905.db2.gz XLHFJEAJFUAQCJ-UHFFFAOYSA-N 0 0 402.420 5.007 50 0 HJAARN Cc1ccc(Sc2ccc(N[C@H](C)C(=O)Nc3ccc(C(N)=O)cc3)cc2)c(C)c1 ZINC000007243487 569229865 /nfs/dbraw/zinc/22/98/65/569229865.db2.gz IDTSXPBKPXISDH-QGZVFWFLSA-N 0 0 419.550 4.993 50 0 HJAARN COc1ccc(C(C)=O)cc1CSc1nnc(COc2ccc(Cl)cc2)n1C ZINC000007236227 569230117 /nfs/dbraw/zinc/23/01/17/569230117.db2.gz DSRWSFDKCYSBRR-UHFFFAOYSA-N 0 0 417.918 4.551 50 0 HJAARN Cn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1F ZINC000007235896 569230118 /nfs/dbraw/zinc/23/01/18/569230118.db2.gz UFYLPSIXCRQPCD-UHFFFAOYSA-N 0 0 411.289 4.659 50 0 HJAARN CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nc(-c2ccccc2)cs1 ZINC000007288492 569232129 /nfs/dbraw/zinc/23/21/29/569232129.db2.gz FPIHBCPLXJIUSD-UHFFFAOYSA-N 0 0 412.536 4.680 50 0 HJAARN CCOc1ccc(-c2nc(CN3c4ccccc4[C@@H](C(N)=O)C[C@@H]3C)cs2)cc1 ZINC000065492763 569232346 /nfs/dbraw/zinc/23/23/46/569232346.db2.gz JKENDNPRRLVPKG-YWZLYKJASA-N 0 0 407.539 4.577 50 0 HJAARN O=c1c(Cl)c(NCc2ccc(Oc3ccc(F)cc3)nc2)cnn1-c1ccccc1 ZINC000065493263 569232403 /nfs/dbraw/zinc/23/24/03/569232403.db2.gz HATAPZMNMCCIRS-UHFFFAOYSA-N 0 0 422.847 4.824 50 0 HJAARN O=C(/C=C/c1ccc(-c2ccccc2)s1)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000065520905 569233542 /nfs/dbraw/zinc/23/35/42/569233542.db2.gz LYRDBTKQHLOZKH-ZISLFAKRSA-N 0 0 402.519 4.518 50 0 HJAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000007329478 569233797 /nfs/dbraw/zinc/23/37/97/569233797.db2.gz PTPRABSHDNQHCT-MSOLQXFVSA-N 0 0 422.554 4.658 50 0 HJAARN Cc1ccc(-c2csc3ncn(Cc4nc(-c5ccccc5C)no4)c(=O)c23)cc1 ZINC000007375507 569234242 /nfs/dbraw/zinc/23/42/42/569234242.db2.gz XHPQXILMMXIQLG-UHFFFAOYSA-N 0 0 414.490 4.840 50 0 HJAARN O=C(CN1CCC[C@H]1c1nc2ccccc2s1)N1CC=C(c2ccccc2)CC1 ZINC000007359881 569235029 /nfs/dbraw/zinc/23/50/29/569235029.db2.gz PFBHJRKGIJALSK-NRFANRHFSA-N 0 0 403.551 4.749 50 0 HJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)COc1cccc(C)c1)CC2 ZINC000007408692 569237069 /nfs/dbraw/zinc/23/70/69/569237069.db2.gz RTJNLEHSVMIOIS-XMMPIXPASA-N 0 0 423.534 4.627 50 0 HJAARN CCc1nc2ccccc2c(C)c1C(=O)OCC(=O)N(C)Cc1ccc(Cl)s1 ZINC000037132669 569238706 /nfs/dbraw/zinc/23/87/06/569238706.db2.gz LDAWRSMBOXJGSU-UHFFFAOYSA-N 0 0 416.930 4.636 50 0 HJAARN Cc1nc(C)c(-c2nnc(SCc3nnc(-c4ccc(Cl)cc4)o3)o2)s1 ZINC000037163347 569239369 /nfs/dbraw/zinc/23/93/69/569239369.db2.gz ZEJJRMGMYFGOCA-UHFFFAOYSA-N 0 0 405.892 4.806 50 0 HJAARN O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000007450056 569239394 /nfs/dbraw/zinc/23/93/94/569239394.db2.gz FKAMGZQBPHNBKX-UHFFFAOYSA-N 0 0 414.933 4.855 50 0 HJAARN Cc1nn(C)c(Sc2ccccc2)c1C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000170596748 569241787 /nfs/dbraw/zinc/24/17/87/569241787.db2.gz SCXFXWZKQKTBEA-UHFFFAOYSA-N 0 0 413.453 4.946 50 0 HJAARN CC(C)=C[C@H]1[C@@H](C(=O)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)C1(C)C ZINC000170604457 569243953 /nfs/dbraw/zinc/24/39/53/569243953.db2.gz MCBJBFHNCUKGSL-OALUTQOASA-N 0 0 403.954 4.645 50 0 HJAARN CCN(Cc1ccc2[nH]ccc2c1)C(=O)c1ccc(F)cc1NC(=O)c1ccoc1 ZINC000170605760 569244234 /nfs/dbraw/zinc/24/42/34/569244234.db2.gz FFIVQJNBPYRGLS-UHFFFAOYSA-N 0 0 405.429 4.815 50 0 HJAARN Cc1cccc(CN(C(=O)C2CCCC2)c2ccc(CC(=O)N3CCCC3)cc2)c1 ZINC000037279446 569246098 /nfs/dbraw/zinc/24/60/98/569246098.db2.gz GFLPMAMGMCRLCM-UHFFFAOYSA-N 0 0 404.554 4.883 50 0 HJAARN CCC(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1cc2cccc(OC)c2nc1Cl ZINC000170612685 569246439 /nfs/dbraw/zinc/24/64/39/569246439.db2.gz YUSVHNINQPZRCD-IBGZPJMESA-N 0 0 423.900 4.993 50 0 HJAARN COc1cc2cc([C@H]3CC(c4cccs4)=NN3C(C)=O)c(Cl)nc2c(OC)c1 ZINC000170612556 569246551 /nfs/dbraw/zinc/24/65/51/569246551.db2.gz DACWEENEDPPQQT-MRXNPFEDSA-N 0 0 415.902 4.665 50 0 HJAARN COc1ccccc1-c1noc([C@@H](c2cccc(Br)c2)N2CCCC2)n1 ZINC000170615926 569247333 /nfs/dbraw/zinc/24/73/33/569247333.db2.gz DSFUJXBBIZPIPI-GOSISDBHSA-N 0 0 414.303 4.693 50 0 HJAARN Cc1cc(CSc2ncccc2C(=O)O[C@H]2CCc3c2cc(F)cc3F)no1 ZINC000170616668 569247661 /nfs/dbraw/zinc/24/76/61/569247661.db2.gz YUHWARHDQYVMGP-SFHVURJKSA-N 0 0 402.422 4.793 50 0 HJAARN C[C@@H](CO)NC(=O)c1ccc(NCc2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000170616143 569247732 /nfs/dbraw/zinc/24/77/32/569247732.db2.gz KOHCDVWRLPEIIK-ZDUSSCGKSA-N 0 0 419.308 4.976 50 0 HJAARN O=C1C[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CN1c1ccc(F)cc1 ZINC000007544815 569248695 /nfs/dbraw/zinc/24/86/95/569248695.db2.gz UTYYYTAWBNIOHG-QGZVFWFLSA-N 0 0 403.432 4.883 50 0 HJAARN C[C@H](NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2)c1nc(C(C)(C)C)cs1 ZINC000170622296 569249222 /nfs/dbraw/zinc/24/92/22/569249222.db2.gz PMBULZZTOCDHHA-DZGCQCFKSA-N 0 0 401.532 4.777 50 0 HJAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCn1ccc2ccc(Cl)cc21)CC3 ZINC000170625250 569250115 /nfs/dbraw/zinc/25/01/15/569250115.db2.gz DORDWWPRDKDXAC-UHFFFAOYSA-N 0 0 407.901 4.760 50 0 biogenic HJAARN CC(C)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000013235567 569251108 /nfs/dbraw/zinc/25/11/08/569251108.db2.gz SUACDEUZPIEBSW-UHFFFAOYSA-N 0 0 414.615 4.614 50 0 HJAARN CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)N3[C@H](C)CCC[C@@H]3C)o2)cc1 ZINC000009909518 569251595 /nfs/dbraw/zinc/25/15/95/569251595.db2.gz BODJKDPEMNQPHP-IXDOHACOSA-N 0 0 416.591 4.853 50 0 HJAARN O=C(CSc1nnc(-c2ccco2)o1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000009910531 569251733 /nfs/dbraw/zinc/25/17/33/569251733.db2.gz QFVVFGBHVAVOQY-SFHVURJKSA-N 0 0 405.479 4.522 50 0 HJAARN Cc1nnc(S[C@@H](C)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)n1C1CC1 ZINC000009954670 569252579 /nfs/dbraw/zinc/25/25/79/569252579.db2.gz GGNRRBBBYGBHJF-AWEZNQCLSA-N 0 0 424.574 4.524 50 0 HJAARN COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1NC(=O)c1ccc(C)cc1 ZINC000010059475 569253035 /nfs/dbraw/zinc/25/30/35/569253035.db2.gz UUAFZCOMWUCDIO-UHFFFAOYSA-N 0 0 424.522 4.674 50 0 HJAARN COc1ccccc1[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2ccc(C)cc2)c2ncnn21 ZINC000010060383 569253120 /nfs/dbraw/zinc/25/31/20/569253120.db2.gz TUOQOYOPYCEZCS-PKTZIBPZSA-N 0 0 424.504 4.976 50 0 HJAARN COc1ccc([C@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)c2cccc(C)c2)cc1 ZINC000010060295 569253130 /nfs/dbraw/zinc/25/31/30/569253130.db2.gz CKBIRYADFKQQJG-RPWUZVMVSA-N 0 0 424.504 4.976 50 0 HJAARN COc1ccccc1[C@@H]1C[C@H](c2ccc(C)cc2)N(C(=O)c2ccccc2)c2ncnn21 ZINC000010060418 569253181 /nfs/dbraw/zinc/25/31/81/569253181.db2.gz VTYRYLZGKFKOIT-PKTZIBPZSA-N 0 0 424.504 4.976 50 0 HJAARN COc1ccccc1[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2cccc(C)c2)c2ncnn21 ZINC000010060405 569253209 /nfs/dbraw/zinc/25/32/09/569253209.db2.gz LHPTXKOBYJDALC-GOTSBHOMSA-N 0 0 424.504 4.976 50 0 HJAARN COc1ccccc1[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccc(C)cc2)c2ncnn21 ZINC000010060385 569253258 /nfs/dbraw/zinc/25/32/58/569253258.db2.gz TUOQOYOPYCEZCS-GOTSBHOMSA-N 0 0 424.504 4.976 50 0 HJAARN O=c1nc(SCc2ccc(C(F)(F)F)cc2)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000010255552 569254181 /nfs/dbraw/zinc/25/41/81/569254181.db2.gz GAUICXRBYBLAID-MRXNPFEDSA-N 0 0 424.488 4.612 50 0 HJAARN COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000071794064 569254415 /nfs/dbraw/zinc/25/44/15/569254415.db2.gz QYUCAMBOGOAFBE-WMLDXEAASA-N 0 0 407.436 4.695 50 0 HJAARN COc1ccc(CNC(=O)CCCCCNc2[nH]c(=S)nc3ccccc32)cc1 ZINC000013496854 569255691 /nfs/dbraw/zinc/25/56/91/569255691.db2.gz XFZULAAKMPJGHT-UHFFFAOYSA-N 0 0 410.543 4.590 50 0 HJAARN CN(Cc1ccccc1)C(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000013579472 569256449 /nfs/dbraw/zinc/25/64/49/569256449.db2.gz MIMIFRCFYPFDAQ-JLPGSUDCSA-N 0 0 409.489 4.597 50 0 HJAARN C[C@@H](Cc1ccccc1)NC(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000013579413 569256471 /nfs/dbraw/zinc/25/64/71/569256471.db2.gz WRGCGCQMOYFOBU-CXTZRUPXSA-N 0 0 423.516 4.686 50 0 HJAARN C[C@H](Cc1ccccc1)NC(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000013579415 569256493 /nfs/dbraw/zinc/25/64/93/569256493.db2.gz WRGCGCQMOYFOBU-DWGAWOTKSA-N 0 0 423.516 4.686 50 0 HJAARN C[C@@H](NC(=O)Cc1csc(SCC(=O)c2cccs2)n1)c1ccccc1 ZINC000013654038 569256829 /nfs/dbraw/zinc/25/68/29/569256829.db2.gz PKFRZGDYJLSIRV-CYBMUJFWSA-N 0 0 402.566 4.600 50 0 HJAARN O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CC2)c1cc(Br)ccc1Cl ZINC000013695873 569257218 /nfs/dbraw/zinc/25/72/18/569257218.db2.gz VRWADDABPIBXCS-UHFFFAOYSA-N 0 0 419.706 4.654 50 0 HJAARN CCOc1cc(C(=O)N2CC=C(c3ccccc3)CC2)cc(Br)c1OC ZINC000014285734 569259288 /nfs/dbraw/zinc/25/92/88/569259288.db2.gz XCVALKJIFIQZNK-UHFFFAOYSA-N 0 0 416.315 4.786 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000014429963 569260024 /nfs/dbraw/zinc/26/00/24/569260024.db2.gz ARPGSUONFQGNQP-AWEZNQCLSA-N 0 0 410.823 4.850 50 0 HJAARN COc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2ccccc2)cc1 ZINC000014609818 569260738 /nfs/dbraw/zinc/26/07/38/569260738.db2.gz LUVLXODNIIHATO-UHFFFAOYSA-N 0 0 404.857 4.849 50 0 HJAARN Cc1ccc2cccc(C(=O)NC3(c4noc([C@H]5CCCO5)n4)CCCCCC3)c2n1 ZINC000089665950 569262245 /nfs/dbraw/zinc/26/22/45/569262245.db2.gz CAXDIGUSGHQRJA-LJQANCHMSA-N 0 0 420.513 4.757 50 0 HJAARN O=c1c2sccc2nc(SCc2nc(-c3ccc(Cl)cc3)no2)n1C1CC1 ZINC000016843585 569264892 /nfs/dbraw/zinc/26/48/92/569264892.db2.gz YPXCNWDUGRICQF-UHFFFAOYSA-N 0 0 416.915 4.789 50 0 HJAARN C[C@@H](CCc1ccccc1)NC(=O)CCc1csc(NC(=O)Nc2ccccc2)n1 ZINC000016849043 569265553 /nfs/dbraw/zinc/26/55/53/569265553.db2.gz XHXSWGPZALWYLV-KRWDZBQOSA-N 0 0 422.554 4.857 50 0 HJAARN CC(C)c1noc(-c2ccc(NC(=O)C3(OCc4ccccc4)CCOCC3)cc2)n1 ZINC000089893686 569267860 /nfs/dbraw/zinc/26/78/60/569267860.db2.gz GYADPPQKVXHBER-UHFFFAOYSA-N 0 0 421.497 4.565 50 0 HJAARN COc1ccc(-c2nc(CCNC(=O)c3ccccc3Br)cs2)cc1 ZINC000016954795 569268570 /nfs/dbraw/zinc/26/85/70/569268570.db2.gz PLWHGEOQQQXVTI-UHFFFAOYSA-N 0 0 417.328 4.554 50 0 HJAARN COc1ccc(C(=O)Nc2nc(CC(=O)Nc3c(C)cc(C)cc3C)cs2)cc1 ZINC000016994101 569270725 /nfs/dbraw/zinc/27/07/25/569270725.db2.gz WFEHLSDBLCNAPG-UHFFFAOYSA-N 0 0 409.511 4.510 50 0 HJAARN Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)n1 ZINC000017013307 569271711 /nfs/dbraw/zinc/27/17/11/569271711.db2.gz OOPFHAGCFXVJQR-UHFFFAOYSA-N 0 0 415.419 4.866 50 0 HJAARN Cc1ccc(-c2nc3n(c2CNC(=O)c2c(F)cccc2Cl)CCS3)cc1 ZINC000017051214 569272547 /nfs/dbraw/zinc/27/25/47/569272547.db2.gz RTIFFKMZDSFDSA-UHFFFAOYSA-N 0 0 401.894 4.687 50 0 HJAARN Cc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1F ZINC000017121077 569275140 /nfs/dbraw/zinc/27/51/40/569275140.db2.gz UFRQKQBAIHXYHR-UHFFFAOYSA-N 0 0 403.866 4.678 50 0 HJAARN Cc1cccc(-c2nc3n(n2)[C@@H](c2ccccc2)C(C(=O)Nc2cccnc2)=C(C)N3)c1 ZINC000017135539 569275366 /nfs/dbraw/zinc/27/53/66/569275366.db2.gz IKNVPFSIVRVUQL-QFIPXVFZSA-N 0 0 422.492 4.576 50 0 HJAARN O=C(NCc1c(-c2ccc(F)cc2)nc2n1CCS2)c1ccc(C(F)(F)F)cc1 ZINC000017156476 569275931 /nfs/dbraw/zinc/27/59/31/569275931.db2.gz IBKUOOIMEPYKIO-UHFFFAOYSA-N 0 0 421.419 4.744 50 0 HJAARN COc1ccc(Nc2nc(N3CCC(C)CC3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017246115 569276717 /nfs/dbraw/zinc/27/67/17/569276717.db2.gz ZCEQOAAMEUBXHQ-UHFFFAOYSA-N 0 0 414.513 4.804 50 0 HJAARN COc1ccccc1-c1nc(NC2CCCC2)nc2nn(-c3cccc(F)c3)c(N)c21 ZINC000037358740 569276967 /nfs/dbraw/zinc/27/69/67/569276967.db2.gz KKVCASGKZIVXCH-UHFFFAOYSA-N 0 0 418.476 4.567 50 0 HJAARN Cc1cc(Cl)ccc1NC(=O)COc1ccc(C(=O)NCCc2ccccc2)cc1 ZINC000000954914 569277012 /nfs/dbraw/zinc/27/70/12/569277012.db2.gz VCSNNDAPPRRTFJ-UHFFFAOYSA-N 0 0 422.912 4.638 50 0 HJAARN Cc1ccc(N2CCN(C(=S)Nc3ccc(Br)cc3)CC2)c(C)c1 ZINC000001076524 569277246 /nfs/dbraw/zinc/27/72/46/569277246.db2.gz OGQCFEYOIMKXKU-UHFFFAOYSA-N 0 0 404.377 4.585 50 0 HJAARN Cc1cc(OC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)c2c(C)cc(=O)oc2c1 ZINC000002092213 569280444 /nfs/dbraw/zinc/28/04/44/569280444.db2.gz LUTWLQPXRMVMTL-OAQYLSRUSA-N 0 0 423.465 4.581 50 0 biogenic HJAARN Cc1c(C(=O)COc2ccc3c(c2)oc(=O)c2c3CCCC2)c2ccccc2n1C ZINC000002094788 569280815 /nfs/dbraw/zinc/28/08/15/569280815.db2.gz RXVLWKABOYRLDI-UHFFFAOYSA-N 0 0 401.462 4.734 50 0 biogenic HJAARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(c3cc(C)cc(C)c3)[C@H]21 ZINC000002094979 569280871 /nfs/dbraw/zinc/28/08/71/569280871.db2.gz QVZFMJZZEOVFGY-QHCPKHFHSA-N 0 0 414.461 4.640 50 0 biogenic HJAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1c2ccccc2N(C)CC[C@@H]1C ZINC000170639158 569281227 /nfs/dbraw/zinc/28/12/27/569281227.db2.gz IUBIKDCNKJWJJQ-HNNXBMFYSA-N 0 0 409.511 4.777 50 0 HJAARN O=C(NCC1(c2ccc(Cl)cc2)CCCC1)c1nc(N2CCCC2)ncc1Cl ZINC000065767546 569281350 /nfs/dbraw/zinc/28/13/50/569281350.db2.gz VDDOGMNWFZNSHZ-UHFFFAOYSA-N 0 0 419.356 4.625 50 0 HJAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Br)o2)cc1 ZINC000000851200 569281745 /nfs/dbraw/zinc/28/17/45/569281745.db2.gz FDLVLPJLHHXXDD-UHFFFAOYSA-N 0 0 404.289 4.538 50 0 HJAARN O=C(c1ncoc1-c1ccccc1Cl)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000170640290 569282193 /nfs/dbraw/zinc/28/21/93/569282193.db2.gz KVPUATOPDCZODP-UHFFFAOYSA-N 0 0 412.717 4.952 50 0 HJAARN CCc1cccc(C)c1NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1CC ZINC000002522910 569282838 /nfs/dbraw/zinc/28/28/38/569282838.db2.gz VLRZSPLSJJYZBA-UHFFFAOYSA-N 0 0 415.584 4.696 50 0 HJAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000239432920 569283918 /nfs/dbraw/zinc/28/39/18/569283918.db2.gz WXDUNGYJXQGYNK-BWKNWUBXSA-N 0 0 416.477 4.955 50 0 HJAARN CCCOC(=O)c1ccc(N2COc3c(C)c4oc(=O)c(C)c(C)c4cc3C2)cc1 ZINC000002119546 569284883 /nfs/dbraw/zinc/28/48/83/569284883.db2.gz FLOZBOFIMZBDJE-UHFFFAOYSA-N 0 0 407.466 4.642 50 0 biogenic HJAARN O=S(=O)(Cc1ccccc1)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 ZINC000208006186 569286906 /nfs/dbraw/zinc/28/69/06/569286906.db2.gz CAJRYQYOBZWDOP-UHFFFAOYSA-N 0 0 422.535 4.891 50 0 HJAARN Nc1c2c(nn1-c1ccccc1)nc(NCCc1ccccc1)nc2-c1ccsc1 ZINC000037375634 569287894 /nfs/dbraw/zinc/28/78/94/569287894.db2.gz UTFZRJIMFFQXNX-UHFFFAOYSA-N 0 0 412.522 4.781 50 0 HJAARN CC(C)c1ccc(-c2nc(N3CCCC3)nc3nn(Cc4ccccc4)c(N)c32)cc1 ZINC000037376110 569288017 /nfs/dbraw/zinc/28/80/17/569288017.db2.gz UTPDHIJTFQDGED-UHFFFAOYSA-N 0 0 412.541 4.847 50 0 HJAARN Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000007598847 569288257 /nfs/dbraw/zinc/28/82/57/569288257.db2.gz CHLKHBZFJHVCNJ-UHFFFAOYSA-N 0 0 411.461 4.871 50 0 HJAARN COc1ccc(CCN(C)c2cc(Oc3cc(C)ccc3Cl)ncn2)cc1OC ZINC000037377096 569288269 /nfs/dbraw/zinc/28/82/69/569288269.db2.gz LFCQBEVHFKXWLE-UHFFFAOYSA-N 0 0 413.905 4.927 50 0 HJAARN COc1ccc(-c2coc3cc(OC(=O)c4ccccc4OC)ccc3c2=O)cc1 ZINC000002153191 569290118 /nfs/dbraw/zinc/29/01/18/569290118.db2.gz VIACOJXEGVZJKJ-UHFFFAOYSA-N 0 0 402.402 4.696 50 0 biogenic HJAARN COc1ccc(C(=O)Oc2ccc3c(c2)occ(Oc2ccccc2OC)c3=O)cc1 ZINC000002157957 569290511 /nfs/dbraw/zinc/29/05/11/569290511.db2.gz JNIBWJUTKIKXTB-UHFFFAOYSA-N 0 0 418.401 4.822 50 0 biogenic HJAARN COc1ccc2cc3cc(C(=O)OCC(=O)Nc4ccc(C)c(C)c4)sc3nc2c1 ZINC000012551678 569291544 /nfs/dbraw/zinc/29/15/44/569291544.db2.gz JEFIUZAYOQMJLI-UHFFFAOYSA-N 0 0 420.490 4.870 50 0 HJAARN CC(C)[C@@H](NC(=O)c1c[nH]c(=O)c2ccccc12)c1nc2ccccc2n1C(C)C ZINC000252570390 569294343 /nfs/dbraw/zinc/29/43/43/569294343.db2.gz WQBQGJNFNYRQCH-OAQYLSRUSA-N 0 0 402.498 4.998 50 0 HJAARN CC(C)c1noc(CCCN2CC(=O)C(c3nc(-c4ccccc4)cs3)=C2N)n1 ZINC000252571324 569294403 /nfs/dbraw/zinc/29/44/03/569294403.db2.gz XTVDUADZTZSGAG-UHFFFAOYSA-N 0 0 409.515 4.511 50 0 HJAARN Cc1c(-c2nc(-c3ccccc3Cl)no2)nnn1-c1ccccc1C(F)(F)F ZINC000007615906 569295795 /nfs/dbraw/zinc/29/57/95/569295795.db2.gz OUIRHULHQLLCQW-UHFFFAOYSA-N 0 0 405.767 4.965 50 0 HJAARN Cc1nc2ccc(C(=O)OCc3nc(-c4ccc(C(C)C)cc4)no3)cc2nc1C ZINC000007616359 569295933 /nfs/dbraw/zinc/29/59/33/569295933.db2.gz MNOFZWCLVITSHM-UHFFFAOYSA-N 0 0 402.454 4.777 50 0 HJAARN COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnc(C)n1C1CC1)c1ccccc1 ZINC000007617388 569296009 /nfs/dbraw/zinc/29/60/09/569296009.db2.gz UBQLTIMVLXMSTK-FQEVSTJZSA-N 0 0 408.527 4.711 50 0 HJAARN O=C([C@H](Sc1nnc(-c2ccncc2)n1C1CC1)c1ccccc1)N1CCCCC1 ZINC000007617184 569296026 /nfs/dbraw/zinc/29/60/26/569296026.db2.gz QCJVYJSGZUODNU-HXUWFJFHSA-N 0 0 419.554 4.521 50 0 HJAARN Cc1cccc(-c2noc([C@@H]3CCCN3S(=O)(=O)c3ccc4ccccc4c3)n2)c1 ZINC000007669684 569299836 /nfs/dbraw/zinc/29/98/36/569299836.db2.gz SVVXTJBUMNWXAZ-NRFANRHFSA-N 0 0 419.506 4.724 50 0 HJAARN O=C(CSc1nncn1-c1ccccc1)Nc1ccccc1Cc1ccccc1 ZINC000007677581 569300317 /nfs/dbraw/zinc/30/03/17/569300317.db2.gz JWGWGRCSFFZIQM-UHFFFAOYSA-N 0 0 400.507 4.589 50 0 HJAARN O=S(=O)(Nc1ccccc1SCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000007709853 569301692 /nfs/dbraw/zinc/30/16/92/569301692.db2.gz FIYOZFWGQSZZLL-UHFFFAOYSA-N 0 0 413.520 4.551 50 0 HJAARN COc1ccc(OC)c([C@H]2CCCN2CC(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000007717218 569301975 /nfs/dbraw/zinc/30/19/75/569301975.db2.gz HIDIHJCYNFVOPA-GOSISDBHSA-N 0 0 409.313 4.786 50 0 HJAARN COc1ccc(-c2noc(CN(C(=O)c3cccc(F)c3)C3CCCCC3)n2)cc1 ZINC000007720282 569302360 /nfs/dbraw/zinc/30/23/60/569302360.db2.gz QOHCPPNRIFGSGJ-UHFFFAOYSA-N 0 0 409.461 4.859 50 0 HJAARN O=C(NCc1ccccc1F)c1cc2sccc2n1Cc1ccc2c(c1)OCO2 ZINC000037526472 569304186 /nfs/dbraw/zinc/30/41/86/569304186.db2.gz MCIKKUDIWWMUIN-UHFFFAOYSA-N 0 0 408.454 4.549 50 0 HJAARN Cc1cc2c(cc(C(=O)NC[C@@H]3CCCO3)n2Cc2ccc(C(F)(F)F)cc2)s1 ZINC000037526665 569304221 /nfs/dbraw/zinc/30/42/21/569304221.db2.gz WDKNWFHNSZVBRE-INIZCTEOSA-N 0 0 422.472 4.987 50 0 HJAARN Cc1ccc(C(=O)N(Cc2ccccn2)Cc2ccc(Br)cc2F)o1 ZINC000065936280 569304332 /nfs/dbraw/zinc/30/43/32/569304332.db2.gz YCBZFKOVSWRMQY-UHFFFAOYSA-N 0 0 403.251 4.727 50 0 HJAARN O=C(NCC1CC1)c1cc2sc(Br)cc2n1CCOc1ccccc1 ZINC000037542635 569305188 /nfs/dbraw/zinc/30/51/88/569305188.db2.gz PQYYVDHDWJDYBS-UHFFFAOYSA-N 0 0 419.344 4.684 50 0 HJAARN COc1ccccc1Cn1c(C(=O)NCC(C)C)cc2sc(Br)cc21 ZINC000037541798 569305601 /nfs/dbraw/zinc/30/56/01/569305601.db2.gz YHKJEAJFHJMEKD-UHFFFAOYSA-N 0 0 421.360 4.908 50 0 HJAARN Cc1cccc([C@H]2CC[C@@H](C(=O)NCc3ccco3)CN2C(=O)c2ccc(F)cc2)c1 ZINC000037545827 569305632 /nfs/dbraw/zinc/30/56/32/569305632.db2.gz CLQNVMBBHTUQRE-NFBKMPQASA-N 0 0 420.484 4.637 50 0 HJAARN COc1ccc(-n2nc(C)c(CCC(=O)NC(C)C)c2Oc2ccccc2C)cc1 ZINC000037546948 569305727 /nfs/dbraw/zinc/30/57/27/569305727.db2.gz ZZCLGLHNUWFAHV-UHFFFAOYSA-N 0 0 407.514 4.747 50 0 HJAARN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CCC(=O)NCC1CC1 ZINC000037547275 569305833 /nfs/dbraw/zinc/30/58/33/569305833.db2.gz UERMWWYICUVIBU-UHFFFAOYSA-N 0 0 411.452 4.710 50 0 HJAARN O=C(c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1)N1CCCCCC1 ZINC000007754284 569307051 /nfs/dbraw/zinc/30/70/51/569307051.db2.gz GGJMOBJEAGCGMO-UHFFFAOYSA-N 0 0 411.509 4.558 50 0 HJAARN O=C(CCCOc1ccc(Cl)cc1Cl)OCc1nnc(-c2ccccc2)o1 ZINC000007778538 569308911 /nfs/dbraw/zinc/30/89/11/569308911.db2.gz DVELAIIZLMVBOX-UHFFFAOYSA-N 0 0 407.253 4.946 50 0 HJAARN CC(C)NC(=O)Cc1cccc(N(Cc2ccc(F)cc2)C(=O)c2cccs2)c1 ZINC000037601068 569309127 /nfs/dbraw/zinc/30/91/27/569309127.db2.gz BHGXXIWWLUMFAA-UHFFFAOYSA-N 0 0 410.514 4.801 50 0 HJAARN COc1ccc(CCC(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1OC ZINC000007779762 569309341 /nfs/dbraw/zinc/30/93/41/569309341.db2.gz AFGQSMKGUGQCEL-UHFFFAOYSA-N 0 0 404.438 4.677 50 0 HJAARN CCCCOC(=O)CSc1nnc(-c2ccc(OC)cc2)n1C1CCCCC1 ZINC000007784296 569310213 /nfs/dbraw/zinc/31/02/13/569310213.db2.gz KRRLAMVFXKXXIE-UHFFFAOYSA-N 0 0 403.548 4.894 50 0 HJAARN CC(C)[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc2c(c1)OCCCO2 ZINC000007814407 569312574 /nfs/dbraw/zinc/31/25/74/569312574.db2.gz HMZLRYQVDCHOTL-QVKFZJNVSA-N 0 0 403.906 4.782 50 0 HJAARN Clc1ccc(-n2ncc3c4nnc(CCc5ccccc5)n4cnc32)cc1Cl ZINC000002223562 569313411 /nfs/dbraw/zinc/31/34/11/569313411.db2.gz LJMBOTVKTAFQSI-UHFFFAOYSA-N 0 0 409.280 4.555 50 0 HJAARN CCOC(=O)c1ccc(-n2c3nc4ccccc4nc3nc2-c2ccc(OC)cc2)cc1 ZINC000002224517 569313487 /nfs/dbraw/zinc/31/34/87/569313487.db2.gz NZFGJFBQWAULER-UHFFFAOYSA-N 0 0 424.460 4.821 50 0 HJAARN Cc1ccccc1-c1nnc(SCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)n1C ZINC000007834748 569314030 /nfs/dbraw/zinc/31/40/30/569314030.db2.gz IXJCWFCLLYUHKC-KRWDZBQOSA-N 0 0 420.582 4.639 50 0 HJAARN C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1ccccc1F ZINC000007843615 569314068 /nfs/dbraw/zinc/31/40/68/569314068.db2.gz UMWIBMVOVLXOQP-GFCCVEGCSA-N 0 0 402.520 4.524 50 0 HJAARN Cc1cccc(N2CCN(C(=O)CCC(=O)c3ccc4ccccc4c3)CC2)c1C ZINC000007849617 569314668 /nfs/dbraw/zinc/31/46/68/569314668.db2.gz KNKKPBIPZJTXJP-UHFFFAOYSA-N 0 0 400.522 4.768 50 0 HJAARN COc1ccc(CCN2C(=O)c3ccccc3N[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000007884459 569315162 /nfs/dbraw/zinc/31/51/62/569315162.db2.gz PNAUINPJOYNRHV-DEOSSOPVSA-N 0 0 418.493 4.522 50 0 HJAARN CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc(Br)c1OC ZINC000007886308 569315277 /nfs/dbraw/zinc/31/52/77/569315277.db2.gz HVZBYRMUNDHOKC-LJQANCHMSA-N 0 0 417.303 4.585 50 0 HJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1[C@@H]1Nc2ccccc2C(=O)N1C1CC1 ZINC000007886355 569315259 /nfs/dbraw/zinc/31/52/59/569315259.db2.gz DCSTUBAYPLYMTE-JOCHJYFZSA-N 0 0 406.917 4.931 50 0 HJAARN COc1ccc([C@@H](CNC(=O)COc2ccccc2)c2c[nH]c3ccccc32)cc1 ZINC000007890171 569315398 /nfs/dbraw/zinc/31/53/98/569315398.db2.gz AGAAPCKBMLBWNN-JOCHJYFZSA-N 0 0 400.478 4.504 50 0 HJAARN COc1ccccc1N=c1scc(-c2ccc(Br)cc2)n1CCCO ZINC000252666514 569318990 /nfs/dbraw/zinc/31/89/90/569318990.db2.gz BSKUHEQMYKFAQT-UHFFFAOYSA-N 0 0 419.344 4.603 50 0 HJAARN COc1ccccc1C=c1sc2nc(-c3ccccc3)c(-c3ccccc3)n2c1=O ZINC000252675726 569319628 /nfs/dbraw/zinc/31/96/28/569319628.db2.gz UVTUZIDEXZTJBQ-UHFFFAOYSA-N 0 0 410.498 4.646 50 0 HJAARN CCC[C@@H]1Cc2c(sc3nc(SCC(=O)c4ccc(F)cc4)nc(N)c32)CO1 ZINC000002235560 569321609 /nfs/dbraw/zinc/32/16/09/569321609.db2.gz LKWJCIJKLVVFOP-CYBMUJFWSA-N 0 0 417.531 4.629 50 0 HJAARN O=C(Nc1ccc2c(c1)OCO2)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000007912766 569321671 /nfs/dbraw/zinc/32/16/71/569321671.db2.gz YTNNAYLJELOSKO-UHFFFAOYSA-N 0 0 403.463 4.641 50 0 HJAARN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N(C)CC(=O)Nc1ccccc1Cl ZINC000007912460 569321678 /nfs/dbraw/zinc/32/16/78/569321678.db2.gz PUJBVVDIBCEZCB-CVEARBPZSA-N 0 0 401.938 4.751 50 0 HJAARN COc1cccc(C(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)c1OC ZINC000002961553 569322690 /nfs/dbraw/zinc/32/26/90/569322690.db2.gz GHKNIVCJUNMODW-UHFFFAOYSA-N 0 0 405.479 4.936 50 0 HJAARN COc1cc(OC)cc(-n2c(-c3ccc(F)cc3)nc3nc4ccccc4nc32)c1 ZINC000002253171 569324816 /nfs/dbraw/zinc/32/48/16/569324816.db2.gz PBTDBEDKFIQSJP-UHFFFAOYSA-N 0 0 400.413 4.792 50 0 HJAARN Cc1ccc(-c2nn(CCC(=O)N[C@@H](C)c3ccccc3)c(=O)c3ccccc32)cc1 ZINC000002262972 569325432 /nfs/dbraw/zinc/32/54/32/569325432.db2.gz NZJPDTKQASCWGH-IBGZPJMESA-N 0 0 411.505 4.639 50 0 HJAARN CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000002256676 569326414 /nfs/dbraw/zinc/32/64/14/569326414.db2.gz NRKHMAOSNFNSHG-DZGCQCFKSA-N 0 0 413.326 4.595 50 0 HJAARN CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@H](CC[C@@]34CCC(=O)O4)[C@H]12 ZINC000003881699 569356907 /nfs/dbraw/zinc/35/69/07/569356907.db2.gz LXMSZDCAJNLERA-WMSBGFBQSA-N 0 0 416.583 4.852 50 0 biogenic HJAARN CN1C[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccccc12 ZINC000043732597 569358230 /nfs/dbraw/zinc/35/82/30/569358230.db2.gz JRKXZSDHWWDBMI-QNIAMRLHSA-N 0 0 416.908 4.716 50 0 HJAARN COC(=O)[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC(=O)[C@]21C ZINC000257347517 569363808 /nfs/dbraw/zinc/36/38/08/569363808.db2.gz KCWRJZPEFSQWMV-YPMDYNCDSA-N 0 0 418.574 4.565 50 0 HJAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]21C ZINC000257357018 569364465 /nfs/dbraw/zinc/36/44/65/569364465.db2.gz LOJPGRHPJBGMMF-ZXPGFJKCSA-N 0 0 404.591 4.775 50 0 HJAARN CCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000253392113 569364962 /nfs/dbraw/zinc/36/49/62/569364962.db2.gz IRAYKYHTTMXIIH-INIZCTEOSA-N 0 0 422.422 4.750 50 0 HJAARN COc1cc2nc(Cl)c([C@H]3CC(c4ccccc4)=NN3C(C)=O)cc2c(OC)c1 ZINC000253430115 569368745 /nfs/dbraw/zinc/36/87/45/569368745.db2.gz DRBYXWXAVDVSCK-HXUWFJFHSA-N 0 0 409.873 4.603 50 0 HJAARN Nc1nnc(CNc2nc(-c3cccs3)nc3scc(-c4ccccc4)c32)o1 ZINC000253431847 569369709 /nfs/dbraw/zinc/36/97/09/569369709.db2.gz XQVZENRSLBIFRO-UHFFFAOYSA-N 0 0 406.496 4.664 50 0 HJAARN CC(=O)c1cccc(NC(=O)CCCCCCCCN2C(=O)c3ccccc3C2=O)c1 ZINC000002309958 569372798 /nfs/dbraw/zinc/37/27/98/569372798.db2.gz DQVGNYMANOKICP-UHFFFAOYSA-N 0 0 420.509 4.855 50 0 HJAARN CCc1c(C)c2ccc(OCC(=O)Nc3cc(Cl)ccc3Cl)cc2oc1=O ZINC000002315498 569373051 /nfs/dbraw/zinc/37/30/51/569373051.db2.gz IEBPFYBQDXPNBM-UHFFFAOYSA-N 0 0 406.265 4.988 50 0 HJAARN CCOc1cc([C@H]2NCc3cc(OCC)c(OCC)cc3-n3cccc32)ccc1OC ZINC000055008574 569375240 /nfs/dbraw/zinc/37/52/40/569375240.db2.gz ARBJEHCUMUOEKN-RUZDIDTESA-N 0 0 422.525 4.875 50 0 HJAARN CCCCc1ccc(NC(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)cc1 ZINC000027632020 569381187 /nfs/dbraw/zinc/38/11/87/569381187.db2.gz OTHQBCHLNSJCEK-UHFFFAOYSA-N 0 0 400.935 4.869 50 0 HJAARN CCOC(=O)CSc1nnc2c3c4c(sc3nc(-c3ccccc3)n12)CCCC4 ZINC000002354352 569385206 /nfs/dbraw/zinc/38/52/06/569385206.db2.gz VJCXVBLXWHOSGE-UHFFFAOYSA-N 0 0 424.551 4.540 50 0 HJAARN CC(C)c1nc2oc3c(ncnc3NCc3ccccn3)c2c2c1COC(C)(C)C2 ZINC000002353482 569385194 /nfs/dbraw/zinc/38/51/94/569385194.db2.gz GKDADMLDAFYGBO-UHFFFAOYSA-N 0 0 403.486 4.753 50 0 HJAARN COc1cccc2c1ccn2CC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000252489676 569387535 /nfs/dbraw/zinc/38/75/35/569387535.db2.gz JWICPHDUAPWQPO-QFIPXVFZSA-N 0 0 424.504 4.626 50 0 HJAARN Cc1cccc(-n2c(N)c(C(=O)OCc3ccccc3)c3nc4ccccc4nc32)c1 ZINC000002368795 569388447 /nfs/dbraw/zinc/38/84/47/569388447.db2.gz MUWORRVIULJKJK-UHFFFAOYSA-N 0 0 408.461 4.821 50 0 HJAARN COC(=O)c1c(C)oc2ccc(OC(=O)c3c(C)oc4ccc(OC(C)=O)cc43)cc21 ZINC000009042794 569391301 /nfs/dbraw/zinc/39/13/01/569391301.db2.gz TXMPZLDHMYTXSN-UHFFFAOYSA-N 0 0 422.389 4.727 50 0 biogenic HJAARN COCCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 ZINC000002389472 569392810 /nfs/dbraw/zinc/39/28/10/569392810.db2.gz CNNSAKVRKYFDLI-UHFFFAOYSA-N 0 0 420.538 4.816 50 0 HJAARN O=c1/c(=C\c2ccc(-c3ccccc3)cc2)sc2nnc(-c3ccccc3Cl)n12 ZINC000002393450 569394109 /nfs/dbraw/zinc/39/41/09/569394109.db2.gz LEFSYBFVRMJEGO-XSFVSMFZSA-N 0 0 415.905 4.686 50 0 HJAARN CCn1c(S[C@H](C)c2nc(C(C)C)no2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000027778202 569394238 /nfs/dbraw/zinc/39/42/38/569394238.db2.gz BFLALDSGQHYASC-VXGBXAGGSA-N 0 0 418.588 4.962 50 0 HJAARN CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nccs2)cc1 ZINC000002400368 569395413 /nfs/dbraw/zinc/39/54/13/569395413.db2.gz YLLVRCGYKIUTNT-IBGZPJMESA-N 0 0 418.474 4.706 50 0 HJAARN CCCCCOC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc21 ZINC000002409851 569396614 /nfs/dbraw/zinc/39/66/14/569396614.db2.gz JFYOSHKDSOZATQ-UHFFFAOYSA-N 0 0 402.498 4.756 50 0 HJAARN CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000012140057 569399778 /nfs/dbraw/zinc/39/97/78/569399778.db2.gz HHYLBQXORLKJCV-UHFFFAOYSA-N 0 0 415.342 4.666 50 0 HJAARN CCCCc1nc2sc3c(nc(SC)nc3NC[C@H](C)O)c2c2c1CCC2 ZINC000002441141 569400622 /nfs/dbraw/zinc/40/06/22/569400622.db2.gz QUQFUOGIUQKXQI-NSHDSACASA-N 0 0 402.589 4.585 50 0 HJAARN CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2F)o1 ZINC000002443149 569400841 /nfs/dbraw/zinc/40/08/41/569400841.db2.gz WQOZRGUHWWFCNL-AWEZNQCLSA-N 0 0 413.540 4.820 50 0 HJAARN Cc1cccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)c1 ZINC000002447521 569401750 /nfs/dbraw/zinc/40/17/50/569401750.db2.gz YUAYUXGHUCUBGL-UHFFFAOYSA-N 0 0 409.902 4.508 50 0 HJAARN CSc1ccccc1C(=O)OCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000007943200 569402338 /nfs/dbraw/zinc/40/23/38/569402338.db2.gz LTKPNPZLWUVVID-UHFFFAOYSA-N 0 0 408.504 4.731 50 0 HJAARN Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)c1 ZINC000002452815 569405360 /nfs/dbraw/zinc/40/53/60/569405360.db2.gz WNXBALYRIFXCOR-UHFFFAOYSA-N 0 0 418.522 4.934 50 0 HJAARN CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccccc1Cl ZINC000002453233 569405538 /nfs/dbraw/zinc/40/55/38/569405538.db2.gz DXJAUQIHAMENNJ-UHFFFAOYSA-N 0 0 400.935 4.966 50 0 HJAARN C[C@@H](NC(=O)NCc1cccc(NC(=O)C2CC2)c1)c1ccc(Cl)cc1Cl ZINC000012993625 569406135 /nfs/dbraw/zinc/40/61/35/569406135.db2.gz HARWQBBJGPVJRT-GFCCVEGCSA-N 0 0 406.313 4.902 50 0 HJAARN Nn1c(SCCOc2ccccc2Cl)nnc1-c1ccc(Cl)cc1Cl ZINC000013041556 569407973 /nfs/dbraw/zinc/40/79/73/569407973.db2.gz WOUXQKGGNZNCLL-UHFFFAOYSA-N 0 0 415.733 4.790 50 0 HJAARN COc1ccc(-c2csc(NC(=O)COc3ccc4ccccc4c3)n2)cc1OC ZINC000013112602 569409243 /nfs/dbraw/zinc/40/92/43/569409243.db2.gz VGUGKYNETIMDCQ-UHFFFAOYSA-N 0 0 420.490 4.998 50 0 HJAARN CCc1ccc(S(=O)(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 ZINC000013351168 569411185 /nfs/dbraw/zinc/41/11/85/569411185.db2.gz CYVMWRLUSHJYNQ-UHFFFAOYSA-N 0 0 405.479 4.767 50 0 HJAARN COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1ccc(Cl)cc1F ZINC000013358256 569411662 /nfs/dbraw/zinc/41/16/62/569411662.db2.gz FDKWOJXGTKPPLI-UHFFFAOYSA-N 0 0 412.895 4.720 50 0 HJAARN Cc1ccc(CNC(=O)[C@H]2CCC(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000078623935 569414520 /nfs/dbraw/zinc/41/45/20/569414520.db2.gz QWHXUZSTRUMLCJ-AHWVRZQESA-N 0 0 412.533 4.791 50 0 HJAARN Cc1cccnc1OC1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000328593537 569415568 /nfs/dbraw/zinc/41/55/68/569415568.db2.gz GJHDMPAXLYBCSB-UHFFFAOYSA-N 0 0 419.506 4.943 50 0 HJAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N(CCc1ccccc1)[C@H]1CCOC1 ZINC000079053674 569425814 /nfs/dbraw/zinc/42/58/14/569425814.db2.gz MEKRGOZJSDZCNN-NRFANRHFSA-N 0 0 424.928 4.788 50 0 HJAARN Clc1ccc2[nH]c([C@@H]3CCCN3c3nc(-c4ccncc4)nc4c3CCC4)nc2c1 ZINC000079061761 569426318 /nfs/dbraw/zinc/42/63/18/569426318.db2.gz HDYRJUVNFVRXED-FQEVSTJZSA-N 0 0 416.916 4.899 50 0 HJAARN C[C@H](CC(=O)c1ccccc1)NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1 ZINC000079103296 569427617 /nfs/dbraw/zinc/42/76/17/569427617.db2.gz JNNAHIHOVAIORV-OAHLLOKOSA-N 0 0 407.495 4.783 50 0 HJAARN CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(-c2ccccc2)o1 ZINC000079189138 569429216 /nfs/dbraw/zinc/42/92/16/569429216.db2.gz IGHZMHVUJAATKT-DENIHFKCSA-N 0 0 402.402 4.509 50 0 biogenic HJAARN Cc1[nH]c2ccccc2c(=O)c1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019793710 569429973 /nfs/dbraw/zinc/42/99/73/569429973.db2.gz TYXUOBQIDODTGH-UHFFFAOYSA-N 0 0 423.560 4.744 50 0 HJAARN Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccccc2F)N2CCOCC2)c1C ZINC000019879505 569433061 /nfs/dbraw/zinc/43/30/61/569433061.db2.gz LZWMNJOGKGXSIA-FQEVSTJZSA-N 0 0 414.502 4.771 50 0 HJAARN CCOc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2cccc(C)c2)cc1 ZINC000001432450 571044457 /nfs/dbraw/zinc/04/44/57/571044457.db2.gz IAAVTFSUMJGFOO-UHFFFAOYSA-N 0 0 419.529 4.950 50 0 HJAARN CC[C@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1c(C)cc(C)cc1C ZINC000067238881 571051525 /nfs/dbraw/zinc/05/15/25/571051525.db2.gz ZUVGBSNGAGHIJT-INIZCTEOSA-N 0 0 412.559 4.660 50 0 HJAARN CC[C@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccc(Cl)cc1F ZINC000067238929 571051565 /nfs/dbraw/zinc/05/15/65/571051565.db2.gz GBDRVTUWXHOUKW-NSHDSACASA-N 0 0 422.913 4.527 50 0 HJAARN CC[C@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000067238809 571051581 /nfs/dbraw/zinc/05/15/81/571051581.db2.gz JJQSDDYOLLUQMZ-HNNXBMFYSA-N 0 0 412.559 4.858 50 0 HJAARN CC(C)Oc1ccc(-c2noc(Cc3nc(-c4ccc5c(c4)OCO5)cs3)n2)cc1 ZINC000067246077 571054351 /nfs/dbraw/zinc/05/43/51/571054351.db2.gz CIIIJWWYDUCXHT-UHFFFAOYSA-N 0 0 421.478 4.967 50 0 HJAARN CCc1ccc(-c2nc(S[C@@H](C)C(=O)N[C@H]3CCCc4ccccc43)n[nH]2)cc1 ZINC000008484150 571055112 /nfs/dbraw/zinc/05/51/12/571055112.db2.gz SYYKEQGHHPERIS-YWZLYKJASA-N 0 0 406.555 4.709 50 0 HJAARN O=c1c2ccccc2nc(SCc2ccc3c(c2)OCO3)n1CCc1ccccc1 ZINC000067259303 571058571 /nfs/dbraw/zinc/05/85/71/571058571.db2.gz INFGUMCHQVRLHP-UHFFFAOYSA-N 0 0 416.502 4.660 50 0 HJAARN Cc1c(-c2nc(-c3cccs3)no2)sc2ncn(Cc3ccc(F)cc3)c(=O)c12 ZINC000067260393 571059569 /nfs/dbraw/zinc/05/95/69/571059569.db2.gz XYBHMVRYOXTGOA-UHFFFAOYSA-N 0 0 424.482 4.732 50 0 HJAARN O=C(NCc1ccc(Cl)cc1)c1nnn(-c2ccccc2Cl)c1-c1cccnc1 ZINC000067261287 571060148 /nfs/dbraw/zinc/06/01/48/571060148.db2.gz PISPWFSUGVRCQD-UHFFFAOYSA-N 0 0 424.291 4.566 50 0 HJAARN Cc1nc(-n2cccc2)sc1C(=O)NCC1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000038671589 571060512 /nfs/dbraw/zinc/06/05/12/571060512.db2.gz XOTVNAGAHUPKTA-UHFFFAOYSA-N 0 0 419.554 4.822 50 0 HJAARN Cc1csc(SCC(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)n1 ZINC000008505599 571062793 /nfs/dbraw/zinc/06/27/93/571062793.db2.gz LEEBJDITCAKGID-UHFFFAOYSA-N 0 0 401.488 4.574 50 0 HJAARN O=C(CSc1nccn2nc(-c3cccs3)cc12)NCc1ccc(Cl)cc1 ZINC000067290182 571066876 /nfs/dbraw/zinc/06/68/76/571066876.db2.gz FQBNGOMPYMZOOH-UHFFFAOYSA-N 0 0 414.943 4.520 50 0 HJAARN COc1cc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)cc(OC)c1 ZINC000067297362 571071826 /nfs/dbraw/zinc/07/18/26/571071826.db2.gz SWYIULVGKZLZCT-LCUIJRPUSA-N 0 0 400.434 4.935 50 0 HJAARN CCOc1ccccc1/N=c1\oc2cc(O)ccc2cc1C(=O)Nc1cccc(C)n1 ZINC000067297863 571072279 /nfs/dbraw/zinc/07/22/79/571072279.db2.gz VKKHSKKPJHFFMV-LCUIJRPUSA-N 0 0 415.449 4.725 50 0 HJAARN COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc(F)c(C)c3)oc21 ZINC000067299113 571073035 /nfs/dbraw/zinc/07/30/35/571073035.db2.gz ZVIOURPLYHVLBV-RWEWTDSWSA-N 0 0 406.413 4.644 50 0 HJAARN CCOc1ccccc1/N=c1\oc2c(cccc2OC)cc1C(=O)NCc1ccco1 ZINC000067298957 571073049 /nfs/dbraw/zinc/07/30/49/571073049.db2.gz GVYXBQKBZRYIDQ-LCUIJRPUSA-N 0 0 418.449 4.596 50 0 HJAARN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N(C)CCOc1ccc(Cl)cc1 ZINC000008532521 571074798 /nfs/dbraw/zinc/07/47/98/571074798.db2.gz PYXAEYSQBNJGHT-CYBMUJFWSA-N 0 0 400.828 4.697 50 0 HJAARN Fc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc4c(c3)OCCO4)=NN21 ZINC000067321526 571077225 /nfs/dbraw/zinc/07/72/25/571077225.db2.gz NMQFIBJTBABNOV-RDPSFJRHSA-N 0 0 402.425 4.839 50 0 HJAARN CC[C@@H](C)n1c(SCC(=O)Nc2ccc(C)c(C)c2)nc2ccsc2c1=O ZINC000067335171 571079375 /nfs/dbraw/zinc/07/93/75/571079375.db2.gz NSDLXVVSDQBNCG-CQSZACIVSA-N 0 0 401.557 4.777 50 0 HJAARN CCc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1[C@@H](C)CC ZINC000067335146 571079390 /nfs/dbraw/zinc/07/93/90/571079390.db2.gz SNJJMORDXJRWAC-ZDUSSCGKSA-N 0 0 401.557 4.722 50 0 HJAARN CC[C@H](C)n1c(SCC(=O)Nc2cc(C)cc(C)c2)nc2ccsc2c1=O ZINC000067335124 571079465 /nfs/dbraw/zinc/07/94/65/571079465.db2.gz BKPMMHMJCUODFI-AWEZNQCLSA-N 0 0 401.557 4.777 50 0 HJAARN CCc1cccc(NC(=O)C[C@@H](c2ccc(OC)cc2)N2Cc3ccccc3C2=O)c1 ZINC000008593081 571087098 /nfs/dbraw/zinc/08/70/98/571087098.db2.gz ZLVTTYNHKDGAIY-DEOSSOPVSA-N 0 0 414.505 4.984 50 0 HJAARN O=C(Nc1cccc(C(=O)NCc2cccc(F)c2)c1)c1nsc2ccccc21 ZINC000008599631 571089074 /nfs/dbraw/zinc/08/90/74/571089074.db2.gz DGYHJHCDDKPLII-UHFFFAOYSA-N 0 0 405.454 4.618 50 0 aggregator HJAARN Cc1nc2ccn(Cc3ccccc3)c(=O)c2cc1C(=O)Nc1ccc(F)cc1Cl ZINC000008605785 571092114 /nfs/dbraw/zinc/09/21/14/571092114.db2.gz XNDPNHKMAKKBIO-UHFFFAOYSA-N 0 0 421.859 4.798 50 0 HJAARN CC(C)n1nccc1-c1nnc(NC(=O)CC(c2ccccc2)c2ccccc2)o1 ZINC000038871948 571092456 /nfs/dbraw/zinc/09/24/56/571092456.db2.gz KRVYGOBOCHKRGX-UHFFFAOYSA-N 0 0 401.470 4.675 50 0 HJAARN COc1cccc(Cn2c3ccccc3nc2SCC(=O)N(C)c2ccccc2)c1 ZINC000008609234 571093826 /nfs/dbraw/zinc/09/38/26/571093826.db2.gz VATJKIKJYVYWBQ-UHFFFAOYSA-N 0 0 417.534 4.848 50 0 HJAARN COc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CC1=O ZINC000008625810 571096747 /nfs/dbraw/zinc/09/67/47/571096747.db2.gz BVGVUOYMFVICDX-GOSISDBHSA-N 0 0 415.468 4.753 50 0 HJAARN CC(C)C(=O)Nc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1 ZINC000008673666 571100720 /nfs/dbraw/zinc/10/07/20/571100720.db2.gz FLDMJIGMBFGOEA-UHFFFAOYSA-N 0 0 411.552 4.572 50 0 HJAARN Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N2Cc3ccccc3C2=O)cc1Cl ZINC000008674051 571101031 /nfs/dbraw/zinc/10/10/31/571101031.db2.gz WGEUSDWPSNPLTJ-QFIPXVFZSA-N 0 0 404.897 4.854 50 0 HJAARN Cc1nc(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c(C(N)=O)c(C)c1C ZINC000008704002 571102923 /nfs/dbraw/zinc/10/29/23/571102923.db2.gz LWNRZBKTOSPQJP-HXUWFJFHSA-N 0 0 423.513 4.717 50 0 HJAARN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1[C@@H]1Nc2ccccc2C(=O)N1 ZINC000008703985 571102925 /nfs/dbraw/zinc/10/29/25/571102925.db2.gz FKKSVHHITFMCTH-JOCHJYFZSA-N 0 0 414.440 4.966 50 0 HJAARN O=C(CNc1ccc(Br)cc1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000008704531 571102973 /nfs/dbraw/zinc/10/29/73/571102973.db2.gz YDDNWPJABNOFSD-UHFFFAOYSA-N 0 0 424.298 4.752 50 0 HJAARN Cc1cc(-c2csc(NC(=O)c3ccc(CN4CCCC4=O)cc3)n2)c(C)s1 ZINC000008707983 571104176 /nfs/dbraw/zinc/10/41/76/571104176.db2.gz JUGLNARONIMRHQ-UHFFFAOYSA-N 0 0 411.552 4.863 50 0 HJAARN C[C@@H](Oc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000008718938 571106099 /nfs/dbraw/zinc/10/60/99/571106099.db2.gz UXZKYPFGMQPKOL-GOSISDBHSA-N 0 0 400.478 4.886 50 0 HJAARN Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cc2cc(Cl)ccc2o1 ZINC000008724138 571107517 /nfs/dbraw/zinc/10/75/17/571107517.db2.gz NACOYQPLFZEICP-UHFFFAOYSA-N 0 0 421.678 4.526 50 0 HJAARN CN(Cc1ccco1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000008750140 571111780 /nfs/dbraw/zinc/11/17/80/571111780.db2.gz HMOXRHQVYYDAPO-UHFFFAOYSA-N 0 0 405.885 4.987 50 0 HJAARN O=C(Nc1nc(-c2csc(NC(=O)c3cccs3)n2)cs1)c1cccs1 ZINC000008766638 571115632 /nfs/dbraw/zinc/11/56/32/571115632.db2.gz HOEFJGPIBOAFOF-UHFFFAOYSA-N 0 0 418.550 4.894 50 0 HJAARN Cc1nc(NC(=O)Nc2ccccc2)sc1C(=O)NCc1ccc(Cl)cc1 ZINC000008770570 571116865 /nfs/dbraw/zinc/11/68/65/571116865.db2.gz NTYLBTQIVPULHM-UHFFFAOYSA-N 0 0 400.891 4.679 50 0 HJAARN Cc1nc(NC(=O)Nc2cccc(Cl)c2)sc1C(=O)NCc1cccs1 ZINC000008771830 571117323 /nfs/dbraw/zinc/11/73/23/571117323.db2.gz DNSAHBMMXKJRIF-UHFFFAOYSA-N 0 0 406.920 4.740 50 0 HJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccc2F)N1c1nccs1 ZINC000008827460 571122167 /nfs/dbraw/zinc/12/21/67/571122167.db2.gz XYYZBQRCYFJMPW-MRXNPFEDSA-N 0 0 412.829 4.792 50 0 HJAARN O=S(=O)(c1ccc(Br)cc1)N1CCS[C@@H]1c1ccccc1Cl ZINC000008834488 571123143 /nfs/dbraw/zinc/12/31/43/571123143.db2.gz ZRWURGFCCBMRNH-OAHLLOKOSA-N 0 0 418.765 4.539 50 0 HJAARN O=C(NC[C@H]1CN(c2cccc(Cl)c2)C(=O)O1)Nc1ccc(C(F)(F)F)cc1 ZINC000008839592 571123405 /nfs/dbraw/zinc/12/34/05/571123405.db2.gz 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132328925 /nfs/dbraw/zinc/32/89/25/132328925.db2.gz OGXKQIMPMLJIFD-UHFFFAOYSA-N 0 0 423.582 4.644 50 0 HJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2c3ccccc3CC[C@H]2C)cc1 ZINC000008366922 132329785 /nfs/dbraw/zinc/32/97/85/132329785.db2.gz VDACUHHVVSUETC-QGZVFWFLSA-N 0 0 409.489 4.676 50 0 HJAARN O=C(Nc1cccc(F)c1)C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1 ZINC000008912796 132334092 /nfs/dbraw/zinc/33/40/92/132334092.db2.gz JJGWEKHJYGNGON-UHFFFAOYSA-N 0 0 424.476 4.978 50 0 HJAARN COc1ccccc1[C@@H](CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000008993433 132334631 /nfs/dbraw/zinc/33/46/31/132334631.db2.gz MOUIMLNWDMHCMK-DEOSSOPVSA-N 0 0 400.522 4.566 50 0 HJAARN CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccccc1F ZINC000009250382 132337537 /nfs/dbraw/zinc/33/75/37/132337537.db2.gz OEEJHQVLDQAAMX-UHFFFAOYSA-N 0 0 424.497 4.764 50 0 HJAARN CN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc(OCc2cscn2)cc1 ZINC000009379531 132339341 /nfs/dbraw/zinc/33/93/41/132339341.db2.gz TVANPALGEIVQSD-UHFFFAOYSA-N 0 0 421.566 4.985 50 0 HJAARN 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Brc1ccc(C2(c3nc(COc4ccccc4)no3)CCOCC2)cc1 ZINC000071890016 557312433 /nfs/dbraw/zinc/31/24/33/557312433.db2.gz YUHCFYCUCMWQGV-UHFFFAOYSA-N 0 0 415.287 4.508 50 0 HJAARN CCCCC(=O)Cc1cc2cc(Br)cc(Br)c2oc1=O ZINC000002139245 557317889 /nfs/dbraw/zinc/31/78/89/557317889.db2.gz BHFXHCHANWNTQF-UHFFFAOYSA-N 0 0 402.082 4.620 50 0 biogenic HJAARN CCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3F)c(OC)c2)C1=O ZINC000002168149 557321271 /nfs/dbraw/zinc/32/12/71/557321271.db2.gz OSDSSIGLKQNHCI-UNOMPAQXSA-N 0 0 401.459 4.860 50 0 HJAARN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(OCC(C)C)cc1 ZINC000002218235 557327806 /nfs/dbraw/zinc/32/78/06/557327806.db2.gz UJHCTCLLTJXJAZ-UHFFFAOYSA-N 0 0 408.454 4.828 50 0 HJAARN COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4F)nc3c2)cc1 ZINC000002221724 557328191 /nfs/dbraw/zinc/32/81/91/557328191.db2.gz XCYIDPSWOWTKTE-UHFFFAOYSA-N 0 0 421.453 4.769 50 0 HJAARN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccccc2)c1 ZINC000002219527 557328201 /nfs/dbraw/zinc/32/82/01/557328201.db2.gz 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/nfs/dbraw/zinc/39/17/67/557391767.db2.gz XZSMKSFSDHAQEB-UHFFFAOYSA-N 0 0 420.893 4.558 50 0 HJAARN CCCOc1ccc(-c2nc(C(=O)NCCc3ccc(OC)cc3)cs2)c(F)c1 ZINC000034713627 557393386 /nfs/dbraw/zinc/39/33/86/557393386.db2.gz UCZKDCFCCHQJNM-UHFFFAOYSA-N 0 0 414.502 4.719 50 0 HJAARN CCCC[C@@H](C(=O)Nc1ccc(F)cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000002810514 557393702 /nfs/dbraw/zinc/39/37/02/557393702.db2.gz UGNXDASGROZEHY-KRWDZBQOSA-N 0 0 423.271 4.926 50 0 HJAARN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000002811854 557394220 /nfs/dbraw/zinc/39/42/20/557394220.db2.gz NDWZSRIEJZANJS-UHFFFAOYSA-N 0 0 400.887 4.702 50 0 HJAARN COc1ccc(/C=C/C(=O)NCCSCc2c(F)cccc2Cl)cc1OC ZINC000002813185 557394497 /nfs/dbraw/zinc/39/44/97/557394497.db2.gz NXOLEQDYWHGCQF-VQHVLOKHSA-N 0 0 409.910 4.559 50 0 HJAARN Cc1nn(C[C@@H](O)COc2ccc3ccccc3c2Cl)c(C)c1Br ZINC000002828900 557397787 /nfs/dbraw/zinc/39/77/87/557397787.db2.gz KWAPULACBUISEI-CQSZACIVSA-N 0 0 409.711 4.509 50 0 HJAARN COc1ccc([C@H](NC(=O)c2c(F)c(F)c(F)c(F)c2F)c2ccccc2)cc1 ZINC000002833272 557398267 /nfs/dbraw/zinc/39/82/67/557398267.db2.gz XJFOPETVCVSASX-HXUWFJFHSA-N 0 0 407.338 4.910 50 0 HJAARN Cn1c(SCC(=O)n2c3ccccc3c3c2CCCC3)nnc1-c1ccccc1 ZINC000002835636 557398786 /nfs/dbraw/zinc/39/87/86/557398786.db2.gz AJEVZQPGYWUQCE-UHFFFAOYSA-N 0 0 402.523 4.748 50 0 HJAARN CCOc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3Cl)Nc3nc(N)nn32)cc1 ZINC000002843789 557402086 /nfs/dbraw/zinc/40/20/86/557402086.db2.gz MJKAMCCBKOBPTG-IRXDYDNUSA-N 0 0 404.301 4.712 50 0 HJAARN CCCOc1cc(/C=C2\N=C(c3ccccc3Br)OC2=O)ccc1OC ZINC000002844659 557402450 /nfs/dbraw/zinc/40/24/50/557402450.db2.gz ZGVOYXYSORFYCD-WJDWOHSUSA-N 0 0 416.271 4.591 50 0 HJAARN CCn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1ccc(C)cc1 ZINC000002846448 557403027 /nfs/dbraw/zinc/40/30/27/557403027.db2.gz XIBAACGKLIWRLF-UHFFFAOYSA-N 0 0 412.584 4.771 50 0 HJAARN Cc1nn(Cc2cccc(NC(=S)NC3CCCC3)c2)c(C)c1Br ZINC000002853486 557405957 /nfs/dbraw/zinc/40/59/57/557405957.db2.gz DBWJYOWHBVHCTB-UHFFFAOYSA-N 0 0 407.381 4.540 50 0 HJAARN CCOC(=O)c1c(NC(=S)N2C[C@H](C)O[C@@H](C)C2)sc(C)c1-c1ccccc1 ZINC000002856711 557407477 /nfs/dbraw/zinc/40/74/77/557407477.db2.gz DVHUOGLTOBBELA-KBPBESRZSA-N 0 0 418.584 4.706 50 0 HJAARN COc1cc(NC(=S)Nc2ccc3c(C)cc(=O)oc3c2)c(OC)cc1Cl ZINC000002857098 557407621 /nfs/dbraw/zinc/40/76/21/557407621.db2.gz PXBPTHVYPKFJJO-UHFFFAOYSA-N 0 0 404.875 4.581 50 0 HJAARN COc1ccc2cc(Br)ccc2c1CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000002861997 557410622 /nfs/dbraw/zinc/41/06/22/557410622.db2.gz CRGGDMJTOBYHSV-UHFFFAOYSA-N 0 0 412.283 4.995 50 0 HJAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1CCc1ccccc1 ZINC000002881339 557419549 /nfs/dbraw/zinc/41/95/49/557419549.db2.gz HTYHIZYYUAEGQP-UHFFFAOYSA-N 0 0 419.477 4.528 50 0 HJAARN CC(C)C(NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1)C(C)C ZINC000002881995 557419634 /nfs/dbraw/zinc/41/96/34/557419634.db2.gz CMKVMKZLJFRCLH-UHFFFAOYSA-N 0 0 422.978 4.576 50 0 HJAARN O=C(NCC1CC1)c1csc(-c2ccccc2OCc2ccc(F)c(F)c2)n1 ZINC000034723209 557425675 /nfs/dbraw/zinc/42/56/75/557425675.db2.gz WFXYEWODOROKCQ-UHFFFAOYSA-N 0 0 400.450 4.807 50 0 HJAARN COc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1OC ZINC000002970918 557432864 /nfs/dbraw/zinc/43/28/64/557432864.db2.gz PAVKQYMRHCWOQF-UHFFFAOYSA-N 0 0 402.244 4.979 50 0 HJAARN COc1ccc(C(=O)NC(=S)Nc2nc(-c3ccccc3)cs2)cc1Cl ZINC000002978498 557434215 /nfs/dbraw/zinc/43/42/15/557434215.db2.gz WBAAAMIAAQHOKL-UHFFFAOYSA-N 0 0 403.916 4.599 50 0 HJAARN Clc1ccc(Nc2ccc3nnc(-c4ccc(Br)cc4)n3n2)cc1 ZINC000002983322 557436257 /nfs/dbraw/zinc/43/62/57/557436257.db2.gz JHOZPGDEIWZQLK-UHFFFAOYSA-N 0 0 400.667 4.951 50 0 HJAARN COc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1 ZINC000002999286 557439520 /nfs/dbraw/zinc/43/95/20/557439520.db2.gz OZXAUIOHOMZRCW-UHFFFAOYSA-N 0 0 401.572 4.770 50 0 HJAARN COc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c(OC)c1 ZINC000002999259 557439588 /nfs/dbraw/zinc/43/95/88/557439588.db2.gz YSTPJGVOFKONLV-UHFFFAOYSA-N 0 0 402.244 4.979 50 0 HJAARN CCOc1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@@H]3C(F)(F)F)cc1 ZINC000003012997 557441403 /nfs/dbraw/zinc/44/14/03/557441403.db2.gz IAFZDGIFIHPFSK-NVXWUHKLSA-N 0 0 420.391 4.787 50 0 HJAARN O=C(NCc1ccccc1)Nc1cccc(N2CCCN(Cc3ccccc3)C2=O)c1 ZINC000034737181 557447557 /nfs/dbraw/zinc/44/75/57/557447557.db2.gz WQBIHEYIFQPUBT-UHFFFAOYSA-N 0 0 414.509 4.841 50 0 HJAARN COc1cccc(OC)c1C(=O)Nc1c(C)[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000034795477 557471259 /nfs/dbraw/zinc/47/12/59/557471259.db2.gz PKNOGFNBIHUAOI-UHFFFAOYSA-N 0 0 405.376 4.673 50 0 HJAARN CCCNC(=O)c1cn2c(n1)CC[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000034899103 557480732 /nfs/dbraw/zinc/48/07/32/557480732.db2.gz GMBPHILTHKJIBX-LLVKDONJSA-N 0 0 419.369 4.791 50 0 HJAARN O=C(NCc1ccco1)[C@H]1CCCN(c2nc3ccccc3n2C2CCCCC2)C1 ZINC000034900816 557481246 /nfs/dbraw/zinc/48/12/46/557481246.db2.gz GJNKNYYVUFXMDH-SFHVURJKSA-N 0 0 406.530 4.667 50 0 HJAARN Cc1cc(C)c(-c2cc(C(=O)N3CCN([C@H](C)c4ccccc4)CC3)nn2C)c(C)c1 ZINC000034901547 557481511 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Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)/C=C\c1cnn(C)c1C ZINC000035225133 557495018 /nfs/dbraw/zinc/49/50/18/557495018.db2.gz BIGUMWHQUUAJOL-HJWRWDBZSA-N 0 0 418.328 4.549 50 0 HJAARN COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@H](c2ccccc2)N(c2ccccc2)[C@@H]1c1ccccc1 ZINC000004115747 557515578 /nfs/dbraw/zinc/51/55/78/557515578.db2.gz XDOUZRIKRGQXKJ-MOUTVQLLSA-N 0 0 415.489 4.568 50 0 HJAARN C[C@@H]1CC[C@H](C)N(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccccc2)N3)C1 ZINC000004164897 557522980 /nfs/dbraw/zinc/52/29/80/557522980.db2.gz SJUIOMIHNPPKAB-KKBFJZEXSA-N 0 0 406.452 4.804 50 0 HJAARN Cc1cccc(C)c1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C ZINC000004189273 557526767 /nfs/dbraw/zinc/52/67/67/557526767.db2.gz LIIKPOQQTBAFPW-HXUWFJFHSA-N 0 0 407.514 4.859 50 0 biogenic HJAARN CCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000004189476 557526971 /nfs/dbraw/zinc/52/69/71/557526971.db2.gz FWHWYWWWNIDASB-QFIPXVFZSA-N 0 0 408.498 4.627 50 0 HJAARN 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COc1cccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccc(F)cc4)c3C)no2)c1 ZINC000004880824 557609505 /nfs/dbraw/zinc/60/95/05/557609505.db2.gz YABBLUMHGYNYGM-UHFFFAOYSA-N 0 0 420.444 4.603 50 0 HJAARN C[C@@H](CCc1ccccc1)NC(=O)CCCCC(=O)N[C@@H](C)CCc1ccccc1 ZINC000004894436 557610575 /nfs/dbraw/zinc/61/05/75/557610575.db2.gz YNMNRUWMCQZSNC-VXKWHMMOSA-N 0 0 408.586 4.822 50 0 HJAARN COc1cc(Cl)cc(/C=C/c2ccc3cccc(OC(C)=O)c3n2)c1OC(C)=O ZINC000004907355 557612143 /nfs/dbraw/zinc/61/21/43/557612143.db2.gz GICBWHRYKVSOLW-CSKARUKUSA-N 0 0 411.841 4.918 50 0 HJAARN COc1ccc([C@@H]2Cc3[nH]c(C(=O)OCc4ccccc4)c(C)c3C(=O)C2)cc1OC ZINC000004911502 557612617 /nfs/dbraw/zinc/61/26/17/557612617.db2.gz WFNODYCCQXMZGE-GOSISDBHSA-N 0 0 419.477 4.610 50 0 HJAARN COc1ccc([C@H]2Cc3[nH]c(C(=O)OCc4ccccc4)c(C)c3C(=O)C2)cc1OC ZINC000004911498 557612690 /nfs/dbraw/zinc/61/26/90/557612690.db2.gz WFNODYCCQXMZGE-SFHVURJKSA-N 0 0 419.477 4.610 50 0 HJAARN CCOc1cc(-c2nn3c(nnc3-c3ccoc3C)s2)cc(OCC)c1OCC ZINC000004938940 557615034 /nfs/dbraw/zinc/61/50/34/557615034.db2.gz UBFXZURWAWEPMO-UHFFFAOYSA-N 0 0 414.487 4.617 50 0 HJAARN CCCOc1cccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2OC)c1 ZINC000004973346 557618856 /nfs/dbraw/zinc/61/88/56/557618856.db2.gz RVRCCDMCQUDIOK-UHFFFAOYSA-N 0 0 403.438 4.940 50 0 HJAARN CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4cc5ccccc5o4)c3)nn12 ZINC000005002212 557623972 /nfs/dbraw/zinc/62/39/72/557623972.db2.gz ODDBWMWJFUWXMN-UHFFFAOYSA-N 0 0 403.467 4.722 50 0 HJAARN Cc1ccc(C)c(-n2c(N)c(C(=O)NCCC(C)C)c3nc4ccccc4nc32)c1 ZINC000005029871 557628016 /nfs/dbraw/zinc/62/80/16/557628016.db2.gz UKCPVMAYNHIRPJ-UHFFFAOYSA-N 0 0 401.514 4.549 50 0 HJAARN O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2ccccc2)c(Br)c1 ZINC000005046843 557629549 /nfs/dbraw/zinc/62/95/49/557629549.db2.gz DLPSCFZMDXUUJC-UHFFFAOYSA-N 0 0 409.283 4.883 50 0 HJAARN CCOC(=O)c1c2c(sc1NC(=S)NCc1ccccc1)CO[C@@](C)(CC)C2 ZINC000005093301 557635133 /nfs/dbraw/zinc/63/51/33/557635133.db2.gz XQDFRNSGBXBAJU-NRFANRHFSA-N 0 0 418.584 4.653 50 0 HJAARN Cc1cc2c(oc(=O)n2C2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)c(C)c1 ZINC000022652633 557639410 /nfs/dbraw/zinc/63/94/10/557639410.db2.gz WRENQWXZBKTGSA-UHFFFAOYSA-N 0 0 419.308 4.995 50 0 HJAARN CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2)sc2c1CC[C@@H](CC)C2 ZINC000022654314 557655328 /nfs/dbraw/zinc/65/53/28/557655328.db2.gz ZGFWMZIRKLNRTI-LSDHHAIUSA-N 0 0 401.528 4.846 50 0 HJAARN CCN1c2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)c3cccc(c23)C1=O ZINC000005553533 557661593 /nfs/dbraw/zinc/66/15/93/557661593.db2.gz VRUVCMPHSAZOMQ-UHFFFAOYSA-N 0 0 400.887 4.583 50 0 HJAARN COC(=O)c1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4)=NN32)cc1 ZINC000005676396 557668358 /nfs/dbraw/zinc/66/83/58/557668358.db2.gz FQFSWMFYGOCLPN-QPPBQGQZSA-N 0 0 414.461 4.724 50 0 HJAARN COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc3c(c2)oc2ccccc23)c1 ZINC000005986190 557683416 /nfs/dbraw/zinc/68/34/16/557683416.db2.gz QQXVINNARABQBO-UHFFFAOYSA-N 0 0 406.463 4.730 50 0 HJAARN C[C@@H]1CCc2c(sc(NC(=O)c3ccc(OCc4ccccc4)cc3)c2C(N)=O)C1 ZINC000006201407 557693918 /nfs/dbraw/zinc/69/39/18/557693918.db2.gz KRPJSHRQZJRMCH-OAHLLOKOSA-N 0 0 420.534 4.803 50 0 HJAARN CCOc1ccc(NC(=O)CSc2cc(C)nc3c(-c4ccccc4)cnn32)cc1 ZINC000002372759 557699874 /nfs/dbraw/zinc/69/98/74/557699874.db2.gz WXHLFYYHFURKDY-UHFFFAOYSA-N 0 0 418.522 4.834 50 0 HJAARN COCc1cc(C)nc2sc(C(=O)Nc3ccc(Br)c(C)c3)c(N)c21 ZINC000006430081 557702240 /nfs/dbraw/zinc/70/22/40/557702240.db2.gz KONQNCPORTZQIS-UHFFFAOYSA-N 0 0 420.332 4.657 50 0 HJAARN CC(C)OCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Cl)c1 ZINC000002434093 557711485 /nfs/dbraw/zinc/71/14/85/557711485.db2.gz NUZUUIJWCULDDR-FQEVSTJZSA-N 0 0 411.885 4.807 50 0 HJAARN CN(Cc1ccccc1)C(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000006759417 557719694 /nfs/dbraw/zinc/71/96/94/557719694.db2.gz AMCVOTITKUZUKX-OALUTQOASA-N 0 0 414.431 4.816 50 0 HJAARN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(F)cccc3Cl)C2=O)cc1C ZINC000006858774 557727023 /nfs/dbraw/zinc/72/70/23/557727023.db2.gz KKBLSBDELRLZRI-RQZCQDPDSA-N 0 0 418.877 4.771 50 0 HJAARN Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2ccc(F)cc2)C3=O)cc1 ZINC000006997155 557732716 /nfs/dbraw/zinc/73/27/16/557732716.db2.gz WZPMCCOSAGOXKC-XMMPIXPASA-N 0 0 418.493 4.614 50 0 HJAARN Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2ccccc2)C3=O)cc1F ZINC000006997026 557732720 /nfs/dbraw/zinc/73/27/20/557732720.db2.gz IXNIICQIVOEAIR-XMMPIXPASA-N 0 0 418.493 4.614 50 0 HJAARN COc1cccc(-n2c(=O)c3ccccc3nc2SCc2ccc(OC)c(F)c2)c1 ZINC000002618401 557735895 /nfs/dbraw/zinc/73/58/95/557735895.db2.gz UHPZJUUOHNGZGE-UHFFFAOYSA-N 0 0 422.481 4.834 50 0 HJAARN CSCC[C@H](NC(=O)c1c(C)onc1-c1ccccc1)c1nc2ccccc2[nH]1 ZINC000002651952 557739293 /nfs/dbraw/zinc/73/92/93/557739293.db2.gz NEZOCQQAKXIRSG-SFHVURJKSA-N 0 0 406.511 4.751 50 0 HJAARN CCc1cccc(C)c1N(C(=O)CSc1nc2cc(C)ccc2[nH]1)[C@H](C)COC ZINC000002666057 557740886 /nfs/dbraw/zinc/74/08/86/557740886.db2.gz GSYKRHBKHPBDPE-QGZVFWFLSA-N 0 0 411.571 4.902 50 0 HJAARN COc1ccc2c(c1)c(=O)c(C(=O)c1ccc(F)cc1)cn2Cc1cccc(C)c1 ZINC000002690299 557742043 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Cc1nn(CCCn2c(=O)c3ccccc3nc2SCc2ccccc2)cc1Cl ZINC000002733875 557755157 /nfs/dbraw/zinc/75/51/57/557755157.db2.gz WOGNIVWKEZTREW-UHFFFAOYSA-N 0 0 424.957 4.937 50 0 HJAARN CCc1ccc(OCc2ccc(C(=O)Nc3ccn(Cc4ccccc4)n3)o2)cc1 ZINC000002743625 557756551 /nfs/dbraw/zinc/75/65/51/557756551.db2.gz STQOYCJLXYKKSI-UHFFFAOYSA-N 0 0 401.466 4.918 50 0 HJAARN COc1ccc(C(=O)Nc2scc(-c3ccc(CC(C)C)cc3)c2C(N)=O)cc1 ZINC000002783148 557758776 /nfs/dbraw/zinc/75/87/76/557758776.db2.gz PCGAUECLNCFDHO-UHFFFAOYSA-N 0 0 408.523 4.973 50 0 HJAARN O=C(c1cc(Br)ccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 ZINC000002776146 557760739 /nfs/dbraw/zinc/76/07/39/557760739.db2.gz WXTPRKCPEMROKL-UHFFFAOYSA-N 0 0 414.130 4.718 50 0 HJAARN Cn1ncc2c3nc(-c4cccc(COc5ccc(C(C)(C)C)cc5)c4)nn3cnc21 ZINC000002802758 557763045 /nfs/dbraw/zinc/76/30/45/557763045.db2.gz CDMRBCMVSXQUAM-UHFFFAOYSA-N 0 0 412.497 4.555 50 0 HJAARN COc1ccc([C@@H]2Oc3ccccc3C3=Nc4ncnn4[C@H](c4ccc(C)cc4)C32)cc1 ZINC000002915196 557769681 /nfs/dbraw/zinc/76/96/81/557769681.db2.gz RYTVXORPJAHTBO-RPBOFIJWSA-N 0 0 422.488 4.808 50 0 HJAARN COc1ccccc1Cn1c(=O)c2ccccc2nc1SCc1ccccc1F ZINC000002969991 557774857 /nfs/dbraw/zinc/77/48/57/557774857.db2.gz VCFWPJNSQHLROC-UHFFFAOYSA-N 0 0 406.482 4.885 50 0 HJAARN COc1ccccc1C(=O)N[C@H](Nc1ccc(C)cc1C)C(Cl)(Cl)Cl ZINC000003014745 557779536 /nfs/dbraw/zinc/77/95/36/557779536.db2.gz WQFDTJNZFNOAAM-KRWDZBQOSA-N 0 0 401.721 4.850 50 0 HJAARN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C1=O ZINC000008396219 557785916 /nfs/dbraw/zinc/78/59/16/557785916.db2.gz HLVPHXAROIRXIE-NTEUORMPSA-N 0 0 423.899 4.684 50 0 HJAARN COc1ccc(-n2nc3ccc(NC(=O)c4cc5ccccc5cc4OC)cc3n2)cc1 ZINC000008448801 557790495 /nfs/dbraw/zinc/79/04/95/557790495.db2.gz JYSXSWJSVIQCAS-UHFFFAOYSA-N 0 0 424.460 4.843 50 0 HJAARN CCOc1ccc(CCNc2ncnc3onc(-c4ccc(F)cc4)c32)cc1OCC ZINC000008583786 557795770 /nfs/dbraw/zinc/79/57/70/557795770.db2.gz AHKGEUGSYCYBEP-UHFFFAOYSA-N 0 0 422.460 4.876 50 0 HJAARN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(OC(C)C)cc1 ZINC000008590958 557796065 /nfs/dbraw/zinc/79/60/65/557796065.db2.gz HCCQFMGWPPTGQL-UHFFFAOYSA-N 0 0 404.445 4.908 50 0 HJAARN COc1ccc(/C=C/c2nn3c(nnc3-c3cccc(Br)c3)s2)cc1 ZINC000008763717 557805876 /nfs/dbraw/zinc/80/58/76/557805876.db2.gz KAVRAVZVQUSWAS-JXMROGBWSA-N 0 0 413.300 4.794 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)/C(=C/c1cccnc1)NC(=O)c1cccs1 ZINC000009082845 557821809 /nfs/dbraw/zinc/82/18/09/557821809.db2.gz OMEOJOBIFZVGMR-YBEGLDIGSA-N 0 0 417.412 4.572 50 0 HJAARN CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)cc1 ZINC000009198982 557828602 /nfs/dbraw/zinc/82/86/02/557828602.db2.gz FBBLKZFUOOPDOW-GOSISDBHSA-N 0 0 423.944 4.974 50 0 HJAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000009226928 557830606 /nfs/dbraw/zinc/83/06/06/557830606.db2.gz SKVDCOUDHMFXFY-LLVKDONJSA-N 0 0 416.321 4.716 50 0 HJAARN O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccc2c(c1)OCCO2 ZINC000009289618 557834756 /nfs/dbraw/zinc/83/47/56/557834756.db2.gz KMUSXPCHHBJYTM-UHFFFAOYSA-N 0 0 423.277 4.790 50 0 HJAARN Cc1ccccc1OCCCC(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000009319424 557836619 /nfs/dbraw/zinc/83/66/19/557836619.db2.gz NQXRBJCHVUICTB-UHFFFAOYSA-N 0 0 401.919 4.888 50 0 HJAARN CCOC(=O)c1cnc2nc(SCc3ccc(Cl)cc3)nn2c1-c1ccccc1 ZINC000009340762 557837925 /nfs/dbraw/zinc/83/79/25/557837925.db2.gz RUDXZDUXVQDOEB-UHFFFAOYSA-N 0 0 424.913 4.914 50 0 HJAARN CCc1nc2sc([C@@H](c3ccc(C(F)(F)F)cc3)[NH+]3CCCCC3)c([O-])n2n1 ZINC000022853100 557839994 /nfs/dbraw/zinc/83/99/94/557839994.db2.gz VJBPNYPKZVWOSQ-OAHLLOKOSA-N 0 0 410.465 4.653 50 0 HJAARN CC(C)Cc1ccc([C@@H](C)c2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1 ZINC000009423772 557842469 /nfs/dbraw/zinc/84/24/69/557842469.db2.gz AKHFTGXYOAJGLP-MRXNPFEDSA-N 0 0 416.554 4.934 50 0 HJAARN CCn1c(=S)n2c(c1OCc1cccc(C)c1)Cc1cc(OC)c(OC)cc1C2 ZINC000009482377 557843837 /nfs/dbraw/zinc/84/38/37/557843837.db2.gz BIWLEAUDTBAJGS-UHFFFAOYSA-N 0 0 410.539 4.896 50 0 HJAARN CCc1cccc2sc(N(C[C@H]3CCCO3)C(=O)COc3ccc(F)cc3)nc21 ZINC000022889172 557847246 /nfs/dbraw/zinc/84/72/46/557847246.db2.gz LOHAIQFWSCUCKL-GOSISDBHSA-N 0 0 414.502 4.589 50 0 HJAARN CCc1ccc(Nc2ncc3c(n2)C[C@H](c2ccc(OC)c(OC)c2)CC3=O)cc1 ZINC000009935767 557851987 /nfs/dbraw/zinc/85/19/87/557851987.db2.gz SXFVDBFXDGASHT-KRWDZBQOSA-N 0 0 403.482 4.713 50 0 HJAARN COc1cc(C=O)cc(Br)c1OCCOc1cccc(C(F)(F)F)c1 ZINC000010110153 557855017 /nfs/dbraw/zinc/85/50/17/557855017.db2.gz PZQNQTSVTOVKCQ-UHFFFAOYSA-N 0 0 419.193 4.747 50 0 HJAARN Cc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3ccccc3F)c2c1 ZINC000010272808 557857888 /nfs/dbraw/zinc/85/78/88/557857888.db2.gz HEGQIXYOIGIDAD-UHFFFAOYSA-N 0 0 415.468 4.700 50 0 HJAARN COc1ccc(OC)c2sc(NC(=O)COc3ccc(Cl)cc3Cl)nc21 ZINC000004331159 558262911 /nfs/dbraw/zinc/26/29/11/558262911.db2.gz AQNFFOSBIRGSFU-UHFFFAOYSA-N 0 0 413.282 4.638 50 0 HJAARN C[C@H](CCCC(C)(C)O)NC(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12 ZINC000011664827 558268461 /nfs/dbraw/zinc/26/84/61/558268461.db2.gz SOTDDTLICIBCOW-CYBMUJFWSA-N 0 0 405.951 4.776 50 0 HJAARN CCN1c2ccc(S(=O)(=O)Oc3cccc4ccccc43)c3cccc(c23)C1=O ZINC000011691597 558269926 /nfs/dbraw/zinc/26/99/26/558269926.db2.gz ISHUCUCPACPFJS-UHFFFAOYSA-N 0 0 403.459 4.741 50 0 HJAARN Cc1cc(C(=O)N2CCC[C@H](C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)nc(C)n1 ZINC000011702212 558270476 /nfs/dbraw/zinc/27/04/76/558270476.db2.gz WNGZXVXLTBXIAU-FQEVSTJZSA-N 0 0 417.484 4.635 50 0 HJAARN CCN(Cc1ccccc1)C(=O)c1cc(COc2ccc(Cl)cc2OC)on1 ZINC000011717435 558271666 /nfs/dbraw/zinc/27/16/66/558271666.db2.gz QYWMYGWOHCFQLX-UHFFFAOYSA-N 0 0 400.862 4.578 50 0 HJAARN CCOc1ccc(CN2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019790152 558282210 /nfs/dbraw/zinc/28/22/10/558282210.db2.gz RAMRQGODRLZYDI-UHFFFAOYSA-N 0 0 414.549 4.562 50 0 HJAARN COc1ccccc1/C=C/C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019799062 558285126 /nfs/dbraw/zinc/28/51/26/558285126.db2.gz JKLFYHRRSWKLMW-WUKNDPDISA-N 0 0 412.533 4.642 50 0 HJAARN COc1ccc(-c2nc(CN3CCC([C@H](O)c4cccs4)CC3)c(C)o2)cc1C ZINC000011873105 558290974 /nfs/dbraw/zinc/29/09/74/558290974.db2.gz RQKFMTLACQPSMS-QFIPXVFZSA-N 0 0 412.555 4.974 50 0 HJAARN COCCc1nc2ccc(C(=O)N3CCc4c5ccccc5[nH]c4[C@@H]3C(C)C)cc2o1 ZINC000011873668 558291439 /nfs/dbraw/zinc/29/14/39/558291439.db2.gz BDENZZSKHMMAME-DEOSSOPVSA-N 0 0 417.509 4.894 50 0 HJAARN COC(=O)c1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 ZINC000019833826 558292273 /nfs/dbraw/zinc/29/22/73/558292273.db2.gz FQFSWMFYGOCLPN-XUZZJYLKSA-N 0 0 414.461 4.724 50 0 HJAARN COc1cccc(-c2nc(CN(C)[C@@H](C)c3ccc4c(c3)OCCO4)c(C)o2)c1OC ZINC000019839172 558293274 /nfs/dbraw/zinc/29/32/74/558293274.db2.gz MMORXGKOSILCDL-HNNXBMFYSA-N 0 0 424.497 4.631 50 0 HJAARN CC(=O)c1cccc(OCc2cc(C(=O)N[C@H](c3ccco3)c3ccccc3)no2)c1 ZINC000011879906 558294535 /nfs/dbraw/zinc/29/45/35/558294535.db2.gz BWVKRDHIOLLGPA-QHCPKHFHSA-N 0 0 416.433 4.569 50 0 HJAARN O=C(Nc1ccccc1)OCC12CO[C@H](c3ccccc3)N1[C@@H](c1ccccc1)OC2 ZINC000019855714 558296461 /nfs/dbraw/zinc/29/64/61/558296461.db2.gz PYYKMQXZDSPOMH-DHIUTWEWSA-N 0 0 416.477 4.734 50 0 HJAARN O=C(c1ccc2c(c1)OCO2)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1F ZINC000011933520 558298224 /nfs/dbraw/zinc/29/82/24/558298224.db2.gz JKPQFBZWDFPFIB-DEOSSOPVSA-N 0 0 414.436 4.824 50 0 HJAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3ccc(C)s3)C2)cc1Cl ZINC000011949341 558302520 /nfs/dbraw/zinc/30/25/20/558302520.db2.gz ZHPHWYNQOJZHSL-HNNXBMFYSA-N 0 0 420.962 4.990 50 0 HJAARN COc1ccc(NC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019907610 558305865 /nfs/dbraw/zinc/30/58/65/558305865.db2.gz OXJSFQMQTLUGIC-UHFFFAOYSA-N 0 0 417.578 4.799 50 0 HJAARN Cc1ccc[nH+]c1[N-][C@@]1(C(F)(F)F)N=C(c2ccccc2)N(C2CCCCC2)C1=O ZINC000019939516 558313391 /nfs/dbraw/zinc/31/33/91/558313391.db2.gz WFOGCQNEPSVXSQ-OAQYLSRUSA-N 0 0 416.447 4.682 50 0 HJAARN CCc1cc(C(=O)N2CCC[C@@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)no1 ZINC000012075775 558319668 /nfs/dbraw/zinc/31/96/68/558319668.db2.gz MSWUINBKCVSHBL-GOSISDBHSA-N 0 0 404.466 4.764 50 0 HJAARN CSc1nccc(N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)n1 ZINC000020031230 558324487 /nfs/dbraw/zinc/32/44/87/558324487.db2.gz ZGSSHGJLQVNDHP-OAQYLSRUSA-N 0 0 410.974 4.764 50 0 HJAARN O=C(Nc1cccc(C(=O)NC[C@H]2CCCO2)c1)c1sc2ccccc2c1Cl ZINC000012138589 558334361 /nfs/dbraw/zinc/33/43/61/558334361.db2.gz USJLKZCURJXTOG-OAHLLOKOSA-N 0 0 414.914 4.716 50 0 HJAARN Cc1ccccc1-n1c(CNC(=O)C(C)C)nnc1SCc1ccccc1Cl ZINC000012151704 558339140 /nfs/dbraw/zinc/33/91/40/558339140.db2.gz FLFAVIUMFNODBQ-UHFFFAOYSA-N 0 0 414.962 4.794 50 0 HJAARN COc1cc(-c2nc(CN(C)[C@H](C)c3nc(C)sc3C)c(C)o2)cc2c1OCO2 ZINC000020167413 558342929 /nfs/dbraw/zinc/34/29/29/558342929.db2.gz DRKFCQYVCYENGP-LLVKDONJSA-N 0 0 415.515 4.654 50 0 HJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000010677910 558347514 /nfs/dbraw/zinc/34/75/14/558347514.db2.gz NPHSAMNWVXJGFA-CQSZACIVSA-N 0 0 404.297 4.605 50 0 HJAARN Cc1ccc(-n2ncc3c2CCC[C@H]3NC(=O)Cc2cn(C)c3ccccc23)cc1C ZINC000012195203 558349117 /nfs/dbraw/zinc/34/91/17/558349117.db2.gz ITUHNDBUVIVRAM-HSZRJFAPSA-N 0 0 412.537 4.717 50 0 HJAARN COc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4cccc(OC)c4)=NN32)cc1 ZINC000012196668 558349771 /nfs/dbraw/zinc/34/97/71/558349771.db2.gz STCGKIDPWPTCEK-RCZVLFRGSA-N 0 0 416.477 4.955 50 0 HJAARN COc1cccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2cccc(OC)c2)c1 ZINC000012196657 558349782 /nfs/dbraw/zinc/34/97/82/558349782.db2.gz AVOOUKXSTYTVLC-RCZVLFRGSA-N 0 0 416.477 4.955 50 0 HJAARN CCOc1cccc2c1O[C@H](c1ccc(C(=O)OC)cc1)N1N=C(c3ccco3)C[C@@H]21 ZINC000012196512 558349805 /nfs/dbraw/zinc/34/98/05/558349805.db2.gz NSHDOYBCZMSNMP-WMZHIEFXSA-N 0 0 418.449 4.707 50 0 HJAARN CSc1nc2sc3c(c2c(N2CCC(Cc4ccccc4)CC2)n1)CCN(C)C3 ZINC000020394855 558359581 /nfs/dbraw/zinc/35/95/81/558359581.db2.gz TWXXYAADEDOHTD-UHFFFAOYSA-N 0 0 424.639 4.860 50 0 HJAARN Cc1cccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1C ZINC000020417912 558361003 /nfs/dbraw/zinc/36/10/03/558361003.db2.gz DSTMJJLMPKBYRF-UHFFFAOYSA-N 0 0 411.552 4.913 50 0 HJAARN CC(C)Cc1ccc(C(=O)[C@@H](C)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000020421557 558361917 /nfs/dbraw/zinc/36/19/17/558361917.db2.gz LQLKKXZJZVVRIS-QGZVFWFLSA-N 0 0 419.491 4.692 50 0 HJAARN Cc1csc(-c2ccc(C(=O)N[C@H](C)c3nc4ccccc4[nH]3)c(N(C)C)n2)c1 ZINC000020451907 558366119 /nfs/dbraw/zinc/36/61/19/558366119.db2.gz VEGAFRMAMUQCJP-CQSZACIVSA-N 0 0 405.527 4.552 50 0 HJAARN O=C(NC1(c2ccccc2)CC1)c1cc(COc2cccc(C(F)(F)F)c2)on1 ZINC000012297362 558367267 /nfs/dbraw/zinc/36/72/67/558367267.db2.gz NUWNCTGDGMDSCA-UHFFFAOYSA-N 0 0 402.372 4.692 50 0 HJAARN CN(CCOc1ccccc1)C(=O)c1csc2nc(-c3ccccc3Cl)cn12 ZINC000012299777 558369670 /nfs/dbraw/zinc/36/96/70/558369670.db2.gz DYXRHZRXQRAFIV-UHFFFAOYSA-N 0 0 411.914 4.867 50 0 HJAARN Cc1csc(CN(C)C(=O)c2csc3nc(-c4cccc(Cl)c4)cn23)n1 ZINC000012316687 558379809 /nfs/dbraw/zinc/37/98/09/558379809.db2.gz KCEDEHYUBBJQHM-UHFFFAOYSA-N 0 0 402.932 4.753 50 0 HJAARN CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)Nc1ccc4c(c1)OC1(CCCCC1)O4)(C3)C2 ZINC000012364246 558387632 /nfs/dbraw/zinc/38/76/32/558387632.db2.gz OWHKUDDXJAVMBG-ISVJADKWSA-N 0 0 424.541 4.532 50 0 HJAARN O=C1C[C@H](c2ccccc2)c2scc(S(=O)(=O)c3ccc(Cl)cc3)c2N1 ZINC000012376145 558392089 /nfs/dbraw/zinc/39/20/89/558392089.db2.gz UAUXFRFNBXBZAZ-OAHLLOKOSA-N 0 0 403.912 4.708 50 0 HJAARN COc1ccccc1-n1ccc2c(cnc3c(-c4ccc(Cl)cc4)c(C)nn32)c1=O ZINC000012388999 558396714 /nfs/dbraw/zinc/39/67/14/558396714.db2.gz NDUVIKXBDIRSOI-UHFFFAOYSA-N 0 0 416.868 4.671 50 0 HJAARN COc1ccc(S(=O)(=O)c2c(C)c(C)n(C3CCCC3)c2NC(=O)C(C)C)cc1 ZINC000012408437 558399492 /nfs/dbraw/zinc/39/94/92/558399492.db2.gz HVBXOMHGOUBFKC-UHFFFAOYSA-N 0 0 418.559 4.656 50 0 HJAARN CC(=O)c1cccc(NC(=O)[C@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)cnn32)c1 ZINC000020718004 558402047 /nfs/dbraw/zinc/40/20/47/558402047.db2.gz DWHUJQGWGLBACA-GOSISDBHSA-N 0 0 408.845 4.578 50 0 HJAARN COCCCNc1oc(-c2ccccc2C)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000012419175 558403031 /nfs/dbraw/zinc/40/30/31/558403031.db2.gz YYQFSHKHZAXENN-UHFFFAOYSA-N 0 0 420.918 4.585 50 0 HJAARN O=C(NCc1ccco1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 ZINC000020732424 558406841 /nfs/dbraw/zinc/40/68/41/558406841.db2.gz OIYZCKSUIKVDIY-QFIPXVFZSA-N 0 0 406.526 4.781 50 0 HJAARN CN(Cc1cccc(Cl)c1)C(=O)c1coc(COc2ccc3ncccc3c2)n1 ZINC000012434551 558408250 /nfs/dbraw/zinc/40/82/50/558408250.db2.gz GOMIMRUNPYRITI-UHFFFAOYSA-N 0 0 407.857 4.727 50 0 HJAARN CC(=O)c1ccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccccn2)s1 ZINC000012434578 558408260 /nfs/dbraw/zinc/40/82/60/558408260.db2.gz HAOORULJXIODMY-JOCHJYFZSA-N 0 0 401.491 4.615 50 0 HJAARN CCCCN1c2ccccc2[C@]2(CC(=O)Nc3c2cnn3-c2ccc(Cl)cc2)C1=O ZINC000020745777 558410766 /nfs/dbraw/zinc/41/07/66/558410766.db2.gz TUMPWUVMRHKMNX-QHCPKHFHSA-N 0 0 420.900 4.950 50 0 HJAARN Cc1cc2cccc(C(=O)N[C@H]3CCCN(c4ccc(C(F)(F)F)cn4)C3)c2o1 ZINC000020783771 558413558 /nfs/dbraw/zinc/41/35/58/558413558.db2.gz CBVHSDXIHOMHPW-INIZCTEOSA-N 0 0 403.404 4.554 50 0 HJAARN O=C(c1cc(COc2cccc3cccnc32)on1)N1CC[C@H](C2CCCCC2)C1 ZINC000012458131 558418226 /nfs/dbraw/zinc/41/82/26/558418226.db2.gz JLXSHTPTJFPLOJ-IBGZPJMESA-N 0 0 405.498 4.844 50 0 HJAARN CCOc1ccc(Oc2ccccc2NC(=O)CNC(=O)c2ccc(C)s2)cc1 ZINC000021049018 558430399 /nfs/dbraw/zinc/43/03/99/558430399.db2.gz WTYQQGRIOFQNPI-UHFFFAOYSA-N 0 0 410.495 4.616 50 0 HJAARN Cc1nc(CC(=O)OCC(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)cs1 ZINC000021235761 558434232 /nfs/dbraw/zinc/43/42/32/558434232.db2.gz LXWHZWVCCWLZKE-UHFFFAOYSA-N 0 0 423.538 4.722 50 0 HJAARN Cc1ncsc1C(=O)N1CCC(C(=O)Nc2ccc(-c3cccc(C)c3)cc2)CC1 ZINC000012587751 558434601 /nfs/dbraw/zinc/43/46/01/558434601.db2.gz RTOPZEUSPKAAOT-UHFFFAOYSA-N 0 0 419.550 4.918 50 0 HJAARN COc1ccccc1CCC(=O)N[C@@H]1CCCc2c1cnn2-c1cc(C)cc(C)c1 ZINC000012588644 558435080 /nfs/dbraw/zinc/43/50/80/558435080.db2.gz CYPGZGGZYBDIMN-JOCHJYFZSA-N 0 0 403.526 4.624 50 0 HJAARN CC(=O)N[C@@H](CC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1)c1cccs1 ZINC000021309657 558435353 /nfs/dbraw/zinc/43/53/53/558435353.db2.gz WRAIHIFOIMRUFC-FQEVSTJZSA-N 0 0 421.522 4.515 50 0 HJAARN COc1ccc(CCC(=O)N2CCC[C@@H](C(=O)c3ccc4ccccc4c3)C2)cc1 ZINC000012593292 558436321 /nfs/dbraw/zinc/43/63/21/558436321.db2.gz LFSZZUOXXRMKQW-HSZRJFAPSA-N 0 0 401.506 4.903 50 0 HJAARN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000012603875 558438669 /nfs/dbraw/zinc/43/86/69/558438669.db2.gz CVQCUGIJEZDUSL-ROUUACIJSA-N 0 0 400.272 4.921 50 0 HJAARN O=C(CC1CCCC1)Nc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000004354035 558439755 /nfs/dbraw/zinc/43/97/55/558439755.db2.gz DRYIAVXDCKJWJW-UHFFFAOYSA-N 0 0 406.438 4.933 50 0 HJAARN O=C(c1cc(-c2ccc3c(c2)OCCO3)on1)N(Cc1ccco1)Cc1ccccc1 ZINC000021524228 558440346 /nfs/dbraw/zinc/44/03/46/558440346.db2.gz KETXSEDICQKODS-UHFFFAOYSA-N 0 0 416.433 4.548 50 0 HJAARN O=C(Cn1c2ccccc2nc1-c1cscn1)NCc1ccc(Cl)cc1Cl ZINC000012628335 558440819 /nfs/dbraw/zinc/44/08/19/558440819.db2.gz JEJQILDWUIFEKG-UHFFFAOYSA-N 0 0 417.321 4.783 50 0 HJAARN CCOc1ccc(-c2ccc(SCC(=O)Nc3ccc(F)c(F)c3)nn2)cc1 ZINC000004355990 558443433 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CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)c2ccc(C)s2)CC1 ZINC000012708949 558451381 /nfs/dbraw/zinc/45/13/81/558451381.db2.gz CJZLXFCUZOHUTL-UHFFFAOYSA-N 0 0 405.947 4.738 50 0 HJAARN CC[C@H](NC(=O)CCc1nnc(Cc2c[nH]c3ccccc23)o1)c1ccc(C)cc1 ZINC000012711621 558452660 /nfs/dbraw/zinc/45/26/60/558452660.db2.gz QKURFWIVKGNGQH-FQEVSTJZSA-N 0 0 402.498 4.650 50 0 HJAARN O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)c1ccc2c(c1)NC(=O)CCS2 ZINC000010810795 558457374 /nfs/dbraw/zinc/45/73/74/558457374.db2.gz QFBCMUYTQIGNAX-UHFFFAOYSA-N 0 0 412.898 4.964 50 0 HJAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc(C)n(Cc3ccco3)c2C)c1 ZINC000022008382 558457480 /nfs/dbraw/zinc/45/74/80/558457480.db2.gz NVNQGALJPSNCMD-QFIPXVFZSA-N 0 0 408.498 4.741 50 0 HJAARN Cc1cccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OCc2ccccc2)c1 ZINC000022033037 558459211 /nfs/dbraw/zinc/45/92/11/558459211.db2.gz WTBCIBUBSUMFGB-QHCPKHFHSA-N 0 0 400.478 4.697 50 0 HJAARN C[C@@H](Oc1ccccc1)c1nc2ccccc2n1C[C@@H](O)COCc1cccs1 ZINC000022081423 558462986 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Cc1cc(C)cc(C(=O)NCCc2csc3nc(-c4ccc(Cl)cc4)nn23)c1 ZINC000004374675 558475447 /nfs/dbraw/zinc/47/54/47/558475447.db2.gz YMJHLDCFKWTBIC-UHFFFAOYSA-N 0 0 410.930 4.701 50 0 HJAARN Cc1nn(C)c2ncc(NC(=O)c3ccccc3OCc3ccc(Cl)cc3)cc12 ZINC000012819868 558476664 /nfs/dbraw/zinc/47/66/64/558476664.db2.gz PRKSOPJDOKDFFI-UHFFFAOYSA-N 0 0 406.873 4.761 50 0 HJAARN O=C(CCc1ncc(-c2ccccc2F)o1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000022326387 558478358 /nfs/dbraw/zinc/47/83/58/558478358.db2.gz BUAIARWWGYEFBO-LJQANCHMSA-N 0 0 422.456 4.548 50 0 HJAARN COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCCC[C@@H]4C)c3N2)c1 ZINC000012844973 558478711 /nfs/dbraw/zinc/47/87/11/558478711.db2.gz TYPHZDMKCNQLCF-KKXDTOCCSA-N 0 0 422.451 4.567 50 0 HJAARN Cc1nc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)c(C(N)=O)c(C)c1C ZINC000012927362 558486446 /nfs/dbraw/zinc/48/64/46/558486446.db2.gz VAPGESZWQUNXJY-UHFFFAOYSA-N 0 0 421.522 4.629 50 0 HJAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1Cc1cccnc1 ZINC000012952887 558488091 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Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(NC(=O)C3CC3)cc2)c(Br)c1 ZINC000010842448 558498345 /nfs/dbraw/zinc/49/83/45/558498345.db2.gz PJVGWFNXEMTNAM-CYBMUJFWSA-N 0 0 416.319 4.545 50 0 HJAARN C[C@@H](OC(=O)c1ccc(SCc2cscn2)cc1)c1nc2ccccc2c(=O)[nH]1 ZINC000012996929 558498849 /nfs/dbraw/zinc/49/88/49/558498849.db2.gz RHQKKRIDUVLRPD-CYBMUJFWSA-N 0 0 423.519 4.590 50 0 HJAARN CC(C)(C)c1cc(NC(=O)c2cncc(Br)c2)n(Cc2ccccc2)n1 ZINC000013002092 558500942 /nfs/dbraw/zinc/50/09/42/558500942.db2.gz YXVXJKAADAQLSD-UHFFFAOYSA-N 0 0 413.319 4.639 50 0 HJAARN O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccccc1I ZINC000013004474 558501512 /nfs/dbraw/zinc/50/15/12/558501512.db2.gz IAKSMLKDECTBAA-MRXNPFEDSA-N 0 0 411.670 4.826 50 0 HJAARN O=C(Cn1c(=O)oc2ccccc21)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000022617957 558502782 /nfs/dbraw/zinc/50/27/82/558502782.db2.gz IQQBXSPDIXTZEM-UHFFFAOYSA-N 0 0 401.447 4.510 50 0 HJAARN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(Cc2ccccc2F)CC1 ZINC000022789298 558511551 /nfs/dbraw/zinc/51/15/51/558511551.db2.gz VNNIZKVVMXJMLO-HXUWFJFHSA-N 0 0 417.528 4.638 50 0 HJAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000013128810 558519513 /nfs/dbraw/zinc/51/95/13/558519513.db2.gz GLSHSDZLWUNBMW-IBGZPJMESA-N 0 0 424.526 4.670 50 0 HJAARN COc1ccccc1Nc1nnc(S[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)s1 ZINC000013137785 558521424 /nfs/dbraw/zinc/52/14/24/558521424.db2.gz YBJBOEXIGFMSDN-LXTVHRRPSA-N 0 0 420.604 4.712 50 0 HJAARN C[C@H](Sc1nnc(C(F)(F)F)n1C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000013141239 558522157 /nfs/dbraw/zinc/52/21/57/558522157.db2.gz LBESYRQCCQTZNA-LBPRGKRZSA-N 0 0 422.432 4.746 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)Nc1c(Cl)cccc1Cl ZINC000013145341 558522717 /nfs/dbraw/zinc/52/27/17/558522717.db2.gz UGMXYBMQZHVCCX-UHFFFAOYSA-N 0 0 418.280 4.591 50 0 HJAARN COc1cc(Cl)c(C)cc1NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000013145971 558522966 /nfs/dbraw/zinc/52/29/66/558522966.db2.gz LUVMZTYRUHNQSN-UHFFFAOYSA-N 0 0 420.852 4.710 50 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CCLYAYBPDOOIMR-UHFFFAOYSA-N 0 0 407.568 4.964 50 0 HJAARN Cc1cc(-c2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)n2C)cs1 ZINC000017089134 558817753 /nfs/dbraw/zinc/81/77/53/558817753.db2.gz YJCNALRNFGTGFG-UHFFFAOYSA-N 0 0 412.462 4.602 50 0 HJAARN Cc1[nH]nc2c1[C@@H](c1ccccc1)c1c3nc(-c4ccccc4Cl)nn3cnc1O2 ZINC000017090132 558818800 /nfs/dbraw/zinc/81/88/00/558818800.db2.gz JFMYGKRTCNBCQT-QGZVFWFLSA-N 0 0 414.856 4.762 50 0 HJAARN Cc1oc(-c2cccc3ccccc32)nc1CN1CCNC(=O)[C@H]1c1cccc(F)c1 ZINC000039516278 558821894 /nfs/dbraw/zinc/82/18/94/558821894.db2.gz WNRNZUGRWNVTGK-HSZRJFAPSA-N 0 0 415.468 4.615 50 0 HJAARN Cc1cccc(-c2noc(-c3cccnc3N3CCN(c4ccccc4F)CC3)n2)c1 ZINC000033004328 558827059 /nfs/dbraw/zinc/82/70/59/558827059.db2.gz IPKLAAAXZITGHW-UHFFFAOYSA-N 0 0 415.472 4.573 50 0 HJAARN COc1cccc(NC(=O)Cc2csc(-n3nc(C)c(CCC(C)C)c3C)n2)c1 ZINC000033004623 558827222 /nfs/dbraw/zinc/82/72/22/558827222.db2.gz ZYKMXXQBDSLPPI-UHFFFAOYSA-N 0 0 412.559 4.724 50 0 HJAARN O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000033004829 558827310 /nfs/dbraw/zinc/82/73/10/558827310.db2.gz QKCIHKDYTQELNK-JOCHJYFZSA-N 0 0 419.500 4.629 50 0 HJAARN CC(=O)Nc1nc2ccc(NC(=O)Nc3ccccc3Br)cc2s1 ZINC000033008128 558828822 /nfs/dbraw/zinc/82/88/22/558828822.db2.gz AVLCTPOGJDQSIY-UHFFFAOYSA-N 0 0 405.277 4.661 50 0 HJAARN Cc1ccc(NC(=O)C2=C(c3ccccc3)NC(=S)N[C@H]2c2ccc(C)cc2)cc1 ZINC000018093896 558831040 /nfs/dbraw/zinc/83/10/40/558831040.db2.gz XFKPMLMJZTXYPT-QHCPKHFHSA-N 0 0 413.546 4.872 50 0 HJAARN Cc1noc(C)c1COc1ccc(C(=O)OCCOc2ccccc2Cl)cc1 ZINC000004596686 558832974 /nfs/dbraw/zinc/83/29/74/558832974.db2.gz DAQOPYLRDQXMKY-UHFFFAOYSA-N 0 0 401.846 4.760 50 0 HJAARN O=C(Oc1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1)c1ccc(Cl)cc1Cl ZINC000018240981 558834253 /nfs/dbraw/zinc/83/42/53/558834253.db2.gz CXLYDTOYMNAKQT-HOTGVXAUSA-N 0 0 418.276 4.892 50 0 HJAARN COc1cccc(/C=C2\N=C(c3ccc(Cl)cc3)N(c3ccc(O)cc3)C2=O)c1 ZINC000001092299 558835939 /nfs/dbraw/zinc/83/59/39/558835939.db2.gz FQTPXZXJZXXHAM-STZFKDTASA-N 0 0 404.853 4.889 50 0 HJAARN CCC(=O)Nc1nc2cc(NC(=O)c3cc(-c4ccc(CC)cc4)[nH]n3)ccc2s1 ZINC000033020002 558836353 /nfs/dbraw/zinc/83/63/53/558836353.db2.gz HSMLEMRUZFOPOS-UHFFFAOYSA-N 0 0 419.510 4.850 50 0 HJAARN CC(C)c1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2F)s1 ZINC000001131540 558836398 /nfs/dbraw/zinc/83/63/98/558836398.db2.gz NXWJSGCWCQECDS-KRWDZBQOSA-N 0 0 421.453 4.657 50 0 HJAARN COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccccc1C ZINC000046006660 558838883 /nfs/dbraw/zinc/83/88/83/558838883.db2.gz ZLRIUKNGEXKXEP-UHFFFAOYSA-N 0 0 414.509 4.926 50 0 HJAARN Cc1ccc(NC(=O)Cc2c(C)nc3nc(-c4ccccc4)nn3c2C)cc1Cl ZINC000046023779 558839024 /nfs/dbraw/zinc/83/90/24/558839024.db2.gz BQEGIFRQIKCYCE-UHFFFAOYSA-N 0 0 405.889 4.551 50 0 HJAARN Cc1ccc(NC(=O)Cc2c(C)nc3nc(-c4ccccc4Cl)nn3c2C)cc1C ZINC000046023833 558839185 /nfs/dbraw/zinc/83/91/85/558839185.db2.gz XGOHKBVLVDDNDN-UHFFFAOYSA-N 0 0 419.916 4.860 50 0 HJAARN Cc1cccc(NC(=O)Cc2c(C)nc3nc(-c4ccc(Cl)cc4)nn3c2C)c1C ZINC000046023791 558839191 /nfs/dbraw/zinc/83/91/91/558839191.db2.gz ZYNKZYHLDRBIBU-UHFFFAOYSA-N 0 0 419.916 4.860 50 0 HJAARN Cc1ccccc1-c1nc2nc(C)c(CC(=O)Nc3cccc(Cl)c3C)c(C)n2n1 ZINC000046023857 558839228 /nfs/dbraw/zinc/83/92/28/558839228.db2.gz VBWKGCJMQBOXNK-UHFFFAOYSA-N 0 0 419.916 4.860 50 0 HJAARN CC(C)(C)CN(C[C@@H](O)c1ccccc1)C(=O)Nc1ccc(Cn2cccn2)cc1 ZINC000072313624 558840605 /nfs/dbraw/zinc/84/06/05/558840605.db2.gz JJJMAIZAIARPPE-JOCHJYFZSA-N 0 0 406.530 4.545 50 0 HJAARN Cc1ccc(S(=O)(=O)N2CCCc3cc(C(=O)Nc4cccc(F)c4)ccc32)cc1 ZINC000013583675 558845413 /nfs/dbraw/zinc/84/54/13/558845413.db2.gz VASONOGGUIWWOQ-UHFFFAOYSA-N 0 0 424.497 4.528 50 0 HJAARN CC(=O)c1cccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccc(F)cc2)OC3=O)c1 ZINC000033026896 558847945 /nfs/dbraw/zinc/84/79/45/558847945.db2.gz MVFJFXQUFRXKAX-JOCHJYFZSA-N 0 0 403.409 4.735 50 0 HJAARN O=C(N[C@@H](N1CCCCC1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1Cl ZINC000019227790 558852970 /nfs/dbraw/zinc/85/29/70/558852970.db2.gz NMTANWAZEVQEEN-ZDUSSCGKSA-N 0 0 404.552 4.905 50 0 HJAARN CCn1nc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(ccc(Cl)c3C)s2)cc1C ZINC000013703657 558857553 /nfs/dbraw/zinc/85/75/53/558857553.db2.gz ZYHSKIWTINUDMC-AWEZNQCLSA-N 0 0 418.950 4.609 50 0 HJAARN Cc1cccc(/N=c2\scc(-c3ccc(Cl)cc3)n2N2CCN(C)CC2)c1C ZINC000004614705 558858652 /nfs/dbraw/zinc/85/86/52/558858652.db2.gz DSLDGGZOHKZUKQ-GYHWCHFESA-N 0 0 412.990 4.603 50 0 HJAARN CC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)NCc3cccc(Cl)c3)c2)C1 ZINC000033035949 558860023 /nfs/dbraw/zinc/86/00/23/558860023.db2.gz HPTITDQKWXOJST-FQEVSTJZSA-N 0 0 413.949 4.567 50 0 HJAARN O=C(c1c[nH]nc1-c1cccc(Br)c1)N1CCC(Cc2ccccc2)CC1 ZINC000072328677 558864279 /nfs/dbraw/zinc/86/42/79/558864279.db2.gz FAONGZGPPLTXGV-UHFFFAOYSA-N 0 0 424.342 4.934 50 0 HJAARN CCc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000068713054 558864347 /nfs/dbraw/zinc/86/43/47/558864347.db2.gz SXWITUZHGGUSNO-VWLOTQADSA-N 0 0 419.908 4.910 50 0 HJAARN CCc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000068713056 558864376 /nfs/dbraw/zinc/86/43/76/558864376.db2.gz SXWITUZHGGUSNO-RUZDIDTESA-N 0 0 419.908 4.910 50 0 HJAARN Cc1sc2nc(CSCC(=O)Nc3c(C)cc(C)cc3Cl)[nH]c(=O)c2c1C ZINC000022210200 558865474 /nfs/dbraw/zinc/86/54/74/558865474.db2.gz ZLZPOFPRSNILHW-UHFFFAOYSA-N 0 0 421.975 4.744 50 0 HJAARN C[C@H]1S[C@@]2(C(=O)Nc3ccccc32)N(c2ccc3c(c2)oc2ccccc23)C1=O ZINC000004619988 558865981 /nfs/dbraw/zinc/86/59/81/558865981.db2.gz PQDQYYSWUFOQND-ZLOXQWCVSA-N 0 0 400.459 4.859 50 0 HJAARN CCCNC(=O)c1ccc2c(c1)nc(SCc1ccc(C)cc1)n(CC(C)C)c2=O ZINC000033076949 558866008 /nfs/dbraw/zinc/86/60/08/558866008.db2.gz AEMMQFRPSPHRAG-UHFFFAOYSA-N 0 0 423.582 4.793 50 0 HJAARN C[C@@H]1S[C@]2(C(=O)Nc3ccccc32)N(c2ccc3c(c2)oc2ccccc23)C1=O ZINC000004619986 558866034 /nfs/dbraw/zinc/86/60/34/558866034.db2.gz PQDQYYSWUFOQND-ZAMGYDSWSA-N 0 0 400.459 4.859 50 0 HJAARN C[C@H](CCc1ccccc1)NC(=O)C1CCN(c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000033071169 558866623 /nfs/dbraw/zinc/86/66/23/558866623.db2.gz SVOFPXNAHRFMQZ-MRXNPFEDSA-N 0 0 410.949 4.570 50 0 HJAARN COc1ccc(C)cc1NC(=O)CCCc1nc2cccnc2n1Cc1ccccc1 ZINC000033072567 558867005 /nfs/dbraw/zinc/86/70/05/558867005.db2.gz YOWONGMBCMSKMO-UHFFFAOYSA-N 0 0 414.509 4.758 50 0 HJAARN O=C(CCCc1nc2cccnc2n1Cc1ccc(F)cc1)NC1CCCCCC1 ZINC000033072739 558867187 /nfs/dbraw/zinc/86/71/87/558867187.db2.gz FCPXXZLDTHUGET-UHFFFAOYSA-N 0 0 408.521 4.780 50 0 HJAARN Cc1ccc(NC(=O)CCCc2nc3cccnc3n2Cc2ccc(F)cc2)cc1 ZINC000033072881 558867194 /nfs/dbraw/zinc/86/71/94/558867194.db2.gz UCUGRPOOSZNSRF-UHFFFAOYSA-N 0 0 402.473 4.889 50 0 HJAARN COc1ccc2nc(-n3ncc4c3NC(=O)C[C@@H]4c3ccc(SC)cc3)sc2c1 ZINC000033088162 558869908 /nfs/dbraw/zinc/86/99/08/558869908.db2.gz DBWRAUIZBPKXRE-OAHLLOKOSA-N 0 0 422.535 4.687 50 0 HJAARN CCCOc1ccccc1[C@@H]1CC(=O)Nc2c1cnn2-c1nc2ccccc2s1 ZINC000033088070 558869918 /nfs/dbraw/zinc/86/99/18/558869918.db2.gz NUOXMCFIIYALIH-HNNXBMFYSA-N 0 0 404.495 4.745 50 0 HJAARN CCOc1nc2ccccc2nc1N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000033088311 558870057 /nfs/dbraw/zinc/87/00/57/558870057.db2.gz YFTIEQFYHNSFQO-UHFFFAOYSA-N 0 0 410.905 4.537 50 0 HJAARN CCCCNC(=O)c1cc(-c2ccc(F)cc2)nc2n[nH]c(-c3ccc(OC)cc3)c21 ZINC000033085772 558870443 /nfs/dbraw/zinc/87/04/43/558870443.db2.gz YPFWJPMGIXUELG-UHFFFAOYSA-N 0 0 418.472 4.970 50 0 HJAARN CCOC(=O)C1(Cc2ccccc2Cl)CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000019337613 558870557 /nfs/dbraw/zinc/87/05/57/558870557.db2.gz FQUCMFDYMHOGAO-UHFFFAOYSA-N 0 0 411.933 4.604 50 0 HJAARN CC1CCN(C(=O)CSc2nc3ccccc3c(NCCc3ccccc3)n2)CC1 ZINC000004659288 558872440 /nfs/dbraw/zinc/87/24/40/558872440.db2.gz VHCGHSQIWWBOHN-UHFFFAOYSA-N 0 0 420.582 4.635 50 0 HJAARN COc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1C ZINC000033095196 558872631 /nfs/dbraw/zinc/87/26/31/558872631.db2.gz NIGSAJDKXOMBQE-QGZVFWFLSA-N 0 0 407.297 4.554 50 0 HJAARN COc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c1OC ZINC000004659643 558873348 /nfs/dbraw/zinc/87/33/48/558873348.db2.gz BVVXQVCCQHSTHB-XNTDXEJSSA-N 0 0 402.425 4.712 50 0 HJAARN CCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)cc1 ZINC000033106120 558873860 /nfs/dbraw/zinc/87/38/60/558873860.db2.gz OSOJNAUXWHAYRW-UHFFFAOYSA-N 0 0 419.506 4.984 50 0 HJAARN CCCC(=O)NC[C@@H]1CCCN(C(=O)c2sc(-c3ccc(C)cc3C)nc2C)C1 ZINC000060360703 558873880 /nfs/dbraw/zinc/87/38/80/558873880.db2.gz HPBRJHOEDDJZKY-SFHVURJKSA-N 0 0 413.587 4.504 50 0 HJAARN Cc1ccc(N2CCN(Cc3coc4c(Cl)cc(Cl)cc4c3=O)CC2)cc1 ZINC000055142170 558873975 /nfs/dbraw/zinc/87/39/75/558873975.db2.gz YZBZUSSKOARKMO-UHFFFAOYSA-N 0 0 403.309 4.730 50 0 HJAARN O=C(Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1)c1ccc(F)cc1 ZINC000055157313 558874803 /nfs/dbraw/zinc/87/48/03/558874803.db2.gz KXYOITTUTNCREU-UHFFFAOYSA-N 0 0 407.464 4.539 50 0 HJAARN C[C@@H](C(=O)NCc1ccc(Cl)cc1)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000033113859 558875657 /nfs/dbraw/zinc/87/56/57/558875657.db2.gz WJBRRVCNDWCSQU-MRXNPFEDSA-N 0 0 423.944 4.626 50 0 HJAARN O=c1[nH]cnc2c1[C@H](c1ccc(Br)cc1)c1c(ccc3ccccc31)O2 ZINC000004663959 558876019 /nfs/dbraw/zinc/87/60/19/558876019.db2.gz IUYNBWGZMQYIMO-QGZVFWFLSA-N 0 0 405.251 4.972 50 0 HJAARN COc1ccc(NC(=O)N(Cc2cccnc2)Cc2ccccc2Cl)c(OC)c1 ZINC000004669259 558877207 /nfs/dbraw/zinc/87/72/07/558877207.db2.gz NEDPJQGRUAGFPN-UHFFFAOYSA-N 0 0 411.889 4.987 50 0 HJAARN Cc1cc(C)cc(S(=O)(=O)Nc2cccc(CCc3nc4ccccc4[nH]3)c2)c1 ZINC000033116578 558877771 /nfs/dbraw/zinc/87/77/71/558877771.db2.gz IBAYXXGTHZYJST-UHFFFAOYSA-N 0 0 405.523 4.766 50 0 HJAARN COc1ccc(Nc2cc(C(=O)NCc3ccccc3OC)c3ccccc3n2)cc1 ZINC000004668052 558878058 /nfs/dbraw/zinc/87/80/58/558878058.db2.gz PVDVDBVFYPUDCB-UHFFFAOYSA-N 0 0 413.477 4.926 50 0 HJAARN Cc1ccsc1CNc1ccc(C(=O)N2CCC[C@H](Cn3ccnc3C)C2)cc1 ZINC000055369252 558880434 /nfs/dbraw/zinc/88/04/34/558880434.db2.gz IOSMEELBMPJASO-LJQANCHMSA-N 0 0 408.571 4.726 50 0 HJAARN CCOc1ccc(NC(=S)N(C2CCN(C(C)=O)CC2)C2CCCCCC2)cc1 ZINC000004669764 558880732 /nfs/dbraw/zinc/88/07/32/558880732.db2.gz LQCGIWSDCHXNJL-UHFFFAOYSA-N 0 0 417.619 4.818 50 0 HJAARN Cc1nc2sc3c(c2c(N2CCN(Cc4ccc(Cl)cc4)CC2)n1)CCCC3 ZINC000055514715 558881807 /nfs/dbraw/zinc/88/18/07/558881807.db2.gz MCECNQSKFGRULS-UHFFFAOYSA-N 0 0 412.990 4.854 50 0 HJAARN Cc1ccc(-n2nc(S[C@H](C)C(=O)Nc3ccccc3C)ccc2=O)cc1Cl ZINC000033128176 558881926 /nfs/dbraw/zinc/88/19/26/558881926.db2.gz AJBSGCUVPLTBBF-OAHLLOKOSA-N 0 0 413.930 4.622 50 0 HJAARN CCC[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2[n-]c(-c3cccc(C)c3)cc2n1 ZINC000033126244 558883782 /nfs/dbraw/zinc/88/37/82/558883782.db2.gz RKXIUWXXLRTEGG-UHFFFAOYSA-N 0 0 404.489 4.549 50 0 HJAARN CC(=O)c1ccc(NC(=O)c2cccc(-c3nc(-c4ccc(F)cc4)no3)c2)cc1 ZINC000033129625 558885503 /nfs/dbraw/zinc/88/55/03/558885503.db2.gz JQVDFESANOOKNO-UHFFFAOYSA-N 0 0 401.397 4.998 50 0 HJAARN COc1ccccc1Oc1ccnc(-c2ccc(C(=O)NCc3ccccc3)cc2)n1 ZINC000033130386 558886592 /nfs/dbraw/zinc/88/65/92/558886592.db2.gz NPIZQRRTWTWKPP-UHFFFAOYSA-N 0 0 411.461 4.875 50 0 biogenic HJAARN CCOC(=O)Cc1ccc(NC(=O)Nc2c3ccccc3[nH]c2-c2cccnc2)cc1 ZINC000033130705 558887184 /nfs/dbraw/zinc/88/71/84/558887184.db2.gz PBEHZIRAKFSHJF-UHFFFAOYSA-N 0 0 414.465 4.980 50 0 HJAARN COc1cccc(Oc2ccc(-c3cccc(C(=O)NCc4ccccc4)c3)nn2)c1 ZINC000033131062 558887561 /nfs/dbraw/zinc/88/75/61/558887561.db2.gz MJTFNRAXOUSYKC-UHFFFAOYSA-N 0 0 411.461 4.875 50 0 biogenic HJAARN CC[C@H](C)NC(=O)c1ccc(CNC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1 ZINC000057991138 558892667 /nfs/dbraw/zinc/89/26/67/558892667.db2.gz FPWQVRCCEBQKJA-IBGZPJMESA-N 0 0 422.569 4.742 50 0 HJAARN O=S(=O)(c1ccccc1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(F)c(F)c1 ZINC000033140852 558892757 /nfs/dbraw/zinc/89/27/57/558892757.db2.gz JEQYDSPIYATZBW-QHCPKHFHSA-N 0 0 424.472 4.783 50 0 HJAARN O=c1c2cnc3nc(C4CCCCC4)nn3c2ccn1-c1cccc(Cl)c1Cl ZINC000071376239 558897154 /nfs/dbraw/zinc/89/71/54/558897154.db2.gz DBWOWMMAQAXBHP-UHFFFAOYSA-N 0 0 414.296 4.783 50 0 HJAARN COc1ccccc1N1CCN(Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)CC1 ZINC000058122931 558899911 /nfs/dbraw/zinc/89/99/11/558899911.db2.gz PAPPVWFAZBEBSY-UHFFFAOYSA-N 0 0 406.526 4.556 50 0 HJAARN CCOc1ccc(-c2nc(C[S@@](=O)Cc3cccc(OC)c3)cs2)cc1OC ZINC000058129612 558900420 /nfs/dbraw/zinc/90/04/20/558900420.db2.gz BDQBGVYUYNGTSE-MUUNZHRXSA-N 0 0 417.552 4.675 50 0 HJAARN CCOc1ccc(-c2nc(C[S@](=O)Cc3cccc(OC)c3)cs2)cc1OC ZINC000058129624 558900430 /nfs/dbraw/zinc/90/04/30/558900430.db2.gz BDQBGVYUYNGTSE-NDEPHWFRSA-N 0 0 417.552 4.675 50 0 HJAARN CCN(CC)c1ccc(NC(=O)CSc2ncnc3c4ccccc4[nH]c32)c(C)c1 ZINC000033172403 558900936 /nfs/dbraw/zinc/90/09/36/558900936.db2.gz WLNVDXPPTQNGRY-UHFFFAOYSA-N 0 0 419.554 4.997 50 0 HJAARN O=C(CSc1ncnc2c3ccccc3[nH]c21)Nc1ccccc1Br ZINC000033172407 558900944 /nfs/dbraw/zinc/90/09/44/558900944.db2.gz MHUWLFYWPBPUMV-UHFFFAOYSA-N 0 0 413.300 4.604 50 0 HJAARN Cc1ccc(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)ccc2C)cc1F ZINC000033173453 558901636 /nfs/dbraw/zinc/90/16/36/558901636.db2.gz ODQQQEXNCDOVRW-UHFFFAOYSA-N 0 0 414.380 4.917 50 0 HJAARN Cc1ccc(CNC(=O)c2ccc(Oc3nccnc3N3CCC(C)CC3)cc2)cc1 ZINC000033170784 558903947 /nfs/dbraw/zinc/90/39/47/558903947.db2.gz MFBIRUAWSOCCDQ-UHFFFAOYSA-N 0 0 416.525 4.744 50 0 HJAARN CCN(c1cccc(C)c1)S(=O)(=O)c1ccccc1-c1nc(-c2ccccc2)no1 ZINC000033175581 558904973 /nfs/dbraw/zinc/90/49/73/558904973.db2.gz QWINNDMLDLXORG-UHFFFAOYSA-N 0 0 419.506 4.927 50 0 HJAARN O=C(Nc1ccc([C@H]2CC2(Br)Br)cc1)c1cccs1 ZINC000004699541 558907382 /nfs/dbraw/zinc/90/73/82/558907382.db2.gz BZJVIHOKXDAHDR-LLVKDONJSA-N 0 0 401.123 4.974 50 0 HJAARN CCN(CC)C(=O)[C@H](c1ccccc1)N(C)Cc1c(C)nn(-c2ccccc2)c1C ZINC000058169943 558907837 /nfs/dbraw/zinc/90/78/37/558907837.db2.gz KSZSJULFRQFJHY-DEOSSOPVSA-N 0 0 404.558 4.531 50 0 HJAARN CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)Nc4cccc(C)c4)C3=O)c[nH]c21 ZINC000004700020 558907850 /nfs/dbraw/zinc/90/78/50/558907850.db2.gz DDZYPBNIVMWAPD-ODLFYWEKSA-N 0 0 419.506 4.714 50 0 HJAARN CCOc1ccc(CN(CCCn2ccnc2)C(=O)NC2CCCCCCC2)cc1 ZINC000058175507 558909509 /nfs/dbraw/zinc/90/95/09/558909509.db2.gz LIYRCCVDAKDKAI-UHFFFAOYSA-N 0 0 412.578 4.997 50 0 HJAARN CCc1cc(I)ccc1NC(=O)c1ccc(OC(C)C)cc1 ZINC000004703988 558913479 /nfs/dbraw/zinc/91/34/79/558913479.db2.gz GFQJDRBVKDRAQC-UHFFFAOYSA-N 0 0 409.267 4.893 50 0 HJAARN CC(=O)Nc1ccc(N2C(=O)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3C2=O)cc1 ZINC000004704057 558913493 /nfs/dbraw/zinc/91/34/93/558913493.db2.gz NURVPIRYOUKANN-UHFFFAOYSA-N 0 0 414.505 4.913 50 0 HJAARN COCCOC(=O)c1c(C)n(Cc2ccc(F)cc2)c2c1cc(O)c1ccccc21 ZINC000004708665 558914123 /nfs/dbraw/zinc/91/41/23/558914123.db2.gz FLSUCQFFPRRXSO-UHFFFAOYSA-N 0 0 407.441 4.799 50 0 HJAARN CCOc1ccc([C@@H](NC(=O)c2cc(=O)c3ccccc3o2)C(C)C)cc1OCC ZINC000033239312 558914509 /nfs/dbraw/zinc/91/45/09/558914509.db2.gz IKYMSUQYGHIXMX-QHCPKHFHSA-N 0 0 409.482 4.718 50 0 HJAARN O=C(CCC(=O)c1cccs1)NCc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000058264794 558915519 /nfs/dbraw/zinc/91/55/19/558915519.db2.gz IVHKCUYMSBFABY-UHFFFAOYSA-N 0 0 407.495 4.671 50 0 HJAARN C[C@H]1CCCC[C@@H]1OCCNC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000058268999 558916261 /nfs/dbraw/zinc/91/62/61/558916261.db2.gz SCRVFBVYMVFLIT-AVRDEDQJSA-N 0 0 409.530 4.680 50 0 HJAARN COc1ccc([C@@H](CC(=O)Nc2ccccc2F)N2Cc3ccccc3C2=O)cc1 ZINC000033249875 558918807 /nfs/dbraw/zinc/91/88/07/558918807.db2.gz VYWKEBBYCGRMTD-JOCHJYFZSA-N 0 0 404.441 4.560 50 0 HJAARN COc1ccc(Nc2ccc3cc(S(=O)(=O)N4CCCC[C@H]4C)ccc3n2)cc1 ZINC000033250503 558919420 /nfs/dbraw/zinc/91/94/20/558919420.db2.gz BZHBONXEDGCTDL-MRXNPFEDSA-N 0 0 411.527 4.550 50 0 HJAARN CC[C@@H](C(=O)Nc1cccc(C)c1C)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000033251034 558919552 /nfs/dbraw/zinc/91/95/52/558919552.db2.gz IPSBITVXOXXHLW-INIZCTEOSA-N 0 0 403.404 4.622 50 0 HJAARN O=C(NCCn1c(CCc2ccccc2)nc2ccccc21)Nc1ccc(F)cc1 ZINC000033252152 558920223 /nfs/dbraw/zinc/92/02/23/558920223.db2.gz NXEGORHPEHGFOU-UHFFFAOYSA-N 0 0 402.473 4.782 50 0 HJAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCN(C(=O)c2cccc(C)c2)CC1 ZINC000033252195 558920442 /nfs/dbraw/zinc/92/04/42/558920442.db2.gz NLRHRZNFRHMBIL-UHFFFAOYSA-N 0 0 409.917 4.570 50 0 HJAARN O=C(NCCn1c(CCc2ccccc2)nc2ccccc21)Nc1ccc(F)cc1F ZINC000033252163 558920444 /nfs/dbraw/zinc/92/04/44/558920444.db2.gz GORTVGZWSZGZLJ-UHFFFAOYSA-N 0 0 420.463 4.921 50 0 HJAARN O=C(Cc1nnc(SCc2ccccc2)n1-c1ccccc1)Nc1ccccc1 ZINC000033252332 558920646 /nfs/dbraw/zinc/92/06/46/558920646.db2.gz QEBLJKOKVCTTMP-UHFFFAOYSA-N 0 0 400.507 4.741 50 0 HJAARN Cc1nc2ccc(NC(=O)C[C@H]3Sc4ccc(C(F)(F)F)cc4NC3=O)cc2o1 ZINC000058357851 558921624 /nfs/dbraw/zinc/92/16/24/558921624.db2.gz UDLZZJVXDLAJMN-MRXNPFEDSA-N 0 0 421.400 4.597 50 0 HJAARN COc1cccc([C@H]2OCCN(Cc3ccccc3)C(=O)c3[nH]c4ccccc4c32)c1 ZINC000004722698 558922371 /nfs/dbraw/zinc/92/23/71/558922371.db2.gz FTGLWTHZSOHOHF-RUZDIDTESA-N 0 0 412.489 4.939 50 0 HJAARN COc1cccc(OC)c1C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000004724002 558922726 /nfs/dbraw/zinc/92/27/26/558922726.db2.gz OPYIVXYFFDIVJI-UHFFFAOYSA-N 0 0 401.418 4.730 50 0 HJAARN CCC(=O)Nc1ccc(Cn2cnc(-c3nc(-c4ccc(Cl)cc4)no3)c2)cc1 ZINC000033254851 558922952 /nfs/dbraw/zinc/92/29/52/558922952.db2.gz WYWBGRCESWEHBX-UHFFFAOYSA-N 0 0 407.861 4.650 50 0 HJAARN Cc1ccccc1-c1noc(-c2cn(C)c3cc(N4CCCCC4)c(F)cc3c2=O)n1 ZINC000033255924 558923437 /nfs/dbraw/zinc/92/34/37/558923437.db2.gz MTWGPQAPIWAEJL-UHFFFAOYSA-N 0 0 418.472 4.693 50 0 HJAARN CCCNC(=O)Nc1ccc(-c2noc(Cc3ccc(Br)cc3)n2)cc1 ZINC000033257150 558924045 /nfs/dbraw/zinc/92/40/45/558924045.db2.gz UGSPJEXVWWLBAV-UHFFFAOYSA-N 0 0 415.291 4.621 50 0 HJAARN COc1ccc(Cc2nc(-c3ccc(NC(=O)Nc4ccccc4)cc3)no2)cc1 ZINC000033257255 558924299 /nfs/dbraw/zinc/92/42/99/558924299.db2.gz JVTFLYKJWYNKKV-UHFFFAOYSA-N 0 0 400.438 4.980 50 0 HJAARN CC(C)(C)c1cc(NC(=O)c2ccc(N3CCOC3=O)cc2)n(-c2ccc(F)cc2)n1 ZINC000058416689 558925447 /nfs/dbraw/zinc/92/54/47/558925447.db2.gz RSTYILDZZPBUAL-UHFFFAOYSA-N 0 0 422.460 4.518 50 0 HJAARN C[C@H](NC(=O)Nc1ccc(Oc2cccc(Br)c2)nc1)c1ccncc1 ZINC000058420364 558925625 /nfs/dbraw/zinc/92/56/25/558925625.db2.gz VQAGYZORJPSBPW-ZDUSSCGKSA-N 0 0 413.275 4.914 50 0 HJAARN Cc1cnn(-c2ccc(C(=O)Nc3ccc(Sc4nc(C)cc(C)n4)cc3)cc2)c1 ZINC000058423433 558926034 /nfs/dbraw/zinc/92/60/34/558926034.db2.gz RYQQCEPCUUHRHJ-UHFFFAOYSA-N 0 0 415.522 4.991 50 0 HJAARN Cc1cc(Nc2ccc(NC(=O)Nc3ccccc3F)cc2)nc(N2CCCC2)n1 ZINC000072117638 558927510 /nfs/dbraw/zinc/92/75/10/558927510.db2.gz AUIGGAHJCLFYFZ-UHFFFAOYSA-N 0 0 406.465 4.912 50 0 HJAARN O=C(Nc1ccccc1)N1CCC[C@@H](C(=O)OCc2ccc(OC(F)(F)F)cc2)C1 ZINC000058626457 558928951 /nfs/dbraw/zinc/92/89/51/558928951.db2.gz MZMCZNVMTWHMDG-MRXNPFEDSA-N 0 0 422.403 4.573 50 0 HJAARN O=C(Nc1nc2cc(F)c(F)cc2s1)c1cnc(OCC(F)(F)F)c(Cl)c1 ZINC000058779750 558930036 /nfs/dbraw/zinc/93/00/36/558930036.db2.gz LKIWLYCTXDPMSQ-UHFFFAOYSA-N 0 0 423.750 4.816 50 0 HJAARN CCOC(=O)COc1c(Br)c(Cl)c(C)c(Cl)c1Br ZINC000072193631 558930813 /nfs/dbraw/zinc/93/08/13/558930813.db2.gz QTBXOUPAAYTTFZ-UHFFFAOYSA-N 0 0 420.912 4.769 50 0 HJAARN COc1ccc(-c2ccc(SCc3nc(-c4ccccc4C)no3)nn2)cc1OC ZINC000033262515 558931406 /nfs/dbraw/zinc/93/14/06/558931406.db2.gz SEFHMXUKUOMRMZ-UHFFFAOYSA-N 0 0 420.494 4.812 50 0 HJAARN Cc1ccc(NC(=O)NCCc2nc3cccnc3n2Cc2ccccc2)c(Cl)c1 ZINC000033263671 558933001 /nfs/dbraw/zinc/93/30/01/558933001.db2.gz WBABHKKDSAQJLI-UHFFFAOYSA-N 0 0 419.916 4.806 50 0 HJAARN O=C(NCCc1nc2cccnc2n1C1CCCC1)Nc1ccc(F)c(Cl)c1 ZINC000033263785 558933017 /nfs/dbraw/zinc/93/30/17/558933017.db2.gz FULQODANBHSQHF-UHFFFAOYSA-N 0 0 401.873 4.703 50 0 HJAARN CN(Cc1ccccc1C(F)(F)F)C(=O)Cc1ccc(F)c(Br)c1 ZINC000059579946 558937569 /nfs/dbraw/zinc/93/75/69/558937569.db2.gz WVWJMYSIXPQWLJ-UHFFFAOYSA-N 0 0 404.201 4.808 50 0 HJAARN Cc1sc(-n2cccc2)c(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)c1C ZINC000060017796 558940290 /nfs/dbraw/zinc/94/02/90/558940290.db2.gz LZHNKHGIAHFHRH-UHFFFAOYSA-N 0 0 412.530 4.773 50 0 HJAARN Cc1noc(C)c1COc1ccccc1C(=O)OCc1cc(-c2ccccc2)on1 ZINC000011205422 558947174 /nfs/dbraw/zinc/94/71/74/558947174.db2.gz MLNXPQIRQCESDW-UHFFFAOYSA-N 0 0 404.422 4.882 50 0 HJAARN CC(C)CN(CC(C)C)C(=O)/C=C1\Sc2ccc(C(F)(F)F)cc2NC1=O ZINC000096422992 558948281 /nfs/dbraw/zinc/94/82/81/558948281.db2.gz BDEYBICESNPQDK-PXNMLYILSA-N 0 0 400.466 4.774 50 0 HJAARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@H](c2cc(F)cc(F)c2)CC(=O)N3)cc1 ZINC000021784821 558949948 /nfs/dbraw/zinc/94/99/48/558949948.db2.gz MQQZNGIVCQJJNL-INIZCTEOSA-N 0 0 413.449 4.535 50 0 HJAARN CCOc1ccccc1OCC(=O)Nc1scc(-c2cccs2)c1C(=O)OC ZINC000021785455 558950213 /nfs/dbraw/zinc/95/02/13/558950213.db2.gz DBGBIOKCQWPQMV-UHFFFAOYSA-N 0 0 417.508 4.679 50 0 HJAARN COc1ccccc1OCCCCn1c2ccccc2nc1[C@H]1CCCN1C(C)=O ZINC000021787462 558950539 /nfs/dbraw/zinc/95/05/39/558950539.db2.gz ARSQANOVIXCKTB-OAQYLSRUSA-N 0 0 407.514 4.588 50 0 HJAARN C[C@]1(C(=O)NC2CCCC2)Cn2c3ccsc3cc2C(=O)N1C1CCCCCC1 ZINC000021809553 558953071 /nfs/dbraw/zinc/95/30/71/558953071.db2.gz XZAAUSKYPPIFFL-HSZRJFAPSA-N 0 0 413.587 4.699 50 0 HJAARN Cc1ccc(C)c(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCC2)c1 ZINC000021810537 558953279 /nfs/dbraw/zinc/95/32/79/558953279.db2.gz FSBNBTLLDXQWBW-RUZDIDTESA-N 0 0 419.525 4.719 50 0 HJAARN Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)NCCSCc1ccco1 ZINC000033059992 558954251 /nfs/dbraw/zinc/95/42/51/558954251.db2.gz SUGMVLXMDPXGOS-UHFFFAOYSA-N 0 0 411.552 4.960 50 0 HJAARN Cc1cc(C)c2c(=O)cc(CSc3nnc(NC(=O)c4ccccc4)s3)[nH]c2c1 ZINC000033063921 558956764 /nfs/dbraw/zinc/95/67/64/558956764.db2.gz NCKUNDIRWFSXEQ-UHFFFAOYSA-N 0 0 422.535 4.541 50 0 HJAARN CCc1ccc2[nH]c(CSCC(=O)Nc3cccc(Cl)c3C)cc(=O)c2c1 ZINC000033064299 558957169 /nfs/dbraw/zinc/95/71/69/558957169.db2.gz FUSYVVRZZFHVRF-UHFFFAOYSA-N 0 0 400.931 4.924 50 0 HJAARN CCn1c(COc2cccc(C)c2)nnc1SCc1cc(=O)c2cc(C)ccc2[nH]1 ZINC000033064337 558957327 /nfs/dbraw/zinc/95/73/27/558957327.db2.gz GVXIGINNCVWFBI-UHFFFAOYSA-N 0 0 420.538 4.628 50 0 HJAARN Cc1ccccc1NC(=O)Nc1ccc(C)c(OCc2cc(=O)n3ccccc3n2)c1 ZINC000033067810 558957639 /nfs/dbraw/zinc/95/76/39/558957639.db2.gz LFLKUCSAAANAGJ-UHFFFAOYSA-N 0 0 414.465 4.534 50 0 HJAARN Cc1ccc2c(c1)C(N1CCCN(C(=O)NC(C)(C)C)CC1)=Nc1ccccc1O2 ZINC000096503584 558959206 /nfs/dbraw/zinc/95/92/06/558959206.db2.gz HWBUXUWUMBNYIV-UHFFFAOYSA-N 0 0 406.530 4.695 50 0 HJAARN CCn1cc(-c2cc(C(=O)N3CCC[C@@H]3c3nccs3)c3ccccc3n2)cn1 ZINC000063845223 558959241 /nfs/dbraw/zinc/95/92/41/558959241.db2.gz GQOGDGFSVFVRAN-HXUWFJFHSA-N 0 0 403.511 4.552 50 0 HJAARN Nc1c2ccc(-c3ccncc3)nc2sc1C(=O)Nc1nc2ccccc2s1 ZINC000096527202 558964747 /nfs/dbraw/zinc/96/47/47/558964747.db2.gz NZGUEIXBPLCYBM-UHFFFAOYSA-N 0 0 403.492 4.803 50 0 HJAARN Cc1ccccc1N1C(=O)c2cc3ccsc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000064662210 558965171 /nfs/dbraw/zinc/96/51/71/558965171.db2.gz SUPMMGUZDDHCTB-DEOSSOPVSA-N 0 0 421.566 4.879 50 0 HJAARN O=C(Nc1nc2c(s1)CCCCC2)c1csc(COc2ccc(F)cc2)n1 ZINC000022992196 558965369 /nfs/dbraw/zinc/96/53/69/558965369.db2.gz DCOMNNQHGXUOKD-UHFFFAOYSA-N 0 0 403.504 4.839 50 0 HJAARN O=c1c2ccccc2c(-c2nc(-c3ccc(F)cc3)no2)nn1-c1ccc(Cl)cc1 ZINC000064949892 558967899 /nfs/dbraw/zinc/96/78/99/558967899.db2.gz ONRNTVZYGKFALP-UHFFFAOYSA-N 0 0 418.815 4.895 50 0 HJAARN O=S(=O)(c1ccc(Br)cc1)N1CCCCC[C@H]1c1cccc(F)c1 ZINC000064983840 558968224 /nfs/dbraw/zinc/96/82/24/558968224.db2.gz XVCYFDVLOJJSEF-SFHVURJKSA-N 0 0 412.324 4.894 50 0 HJAARN O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc(-c3ccc(F)cc3)ncc2C1 ZINC000065168933 558970249 /nfs/dbraw/zinc/97/02/49/558970249.db2.gz AQKVSCMYAMSFHV-UHFFFAOYSA-N 0 0 416.378 4.892 50 0 HJAARN O=C(CSc1nc2ccccc2nc1Cc1ccc(Cl)cc1)NCc1ccco1 ZINC000033068808 558970325 /nfs/dbraw/zinc/97/03/25/558970325.db2.gz LZKHGNASCQFSLK-UHFFFAOYSA-N 0 0 423.925 4.876 50 0 HJAARN C[C@H](Sc1nc2ccccc2nc1Cc1ccc(F)cc1)C(=O)NCc1ccco1 ZINC000033068884 558970728 /nfs/dbraw/zinc/97/07/28/558970728.db2.gz ITPXHKQRVACYDW-HNNXBMFYSA-N 0 0 421.497 4.750 50 0 HJAARN Cc1csc(NC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)n1 ZINC000021915300 558971683 /nfs/dbraw/zinc/97/16/83/558971683.db2.gz 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/nfs/dbraw/zinc/29/00/77/559290077.db2.gz NHTMJPIVPMVGNN-CQSZACIVSA-N 0 0 421.522 4.633 50 0 HJAARN CCn1c2ccccc2c2cc(NC(=O)COc3ccc(CC(=O)OC)cc3)ccc21 ZINC000005198526 559292209 /nfs/dbraw/zinc/29/22/09/559292209.db2.gz LBFFFALUFHESAT-UHFFFAOYSA-N 0 0 416.477 4.547 50 0 HJAARN CCCCOc1ccc(C(=O)Nn2c(=O)c3ccccc3nc2-c2cccs2)cc1 ZINC000005205936 560539350 /nfs/dbraw/zinc/53/93/50/560539350.db2.gz DKYKUIJWDLSAOM-UHFFFAOYSA-N 0 0 419.506 4.688 50 0 HJAARN O=c1cc(CSc2ncnc3sc(-c4ccccc4)cc32)nc2sccn21 ZINC000005212825 560542707 /nfs/dbraw/zinc/54/27/07/560542707.db2.gz ILSOXYOGIDNVDI-UHFFFAOYSA-N 0 0 408.533 4.720 50 0 HJAARN Cc1ccc(OCCCn2c(CCCNC(=O)c3ccco3)nc3ccccc32)cc1 ZINC000005235822 560548320 /nfs/dbraw/zinc/54/83/20/560548320.db2.gz PVCATNAQYZOWEX-UHFFFAOYSA-N 0 0 417.509 4.769 50 0 HJAARN Cc1cc(C)c(C)c(Cn2c(CCNC(=O)c3ccco3)nc3ccccc32)c1C ZINC000005235801 560548339 /nfs/dbraw/zinc/54/83/39/560548339.db2.gz SFWUUWMZWPKBOW-UHFFFAOYSA-N 0 0 401.510 4.884 50 0 HJAARN Cc1cccc(OCCCn2c(CCCNC(=O)c3ccco3)nc3ccccc32)c1 ZINC000005235821 560548347 /nfs/dbraw/zinc/54/83/47/560548347.db2.gz UIQBAJMPDICYAH-UHFFFAOYSA-N 0 0 417.509 4.769 50 0 HJAARN COC(=O)c1ccc(CSc2nnc(-c3cccc(Br)c3)o2)cc1 ZINC000005262616 560552943 /nfs/dbraw/zinc/55/29/43/560552943.db2.gz DXDBJRVAAJWQDJ-UHFFFAOYSA-N 0 0 405.273 4.578 50 0 HJAARN COC(=O)Cc1c(C)c2ccc(OCc3c(Cl)cccc3Cl)cc2oc1=O ZINC000002148036 560559150 /nfs/dbraw/zinc/55/91/50/560559150.db2.gz QOJFJAIYECBCCU-UHFFFAOYSA-N 0 0 407.249 4.703 50 0 biogenic HJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccc(F)c2)N1c1ccccn1 ZINC000005271763 560561056 /nfs/dbraw/zinc/56/10/56/560561056.db2.gz VTMRAMPFEAOZAB-IBGZPJMESA-N 0 0 406.800 4.730 50 0 HJAARN CC(=O)Nc1ccc(C2=N/C(=C\c3ccc(OCc4ccccc4)cc3)C(=O)O2)cc1 ZINC000005283571 560562522 /nfs/dbraw/zinc/56/25/22/560562522.db2.gz RATQGECRWVCDBX-HAHDFKILSA-N 0 0 412.445 4.569 50 0 HJAARN COc1c(Br)c(CC(C)=O)c2cc(Br)ccc2c1OC ZINC000005283420 560562573 /nfs/dbraw/zinc/56/25/73/560562573.db2.gz CGGAOXCJJXIZET-UHFFFAOYSA-N 0 0 402.082 4.514 50 0 HJAARN COc1ccc(-c2nnc(SCCCOc3ccc(Cl)cc3)o2)cc1OC ZINC000005281981 560562575 /nfs/dbraw/zinc/56/25/75/560562575.db2.gz HFFOMZTYMRSQLC-UHFFFAOYSA-N 0 0 406.891 4.968 50 0 HJAARN CCN(C(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O)c1ccccc1C ZINC000005304987 560563146 /nfs/dbraw/zinc/56/31/46/560563146.db2.gz CGRFFFXBPUIYCW-UHFFFAOYSA-N 0 0 415.468 4.559 50 0 HJAARN O=C(CCCCCn1cnc2ccccc2c1=O)Nc1ccccc1C(F)(F)F ZINC000005305189 560563172 /nfs/dbraw/zinc/56/31/72/560563172.db2.gz LRNJENVNPSUXFX-UHFFFAOYSA-N 0 0 403.404 4.614 50 0 HJAARN Cc1ccc(C)c(NC(=O)c2cc3cccnc3n(Cc3ccc(Cl)cc3)c2=O)c1 ZINC000005305499 560563430 /nfs/dbraw/zinc/56/34/30/560563430.db2.gz JCJPXCRFRSSMNN-UHFFFAOYSA-N 0 0 417.896 4.967 50 0 HJAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1c1ccccn1 ZINC000005307921 560563741 /nfs/dbraw/zinc/56/37/41/560563741.db2.gz HZKFRDAVGVHVAD-IBGZPJMESA-N 0 0 406.800 4.730 50 0 HJAARN Cc1c2cc3c(c(C)c2oc(=O)c1Cc1ccccc1)OCN(Cc1ccccn1)C3 ZINC000061969181 560563836 /nfs/dbraw/zinc/56/38/36/560563836.db2.gz PPGSZNRDSUWUHV-UHFFFAOYSA-N 0 0 412.489 4.748 50 0 HJAARN CCCn1c(C)cc(C(=O)COC(=O)c2ccc(OCc3c(C)noc3C)cc2)c1C ZINC000005312744 560564284 /nfs/dbraw/zinc/56/42/84/560564284.db2.gz KYLQPERKMTZCJE-UHFFFAOYSA-N 0 0 424.497 4.738 50 0 HJAARN Cc1cccc(OCc2nnc(SCC(=O)N[C@H](C)c3cccc(Cl)c3)o2)c1 ZINC000005324211 560564895 /nfs/dbraw/zinc/56/48/95/560564895.db2.gz XLBVOHPJFFEEOJ-CQSZACIVSA-N 0 0 417.918 4.580 50 0 HJAARN CSc1ccc(CN2C(=O)N[C@](Cc3ccccc3)(c3ccccc3)C2=O)cc1 ZINC000005334935 560566904 /nfs/dbraw/zinc/56/69/04/560566904.db2.gz GHUFRWGULPYQFC-XMMPIXPASA-N 0 0 402.519 4.599 50 0 HJAARN Cc1ccc(-c2nnc(SCC(=O)N3CCCCC3)nc2-c2ccc(C)cc2)cc1 ZINC000005358333 560569592 /nfs/dbraw/zinc/56/95/92/560569592.db2.gz MHHKBEBAPCSMIV-UHFFFAOYSA-N 0 0 418.566 4.927 50 0 HJAARN COc1ccc(-c2ccc(SCC(=O)Nc3ccccc3Cl)nn2)cc1OC ZINC000005410531 560583885 /nfs/dbraw/zinc/58/38/85/560583885.db2.gz KTKKNGQJSMOWCQ-UHFFFAOYSA-N 0 0 415.902 4.545 50 0 HJAARN C[C@@H](Oc1ccccc1)C(=O)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1 ZINC000005426625 560585589 /nfs/dbraw/zinc/58/55/89/560585589.db2.gz WJJXEEJDHXFDDS-GOSISDBHSA-N 0 0 405.498 4.865 50 0 HJAARN O=C(COc1ccc(F)cc1Br)Nc1ccc(OC(F)(F)F)cc1 ZINC000002647557 560587045 /nfs/dbraw/zinc/58/70/45/560587045.db2.gz SERXOGKSCHUUCH-UHFFFAOYSA-N 0 0 408.145 4.504 50 0 HJAARN Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc4c(c3)OCO4)c2n1 ZINC000002659096 560587317 /nfs/dbraw/zinc/58/73/17/560587317.db2.gz LSQRYBSBQPJHEM-UHFFFAOYSA-N 0 0 405.237 4.596 50 0 HJAARN CCn1c(SCC(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1ccccc1 ZINC000007979569 560587539 /nfs/dbraw/zinc/58/75/39/560587539.db2.gz SXXNSJRKEIPSHV-UHFFFAOYSA-N 0 0 416.934 4.666 50 0 HJAARN COc1ccc(C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1 ZINC000003207309 560588880 /nfs/dbraw/zinc/58/88/80/560588880.db2.gz OUGXWYSNLOGZED-UHFFFAOYSA-N 0 0 423.309 4.830 50 0 HJAARN COc1ccc(NC=C2c3ccc(OC)cc3C(=O)N(c3ccccc3C)C2=O)cc1 ZINC000005447747 560589040 /nfs/dbraw/zinc/58/90/40/560589040.db2.gz XJBPIUBVPWTYOH-JCMHNJIXSA-N 0 0 414.461 4.652 50 0 HJAARN COc1ccc(NC(=O)COC(=O)C2c3ccccc3Oc3ccccc32)cc1Cl ZINC000003216281 560589584 /nfs/dbraw/zinc/58/95/84/560589584.db2.gz CRJPRHWSIOYCCI-UHFFFAOYSA-N 0 0 423.852 4.768 50 0 HJAARN O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)NCc1ccccc1Cl ZINC000003235742 560590299 /nfs/dbraw/zinc/59/02/99/560590299.db2.gz IVMMNSSQRJZODF-UHFFFAOYSA-N 0 0 406.309 4.665 50 0 HJAARN O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccccc1OC(F)F ZINC000003283725 560591474 /nfs/dbraw/zinc/59/14/74/560591474.db2.gz ABXUXQQIKYZDPI-UHFFFAOYSA-N 0 0 413.376 4.876 50 0 HJAARN O=C(/C=C/c1ccc(OC(F)F)cc1)OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000003298584 560592709 /nfs/dbraw/zinc/59/27/09/560592709.db2.gz DFRKAVDVHSXKTI-ZZXKWVIFSA-N 0 0 416.207 4.790 50 0 HJAARN O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc21)NCC1CCCCC1 ZINC000003358157 560592942 /nfs/dbraw/zinc/59/29/42/560592942.db2.gz CYQOACVDBRCFSA-UHFFFAOYSA-N 0 0 408.523 4.817 50 0 HJAARN Cc1c(NC(=O)CC(c2ccccc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000003360246 560593063 /nfs/dbraw/zinc/59/30/63/560593063.db2.gz MSFXNSNEVWXSLB-UHFFFAOYSA-N 0 0 411.505 4.645 50 0 HJAARN Cc1ccnc2nc(C(=O)N(c3nc4ccccc4s3)c3cccc(Cl)c3)nn21 ZINC000003404484 560594158 /nfs/dbraw/zinc/59/41/58/560594158.db2.gz YTZIMUAMSKVNTD-UHFFFAOYSA-N 0 0 420.885 4.674 50 0 HJAARN CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2C)o1 ZINC000005478623 560595460 /nfs/dbraw/zinc/59/54/60/560595460.db2.gz OWELNRHAQNKGPQ-HNNXBMFYSA-N 0 0 409.577 4.989 50 0 HJAARN Cc1oc2cc(OCC(=O)N[C@@H]3CCCC[C@H]3C)ccc2c(=O)c1-c1ccccc1 ZINC000005497972 560598139 /nfs/dbraw/zinc/59/81/39/560598139.db2.gz RDUQITYXBDNZHB-IIBYNOLFSA-N 0 0 405.494 4.842 50 0 HJAARN CC(C)(C)c1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1 ZINC000005499809 560598396 /nfs/dbraw/zinc/59/83/96/560598396.db2.gz ICWFQXMMQGGHFM-UHFFFAOYSA-N 0 0 417.538 4.844 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC000005507881 560599229 /nfs/dbraw/zinc/59/92/29/560599229.db2.gz OQKLMDPTSTUSQQ-OAHLLOKOSA-N 0 0 409.869 4.986 50 0 HJAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC[C@@H](C)c1ccccc1)OC(C)(C)CC3 ZINC000004089465 560600890 /nfs/dbraw/zinc/60/08/90/560600890.db2.gz YLSWBRWAYNLSML-MRXNPFEDSA-N 0 0 419.521 4.667 50 0 biogenic HJAARN Clc1cccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=N3)c1 ZINC000005515980 560603934 /nfs/dbraw/zinc/60/39/34/560603934.db2.gz ZOQYDPIIIKWEMA-VXKWHMMOSA-N 0 0 413.868 4.539 50 0 HJAARN C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000004286368 560604768 /nfs/dbraw/zinc/60/47/68/560604768.db2.gz BJLULHBWLRCHEU-GFCCVEGCSA-N 0 0 405.281 4.978 50 0 HJAARN COc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(F)c2)cc1 ZINC000005532659 560606111 /nfs/dbraw/zinc/60/61/11/560606111.db2.gz ZMICLCGILKVNKM-QFIPXVFZSA-N 0 0 415.420 4.686 50 0 HJAARN CCOc1ccccc1NC(=O)COC(=O)c1c2ccccc2nc2c1CCCCC2 ZINC000004601954 560608015 /nfs/dbraw/zinc/60/80/15/560608015.db2.gz FYOWOFQSENCZEI-UHFFFAOYSA-N 0 0 418.493 4.698 50 0 HJAARN COCc1c(C(=O)O[C@H](C)C(=O)NCCC2=CCCCC2)sc2cccc(F)c21 ZINC000005563688 560619190 /nfs/dbraw/zinc/61/91/90/560619190.db2.gz QWVWQYPYAKKBNV-CQSZACIVSA-N 0 0 419.518 4.739 50 0 HJAARN CCOc1ccc(C(=O)Nc2nn(CC(C)C)c3nc4ccc(OC)cc4cc23)cc1 ZINC000005577075 560624859 /nfs/dbraw/zinc/62/48/59/560624859.db2.gz QUCVNYRQLNYIKK-UHFFFAOYSA-N 0 0 418.497 4.900 50 0 HJAARN CCc1ccc(-c2nc(S[C@H](C)c3nc(=O)c4c(C)c(C)sc4[nH]3)n[nH]2)cc1 ZINC000005180236 560625034 /nfs/dbraw/zinc/62/50/34/560625034.db2.gz ZYGMTBAEWNTILH-GFCCVEGCSA-N 0 0 411.556 4.802 50 0 HJAARN COc1ccc(CNC(=O)COc2ccc(-c3ccccc3)cc2Cl)cc1OC ZINC000005365977 560626071 /nfs/dbraw/zinc/62/60/71/560626071.db2.gz BPPHCUZXUSRWQC-UHFFFAOYSA-N 0 0 411.885 4.719 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC000005507880 560626814 /nfs/dbraw/zinc/62/68/14/560626814.db2.gz OQKLMDPTSTUSQQ-HNNXBMFYSA-N 0 0 409.869 4.986 50 0 HJAARN CCC(CC)C(=O)N1CCC(NC(=O)Nc2ccccc2N2CCCCCC2)CC1 ZINC000062580148 560631386 /nfs/dbraw/zinc/63/13/86/560631386.db2.gz KYSLYTHZTCTWRO-UHFFFAOYSA-N 0 0 414.594 4.616 50 0 HJAARN Cc1cc(C2=NNC(=Nc3ccc(F)cc3F)SC2)c(C)n1Cc1ccco1 ZINC000006671556 560632833 /nfs/dbraw/zinc/63/28/33/560632833.db2.gz YJHXHZWGYJTLTJ-UHFFFAOYSA-N 0 0 400.454 4.943 50 0 HJAARN Cc1ccc2nc(CSc3nnc(Nc4ccc(C)c(C)c4)s3)cc(=O)n2c1 ZINC000005624008 560632944 /nfs/dbraw/zinc/63/29/44/560632944.db2.gz AXCLINPJJLJNOC-UHFFFAOYSA-N 0 0 409.540 4.507 50 0 HJAARN Nc1nnc(S[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)s1 ZINC000005636798 560635619 /nfs/dbraw/zinc/63/56/19/560635619.db2.gz ONEKGMCDLONYDJ-ZDUSSCGKSA-N 0 0 410.446 4.611 50 0 HJAARN Cn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@H]1COc2ccccc2O1 ZINC000008852266 560639924 /nfs/dbraw/zinc/63/99/24/560639924.db2.gz CECYAOXBTSUXSB-MRXNPFEDSA-N 0 0 408.310 4.927 50 0 HJAARN COc1ccc(CNC(=O)Cc2csc(SCc3cccc(Cl)c3)n2)cc1 ZINC000008938250 560640593 /nfs/dbraw/zinc/64/05/93/560640593.db2.gz SGYGXAUHXYVNGP-UHFFFAOYSA-N 0 0 418.971 4.956 50 0 HJAARN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)c3ccc(OC)cc3)n2C)cc1 ZINC000001061355 560727027 /nfs/dbraw/zinc/72/70/27/560727027.db2.gz KWBIEXNWWNFILR-OAHLLOKOSA-N 0 0 411.527 4.501 50 0 HJAARN COc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)c(OC)c2)c1 ZINC000001141015 560727315 /nfs/dbraw/zinc/72/73/15/560727315.db2.gz JGVQAAGVJXKBEX-UHFFFAOYSA-N 0 0 410.857 4.862 50 0 HJAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(Br)o1 ZINC000001311680 560728270 /nfs/dbraw/zinc/72/82/70/560728270.db2.gz RYHNWLRFPSZLQQ-UHFFFAOYSA-N 0 0 403.198 4.913 50 0 HJAARN COc1ccc(OCCSc2nnc(-c3c[nH]c4ccccc43)n2C2CC2)cc1 ZINC000017882446 560729850 /nfs/dbraw/zinc/72/98/50/560729850.db2.gz CFWXXSALNZQDST-UHFFFAOYSA-N 0 0 406.511 4.941 50 0 HJAARN O=C(NC(c1ccccc1)c1ccccc1)c1ccccc1I ZINC000002912976 560732709 /nfs/dbraw/zinc/73/27/09/560732709.db2.gz LEDSDXPJDOUOEK-UHFFFAOYSA-N 0 0 413.258 4.811 50 0 HJAARN Cc1ccc(NNC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)cc1Cl ZINC000084183077 560735393 /nfs/dbraw/zinc/73/53/93/560735393.db2.gz CHICGTRDLALNNC-AWEZNQCLSA-N 0 0 400.935 4.618 50 0 HJAARN O=C(Oc1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1)c1ccc(F)cc1 ZINC000004802384 560735924 /nfs/dbraw/zinc/73/59/24/560735924.db2.gz AXCHNRUNFMTABU-NDENLUEZSA-N 0 0 405.356 4.529 50 0 HJAARN O=C(NC[C@H]1CCCN1c1nc2ccccc2o1)c1ccc(-c2cccs2)cc1 ZINC000206773802 560746452 /nfs/dbraw/zinc/74/64/52/560746452.db2.gz OVHXXLROKYGSTA-GOSISDBHSA-N 0 0 403.507 4.955 50 0 HJAARN COc1ccc(CNC(=O)N2CCCC[C@@H](c3ccc(Cl)cc3)C2)cc1OC ZINC000206881692 560748992 /nfs/dbraw/zinc/74/89/92/560748992.db2.gz JRYJXNVVZXLEMH-GOSISDBHSA-N 0 0 402.922 4.837 50 0 HJAARN Cc1cc(O[C@H]2CCN(C(=O)c3ccc(-c4cccc(Cl)c4)cc3)C2)cc(=O)o1 ZINC000206964564 560752028 /nfs/dbraw/zinc/75/20/28/560752028.db2.gz DPNQFJGTONTSJH-FQEVSTJZSA-N 0 0 409.869 4.562 50 0 HJAARN CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1cc2ccccc2o1 ZINC000008784795 560756791 /nfs/dbraw/zinc/75/67/91/560756791.db2.gz ZBQDOXOESNEBQK-UHFFFAOYSA-N 0 0 414.437 4.720 50 0 HJAARN 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CCOc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000046078463 568427456 /nfs/dbraw/zinc/42/74/56/568427456.db2.gz DXAOPZMIFARUSL-UHFFFAOYSA-N 0 0 400.478 4.931 50 0 HJAARN COc1ccccc1NC(=O)c1ccc(N2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000046079767 568427871 /nfs/dbraw/zinc/42/78/71/568427871.db2.gz PZUMVYVDQPFORE-UHFFFAOYSA-N 0 0 415.493 4.780 50 0 HJAARN O=C(Nc1ccc(-n2cncn2)cc1C(F)(F)F)N1CCC[C@H]1C1CCCCC1 ZINC000047675113 568430737 /nfs/dbraw/zinc/43/07/37/568430737.db2.gz MLTWJASEJKWUPU-SFHVURJKSA-N 0 0 407.440 4.863 50 0 HJAARN CN(Cc1nnc2n1CCCCC2)c1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000048265116 568433917 /nfs/dbraw/zinc/43/39/17/568433917.db2.gz LTPSXDWOXJHVHT-UHFFFAOYSA-N 0 0 424.961 4.966 50 0 HJAARN O=C(NCc1cn2cc(Cl)ccc2n1)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000048287727 568434680 /nfs/dbraw/zinc/43/46/80/568434680.db2.gz MADYJYYBVLXRNW-UHFFFAOYSA-N 0 0 424.287 4.802 50 0 HJAARN COc1cc(NC(=O)N2CCC[C@@H]2c2ccsc2)ccc1NC(=O)c1cccnc1 ZINC000048278523 568435731 /nfs/dbraw/zinc/43/57/31/568435731.db2.gz 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ZINC000048340438 568440249 /nfs/dbraw/zinc/44/02/49/568440249.db2.gz PKABXOGFOWZFHQ-UHFFFAOYSA-N 0 0 422.982 4.671 50 0 HJAARN Cc1ccccc1-c1cc(NC(=O)[C@H](C)OCC(F)(F)F)n(Cc2ccccc2)n1 ZINC000048343338 568440609 /nfs/dbraw/zinc/44/06/09/568440609.db2.gz RMQNEEJYCXFPQJ-INIZCTEOSA-N 0 0 417.431 4.813 50 0 HJAARN Cc1ccc(C)c(-n2ccnc2SCc2csc(CC(=O)OC(C)C)n2)c1 ZINC000048354571 568440961 /nfs/dbraw/zinc/44/09/61/568440961.db2.gz ABMRDZUNRNNMJA-UHFFFAOYSA-N 0 0 401.557 4.732 50 0 HJAARN CC(C)c1ccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000048986795 568443942 /nfs/dbraw/zinc/44/39/42/568443942.db2.gz QPXIMSLTERTQQI-UHFFFAOYSA-N 0 0 414.552 4.949 50 0 HJAARN O=C(COc1ccc(Cl)cc1Cl)N1CCC(COCc2ccccc2)CC1 ZINC000049028705 568445613 /nfs/dbraw/zinc/44/56/13/568445613.db2.gz MUKPQKFCTGPJGF-UHFFFAOYSA-N 0 0 408.325 4.828 50 0 HJAARN Cc1c(Cl)ccc2c(=O)c3c([nH]c12)CCN(CC(=O)Nc1ccc(C(C)C)cc1)C3 ZINC000049003157 568446335 /nfs/dbraw/zinc/44/63/35/568446335.db2.gz IPVIJBLLNNHULD-UHFFFAOYSA-N 0 0 423.944 4.610 50 0 HJAARN COc1ccc(C)cc1NC(=O)c1nnn(-c2ccc(C)c(C)c2)c1-c1cccnc1 ZINC000049003595 568446450 /nfs/dbraw/zinc/44/64/50/568446450.db2.gz SQXSLOFJEFVLMP-UHFFFAOYSA-N 0 0 413.481 4.515 50 0 HJAARN O=C(CSc1ccc(-n2cnc(-c3ccccc3)c2)nn1)Nc1ccc(Cl)cc1 ZINC000049401216 568447768 /nfs/dbraw/zinc/44/77/68/568447768.db2.gz IXLWILPMEWKWSK-UHFFFAOYSA-N 0 0 421.913 4.714 50 0 HJAARN O=C(Nc1nnc(C2CCCCC2)s1)c1cc(F)ccc1NC(=O)N1CCCC1 ZINC000049551464 568452083 /nfs/dbraw/zinc/45/20/83/568452083.db2.gz CAHMHNOVWPMKSJ-UHFFFAOYSA-N 0 0 417.510 4.605 50 0 HJAARN CC(C)OC(=O)C[C@@H](NC(=O)CCC(=O)c1cccs1)c1ccccc1Cl ZINC000049622777 568452680 /nfs/dbraw/zinc/45/26/80/568452680.db2.gz JIIPNMJJWSJEDV-MRXNPFEDSA-N 0 0 407.919 4.564 50 0 HJAARN Nc1cccc(S[C@@H]2CC(=O)N(c3ccc(-c4nc5ccccc5o4)cc3)C2=O)c1 ZINC000113512685 568452847 /nfs/dbraw/zinc/45/28/47/568452847.db2.gz VSQSQVVMKSGVDL-HXUWFJFHSA-N 0 0 415.474 4.501 50 0 HJAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C=Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000006651442 568456913 /nfs/dbraw/zinc/45/69/13/568456913.db2.gz WKTNLLPFHORXRJ-VAWYXSNFSA-N 0 0 420.513 4.975 50 0 HJAARN CC(=O)N[C@H](CC(=O)N[C@H](c1cccs1)c1ccccc1)c1ccc(Cl)cc1 ZINC000012270506 568457243 /nfs/dbraw/zinc/45/72/43/568457243.db2.gz ZWNSVHKBCYVGDS-KNQAVFIVSA-N 0 0 412.942 4.875 50 0 HJAARN O=C(Nc1ccc(Br)cc1)c1cc2nc(C(F)F)cc(C(F)F)n2n1 ZINC000000655746 568459463 /nfs/dbraw/zinc/45/94/63/568459463.db2.gz LQRYVBLUKQUVQH-UHFFFAOYSA-N 0 0 417.160 4.619 50 0 HJAARN O=c1oc2ccccc2cc1-c1nnc(Nc2ccc(Br)cc2)s1 ZINC000000652025 568459472 /nfs/dbraw/zinc/45/94/72/568459472.db2.gz WOBGBYHXJCCXPU-UHFFFAOYSA-N 0 0 400.257 4.818 50 0 HJAARN COc1ccc(Cl)c(NC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)c1 ZINC000000661137 568460155 /nfs/dbraw/zinc/46/01/55/568460155.db2.gz HJUIWBOSBMSRTC-UHFFFAOYSA-N 0 0 410.886 4.855 50 0 HJAARN CCOc1cc(Br)c(/C=C2/N=C(c3ccccc3)OC2=O)cc1OCC ZINC000000684228 568461796 /nfs/dbraw/zinc/46/17/96/568461796.db2.gz CUSYCPPIVHEFPF-MHWRWJLKSA-N 0 0 416.271 4.591 50 0 HJAARN Cc1ccccc1-n1c(SCC(=O)N2CCC2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000024774085 568462446 /nfs/dbraw/zinc/46/24/46/568462446.db2.gz KXWWJLVQJSECBP-UHFFFAOYSA-N 0 0 420.582 4.865 50 0 HJAARN COc1cccc(CN(C[C@@H]2CC(c3ccc(F)cc3)=NO2)C(=O)CC(C)(C)C)c1 ZINC000006872081 568462802 /nfs/dbraw/zinc/46/28/02/568462802.db2.gz JBKCOIYUWLBOKK-NRFANRHFSA-N 0 0 412.505 4.792 50 0 HJAARN C[C@H]1CN(c2ncnc3scc(-c4ccc(Br)cc4)c32)C[C@H](C)O1 ZINC000000707036 568463492 /nfs/dbraw/zinc/46/34/92/568463492.db2.gz YBNZRPRBCVXOSG-RYUDHWBXSA-N 0 0 404.333 4.734 50 0 HJAARN CCOc1ccc([C@@H]2Oc3ccc(Br)cc3C=C2[N+](=O)[O-])cc1OCC ZINC000000718285 568465826 /nfs/dbraw/zinc/46/58/26/568465826.db2.gz MLTNUTWAVASJRD-IBGZPJMESA-N 0 0 420.259 4.998 50 0 HJAARN Cc1sc2ncn(Cc3csc(COc4ccc(Cl)cc4)n3)c(=O)c2c1C ZINC000024825676 568467749 /nfs/dbraw/zinc/46/77/49/568467749.db2.gz HBNAQKQZTVAIQX-UHFFFAOYSA-N 0 0 417.943 4.812 50 0 HJAARN Cc1csc(-n2c(C)cc(C(=O)COC(=O)C3(c4ccccc4)CCC3)c2C)n1 ZINC000021732540 568467946 /nfs/dbraw/zinc/46/79/46/568467946.db2.gz NWNOSWWNOQCZLF-UHFFFAOYSA-N 0 0 408.523 4.707 50 0 HJAARN COCCn1c(SCc2ccc(OC)c(F)c2)nnc1-c1ccc(Cl)cc1 ZINC000008230469 568494552 /nfs/dbraw/zinc/49/45/52/568494552.db2.gz WWQNKSGJQWUDAC-UHFFFAOYSA-N 0 0 407.898 4.685 50 0 HJAARN Ic1ccc(C2N(c3ccccc3)CCN2c2ccccc2)o1 ZINC000000816746 568495397 /nfs/dbraw/zinc/49/53/97/568495397.db2.gz RIRWLRJUZCGVKW-UHFFFAOYSA-N 0 0 416.262 4.910 50 0 HJAARN O=C(CNc1ccc(Br)c(C(F)(F)F)c1)N1CCc2sccc2C1 ZINC000058079744 568498713 /nfs/dbraw/zinc/49/87/13/568498713.db2.gz CDNHVDQEFKFFEJ-UHFFFAOYSA-N 0 0 419.266 4.526 50 0 HJAARN O=C(c1ccccc1)N1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1 ZINC000000827809 568499811 /nfs/dbraw/zinc/49/98/11/568499811.db2.gz GTPKYIQEMDBGLB-OAQYLSRUSA-N 0 0 408.251 4.823 50 0 HJAARN CN(Cc1ccccc1N1CCCC1)C(=O)COc1ccccc1-c1ccccc1 ZINC000008390192 568499959 /nfs/dbraw/zinc/49/99/59/568499959.db2.gz QMDSCHIUWFPYBI-UHFFFAOYSA-N 0 0 400.522 4.991 50 0 HJAARN O=C(c1ccc(F)cc1I)N1CCCSc2ccccc21 ZINC000031700580 568504687 /nfs/dbraw/zinc/50/46/87/568504687.db2.gz MUHJBUXJLOKBSN-UHFFFAOYSA-N 0 0 413.255 4.573 50 0 HJAARN CCc1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2)s1 ZINC000012361437 568509597 /nfs/dbraw/zinc/50/95/97/568509597.db2.gz AYNCOPLVGBQXBT-IBGZPJMESA-N 0 0 406.960 4.559 50 0 HJAARN Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000033126106 568511235 /nfs/dbraw/zinc/51/12/35/568511235.db2.gz DMXYPHBEJSKBHH-FQEVSTJZSA-N 0 0 407.945 4.898 50 0 HJAARN CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccc(Cl)cc1 ZINC000000832556 568511520 /nfs/dbraw/zinc/51/15/20/568511520.db2.gz VAEQEZGAGVVLPX-UHFFFAOYSA-N 0 0 414.918 4.552 50 0 HJAARN O=C(Nc1ccc(F)cc1)[C@H]1CCCN(c2nccnc2Sc2ccccc2)C1 ZINC000033168781 568511566 /nfs/dbraw/zinc/51/15/66/568511566.db2.gz ULXGEIFRRRQZJM-INIZCTEOSA-N 0 0 408.502 4.622 50 0 HJAARN COc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccc(C)cc2s1 ZINC000033271467 568512345 /nfs/dbraw/zinc/51/23/45/568512345.db2.gz APJPDKDIMIYMNF-OAHLLOKOSA-N 0 0 404.495 4.582 50 0 HJAARN Cc1ccc(NC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)c(C)c1 ZINC000033271975 568512366 /nfs/dbraw/zinc/51/23/66/568512366.db2.gz AXKVCUYQVCYGAE-UHFFFAOYSA-N 0 0 406.507 4.670 50 0 HJAARN CCOc1ccc(-c2csc(Cc3nc(-c4ccc5c(c4)OCO5)no3)n2)cc1 ZINC000033298224 568513162 /nfs/dbraw/zinc/51/31/62/568513162.db2.gz XGZKJIPIXQMLIS-UHFFFAOYSA-N 0 0 407.451 4.578 50 0 HJAARN C[C@H](NC(=O)c1cccc(F)c1)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020288451 568597558 /nfs/dbraw/zinc/59/75/58/568597558.db2.gz IKRAOXRPOHZFJZ-FDDCHVKYSA-N 0 0 423.557 4.569 50 0 HJAARN CCOC(=O)c1c(-c2ccc(Cl)cc2)nn2c1NCN(Cc1ccc(C)cc1)C2 ZINC000020319970 568598948 /nfs/dbraw/zinc/59/89/48/568598948.db2.gz BCSQUPRFBSOCPJ-UHFFFAOYSA-N 0 0 410.905 4.531 50 0 HJAARN Cc1ccc(N2CCN(c3ncnc4onc(-c5ccc(Cl)cc5)c43)CC2)c(C)c1 ZINC000020330012 568599228 /nfs/dbraw/zinc/59/92/28/568599228.db2.gz AKBZNEKLIYVWFH-UHFFFAOYSA-N 0 0 419.916 4.882 50 0 HJAARN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000020366223 568601257 /nfs/dbraw/zinc/60/12/57/568601257.db2.gz PWBRHLZBEAGJCT-DTQAZKPQSA-N 0 0 412.533 4.623 50 0 HJAARN CCSc1nc2n(n1)[C@H](c1ccccc1)C(C(=O)Nc1ccc(CC)cc1)=C(C)N2 ZINC000080324674 568601660 /nfs/dbraw/zinc/60/16/60/568601660.db2.gz CLBQQPSAFRMYSP-HXUWFJFHSA-N 0 0 419.554 4.880 50 0 HJAARN CCOC(=O)c1cnc2c(c(C)nn2-c2ccc(Cl)cc2)c1NCc1ccco1 ZINC000020405106 568604782 /nfs/dbraw/zinc/60/47/82/568604782.db2.gz POPFNGMYQZLHMT-UHFFFAOYSA-N 0 0 410.861 4.764 50 0 HJAARN COc1ccccc1C(=O)n1nc(-c2ccco2)nc1NCc1ccccc1Cl ZINC000020444331 568608073 /nfs/dbraw/zinc/60/80/73/568608073.db2.gz OQSHXJAXUDNVER-UHFFFAOYSA-N 0 0 408.845 4.501 50 0 HJAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CC(=O)N2c2ccc(F)cc2)cc1 ZINC000020446083 568608557 /nfs/dbraw/zinc/60/85/57/568608557.db2.gz VDOGEDXQZSMMJX-DEOSSOPVSA-N 0 0 407.441 4.530 50 0 HJAARN Cc1noc(C)c1COc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)c1 ZINC000095444880 568611607 /nfs/dbraw/zinc/61/16/07/568611607.db2.gz HWOBHVHNYKOURE-PKTZIBPZSA-N 0 0 412.530 4.871 50 0 HJAARN Cc1cc(N2CCCC2)ccc1NC(=O)NC[C@H](c1ccccc1Cl)N(C)C ZINC000040103839 568617176 /nfs/dbraw/zinc/61/71/76/568617176.db2.gz DUAWVWQHYQQSEM-OAQYLSRUSA-N 0 0 400.954 4.673 50 0 HJAARN COc1ccc(-n2cc(C(=O)NCc3cccc(Cl)c3)c3ccccc3c2=O)cc1 ZINC000020508889 568620202 /nfs/dbraw/zinc/62/02/02/568620202.db2.gz YRJWMKCVGGHRFU-UHFFFAOYSA-N 0 0 418.880 4.583 50 0 HJAARN CCc1cc(=O)n2nc(N(C)[C@@H]3CCC[C@@H]3c3ccc(C(F)(F)F)cc3)sc2n1 ZINC000095463637 568622168 /nfs/dbraw/zinc/62/21/68/568622168.db2.gz VWSRLLYAALTCNK-HZPDHXFCSA-N 0 0 422.476 4.505 50 0 HJAARN COc1ccc(C(=O)Nc2ccc(N3CCC[C@@H]3C(C)C)c(F)c2)c(OC)c1OC ZINC000095465071 568623130 /nfs/dbraw/zinc/62/31/30/568623130.db2.gz RRAOUMYVMNECEE-GOSISDBHSA-N 0 0 416.493 4.729 50 0 HJAARN COc1ccc([C@@H]2SCC(=O)Nc3ncn(-c4cccc(Cl)c4)c32)cc1O ZINC000095473473 568628882 /nfs/dbraw/zinc/62/88/82/568628882.db2.gz NZPNGCGMXVQANC-SFHVURJKSA-N 0 0 401.875 4.664 50 0 HJAARN O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(=O)N2)c1ccc(-c2ccccc2)cc1 ZINC000095476704 568630529 /nfs/dbraw/zinc/63/05/29/568630529.db2.gz GMLAVLFVTDDXNV-QFIPXVFZSA-N 0 0 411.461 4.812 50 0 HJAARN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCCOc1ccc(Cl)cc1 ZINC000095482286 568634280 /nfs/dbraw/zinc/63/42/80/568634280.db2.gz LSGMSOXYFDWTSX-UHFFFAOYSA-N 0 0 420.296 4.861 50 0 HJAARN Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)n2)c1 ZINC000095482277 568634301 /nfs/dbraw/zinc/63/43/01/568634301.db2.gz SRJJXWNAAZHKSE-INIZCTEOSA-N 0 0 413.905 4.741 50 0 HJAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)n([C@@H]3C(=O)Nc4ccccc43)n2)cc1 ZINC000095554211 568637436 /nfs/dbraw/zinc/63/74/36/568637436.db2.gz BEMQYFVWORCCOB-DEOSSOPVSA-N 0 0 411.461 4.776 50 0 HJAARN CCn1c(C)c(C(=O)N2CCc3[nH]c4ccc(OC)cc4c3C2)c2cc(OC)ccc21 ZINC000020762326 568642599 /nfs/dbraw/zinc/64/25/99/568642599.db2.gz JAIRNBKFHPOLLS-UHFFFAOYSA-N 0 0 417.509 4.667 50 0 biogenic HJAARN Cc1ccc(-c2csc3ncc(C(=O)Nc4cccc(Cl)c4C)c(=O)n23)cc1 ZINC000020768087 568643448 /nfs/dbraw/zinc/64/34/48/568643448.db2.gz ZKGWGTNGORNTGL-UHFFFAOYSA-N 0 0 409.898 4.946 50 0 HJAARN Cc1ccc(-c2csc3ncc(C(=O)Nc4ccc(C)c(Cl)c4)c(=O)n23)cc1 ZINC000020768099 568643554 /nfs/dbraw/zinc/64/35/54/568643554.db2.gz KDIQFNVSOYDCFA-UHFFFAOYSA-N 0 0 409.898 4.946 50 0 HJAARN O=C(CSc1nc2ccccc2nc1N1CCCC1)N[C@@H]1CCCc2ccccc21 ZINC000020807661 568644041 /nfs/dbraw/zinc/64/40/41/568644041.db2.gz MERRZJQHKJPAJY-LJQANCHMSA-N 0 0 418.566 4.516 50 0 HJAARN CN1CCc2c(sc3nc(SCc4ccccc4)n(-c4ccccc4)c(=O)c32)C1 ZINC000020813562 568644264 /nfs/dbraw/zinc/64/42/64/568644264.db2.gz IDYGCWRJGYZLCI-UHFFFAOYSA-N 0 0 419.575 4.727 50 0 HJAARN Cc1ccc(C)c(N2CCN(c3nnc(Cc4ccncc4)c4ccccc43)CC2)c1 ZINC000020859997 568646059 /nfs/dbraw/zinc/64/60/59/568646059.db2.gz JJQXLFJCOOSMEG-UHFFFAOYSA-N 0 0 409.537 4.559 50 0 HJAARN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cc(F)cc(F)c1)SCC(=O)N2 ZINC000020892056 568647889 /nfs/dbraw/zinc/64/78/89/568647889.db2.gz PLWAXOPZWMPOHO-SFHVURJKSA-N 0 0 405.857 4.887 50 0 HJAARN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(F)cc1F)SCC(=O)N2 ZINC000020892004 568647984 /nfs/dbraw/zinc/64/79/84/568647984.db2.gz RTKQGOGGDZKXKJ-GOSISDBHSA-N 0 0 405.857 4.887 50 0 HJAARN COc1cccc(COc2cccc(Cl)c2CNc2nnc(C(F)(F)F)o2)c1 ZINC000225568316 568651877 /nfs/dbraw/zinc/65/18/77/568651877.db2.gz NRJPQDUSRVJNJZ-UHFFFAOYSA-N 0 0 413.783 4.942 50 0 HJAARN CCCN(CCC)C(=O)c1oc2ccccc2c1NC(=O)Cc1ccc(OC)cc1 ZINC000020942517 568652794 /nfs/dbraw/zinc/65/27/94/568652794.db2.gz SSXPCVVLPSAVCM-UHFFFAOYSA-N 0 0 408.498 4.885 50 0 HJAARN Cc1ccc(F)c(C(=O)NCCc2ccc(Br)s2)c1Br ZINC000225588461 568654963 /nfs/dbraw/zinc/65/49/63/568654963.db2.gz BUNXPBNPOWJJTD-UHFFFAOYSA-N 0 0 421.129 4.693 50 0 HJAARN Cc1ncc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)c2)o1 ZINC000021032870 568659604 /nfs/dbraw/zinc/65/96/04/568659604.db2.gz GGFUOPANSHILCG-UHFFFAOYSA-N 0 0 412.389 4.658 50 0 HJAARN C[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)c1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000095921828 568659945 /nfs/dbraw/zinc/65/99/45/568659945.db2.gz BSAXDUNXYUFZPF-JTQLQIEISA-N 0 0 413.758 4.729 50 0 HJAARN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000095938990 568661360 /nfs/dbraw/zinc/66/13/60/568661360.db2.gz KKHNVUFTBKKQDE-ZDUSSCGKSA-N 0 0 401.429 4.569 50 0 HJAARN Cc1noc(-c2ccccc2)c1NC(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000095939696 568661480 /nfs/dbraw/zinc/66/14/80/568661480.db2.gz PVISSHTVOLXZFL-UHFFFAOYSA-N 0 0 402.454 4.646 50 0 HJAARN COc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccccc3OC)C2)c(OC)c1 ZINC000095945319 568663342 /nfs/dbraw/zinc/66/33/42/568663342.db2.gz AGDIWEMYBCDYOA-LJQANCHMSA-N 0 0 422.506 4.765 50 0 HJAARN CC(=O)N1N=C(c2c(F)cccc2Cl)O[C@H]1COc1ccc(C(C)(C)C)cc1 ZINC000021093126 568664511 /nfs/dbraw/zinc/66/45/11/568664511.db2.gz SVRTXXJUGDAHMJ-SFHVURJKSA-N 0 0 404.869 4.722 50 0 HJAARN Cc1cc(C)c2c(=O)nc(SCC(=O)Nc3ccc(C(C)C)cc3)n(C3CC3)c2n1 ZINC000021098557 568665846 /nfs/dbraw/zinc/66/58/46/568665846.db2.gz ZHQUUDGNXONWOG-UHFFFAOYSA-N 0 0 422.554 4.597 50 0 HJAARN C[C@@H]1CN(C(=O)C2(c3cccc(Br)c3)CCOCC2)c2ccccc21 ZINC000095953228 568667940 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O=C(c1ccc(-n2cccc2)cc1)N1CCN(c2nc(-c3ccsc3)cs2)CC1 ZINC000096099890 568690791 /nfs/dbraw/zinc/69/07/91/568690791.db2.gz VODBFSYMRWNURL-UHFFFAOYSA-N 0 0 420.563 4.625 50 0 HJAARN Cc1ccsc1CN(C[C@H]1CCCO1)C(=O)C1=C(c2ccccc2)SCCO1 ZINC000012389421 568691426 /nfs/dbraw/zinc/69/14/26/568691426.db2.gz FOIVDMINPHKPLR-GOSISDBHSA-N 0 0 415.580 4.696 50 0 HJAARN COc1ccc(NC(=O)c2sc(-c3c(F)cccc3OC)nc2C)cc1OC ZINC000012389427 568691435 /nfs/dbraw/zinc/69/14/35/568691435.db2.gz PDEKISZCMCSLOZ-UHFFFAOYSA-N 0 0 402.447 4.536 50 0 HJAARN CO[C@@H]1CCN(c2ccc(NC(=O)NC(c3ccccc3)c3ccccc3)cc2)C1 ZINC000096122335 568700175 /nfs/dbraw/zinc/70/01/75/568700175.db2.gz CDSPDQCENKRBRM-HSZRJFAPSA-N 0 0 401.510 4.823 50 0 HJAARN COc1cccc(SCC(=O)Nc2cc(C)nn2-c2cccc(C(F)(F)F)c2)c1 ZINC000059278719 568703356 /nfs/dbraw/zinc/70/33/56/568703356.db2.gz IICFPRUMSVTAAG-UHFFFAOYSA-N 0 0 421.444 4.939 50 0 HJAARN CCOc1ccc(NC(=O)COc2ccccc2C(=O)Nc2cccc(C)c2C)cc1 ZINC000096191939 568703617 /nfs/dbraw/zinc/70/36/17/568703617.db2.gz 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568713007 /nfs/dbraw/zinc/71/30/07/568713007.db2.gz IMMHUTRAOATZNM-WDZFZDKYSA-N 0 0 411.708 4.956 50 0 HJAARN COC(=O)c1ccc(C=C(Cl)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)o1 ZINC000096256228 568713038 /nfs/dbraw/zinc/71/30/38/568713038.db2.gz SAGRFBRETZYRCS-XFFZJAGNSA-N 0 0 418.883 4.830 50 0 HJAARN Cc1cc(C)c2c(-n3cccc3)nn(CCCC(=O)Nc3c(C)cccc3C)c2n1 ZINC000021539982 568713238 /nfs/dbraw/zinc/71/32/38/568713238.db2.gz DICYHSSLZHMHCU-UHFFFAOYSA-N 0 0 401.514 4.875 50 0 HJAARN O=C(C[C@@H](c1c[nH]c2ccc(Cl)cc21)c1ccc2c(c1)OCCO2)N1CCCC1 ZINC000096276299 568715176 /nfs/dbraw/zinc/71/51/76/568715176.db2.gz KUPSAZPQIHYJNQ-QGZVFWFLSA-N 0 0 410.901 4.737 50 0 HJAARN CC(C)CNC(=O)C[C@@H](c1c[nH]c2ccc(Cl)cc21)c1ccc2c(c1)OCCO2 ZINC000096276344 568715268 /nfs/dbraw/zinc/71/52/68/568715268.db2.gz LYOATXALRGTNPA-QGZVFWFLSA-N 0 0 412.917 4.887 50 0 HJAARN Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1)[C@@H]1CCC[C@@H](C)C1 ZINC000229816475 568715493 /nfs/dbraw/zinc/71/54/93/568715493.db2.gz 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Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(C(N)=O)c2)cc1 ZINC000096287173 568719417 /nfs/dbraw/zinc/71/94/17/568719417.db2.gz UCXMFEJRVZOLOE-UHFFFAOYSA-N 0 0 414.534 4.558 50 0 HJAARN CC[C@@H](C)[C@H](NC(=O)Cc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096290219 568720131 /nfs/dbraw/zinc/72/01/31/568720131.db2.gz LMPHIWYBSFRWFH-YJYMSZOUSA-N 0 0 401.869 4.975 50 0 HJAARN O=C(CCc1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccc2nccnc2c1 ZINC000012420856 568720419 /nfs/dbraw/zinc/72/04/19/568720419.db2.gz SUTWSXFJOUEEGM-VWLOTQADSA-N 0 0 406.489 4.940 50 0 HJAARN CC[C@H](C)C1=NS(=O)(=O)c2cc(NC(=O)C3CCC3)ccc2N1c1ccccc1 ZINC000096292409 568721092 /nfs/dbraw/zinc/72/10/92/568721092.db2.gz TYLIWIFGDINYII-HNNXBMFYSA-N 0 0 411.527 4.710 50 0 HJAARN COc1cccc(-c2noc(CCN(Cc3ccccc3)C(=O)c3ccccc3)n2)c1 ZINC000096294032 568721982 /nfs/dbraw/zinc/72/19/82/568721982.db2.gz YNRMXSWRJLWEHG-UHFFFAOYSA-N 0 0 413.477 4.630 50 0 HJAARN Cc1ccc(O)c(NC(=O)c2cnn3c2N[C@@H](c2cccs2)C[C@@H]3C(F)(F)F)c1 ZINC000000866500 568723579 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COc1ccc(Cl)c(C(=O)CSc2nnc(COc3ccccc3C)o2)c1 ZINC000000870515 568727386 /nfs/dbraw/zinc/72/73/86/568727386.db2.gz CXUJNQHCWHUYAN-UHFFFAOYSA-N 0 0 404.875 4.594 50 0 HJAARN Cc1ccc(-c2cc(C(=O)N[C@@H](c3nc(-c4ccccc4)no3)C(C)C)no2)cc1 ZINC000238937403 568727393 /nfs/dbraw/zinc/72/73/93/568727393.db2.gz VCIWFXJVGFWMMP-HXUWFJFHSA-N 0 0 402.454 4.827 50 0 HJAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000239403358 568729384 /nfs/dbraw/zinc/72/93/84/568729384.db2.gz RVXTVGBYGDFFIX-GMAHTHKFSA-N 0 0 409.316 6.544 50 0 HJAARN Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000241897234 568732086 /nfs/dbraw/zinc/73/20/86/568732086.db2.gz TWVDCPGKMWRYKA-KRWDZBQOSA-N 0 0 423.485 4.907 50 0 HJAARN O=C(Nc1ccc(Cl)cc1)N1CCc2c(sc3nc(-c4ccccc4)nn23)C1 ZINC000096323885 568732897 /nfs/dbraw/zinc/73/28/97/568732897.db2.gz QSYZABGXCZXXCF-UHFFFAOYSA-N 0 0 409.902 4.701 50 0 HJAARN CCc1ccccc1NC(=O)N1CCc2c(sc3nc(-c4ccccc4)nn32)C1 ZINC000096323901 568733066 /nfs/dbraw/zinc/73/30/66/568733066.db2.gz OTFIDVBNZYRINH-UHFFFAOYSA-N 0 0 403.511 4.610 50 0 HJAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cc(C)sc3C)sc2c1 ZINC000021661119 568735942 /nfs/dbraw/zinc/73/59/42/568735942.db2.gz MVZOFULQGRBXHE-HNNXBMFYSA-N 0 0 424.551 4.951 50 0 HJAARN CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccccc2)C12CCCC2 ZINC000096344403 568737320 /nfs/dbraw/zinc/73/73/20/568737320.db2.gz ABUNHUPBGWDKIX-QHCPKHFHSA-N 0 0 404.554 4.698 50 0 HJAARN CN(CCc1noc(-c2cc3ccccc3[nH]2)n1)C(=O)c1ccccc1C(F)(F)F ZINC000096349380 568738022 /nfs/dbraw/zinc/73/80/22/568738022.db2.gz YBCAVIYCSGCQIL-UHFFFAOYSA-N 0 0 414.387 4.551 50 0 HJAARN CCc1c2cc(C)ccc2[nH]c1-c1nc(CCN(C)C(=O)c2ccc(F)cc2)no1 ZINC000096349653 568738215 /nfs/dbraw/zinc/73/82/15/568738215.db2.gz SZXOBDBIOMWZEM-UHFFFAOYSA-N 0 0 406.461 4.543 50 0 HJAARN Cc1c2cc(C)ccc2[nH]c1-c1nc(CCN(C)C(=O)c2ccc(Cl)cc2)no1 ZINC000096349702 568738300 /nfs/dbraw/zinc/73/83/00/568738300.db2.gz XYRPSJMTWWNOBW-UHFFFAOYSA-N 0 0 408.889 4.803 50 0 HJAARN O=C(c1cccc(Br)c1)N1CCC(c2cnn(-c3ccccc3)c2)CC1 ZINC000096372500 568739839 /nfs/dbraw/zinc/73/98/39/568739839.db2.gz ZLWGOIFYZNZIMM-UHFFFAOYSA-N 0 0 410.315 4.655 50 0 HJAARN C[C@@H](NC(=O)c1ccc2c(c1)CC(=O)N2Cc1cccc(F)c1)c1ccc(F)cc1 ZINC000096386284 568742837 /nfs/dbraw/zinc/74/28/37/568742837.db2.gz ONKHFTDLAKQAJM-OAHLLOKOSA-N 0 0 406.432 4.545 50 0 HJAARN Cc1cccc(-c2noc(-c3sccc3NC(=O)c3n[nH]c4ccccc43)n2)c1 ZINC000096386753 568743411 /nfs/dbraw/zinc/74/34/11/568743411.db2.gz AGZDXGFHUSCNGR-UHFFFAOYSA-N 0 0 401.451 4.902 50 0 HJAARN COc1ccc(NC(=O)c2cccc(-c3nc(-c4ccccc4)no3)c2)cc1OC ZINC000021707574 568744606 /nfs/dbraw/zinc/74/46/06/568744606.db2.gz WJGBYHHBPWSDSL-UHFFFAOYSA-N 0 0 401.422 4.673 50 0 HJAARN Cc1oc2ccn(Cc3cccc(F)c3)c(=O)c2c1C(=O)N[C@@H](C)c1ccccc1 ZINC000096396494 568744881 /nfs/dbraw/zinc/74/48/81/568744881.db2.gz WOPNGUTYOSCAFR-HNNXBMFYSA-N 0 0 404.441 4.581 50 0 HJAARN CCOc1ccc(-c2c(C)[nH]nc2NC(=O)COc2ccc(C)cc2C)cc1OCC ZINC000096399005 568747572 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ZINC000001390945 568924364 /nfs/dbraw/zinc/92/43/64/568924364.db2.gz ABCFZGHLNUJFES-UHFFFAOYSA-N 0 0 400.866 4.885 50 0 HJAARN CC(C)OCc1ccccc1CNC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000031342188 568924636 /nfs/dbraw/zinc/92/46/36/568924636.db2.gz ZJYKAKCTXZRVTK-UHFFFAOYSA-N 0 0 402.332 4.722 50 0 HJAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Oc1ccc2ccccc2c1 ZINC000001393961 568925052 /nfs/dbraw/zinc/92/50/52/568925052.db2.gz WXHRYDTWAXIISQ-UHFFFAOYSA-N 0 0 417.486 4.641 50 0 HJAARN C[C@@H](NC(=O)CCCNC(=O)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000031383125 568925199 /nfs/dbraw/zinc/92/51/99/568925199.db2.gz WGYZYBXZXHZSMI-HXUWFJFHSA-N 0 0 400.522 4.533 50 0 HJAARN CCN(c1cccc(C)c1)[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000003742085 568925506 /nfs/dbraw/zinc/92/55/06/568925506.db2.gz MJVZUQOZUYEMHB-XMMPIXPASA-N 0 0 402.494 4.973 50 0 HJAARN CC(C)C(=O)N1CCC(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)CC1 ZINC000012739298 568926660 /nfs/dbraw/zinc/92/66/60/568926660.db2.gz DUSDITBGSJPWEM-UHFFFAOYSA-N 0 0 423.538 4.922 50 0 HJAARN C[C@]1(c2ccc3noc(-c4ccc(F)cc4)c3c2)NC(=O)N(c2cccc(F)c2)N1 ZINC000001401681 568927390 /nfs/dbraw/zinc/92/73/90/568927390.db2.gz UARXESVDUXJQAY-QFIPXVFZSA-N 0 0 406.392 4.680 50 0 HJAARN O=C(Nc1ncn(-c2ncc(C(F)(F)F)cc2Cl)n1)Nc1ccc(Cl)cc1 ZINC000001405137 568927672 /nfs/dbraw/zinc/92/76/72/568927672.db2.gz IPQKDDGRJANOMX-UHFFFAOYSA-N 0 0 417.178 4.632 50 0 HJAARN COc1ccc(N2C(=O)c3cc(C)nc(SCc4ccc(F)cc4)c3C2=O)cc1 ZINC000001405540 568927847 /nfs/dbraw/zinc/92/78/47/568927847.db2.gz WLAIGMTXUVVNID-UHFFFAOYSA-N 0 0 408.454 4.631 50 0 HJAARN Cc1c([C@@H](C)NC(=O)CCc2nc3ccccc3s2)cnn1-c1ccc(F)cc1 ZINC000031562599 568928195 /nfs/dbraw/zinc/92/81/95/568928195.db2.gz SOWDPJDOZDLSCH-CQSZACIVSA-N 0 0 408.502 4.740 50 0 HJAARN CC(C)c1ccc([C@]2(C)NC(=O)N(Cc3nc4ccccc4n3C(F)F)C2=O)cc1 ZINC000031749386 568930171 /nfs/dbraw/zinc/93/01/71/568930171.db2.gz NUYRBYQIYKVVJU-QFIPXVFZSA-N 0 0 412.440 4.522 50 0 HJAARN COc1cccc(NC(=S)NCCc2c(C)[nH]c3ccc(Br)cc32)c1 ZINC000001410396 568930186 /nfs/dbraw/zinc/93/01/86/568930186.db2.gz DRRUKZXYOMXUTP-UHFFFAOYSA-N 0 0 418.360 4.777 50 0 HJAARN CCN(CC)c1ccc(-c2nnc(S[C@H](C)c3nc(C(C)(C)C)no3)n2C)cc1 ZINC000031750076 568930247 /nfs/dbraw/zinc/93/02/47/568930247.db2.gz LYMPMKOIVUBNLR-CQSZACIVSA-N 0 0 414.579 4.862 50 0 HJAARN Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)c3ccc4c(c3)OCCCO4)o2)cc1C ZINC000031773799 568930809 /nfs/dbraw/zinc/93/08/09/568930809.db2.gz GXWDVSFQHLWHPT-GOSISDBHSA-N 0 0 420.509 4.930 50 0 HJAARN COc1ccc(-c2nc(NC(=O)c3cc4ccccc4c(OC)n3)sc2C)cc1 ZINC000084057039 568933624 /nfs/dbraw/zinc/93/36/24/568933624.db2.gz JRCCIDRJKQNFQP-UHFFFAOYSA-N 0 0 405.479 4.936 50 0 HJAARN CCOC(=O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)n1 ZINC000001415750 568933692 /nfs/dbraw/zinc/93/36/92/568933692.db2.gz UMQYCWLWAIWLOC-UHFFFAOYSA-N 0 0 401.797 4.845 50 0 HJAARN COc1cc2c(cc1NC(=O)c1cc(OC)c(OC)c(OC)c1)oc1ccccc12 ZINC000004037514 568935796 /nfs/dbraw/zinc/93/57/96/568935796.db2.gz ZTMTUKJNOHELCL-UHFFFAOYSA-N 0 0 407.422 4.873 50 0 HJAARN Cc1cc(OCC(=O)c2ccc(Br)cc2)c2c(C)c(C)c(=O)oc2c1 ZINC000004042994 568935971 /nfs/dbraw/zinc/93/59/71/568935971.db2.gz GXQHJRUSZGBXJE-UHFFFAOYSA-N 0 0 401.256 4.742 50 0 biogenic HJAARN Cc1ccc([C@H](NC(=O)CCC(=O)Nc2ccc3c(c2)CCC3)c2ccncc2)cc1 ZINC000670456229 568936403 /nfs/dbraw/zinc/93/64/03/568936403.db2.gz FBFACIYITFFCGQ-SANMLTNESA-N 0 0 413.521 4.503 50 0 HJAARN Cc1ccc(C)c(Cn2cc(SCC(=O)NC[C@H]3CCCO3)c3ccccc32)c1 ZINC000004060896 568936992 /nfs/dbraw/zinc/93/69/92/568936992.db2.gz VIMGTOXFNIDOMW-HXUWFJFHSA-N 0 0 408.567 4.694 50 0 HJAARN COc1ccc(/C=C/C(=O)N2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2ccccc2OC)cc1 ZINC000004061420 568937126 /nfs/dbraw/zinc/93/71/26/568937126.db2.gz GRPDIUHLLNROLW-LMKUQVRJSA-N 0 0 421.537 4.612 50 0 biogenic HJAARN Cc1cc(NC(=O)OC(C)(C)C)ccc1NC(=O)Nc1cccc(Cn2cncn2)c1 ZINC000084093290 568937206 /nfs/dbraw/zinc/93/72/06/568937206.db2.gz VFMCQXXIZSCYHH-UHFFFAOYSA-N 0 0 422.489 4.626 50 0 HJAARN COc1ccc(-n2nc3c(c2NC(=O)Cc2cccc4ccccc42)CSC3)cc1 ZINC000004077257 568938288 /nfs/dbraw/zinc/93/82/88/568938288.db2.gz CNNNFVMGIRXMMA-UHFFFAOYSA-N 0 0 415.518 4.962 50 0 HJAARN COc1ccc([C@H]2OC(=O)N(CCC3=CCCCC3)[C@@]2(O)c2ccc(OC)cc2)cc1 ZINC000001422800 568938422 /nfs/dbraw/zinc/93/84/22/568938422.db2.gz VSSWJASGGVCXDE-ILBGXUMGSA-N 0 0 423.509 4.933 50 0 HJAARN CCOc1cc(C)c(S(=O)(=O)NCCc2c(C)[nH]c3c2cccc3Cl)cc1C ZINC000001424316 568938884 /nfs/dbraw/zinc/93/88/84/568938884.db2.gz QRSRMHRKDPKHLO-UHFFFAOYSA-N 0 0 420.962 4.666 50 0 HJAARN COc1ccc2c(c1OC)C(=O)N1C[C@@H](c3cccs3)c3c4ccccc4[nH]c3[C@@H]21 ZINC000004086675 568940462 /nfs/dbraw/zinc/94/04/62/568940462.db2.gz MBTYOUHHAPXLTE-OYHNWAKOSA-N 0 0 416.502 4.937 50 0 biogenic HJAARN COc1ccc2c(c1OC)C(=O)N1C[C@@H](c3cccs3)c3c4ccccc4[nH]c3[C@H]21 ZINC000004086669 568940612 /nfs/dbraw/zinc/94/06/12/568940612.db2.gz MBTYOUHHAPXLTE-NYHFZMIOSA-N 0 0 416.502 4.937 50 0 biogenic HJAARN O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccc2ncsc2c1 ZINC000004088417 568941289 /nfs/dbraw/zinc/94/12/89/568941289.db2.gz QNNSZRWNDGMGRO-UHFFFAOYSA-N 0 0 405.460 4.779 50 0 HJAARN COCCNC(=O)CCc1c(C)c2cc3c(-c4ccccc4)coc3c(C)c2oc1=O ZINC000004089343 568941695 /nfs/dbraw/zinc/94/16/95/568941695.db2.gz HDXXEBNABHTMPZ-UHFFFAOYSA-N 0 0 419.477 4.518 50 0 biogenic HJAARN CC(C)c1ccc(-c2csc(NC(=O)CSCC(=O)N3CCCCC3)n2)cc1 ZINC000004105561 568943102 /nfs/dbraw/zinc/94/31/02/568943102.db2.gz MZCHBGLNWBHKGZ-UHFFFAOYSA-N 0 0 417.600 4.618 50 0 HJAARN COc1ccccc1[C@H](C)NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c21 ZINC000012761640 568945830 /nfs/dbraw/zinc/94/58/30/568945830.db2.gz WODRIQAZWMRVQH-ZDUSSCGKSA-N 0 0 405.429 4.837 50 0 HJAARN O=C(NC1CCC2(CC1)OCCO2)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000084357531 568947165 /nfs/dbraw/zinc/94/71/65/568947165.db2.gz DCMVQTRVJFMYCZ-UHFFFAOYSA-N 0 0 413.326 4.532 50 0 HJAARN O=C(COC(=O)c1ccc2cc[nH]c2c1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000084383453 568948587 /nfs/dbraw/zinc/94/85/87/568948587.db2.gz LMYIETGJDWHMEV-LJQANCHMSA-N 0 0 417.292 4.995 50 0 HJAARN COc1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2C)CSC3)cc1OC ZINC000004176174 568948665 /nfs/dbraw/zinc/94/86/65/568948665.db2.gz WHKPQNRKQDBMEZ-UHFFFAOYSA-N 0 0 409.511 4.505 50 0 HJAARN CCOc1ccc(CN(CC)S(=O)(=O)c2c(Cl)cccc2Cl)cc1OC ZINC000012768085 568949393 /nfs/dbraw/zinc/94/93/93/568949393.db2.gz WSUQTNVCRKREDE-UHFFFAOYSA-N 0 0 418.342 4.612 50 0 HJAARN O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000012770133 568950565 /nfs/dbraw/zinc/95/05/65/568950565.db2.gz VDFVWTBOXZXCMN-NRFANRHFSA-N 0 0 417.534 4.542 50 0 HJAARN O=c1[nH]c(-c2ccnc(OCC(F)(F)F)c2)nc2sc(-c3ccccc3)cc21 ZINC000084560200 568951099 /nfs/dbraw/zinc/95/10/99/568951099.db2.gz UTULMHHQDCKITE-UHFFFAOYSA-N 0 0 403.385 4.655 50 0 HJAARN O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1coc2ccccc2c1=O ZINC000004194621 568951179 /nfs/dbraw/zinc/95/11/79/568951179.db2.gz YAZZNHIIUYWCJZ-UHFFFAOYSA-N 0 0 405.460 4.779 50 0 HJAARN C[C@@H]1CCc2c(sc3[nH]c(COC(=O)C4(c5ccccc5)CCCC4)nc(=O)c23)C1 ZINC000012771709 568952072 /nfs/dbraw/zinc/95/20/72/568952072.db2.gz MOVVODOOBHIMRP-OAHLLOKOSA-N 0 0 422.550 4.665 50 0 HJAARN O=C(CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)NCc1ccco1 ZINC000004221125 568952482 /nfs/dbraw/zinc/95/24/82/568952482.db2.gz BHQUEWUNDHDDKB-UHFFFAOYSA-N 0 0 411.914 4.740 50 0 HJAARN Cc1ccc(-c2csc3ncn(CCC(=O)N[C@H](C)c4ccccc4)c(=O)c23)cc1 ZINC000012772485 568952601 /nfs/dbraw/zinc/95/26/01/568952601.db2.gz MHGCYANALJGSTR-QGZVFWFLSA-N 0 0 417.534 4.701 50 0 HJAARN CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc2ccccc21 ZINC000004262982 568955653 /nfs/dbraw/zinc/95/56/53/568955653.db2.gz BOETXHNJCJUPCP-JOCHJYFZSA-N 0 0 417.534 4.670 50 0 HJAARN C[C@@H]1CN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)c2ccccc21 ZINC000084715162 568956874 /nfs/dbraw/zinc/95/68/74/568956874.db2.gz WMYCCIJQCYIBJG-CVEARBPZSA-N 0 0 414.347 4.609 50 0 HJAARN CCOc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2cccc3c2CCCC3)cc1 ZINC000012779450 568957039 /nfs/dbraw/zinc/95/70/39/568957039.db2.gz XAFNLXGVKCJAEH-UHFFFAOYSA-N 0 0 408.527 4.524 50 0 HJAARN CC[C@H](C)Sc1ccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)c(C)c1 ZINC000084726697 568957209 /nfs/dbraw/zinc/95/72/09/568957209.db2.gz QUSBHBHISJAHBU-RNVRALISSA-N 0 0 421.632 4.550 50 0 HJAARN O=C(COc1ccccc1)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1 ZINC000004273203 568957609 /nfs/dbraw/zinc/95/76/09/568957609.db2.gz YZQUBBXYHPWSKN-UHFFFAOYSA-N 0 0 409.898 4.957 50 0 HJAARN CCOc1ccc(CN(C)[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1 ZINC000012780850 568957722 /nfs/dbraw/zinc/95/77/22/568957722.db2.gz OBUIMZKEMYIYMS-CQSZACIVSA-N 0 0 409.511 4.836 50 0 HJAARN CC(C)CC(=O)Nc1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 ZINC000012782047 568958243 /nfs/dbraw/zinc/95/82/43/568958243.db2.gz OBZOHUXMGRGZLP-UHFFFAOYSA-N 0 0 402.498 4.987 50 0 HJAARN Cc1ccc(OCc2nnc(SCC(=O)c3ccccc3)n2Cc2ccco2)cc1 ZINC000004296024 568959907 /nfs/dbraw/zinc/95/99/07/568959907.db2.gz AJXDCTKVGCIIOE-UHFFFAOYSA-N 0 0 419.506 4.782 50 0 HJAARN CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc4[nH]c(C)c(C)c4c3)o2)c1 ZINC000015670844 568961646 /nfs/dbraw/zinc/96/16/46/568961646.db2.gz OJXCXDWPNMMJDZ-UHFFFAOYSA-N 0 0 420.494 4.768 50 0 HJAARN CC[C@H](C)N1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015672880 568962588 /nfs/dbraw/zinc/96/25/88/568962588.db2.gz MSKZEFINBLPADO-QMHKHESXSA-N 0 0 415.603 4.945 50 0 HJAARN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1noc3c1CSc1ccccc1-3)CC2 ZINC000015674015 568963010 /nfs/dbraw/zinc/96/30/10/568963010.db2.gz YACSYZROWDWYEB-CYBMUJFWSA-N 0 0 422.506 4.724 50 0 HJAARN COc1ccc([C@@H](NC(=O)c2ccccc2SCC(C)=O)c2ccccc2)cc1 ZINC000007984747 568964206 /nfs/dbraw/zinc/96/42/06/568964206.db2.gz QBRNJIMEEXTHLH-QHCPKHFHSA-N 0 0 405.519 4.896 50 0 HJAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCCc1ccccc1F ZINC000007987335 568965218 /nfs/dbraw/zinc/96/52/18/568965218.db2.gz MWVQGELZPJGLGS-UHFFFAOYSA-N 0 0 415.468 4.660 50 0 HJAARN CC1(C)Cc2cccc(OCC(=O)N3CCC(c4nc5ccccc5s4)CC3)c2O1 ZINC000007987969 568965602 /nfs/dbraw/zinc/96/56/02/568965602.db2.gz KJZFJIGEPLNLHD-UHFFFAOYSA-N 0 0 422.550 4.795 50 0 HJAARN O=C(N[C@H]1CCSc2ccccc21)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000007988982 568966150 /nfs/dbraw/zinc/96/61/50/568966150.db2.gz ZDUQOCRWEMNZTJ-NRFANRHFSA-N 0 0 412.518 4.901 50 0 HJAARN O=C(N[C@@H]1CCSc2ccccc21)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000007988981 568966180 /nfs/dbraw/zinc/96/61/80/568966180.db2.gz ZDUQOCRWEMNZTJ-OAQYLSRUSA-N 0 0 412.518 4.901 50 0 HJAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)/C=C/c1ccc(C)o1)CC2 ZINC000007989956 568966623 /nfs/dbraw/zinc/96/66/23/568966623.db2.gz PQEUEDFGXFEYBP-ZEWVGQQJSA-N 0 0 403.478 4.793 50 0 HJAARN O=C(CCCN1c2ccccc2Oc2ncccc2C1=O)NCc1cccc(Cl)c1 ZINC000015680024 568967013 /nfs/dbraw/zinc/96/70/13/568967013.db2.gz PBILUWJXCBNUCI-UHFFFAOYSA-N 0 0 421.884 4.584 50 0 HJAARN COc1ccc(-c2noc(CSCC(=O)Nc3ccc(Cl)cc3C)n2)cc1 ZINC000015681043 568967800 /nfs/dbraw/zinc/96/78/00/568967800.db2.gz KUCHQOWWCJQTLT-UHFFFAOYSA-N 0 0 403.891 4.579 50 0 HJAARN CC(=O)N[C@H](CC(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12)c1ccccc1 ZINC000008013264 568968377 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CCOc1ccc2oc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@H](C)C4)c(C)c2c1 ZINC000008075457 568972374 /nfs/dbraw/zinc/97/23/74/568972374.db2.gz ASJUZBZWHNLKGE-NSHDSACASA-N 0 0 412.511 4.677 50 0 HJAARN Cn1ccnc1[C@@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000008118063 568974316 /nfs/dbraw/zinc/97/43/16/568974316.db2.gz HZZZUOOPVXPHKS-SFHVURJKSA-N 0 0 408.716 4.829 50 0 HJAARN COc1ccc(-c2nnc(S[C@H](C)C(=O)c3ccc4c(c3)CCC4)o2)c(OC)c1 ZINC000008128433 568974865 /nfs/dbraw/zinc/97/48/65/568974865.db2.gz CPVCFEZSJZTJMS-CYBMUJFWSA-N 0 0 410.495 4.606 50 0 HJAARN C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)NC[C@H]1CCCO1 ZINC000008133065 568976169 /nfs/dbraw/zinc/97/61/69/568976169.db2.gz CNANDYCGCCJFMQ-QFBILLFUSA-N 0 0 407.539 4.520 50 0 HJAARN Cc1ccc(-c2nc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)cs2)cc1 ZINC000008156115 568977730 /nfs/dbraw/zinc/97/77/30/568977730.db2.gz QKHYVCVJDRWVSB-IBGZPJMESA-N 0 0 406.507 4.867 50 0 HJAARN C[C@]1(c2cccc3ccccc32)NC(=O)N(Cc2cccc(Br)c2)C1=O ZINC000008156976 568978403 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Cc1ccc(-c2noc([C@@H]3CCCN3S(=O)(=O)c3cccc(Cl)c3C)n2)cc1 ZINC000035527825 569043968 /nfs/dbraw/zinc/04/39/68/569043968.db2.gz DBLSCARBHUNVGN-KRWDZBQOSA-N 0 0 417.918 4.533 50 0 HJAARN CC(C)CCn1c2nnc(SCc3ccccc3F)n2c2ccsc2c1=O ZINC000035529051 569044129 /nfs/dbraw/zinc/04/41/29/569044129.db2.gz QFDYHCRWZKXJEM-UHFFFAOYSA-N 0 0 402.520 4.583 50 0 HJAARN CCOc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000006355174 569045182 /nfs/dbraw/zinc/04/51/82/569045182.db2.gz GLGYFYWIDQBGCN-UHFFFAOYSA-N 0 0 401.768 4.553 50 0 HJAARN COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)CCc2ccccc2)c1 ZINC000006381593 569046234 /nfs/dbraw/zinc/04/62/34/569046234.db2.gz DXQNNXQSCIBPDV-RZFJZAQRSA-N 0 0 423.553 4.531 50 0 biogenic HJAARN CCn1cc([C@@H](C)NC(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc32)c(C)n1 ZINC000006395836 569046694 /nfs/dbraw/zinc/04/66/94/569046694.db2.gz SELZZUYOZXLBMV-CQSZACIVSA-N 0 0 419.916 4.966 50 0 HJAARN Cc1nc(-c2ccc(NC(=O)c3ccccc3I)cc2)co1 ZINC000012986379 569047455 /nfs/dbraw/zinc/04/74/55/569047455.db2.gz JODONYRRIKQGOV-UHFFFAOYSA-N 0 0 404.207 4.507 50 0 HJAARN C[C@@H](Oc1ccccc1F)c1nnc(S[C@@H](C)C(=O)N(C)C2CCCCC2)o1 ZINC000012997646 569048388 /nfs/dbraw/zinc/04/83/88/569048388.db2.gz VKOJWUTWUZIXFK-KGLIPLIRSA-N 0 0 407.511 4.620 50 0 HJAARN Cc1c(C(=O)Nc2ccc(Cl)cc2)sc2ncn(CCc3ccccc3)c(=O)c12 ZINC000035672410 569048530 /nfs/dbraw/zinc/04/85/30/569048530.db2.gz PLNLMEMYNNKUEQ-UHFFFAOYSA-N 0 0 423.925 4.915 50 0 HJAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(C2SCCS2)cc1 ZINC000013006298 569049655 /nfs/dbraw/zinc/04/96/55/569049655.db2.gz NVSZJUDXYTWAKS-UHFFFAOYSA-N 0 0 414.596 4.965 50 0 HJAARN COc1ccc(-c2cnn3c2NC(=O)C[C@@H]3C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000035684714 569049672 /nfs/dbraw/zinc/04/96/72/569049672.db2.gz UKJNRZRUKCPECT-QGZVFWFLSA-N 0 0 414.824 4.523 50 0 HJAARN COc1ccccc1-c1cnn2c1NC(=O)C[C@H]2C(=O)Nc1ccc(F)c(Cl)c1 ZINC000035684789 569050016 /nfs/dbraw/zinc/05/00/16/569050016.db2.gz RZXMRITXFANUCY-INIZCTEOSA-N 0 0 414.824 4.523 50 0 HJAARN CCCn1nc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c2ccccc2c1=O ZINC000006432032 569050450 /nfs/dbraw/zinc/05/04/50/569050450.db2.gz CUVQFVVAXAFBJV-UHFFFAOYSA-N 0 0 413.477 4.638 50 0 HJAARN O=C(NCc1ccc(Cl)cc1Cl)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000006434052 569050732 /nfs/dbraw/zinc/05/07/32/569050732.db2.gz NCNOWLAYFFFJOM-UHFFFAOYSA-N 0 0 406.313 4.554 50 0 HJAARN C[C@@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1ccc(F)cc1 ZINC000013022679 569051236 /nfs/dbraw/zinc/05/12/36/569051236.db2.gz WWOTZKKWCDQLOM-QGZVFWFLSA-N 0 0 404.485 4.709 50 0 HJAARN COCCN(CCOC)c1nc(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000001773052 569052479 /nfs/dbraw/zinc/05/24/79/569052479.db2.gz PBOHEFVYHZHAJO-UHFFFAOYSA-N 0 0 406.313 4.703 50 0 HJAARN COc1ccc(NC(=O)CC2CCCC2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000006449103 569053051 /nfs/dbraw/zinc/05/30/51/569053051.db2.gz BCKOAUXYEHADLI-UHFFFAOYSA-N 0 0 422.934 4.668 50 0 HJAARN COCCNC(=O)c1cc(-c2ccccc2Cl)nn1-c1ccc(Cl)c(Cl)c1 ZINC000035726172 569053420 /nfs/dbraw/zinc/05/34/20/569053420.db2.gz FSLGYXWBXQXCSS-UHFFFAOYSA-N 0 0 424.715 4.876 50 0 HJAARN C[C@@H](NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1cc2ccccc2o1 ZINC000239328977 569054223 /nfs/dbraw/zinc/05/42/23/569054223.db2.gz JYMWFRDRGNBUEL-XLIONFOSSA-N 0 0 420.509 4.608 50 0 HJAARN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(F)cc2)cc1 ZINC000239403354 569054293 /nfs/dbraw/zinc/05/42/93/569054293.db2.gz RVQGFBUOVYBCBN-URXFXBBRSA-N 0 0 404.441 5.085 50 0 HJAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cccc(OC)c2OC)cc1 ZINC000245246051 569055408 /nfs/dbraw/zinc/05/54/08/569055408.db2.gz GSLYBNOVVGWYFI-BWKNWUBXSA-N 0 0 416.477 4.955 50 0 HJAARN Cc1cc2oc(=O)cc(CN3CCN(c4ccccc4F)CC3)c2c(C)c1Cl ZINC000054105988 569057566 /nfs/dbraw/zinc/05/75/66/569057566.db2.gz UNSIBKJXUYHJSP-UHFFFAOYSA-N 0 0 400.881 4.525 50 0 HJAARN O=C1C(Cl)=C(Nc2ccc(Oc3ccccc3)cc2)C(=O)N1Cc1ccccc1 ZINC000001903729 569057765 /nfs/dbraw/zinc/05/77/65/569057765.db2.gz MXOYXNLTFHDYAO-UHFFFAOYSA-N 0 0 404.853 4.910 50 0 HJAARN Cn1c(SCc2ccc(F)cc2Cl)nnc1-c1sc2ncccc2c1N ZINC000064370020 569058209 /nfs/dbraw/zinc/05/82/09/569058209.db2.gz DJRHXWXOBBNJOZ-UHFFFAOYSA-N 0 0 405.911 4.759 50 0 HJAARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43CO)[C@H]1CC[C@H]2OC(=O)c1ccccc1 ZINC000253497706 569058240 /nfs/dbraw/zinc/05/82/40/569058240.db2.gz HPNPWGLKVZAMPM-ODGXRGTMSA-N 0 0 410.554 4.508 50 0 HJAARN C[C@H](CCC(=O)NCCO)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253614906 569058275 /nfs/dbraw/zinc/05/82/75/569058275.db2.gz HENFUZBSUMHZKR-LAZPPEIGSA-N 0 0 419.650 4.531 50 0 HJAARN CC(C)[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)no1 ZINC000064372601 569059321 /nfs/dbraw/zinc/05/93/21/569059321.db2.gz SKCPJMDYXXUNSH-SFHVURJKSA-N 0 0 420.296 4.936 50 0 HJAARN CCc1ccccc1NC(=O)Cn1cnc2sc(C)c(-c3ccc(C)cc3)c2c1=O ZINC000001942739 569059887 /nfs/dbraw/zinc/05/98/87/569059887.db2.gz QOBPRVFQWKUNQB-UHFFFAOYSA-N 0 0 417.534 4.943 50 0 HJAARN C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000016591235 569060180 /nfs/dbraw/zinc/06/01/80/569060180.db2.gz DQZANKNRDMSXIM-NXEZZACHSA-N 0 0 402.766 4.960 50 0 HJAARN Cc1nc2ccc(Br)cc2c2c1C[C@@H]([C@](C)(Cl)Br)O2 ZINC000003983857 569060777 /nfs/dbraw/zinc/06/07/77/569060777.db2.gz CVHUBQBRMHLQCZ-JSGCOSHPSA-N 0 0 405.517 4.959 50 0 biogenic HJAARN COc1ccc2c(COC(=O)c3ccccc3OCc3ccccc3)cc(=O)oc2c1 ZINC000089467130 569060937 /nfs/dbraw/zinc/06/09/37/569060937.db2.gz HHBXSXDYLNVALC-UHFFFAOYSA-N 0 0 416.429 4.738 50 0 HJAARN CSCC[C@@H](NC(=O)COc1cc(C)ccc1C(C)C)c1nc2ccccc2[nH]1 ZINC000006506558 569061715 /nfs/dbraw/zinc/06/17/15/569061715.db2.gz HMHQPHCJWOIIIS-HXUWFJFHSA-N 0 0 411.571 4.984 50 0 HJAARN CCc1cccc(CC)c1NC(=O)COc1ncnc2ccc(Br)cc21 ZINC000006507329 569061785 /nfs/dbraw/zinc/06/17/85/569061785.db2.gz DBKARNWVKMSNPB-UHFFFAOYSA-N 0 0 414.303 4.535 50 0 HJAARN COc1ccccc1C1=NO[C@@H](CN(Cc2ccccc2)C(=O)Nc2ccccc2)C1 ZINC000035836066 569061992 /nfs/dbraw/zinc/06/19/92/569061992.db2.gz FLWCIBRRRSVWCZ-OAQYLSRUSA-N 0 0 415.493 4.923 50 0 HJAARN CCOc1ccc(CN(C)C(=O)CSc2cc(C)c3ccccc3n2)cc1OC ZINC000006509797 569062029 /nfs/dbraw/zinc/06/20/29/569062029.db2.gz QZVQWNPPACLWBH-UHFFFAOYSA-N 0 0 410.539 4.701 50 0 HJAARN Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)Nc3cccc(F)c3)C2)cc1 ZINC000064452341 569062875 /nfs/dbraw/zinc/06/28/75/569062875.db2.gz AILVOVPAEQYQIR-QGZVFWFLSA-N 0 0 406.461 4.572 50 0 HJAARN O=C(NCc1ccc(F)cc1Cl)c1ccc(-c2nccnc2N2CCCCC2)cc1 ZINC000064459790 569063017 /nfs/dbraw/zinc/06/30/17/569063017.db2.gz SHRAHAVAKIXZHB-UHFFFAOYSA-N 0 0 424.907 4.856 50 0 HJAARN Cc1cc(C(=O)Nc2sc3c(c2C(=O)N2CCCCC2)CC[C@H](C)C3)c(C)o1 ZINC000006527762 569063189 /nfs/dbraw/zinc/06/31/89/569063189.db2.gz HOCSLODJBTZXDN-ZDUSSCGKSA-N 0 0 400.544 4.961 50 0 HJAARN CCCCC(=O)N1CCN(c2nc(CCCC)nc3sc4c(c32)CCCC4)CC1 ZINC000035864938 569063275 /nfs/dbraw/zinc/06/32/75/569063275.db2.gz CSWXZHLFGGCCPM-UHFFFAOYSA-N 0 0 414.619 4.752 50 0 HJAARN CCOC(=O)c1ccc(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)cc1 ZINC000064471915 569063526 /nfs/dbraw/zinc/06/35/26/569063526.db2.gz NQSVJXXCEZEOQK-UHFFFAOYSA-N 0 0 421.472 4.920 50 0 HJAARN Cc1occc1-c1nnc(SCC(=O)N(C)c2ccccc2)n1Cc1ccccc1 ZINC000006532207 569064172 /nfs/dbraw/zinc/06/41/72/569064172.db2.gz KQMXANQWRKSBJS-UHFFFAOYSA-N 0 0 418.522 4.650 50 0 HJAARN CCC[C@H](C)NC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000006541565 569064739 /nfs/dbraw/zinc/06/47/39/569064739.db2.gz XMLRKNAJWPBHLW-AWEZNQCLSA-N 0 0 402.420 4.872 50 0 HJAARN CCCC(=O)N1CCN(c2nc([C@@H](C)CC)nc3sc4c(c32)CCCCC4)CC1 ZINC000035892302 569065009 /nfs/dbraw/zinc/06/50/09/569065009.db2.gz XNMDJIBHKUZYTP-INIZCTEOSA-N 0 0 414.619 4.922 50 0 HJAARN CCOc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)c1ccccc1OC ZINC000006554678 569065472 /nfs/dbraw/zinc/06/54/72/569065472.db2.gz MSNAJPITWAXSRH-PBXXJUDPSA-N 0 0 409.526 4.602 50 0 biogenic HJAARN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000006553649 569065554 /nfs/dbraw/zinc/06/55/54/569065554.db2.gz YANBFZGERFQDBT-UHFFFAOYSA-N 0 0 415.898 4.935 50 0 HJAARN COc1cccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3ccccc3F)c2)c1 ZINC000035910118 569065865 /nfs/dbraw/zinc/06/58/65/569065865.db2.gz SEMBPUMTPJMBCC-QHCPKHFHSA-N 0 0 422.481 4.865 50 0 HJAARN COc1cccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccc(F)cc3)cc2)c1 ZINC000035910142 569065883 /nfs/dbraw/zinc/06/58/83/569065883.db2.gz PVJLNDGIULADOM-QHCPKHFHSA-N 0 0 422.481 4.865 50 0 HJAARN COc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3cccc(F)c3)cc2)cc1 ZINC000035927276 569066563 /nfs/dbraw/zinc/06/65/63/569066563.db2.gz FQTHNKMJJGZZBN-QHCPKHFHSA-N 0 0 422.481 4.865 50 0 HJAARN CSCC[C@H](NC(=O)CCCc1c[nH]c2ccccc12)c1nc2ccccc2[nH]1 ZINC000006578979 569066969 /nfs/dbraw/zinc/06/69/69/569066969.db2.gz WAEYWHRYYLYFOM-NRFANRHFSA-N 0 0 406.555 4.978 50 0 HJAARN Cc1ccc(COCc2nn(C)c3c2CN(C(=O)Nc2cccc(Cl)c2)CC3)cc1 ZINC000064565878 569067091 /nfs/dbraw/zinc/06/70/91/569067091.db2.gz IZWJIDHIVKJWDY-UHFFFAOYSA-N 0 0 424.932 4.689 50 0 HJAARN COc1ccc(Oc2cc(-c3ccc(C(=O)NCc4ccccc4)cc3)ncn2)cc1 ZINC000064568526 569067584 /nfs/dbraw/zinc/06/75/84/569067584.db2.gz YOPHKPYYASCATR-UHFFFAOYSA-N 0 0 411.461 4.875 50 0 biogenic HJAARN Cc1cccc(C)c1NC(=O)CCCSc1ncnc2c1cnn2-c1ccccc1 ZINC000006589369 569068069 /nfs/dbraw/zinc/06/80/69/569068069.db2.gz SUXBQJWGHNHYLR-UHFFFAOYSA-N 0 0 417.538 4.943 50 0 HJAARN COc1cc(C(=O)OCc2c(C)noc2C)ccc1OCc1ccc(Cl)cc1 ZINC000006588596 569068123 /nfs/dbraw/zinc/06/81/23/569068123.db2.gz KAKYJDLLADXILF-UHFFFAOYSA-N 0 0 401.846 4.889 50 0 HJAARN COc1cc(Cl)c(C)cc1NC(=O)c1cnn(-c2ccc(Br)cc2)c1 ZINC000064581042 569068635 /nfs/dbraw/zinc/06/86/35/569068635.db2.gz QLUHNLANTVECOE-UHFFFAOYSA-N 0 0 420.694 4.858 50 0 HJAARN CCNC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C1CC1 ZINC000035978437 569069748 /nfs/dbraw/zinc/06/97/48/569069748.db2.gz MGKBBIUCSANRPI-UHFFFAOYSA-N 0 0 420.513 4.676 50 0 HJAARN CCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)CC1CC1 ZINC000035978871 569069789 /nfs/dbraw/zinc/06/97/89/569069789.db2.gz UOIRWWHINLGXBW-UHFFFAOYSA-N 0 0 404.514 4.821 50 0 HJAARN Cc1cc(C)c2c(c1)[C@H](NC(=O)COc1ccc(Oc3ccccn3)cc1)CCO2 ZINC000089582667 569070598 /nfs/dbraw/zinc/07/05/98/569070598.db2.gz AZDYKAFXQARLKU-OAQYLSRUSA-N 0 0 404.466 4.510 50 0 HJAARN Cc1oc2c(ccc3c2CN(CCCOC(C)C)CO3)c(=O)c1-c1ccc(F)cc1 ZINC000054313737 569070773 /nfs/dbraw/zinc/07/07/73/569070773.db2.gz XHQQLNZTGWHVAS-UHFFFAOYSA-N 0 0 411.473 4.875 50 0 HJAARN Cc1cc(C)n(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cc2)n1 ZINC000006604809 569071002 /nfs/dbraw/zinc/07/10/02/569071002.db2.gz OMRUHTGQSWXIAT-UHFFFAOYSA-N 0 0 406.467 4.560 50 0 HJAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3C(C)C)cc1 ZINC000004854175 569071574 /nfs/dbraw/zinc/07/15/74/569071574.db2.gz RTZFSXJJIIXOLR-AZUAARDMSA-N 0 0 401.304 4.983 50 0 HJAARN CCCOc1ccc(CN2C(=O)c3ccc4c5c(ccc(c53)C2=O)CC4)cc1OC ZINC000005050552 569071738 /nfs/dbraw/zinc/07/17/38/569071738.db2.gz ITGWQKGSHFELGR-UHFFFAOYSA-N 0 0 401.462 4.532 50 0 HJAARN Cc1cccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000006608861 569071806 /nfs/dbraw/zinc/07/18/06/569071806.db2.gz ILCYDZCWYHXVBC-FQEVSTJZSA-N 0 0 411.505 4.944 50 0 HJAARN CCC(=O)N(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1 ZINC000035980657 569071914 /nfs/dbraw/zinc/07/19/14/569071914.db2.gz ZRNWCPAMDSNDHO-UHFFFAOYSA-N 0 0 407.514 4.573 50 0 HJAARN Cc1cccc(-c2ncc(C(=O)NCc3cccnc3)c(N(C)c3ccccc3)n2)c1 ZINC000035988751 569074331 /nfs/dbraw/zinc/07/43/31/569074331.db2.gz ZQNFKVXVPZBINA-UHFFFAOYSA-N 0 0 409.493 4.545 50 0 HJAARN COc1ccc(NC(=O)Cc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc1OC ZINC000006623880 569075390 /nfs/dbraw/zinc/07/53/90/569075390.db2.gz LWVKUUFMVJSQGW-UHFFFAOYSA-N 0 0 421.449 4.663 50 0 biogenic HJAARN COc1ccc2c(C)c(CC(=O)Nc3c(C)cccc3C(C)C)c(=O)oc2c1OC ZINC000006624287 569075520 /nfs/dbraw/zinc/07/55/20/569075520.db2.gz MDSIEXUOVJFDDF-UHFFFAOYSA-N 0 0 409.482 4.732 50 0 biogenic HJAARN CCCN(C(=O)c1cc2c(nc3c(C)cccn3c2=O)s1)c1cccc(Cl)c1 ZINC000006636145 569076512 /nfs/dbraw/zinc/07/65/12/569076512.db2.gz MFPCFSGMPFEMOA-UHFFFAOYSA-N 0 0 411.914 4.928 50 0 HJAARN O=C1C[C@H](c2ccccc2Cl)c2scc(S(=O)(=O)c3ccccc3)c2N1 ZINC000064656622 569076850 /nfs/dbraw/zinc/07/68/50/569076850.db2.gz HLXVKLUHRPGFNP-CQSZACIVSA-N 0 0 403.912 4.708 50 0 HJAARN O=C(C[C@@H]1COc2ccccc2N1Cc1ccccc1)NCc1ccc(Cl)cc1 ZINC000064663342 569077573 /nfs/dbraw/zinc/07/75/73/569077573.db2.gz NEJQLAZTNSGMJQ-OAQYLSRUSA-N 0 0 406.913 4.814 50 0 HJAARN O=C(C[C@H]1COc2ccccc2N1Cc1ccccc1)NCc1ccccc1Cl ZINC000064663331 569078014 /nfs/dbraw/zinc/07/80/14/569078014.db2.gz YSBPFQXGGRYAGI-FQEVSTJZSA-N 0 0 406.913 4.814 50 0 HJAARN CCN(CC)C(=O)c1ccc(NC(=O)COc2ccc(Cl)c3ccccc23)cc1 ZINC000006642990 569078457 /nfs/dbraw/zinc/07/84/57/569078457.db2.gz IPXCBMAQAPBVPZ-UHFFFAOYSA-N 0 0 410.901 4.993 50 0 HJAARN Cc1c(S(=O)(=O)N2CCC(C)CC2)cc(-c2nc(-c3ccccc3)cs2)n1C ZINC000064668065 569078603 /nfs/dbraw/zinc/07/86/03/569078603.db2.gz WPZXDYPOQOPPAN-UHFFFAOYSA-N 0 0 415.584 4.545 50 0 HJAARN Cc1c(S(=O)(=O)N2CCCC2)cc(-c2nc(-c3ccc(Cl)cc3)cs2)n1C ZINC000064668117 569078631 /nfs/dbraw/zinc/07/86/31/569078631.db2.gz VEJCZTKDGZZIDF-UHFFFAOYSA-N 0 0 421.975 4.562 50 0 HJAARN CC[C@@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)NCc1ccc(C)o1 ZINC000064669019 569078762 /nfs/dbraw/zinc/07/87/62/569078762.db2.gz UZOZLEYAVORPMG-HSZRJFAPSA-N 0 0 401.466 4.672 50 0 HJAARN Nc1c(-c2nc(-c3cccc(Br)c3)cs2)nnn1-c1cccc(F)c1 ZINC000064664313 569079843 /nfs/dbraw/zinc/07/98/43/569079843.db2.gz XHPGRXTUMSCSJZ-UHFFFAOYSA-N 0 0 416.279 4.542 50 0 HJAARN O=C(Cc1csc2nc(-c3cccc(Br)c3)cn12)NC1CCCCC1 ZINC000064676304 569080323 /nfs/dbraw/zinc/08/03/23/569080323.db2.gz YSKCHPKBKKTDBH-UHFFFAOYSA-N 0 0 418.360 4.817 50 0 HJAARN CCNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCCC1 ZINC000006648556 569080955 /nfs/dbraw/zinc/08/09/55/569080955.db2.gz KFRFKROVVSLXMY-UHFFFAOYSA-N 0 0 400.592 4.976 50 0 HJAARN CSCC[C@H](NC(=O)Cn1ccc2ccc(Cl)cc21)c1nc2ccccc2[nH]1 ZINC000064680988 569081490 /nfs/dbraw/zinc/08/14/90/569081490.db2.gz WTWINPYGRHDMBD-SFHVURJKSA-N 0 0 412.946 4.782 50 0 HJAARN CC(C)[C@H](C)N(Cc1nc(C(=O)NC2CC2)co1)Cc1cccc(C(F)(F)F)c1 ZINC000036069159 569086053 /nfs/dbraw/zinc/08/60/53/569086053.db2.gz XFIRAWKDZKADBA-AWEZNQCLSA-N 0 0 409.452 4.632 50 0 HJAARN Cc1ccc2c(cc(NC(=O)C(C)C)cc2C(=O)NCc2ccc(F)cc2Cl)n1 ZINC000064748032 569089232 /nfs/dbraw/zinc/08/92/32/569089232.db2.gz VQKOVUODCBDXSM-UHFFFAOYSA-N 0 0 413.880 4.860 50 0 HJAARN Cc1ccc(NC(=O)Cn2c3cccc(Cl)c3c(=O)n2C(C)(C)C)c(Cl)c1 ZINC000064747971 569089252 /nfs/dbraw/zinc/08/92/52/569089252.db2.gz SLVUWFUCRYDLFN-UHFFFAOYSA-N 0 0 406.313 4.812 50 0 HJAARN Cc1ccc(C2=NO[C@H](CN(Cc3ccc(C(F)(F)F)cc3)C(=O)C3CC3)C2)cc1 ZINC000006694998 569091458 /nfs/dbraw/zinc/09/14/58/569091458.db2.gz WDTRRHISTYZHTH-FQEVSTJZSA-N 0 0 416.443 4.946 50 0 HJAARN Cc1ccccc1OC[C@@H](O)CN(Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000036104210 569092400 /nfs/dbraw/zinc/09/24/00/569092400.db2.gz ACIHCTHQKSUFBC-QFIPXVFZSA-N 0 0 415.455 4.854 50 0 HJAARN CCOc1ccc([C@H](c2sc3nc(CC)nn3c2[O-])[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000036104863 569092554 /nfs/dbraw/zinc/09/25/54/569092554.db2.gz CAGJIBIIVMKPNX-YZVOILCLSA-N 0 0 414.575 4.525 50 0 HJAARN CCOc1ccc(-c2cc3c(=O)n(Cc4ccc(Cl)cc4)ccn3n2)cc1Cl ZINC000064774983 569093345 /nfs/dbraw/zinc/09/33/45/569093345.db2.gz ZKXDYFNPAFZQBI-UHFFFAOYSA-N 0 0 414.292 4.917 50 0 HJAARN Cc1ccc(C(=O)N2CCc3ccc(CNC(=O)Cc4ccccc4Cl)cc32)cc1 ZINC000064775790 569093549 /nfs/dbraw/zinc/09/35/49/569093549.db2.gz XZLSECMNDSXFPH-UHFFFAOYSA-N 0 0 418.924 4.710 50 0 HJAARN CCCN(Cc1cc(NC(=O)c2ccco2)ccc1N(C)C)C(=O)c1cccc(F)c1 ZINC000006708956 569095514 /nfs/dbraw/zinc/09/55/14/569095514.db2.gz KGZHTXQLTLANKF-UHFFFAOYSA-N 0 0 423.488 4.789 50 0 HJAARN CCNC(=O)N(Cc1csc(COc2cc(Cl)ccc2Cl)n1)C(C)C ZINC000036124548 569095528 /nfs/dbraw/zinc/09/55/28/569095528.db2.gz WPCYMKPQQKSSMN-UHFFFAOYSA-N 0 0 402.347 4.969 50 0 HJAARN CCn1c(SCc2ccc(OC)c(F)c2)nnc1-c1sc2ncccc2c1N ZINC000064794267 569096259 /nfs/dbraw/zinc/09/62/59/569096259.db2.gz LQQKMPCLNOORAW-UHFFFAOYSA-N 0 0 415.519 4.597 50 0 HJAARN CC[C@H](C)N(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)C(=O)NC(C)C ZINC000006712964 569096914 /nfs/dbraw/zinc/09/69/14/569096914.db2.gz CHUIWTMKHLOCBX-KRWDZBQOSA-N 0 0 404.599 4.846 50 0 HJAARN CC(C)C(=O)N(Cc1cc(NC(=O)NC(C)(C)C)ccc1N(C)C)[C@@H](C)C(C)C ZINC000006711898 569097151 /nfs/dbraw/zinc/09/71/51/569097151.db2.gz MOWJFHRYKUXOAB-KRWDZBQOSA-N 0 0 404.599 4.702 50 0 HJAARN Cc1cc(Nc2ccc(NC(=O)c3ccccc3F)cc2)nc(N2CCCCC2)n1 ZINC000064800951 569097570 /nfs/dbraw/zinc/09/75/70/569097570.db2.gz IMPXWYVMGCISCN-UHFFFAOYSA-N 0 0 405.477 4.910 50 0 HJAARN O=C(Cc1ccc(-c2ccccc2)cc1)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000006719651 569097853 /nfs/dbraw/zinc/09/78/53/569097853.db2.gz VASZRVRWHJRVHR-UHFFFAOYSA-N 0 0 403.869 4.916 50 0 HJAARN COc1ccc(N2C(=O)C[C@]2(C(=O)Nc2c(C)cccc2C)c2ccccc2)cc1 ZINC000006719823 569098080 /nfs/dbraw/zinc/09/80/80/569098080.db2.gz RXRUEKGTMXUFRY-RUZDIDTESA-N 0 0 400.478 4.583 50 0 HJAARN CCC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccco2)C(=O)c2cccs2)c1 ZINC000006722198 569099462 /nfs/dbraw/zinc/09/94/62/569099462.db2.gz JMXFCXYRCZZTGJ-UHFFFAOYSA-N 0 0 411.527 4.598 50 0 HJAARN CCCN(Cc1cc(NC(=O)CC)ccc1N(C)C)C(=O)c1ccccc1Cl ZINC000006723252 569100296 /nfs/dbraw/zinc/10/02/96/569100296.db2.gz ABRVTXHLVAVQMW-UHFFFAOYSA-N 0 0 401.938 4.807 50 0 HJAARN Cc1ccc2c(c1)[C@]1(SCCN1C(=O)C1CCCC1)C(=O)N2Cc1ccc(F)cc1 ZINC000036152714 569100297 /nfs/dbraw/zinc/10/02/97/569100297.db2.gz KCGZMZFGVVHGQJ-DEOSSOPVSA-N 0 0 424.541 4.599 50 0 HJAARN Cc1ccccc1CN1c2ccccc2[C@]2(SCCN2C(=O)c2cccs2)C1=O ZINC000036152581 569100321 /nfs/dbraw/zinc/10/03/21/569100321.db2.gz DLWNGCLBZAUMIT-QHCPKHFHSA-N 0 0 420.559 4.645 50 0 HJAARN CCN1c2ccc(F)cc2[C@@]2(SC(C)(C)CN2C(=O)Nc2ccccc2F)C1=O ZINC000036151237 569100503 /nfs/dbraw/zinc/10/05/03/569100503.db2.gz CYQHTSNOVSUFEY-OAQYLSRUSA-N 0 0 417.481 4.544 50 0 HJAARN CCc1cccc2c([C@@H](CC(=O)NCc3ccncc3)c3ccccc3OC)c[nH]c21 ZINC000006724834 569100718 /nfs/dbraw/zinc/10/07/18/569100718.db2.gz DCAZGOREEALYCQ-QFIPXVFZSA-N 0 0 413.521 4.972 50 0 HJAARN CCn1nc(C)c2nc(SCc3ccccc3)n(Cc3ccc(Cl)cc3)c(=O)c21 ZINC000064817207 569100809 /nfs/dbraw/zinc/10/08/09/569100809.db2.gz ABQVXXNKXCLWNB-UHFFFAOYSA-N 0 0 424.957 4.915 50 0 HJAARN CCn1nc(C)c2nc(SCc3ccccc3Cl)n(Cc3ccco3)c(=O)c21 ZINC000064817510 569100934 /nfs/dbraw/zinc/10/09/34/569100934.db2.gz KZHWOKYAGFDEIN-UHFFFAOYSA-N 0 0 414.918 4.508 50 0 HJAARN Cc1ccccc1NC(=O)[C@H]1CCCN(c2nc3ccccc3nc2C(F)(F)F)C1 ZINC000064819081 569101872 /nfs/dbraw/zinc/10/18/72/569101872.db2.gz VXQVXORWGAMQMJ-HNNXBMFYSA-N 0 0 414.431 4.812 50 0 HJAARN O=C(Nc1ccccc1[C@H]1SCC(=O)N1c1ccc(F)cc1F)c1ccccc1 ZINC000006734462 569104287 /nfs/dbraw/zinc/10/42/87/569104287.db2.gz GOSKRZKXYWLFJL-JOCHJYFZSA-N 0 0 410.445 4.996 50 0 HJAARN Cc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)COc3ccccc3)c2)cc1 ZINC000006734868 569104412 /nfs/dbraw/zinc/10/44/12/569104412.db2.gz RGJYCBUHHFOMQW-DEOSSOPVSA-N 0 0 418.518 4.791 50 0 HJAARN COc1ccc(-c2c(C)noc2C)cc1S(=O)(=O)Nc1ccc(F)cc1Cl ZINC000064837426 569104504 /nfs/dbraw/zinc/10/45/04/569104504.db2.gz YBAUCBPZFLQJQN-UHFFFAOYSA-N 0 0 410.854 4.560 50 0 HJAARN Cc1cccc(-c2noc(CN(C(=O)COc3cc(C)cc(C)c3C)C(C)C)n2)c1 ZINC000006736999 569104767 /nfs/dbraw/zinc/10/47/67/569104767.db2.gz RQHXAIADZRKBIC-UHFFFAOYSA-N 0 0 407.514 4.786 50 0 HJAARN Cc1cc(OCC(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc(C)c1Cl ZINC000006736982 569104782 /nfs/dbraw/zinc/10/47/82/569104782.db2.gz OWOLRHICPHWJJO-UHFFFAOYSA-N 0 0 413.905 4.823 50 0 HJAARN Cc1cc(NC(=O)N(C)CCc2noc(C3CCCCC3)n2)ccc1Br ZINC000064839738 569105325 /nfs/dbraw/zinc/10/53/25/569105325.db2.gz HBEGUASFFRRKCF-UHFFFAOYSA-N 0 0 421.339 4.895 50 0 HJAARN O=C(COc1ccccc1)Nc1c2ccccc2oc1C(=O)Nc1cccc(F)c1 ZINC000006739241 569105910 /nfs/dbraw/zinc/10/59/10/569105910.db2.gz SOHNUTGPSRKGBC-UHFFFAOYSA-N 0 0 404.397 4.842 50 0 HJAARN C[C@H](CNC(=O)CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000064846657 569108172 /nfs/dbraw/zinc/10/81/72/569108172.db2.gz CQUQZGOJUOODJA-QGZVFWFLSA-N 0 0 413.949 4.894 50 0 HJAARN CCOc1ccc(-c2cn3c4ccc(C(=O)NC[C@@H]5CCCO5)cc4sc3n2)cc1 ZINC000006748841 569108853 /nfs/dbraw/zinc/10/88/53/569108853.db2.gz OVENVXKHMNJVJF-SFHVURJKSA-N 0 0 421.522 4.524 50 0 HJAARN COc1ccccc1C(=O)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064858471 569108933 /nfs/dbraw/zinc/10/89/33/569108933.db2.gz QHADJFUQKNBTBM-UHFFFAOYSA-N 0 0 407.901 4.696 50 0 biogenic HJAARN Cc1ccc(-c2nc(C(=O)Nc3ccc4c(c3)OCCO4)c3n2CCCCC3)cc1 ZINC000006749238 569109018 /nfs/dbraw/zinc/10/90/18/569109018.db2.gz HKXORAYAFNDGNQ-UHFFFAOYSA-N 0 0 403.482 4.608 50 0 HJAARN Cc1c(NC(=O)Nc2c(C)cccc2C)sc2nc3n(c(=O)c12)CC[C@H](C)CC3 ZINC000006750148 569109167 /nfs/dbraw/zinc/10/91/67/569109167.db2.gz KOHNEQCOHNWHTA-GFCCVEGCSA-N 0 0 410.543 5.000 50 0 HJAARN CN(C(=O)Cn1c2cnccc2nc1SCc1ccccc1F)c1ccccc1 ZINC000006752311 569110270 /nfs/dbraw/zinc/11/02/70/569110270.db2.gz WFGPFFTYTNXFMB-UHFFFAOYSA-N 0 0 406.486 4.526 50 0 HJAARN CC[C@@H](C(=O)NC1CCCC1)n1c2cnccc2nc1SCc1ccc(F)cc1 ZINC000006752259 569110274 /nfs/dbraw/zinc/11/02/74/569110274.db2.gz BEWZXTLYAQWQPG-IBGZPJMESA-N 0 0 412.534 4.873 50 0 HJAARN CCNC(=O)N(Cc1ccccc1Cl)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000006753652 569110674 /nfs/dbraw/zinc/11/06/74/569110674.db2.gz DCNFPZVCXDOVME-QGZVFWFLSA-N 0 0 406.313 4.718 50 0 HJAARN COC(=O)CC1=CC(SCC(=O)Nc2ccccc2Cl)=Nc2ccccc2N1 ZINC000064869488 569112283 /nfs/dbraw/zinc/11/22/83/569112283.db2.gz RKBPJCZFIAHGQC-UHFFFAOYSA-N 0 0 415.902 4.614 50 0 HJAARN C[C@H]1c2cc3c(cc2CCN1C(=O)c1cccnc1Oc1ccccc1)OCCCO3 ZINC000006758146 569112961 /nfs/dbraw/zinc/11/29/61/569112961.db2.gz XIFCFWKEKLEMMA-KRWDZBQOSA-N 0 0 416.477 4.795 50 0 HJAARN CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccsc1C(=O)Nc1ccc(F)cc1 ZINC000064872102 569113551 /nfs/dbraw/zinc/11/35/51/569113551.db2.gz MEMSFYOSBHRGCI-UHFFFAOYSA-N 0 0 424.906 4.618 50 0 HJAARN CCc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(C)cc2)cc1 ZINC000064871894 569113617 /nfs/dbraw/zinc/11/36/17/569113617.db2.gz PNDFAFLNDJOBHC-UHFFFAOYSA-N 0 0 414.552 4.696 50 0 HJAARN Cc1cccc(-c2cc(N3CCC(C(=O)NCc4ccccc4Cl)CC3)ncn2)c1 ZINC000064872732 569113677 /nfs/dbraw/zinc/11/36/77/569113677.db2.gz OBMCXGSFYGDYNZ-UHFFFAOYSA-N 0 0 420.944 4.638 50 0 HJAARN COc1ccc(CCNC(=O)c2oc3ccc4c(c3c2C)C=CC(C)(C)O4)cc1OC ZINC000006768088 569115669 /nfs/dbraw/zinc/11/56/69/569115669.db2.gz YBYJRUXGMGJFMN-UHFFFAOYSA-N 0 0 421.493 4.915 50 0 HJAARN COc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000036246566 569116749 /nfs/dbraw/zinc/11/67/49/569116749.db2.gz DXUVDAIKDNXMPN-UHFFFAOYSA-N 0 0 415.486 4.547 50 0 HJAARN COc1cccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000036246987 569116878 /nfs/dbraw/zinc/11/68/78/569116878.db2.gz VNOIQRQQHNLPOQ-UHFFFAOYSA-N 0 0 405.878 4.883 50 0 HJAARN COc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2F)c2ccc(C)cc2)cc1 ZINC000036247256 569116925 /nfs/dbraw/zinc/11/69/25/569116925.db2.gz BQYMJVWVGHJYMO-UHFFFAOYSA-N 0 0 403.450 4.677 50 0 HJAARN COc1ccc(N(Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2C)cc1OC 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HJAARN CCOC(=O)Cn1nc(C)c2c1NC(=O)C[C@@H]2c1cccc(Oc2ccccc2)c1 ZINC000071283793 569251964 /nfs/dbraw/zinc/25/19/64/569251964.db2.gz WWDXSMGZXJABJX-LJQANCHMSA-N 0 0 405.454 4.671 50 0 HJAARN COc1cccc(C(=O)N2c3ncnn3[C@@H](c3ccccc3)C[C@H]2c2ccc(C)cc2)c1 ZINC000010059791 569253026 /nfs/dbraw/zinc/25/30/26/569253026.db2.gz TZTTUFFGQPGCOK-BJKOFHAPSA-N 0 0 424.504 4.976 50 0 HJAARN COc1ccc([C@H]2C[C@H](c3ccc(C)cc3)N(C(=O)c3ccccc3)c3ncnn32)cc1 ZINC000010060348 569253096 /nfs/dbraw/zinc/25/30/96/569253096.db2.gz SSDGRVLHMXLRET-DNQXCXABSA-N 0 0 424.504 4.976 50 0 HJAARN COc1ccc([C@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)c2ccc(C)cc2)cc1 ZINC000010060275 569253102 /nfs/dbraw/zinc/25/31/02/569253102.db2.gz BFNOXHJECMWYKS-RPWUZVMVSA-N 0 0 424.504 4.976 50 0 HJAARN COc1ccccc1[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2cccc(C)c2)c2ncnn21 ZINC000010060403 569253237 /nfs/dbraw/zinc/25/32/37/569253237.db2.gz LHPTXKOBYJDALC-PKTZIBPZSA-N 0 0 424.504 4.976 50 0 HJAARN COc1cccc(C(=O)N(Cc2ccncc2)c2nc3c(cccc3F)s2)c1OC ZINC000010254261 569254203 /nfs/dbraw/zinc/25/42/03/569254203.db2.gz OCUGSMLRARDGIQ-UHFFFAOYSA-N 0 0 423.469 4.695 50 0 HJAARN O=C(Nc1ccc(CN2CCOCC2)cc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013324851 569254983 /nfs/dbraw/zinc/25/49/83/569254983.db2.gz WAFXCPGZBPNRIP-UHFFFAOYSA-N 0 0 413.827 4.835 50 0 HJAARN Cc1ccccc1NC(=S)Nc1ccn(Cc2ccc(Br)cc2)n1 ZINC000013330796 569255131 /nfs/dbraw/zinc/25/51/31/569255131.db2.gz FVXGLNSJAAKODO-UHFFFAOYSA-N 0 0 401.333 4.811 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)[C@@H](Sc1ncnc2[nH]cnc21)c1ccccc1 ZINC000013578855 569256215 /nfs/dbraw/zinc/25/62/15/569256215.db2.gz XDDGPPCKTIQMTN-KRWDZBQOSA-N 0 0 409.902 4.787 50 0 HJAARN Cc1ccc(CNC(=O)/C(=C/c2c[nH]c3ccccc23)NC(=O)c2ccccc2)cc1 ZINC000013579502 569256468 /nfs/dbraw/zinc/25/64/68/569256468.db2.gz RJIWHFYPFNFUNB-IWIPYMOSSA-N 0 0 409.489 4.564 50 0 HJAARN Cc1cc2nc(N3CCN(C(=O)Cc4ccc5ccccc5c4)CC3)sc2c(C)c1 ZINC000013973130 569258415 /nfs/dbraw/zinc/25/84/15/569258415.db2.gz GPHALQQASIDNRG-UHFFFAOYSA-N 0 0 415.562 4.958 50 0 HJAARN COc1ccc2c(CC(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4s3)coc2c1 ZINC000014498401 569260135 /nfs/dbraw/zinc/26/01/35/569260135.db2.gz FIJNIYPPQJNYNK-KRWDZBQOSA-N 0 0 422.506 4.806 50 0 HJAARN O=C(c1nc(-c2ccccc2)n(-c2cccc(Cl)c2)n1)N1CCc2ccccc2C1 ZINC000014609472 569260606 /nfs/dbraw/zinc/26/06/06/569260606.db2.gz GXNKQOQXRWNGIN-UHFFFAOYSA-N 0 0 414.896 4.786 50 0 HJAARN CN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2)n(-c2cccc(Cl)c2)n1 ZINC000014609463 569260637 /nfs/dbraw/zinc/26/06/37/569260637.db2.gz MKJRRZIMPYOWQC-UHFFFAOYSA-N 0 0 402.885 4.860 50 0 HJAARN Cc1cc2ccccc2n1CC(=O)Nc1sc(C)c(-c2ccccc2)c1C(N)=O ZINC000089610733 569261184 /nfs/dbraw/zinc/26/11/84/569261184.db2.gz NNCGAMBPKREGMX-UHFFFAOYSA-N 0 0 403.507 4.724 50 0 HJAARN Cc1cc(C)c(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)c(Cl)c1 ZINC000014669557 569262500 /nfs/dbraw/zinc/26/25/00/569262500.db2.gz NMTXIRBHZOXUFS-UHFFFAOYSA-N 0 0 424.925 4.523 50 0 HJAARN Cn1ncc(CNc2nc(-c3ccccc3)nc3scc(-c4ccccc4)c32)c1N ZINC000089741036 569263259 /nfs/dbraw/zinc/26/32/59/569263259.db2.gz AIALMKRZAFHWNW-UHFFFAOYSA-N 0 0 412.522 4.953 50 0 HJAARN Cc1oc(-c2ccccc2)nc1COC(=O)c1nnn(-c2cccc(Cl)c2)c1C ZINC000016842451 569264771 /nfs/dbraw/zinc/26/47/71/569264771.db2.gz PTNYEYRQBLRPFD-UHFFFAOYSA-N 0 0 408.845 4.550 50 0 HJAARN O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)N1CCC[C@H]1C1CCCC1 ZINC000089800390 569266080 /nfs/dbraw/zinc/26/60/80/569266080.db2.gz IHAMICQVNZUZEK-DOTOQJQBSA-N 0 0 412.477 4.690 50 0 HJAARN O=C(c1ccnc(Cl)c1F)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000089884760 569267586 /nfs/dbraw/zinc/26/75/86/569267586.db2.gz FYGREWRNCLGZLH-ZDUSSCGKSA-N 0 0 407.631 4.534 50 0 HJAARN O=S(=O)(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc2c(c1)OCCO2 ZINC000089878636 569267588 /nfs/dbraw/zinc/26/75/88/569267588.db2.gz XIHQJOPQBROTGB-UHFFFAOYSA-N 0 0 424.503 4.535 50 0 HJAARN O=C(c1ccnc(Cl)c1F)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 ZINC000089884761 569267735 /nfs/dbraw/zinc/26/77/35/569267735.db2.gz FYGREWRNCLGZLH-CYBMUJFWSA-N 0 0 407.631 4.534 50 0 HJAARN COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)c1 ZINC000016943167 569267979 /nfs/dbraw/zinc/26/79/79/569267979.db2.gz QGWIQVYNQRKLSA-UHFFFAOYSA-N 0 0 416.477 4.549 50 0 HJAARN COc1ccc2cc([C@H]3CC(c4ccccc4OC)=NN3C(C)=O)c(Cl)nc2c1 ZINC000089930433 569269037 /nfs/dbraw/zinc/26/90/37/569269037.db2.gz PCVAWOKBWLRKGE-HXUWFJFHSA-N 0 0 409.873 4.603 50 0 HJAARN COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 ZINC000016960721 569269099 /nfs/dbraw/zinc/26/90/99/569269099.db2.gz GCNKCTSNXFSZJW-UHFFFAOYSA-N 0 0 422.506 4.611 50 0 HJAARN Cc1ccc(C(=O)N2CCN(c3cc(Oc4ccccc4Cl)ncn3)C[C@@H]2C)cc1 ZINC000037355789 569271730 /nfs/dbraw/zinc/27/17/30/569271730.db2.gz QAUIGOJAFUERKQ-KRWDZBQOSA-N 0 0 422.916 4.582 50 0 HJAARN COc1ccc(C)cc1NC(=O)Cc1csc(NC(=O)c2ccc(Cl)cc2)n1 ZINC000017026353 569271848 /nfs/dbraw/zinc/27/18/48/569271848.db2.gz LWSAVQBEMXDMQO-UHFFFAOYSA-N 0 0 415.902 4.547 50 0 HJAARN Cc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 ZINC000017043592 569272241 /nfs/dbraw/zinc/27/22/41/569272241.db2.gz FSJROKCBJBSLCE-UHFFFAOYSA-N 0 0 422.531 4.684 50 0 HJAARN COc1cc(C(C)=O)ccc1OC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000014789354 569273402 /nfs/dbraw/zinc/27/34/02/569273402.db2.gz KDFPWSAOOKKDQA-UHFFFAOYSA-N 0 0 406.463 4.826 50 0 HJAARN O=C(NCc1cccc(Cl)c1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000017117722 569274991 /nfs/dbraw/zinc/27/49/91/569274991.db2.gz ALTJIYOPXFIKHM-UHFFFAOYSA-N 0 0 406.913 4.662 50 0 HJAARN CC(C)c1ccc(N(C(=O)c2cccc(C(F)(F)F)c2)[C@H]2C=CS(=O)(=O)C2)cc1 ZINC000017113639 569275007 /nfs/dbraw/zinc/27/50/07/569275007.db2.gz BLOLOCBTNVRNRT-IBGZPJMESA-N 0 0 423.456 4.786 50 0 HJAARN O[C@H](COc1ccc(Br)cc1)CN(Cc1ccccc1)c1ccccc1 ZINC000000938381 569276975 /nfs/dbraw/zinc/27/69/75/569276975.db2.gz DJULZTYWJOHOSU-NRFANRHFSA-N 0 0 412.327 4.896 50 0 HJAARN O=C(NCc1cccs1)c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000001062169 569277230 /nfs/dbraw/zinc/27/72/30/569277230.db2.gz HAQFNNSPIUYCPR-CVEARBPZSA-N 0 0 406.433 4.535 50 0 HJAARN COC(=O)/C(=C/c1ccc(Br)cc1)NC(=O)c1cccc2ccccc21 ZINC000001115100 569277357 /nfs/dbraw/zinc/27/73/57/569277357.db2.gz QKXWOGVZKKOSQM-UYRXBGFRSA-N 0 0 410.267 4.546 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCOc1ccccc1Br ZINC000054430210 569280605 /nfs/dbraw/zinc/28/06/05/569280605.db2.gz VBIBWNMIVRPMSZ-UHFFFAOYSA-N 0 0 414.303 4.659 50 0 HJAARN C[C@H](C(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)n1cccn1 ZINC000027127258 569280862 /nfs/dbraw/zinc/28/08/62/569280862.db2.gz WSSXOHMSRMSWMZ-GFCCVEGCSA-N 0 0 403.269 4.642 50 0 HJAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c(C)c1 ZINC000000643199 569281782 /nfs/dbraw/zinc/28/17/82/569281782.db2.gz PMRKSJQUEPPEGH-UHFFFAOYSA-N 0 0 415.522 4.677 50 0 HJAARN CCn1c(SCC(=O)Nc2cccc3ccccc32)nc2sc(C)c(C)c2c1=O ZINC000000976457 569282388 /nfs/dbraw/zinc/28/23/88/569282388.db2.gz YXLBKLLVBRKKSO-UHFFFAOYSA-N 0 0 423.563 4.979 50 0 HJAARN Cc1oc2cc(OC(=O)c3ccc4c(c3)OCO4)ccc2c(=O)c1-c1ccccc1 ZINC000002105356 569282926 /nfs/dbraw/zinc/28/29/26/569282926.db2.gz LBCLEYQVZKUDGB-UHFFFAOYSA-N 0 0 400.386 4.716 50 0 biogenic HJAARN Nc1c2c(nn1-c1ccccc1)nc(N1CCCCC1)nc2-c1ccc(F)c(Cl)c1 ZINC000037360906 569283555 /nfs/dbraw/zinc/28/35/55/569283555.db2.gz HFGKADYXLUKQKT-UHFFFAOYSA-N 0 0 422.895 4.848 50 0 HJAARN Cc1cccc(-c2nc(NC3CC3)nc3nn(-c4ccc(C(F)(F)F)cc4)c(N)c32)c1 ZINC000037361372 569283693 /nfs/dbraw/zinc/28/36/93/569283693.db2.gz ULKPWNOZOHBKOK-UHFFFAOYSA-N 0 0 424.430 4.966 50 0 HJAARN CCCCCN(Cc1ccc(F)cc1)CN1C(=O)NC2(C1=O)[C@H](C)CCC[C@H]2C ZINC000252457383 569286588 /nfs/dbraw/zinc/28/65/88/569286588.db2.gz DNTUVPFPJQMNAZ-QZTJIDSGSA-N 0 0 403.542 4.522 50 0 HJAARN COc1ccc(-c2nnc(NC(=O)c3ccccc3Oc3ccccc3)o2)cc1OC ZINC000007595787 569287679 /nfs/dbraw/zinc/28/76/79/569287679.db2.gz BWGJSAGLOWBEPC-UHFFFAOYSA-N 0 0 417.421 4.798 50 0 HJAARN COc1ccc(C(=O)Oc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2)cc1 ZINC000002140656 569289289 /nfs/dbraw/zinc/28/92/89/569289289.db2.gz HUZZMKCNTGBNSF-UHFFFAOYSA-N 0 0 400.430 4.920 50 0 biogenic HJAARN CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C ZINC000002148221 569289784 /nfs/dbraw/zinc/28/97/84/569289784.db2.gz DKFSENSUQISSIR-XIKOKIGWSA-N 0 0 417.502 4.563 50 0 biogenic HJAARN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCS[C@H](c2ccccc2)CC1 ZINC000208044303 569290608 /nfs/dbraw/zinc/29/06/08/569290608.db2.gz ZALLJFNKRZTCJC-KRWDZBQOSA-N 0 0 401.475 4.574 50 0 HJAARN Nc1cc2c(cc1C1=NC(c3ccccc3)(c3ccccc3)c3ccccc3N1)OCO2 ZINC000252500635 569291139 /nfs/dbraw/zinc/29/11/39/569291139.db2.gz SZONONQHDCQUKS-UHFFFAOYSA-N 0 0 419.484 4.971 50 0 HJAARN CC[C@@H](C)COC(=O)c1c(N)n(Cc2ccc(C)cc2)c2nc3ccccc3nc12 ZINC000002193454 569293894 /nfs/dbraw/zinc/29/38/94/569293894.db2.gz OBCMHJMLDKZIFH-OAHLLOKOSA-N 0 0 402.498 4.726 50 0 HJAARN CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1cc(Cl)ccc1Cl ZINC000002195492 569294507 /nfs/dbraw/zinc/29/45/07/569294507.db2.gz HUIYTOYVQTWOOA-UHFFFAOYSA-N 0 0 406.273 4.506 50 0 HJAARN Cc1cccc(Cc2nc3ccccc3n2CCC(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000037385662 569295321 /nfs/dbraw/zinc/29/53/21/569295321.db2.gz OGVHUWYZAVAEBK-UHFFFAOYSA-N 0 0 413.477 4.693 50 0 HJAARN CCOc1ccccc1NC(=O)[C@@H](Sc1nnc(C)n1C1CC1)c1ccccc1 ZINC000007617390 569296035 /nfs/dbraw/zinc/29/60/35/569296035.db2.gz WMORCEOJGWHTCL-FQEVSTJZSA-N 0 0 408.527 4.792 50 0 HJAARN Cc1cc2nc(Cc3ccccc3Cl)n(CC(=O)NCc3ccco3)c2cc1C ZINC000037397635 569296746 /nfs/dbraw/zinc/29/67/46/569296746.db2.gz SAWHLPNKMHZGBO-UHFFFAOYSA-N 0 0 407.901 4.807 50 0 HJAARN COc1cc(C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000007637589 569297889 /nfs/dbraw/zinc/29/78/89/569297889.db2.gz OJNQXWNQFCKZKX-UHFFFAOYSA-N 0 0 422.456 4.721 50 0 HJAARN COc1ccc(-c2cc(NC(=O)c3cncc(Br)c3)ccc2OC)cc1 ZINC000007639014 569298068 /nfs/dbraw/zinc/29/80/68/569298068.db2.gz MASBMPKXENJTFZ-UHFFFAOYSA-N 0 0 413.271 4.781 50 0 HJAARN COc1cc(CNC(=O)Cc2c[nH]c3ccccc23)ccc1OCc1ccccc1 ZINC000007648907 569298500 /nfs/dbraw/zinc/29/85/00/569298500.db2.gz JFSNULPDGPPOMS-UHFFFAOYSA-N 0 0 400.478 4.614 50 0 HJAARN CCOc1ccc(CN(C)c2nc(-c3cccnc3)nc3ccccc32)cc1OC ZINC000007654128 569299159 /nfs/dbraw/zinc/29/91/59/569299159.db2.gz GWMHXHLOZRRYMY-UHFFFAOYSA-N 0 0 400.482 4.736 50 0 HJAARN O=C(C1CC1)N(Cc1ccc(C(F)(F)F)cc1)C[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000037441104 569299622 /nfs/dbraw/zinc/29/96/22/569299622.db2.gz LUNLSTKUFZHGSS-LJQANCHMSA-N 0 0 420.406 4.776 50 0 HJAARN CCn1c(C)cc(C(=O)Cn2cnc3scc(-c4ccc(C)s4)c3c2=O)c1C ZINC000007671960 569299946 /nfs/dbraw/zinc/29/99/46/569299946.db2.gz IQLJBGMTPVWISB-UHFFFAOYSA-N 0 0 411.552 4.816 50 0 HJAARN CN(C(=O)c1cccc(NC(=O)C2CC2)c1)c1ccc(Br)cc1Cl ZINC000065865419 569300185 /nfs/dbraw/zinc/30/01/85/569300185.db2.gz ARZBRBRUBAWXJO-UHFFFAOYSA-N 0 0 407.695 4.728 50 0 HJAARN CCOc1c(Br)cc(C(=O)N[C@H]2CCCc3ccccc32)cc1OC ZINC000007699017 569301106 /nfs/dbraw/zinc/30/11/06/569301106.db2.gz HNUGYVRVRAKJIW-KRWDZBQOSA-N 0 0 404.304 4.664 50 0 HJAARN O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc3oc4ccccc4c3c2)cc1 ZINC000007708345 569301570 /nfs/dbraw/zinc/30/15/70/569301570.db2.gz HNORHYGNPWDFQL-UHFFFAOYSA-N 0 0 406.463 4.514 50 0 HJAARN Cc1ccc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)c1 ZINC000007718120 569302059 /nfs/dbraw/zinc/30/20/59/569302059.db2.gz CJXXLGVSLAIWHS-UHFFFAOYSA-N 0 0 416.449 4.635 50 0 HJAARN CCc1ccc(-c2nc(C(=O)O[C@@H](C)C(=O)Nc3ccc(Cl)cn3)cs2)cc1 ZINC000007722704 569302629 /nfs/dbraw/zinc/30/26/29/569302629.db2.gz BBQKRRMEALANFO-LBPRGKRZSA-N 0 0 415.902 4.605 50 0 HJAARN CCn1c(S[C@H](c2ccccc2)c2ccc(Cl)cc2)nnc1N1CCOCC1 ZINC000007723013 569302739 /nfs/dbraw/zinc/30/27/39/569302739.db2.gz SPVNAFVGRDUPBK-LJQANCHMSA-N 0 0 414.962 4.670 50 0 HJAARN CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000007724260 569302828 /nfs/dbraw/zinc/30/28/28/569302828.db2.gz DUSMAGYTRLDIEN-QGZVFWFLSA-N 0 0 420.534 4.641 50 0 HJAARN Cc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)[C@@H](C)C2=O)cc1Cl ZINC000037520900 569302920 /nfs/dbraw/zinc/30/29/20/569302920.db2.gz BVKWCUZMABMRJY-LBPRGKRZSA-N 0 0 411.716 4.833 50 0 HJAARN Cc1ccc(NC(=O)NC2CCN(c3ccccc3C(=O)N[C@@H](C)C(C)C)CC2)cc1 ZINC000037525862 569304143 /nfs/dbraw/zinc/30/41/43/569304143.db2.gz DZMKHHDFILXZMH-IBGZPJMESA-N 0 0 422.573 4.560 50 0 HJAARN COc1cc(Cn2c(C(=O)NCc3ccc(F)cc3)cc3sccc32)cc(OC)c1 ZINC000037526441 569304232 /nfs/dbraw/zinc/30/42/32/569304232.db2.gz XADPBOMSTJVFTR-UHFFFAOYSA-N 0 0 424.497 4.837 50 0 HJAARN C[C@@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000007734806 569304537 /nfs/dbraw/zinc/30/45/37/569304537.db2.gz OCBGLKNQPRTJRM-MRXNPFEDSA-N 0 0 411.461 4.559 50 0 HJAARN CCCNC(=O)c1cc2scc(Br)c2n1Cc1ccc(F)cc1F ZINC000037542314 569305092 /nfs/dbraw/zinc/30/50/92/569305092.db2.gz DJNOGRHGPXYBQU-UHFFFAOYSA-N 0 0 413.287 4.932 50 0 HJAARN COc1ccccc1Cn1c(C(=O)NCC(C)C)cc2scc(Br)c21 ZINC000037543412 569305292 /nfs/dbraw/zinc/30/52/92/569305292.db2.gz DUINXAQSHLKXJV-UHFFFAOYSA-N 0 0 421.360 4.908 50 0 HJAARN Cc1nn(-c2cccc(C)c2)c(Oc2ccc(F)cc2F)c1CCC(=O)NC1CC1 ZINC000037546993 569305692 /nfs/dbraw/zinc/30/56/92/569305692.db2.gz SGKOIPQLTPOEFC-UHFFFAOYSA-N 0 0 411.452 4.771 50 0 HJAARN Cc1ccc(C(=O)N(Cc2ccccc2)c2ccc(CC(=O)NC(C)C)cc2)cc1 ZINC000037555129 569306265 /nfs/dbraw/zinc/30/62/65/569306265.db2.gz IRUDWDJVCMQVJV-UHFFFAOYSA-N 0 0 400.522 4.909 50 0 HJAARN CCNC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccc(C)cc2)cc1 ZINC000037556292 569306353 /nfs/dbraw/zinc/30/63/53/569306353.db2.gz RSTWAMHVKUUXSR-UHFFFAOYSA-N 0 0 404.485 4.660 50 0 HJAARN COc1ccc(Br)cc1CN(C)c1nc2cc(C)nn2c2ccccc21 ZINC000007777113 569308587 /nfs/dbraw/zinc/30/85/87/569308587.db2.gz QHVXGXONVTYNSA-UHFFFAOYSA-N 0 0 411.303 4.598 50 0 HJAARN CC(C)NC(=O)Cc1cccc(N(Cc2ccc(F)cc2)C(=O)Cc2cccs2)c1 ZINC000037600942 569309020 /nfs/dbraw/zinc/30/90/20/569309020.db2.gz NHBMPBCVAOHHKT-UHFFFAOYSA-N 0 0 424.541 4.730 50 0 HJAARN Cc1ccc(Sc2ncccc2C(=O)Nc2ccnn2Cc2ccco2)cc1C ZINC000007779020 569309054 /nfs/dbraw/zinc/30/90/54/569309054.db2.gz CZHXMDYUUVVOQL-UHFFFAOYSA-N 0 0 404.495 4.940 50 0 HJAARN CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)Cc3ccc(F)cc3)n2)cc1 ZINC000007780011 569309429 /nfs/dbraw/zinc/30/94/29/569309429.db2.gz IXWUWBASQCFFGV-CQSZACIVSA-N 0 0 412.486 4.625 50 0 HJAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(-c2cccnc2)n1C1CC1 ZINC000007799230 569311216 /nfs/dbraw/zinc/31/12/16/569311216.db2.gz KZMQUICVYJXFRO-CQSZACIVSA-N 0 0 403.511 4.828 50 0 HJAARN CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000007814764 569312654 /nfs/dbraw/zinc/31/26/54/569312654.db2.gz ONYORJZGRXKDBH-LJQANCHMSA-N 0 0 402.479 4.891 50 0 HJAARN CC[C@@H](C)COC(=O)c1c(N)n([C@H](C)c2ccccc2)c2nc3ccccc3nc12 ZINC000002220861 569312962 /nfs/dbraw/zinc/31/29/62/569312962.db2.gz PGKNGIDFLQGFTC-HZPDHXFCSA-N 0 0 402.498 4.979 50 0 HJAARN CCCN1C(=O)c2ccccc2N[C@@H]1c1cc(Br)c(OC)c(OCC)c1 ZINC000007886649 569315247 /nfs/dbraw/zinc/31/52/47/569315247.db2.gz UDXZHZPNACLMGT-IBGZPJMESA-N 0 0 419.319 4.833 50 0 HJAARN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1[C@@H]1Nc2ccccc2C(=O)N1C1CC1 ZINC000007886325 569315250 /nfs/dbraw/zinc/31/52/50/569315250.db2.gz UXICMMZGQKFUMN-OAQYLSRUSA-N 0 0 410.880 4.761 50 0 HJAARN Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)c2ccco2)c(-c2ccccc2)c1=O ZINC000002228359 569317408 /nfs/dbraw/zinc/31/74/08/569317408.db2.gz FDBOBNHGPRGRNL-UHFFFAOYSA-N 0 0 405.841 4.707 50 0 HJAARN O=C(C[C@H]1Sc2ccccc2NC1=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000007898949 569318924 /nfs/dbraw/zinc/31/89/24/569318924.db2.gz XNHQSOBBNFXROD-LJQANCHMSA-N 0 0 412.898 4.719 50 0 HJAARN C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000007905132 569320545 /nfs/dbraw/zinc/32/05/45/569320545.db2.gz KDCYXZTWPQGBSM-CYBMUJFWSA-N 0 0 412.559 4.839 50 0 HJAARN O=C(CSc1nnc2ccc3ccccc3n21)Nc1ccccc1C(F)(F)F ZINC000001924272 569322048 /nfs/dbraw/zinc/32/20/48/569322048.db2.gz XQHKAKICRIMJCR-UHFFFAOYSA-N 0 0 402.401 4.632 50 0 HJAARN CCCCCCNC(=O)c1c(N)n(-c2ccccc2F)c2nc3ccccc3nc21 ZINC000002237532 569322148 /nfs/dbraw/zinc/32/21/48/569322148.db2.gz DVLWMWLGJUPOTD-UHFFFAOYSA-N 0 0 405.477 4.605 50 0 HJAARN COc1ccc(C(=O)c2cn(Cc3ccccc3OC)c3ccc(C)cc3c2=O)cc1 ZINC000002692194 569322295 /nfs/dbraw/zinc/32/22/95/569322295.db2.gz FQUJMABKRBPUHW-UHFFFAOYSA-N 0 0 413.473 4.606 50 0 HJAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2cccc(OC)c2)cc1 ZINC000002244427 569323854 /nfs/dbraw/zinc/32/38/54/569323854.db2.gz WVBGERWEGXWCKV-UHFFFAOYSA-N 0 0 416.477 4.550 50 0 HJAARN CCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)c1 ZINC000002245932 569324148 /nfs/dbraw/zinc/32/41/48/569324148.db2.gz OLNKDPHNMKQBQU-JOCHJYFZSA-N 0 0 412.445 4.727 50 0 HJAARN Fc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2F)cc1 ZINC000002247187 569324369 /nfs/dbraw/zinc/32/43/69/569324369.db2.gz SBXYGTTZCWHMPV-PKTZIBPZSA-N 0 0 414.415 4.769 50 0 HJAARN COc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1 ZINC000002249125 569324421 /nfs/dbraw/zinc/32/44/21/569324421.db2.gz CPYHSNLCHOWSQV-IBGZPJMESA-N 0 0 418.474 4.625 50 0 HJAARN Cc1ccc(-n2c(N)c(C(=O)OCCC(C)C)c3nc4ccccc4nc32)cc1C ZINC000002250049 569324552 /nfs/dbraw/zinc/32/45/52/569324552.db2.gz PNTVZGHBFMFNLK-UHFFFAOYSA-N 0 0 402.498 4.976 50 0 HJAARN COc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(C)cc2)cc1 ZINC000002250173 569324665 /nfs/dbraw/zinc/32/46/65/569324665.db2.gz IRJGTLBCRVKZEP-LOSJGSFVSA-N 0 0 422.488 4.808 50 0 HJAARN Cc1ccc(-n2c(N)c(C(=O)OCC(C)C)c3nc4ccccc4nc32)cc1Cl ZINC000002253465 569326093 /nfs/dbraw/zinc/32/60/93/569326093.db2.gz IMPHHVSTCXWROT-UHFFFAOYSA-N 0 0 408.889 4.931 50 0 HJAARN CCCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(C)cc1)CCCC3 ZINC000002270761 569326559 /nfs/dbraw/zinc/32/65/59/569326559.db2.gz HJRCDRVDOHTPKF-UHFFFAOYSA-N 0 0 410.568 4.784 50 0 HJAARN Cc1ccc(S(=O)(=O)N2[C@H](c3ccccc3Cl)[C@H]2C(=O)c2ccccc2)cc1 ZINC000036123128 569358005 /nfs/dbraw/zinc/35/80/05/569358005.db2.gz FMGFBRMSSVEZEI-JBAPTLGWSA-N 0 0 411.910 4.646 50 0 HJAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000257347576 569363964 /nfs/dbraw/zinc/36/39/64/569363964.db2.gz LOJPGRHPJBGMMF-OOCSDFKASA-N 0 0 404.591 4.775 50 0 HJAARN O=C(/C=C/c1ccccc1Cl)Nn1c(=O)c2ccccc2nc1C1CCCCC1 ZINC000027528410 569364228 /nfs/dbraw/zinc/36/42/28/569364228.db2.gz MLUJLAFTZWZCLY-CCEZHUSRSA-N 0 0 407.901 4.881 50 0 HJAARN Cc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)CC[C@H](C(C)(C)C)C3 ZINC000002286051 569364474 /nfs/dbraw/zinc/36/44/74/569364474.db2.gz LHJYJBALTBQIAY-INIZCTEOSA-N 0 0 406.555 4.613 50 0 HJAARN CCCc1ccc(C(=O)CCC(=O)Nc2ccccc2S[C@H]2CCN(C)C2=O)cc1 ZINC000253425997 569368178 /nfs/dbraw/zinc/36/81/78/569368178.db2.gz KNQOFNNFXXKILY-QFIPXVFZSA-N 0 0 424.566 4.564 50 0 HJAARN Nc1c(C(=O)NCCC2=CCCCC2)c2nc3ccccc3nc2n1-c1ccccc1 ZINC000002295708 569369316 /nfs/dbraw/zinc/36/93/16/569369316.db2.gz RZJQOPTWIZMKHR-UHFFFAOYSA-N 0 0 411.509 4.776 50 0 HJAARN Nc1c(C(=O)NC2CCCCC2)c2nc3ccccc3nc2n1-c1cccc(Cl)c1 ZINC000002298340 569369562 /nfs/dbraw/zinc/36/95/62/569369562.db2.gz UXTVPXNSTRWQLQ-UHFFFAOYSA-N 0 0 419.916 4.872 50 0 HJAARN CCOc1cc(CN2CCC[C@@H]2c2ccc(COC)o2)cc(Br)c1O ZINC000253432447 569369863 /nfs/dbraw/zinc/36/98/63/569369863.db2.gz ZPBLGDFDVPZJGI-MRXNPFEDSA-N 0 0 410.308 4.630 50 0 HJAARN C[C@@H](NC(=O)CCCCCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000002309624 569372830 /nfs/dbraw/zinc/37/28/30/569372830.db2.gz DVINHIDZHWXMON-LJQANCHMSA-N 0 0 406.526 4.891 50 0 HJAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2ccccc2C)cc1 ZINC000002341027 569376380 /nfs/dbraw/zinc/37/63/80/569376380.db2.gz OLMYRJUHJZCSIL-UHFFFAOYSA-N 0 0 400.478 4.850 50 0 HJAARN COc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)c1 ZINC000002344473 569376633 /nfs/dbraw/zinc/37/66/33/569376633.db2.gz DCSHAUIEBZXYGO-QHCPKHFHSA-N 0 0 411.457 4.590 50 0 HJAARN CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@](C)(CC)OC3 ZINC000002346748 569379309 /nfs/dbraw/zinc/37/93/09/569379309.db2.gz USLDDZLDXSMSOT-NRFANRHFSA-N 0 0 400.569 4.860 50 0 HJAARN Cc1ccc(Cl)cc1N1CCN(CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000055060417 569380825 /nfs/dbraw/zinc/38/08/25/569380825.db2.gz NFQCPYNXBRSDHA-UHFFFAOYSA-N 0 0 412.748 4.716 50 0 HJAARN C[C@H](CCC(=O)NCCO)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253531523 569382709 /nfs/dbraw/zinc/38/27/09/569382709.db2.gz HENFUZBSUMHZKR-GBKNOPBFSA-N 0 0 419.650 4.531 50 0 HJAARN CCC(CC)COC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc12 ZINC000002356355 569385349 /nfs/dbraw/zinc/38/53/49/569385349.db2.gz CVZCBAUFTKFGDE-UHFFFAOYSA-N 0 0 420.488 4.947 50 0 HJAARN O=S(=O)(c1cccc(-c2csc(-c3ccc(Cl)cc3)n2)c1)N1CCCC1 ZINC000002361479 569387153 /nfs/dbraw/zinc/38/71/53/569387153.db2.gz DUWDYTOSQOOKGP-UHFFFAOYSA-N 0 0 404.944 4.915 50 0 HJAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccc(Cl)cc2)cc1 ZINC000002366086 569388129 /nfs/dbraw/zinc/38/81/29/569388129.db2.gz SMTFLSFJKNZZPY-UHFFFAOYSA-N 0 0 406.869 4.805 50 0 HJAARN Cc1ccnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccccc2)c1 ZINC000002368035 569388139 /nfs/dbraw/zinc/38/81/39/569388139.db2.gz YCWFNJWDFHYSSW-FQEVSTJZSA-N 0 0 402.837 4.900 50 0 HJAARN O=C1CS[C@]2(c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)N1c1ccccc1 ZINC000008856979 569390609 /nfs/dbraw/zinc/39/06/09/569390609.db2.gz BWMSCDACPNHXBQ-QHCPKHFHSA-N 0 0 420.921 4.820 50 0 HJAARN Cc1nn(C)c(Cl)c1C(=O)N[C@@H](C(=O)Nc1ccc(C(C)C)cc1)c1ccccc1 ZINC000008873975 569390711 /nfs/dbraw/zinc/39/07/11/569390711.db2.gz MWOIBUVRKWVBJY-HXUWFJFHSA-N 0 0 424.932 4.615 50 0 HJAARN CCc1ccc(-n2c(N)c(C(=O)OC[C@H](C)CC)c3nc4ccccc4nc32)cc1 ZINC000002395883 569394385 /nfs/dbraw/zinc/39/43/85/569394385.db2.gz KHACGQINSLUFIM-OAHLLOKOSA-N 0 0 402.498 4.921 50 0 HJAARN COc1ccc([C@H](O)[P@@](=O)(OCc2ccccc2)c2ccc(N(C)C)cc2)cc1 ZINC000002397669 569394637 /nfs/dbraw/zinc/39/46/37/569394637.db2.gz ZBCHVPFBTSZELS-BTYSJIOQSA-N 0 0 411.438 4.573 50 0 HJAARN COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc1 ZINC000002399779 569394758 /nfs/dbraw/zinc/39/47/58/569394758.db2.gz PZNBFXGDZQULLK-FQEVSTJZSA-N 0 0 418.836 4.600 50 0 HJAARN Cc1cccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccccc2F)n1 ZINC000002401892 569395535 /nfs/dbraw/zinc/39/55/35/569395535.db2.gz MLYFBLKWTKSKNE-HXUWFJFHSA-N 0 0 404.372 4.524 50 0 HJAARN COc1cccc(Oc2c(=O)c3ccc(OC(=O)N(C)C)cc3oc2C(F)(F)F)c1 ZINC000002405750 569396058 /nfs/dbraw/zinc/39/60/58/569396058.db2.gz DHKPOWLCTFZLKH-UHFFFAOYSA-N 0 0 423.343 4.673 50 0 biogenic HJAARN COc1ccc(OCc2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)cc1 ZINC000002408314 569396570 /nfs/dbraw/zinc/39/65/70/569396570.db2.gz XXZKWCNFGJHINA-UHFFFAOYSA-N 0 0 412.493 4.747 50 0 HJAARN CCCCCOC(=O)c1c(N)n(-c2ccccc2OC)c2nc3ccccc3nc21 ZINC000002414390 569397178 /nfs/dbraw/zinc/39/71/78/569397178.db2.gz HBZIOKRHDKCLJT-UHFFFAOYSA-N 0 0 404.470 4.512 50 0 HJAARN COc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccco2)c1 ZINC000002416915 569397524 /nfs/dbraw/zinc/39/75/24/569397524.db2.gz PPXPAVHLJANHNA-JOCHJYFZSA-N 0 0 415.445 4.757 50 0 HJAARN CCCCCn1c(N)c(C(=O)NCCCc2ccccc2)c2nc3ccccc3nc21 ZINC000002420022 569397687 /nfs/dbraw/zinc/39/76/87/569397687.db2.gz UOONWDJGQYACFG-UHFFFAOYSA-N 0 0 415.541 4.720 50 0 HJAARN CCCCCOC(=O)c1c(N)n(Cc2ccccc2OC)c2nc3ccccc3nc21 ZINC000002424040 569398351 /nfs/dbraw/zinc/39/83/51/569398351.db2.gz ZJPGMVCHSYSIPP-UHFFFAOYSA-N 0 0 418.497 4.571 50 0 HJAARN Cc1ccc(-n2ncc3c4nnc(Cc5cccc6ccccc65)n4cnc32)c(C)c1 ZINC000002428025 569398755 /nfs/dbraw/zinc/39/87/55/569398755.db2.gz DACZZPGCDOPKNO-UHFFFAOYSA-N 0 0 404.477 4.824 50 0 HJAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(Cl)cc1)N(C[C@@H]1CCCO1)C3=O ZINC000002440534 569400623 /nfs/dbraw/zinc/40/06/23/569400623.db2.gz GHTQSABTGXKPGM-LAUBAEHRSA-N 0 0 423.896 4.787 50 0 HJAARN CSc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000002441626 569400697 /nfs/dbraw/zinc/40/06/97/569400697.db2.gz FCVXSZSWVZBBFO-HRAATJIYSA-N 0 0 421.518 4.548 50 0 HJAARN CSc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000002441620 569400798 /nfs/dbraw/zinc/40/07/98/569400798.db2.gz FCVXSZSWVZBBFO-IERDGZPVSA-N 0 0 421.518 4.548 50 0 HJAARN Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(F)cc2)c(NCc2ccco2)o1 ZINC000012419138 569401098 /nfs/dbraw/zinc/40/10/98/569401098.db2.gz KSIODLYLIPZJHV-UHFFFAOYSA-N 0 0 412.442 4.827 50 0 HJAARN Cn1ccnc1SC[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012653940 569402291 /nfs/dbraw/zinc/40/22/91/569402291.db2.gz RNFUORZCJMHGLE-BLDDEZIESA-N 0 0 416.631 4.567 50 0 biogenic HJAARN C[C@@H]1Oc2ccc(NC(=O)/C=C/c3cc(C(F)(F)F)ccc3Cl)cc2NC1=O ZINC000012854917 569404113 /nfs/dbraw/zinc/40/41/13/569404113.db2.gz NTONTSMWWZRLQL-BPQDVTRRSA-N 0 0 410.779 4.730 50 0 HJAARN CCN(C(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccccc1)C1=CCCC1 ZINC000012914745 569404891 /nfs/dbraw/zinc/40/48/91/569404891.db2.gz OTHMBMUDWIIXQC-UHFFFAOYSA-N 0 0 422.554 4.903 50 0 HJAARN CC(C)n1c(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)nc2ccccc2c1=O ZINC000012983491 569405976 /nfs/dbraw/zinc/40/59/76/569405976.db2.gz JFFRYWOMVWJQAP-OAQYLSRUSA-N 0 0 421.566 4.823 50 0 HJAARN Clc1ccc2c(c1)[C@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@H](c1ccccn1)O2 ZINC000013036204 569407514 /nfs/dbraw/zinc/40/75/14/569407514.db2.gz YYXLTFWWXAOFCJ-GCJKJVERSA-N 0 0 405.841 4.706 50 0 HJAARN CN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000013038329 569407702 /nfs/dbraw/zinc/40/77/02/569407702.db2.gz YDIUZWCYERJLRU-UHFFFAOYSA-N 0 0 413.949 4.576 50 0 HJAARN O=C(Nc1ccc(F)cc1F)c1cc2n(n1)[C@H](C(F)(F)F)[C@@H]1CCCC[C@@H]1N2 ZINC000013124507 569409683 /nfs/dbraw/zinc/40/96/83/569409683.db2.gz XRRSYUJZJFMCFN-XAGWURHQSA-N 0 0 400.351 4.501 50 0 HJAARN CCC(CC)C(=O)N1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1 ZINC000002456544 569410612 /nfs/dbraw/zinc/41/06/12/569410612.db2.gz QSRFCTOBJCJOBB-HXUWFJFHSA-N 0 0 415.331 4.755 50 0 HJAARN O=C(CCCc1ccccc1)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccccc1 ZINC000002456642 569410631 /nfs/dbraw/zinc/41/06/31/569410631.db2.gz RVEYDERMRYECAZ-RUZDIDTESA-N 0 0 402.469 4.719 50 0 HJAARN O=C(Nc1cccc(F)c1)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000013355106 569411366 /nfs/dbraw/zinc/41/13/66/569411366.db2.gz FWVYWDGPFAFFOI-UHFFFAOYSA-N 0 0 424.497 4.530 50 0 HJAARN COc1ccccc1CNC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013368993 569412562 /nfs/dbraw/zinc/41/25/62/569412562.db2.gz IJKSQHNLNZWARY-UHFFFAOYSA-N 0 0 405.885 4.682 50 0 HJAARN Cc1ccc(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000078623914 569414501 /nfs/dbraw/zinc/41/45/01/569414501.db2.gz QWHXUZSTRUMLCJ-AOYPEHQESA-N 0 0 412.533 4.791 50 0 HJAARN C[C@H](NC(=O)C(C)(C)c1ccc2c(c1)OCCO2)c1nc(-c2ccccc2)cs1 ZINC000078655407 569414700 /nfs/dbraw/zinc/41/47/00/569414700.db2.gz XEMNUBJSBMALSC-HNNXBMFYSA-N 0 0 408.523 4.736 50 0 HJAARN COc1ccc([C@@H]2CCN(C(=O)c3cc4cc(Br)sc4[nH]3)C2)cc1 ZINC000328592684 569415448 /nfs/dbraw/zinc/41/54/48/569415448.db2.gz KWWRAUPVMLQNHJ-GFCCVEGCSA-N 0 0 405.317 4.630 50 0 HJAARN COc1ccccc1[C@H]1CC(c2ccc(C)cc2)=NN1S(=O)(=O)c1ccccc1C ZINC000328596870 569416218 /nfs/dbraw/zinc/41/62/18/569416218.db2.gz AZQJNVNPKYLKDG-JOCHJYFZSA-N 0 0 420.534 4.852 50 0 HJAARN COCc1c2ccccc2oc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000007960656 569419813 /nfs/dbraw/zinc/41/98/13/569419813.db2.gz IXTBYKWZGNQCQO-UHFFFAOYSA-N 0 0 416.481 4.816 50 0 HJAARN Cc1ccc(OCCCCNC(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)cc1 ZINC000078875850 569421091 /nfs/dbraw/zinc/42/10/91/569421091.db2.gz YSEYQCPEYRMWOU-UHFFFAOYSA-N 0 0 413.905 4.606 50 0 HJAARN Cc1nc(NC2CC2)sc1C(=O)NCc1cccc(COCc2ccccc2)c1 ZINC000078995524 569423167 /nfs/dbraw/zinc/42/31/67/569423167.db2.gz SZLZHNJVUKWURO-UHFFFAOYSA-N 0 0 407.539 4.673 50 0 HJAARN Cc1nc(CNS(=O)(=O)c2ccc(F)cc2Cl)oc1-c1ccc(Cl)cc1 ZINC000079092353 569427092 /nfs/dbraw/zinc/42/70/92/569427092.db2.gz LDJRYRQVZMERBI-UHFFFAOYSA-N 0 0 415.273 4.574 50 0 HJAARN C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1c1ccc2nnc(C(F)(F)F)n2n1 ZINC000079096255 569427211 /nfs/dbraw/zinc/42/72/11/569427211.db2.gz XCTGHLKNOGTIIH-MRVPVSSYSA-N 0 0 402.207 4.574 50 0 HJAARN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2ccccc2)cc1 ZINC000079188383 569429081 /nfs/dbraw/zinc/42/90/81/569429081.db2.gz ZXRCVBICVMZDDN-QGZVFWFLSA-N 0 0 414.413 4.615 50 0 biogenic HJAARN Cc1sc(NC(=O)c2ccccc2Cl)nc1-c1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000019796603 569430223 /nfs/dbraw/zinc/43/02/23/569430223.db2.gz MDRWDZQRBKYSEA-JTQLQIEISA-N 0 0 413.886 4.744 50 0 HJAARN Cc1sc(NC(=O)c2ccccc2Cl)nc1-c1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000019796604 569430246 /nfs/dbraw/zinc/43/02/46/569430246.db2.gz MDRWDZQRBKYSEA-SNVBAGLBSA-N 0 0 413.886 4.744 50 0 HJAARN COc1cccc(C(=O)N2CCCC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)c1OC ZINC000079352330 569430466 /nfs/dbraw/zinc/43/04/66/569430466.db2.gz SCNVSWGBMPFFRN-IBGZPJMESA-N 0 0 409.461 4.600 50 0 HJAARN COC(=O)[C@@](NC(=O)CCC1CCCCC1)(c1c[nH]c2ccccc21)C(F)(F)F ZINC000079480080 569431736 /nfs/dbraw/zinc/43/17/36/569431736.db2.gz BOJBRUKDZLEJQM-FQEVSTJZSA-N 0 0 410.436 4.575 50 0 HJAARN CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000002463417 569433118 /nfs/dbraw/zinc/43/31/18/569433118.db2.gz MRKDQAIPKLSDRN-AEFFLSMTSA-N 0 0 400.544 4.586 50 0 HJAARN FC(F)(F)c1cnc(SCCn2nnnc2-c2ccccc2Cl)c(Cl)c1 ZINC000263639655 571043521 /nfs/dbraw/zinc/04/35/21/571043521.db2.gz CCVYOEPPBMYGTR-UHFFFAOYSA-N 0 0 420.247 4.853 50 0 HJAARN C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 ZINC000013037853 571046124 /nfs/dbraw/zinc/04/61/24/571046124.db2.gz ALLDKEYQIQYRDA-VUJIGMQQSA-N 0 0 401.503 4.761 50 0 HJAARN Cc1nc(-c2ccc(F)cc2)sc1-c1cc(C(=O)N2CCc3ccccc3C2)[nH]n1 ZINC000038651925 571052112 /nfs/dbraw/zinc/05/21/12/571052112.db2.gz MBCQQKKZTHSQSG-UHFFFAOYSA-N 0 0 418.497 4.846 50 0 HJAARN COc1ccc(CCNC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000038667839 571054750 /nfs/dbraw/zinc/05/47/50/571054750.db2.gz BLDDOYUZNMNBTD-UHFFFAOYSA-N 0 0 415.946 4.557 50 0 HJAARN COc1cc2c(cc1NC(=O)CCCn1c3ccccc3oc1=O)oc1ccccc12 ZINC000008487191 571055388 /nfs/dbraw/zinc/05/53/88/571055388.db2.gz QUQYMHWOBHCCME-UHFFFAOYSA-N 0 0 416.433 4.921 50 0 HJAARN Cc1cccc(-n2c(=O)c3sccc3n(Cc3cccc(C(F)(F)F)c3)c2=O)c1 ZINC000067258168 571057637 /nfs/dbraw/zinc/05/76/37/571057637.db2.gz JTYNWXMCLPIYHH-UHFFFAOYSA-N 0 0 416.424 4.589 50 0 HJAARN COc1ccc(CSc2nc3ccccc3c(=O)n2Cc2cccc(OC)c2)cc1 ZINC000067258769 571057948 /nfs/dbraw/zinc/05/79/48/571057948.db2.gz SIBOMKWWCIFDNK-UHFFFAOYSA-N 0 0 418.518 4.754 50 0 HJAARN COc1ccc(CSc2nc3ccsc3c(=O)n2Cc2ccccc2F)cc1 ZINC000067259897 571058842 /nfs/dbraw/zinc/05/88/42/571058842.db2.gz DVCZGPOSCWJBQK-UHFFFAOYSA-N 0 0 412.511 4.946 50 0 HJAARN COc1cccc(CSc2nnc3c4cc(-c5ccc(C)c(C)c5)nn4ccn23)c1 ZINC000067260624 571059553 /nfs/dbraw/zinc/05/95/53/571059553.db2.gz BTYNDEDQVWKESD-UHFFFAOYSA-N 0 0 415.522 4.962 50 0 HJAARN Fc1ccc(-c2nnn3c2nc(NCc2ccc(F)cc2F)c2ccccc23)cc1 ZINC000067261396 571060152 /nfs/dbraw/zinc/06/01/52/571060152.db2.gz CJLOEXRDVGSPON-UHFFFAOYSA-N 0 0 405.383 4.974 50 0 HJAARN Cn1c2ccccc2nc1C1CCC(CNC(=O)Cn2ccc3ccccc32)CC1 ZINC000038671739 571060759 /nfs/dbraw/zinc/06/07/59/571060759.db2.gz RPGASXFCEDMJJD-UHFFFAOYSA-N 0 0 400.526 4.618 50 0 HJAARN CCOc1ccccc1NC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2 ZINC000038678181 571060991 /nfs/dbraw/zinc/06/09/91/571060991.db2.gz GBGOECQDGKSMQZ-UHFFFAOYSA-N 0 0 405.454 4.521 50 0 HJAARN Cc1ccc(-c2cc3c(N4CCN(c5ccc(Cl)cc5)CC4)nccn3n2)c(C)c1 ZINC000067285134 571064116 /nfs/dbraw/zinc/06/41/16/571064116.db2.gz REYDAMUMAYHSDL-UHFFFAOYSA-N 0 0 417.944 4.993 50 0 HJAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4cccc(F)c4)nccn3n2)cc1 ZINC000067290488 571067472 /nfs/dbraw/zinc/06/74/72/571067472.db2.gz BQNWSOGGHPBNDN-UHFFFAOYSA-N 0 0 422.485 4.665 50 0 HJAARN O=C(NC[C@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1cc(F)cc(F)c1 ZINC000067292944 571068742 /nfs/dbraw/zinc/06/87/42/571068742.db2.gz JUYMONQKWJBBRC-PUOGRZEHSA-N 0 0 418.827 4.506 50 0 HJAARN Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cccc(Cl)c2)nc1 ZINC000067294336 571069717 /nfs/dbraw/zinc/06/97/17/571069717.db2.gz BOJJAVHLICICPX-LVWGJNHUSA-N 0 0 405.841 4.980 50 0 HJAARN COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(F)cc3C)oc21 ZINC000067295944 571070797 /nfs/dbraw/zinc/07/07/97/571070797.db2.gz RUJRJRRUZFVVNZ-GFMRDNFCSA-N 0 0 409.442 4.830 50 0 HJAARN COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cc(F)ccc3F)oc21 ZINC000067295891 571070808 /nfs/dbraw/zinc/07/08/08/571070808.db2.gz NTVUWHHIHKYDHO-CLCOLTQESA-N 0 0 413.405 4.661 50 0 HJAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cccc(F)c3)oc21 ZINC000067295691 571070814 /nfs/dbraw/zinc/07/08/14/571070814.db2.gz FZULPAUKDMUUJM-RWEWTDSWSA-N 0 0 403.413 4.769 50 0 HJAARN Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cc(F)ccc2F)n1 ZINC000067297914 571072158 /nfs/dbraw/zinc/07/21/58/571072158.db2.gz JGVRWELMWCNPBO-ROMGYVFFSA-N 0 0 407.376 4.605 50 0 HJAARN CSc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)cc1 ZINC000067299340 571073317 /nfs/dbraw/zinc/07/33/17/571073317.db2.gz XLHQKPBASLEYTC-GYHWCHFESA-N 0 0 406.463 4.616 50 0 HJAARN O=C(NCc1ccco1)c1cc2ccc(O)cc2o/c1=N\c1cccc(Cl)c1F ZINC000067299276 571073384 /nfs/dbraw/zinc/07/33/84/571073384.db2.gz WUYFBMIYKRVBFM-DAFNUICNSA-N 0 0 412.804 4.686 50 0 HJAARN O=C(CSc1nnc(NCc2ccc(F)cc2)s1)N(C1=CCCCC1)C1CC1 ZINC000008541701 571077245 /nfs/dbraw/zinc/07/72/45/571077245.db2.gz TYZOYRYLOTTXFK-UHFFFAOYSA-N 0 0 418.563 4.830 50 0 HJAARN COC(=O)c1cccc(NC(=O)/C=C/c2cc3cc(Br)ccc3o2)c1 ZINC000067339365 571080579 /nfs/dbraw/zinc/08/05/79/571080579.db2.gz HRNQXNYXISFKNB-SOFGYWHQSA-N 0 0 400.228 4.634 50 0 HJAARN CCOc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)o2)cc1 ZINC000008587124 571083539 /nfs/dbraw/zinc/08/35/39/571083539.db2.gz CPZBYAVSWBZAFH-UHFFFAOYSA-N 0 0 423.416 4.885 50 0 aggregator HJAARN COc1ccc(-n2cc(C(=O)NCc3ccccc3Cl)c3ccccc3c2=O)cc1 ZINC000008588632 571084560 /nfs/dbraw/zinc/08/45/60/571084560.db2.gz LFSAMUSJASEMLZ-UHFFFAOYSA-N 0 0 418.880 4.583 50 0 HJAARN O=c1c2sc3ccccc3c2n(Cc2cccc(Cl)c2)c(=O)n1Cc1ccco1 ZINC000008592575 571086790 /nfs/dbraw/zinc/08/67/90/571086790.db2.gz FIMIIKGVMWACAI-UHFFFAOYSA-N 0 0 422.893 4.721 50 0 aggregator HJAARN CCc1ccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1 ZINC000008606618 571092159 /nfs/dbraw/zinc/09/21/59/571092159.db2.gz HSWXXPDCRALNGK-RUZDIDTESA-N 0 0 424.504 4.794 50 0 HJAARN Cc1nn(-c2ccccc2)c(Cl)c1CSc1nc(C)c(C)c(C)c1C(N)=O ZINC000008704934 571103167 /nfs/dbraw/zinc/10/31/67/571103167.db2.gz RENYYFLORZLSFN-UHFFFAOYSA-N 0 0 400.935 4.546 50 0 HJAARN Cc1ccccc1-n1c(SC[C@@H]2COc3ccccc3O2)nnc1-c1cccnc1 ZINC000008724343 571107636 /nfs/dbraw/zinc/10/76/36/571107636.db2.gz AHGPQXYVNGJLSK-SFHVURJKSA-N 0 0 416.506 4.570 50 0 HJAARN O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccccc1N1CCCC1 ZINC000008727252 571108706 /nfs/dbraw/zinc/10/87/06/571108706.db2.gz MSMWTZVBRLUKNA-QHCPKHFHSA-N 0 0 413.521 4.787 50 0 HJAARN CCN(C(=O)CN(C)CC(=O)Nc1c(C)cc(C)cc1C)c1cccc2ccccc21 ZINC000008729155 571108996 /nfs/dbraw/zinc/10/89/96/571108996.db2.gz FIUVABAPVPMVMQ-UHFFFAOYSA-N 0 0 417.553 4.688 50 0 HJAARN CC(=O)N1N=C(c2cccc(O)c2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000008734902 571109634 /nfs/dbraw/zinc/10/96/34/571109634.db2.gz HBSXBITXMZFPGO-VWLOTQADSA-N 0 0 422.488 4.943 50 0 HJAARN O=C(CCc1nc(-c2ccsc2)no1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008736095 571109921 /nfs/dbraw/zinc/10/99/21/571109921.db2.gz YOKNMGJVJBMTDD-AWEZNQCLSA-N 0 0 424.551 4.747 50 0 HJAARN CCc1ccc(-c2nc(SCC(=O)N(CC)Cc3ccc(Cl)s3)n[nH]2)cc1 ZINC000008754410 571113029 /nfs/dbraw/zinc/11/30/29/571113029.db2.gz YVIMTVWHIPOZAJ-UHFFFAOYSA-N 0 0 420.991 4.890 50 0 HJAARN Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N[C@@H](C)CCc3ccco3)c(C)c21 ZINC000008764529 571115001 /nfs/dbraw/zinc/11/50/01/571115001.db2.gz QZYYRKCQPLZJFQ-HNNXBMFYSA-N 0 0 407.466 4.737 50 0 biogenic HJAARN CCOc1cc(CN(C(=O)COc2cc(C)cc(C)c2)C2CC2)ccc1OC(F)F ZINC000008771982 571117227 /nfs/dbraw/zinc/11/72/27/571117227.db2.gz OWYWQWSDCRSKPD-UHFFFAOYSA-N 0 0 419.468 4.874 50 0 HJAARN Cc1nc(NC(=O)Nc2ccc(C)cc2)sc1C(=O)NCc1ccccc1Cl ZINC000008771389 571117270 /nfs/dbraw/zinc/11/72/70/571117270.db2.gz FQGMCHDIVCLEFY-UHFFFAOYSA-N 0 0 414.918 4.987 50 0 HJAARN O=C(CCc1nc(-c2cccs2)no1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008774328 571117673 /nfs/dbraw/zinc/11/76/73/571117673.db2.gz MVZFZRAYSPAVET-CQSZACIVSA-N 0 0 424.551 4.747 50 0 HJAARN COc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)c1 ZINC000008827469 571122220 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COc1ccc(C(NC(=O)c2oc3c(c2C)C(=O)CCC3)c2ccc(OC)cc2)cc1 ZINC000040134005 571186778 /nfs/dbraw/zinc/18/67/78/571186778.db2.gz CRBLLKUFOSXQKP-UHFFFAOYSA-N 0 0 419.477 4.644 50 0 HJAARN CSc1nccn1-c1cccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1 ZINC000040135756 571188780 /nfs/dbraw/zinc/18/87/80/571188780.db2.gz YQSKDDJLTPVJPM-UHFFFAOYSA-N 0 0 403.511 4.649 50 0 HJAARN CCCCc1ccc2nc(NC(=O)Cc3csc(NC(=O)C(C)C)n3)sc2c1 ZINC000040140404 571191491 /nfs/dbraw/zinc/19/14/91/571191491.db2.gz NMPIFTHYVOHJAG-UHFFFAOYSA-N 0 0 416.572 4.871 50 0 HJAARN CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000040142996 571193625 /nfs/dbraw/zinc/19/36/25/571193625.db2.gz DRZLLRUYPNWSGR-UHFFFAOYSA-N 0 0 417.234 4.710 50 0 HJAARN Cc1nn(C(C)(C)C)c(C)c1C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000040145185 571195321 /nfs/dbraw/zinc/19/53/21/571195321.db2.gz NHLSHCMYOIKCBV-UHFFFAOYSA-N 0 0 423.586 4.522 50 0 HJAARN O=C(Nc1ccc(N2C(=O)CCCC2=O)cc1)c1ccccc1SC(F)(F)F ZINC000040146138 571195917 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Cc1ccnc(NC(=O)COc2ccc3c(c2)oc(C)c(Oc2ccccc2)c3=O)c1 ZINC000008993208 571207942 /nfs/dbraw/zinc/20/79/42/571207942.db2.gz JJBHASBDFMHANN-UHFFFAOYSA-N 0 0 416.433 4.615 50 0 HJAARN Fc1ccc(-c2cc(-c3nc4c5c6c(sc5ncn4n3)CCCCC6)n[nH]2)cc1 ZINC000008996976 571209095 /nfs/dbraw/zinc/20/90/95/571209095.db2.gz YSLZTNCVGJLWIC-UHFFFAOYSA-N 0 0 404.474 4.804 50 0 HJAARN Cc1cc(C(=O)N(Cc2cccnc2)c2nc3c(cccc3C(C)C)s2)nn1C ZINC000009002439 571210050 /nfs/dbraw/zinc/21/00/50/571210050.db2.gz JOQQHKHXMVCGSU-UHFFFAOYSA-N 0 0 405.527 4.704 50 0 HJAARN Nn1c(SCc2cccc3ccccc32)nnc1-c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000009015489 571211422 /nfs/dbraw/zinc/21/14/22/571211422.db2.gz DKNCFYZQXLITPU-UHFFFAOYSA-N 0 0 416.485 4.634 50 0 HJAARN O=C(c1ccccc1)c1ccccc1C(=O)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 ZINC000244986069 571211630 /nfs/dbraw/zinc/21/16/30/571211630.db2.gz JDZRNTDZUOHBAP-OAQYLSRUSA-N 0 0 422.484 4.759 50 0 HJAARN Cc1sc2nc(-c3cccs3)nc(N3CCC[C@H](C4OCCO4)C3)c2c1C ZINC000069221995 571214952 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COc1ccccc1[C@H]1[C@H](C(=O)Nc2ccncc2)CCC(=O)N1c1ccc(C)cc1 ZINC000012775983 132367061 /nfs/dbraw/zinc/36/70/61/132367061.db2.gz BBRCWTVFWKRRJT-QPPBQGQZSA-N 0 0 415.493 4.522 50 0 HJAARN O=C(NCc1ccc(Cl)cc1)c1ccc(N2CCSc3ncccc32)s1 ZINC000020995870 132471861 /nfs/dbraw/zinc/47/18/61/132471861.db2.gz IUUVRABPDGRHMC-UHFFFAOYSA-N 0 0 401.944 4.970 50 0 HJAARN O=C(Nc1ccccc1F)c1ccc(NC(=O)N2CCSc3ncccc32)cc1 ZINC000021531179 132472547 /nfs/dbraw/zinc/47/25/47/132472547.db2.gz RADZVTBYAGLNDS-UHFFFAOYSA-N 0 0 408.458 4.617 50 0 HJAARN Cc1ccc(C)c(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCCC(C)C)c1 ZINC000021858520 132473683 /nfs/dbraw/zinc/47/36/83/132473683.db2.gz LTJSMEMYGZTQMD-SANMLTNESA-N 0 0 417.553 4.840 50 0 HJAARN COc1ccc(NC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 ZINC000022504866 132474775 /nfs/dbraw/zinc/47/47/75/132474775.db2.gz VBASBXLNMIABSF-UHFFFAOYSA-N 0 0 401.466 4.932 50 0 HJAARN Cc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000033173399 132778455 /nfs/dbraw/zinc/77/84/55/132778455.db2.gz VROWUQYLELXCBK-UHFFFAOYSA-N 0 0 422.428 4.810 50 0 HJAARN O=C(Nc1ccccc1N1CCCN(Cc2ccccc2)C1=O)c1ccccc1F ZINC000034734910 132797473 /nfs/dbraw/zinc/79/74/73/132797473.db2.gz NJOCCSKNBRLBRG-UHFFFAOYSA-N 0 0 403.457 4.910 50 0 HJAARN CC(C)c1ccc(CNC(=O)[C@@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)cc1 ZINC000035397972 132801450 /nfs/dbraw/zinc/80/14/50/132801450.db2.gz IEKGMQBOQUJJSR-HSZRJFAPSA-N 0 0 414.553 4.800 50 0 HJAARN Cc1cc(C)cc(NC(=O)C2CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)c1 ZINC000035398597 132801741 /nfs/dbraw/zinc/80/17/41/132801741.db2.gz STGFALFBFMSRFB-UHFFFAOYSA-N 0 0 404.489 4.755 50 0 HJAARN CC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4ccccc4F)s3)CC2)cc1 ZINC000032816039 518348390 /nfs/dbraw/zinc/34/83/90/518348390.db2.gz QAVSMBAFHXIOEO-UHFFFAOYSA-N 0 0 408.498 4.719 50 0 HJAARN CC(C)(C)c1noc(CCCC(=O)Nc2ccc(-n3cnc4ccccc43)cc2)n1 ZINC000041776731 519131386 /nfs/dbraw/zinc/13/13/86/519131386.db2.gz MKSRRLSNKDLNPV-UHFFFAOYSA-N 0 0 403.486 4.667 50 0 HJAARN CC(C)CN1c2ccc(Cl)cc2[C@@]2(CC(=O)Nc3c2cnn3-c2ccccc2)C1=O ZINC000032074129 519732843 /nfs/dbraw/zinc/73/28/43/519732843.db2.gz RJAOMNIGEOHPDT-HSZRJFAPSA-N 0 0 420.900 4.806 50 0 HJAARN CC(=O)Nc1cccc([C@H](C)N(CC(=O)N[C@H]2CCCC[C@@H]2C)Cc2ccccc2)c1 ZINC000032909357 519747679 /nfs/dbraw/zinc/74/76/79/519747679.db2.gz WWJSHHNOZQNMMT-RLSLOFABSA-N 0 0 421.585 4.903 50 0 HJAARN CC(C)[C@H](NC(=O)C(=O)Nc1ccc2oc(C3CC3)nc2c1)c1ccc(Cl)cc1 ZINC000041239736 519817936 /nfs/dbraw/zinc/81/79/36/519817936.db2.gz CCHWIKTVFZSOJN-IBGZPJMESA-N 0 0 411.889 4.811 50 0 HJAARN CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)N1CCn2cccc2[C@H]1C ZINC000030262162 520079326 /nfs/dbraw/zinc/07/93/26/520079326.db2.gz ODSILPFCPQHQRK-OAHLLOKOSA-N 0 0 405.527 4.759 50 0 HJAARN CCCOc1c(Cl)cc(C(=O)NC[C@H]2COc3ccccc3C2)cc1OCC ZINC000032744640 520294236 /nfs/dbraw/zinc/29/42/36/520294236.db2.gz ALGQNPCFFZMFPB-HNNXBMFYSA-N 0 0 403.906 4.509 50 0 HJAARN CCCOc1cccc(C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)c1 ZINC000019922837 520446288 /nfs/dbraw/zinc/44/62/88/520446288.db2.gz CTEKISNRRRYLHN-UHFFFAOYSA-N 0 0 404.445 4.909 50 0 HJAARN CCCCN1c2ccccc2[C@@]2(CC(=O)Nc3c2cnn3-c2ccc(C)c(C)c2)C1=O ZINC000032088335 520600757 /nfs/dbraw/zinc/60/07/57/520600757.db2.gz UMISJKWKLXVLST-RUZDIDTESA-N 0 0 414.509 4.914 50 0 HJAARN CCOC(=O)CSc1ncc(-c2ccc(Br)cc2)n1-c1ccccc1 ZINC000044085388 520813237 /nfs/dbraw/zinc/81/32/37/520813237.db2.gz HGVMQWIOEAIPBS-UHFFFAOYSA-N 0 0 417.328 4.957 50 0 HJAARN CCCCOc1ccc(-c2n[nH]cc2C(=O)NCc2ccc(OCCC)cc2)cc1 ZINC000072328986 520848984 /nfs/dbraw/zinc/84/89/84/520848984.db2.gz KDJQSNYMOLIJDZ-UHFFFAOYSA-N 0 0 407.514 4.974 50 0 HJAARN CCOc1ccccc1-c1nc(CN2CCC[C@H](C(=O)c3cccnc3)C2)c(C)o1 ZINC000020539966 521438928 /nfs/dbraw/zinc/43/89/28/521438928.db2.gz SAOODQBQXCYFRJ-IBGZPJMESA-N 0 0 405.498 4.539 50 0 HJAARN CCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2ccc(C)cc2C)C1 ZINC000044803676 521608558 /nfs/dbraw/zinc/60/85/58/521608558.db2.gz PCPXBNOGXXBYQZ-SFHVURJKSA-N 0 0 404.514 4.500 50 0 HJAARN CCN1CCc2nc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)sc2C1 ZINC000032969109 521725156 /nfs/dbraw/zinc/72/51/56/521725156.db2.gz HMQWICNZEUDVTF-FQEVSTJZSA-N 0 0 409.580 4.993 50 0 HJAARN CCc1cccc(NC(=O)C2CCN(C(=O)N3C[C@H](CC)Oc4ccccc43)CC2)c1 ZINC000006846703 521749439 /nfs/dbraw/zinc/74/94/39/521749439.db2.gz LXJSJCVSUHSBMD-NRFANRHFSA-N 0 0 421.541 4.697 50 0 HJAARN COc1cc(Br)c(CN[C@@H](c2ccccc2)c2ccccn2)cc1OC ZINC000025363717 522021475 /nfs/dbraw/zinc/02/14/75/522021475.db2.gz IZKUFMGAQONHCX-NRFANRHFSA-N 0 0 413.315 4.741 50 0 HJAARN COc1cc(Br)c(OC)c(C(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000032895735 522023533 /nfs/dbraw/zinc/02/35/33/522023533.db2.gz MOLVRXFZEZYSSO-UHFFFAOYSA-N 0 0 418.331 4.561 50 0 HJAARN COc1cc(N2CCn3c(nc4ccccc43)C2)ccc1NC(=O)NC1CCCCC1 ZINC000019855436 522635997 /nfs/dbraw/zinc/63/59/97/522635997.db2.gz JLXDDVGKWZWFQK-UHFFFAOYSA-N 0 0 419.529 4.519 50 0 HJAARN CCc1nn2c(nnc3c2ccn([C@@H]2CCCC[C@H]2C)c3=O)c1-c1ccc(F)cc1 ZINC000040391680 522716010 /nfs/dbraw/zinc/71/60/10/522716010.db2.gz LIFGWHIGSFIDAS-RDTXWAMCSA-N 0 0 405.477 4.559 50 0 HJAARN COc1cc(Nc2ccc(NC(=O)Nc3cc(Cl)ccc3OC)cc2)nc(C)n1 ZINC000012225692 522766528 /nfs/dbraw/zinc/76/65/28/522766528.db2.gz XQVWWNROGBGHBP-UHFFFAOYSA-N 0 0 413.865 4.843 50 0 HJAARN COc1cc(OC)cc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036246225 522861673 /nfs/dbraw/zinc/86/16/73/522861673.db2.gz MHGOPSYISGIVQC-UHFFFAOYSA-N 0 0 417.914 4.753 50 0 HJAARN COc1cc(SC)ccc1C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000006968549 522896421 /nfs/dbraw/zinc/89/64/21/522896421.db2.gz BYLOCAAPRYVRPW-UHFFFAOYSA-N 0 0 414.508 4.564 50 0 HJAARN CN(Cc1c(F)cccc1Cl)C(=O)CSc1nc2ccccc2n1C(F)F ZINC000032850474 523155120 /nfs/dbraw/zinc/15/51/20/523155120.db2.gz HVTZUDGHIURRSB-UHFFFAOYSA-N 0 0 413.852 4.975 50 0 HJAARN CN(Cc1ccc(Br)cc1)C(=O)Cc1csc(Cc2ccccc2)n1 ZINC000032681078 523197842 /nfs/dbraw/zinc/19/78/42/523197842.db2.gz TWXRJZNGUOFHSS-UHFFFAOYSA-N 0 0 415.356 4.698 50 0 HJAARN COc1ccc(-c2nc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)co2)cc1 ZINC000032906038 523202800 /nfs/dbraw/zinc/20/28/00/523202800.db2.gz BLPLUOWKNJYVDV-UHFFFAOYSA-N 0 0 417.431 4.691 50 0 HJAARN COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)c1cccc(Br)c1 ZINC000032071471 523233970 /nfs/dbraw/zinc/23/39/70/523233970.db2.gz RMXDNIKOUIPWHI-UHFFFAOYSA-N 0 0 424.254 4.913 50 0 HJAARN COc1ccc(-c2nn(C)c3c2[C@H](c2ccccc2)N(CCc2ccccc2)C3=O)cc1 ZINC000032593632 523243430 /nfs/dbraw/zinc/24/34/30/523243430.db2.gz DYSKSKKVLBWXAM-VWLOTQADSA-N 0 0 423.516 4.884 50 0 HJAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1ccc(Br)s1 ZINC000032753510 523562000 /nfs/dbraw/zinc/56/20/00/523562000.db2.gz CQEAHTVIRVAXCF-UHFFFAOYSA-N 0 0 400.248 4.528 50 0 HJAARN COc1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)c(OC)c1OC ZINC000032963901 523613455 /nfs/dbraw/zinc/61/34/55/523613455.db2.gz IFFOIFCXIZNODL-UHFFFAOYSA-N 0 0 405.494 4.598 50 0 HJAARN COc1ccc(C2(C(=O)Nc3nc(-c4cccs4)cs3)CCOCC2)cc1 ZINC000072405340 523866577 /nfs/dbraw/zinc/86/65/77/523866577.db2.gz YOLPQJMBSFTSKJ-UHFFFAOYSA-N 0 0 400.525 4.567 50 0 HJAARN COc1ccc(C2C(=O)C(=O)N(Cc3cccc(OC)c3)[C@H]2c2ccccc2F)cc1 ZINC000040485465 523872264 /nfs/dbraw/zinc/87/22/64/523872264.db2.gz AUFLBOWADWEBQV-QHCPKHFHSA-N 0 0 419.452 4.896 50 0 HJAARN COc1ccc(CC(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)cc1 ZINC000032961074 523909786 /nfs/dbraw/zinc/90/97/86/523909786.db2.gz CQQLAKKIJLNEGT-UHFFFAOYSA-N 0 0 417.490 4.738 50 0 HJAARN COc1ccc(COc2ccc(C)nc2-c2ccc(F)cc2)nc1Br ZINC000019872920 524118608 /nfs/dbraw/zinc/11/86/08/524118608.db2.gz QYHHHUPKXSCJPQ-UHFFFAOYSA-N 0 0 403.251 4.941 50 0 HJAARN COc1ccc(C[C@H](Cc2ccc3c(c2)OCO3)NC(=O)Nc2cccc(F)c2)cc1 ZINC000032948812 524156066 /nfs/dbraw/zinc/15/60/66/524156066.db2.gz RDXOBLCHVBNVCW-HXUWFJFHSA-N 0 0 422.456 4.539 50 0 HJAARN COc1ccc(C[C@H](Cc2ccc3c(c2)OCO3)NC(=O)c2ccc(Cl)cc2)cc1 ZINC000032949225 524156404 /nfs/dbraw/zinc/15/64/04/524156404.db2.gz YEBCZNYQWDUINK-HXUWFJFHSA-N 0 0 423.896 4.661 50 0 biogenic HJAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cnn(-c3ccccc3)c2C(C)C)c(C)c1 ZINC000032779831 524284076 /nfs/dbraw/zinc/28/40/76/524284076.db2.gz PCMHRSZQDDJMDD-UHFFFAOYSA-N 0 0 418.541 4.632 50 0 HJAARN Cc1cc(C)c2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)CN1CCOCC1 ZINC000019774115 524341832 /nfs/dbraw/zinc/34/18/32/524341832.db2.gz UFRFWBVENZYLQU-UHFFFAOYSA-N 0 0 420.625 4.737 50 0 HJAARN COc1ccc(N2C(=O)c3ccccc3/C(=C/N(C)Cc3ccc(C)cc3)C2=O)cc1 ZINC000032714695 524399677 /nfs/dbraw/zinc/39/96/77/524399677.db2.gz FWZIMODCCGCIHD-ULJHMMPZSA-N 0 0 412.489 4.664 50 0 HJAARN Cc1ccc(CNC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1C ZINC000032579033 524507586 /nfs/dbraw/zinc/50/75/86/524507586.db2.gz OLOJMYYHTFIMJT-UHFFFAOYSA-N 0 0 413.477 4.716 50 0 HJAARN Cc1ccc(CNC(=O)COc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)cc1 ZINC000032578779 524507804 /nfs/dbraw/zinc/50/78/04/524507804.db2.gz MLHTXBVZYOCYES-UHFFFAOYSA-N 0 0 413.477 4.716 50 0 HJAARN COc1ccc(NC(=O)c2sc(N(Cc3ccco3)C(C)=O)nc2C)cc1Cl ZINC000044920629 524662292 /nfs/dbraw/zinc/66/22/92/524662292.db2.gz NCUCDVCUDKMHTB-UHFFFAOYSA-N 0 0 419.890 4.512 50 0 HJAARN COc1ccccc1[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)c1nccn1C ZINC000032764549 524737316 /nfs/dbraw/zinc/73/73/16/524737316.db2.gz GQBFXCQKDNCEFB-HXUWFJFHSA-N 0 0 418.324 4.574 50 0 HJAARN COc1ccc(OC)c(NC(=O)c2ccc(Cl)c(-n3c(C)nc4cccnc43)c2)c1 ZINC000032932176 524865327 /nfs/dbraw/zinc/86/53/27/524865327.db2.gz RMCHNTKKZYENLW-UHFFFAOYSA-N 0 0 422.872 4.652 50 0 HJAARN Cc1cccc2c(=O)cc(C(=O)N3CCC(c4nc5ccccc5s4)CC3)oc12 ZINC000032622506 524924789 /nfs/dbraw/zinc/92/47/89/524924789.db2.gz UKSVGPNXOSNZTJ-UHFFFAOYSA-N 0 0 404.491 4.731 50 0 HJAARN Cc1ccc(NC(=O)CSc2nnc(-c3cccc(F)c3)n2CC(C)C)c(F)c1 ZINC000032579575 525084724 /nfs/dbraw/zinc/08/47/24/525084724.db2.gz JPYWLEGEHWRJQV-UHFFFAOYSA-N 0 0 416.497 4.919 50 0 HJAARN Cc1ccc(NC(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)cc1Cl ZINC000032953835 525185674 /nfs/dbraw/zinc/18/56/74/525185674.db2.gz ZXFFRSIBIPIVOX-UHFFFAOYSA-N 0 0 410.905 4.986 50 0 HJAARN COc1ccc([C@@H]2CCCN2C(=O)Cc2csc(-c3ccccc3)n2)cc1OC ZINC000032895134 525244901 /nfs/dbraw/zinc/24/49/01/525244901.db2.gz KSFOGOHOUCZKIO-IBGZPJMESA-N 0 0 408.523 4.734 50 0 HJAARN Cc1ccc(NC(=S)Nn2c(=O)c3ccccc3nc2-c2ccc(C)cc2)cc1 ZINC000019897563 525267017 /nfs/dbraw/zinc/26/70/17/525267017.db2.gz VMDZKLSUWZCOMJ-UHFFFAOYSA-N 0 0 400.507 4.621 50 0 HJAARN Cc1ccccc1Nc1nc(N)nc(CSCc2cc(F)cc3cccnc32)n1 ZINC000032814991 525274779 /nfs/dbraw/zinc/27/47/79/525274779.db2.gz ZUFAUEOKIDRJQI-UHFFFAOYSA-N 0 0 406.490 4.627 50 0 HJAARN Cc1ccc(Nc2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)c(Cl)c1 ZINC000032943586 525325172 /nfs/dbraw/zinc/32/51/72/525325172.db2.gz IVBZPMDFLXLQKC-UHFFFAOYSA-N 0 0 401.919 4.725 50 0 HJAARN Cc1c(-c2cccc(Cl)c2)nn2c1NC(=O)C[C@H]2C(=O)Nc1ccc(C)cc1C ZINC000032097079 525509385 /nfs/dbraw/zinc/50/93/85/525509385.db2.gz LFXBPFKOQJCZSN-SFHVURJKSA-N 0 0 408.889 4.651 50 0 HJAARN Cc1c(=O)c2cccc(C(=O)Nc3ccccc3-n3cncn3)c2oc1-c1ccccc1 ZINC000032765268 525523673 /nfs/dbraw/zinc/52/36/73/525523673.db2.gz VXYYUSHEWPVCLC-UHFFFAOYSA-N 0 0 422.444 4.601 50 0 HJAARN COc1ccc2nc(C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4s3)ccc2c1 ZINC000032868841 525659358 /nfs/dbraw/zinc/65/93/58/525659358.db2.gz WLPZMSKQXVLUAO-QGZVFWFLSA-N 0 0 419.506 4.679 50 0 HJAARN C[C@H](Nc1cccc(N2CCCC2=O)c1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000032810915 525667914 /nfs/dbraw/zinc/66/79/14/525667914.db2.gz IRANENJVFXUZIY-IBGZPJMESA-N 0 0 413.521 4.520 50 0 HJAARN COc1ccc2nc(NC(=O)COc3ccccc3C3SCCS3)sc2c1 ZINC000024761243 525671832 /nfs/dbraw/zinc/67/18/32/525671832.db2.gz MOWGSEKOOIZTKT-UHFFFAOYSA-N 0 0 418.565 4.801 50 0 HJAARN COc1ccc2sc(NC(=O)CSc3nc4cc(Cl)ccc4[nH]3)nc2c1 ZINC000045068046 525696499 /nfs/dbraw/zinc/69/64/99/525696499.db2.gz AQEDYZKKGRGPGG-UHFFFAOYSA-N 0 0 404.904 4.565 50 0 HJAARN COc1cccc(-c2cc(C(=O)Nc3cnn(C45CC6CC(CC(C6)C4)C5)c3)on2)c1 ZINC000020491414 525706151 /nfs/dbraw/zinc/70/61/51/525706151.db2.gz WIYSRPXRSCEWML-UHFFFAOYSA-N 0 0 418.497 4.724 50 0 HJAARN 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CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)NC1CCCCC1)CC2 ZINC000021101198 535785165 /nfs/dbraw/zinc/78/51/65/535785165.db2.gz SJJKKUGYGLQUIR-UHFFFAOYSA-N 0 0 406.574 4.959 50 0 biogenic HJAARN CN(C(=O)c1ccccc1N1CCC(NC(=O)CC(C)(C)C)CC1)C1CCCCC1 ZINC000035810782 536068518 /nfs/dbraw/zinc/06/85/18/536068518.db2.gz PEFBLYDYOCUZOP-UHFFFAOYSA-N 0 0 413.606 4.613 50 0 HJAARN CN1C(=O)/C(=C\c2ccccc2)Sc2ccc(C(=O)NCc3cccs3)cc21 ZINC000004931941 536305483 /nfs/dbraw/zinc/30/54/83/536305483.db2.gz VGIJZSKLVAYFAX-UDWIEESQSA-N 0 0 406.532 4.788 50 0 HJAARN COc1cc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc(OC)c1OC ZINC000003449549 536528229 /nfs/dbraw/zinc/52/82/29/536528229.db2.gz YXJKWKFZDXYLJX-UHFFFAOYSA-N 0 0 404.894 4.608 50 0 HJAARN COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCC(C)C ZINC000009164724 536548791 /nfs/dbraw/zinc/54/87/91/536548791.db2.gz UJOUNUIRCPSPCP-UHFFFAOYSA-N 0 0 400.906 4.926 50 0 HJAARN COc1ccc([C@H](NC(=O)CN2CCSc3ccccc32)c2ccccc2)cc1 ZINC000007359913 536925059 /nfs/dbraw/zinc/92/50/59/536925059.db2.gz UXBABQYZBQHXPD-XMMPIXPASA-N 0 0 404.535 4.513 50 0 HJAARN COc1ccccc1N1CCN(c2nnc(-c3ccc(F)cc3)c3ccccc32)CC1 ZINC000001895472 537072342 /nfs/dbraw/zinc/07/23/42/537072342.db2.gz DVCZEZZEYJMEGW-UHFFFAOYSA-N 0 0 414.484 4.771 50 0 HJAARN COc1ccccc1[C@@H]1[C@H](C(=O)Nc2ccncc2)CCC(=O)N1c1ccc(C)cc1 ZINC000012775979 537105594 /nfs/dbraw/zinc/10/55/94/537105594.db2.gz BBRCWTVFWKRRJT-ZJSXRUAMSA-N 0 0 415.493 4.522 50 0 HJAARN Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000000622439 557019791 /nfs/dbraw/zinc/01/97/91/557019791.db2.gz LURPBGHCJBTAOF-UHFFFAOYSA-N 0 0 400.507 4.974 50 0 HJAARN COC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@H](C(=O)OC)[C@@H]1c1ccc(C)cc1 ZINC000000626795 557023376 /nfs/dbraw/zinc/02/33/76/557023376.db2.gz UHKVQSSIPLSBFK-VXKWHMMOSA-N 0 0 405.494 4.675 50 0 HJAARN COC(=O)c1cc(Oc2ncnc3sc(-c4ccccc4)cc32)cc(C(=O)OC)c1 ZINC000000628413 557024382 /nfs/dbraw/zinc/02/43/82/557024382.db2.gz CDKCOUSESHPWIL-UHFFFAOYSA-N 0 0 420.446 4.724 50 0 HJAARN Cc1cc(C(=O)CSc2nnc3sc4ccccc4n23)c(C)n1Cc1ccco1 ZINC000000628610 557024558 /nfs/dbraw/zinc/02/45/58/557024558.db2.gz PPERCCREKHVBFQ-UHFFFAOYSA-N 0 0 422.535 4.979 50 0 HJAARN O=C(Cc1ccccc1Br)Nc1c(F)cc(F)cc1Br ZINC000000629591 557025276 /nfs/dbraw/zinc/02/52/76/557025276.db2.gz QSOZXSOPHRXYMC-UHFFFAOYSA-N 0 0 405.036 4.671 50 0 HJAARN CCc1c2c(N)c(C(=O)Nc3ccc(F)cc3)sc2nc2c1C(=O)CC(C)(C)C2 ZINC000000630188 557025759 /nfs/dbraw/zinc/02/57/59/557025759.db2.gz YDANHZYMUXCDQA-UHFFFAOYSA-N 0 0 411.502 4.987 50 0 HJAARN CCOc1ccc(NC(=O)Cn2nc(-c3ccccc3Cl)n(CC)c2=S)cc1 ZINC000000639420 557031427 /nfs/dbraw/zinc/03/14/27/557031427.db2.gz DXJNMCAGRBCYBR-UHFFFAOYSA-N 0 0 416.934 4.792 50 0 HJAARN Cc1cc(-c2ccccc2)nc2oc3c([nH]c(=O)n(-c4ccc(Cl)cc4)c3=O)c21 ZINC000000642429 557033176 /nfs/dbraw/zinc/03/31/76/557033176.db2.gz VLUJJKKPJBRYSW-UHFFFAOYSA-N 0 0 403.825 4.861 50 0 HJAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000000646539 557036245 /nfs/dbraw/zinc/03/62/45/557036245.db2.gz QKPDZKMZTWBXRN-GFCCVEGCSA-N 0 0 419.428 4.825 50 0 HJAARN CCc1cccc(CC)c1NC(=O)CSc1nnc(CNc2ccc(C)cc2)n1C ZINC000000649862 557038383 /nfs/dbraw/zinc/03/83/83/557038383.db2.gz CKUCTNNMRAZDTA-UHFFFAOYSA-N 0 0 423.586 4.591 50 0 HJAARN COC(=O)c1c2c(sc1NC(=O)c1c(C)onc1-c1ccccc1Cl)CCC2 ZINC000000656555 557041423 /nfs/dbraw/zinc/04/14/23/557041423.db2.gz RYISEVBTXVQDOD-UHFFFAOYSA-N 0 0 416.886 4.893 50 0 HJAARN COc1cc(/C=C2/N=C(c3cccc(Br)c3)OC2=O)ccc1OC(C)C ZINC000000662843 557044124 /nfs/dbraw/zinc/04/41/24/557044124.db2.gz OYQHEXJZCVGVAO-CXUHLZMHSA-N 0 0 416.271 4.589 50 0 HJAARN Cc1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1-c1ccc(C)c(C)c1 ZINC000000663913 557044549 /nfs/dbraw/zinc/04/45/49/557044549.db2.gz BXMTVDVVHTYNAL-UHFFFAOYSA-N 0 0 404.898 4.716 50 0 HJAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2CC(C)C)cc1Cl ZINC000000664098 557044742 /nfs/dbraw/zinc/04/47/42/557044742.db2.gz LKLRPHICZALUHC-UHFFFAOYSA-N 0 0 415.950 4.689 50 0 HJAARN CCc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000000667499 557046545 /nfs/dbraw/zinc/04/65/45/557046545.db2.gz FYTDYFOMXBOFEK-UHFFFAOYSA-N 0 0 422.550 4.930 50 0 HJAARN COC(=O)c1ccccc1NC(=O)c1cc(-c2ccccc2OC)nc2ccccc21 ZINC000000673375 557050319 /nfs/dbraw/zinc/05/03/19/557050319.db2.gz HIDGAOAULFRTBA-UHFFFAOYSA-N 0 0 412.445 4.949 50 0 HJAARN CC(C)NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000000674858 557051618 /nfs/dbraw/zinc/05/16/18/557051618.db2.gz FYVPFNWDTUUMHG-JSGCOSHPSA-N 0 0 421.250 4.988 50 0 HJAARN CCN(CC)c1ccc(NC(=O)COc2ccc(Cl)cc2Br)cc1 ZINC000000676788 557053172 /nfs/dbraw/zinc/05/31/72/557053172.db2.gz VRDXULUUTWKTBN-UHFFFAOYSA-N 0 0 411.727 4.966 50 0 HJAARN CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccc(C)cc1 ZINC000000681333 557055883 /nfs/dbraw/zinc/05/58/83/557055883.db2.gz XSAOEPVOMMNYDX-UHFFFAOYSA-N 0 0 400.935 4.966 50 0 HJAARN CSc1nnc2c(n1)O[C@H](c1ccco1)N(C(=O)c1ccccc1)c1ccccc1-2 ZINC000000684716 557058024 /nfs/dbraw/zinc/05/80/24/557058024.db2.gz PPBGBOUIAGHPTA-OAQYLSRUSA-N 0 0 416.462 4.592 50 0 HJAARN COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000688041 557059754 /nfs/dbraw/zinc/05/97/54/557059754.db2.gz VQYVKQPXIGFYJJ-XMMPIXPASA-N 0 0 420.534 4.852 50 0 HJAARN O=C(N/C(=C\c1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000000689429 557060331 /nfs/dbraw/zinc/06/03/31/557060331.db2.gz AWDYISYQPHXNTF-QLYXXIJNSA-N 0 0 424.544 4.939 50 0 HJAARN COc1ccc(Oc2coc3cc(O[C@@H](C)C(=O)OCC(C)C)ccc3c2=O)cc1 ZINC000000710189 557065831 /nfs/dbraw/zinc/06/58/31/557065831.db2.gz OLDNNVJTRLAPGV-HNNXBMFYSA-N 0 0 412.438 4.560 50 0 HJAARN CCOC(=O)c1c(C)[nH]c(C(=O)CSc2cc(C)c3ccc(OC)cc3n2)c1C ZINC000000715689 557067895 /nfs/dbraw/zinc/06/78/95/557067895.db2.gz BWXPJNOKMARMAT-UHFFFAOYSA-N 0 0 412.511 4.648 50 0 HJAARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc(Br)cc1 ZINC000000722906 557071423 /nfs/dbraw/zinc/07/14/23/557071423.db2.gz YMSBJNLDDKHUSM-UHFFFAOYSA-N 0 0 407.271 4.744 50 0 HJAARN COc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)Nc2ccc(C)cc2)cc1 ZINC000000727388 557073792 /nfs/dbraw/zinc/07/37/92/557073792.db2.gz RXPZOJUSRSOVDG-XQNSMLJCSA-N 0 0 400.478 4.722 50 0 HJAARN O=C(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000000792988 557081869 /nfs/dbraw/zinc/08/18/69/557081869.db2.gz GDXZPYWAWKTTFI-UHFFFAOYSA-N 0 0 419.546 4.614 50 0 HJAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccc3ccccc32)NC(=S)N1 ZINC000000799832 557084346 /nfs/dbraw/zinc/08/43/46/557084346.db2.gz QQCYEYXATFZQOK-FQEVSTJZSA-N 0 0 407.926 4.925 50 0 HJAARN COc1ccc(Cc2nnc(NC(=O)c3cc(Cl)ccc3Cl)s2)cc1OC ZINC000000804663 557086254 /nfs/dbraw/zinc/08/62/54/557086254.db2.gz JCNCXEHUAWNWFQ-UHFFFAOYSA-N 0 0 424.309 4.705 50 0 HJAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N(C)C4CCCCC4)c3n2)cc1 ZINC000000815372 557089721 /nfs/dbraw/zinc/08/97/21/557089721.db2.gz MSULRPXPUFYMSO-UHFFFAOYSA-N 0 0 414.456 4.747 50 0 HJAARN CCOc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000000845577 557099263 /nfs/dbraw/zinc/09/92/63/557099263.db2.gz JBDBBZVXBRZWPO-GOSISDBHSA-N 0 0 420.296 4.659 50 0 HJAARN O=C(Nc1cccc(O)c1)c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Cl ZINC000000848542 557100086 /nfs/dbraw/zinc/10/00/86/557100086.db2.gz XCAPSEOFFJWZMM-UHFFFAOYSA-N 0 0 422.750 4.619 50 0 HJAARN O=C(CSc1nnc(Cc2ccccc2)o1)Nc1nc(-c2ccccc2)cs1 ZINC000000849777 557100655 /nfs/dbraw/zinc/10/06/55/557100655.db2.gz ZKFRAPZALLWLEG-UHFFFAOYSA-N 0 0 408.508 4.515 50 0 HJAARN CC(C)(C)c1ccc(OCC(=O)Nc2cccc(C(=O)Nc3nccs3)c2)cc1 ZINC000000852557 557101637 /nfs/dbraw/zinc/10/16/37/557101637.db2.gz GXLMONGKOXAAGI-UHFFFAOYSA-N 0 0 409.511 4.710 50 0 HJAARN COc1cc2c(cc1Br)n(-c1ccccc1)c(C)c2C(=O)N1CCCC1 ZINC000000862825 557104648 /nfs/dbraw/zinc/10/46/48/557104648.db2.gz OBNHVNUJYUUWGF-UHFFFAOYSA-N 0 0 413.315 4.946 50 0 HJAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCC(C)C)c(Cl)c3N2)cc1 ZINC000000867054 557106279 /nfs/dbraw/zinc/10/62/79/557106279.db2.gz WCPYRTAOJUYXQH-KBPBESRZSA-N 0 0 414.859 4.891 50 0 HJAARN Cc1cc(NC(=S)NC(=O)c2cccs2)ccc1-c1cc2ccccc2oc1=O ZINC000000877423 557108898 /nfs/dbraw/zinc/10/88/98/557108898.db2.gz QQCMOYBONZFYAK-UHFFFAOYSA-N 0 0 420.515 4.957 50 0 HJAARN Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ncccc4o3)c2)cc1C ZINC000000881442 557109750 /nfs/dbraw/zinc/10/97/50/557109750.db2.gz DMGKMZWQQYMMJH-UHFFFAOYSA-N 0 0 402.479 4.633 50 0 HJAARN CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)c1ccccc1 ZINC000000892304 557112403 /nfs/dbraw/zinc/11/24/03/557112403.db2.gz OWJCBUDAZCWXDD-UHFFFAOYSA-N 0 0 404.466 4.989 50 0 HJAARN COc1ccc(Cn2c3ccccc3nc2-c2ccc(OC)c(OC)c2)cc1OC ZINC000000912242 557116618 /nfs/dbraw/zinc/11/66/18/557116618.db2.gz DVLPFAGTQLYEDZ-UHFFFAOYSA-N 0 0 404.466 4.786 50 0 HJAARN O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCCc1ccccc1 ZINC000000917935 557118212 /nfs/dbraw/zinc/11/82/12/557118212.db2.gz RBCIHHYHCNCLDD-UHFFFAOYSA-N 0 0 421.444 4.597 50 0 HJAARN COc1ccc(NC(=O)CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1 ZINC000000918014 557118235 /nfs/dbraw/zinc/11/82/35/557118235.db2.gz HKBXFUNVHLNRBR-UHFFFAOYSA-N 0 0 423.416 4.885 50 0 HJAARN CCc1ccccc1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000000919655 557118862 /nfs/dbraw/zinc/11/88/62/557118862.db2.gz AMBBCTRLNVODAY-RHSMWYFYSA-N 0 0 404.392 4.951 50 0 HJAARN CCN(CC)c1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000000951173 557124319 /nfs/dbraw/zinc/12/43/19/557124319.db2.gz JDISZUSORBTXKM-UHFFFAOYSA-N 0 0 413.477 4.586 50 0 HJAARN Cc1cc(Cl)ccc1NC(=O)COc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000000954915 557125830 /nfs/dbraw/zinc/12/58/30/557125830.db2.gz DMMDVPSJRYGHKY-UHFFFAOYSA-N 0 0 408.885 4.596 50 0 HJAARN COC(=O)c1ccc(Cn2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1 ZINC000000955638 557126048 /nfs/dbraw/zinc/12/60/48/557126048.db2.gz QFKPYRXKQOXMSS-UHFFFAOYSA-N 0 0 410.882 4.613 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)COc1ccc(C(=O)NCCc2ccccc2)cc1 ZINC000000955480 557126075 /nfs/dbraw/zinc/12/60/75/557126075.db2.gz GCVCOMLFTQSMNL-UHFFFAOYSA-N 0 0 422.912 4.638 50 0 HJAARN COC(=O)c1ccc(Cn2cnc3sc(C)c(-c4ccc(Cl)cc4)c3c2=O)cc1 ZINC000000959708 557127007 /nfs/dbraw/zinc/12/70/07/557127007.db2.gz GNYKRFNZFQWYTF-UHFFFAOYSA-N 0 0 424.909 4.922 50 0 HJAARN CCc1ccc(C2C(C(=O)OC)=CN([C@@H](C)c3ccccc3)C=C2C(=O)OC)cc1 ZINC000000968740 557127331 /nfs/dbraw/zinc/12/73/31/557127331.db2.gz ZIWLEAYZWSRWLN-KRWDZBQOSA-N 0 0 405.494 4.523 50 0 HJAARN Cc1ccccc1C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(F)cc2)c1 ZINC000000980433 557130084 /nfs/dbraw/zinc/13/00/84/557130084.db2.gz SSKOMMAKMULTAZ-UHFFFAOYSA-N 0 0 407.470 4.513 50 0 HJAARN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc(Cl)ccc3C)o2)C1=O ZINC000000981751 557130698 /nfs/dbraw/zinc/13/06/98/557130698.db2.gz UQSBLKZXCVCSQL-LKBVRNOZSA-N 0 0 405.859 4.506 50 0 HJAARN CCc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000000982665 557130733 /nfs/dbraw/zinc/13/07/33/557130733.db2.gz LGRAYUCASCGHEQ-UHFFFAOYSA-N 0 0 408.523 4.635 50 0 HJAARN CCOC(=O)c1cc(NC(=O)CSc2nc3ccccc3s2)ccc1Cl ZINC000000983420 557131265 /nfs/dbraw/zinc/13/12/65/557131265.db2.gz NLQHKGYMNFKFKW-UHFFFAOYSA-N 0 0 406.916 4.857 50 0 HJAARN CCOc1ccc2nc(S[C@H]3CC(=O)N(c4ccc(C)cc4C)C3=O)sc2c1 ZINC000000985102 557131894 /nfs/dbraw/zinc/13/18/94/557131894.db2.gz ZWBSISUIUUZIKQ-SFHVURJKSA-N 0 0 412.536 4.736 50 0 HJAARN CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)C[C@H](C)c2ccccc2)cc1 ZINC000000987035 557132554 /nfs/dbraw/zinc/13/25/54/557132554.db2.gz RSCGOZOTVRXSKS-SFHVURJKSA-N 0 0 402.560 4.630 50 0 HJAARN CC(C)(C)c1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccccc3)C2=O)cc1 ZINC000000990055 557133884 /nfs/dbraw/zinc/13/38/84/557133884.db2.gz SJHBISMGZKGULC-HHHXNRCGSA-N 0 0 413.517 4.992 50 0 HJAARN O=C(Oc1ccc(I)cc1)c1cc(Cl)nc2ccccc21 ZINC000000991895 557135374 /nfs/dbraw/zinc/13/53/74/557135374.db2.gz VTRHBIZFBIEKBV-UHFFFAOYSA-N 0 0 409.610 4.712 50 0 HJAARN CCc1ccc(C(=O)COC(=O)c2ccc(COc3ccccc3OC)cc2)cc1 ZINC000000992733 557135377 /nfs/dbraw/zinc/13/53/77/557135377.db2.gz RQFCVDDVSXWQCE-UHFFFAOYSA-N 0 0 404.462 4.876 50 0 HJAARN CCOc1cc(-c2nnc(-c3ccc(Br)o3)o2)cc(OCC)c1OCC ZINC000000994780 557137011 /nfs/dbraw/zinc/13/70/11/557137011.db2.gz AYGFQGSHOFSQCL-UHFFFAOYSA-N 0 0 423.263 4.955 50 0 HJAARN CC[C@@H]1CCc2c(sc(NC(=O)c3c(C)onc3-c3ccccc3)c2C(N)=O)C1 ZINC000000995183 557137322 /nfs/dbraw/zinc/13/73/22/557137322.db2.gz FDFMQTDQVOUSNP-CYBMUJFWSA-N 0 0 409.511 4.578 50 0 HJAARN COc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)c3ccccc3n2)c(OC)c1 ZINC000000995932 557137561 /nfs/dbraw/zinc/13/75/61/557137561.db2.gz MEKFFJKQDYUEMV-UHFFFAOYSA-N 0 0 416.452 4.988 50 0 HJAARN CC[C@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](CC)C2 ZINC000000996946 557138168 /nfs/dbraw/zinc/13/81/68/557138168.db2.gz CJQQMHNLURMGHL-PBHICJAKSA-N 0 0 401.528 4.846 50 0 HJAARN COc1ccc(Br)cc1/C=C1\SC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000001011153 557142013 /nfs/dbraw/zinc/14/20/13/557142013.db2.gz LKLUDDIWNZLRGF-SXGWCWSVSA-N 0 0 422.275 4.833 50 0 HJAARN C[C@@H](Oc1ccc(Br)cc1Br)C(=O)Nc1cccc(F)c1 ZINC000001017080 557143276 /nfs/dbraw/zinc/14/32/76/557143276.db2.gz 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CCN(Cc1ccccc1)C(=O)CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1 ZINC000011839105 558285975 /nfs/dbraw/zinc/28/59/75/558285975.db2.gz HAWUJDSUQJPBTA-MHZLTWQESA-N 0 0 414.549 4.860 50 0 HJAARN CCOc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019809047 558286395 /nfs/dbraw/zinc/28/63/95/558286395.db2.gz HZBSTKQZRLGIDI-UHFFFAOYSA-N 0 0 400.522 4.633 50 0 HJAARN S=C(Nc1ccc(Nc2ccccc2)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000019840871 558293967 /nfs/dbraw/zinc/29/39/67/558293967.db2.gz OQLILGQMBAGPLX-UHFFFAOYSA-N 0 0 402.567 4.945 50 0 HJAARN CC(C)N(C)C(=O)c1cc(NC(=O)c2ccccc2)cc2ncn(C3CCCC3)c21 ZINC000011880664 558295062 /nfs/dbraw/zinc/29/50/62/558295062.db2.gz SNAPIBBSWRZBSW-UHFFFAOYSA-N 0 0 404.514 4.884 50 0 HJAARN Cc1ccc(-c2noc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000019849746 558295304 /nfs/dbraw/zinc/29/53/04/558295304.db2.gz GOTAIPBZIBLSEC-UHFFFAOYSA-N 0 0 424.548 4.952 50 0 HJAARN O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2cn3ccsc3n2)C1 ZINC000011935389 558299493 /nfs/dbraw/zinc/29/94/93/558299493.db2.gz CCQSKSBONXKBEC-HXUWFJFHSA-N 0 0 415.518 4.798 50 0 HJAARN Cc1ccc(-n2cc(CNCc3cn4ccsc4n3)c(-c3ccc(F)cc3)n2)cc1 ZINC000011935410 558299522 /nfs/dbraw/zinc/29/95/22/558299522.db2.gz FMVCXPZUJQCPDL-UHFFFAOYSA-N 0 0 417.513 4.986 50 0 HJAARN Cc1nc2ccccn2c1CN(C)Cc1nc(-c2cc3c(cc2Cl)OCO3)oc1C ZINC000011936502 558300511 /nfs/dbraw/zinc/30/05/11/558300511.db2.gz IREQFWMSHBCYGA-UHFFFAOYSA-N 0 0 424.888 4.620 50 0 HJAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)cc1OC ZINC000019892547 558303540 /nfs/dbraw/zinc/30/35/40/558303540.db2.gz DFYUZZZPOQYICT-AUSIDOKSSA-N 0 0 421.884 4.995 50 0 HJAARN Cc1ccc(C(=O)c2ccc(NC(=O)c3ncn(-c4ccc(Cl)cc4)n3)cc2)cc1 ZINC000019910787 558306337 /nfs/dbraw/zinc/30/63/37/558306337.db2.gz KZYPIJXEHTZGPH-UHFFFAOYSA-N 0 0 416.868 4.712 50 0 HJAARN O=c1nc(Cc2ccc(Cl)cc2)[nH]c2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000019926522 558307868 /nfs/dbraw/zinc/30/78/68/558307868.db2.gz IDQDWCZGHATXNO-UHFFFAOYSA-N 0 0 421.953 4.787 50 0 HJAARN CN(C(=O)c1cc(COc2cccc3cccnc32)on1)[C@H]1CCCc2ccccc21 ZINC000012052492 558314647 /nfs/dbraw/zinc/31/46/47/558314647.db2.gz VAPNYGLPWOAPBV-QFIPXVFZSA-N 0 0 413.477 4.951 50 0 HJAARN Cc1[nH][nH]c(=O)c1C(c1ccc(-c2cccc(Cl)c2Cl)o1)c1c(C)[nH][nH]c1=O ZINC000019974229 558317363 /nfs/dbraw/zinc/31/73/63/558317363.db2.gz QWPYHFMYIZJGEN-UHFFFAOYSA-N 0 0 419.268 4.908 50 0 HJAARN O=C(NC[C@H]1Cc2cc(Cl)cc(-c3ccc4[nH]ccc4c3)c2O1)c1cccnc1 ZINC000012121916 558330745 /nfs/dbraw/zinc/33/07/45/558330745.db2.gz HRHLDVNXMXYATM-LJQANCHMSA-N 0 0 403.869 4.617 50 0 HJAARN CC(C)c1ccc(NC(=O)Cn2nc(-c3ccccc3)c3c(c2=O)CCCC3)cc1 ZINC000020095765 558331272 /nfs/dbraw/zinc/33/12/72/558331272.db2.gz VQDYJRBEONJKAT-UHFFFAOYSA-N 0 0 401.510 4.551 50 0 HJAARN CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)CCC(F)(F)F)C3)c1 ZINC000012150236 558338866 /nfs/dbraw/zinc/33/88/66/558338866.db2.gz MAJXYYKVERNTBY-MRXNPFEDSA-N 0 0 423.406 4.766 50 0 HJAARN Cc1c(C(=O)NCCc2cccnc2)sc2ncnc(N[C@H](C)c3cccs3)c12 ZINC000012151768 558339075 /nfs/dbraw/zinc/33/90/75/558339075.db2.gz LTQJGLPBCPIKLG-CQSZACIVSA-N 0 0 423.567 4.602 50 0 HJAARN COc1ccccc1NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020166741 558342779 /nfs/dbraw/zinc/34/27/79/558342779.db2.gz PUPPJPUFTOTPAU-UHFFFAOYSA-N 0 0 401.510 4.634 50 0 HJAARN O=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)C1CCN(C(=O)c2cccnc2)CC1 ZINC000012193042 558348353 /nfs/dbraw/zinc/34/83/53/558348353.db2.gz SUGHLRBRPIVBBW-UHFFFAOYSA-N 0 0 424.504 4.721 50 0 HJAARN COc1ccc(Cc2nc3ccc(C(=O)N(C)[C@H](C)c4nccs4)cc3o2)cc1 ZINC000012196307 558349560 /nfs/dbraw/zinc/34/95/60/558349560.db2.gz GHUBUQKARKVDMQ-CQSZACIVSA-N 0 0 407.495 4.717 50 0 HJAARN COc1cccc(-c2cccc(NC(=O)C3CCN(Cc4nccs4)CC3)c2)c1 ZINC000020254763 558351875 /nfs/dbraw/zinc/35/18/75/558351875.db2.gz KOXNCPRWYLIFGU-UHFFFAOYSA-N 0 0 407.539 4.669 50 0 HJAARN Cc1cc(-c2ccnc(-n3ncc(C(=O)N4CCCCCC4)c3C3CC3)n2)c(C)s1 ZINC000012217267 558354252 /nfs/dbraw/zinc/35/42/52/558354252.db2.gz AUWLRGWXXLZLPD-UHFFFAOYSA-N 0 0 421.570 4.901 50 0 HJAARN Cc1ccccc1-c1c[nH]nc1[C@H]1CCCN(C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000012242518 558360729 /nfs/dbraw/zinc/36/07/29/558360729.db2.gz DXOLHDDLZHXMOA-FQEVSTJZSA-N 0 0 411.509 4.591 50 0 HJAARN O=C(Nc1ccccc1)N1CCN(c2cc(C(F)(F)F)nc3ccccc32)CC1 ZINC000020443563 558363694 /nfs/dbraw/zinc/36/36/94/558363694.db2.gz NEKVFAVYCXJFHU-UHFFFAOYSA-N 0 0 400.404 4.608 50 0 HJAARN CCCCN(Cc1ccccc1)C(=O)CCc1nnc(Cc2c[nH]c3ccccc23)o1 ZINC000012298387 558368403 /nfs/dbraw/zinc/36/84/03/558368403.db2.gz SCWKGVPAEVJBDR-UHFFFAOYSA-N 0 0 416.525 4.903 50 0 HJAARN CC(C)c1cc(CN2CCC[C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)[nH]n1 ZINC000012302224 558371905 /nfs/dbraw/zinc/37/19/05/558371905.db2.gz ONDAFLVISSPMQQ-HXUWFJFHSA-N 0 0 416.569 4.842 50 0 HJAARN Fc1ccccc1Cc1noc(CN2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)n1 ZINC000012305132 558374070 /nfs/dbraw/zinc/37/40/70/558374070.db2.gz WAFCGMQVXUCKII-GOSISDBHSA-N 0 0 411.868 4.666 50 0 HJAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CCN(C(=O)C2=CCCC2)CC1 ZINC000020472784 558374533 /nfs/dbraw/zinc/37/45/33/558374533.db2.gz QBOGVYNEKSRUMP-UHFFFAOYSA-N 0 0 415.493 4.782 50 0 HJAARN COc1ccc(-c2nn(-c3ccccc3)cc2CN(C)Cc2nccs2)c(F)c1 ZINC000012315661 558379131 /nfs/dbraw/zinc/37/91/31/558379131.db2.gz NGSPLRUNKBKHMK-UHFFFAOYSA-N 0 0 408.502 4.776 50 0 HJAARN O=C(NC(NCC12CC3CC(CC(C3)C1)C2)(C(F)(F)F)C(F)(F)F)c1ccco1 ZINC000020494918 558379941 /nfs/dbraw/zinc/37/99/41/558379941.db2.gz GAUXMCYNOREURF-UHFFFAOYSA-N 0 0 424.385 4.636 50 0 HJAARN CCc1noc(C)c1C(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1cccc(C)n1 ZINC000012319856 558381945 /nfs/dbraw/zinc/38/19/45/558381945.db2.gz FAHVWZVJSWEDBU-HSZRJFAPSA-N 0 0 400.482 4.518 50 0 HJAARN COc1ccc(-c2cs/c(=N\c3cccc(C(F)(F)F)c3)n2CCO)cc1F ZINC000012371126 558389636 /nfs/dbraw/zinc/38/96/36/558389636.db2.gz LDZDVCRRDNLJFF-MOHJPFBDSA-N 0 0 412.408 4.608 50 0 HJAARN CSCCc1[nH]c(SCC(=O)Nc2ccc(OC(F)(F)Cl)cc2)nc1C ZINC000012372047 558389824 /nfs/dbraw/zinc/38/98/24/558389824.db2.gz BNUAEKLEAYUTAN-UHFFFAOYSA-N 0 0 421.922 4.522 50 0 HJAARN Cc1c(C)n(CCc2ccc(Cl)cc2)c(N)c1S(=O)(=O)c1ccc(F)cc1 ZINC000012372589 558390093 /nfs/dbraw/zinc/39/00/93/558390093.db2.gz CXFDACSVDNYTQZ-UHFFFAOYSA-N 0 0 406.910 4.555 50 0 HJAARN COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2c3c(nn21)nc(C)cc3C ZINC000020615640 558392579 /nfs/dbraw/zinc/39/25/79/558392579.db2.gz WORIMVNEJDGYSG-UHFFFAOYSA-N 0 0 401.253 4.655 50 0 HJAARN CCOCn1cc(NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)cn1 ZINC000020615767 558392761 /nfs/dbraw/zinc/39/27/61/558392761.db2.gz FUFHKMBQOGDNKZ-UHFFFAOYSA-N 0 0 402.498 4.749 50 0 HJAARN C[C@@H](NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1)c1ccc(-n2cccc2)cc1 ZINC000020616168 558392988 /nfs/dbraw/zinc/39/29/88/558392988.db2.gz WTMWDARWYMPCAH-GFCCVEGCSA-N 0 0 418.444 4.935 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2C)n(C)n1 ZINC000020616472 558393281 /nfs/dbraw/zinc/39/32/81/558393281.db2.gz BIAMAXYTCAVKBI-UHFFFAOYSA-N 0 0 417.296 4.848 50 0 HJAARN O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc2noc(-c3ccccc3)c2c1 ZINC000020623945 558394688 /nfs/dbraw/zinc/39/46/88/558394688.db2.gz IVSZWCOALSNJEN-UHFFFAOYSA-N 0 0 413.477 4.579 50 0 HJAARN CC(C)c1csc(CN2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)n1 ZINC000012386287 558394998 /nfs/dbraw/zinc/39/49/98/558394998.db2.gz LVOODWXRZHHATI-KRWDZBQOSA-N 0 0 403.567 4.714 50 0 HJAARN COc1ccc(-n2ccc3c(cnc4c(-c5ccc(Cl)cc5)c(C)nn43)c2=O)cc1 ZINC000012409006 558399626 /nfs/dbraw/zinc/39/96/26/558399626.db2.gz IOOQKQLVJWZZSJ-UHFFFAOYSA-N 0 0 416.868 4.671 50 0 HJAARN CCCCC(=O)Nc1c(S(=O)(=O)c2ccc(OC)cc2)c(C)c(C)n1C(C)C ZINC000012408934 558399662 /nfs/dbraw/zinc/39/96/62/558399662.db2.gz LKGLWWSMRONSSF-UHFFFAOYSA-N 0 0 406.548 4.656 50 0 HJAARN CCCCOc1ccccc1NC(=O)Cn1c2ccccc2nc1-c1cncs1 ZINC000012410815 558400544 /nfs/dbraw/zinc/40/05/44/558400544.db2.gz XJVNVIWGMQJSBK-UHFFFAOYSA-N 0 0 406.511 4.977 50 0 HJAARN CCCCc1[nH]c(SCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)nc1C ZINC000012410918 558400546 /nfs/dbraw/zinc/40/05/46/558400546.db2.gz QKHYSZHSFSWSGN-UHFFFAOYSA-N 0 0 416.572 4.924 50 0 HJAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)C1c2ccccc2Oc2ccccc21)CC3 ZINC000020714747 558400935 /nfs/dbraw/zinc/40/09/35/558400935.db2.gz CBIQUHDZQNJFGG-UHFFFAOYSA-N 0 0 410.473 4.999 50 0 biogenic HJAARN Cc1[nH]c2ccccc2c1[C@H](C(=O)[O-])[NH+]1CCN(Cc2cccc3ccccc32)CC1 ZINC000020720784 558402672 /nfs/dbraw/zinc/40/26/72/558402672.db2.gz ZIVDXWXOKMLHEV-RUZDIDTESA-N 0 0 413.521 4.573 50 0 HJAARN CN(Cc1ccccc1)c1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1 ZINC000012419567 558403166 /nfs/dbraw/zinc/40/31/66/558403166.db2.gz QACGHDMLVLOMLC-UHFFFAOYSA-N 0 0 410.520 4.872 50 0 HJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCC2=CCCCC2)C12CCCCC2 ZINC000020734189 558407417 /nfs/dbraw/zinc/40/74/17/558407417.db2.gz LRRZHFMLFFGJCO-QHCPKHFHSA-N 0 0 424.585 4.582 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CC(=O)Nc2c(-c3ccccc3)cnn21 ZINC000020744898 558409755 /nfs/dbraw/zinc/40/97/55/558409755.db2.gz RVAZZEHVMILKQE-MRXNPFEDSA-N 0 0 400.360 4.740 50 0 HJAARN COc1ccc(CN2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)c(OC)c1OC ZINC000012438680 558410139 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O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccn2)N1Cc1ccccc1Cl ZINC000012523375 558424227 /nfs/dbraw/zinc/42/42/27/558424227.db2.gz JDCYMCWCPMWCCT-HXUWFJFHSA-N 0 0 402.837 4.587 50 0 HJAARN Cc1cc(-c2nn(-c3ccccc3F)cc2CN(C)Cc2nonc2C)c(C)s1 ZINC000020994361 558426464 /nfs/dbraw/zinc/42/64/64/558426464.db2.gz JZXWAXOPHNEXKY-UHFFFAOYSA-N 0 0 411.506 4.680 50 0 HJAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)o1 ZINC000012573151 558429923 /nfs/dbraw/zinc/42/99/23/558429923.db2.gz RXXJGFXUTDAMHJ-GOSISDBHSA-N 0 0 407.441 4.829 50 0 HJAARN CN(Cc1ccccc1Cl)C(=O)c1coc(COc2cccc3cnccc32)n1 ZINC000012575610 558430654 /nfs/dbraw/zinc/43/06/54/558430654.db2.gz VPGCPDPFIPLBLV-UHFFFAOYSA-N 0 0 407.857 4.727 50 0 HJAARN Cc1ccoc1C(=O)N1CCC[C@@H](CCC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000012582353 558432807 /nfs/dbraw/zinc/43/28/07/558432807.db2.gz VGJHIKZTRHKDLJ-HNNXBMFYSA-N 0 0 408.420 4.878 50 0 HJAARN Fc1ccc(CNc2ccc3nnc(-c4ccccc4F)n3n2)c(C(F)(F)F)c1 ZINC000072027428 558434191 /nfs/dbraw/zinc/43/41/91/558434191.db2.gz DLOWDHCLGCMANF-UHFFFAOYSA-N 0 0 405.330 4.700 50 0 HJAARN O=C(Oc1cccc(Cl)c1Cl)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000021286138 558434802 /nfs/dbraw/zinc/43/48/02/558434802.db2.gz HGOZQUCWELNNRG-UHFFFAOYSA-N 0 0 411.262 4.780 50 0 HJAARN Cc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc(C)cc3C)C2=O)s1 ZINC000021343594 558436767 /nfs/dbraw/zinc/43/67/67/558436767.db2.gz MNBITYOGTVKYMS-DEOSSOPVSA-N 0 0 405.519 4.681 50 0 HJAARN COc1ccccc1OCCn1c2ccccc2nc1NC(=O)c1ccc(C)cc1 ZINC000021364723 558437371 /nfs/dbraw/zinc/43/73/71/558437371.db2.gz VGPJIPZHEAHZPT-UHFFFAOYSA-N 0 0 401.466 4.685 50 0 HJAARN Cc1ccc(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cc1C ZINC000021441468 558438345 /nfs/dbraw/zinc/43/83/45/558438345.db2.gz HLEMWIVPCYRWPS-KRWDZBQOSA-N 0 0 408.445 4.702 50 0 HJAARN CCc1ccc(-c2csc(NC(=O)C[C@@H](NC(C)=O)c3cccs3)n2)s1 ZINC000021447972 558438628 /nfs/dbraw/zinc/43/86/28/558438628.db2.gz AQSZTSWDETXAEB-CYBMUJFWSA-N 0 0 405.570 4.702 50 0 HJAARN CSc1ncc(C(=O)Nc2ccc(-c3cn4c(n3)CCC4)cc2)n1-c1ccccc1 ZINC000012628697 558440827 /nfs/dbraw/zinc/44/08/27/558440827.db2.gz YUJPOSGGIIJFKM-UHFFFAOYSA-N 0 0 415.522 4.656 50 0 HJAARN NC(=O)c1c(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)sc2c1CCC2 ZINC000012651168 558444028 /nfs/dbraw/zinc/44/40/28/558444028.db2.gz LHNAXNQMORAXEW-PKNBQFBNSA-N 0 0 412.898 4.901 50 0 HJAARN Cc1cc([C@H]2CCCN2C(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)F)no1 ZINC000021718890 558446739 /nfs/dbraw/zinc/44/67/39/558446739.db2.gz MNCULPUWOKVWPS-GOSISDBHSA-N 0 0 423.423 4.608 50 0 HJAARN CCC[C@H](Sc1nnc(-c2cccc(OC)c2)n1-c1ccccc1)C(=O)OCC ZINC000004359064 558448279 /nfs/dbraw/zinc/44/82/79/558448279.db2.gz VXDBGXLDVBMOGO-IBGZPJMESA-N 0 0 411.527 4.767 50 0 HJAARN CN(Cc1nc(-c2ccc3c(c2)OCO3)no1)Cc1ccc(Oc2ccccc2)cc1 ZINC000012704882 558449587 /nfs/dbraw/zinc/44/95/87/558449587.db2.gz LYOUOBOULSVDAK-UHFFFAOYSA-N 0 0 415.449 4.890 50 0 HJAARN COc1ccc(CN[C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)c(Cl)c1OC ZINC000012705465 558449812 /nfs/dbraw/zinc/44/98/12/558449812.db2.gz RJBTXFXBFHBHSH-GFCCVEGCSA-N 0 0 421.875 4.980 50 0 HJAARN COc1ccc(CCNc2cc(C)nc3c(-c4ccc(F)cc4)c(C)nn32)cc1OC ZINC000021798835 558449839 /nfs/dbraw/zinc/44/98/39/558449839.db2.gz HCJZQRLQYLEHMC-UHFFFAOYSA-N 0 0 420.488 4.824 50 0 HJAARN CCn1c2ccccc2c2cc(NC(=O)CNC(=O)c3ccccc3Cl)ccc21 ZINC000021894601 558454539 /nfs/dbraw/zinc/45/45/39/558454539.db2.gz XRGOKZMPXNMGGN-UHFFFAOYSA-N 0 0 405.885 4.836 50 0 HJAARN Cc1ccc(C)c(S(=O)(=O)C2(C(=O)Nc3cccc4ccc(C)nc43)CCCC2)c1 ZINC000072090906 558457095 /nfs/dbraw/zinc/45/70/95/558457095.db2.gz KKINGLKLARFDSZ-UHFFFAOYSA-N 0 0 422.550 4.885 50 0 HJAARN O=C(N[C@H]1CCc2ccccc21)c1cc(COc2cccc(C(F)(F)F)c2)on1 ZINC000012744948 558457918 /nfs/dbraw/zinc/45/79/18/558457918.db2.gz AJZQHPSWWBWZHA-SFHVURJKSA-N 0 0 402.372 4.690 50 0 HJAARN CCn1cnnc1C1CCN(C(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)CC1 ZINC000072097607 558460312 /nfs/dbraw/zinc/46/03/12/558460312.db2.gz VTRXJSQGHGQAAL-QGZVFWFLSA-N 0 0 400.592 4.530 50 0 HJAARN CN(CC(=O)Nc1ccc(Br)cc1Cl)Cc1ccc(Cl)s1 ZINC000022062441 558460763 /nfs/dbraw/zinc/46/07/63/558460763.db2.gz HFZKBLXMGKHLLG-UHFFFAOYSA-N 0 0 408.148 4.888 50 0 HJAARN CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)c1 ZINC000005241327 558461149 /nfs/dbraw/zinc/46/11/49/558461149.db2.gz HRPPYNXBEYAXMZ-UHFFFAOYSA-N 0 0 414.552 4.781 50 0 HJAARN COc1cc(C(=O)N2CC[C@@H](C)Sc3ccccc32)cc(OC)c1Br ZINC000012793381 558467079 /nfs/dbraw/zinc/46/70/79/558467079.db2.gz UDTFMEPDVSAZBV-GFCCVEGCSA-N 0 0 422.344 4.997 50 0 HJAARN COc1ccccc1-c1noc(CSc2nc(C(F)(F)F)nc3ccccc32)n1 ZINC000022249041 558472869 /nfs/dbraw/zinc/47/28/69/558472869.db2.gz JGBHFUJIINBIPC-UHFFFAOYSA-N 0 0 418.400 5.000 50 0 HJAARN COc1ccccc1C(=O)COC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000012805473 558473522 /nfs/dbraw/zinc/47/35/22/558473522.db2.gz HPLQYDQIHIZGRR-HOTGVXAUSA-N 0 0 407.491 4.781 50 0 HJAARN COc1ccc(-c2nc(C)c(CCNC(=O)c3cccc(Cl)c3)s2)cc1OC ZINC000004392512 558485308 /nfs/dbraw/zinc/48/53/08/558485308.db2.gz LXNMKIXZXDHYQE-UHFFFAOYSA-N 0 0 416.930 4.762 50 0 HJAARN CN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(COCC(F)(F)F)cc1 ZINC000022431694 558489267 /nfs/dbraw/zinc/48/92/67/558489267.db2.gz CVXQGIIZIZEENO-UHFFFAOYSA-N 0 0 406.857 4.822 50 0 HJAARN COc1ccc(C(C)=O)cc1CSc1ccccc1C(=O)OCC(=O)C(C)(C)C ZINC000012976494 558491802 /nfs/dbraw/zinc/49/18/02/558491802.db2.gz IOKBORMHKRICAF-UHFFFAOYSA-N 0 0 414.523 4.962 50 0 HJAARN CC(=O)c1ccc(NC(=O)CNc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 ZINC000010844647 558492286 /nfs/dbraw/zinc/49/22/86/558492286.db2.gz LQEUGIRKSFYAMH-UHFFFAOYSA-N 0 0 405.420 4.559 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)Cc1csc(COc2ccc(C)cc2)n1 ZINC000012979187 558492758 /nfs/dbraw/zinc/49/27/58/558492758.db2.gz UFOYWNDOEWVWSU-UHFFFAOYSA-N 0 0 402.903 4.874 50 0 HJAARN O=C(COc1ccc(Br)cc1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000012981709 558493632 /nfs/dbraw/zinc/49/36/32/558493632.db2.gz ZICKOYFPTBYZQK-LJQANCHMSA-N 0 0 420.303 4.934 50 0 HJAARN COc1ccc(C(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc3nccnc3c2)cc1 ZINC000012981276 558493641 /nfs/dbraw/zinc/49/36/41/558493641.db2.gz WTVBWLNRYGUMJA-XMMPIXPASA-N 0 0 408.461 4.630 50 0 HJAARN Cc1ccccc1-c1noc(Cn2cnc3scc(-c4ccccc4)c3c2=O)n1 ZINC000012993547 558497409 /nfs/dbraw/zinc/49/74/09/558497409.db2.gz QXWZRQSBZJZBKW-UHFFFAOYSA-N 0 0 400.463 4.532 50 0 HJAARN COc1ccc(NC(C)=O)cc1NC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000013000733 558500245 /nfs/dbraw/zinc/50/02/45/558500245.db2.gz UCJKZZIRHWJUTP-UHFFFAOYSA-N 0 0 415.902 4.612 50 0 HJAARN COc1ccc([C@H]2CCCN2C(=O)c2cccc(NC(=O)C(C)(C)C)c2)c(OC)c1 ZINC000013022272 558504599 /nfs/dbraw/zinc/50/45/99/558504599.db2.gz PNUZABVJJIFAMH-HXUWFJFHSA-N 0 0 410.514 4.666 50 0 HJAARN Cc1nc2sc3c(c2c(NC[C@H](c2c(F)cccc2Cl)N(C)C)n1)CCC3 ZINC000013040023 558506589 /nfs/dbraw/zinc/50/65/89/558506589.db2.gz RWGWHSBAODFTEA-OAHLLOKOSA-N 0 0 404.942 4.996 50 0 HJAARN CC(C)(C)c1ccc([C@]2(C)NC(=O)N(Cc3ncc(-c4ccccc4)o3)C2=O)cc1 ZINC000013042336 558508179 /nfs/dbraw/zinc/50/81/79/558508179.db2.gz MTGPFYHPSBAFPW-DEOSSOPVSA-N 0 0 403.482 4.606 50 0 HJAARN Cc1cccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c1C ZINC000013070318 558511182 /nfs/dbraw/zinc/51/11/82/558511182.db2.gz CBFHCCJNPQATRI-CQSZACIVSA-N 0 0 408.329 4.508 50 0 HJAARN COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2S[C@@H](C)C(C)=O)cc1Cl ZINC000013101649 558514429 /nfs/dbraw/zinc/51/44/29/558514429.db2.gz FOQMOQOFJUGZKE-SEJMYLSOSA-N 0 0 420.943 4.865 50 0 HJAARN O=C(CSc1nnc(-c2ccccc2Br)o1)c1ccc(F)c(F)c1 ZINC000013112457 558515595 /nfs/dbraw/zinc/51/55/95/558515595.db2.gz SOPIWPJQKCMHSX-UHFFFAOYSA-N 0 0 411.227 4.752 50 0 HJAARN Cc1sc2nc(C)nc(SCc3nc(N)nc(Nc4ccccc4C)n3)c2c1C ZINC000013113272 558515851 /nfs/dbraw/zinc/51/58/51/558515851.db2.gz RGOPVXLXBIYEGY-UHFFFAOYSA-N 0 0 423.571 4.728 50 0 HJAARN CCOC(=O)/C=C/c1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000022893679 558518868 /nfs/dbraw/zinc/51/88/68/558518868.db2.gz YOHDPKMHCDOWCH-LICLKQGHSA-N 0 0 414.461 4.768 50 0 HJAARN Cc1sc(NC(=O)C(C)(C)C)c(C(=O)OCc2noc(-c3ccsc3)n2)c1C ZINC000022894180 558519140 /nfs/dbraw/zinc/51/91/40/558519140.db2.gz GCGBVNTUNHTKRX-UHFFFAOYSA-N 0 0 419.528 4.818 50 0 HJAARN COc1ccc([C@H]2Nn3c(nnc3C(C)(C)C)S[C@@H]2C(=O)c2ccc(C)cc2)cc1 ZINC000013150372 558523847 /nfs/dbraw/zinc/52/38/47/558523847.db2.gz BTMRSCOHDHNIBH-QUCCMNQESA-N 0 0 422.554 4.535 50 0 HJAARN CCc1cccc(CC)c1NC(=O)CN1CCN(Cc2csc3ccccc23)CC1 ZINC000022930294 558523937 /nfs/dbraw/zinc/52/39/37/558523937.db2.gz AZHIWAPAIMARES-UHFFFAOYSA-N 0 0 421.610 4.782 50 0 HJAARN Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCN(Cc2csc3ccccc23)CC1 ZINC000022930196 558523986 /nfs/dbraw/zinc/52/39/86/558523986.db2.gz ONJLTHVMQITBMR-LJQANCHMSA-N 0 0 407.583 4.663 50 0 HJAARN COc1cc(NC(=O)c2c(C)onc2-c2ccccc2Cl)cc(OC)c1OC ZINC000013326058 558530141 /nfs/dbraw/zinc/53/01/41/558530141.db2.gz YAIMXFCGJVPIMJ-UHFFFAOYSA-N 0 0 402.834 4.582 50 0 HJAARN CCOC(=O)c1sc(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1C ZINC000023038961 558531119 /nfs/dbraw/zinc/53/11/19/558531119.db2.gz BCHHPHWDVVFJBA-UHFFFAOYSA-N 0 0 412.467 4.639 50 0 HJAARN CC(C)COC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)OCC(C)C ZINC000013511436 558535550 /nfs/dbraw/zinc/53/55/50/558535550.db2.gz RKFQXNUDFLXOKP-ULBZPVTCSA-N 0 0 406.522 4.908 50 0 HJAARN O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cc(=O)[nH]c2ccccc21 ZINC000013513928 558536171 /nfs/dbraw/zinc/53/61/71/558536171.db2.gz MMOSPRZIQMTBGN-QHCPKHFHSA-N 0 0 417.848 4.963 50 0 HJAARN O=C(COc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O)Nc1nccs1 ZINC000013552320 558539340 /nfs/dbraw/zinc/53/93/40/558539340.db2.gz VRIHVYWFQVOJDZ-UHFFFAOYSA-N 0 0 412.854 4.587 50 0 HJAARN O=C(Nc1nc2ccccc2[nH]1)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F ZINC000023190755 558541883 /nfs/dbraw/zinc/54/18/83/558541883.db2.gz MJQMFFQDSYONIQ-UHFFFAOYSA-N 0 0 405.767 4.673 50 0 HJAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NCc1csc(-c2ccccc2)n1 ZINC000010893845 558543101 /nfs/dbraw/zinc/54/31/01/558543101.db2.gz MJTJUTKHGLKAMI-UHFFFAOYSA-N 0 0 417.538 4.943 50 0 HJAARN Cc1ccc2cc(COC(=O)C3CCN(C(=O)C(C)(C)C)CC3)c(Cl)nc2c1C ZINC000023266432 558547145 /nfs/dbraw/zinc/54/71/45/558547145.db2.gz TWLBOMLUJHJBKA-UHFFFAOYSA-N 0 0 416.949 4.833 50 0 HJAARN Cc1noc(-c2ccc(OC(F)(F)F)cc2)c1C(=O)NCc1cccc(F)c1F ZINC000023324764 558549304 /nfs/dbraw/zinc/54/93/04/558549304.db2.gz FAMRPGPNHPIACG-UHFFFAOYSA-N 0 0 412.314 4.757 50 0 HJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)CC(C)C)c2)n(-c2ccccc2F)n1 ZINC000023334718 558549720 /nfs/dbraw/zinc/54/97/20/558549720.db2.gz MGZZZZQPXAJIMQ-UHFFFAOYSA-N 0 0 409.461 4.840 50 0 HJAARN Cc1nn(C)c(Cl)c1CN1CCc2c3ccccc3[nH]c2[C@H]1c1cccc(O)c1 ZINC000023337755 558549989 /nfs/dbraw/zinc/54/99/89/558549989.db2.gz OKZIWXPBJYCNCC-JOCHJYFZSA-N 0 0 406.917 4.717 50 0 HJAARN CC(=O)c1sc(NC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)nc1C ZINC000013624182 558550577 /nfs/dbraw/zinc/55/05/77/558550577.db2.gz BNGWQYOIIOQXDP-UHFFFAOYSA-N 0 0 424.478 4.695 50 0 HJAARN COC(=O)c1cc(-c2ccccc2)nc2c3c(nn21)nc(C(F)(F)F)cc3C1CC1 ZINC000013645665 558556660 /nfs/dbraw/zinc/55/66/60/558556660.db2.gz DLXIAZRBEIJOKD-UHFFFAOYSA-N 0 0 412.371 4.627 50 0 HJAARN Brc1ccc(-c2nnc3sc(-c4ccc5ccccc5n4)nn32)cc1 ZINC000013655601 558558777 /nfs/dbraw/zinc/55/87/77/558558777.db2.gz DIKZSFDHXFWVRN-UHFFFAOYSA-N 0 0 408.284 4.831 50 0 HJAARN Cc1cccc(CN2CCN(C3CCN(C(=O)Nc4ccc(C)cc4C)CC3)C2=O)c1 ZINC000064989046 558559909 /nfs/dbraw/zinc/55/99/09/558559909.db2.gz RMQGFHZPDXHATG-UHFFFAOYSA-N 0 0 420.557 4.546 50 0 HJAARN Cc1ccc(CSc2nnc(NC(=O)c3cncc(Br)c3)s2)cc1 ZINC000023505380 558560233 /nfs/dbraw/zinc/56/02/33/558560233.db2.gz YKFCWFMHQBICTJ-UHFFFAOYSA-N 0 0 421.345 4.549 50 0 HJAARN COc1ccc(C)cc1C(=O)CCC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000023500078 558560261 /nfs/dbraw/zinc/56/02/61/558560261.db2.gz MJECQBRAEUUTGX-UHFFFAOYSA-N 0 0 422.550 4.982 50 0 HJAARN Cc1c2ccccc2oc1C(=O)COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000023585754 558562866 /nfs/dbraw/zinc/56/28/66/558562866.db2.gz PYMYLZBNQQDGMI-UHFFFAOYSA-N 0 0 417.417 4.935 50 0 HJAARN C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000023873051 558578906 /nfs/dbraw/zinc/57/89/06/558578906.db2.gz VNGUSSDYXGOPJD-CPJSRVTESA-N 0 0 400.522 4.545 50 0 HJAARN O=c1[nH]c(CN2CCCC[C@@H]2c2nc3ccccc3s2)nc2cc(Cl)ccc12 ZINC000023908566 558581052 /nfs/dbraw/zinc/58/10/52/558581052.db2.gz YMMNNCGYLMWISD-QGZVFWFLSA-N 0 0 410.930 4.913 50 0 HJAARN O=C(CCCOc1ccc(Cl)cc1Cl)NCc1nc(-c2cccs2)no1 ZINC000013720000 558581206 /nfs/dbraw/zinc/58/12/06/558581206.db2.gz DRNXHLMBVFHQKP-UHFFFAOYSA-N 0 0 412.298 4.580 50 0 HJAARN CCCOc1ccc2ccccc2c1CN(C)C(=O)CSc1nc(C)cc(C)n1 ZINC000023929113 558581680 /nfs/dbraw/zinc/58/16/80/558581680.db2.gz RVPUCJSBBUNRKN-UHFFFAOYSA-N 0 0 409.555 4.786 50 0 HJAARN CCN(Cc1ccccc1)C(=O)CSc1nc2ccccc2c(=O)n1CCC(C)C ZINC000023949313 558582205 /nfs/dbraw/zinc/58/22/05/558582205.db2.gz LANRWKQTHKEOEG-UHFFFAOYSA-N 0 0 423.582 4.583 50 0 HJAARN Brc1ccccc1-c1nn2c(nnc2-c2ccc3ccccc3n2)s1 ZINC000013728904 558585691 /nfs/dbraw/zinc/58/56/91/558585691.db2.gz CDCAXPXGGIFMTP-UHFFFAOYSA-N 0 0 408.284 4.831 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1CCc1nnc2sc(-c3cccs3)nn12 ZINC000013736156 558588637 /nfs/dbraw/zinc/58/86/37/558588637.db2.gz VRXDESYRUKHYMP-UHFFFAOYSA-N 0 0 406.540 4.502 50 0 HJAARN COCCCn1c(C)cc(C(=O)CSc2nc(C3CC3)nc3ccccc32)c1C ZINC000010943905 558595514 /nfs/dbraw/zinc/59/55/14/558595514.db2.gz LBYVLKDIKPVZRV-UHFFFAOYSA-N 0 0 409.555 4.937 50 0 HJAARN COCCN(Cc1cccs1)S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000024366714 558596299 /nfs/dbraw/zinc/59/62/99/558596299.db2.gz LCIDMOILIBMBTP-UHFFFAOYSA-N 0 0 408.372 4.509 50 0 HJAARN COc1ccc(-c2nnc(SCC(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)o2)cc1 ZINC000004475402 558599834 /nfs/dbraw/zinc/59/98/34/558599834.db2.gz RKIUBYAZWFCVKE-FHLIZLRMSA-N 0 0 404.532 4.841 50 0 HJAARN CC[C@@H](C)Nc1nnc(S[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)s1 ZINC000032777509 558600742 /nfs/dbraw/zinc/60/07/42/558600742.db2.gz CQEPZPFCKZIYIR-CABCVRRESA-N 0 0 419.620 4.858 50 0 HJAARN COc1cc(CN(C)C(=O)Cc2c(C)[nH]c3ccc(C)cc32)ccc1OC(F)F ZINC000024540370 558600739 /nfs/dbraw/zinc/60/07/39/558600739.db2.gz IZVZRKKJQQEZIM-UHFFFAOYSA-N 0 0 402.441 4.596 50 0 HJAARN O=C(c1cccnc1OCC(F)(F)F)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000024552505 558601058 /nfs/dbraw/zinc/60/10/58/558601058.db2.gz POSNDOFXSDRPLD-ZDUSSCGKSA-N 0 0 421.444 4.652 50 0 HJAARN CCOc1ccc(-c2noc(CCCC(=O)Nc3ccc(Cl)cc3)n2)cc1OC ZINC000004488184 558601122 /nfs/dbraw/zinc/60/11/22/558601122.db2.gz HNAOVEUEXMTQMB-UHFFFAOYSA-N 0 0 415.877 4.759 50 0 HJAARN CCOC(=O)[C@H](c1ccc(Cl)cc1)N(CC)Cc1nc(-c2cccs2)no1 ZINC000024572846 558601421 /nfs/dbraw/zinc/60/14/21/558601421.db2.gz IAKNXGIXTUITFT-KRWDZBQOSA-N 0 0 405.907 4.578 50 0 HJAARN CC(C)=C[C@@H]1[C@H](C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1(C)C ZINC000024602161 558602468 /nfs/dbraw/zinc/60/24/68/558602468.db2.gz VFPGQEPIQSGMFQ-GDBMZVCRSA-N 0 0 415.887 4.641 50 0 HJAARN Cc1nc(S[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)[nH]c1Cc1ccccc1 ZINC000004485580 558603736 /nfs/dbraw/zinc/60/37/36/558603736.db2.gz LUDSNEQOTQRPGV-LBPRGKRZSA-N 0 0 405.445 4.846 50 0 HJAARN Cc1ccc(C(=O)c2cc3c(cc2NC(=O)c2ccc(Cl)cc2)OCCO3)cc1 ZINC000013945506 558606924 /nfs/dbraw/zinc/60/69/24/558606924.db2.gz FWZMZUILWPNWEA-UHFFFAOYSA-N 0 0 407.853 4.903 50 0 HJAARN COc1cc(CN(C)C(=O)COc2ccc(-c3ccccc3)cc2Cl)ccc1O ZINC000024745570 558609470 /nfs/dbraw/zinc/60/94/70/558609470.db2.gz CLBUKWGZSDOHHI-UHFFFAOYSA-N 0 0 411.885 4.759 50 0 HJAARN O=C(Nc1ccccc1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F ZINC000024746601 558609482 /nfs/dbraw/zinc/60/94/82/558609482.db2.gz ZIRPBWPFVZYCNE-UHFFFAOYSA-N 0 0 400.282 4.557 50 0 HJAARN Cc1cccc(OCCSc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)c1 ZINC000004490721 558609609 /nfs/dbraw/zinc/60/96/09/558609609.db2.gz BQTKSNDBCQIXQU-MRXNPFEDSA-N 0 0 400.523 4.509 50 0 HJAARN Cc1cc(=O)c(C(=O)N(Cc2ccco2)c2ccccc2)nn1-c1ccc(Cl)cc1 ZINC000024754869 558610247 /nfs/dbraw/zinc/61/02/47/558610247.db2.gz DIHLMXIUQNGPJR-UHFFFAOYSA-N 0 0 419.868 4.634 50 0 HJAARN COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1OC ZINC000024764594 558611230 /nfs/dbraw/zinc/61/12/30/558611230.db2.gz HZFVKJITNWIPIM-INIZCTEOSA-N 0 0 416.326 4.536 50 0 HJAARN COc1cn(-c2ccccc2)nc1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000014015012 558613691 /nfs/dbraw/zinc/61/36/91/558613691.db2.gz CJIJLGOUFVTEPW-UHFFFAOYSA-N 0 0 410.886 4.910 50 0 HJAARN CNC(=O)c1ccc(CN(Cc2nc3ccccc3c(-c3ccccc3)n2)C2CC2)cc1 ZINC000024828596 558614074 /nfs/dbraw/zinc/61/40/74/558614074.db2.gz PNZSRXBRAMOENE-UHFFFAOYSA-N 0 0 422.532 4.821 50 0 HJAARN C[C@H]1CCc2nc(NC(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)sc2C1 ZINC000024832048 558615044 /nfs/dbraw/zinc/61/50/44/558615044.db2.gz YRSNOQLVWQRFSK-JTQLQIEISA-N 0 0 424.423 4.864 50 0 HJAARN COC(=O)c1cc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)c(F)cc1F ZINC000024832124 558615064 /nfs/dbraw/zinc/61/50/64/558615064.db2.gz DKTUMJSVTKYIIV-UHFFFAOYSA-N 0 0 422.840 4.710 50 0 HJAARN Cc1cc(C(=O)N[C@H](C)c2ccccc2Br)c2cnn(C(C)C)c2n1 ZINC000010965771 558618440 /nfs/dbraw/zinc/61/84/40/558618440.db2.gz XLQYJZSMYLWGHR-CYBMUJFWSA-N 0 0 401.308 4.574 50 0 HJAARN CCCCN1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2OC)CC1=O ZINC000014095085 558619733 /nfs/dbraw/zinc/61/97/33/558619733.db2.gz IJFWNUOAMPEULN-IBGZPJMESA-N 0 0 421.541 4.630 50 0 HJAARN Cc1cccc(OCCC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c1C ZINC000024934859 558621619 /nfs/dbraw/zinc/62/16/19/558621619.db2.gz MDKXXANSIQCONI-QFIPXVFZSA-N 0 0 403.526 4.511 50 0 HJAARN Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2cc(F)c(F)c(F)c2F)cc1 ZINC000014117567 558621737 /nfs/dbraw/zinc/62/17/37/558621737.db2.gz BKTZKVZOOVTKGZ-UHFFFAOYSA-N 0 0 416.374 4.734 50 0 HJAARN Cc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)Nc4ccccc4)cc3)nc21 ZINC000024978007 558623782 /nfs/dbraw/zinc/62/37/82/558623782.db2.gz CDQOJYRDJLIXPR-UHFFFAOYSA-N 0 0 423.519 4.658 50 0 HJAARN CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000014164579 558626585 /nfs/dbraw/zinc/62/65/85/558626585.db2.gz LGHOXNHJTCBGDN-ZDUSSCGKSA-N 0 0 424.328 4.733 50 0 HJAARN COc1ccccc1[C@@H](C)NC(=O)COc1ccc(C2SCCCS2)cc1 ZINC000014182020 558628535 /nfs/dbraw/zinc/62/85/35/558628535.db2.gz LMACZFGUJSFKJG-OAHLLOKOSA-N 0 0 403.569 4.820 50 0 HJAARN O=C(Nc1ccc(N2CCCCC2)nc1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000025064503 558629935 /nfs/dbraw/zinc/62/99/35/558629935.db2.gz REXNMUQDIQCKTJ-UHFFFAOYSA-N 0 0 409.493 4.934 50 0 HJAARN COc1ccc(OC)c([C@@H]2CCCN2Cn2nc(-c3cccc(C)c3)n(C)c2=S)c1 ZINC000014185879 558630760 /nfs/dbraw/zinc/63/07/60/558630760.db2.gz SBODZJISCUCEIZ-FQEVSTJZSA-N 0 0 424.570 4.738 50 0 HJAARN Cc1ccccc1-n1cnnc1SC[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000025093218 558631304 /nfs/dbraw/zinc/63/13/04/558631304.db2.gz HRWIATNXHGEANV-GOSISDBHSA-N 0 0 414.534 4.837 50 0 HJAARN CCCc1nc(Sc2nc(CN3CCC(C)CC3)nc3sc(C)c(C)c32)n[nH]1 ZINC000025152057 558632937 /nfs/dbraw/zinc/63/29/37/558632937.db2.gz WLGBITMLEKEATL-UHFFFAOYSA-N 0 0 416.620 4.762 50 0 HJAARN CC(C)n1ncc2cc(NC(=O)C3C[C@H]4CC[C@@H](C3)C43SCCS3)cnc21 ZINC000014197221 558634026 /nfs/dbraw/zinc/63/40/26/558634026.db2.gz RMOPHFORYIXPHG-VHRNVKJDSA-N 0 0 402.589 4.563 50 0 HJAARN Oc1ccccc1N1CCN(Cn2c3ccccc3n(-c3ccccc3)c2=S)CC1 ZINC000025227748 558635079 /nfs/dbraw/zinc/63/50/79/558635079.db2.gz GKMHDGKAFQRHPG-UHFFFAOYSA-N 0 0 416.550 4.647 50 0 HJAARN COc1cc2ccccc2cc1C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000014202171 558637356 /nfs/dbraw/zinc/63/73/56/558637356.db2.gz GQDGMNMUZMTRNY-UHFFFAOYSA-N 0 0 400.931 4.521 50 0 HJAARN CCn1c(SCC(=O)Nc2ccccc2SC)nnc1-c1ccccc1F ZINC000004519834 558638358 /nfs/dbraw/zinc/63/83/58/558638358.db2.gz MLFWUMPQYUVNEP-UHFFFAOYSA-N 0 0 402.520 4.557 50 0 HJAARN Fc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1F ZINC000025329579 558638468 /nfs/dbraw/zinc/63/84/68/558638468.db2.gz NQCJREXFLPZYPG-HYBUGGRVSA-N 0 0 420.415 4.978 50 0 HJAARN C[C@@H](NC(=O)c1oc2ccccc2c1CSc1nc[nH]n1)c1ccc(F)cc1F ZINC000014232245 558640268 /nfs/dbraw/zinc/64/02/68/558640268.db2.gz PUWYYDYUNRRFQQ-LLVKDONJSA-N 0 0 414.437 4.612 50 0 HJAARN CS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000004517724 558640745 /nfs/dbraw/zinc/64/07/45/558640745.db2.gz AGZIMUGZOBTGRW-UHFFFAOYSA-N 0 0 408.504 4.619 50 0 HJAARN Cc1ccc(C(C)C)c(OCC(=O)N(Cc2nnc(-c3ccccc3)o2)C(C)C)c1 ZINC000014236199 558641445 /nfs/dbraw/zinc/64/14/45/558641445.db2.gz WUQIYVMFFRQKDM-UHFFFAOYSA-N 0 0 407.514 4.984 50 0 HJAARN COc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2cccc(C)c2)cc1 ZINC000004518118 558641526 /nfs/dbraw/zinc/64/15/26/558641526.db2.gz VRJCREFMIHKMQT-UHFFFAOYSA-N 0 0 405.502 4.560 50 0 HJAARN CN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000025461241 558641709 /nfs/dbraw/zinc/64/17/09/558641709.db2.gz ZJZIUGBPCYRGNC-UHFFFAOYSA-N 0 0 416.405 4.599 50 0 HJAARN CCc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2cccc(OC)c2)cc1 ZINC000004518151 558641708 /nfs/dbraw/zinc/64/17/08/558641708.db2.gz ILYVFEKJIWYNSV-UHFFFAOYSA-N 0 0 419.529 4.814 50 0 HJAARN O=C(CCNC(=O)c1ccccc1Cl)O[C@H](c1cc(F)cc(F)c1)C(F)(F)F ZINC000014241882 558644472 /nfs/dbraw/zinc/64/44/72/558644472.db2.gz POGTYOKRLOFHJA-MRXNPFEDSA-N 0 0 421.749 4.585 50 0 HJAARN CC(C)N(C(=O)CSc1nnc(C2CCCCC2)n1-n1cccc1)c1ccccc1 ZINC000004518686 558645544 /nfs/dbraw/zinc/64/55/44/558645544.db2.gz LZXUMXTWJMWEFZ-UHFFFAOYSA-N 0 0 423.586 4.972 50 0 HJAARN Cc1sc(NC(=O)c2ccccc2SCC(N)=O)nc1-c1ccc(Cl)cc1 ZINC000014246895 558647955 /nfs/dbraw/zinc/64/79/55/558647955.db2.gz LXVVZVDKSXKFEN-UHFFFAOYSA-N 0 0 417.943 4.602 50 0 HJAARN CC(C)(C)c1ccc(C(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccccc2)cc1 ZINC000004518978 558648179 /nfs/dbraw/zinc/64/81/79/558648179.db2.gz TVUGMYCFPCAZNU-NRFANRHFSA-N 0 0 411.523 4.522 50 0 HJAARN Fc1ccccc1[C@H]1C2=C(N=C3N=CNN31)c1ccccc1O[C@@H]2c1cccs1 ZINC000025783654 558650117 /nfs/dbraw/zinc/65/01/17/558650117.db2.gz RFEFCBMGQFGPPN-LEWJYISDSA-N 0 0 402.454 4.691 50 0 HJAARN COC[C@@H](C)n1c(COc2ccccc2F)nn(CN2[C@H](C)CCC[C@@H]2C)c1=S ZINC000014359278 558653059 /nfs/dbraw/zinc/65/30/59/558653059.db2.gz PVOVWDJZOPIROK-IXDOHACOSA-N 0 0 422.570 4.560 50 0 HJAARN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cc(=O)[nH]c2ccccc21 ZINC000014361547 558653378 /nfs/dbraw/zinc/65/33/78/558653378.db2.gz ARJSVXXKSBCYQD-UHFFFAOYSA-N 0 0 411.177 4.562 50 0 HJAARN O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000026016091 558653584 /nfs/dbraw/zinc/65/35/84/558653584.db2.gz YTUSJTKDMRPULQ-FQEVSTJZSA-N 0 0 408.841 4.861 50 0 HJAARN CC(=O)N[C@H](C)c1ccc(C(=O)CSc2nccn2-c2cc(C)cc(C)c2)cc1 ZINC000026046050 558654243 /nfs/dbraw/zinc/65/42/43/558654243.db2.gz VTURYYZVDRRICT-QGZVFWFLSA-N 0 0 407.539 4.661 50 0 HJAARN C/C(=C/c1ccccc1)[C@@H]1Nc2sc3c(c2C(=O)N1)CCN(Cc1ccccc1)C3 ZINC000004544039 558664119 /nfs/dbraw/zinc/66/41/19/558664119.db2.gz ZBSFCAUVBMSGLK-OKRNDORHSA-N 0 0 415.562 4.891 50 0 HJAARN Cc1nc(COc2ccccc2C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)no1 ZINC000014706660 558664457 /nfs/dbraw/zinc/66/44/57/558664457.db2.gz DKCNFSFSHBNSJF-UHFFFAOYSA-N 0 0 406.269 4.536 50 0 HJAARN Cc1ccc(Nc2nc(N)nc(CSCc3coc(-c4cccs4)n3)n2)cc1 ZINC000027195986 558670888 /nfs/dbraw/zinc/67/08/88/558670888.db2.gz ZYVYFFVNIMXNEN-UHFFFAOYSA-N 0 0 410.528 4.656 50 0 HJAARN CCCOc1ccc(C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)cc1OC ZINC000004549388 558673160 /nfs/dbraw/zinc/67/31/60/558673160.db2.gz CRNOFTPDHOIVII-UHFFFAOYSA-N 0 0 419.477 4.947 50 0 HJAARN Fc1ccc(-n2ncc3c2ncnc3SCc2coc(-c3ccccc3)n2)cc1 ZINC000014803956 558673545 /nfs/dbraw/zinc/67/35/45/558673545.db2.gz MMSFPEGODRWFIZ-UHFFFAOYSA-N 0 0 403.442 4.902 50 0 HJAARN CC[C@@H](Nc1ncnc2sc(C(=O)NCc3ccccn3)c(C)c21)c1cccs1 ZINC000014887666 558677837 /nfs/dbraw/zinc/67/78/37/558677837.db2.gz OXHFBLLEFHJJMB-OAHLLOKOSA-N 0 0 423.567 4.949 50 0 HJAARN C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000027680465 558680231 /nfs/dbraw/zinc/68/02/31/558680231.db2.gz NCZYJLQBDKPFQF-GOSISDBHSA-N 0 0 410.477 4.616 50 0 HJAARN COc1ccc(-c2nn(-c3ccccc3)cc2CN(C)[C@@H](C)c2ccncn2)c(F)c1 ZINC000014949944 558680796 /nfs/dbraw/zinc/68/07/96/558680796.db2.gz BARVMRFHECJHLF-KRWDZBQOSA-N 0 0 417.488 4.670 50 0 HJAARN Cc1nnc(SCC(=O)N2CCc3c4ccccc4[nH]c3[C@H]2C(C)(C)C)s1 ZINC000014954363 558681907 /nfs/dbraw/zinc/68/19/07/558681907.db2.gz SFEPNTWNIZFOFC-SFHVURJKSA-N 0 0 400.573 4.592 50 0 HJAARN COc1ccc(-c2nc(CN(C)[C@H](C)c3ccc4c(c3)OCCO4)c(C)o2)c(OC)c1 ZINC000014957151 558682742 /nfs/dbraw/zinc/68/27/42/558682742.db2.gz DMFDXQYHMJNTHQ-OAHLLOKOSA-N 0 0 424.497 4.631 50 0 HJAARN O=C(Nc1ccc(Oc2ccccc2F)cc1)[C@H]1CCCCN1C(=O)c1ccccn1 ZINC000014962598 558684487 /nfs/dbraw/zinc/68/44/87/558684487.db2.gz GHBHHBGNSWBHNV-OAQYLSRUSA-N 0 0 419.456 4.646 50 0 HJAARN Cc1c(C(=O)N[C@H](C)c2ccc(F)cc2)sc2ncnc(NCc3ccco3)c12 ZINC000014963411 558684781 /nfs/dbraw/zinc/68/47/81/558684781.db2.gz BSGKEYXTAICKJU-CYBMUJFWSA-N 0 0 410.474 4.835 50 0 HJAARN Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 ZINC000014964268 558685110 /nfs/dbraw/zinc/68/51/10/558685110.db2.gz AWILBPHOVZFOQJ-GFCCVEGCSA-N 0 0 408.889 4.903 50 0 HJAARN CSc1ncccc1C(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1C ZINC000014967591 558686353 /nfs/dbraw/zinc/68/63/53/558686353.db2.gz WLDWULCEHIHHCO-SFHVURJKSA-N 0 0 406.555 4.741 50 0 HJAARN CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 ZINC000028189581 558692068 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CCN(CC)C(=O)C(=O)c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12 ZINC000036646349 558800857 /nfs/dbraw/zinc/80/08/57/558800857.db2.gz ADJSYARSGHQDLH-UHFFFAOYSA-N 0 0 402.416 4.760 50 0 HJAARN C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1cccs1)c1ccc(-c2ccccc2)cc1 ZINC000032978410 558803598 /nfs/dbraw/zinc/80/35/98/558803598.db2.gz LXZGZRNLLNWZOX-DYESRHJHSA-N 0 0 404.535 4.897 50 0 HJAARN CCOP(=O)(OCC)c1nc(-c2ccc(C)cc2)oc1NCc1cccnc1 ZINC000016749679 558804451 /nfs/dbraw/zinc/80/44/51/558804451.db2.gz ACUOYXZHZKBHKX-UHFFFAOYSA-N 0 0 401.403 4.549 50 0 HJAARN Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccc(Cl)cc2)O3)o1 ZINC000032983567 558805197 /nfs/dbraw/zinc/80/51/97/558805197.db2.gz SBZYQZNWRDSDFO-JMIUGGIZSA-N 0 0 408.841 4.543 50 0 HJAARN COP(=O)(OC)c1nc(Cc2cccc3ccccc32)oc1NCc1ccco1 ZINC000016752744 558805321 /nfs/dbraw/zinc/80/53/21/558805321.db2.gz DLRPFLCKXMERPZ-UHFFFAOYSA-N 0 0 412.382 4.735 50 0 HJAARN Cc1ccc(C)c(CN2[C@H](c3ccc(F)c(F)c3)Nc3ccccc3S2(=O)=O)c1 ZINC000032986796 558806792 /nfs/dbraw/zinc/80/67/92/558806792.db2.gz OXCUEPPKYRSOBI-JOCHJYFZSA-N 0 0 414.477 4.897 50 0 HJAARN O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN=C1Cc1cccc2ccccc21 ZINC000016780474 558806839 /nfs/dbraw/zinc/80/68/39/558806839.db2.gz JCNZMLUWPDWMQJ-UHFFFAOYSA-N 0 0 419.333 4.792 50 0 HJAARN Cc1ccccc1NC(=O)CSc1nc2c(-c3ccccc3)csc2c(=O)n1C ZINC000016844914 558808443 /nfs/dbraw/zinc/80/84/43/558808443.db2.gz UYJYNGYLWOLGMC-UHFFFAOYSA-N 0 0 421.547 4.701 50 0 HJAARN CCCn1nc(NC(=O)c2ccc(OCC)cc2)c2cc3cc(OC)ccc3nc21 ZINC000016956576 558810112 /nfs/dbraw/zinc/81/01/12/558810112.db2.gz IHSROUDWECPNPO-UHFFFAOYSA-N 0 0 404.470 4.654 50 0 HJAARN CCc1ccc(Cl)c(CC)c1NC(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000016962123 558810558 /nfs/dbraw/zinc/81/05/58/558810558.db2.gz TVTONXWBZYCWKJ-UHFFFAOYSA-N 0 0 400.906 4.609 50 0 HJAARN CCc1cccc(C)c1NC(=O)Cn1cnc2c(-c3ccc(F)cc3)csc2c1=O ZINC000038486545 558811405 /nfs/dbraw/zinc/81/14/05/558811405.db2.gz KBWVLVKBKSZJCD-UHFFFAOYSA-N 0 0 421.497 4.774 50 0 HJAARN Cc1nn(C(C)C)c2nc(C)cc(C(=O)Nc3ccc(Cn4cc(Cl)cn4)cc3)c12 ZINC000017093358 558821806 /nfs/dbraw/zinc/82/18/06/558821806.db2.gz PIXFTYGLYPXZSF-UHFFFAOYSA-N 0 0 422.920 4.780 50 0 HJAARN NC(=O)COc1ccc(Nc2nnc(-c3ccc(Cl)cc3)c3ccccc32)cc1 ZINC000017139178 558823761 /nfs/dbraw/zinc/82/37/61/558823761.db2.gz IGXFJDAFZHWDHN-UHFFFAOYSA-N 0 0 404.857 4.558 50 0 HJAARN CC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)cc1 ZINC000017987463 558829248 /nfs/dbraw/zinc/82/92/48/558829248.db2.gz URZCERNAARKDSN-NHCUHLMSSA-N 0 0 403.478 4.659 50 0 HJAARN Cc1ccc(CNC(=O)c2ccc(Nc3cc(-c4cccc(F)c4)ncn3)cc2)o1 ZINC000033010881 558830105 /nfs/dbraw/zinc/83/01/05/558830105.db2.gz WULLKSLNOLCSBZ-UHFFFAOYSA-N 0 0 402.429 4.858 50 0 HJAARN CCOC(=O)c1cc(Oc2ncnc3c4ccccc4oc32)cc(C(=O)OCC)c1 ZINC000033010853 558830141 /nfs/dbraw/zinc/83/01/41/558830141.db2.gz WRKIMGZJBCHBNV-UHFFFAOYSA-N 0 0 406.394 4.522 50 0 HJAARN Cc1ccc(-c2noc(-c3cccc(OCC(=O)Nc4ccccc4F)c3)n2)cc1 ZINC000033012344 558832127 /nfs/dbraw/zinc/83/21/27/558832127.db2.gz SDXWQCYAMMUCDW-UHFFFAOYSA-N 0 0 403.413 4.869 50 0 HJAARN CCOc1ccc(NC(=O)c2ccccc2OCc2nc(-c3ccccc3)no2)cc1 ZINC000033012839 558832584 /nfs/dbraw/zinc/83/25/84/558832584.db2.gz KEJSGPQPEJAOLV-UHFFFAOYSA-N 0 0 415.449 4.967 50 0 HJAARN CCOc1ccccc1NC(=O)c1ccccc1OCc1nc(-c2ccccc2)no1 ZINC000033012847 558832588 /nfs/dbraw/zinc/83/25/88/558832588.db2.gz MNHPYAGFVGKPBR-UHFFFAOYSA-N 0 0 415.449 4.967 50 0 HJAARN O=C(NC[C@@H]1CCC[C@H](CNC(=O)c2ccc(Cl)cc2)C1)c1ccc(Cl)cc1 ZINC000018190501 558832837 /nfs/dbraw/zinc/83/28/37/558832837.db2.gz HHMNNWQPOVHKQC-IYBDPMFKSA-N 0 0 419.352 4.960 50 0 HJAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ncccc3C)n2-c2ccccc2)cc1 ZINC000033013575 558833143 /nfs/dbraw/zinc/83/31/43/558833143.db2.gz KFPAEGLBLLMFRU-UHFFFAOYSA-N 0 0 415.522 4.677 50 0 HJAARN Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)n3)n2-c2ccccc2)cc1 ZINC000033013572 558833159 /nfs/dbraw/zinc/83/31/59/558833159.db2.gz CMQAUAQVDDZQMC-UHFFFAOYSA-N 0 0 415.522 4.677 50 0 HJAARN O=C1[C@H]2[C@@H](C(=O)N1C13CC4CC(CC(C4)C1)C3)C1c3ccccc3C2c2ccccc21 ZINC000018282533 558835287 /nfs/dbraw/zinc/83/52/87/558835287.db2.gz LPFANHDQIVJQML-DHIWZXMRSA-N 0 0 409.529 4.847 50 0 HJAARN Cc1cc(N2CCCC2)ccc1C=C1SC(=O)N(CC(=O)c2ccccc2)C1=O ZINC000001008541 558835913 /nfs/dbraw/zinc/83/59/13/558835913.db2.gz CGNPODROAUJKGY-KGENOOAVSA-N 0 0 406.507 4.514 50 0 HJAARN O=C(N[C@@H](Cc1ncc[nH]1)c1ccccc1)c1ccc(C2SCCCS2)cc1 ZINC000010644189 558836547 /nfs/dbraw/zinc/83/65/47/558836547.db2.gz JLZWJTLOBCNKRG-IBGZPJMESA-N 0 0 409.580 4.992 50 0 HJAARN Cc1ccc(NC(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)cc1C ZINC000046009379 558838880 /nfs/dbraw/zinc/83/88/80/558838880.db2.gz RRXRACWSGKGSDV-UHFFFAOYSA-N 0 0 416.481 4.930 50 0 HJAARN COc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)NC1CCCCC1 ZINC000046006731 558838885 /nfs/dbraw/zinc/83/88/85/558838885.db2.gz VKZXBCUJJBGEDU-UHFFFAOYSA-N 0 0 424.520 4.567 50 0 HJAARN Cc1ccc(-c2nc3nc(C)c(CC(=O)Nc4cc(Cl)ccc4C)c(C)n3n2)cc1 ZINC000046023803 558839176 /nfs/dbraw/zinc/83/91/76/558839176.db2.gz RKONDNFOVSAHCI-UHFFFAOYSA-N 0 0 419.916 4.860 50 0 HJAARN Cc1cccc(-c2nc3nc(C)c(CC(=O)Nc4cccc(Cl)c4)c(C)n3n2)c1 ZINC000046023864 558839241 /nfs/dbraw/zinc/83/92/41/558839241.db2.gz UEGQOHILCSFCTM-UHFFFAOYSA-N 0 0 405.889 4.551 50 0 HJAARN Cc1ccc(S(=O)(=O)N2CCCc3cc(C(=O)Nc4cccc(C)c4)ccc32)cc1 ZINC000013583649 558845383 /nfs/dbraw/zinc/84/53/83/558845383.db2.gz ZVWDQVFWRMSBSR-UHFFFAOYSA-N 0 0 420.534 4.697 50 0 HJAARN COc1ccc(CNC(=O)c2cccc(Nc3ccnc(-c4ccccc4)n3)c2)cc1 ZINC000033025426 558845993 /nfs/dbraw/zinc/84/59/93/558845993.db2.gz WOXKHADEIBSSRF-UHFFFAOYSA-N 0 0 410.477 4.826 50 0 biogenic HJAARN Cc1ccc(-c2nnc(SCC(=O)NC3CCCC3)n2-c2ccccc2)cc1C ZINC000033025631 558846175 /nfs/dbraw/zinc/84/61/75/558846175.db2.gz CDOLTZKVCSDZRJ-UHFFFAOYSA-N 0 0 406.555 4.702 50 0 HJAARN O=C(Nc1ccccc1SCc1cc(=O)n2ccccc2n1)c1cccc(Cl)c1 ZINC000033026145 558847015 /nfs/dbraw/zinc/84/70/15/558847015.db2.gz SIYTWDXAWQEPND-UHFFFAOYSA-N 0 0 421.909 4.893 50 0 HJAARN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Nc4ccccc4)nc3)C2)cc1 ZINC000060333367 558849382 /nfs/dbraw/zinc/84/93/82/558849382.db2.gz RLKGTQNEXHRUNE-HXUWFJFHSA-N 0 0 414.509 4.625 50 0 HJAARN COc1cc(CCC(=O)Nc2ccc3c(C)c(C(=O)c4ccccc4)oc3c2)on1 ZINC000013692110 558855886 /nfs/dbraw/zinc/85/58/86/558855886.db2.gz YQXOPYRRRONXGL-UHFFFAOYSA-N 0 0 404.422 4.540 50 0 HJAARN COc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)N4CCC(C)CC4)c3)C2)cc1 ZINC000033034685 558858709 /nfs/dbraw/zinc/85/87/09/558858709.db2.gz KQKKAPWIEXOGGY-HSZRJFAPSA-N 0 0 420.553 4.587 50 0 HJAARN COc1ccc(C(=O)OCc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)c(OC)c1 ZINC000011134378 558859805 /nfs/dbraw/zinc/85/98/05/558859805.db2.gz MAXPAKHFMRVJNV-DEOSSOPVSA-N 0 0 424.424 4.808 50 0 HJAARN O=C(NCCc1ccco1)c1cccc([C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033035841 558859851 /nfs/dbraw/zinc/85/98/51/558859851.db2.gz OZMHYETYLSVNGV-NRFANRHFSA-N 0 0 417.509 4.664 50 0 HJAARN COc1ccc(-c2coc3c(ccc4c3CN(C3CCCC3)CO4)c2=O)cc1OC ZINC000013732143 558861111 /nfs/dbraw/zinc/86/11/11/558861111.db2.gz XTMXSDYVXNDGND-UHFFFAOYSA-N 0 0 407.466 4.572 50 0 biogenic HJAARN Cc1ccccc1NC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cccc(F)c2)c1 ZINC000068732638 558864786 /nfs/dbraw/zinc/86/47/86/558864786.db2.gz QEXSDKURXGEPOU-UHFFFAOYSA-N 0 0 418.877 4.841 50 0 HJAARN CCOC(=O)c1cccc(NC(=O)c2cnc(N3CCCCC3)c3ccccc23)c1 ZINC000033073201 558867384 /nfs/dbraw/zinc/86/73/84/558867384.db2.gz NVOPPQNBVUHFQZ-UHFFFAOYSA-N 0 0 403.482 4.654 50 0 aggregator HJAARN CCOc1ccc(NC(=O)[C@H]2CCCN(c3ncnc4sc(CC)cc43)C2)cc1 ZINC000033078304 558867732 /nfs/dbraw/zinc/86/77/32/558867732.db2.gz WIWKBXIPVNOGKN-HNNXBMFYSA-N 0 0 410.543 4.508 50 0 HJAARN CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)Nc3ccc(F)c(Cl)c3)C2)s1 ZINC000033078255 558867734 /nfs/dbraw/zinc/86/77/34/558867734.db2.gz RTFUMVCBGDZFNT-GFCCVEGCSA-N 0 0 418.925 4.901 50 0 HJAARN Cc1c(C(=O)NCc2ccccc2F)sc2ncnc(N(C)C3CCCCC3)c12 ZINC000033078889 558868336 /nfs/dbraw/zinc/86/83/36/558868336.db2.gz UZYJPMJUVDUGKT-UHFFFAOYSA-N 0 0 412.534 4.838 50 0 HJAARN Cc1ccc2[nH]c3c(ncnc3SCC(=O)NCc3ccc(F)c(Cl)c3)c2c1 ZINC000072331984 558868416 /nfs/dbraw/zinc/86/84/16/558868416.db2.gz FLVVMYODWZNTOM-UHFFFAOYSA-N 0 0 414.893 4.621 50 0 HJAARN COc1ccc(C)cc1-n1ccnc(S[C@@H](C)C(=O)c2ccc(C)c(C)c2)c1=O ZINC000033039885 558869080 /nfs/dbraw/zinc/86/90/80/558869080.db2.gz IXGYKPJDMRETLU-KRWDZBQOSA-N 0 0 408.523 4.530 50 0 HJAARN O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCCN(Cc2ccc3nsnc3c2)C1 ZINC000055074224 558871548 /nfs/dbraw/zinc/87/15/48/558871548.db2.gz KSRVQCQIJAWSBE-HNNXBMFYSA-N 0 0 405.445 4.805 50 0 HJAARN CC(C)c1ccccc1NC(=O)CCC(=O)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000055088977 558871728 /nfs/dbraw/zinc/87/17/28/558871728.db2.gz HGILSKLSVGFYMH-SFHVURJKSA-N 0 0 404.514 4.592 50 0 HJAARN Cc1cccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@@H]3C)c1C ZINC000033089185 558871931 /nfs/dbraw/zinc/87/19/31/558871931.db2.gz FHEOWMDIUJMSGC-LBPRGKRZSA-N 0 0 411.299 4.750 50 0 HJAARN FC(F)(F)c1ccc(NC(=S)N2CCn3cccc3[C@H]2c2ccncc2)cc1 ZINC000004659425 558872622 /nfs/dbraw/zinc/87/26/22/558872622.db2.gz ZLTDZGPCHMBGSO-GOSISDBHSA-N 0 0 402.445 4.704 50 0 HJAARN O=C(CSc1nc(C(F)(F)F)nc2ccccc21)N1CCC[C@H]2CCCC[C@@H]21 ZINC000019354848 558875652 /nfs/dbraw/zinc/87/56/52/558875652.db2.gz BIHLQEJWPWIFQH-CJNGLKHVSA-N 0 0 409.477 4.922 50 0 HJAARN O=C(CSc1nc(C(F)(F)F)nc2ccccc21)N1CCC[C@@H]2CCCC[C@H]21 ZINC000019354849 558875726 /nfs/dbraw/zinc/87/57/26/558875726.db2.gz BIHLQEJWPWIFQH-XJKSGUPXSA-N 0 0 409.477 4.922 50 0 HJAARN O=C(OCc1coc(-c2cccs2)n1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000010654283 558875842 /nfs/dbraw/zinc/87/58/42/558875842.db2.gz WITOTLRYMRMWOO-UHFFFAOYSA-N 0 0 409.467 4.504 50 0 HJAARN O=c1[nH]cnc2c1[C@@H](c1ccc(Br)cc1)c1c(ccc3ccccc31)O2 ZINC000004663958 558876034 /nfs/dbraw/zinc/87/60/34/558876034.db2.gz IUYNBWGZMQYIMO-KRWDZBQOSA-N 0 0 405.251 4.972 50 0 HJAARN Cc1c([C@@H](C)NCc2cnc(-c3cccc(C)c3)nc2)cnn1-c1cccc(F)c1 ZINC000055244545 558877326 /nfs/dbraw/zinc/87/73/26/558877326.db2.gz NSGZWUXKHFGDIZ-QGZVFWFLSA-N 0 0 401.489 4.936 50 0 HJAARN Cc1cc(S(=O)(=O)Nc2cccc(CCc3nc4ccccc4[nH]3)c2)ccc1F ZINC000033116562 558877837 /nfs/dbraw/zinc/87/78/37/558877837.db2.gz VYPMBMHWTXXZCI-UHFFFAOYSA-N 0 0 409.486 4.596 50 0 HJAARN Cc1cc(Sc2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)n2ncnc2n1 ZINC000033122106 558878934 /nfs/dbraw/zinc/87/89/34/558878934.db2.gz DSKZXNBOLAMCQZ-UHFFFAOYSA-N 0 0 412.425 4.506 50 0 HJAARN Cc1nc2ncnn2c(Sc2ccc(NC(=O)Nc3ccccc3F)cc2)c1C ZINC000033122127 558879040 /nfs/dbraw/zinc/87/90/40/558879040.db2.gz IBWWAOWVZCUAPD-UHFFFAOYSA-N 0 0 408.462 4.675 50 0 HJAARN COc1ccc(-n2cc(CN(C)[C@@H](C)c3ccncn3)c(-c3cccc(F)c3)n2)cc1 ZINC000055358232 558879947 /nfs/dbraw/zinc/87/99/47/558879947.db2.gz FWCRHJYCKFZIAA-KRWDZBQOSA-N 0 0 417.488 4.670 50 0 HJAARN Cc1ccc(NC(=O)N[C@H](C(=O)N2CCc3ccccc32)c2ccccc2)cc1F ZINC000033127880 558881195 /nfs/dbraw/zinc/88/11/95/558881195.db2.gz MPUZVZFUTGREBQ-QFIPXVFZSA-N 0 0 403.457 4.586 50 0 HJAARN O=C(Nc1ccc(F)c(Cl)c1)N[C@@H](C(=O)N1CCc2ccccc21)c1ccccc1 ZINC000033127841 558881203 /nfs/dbraw/zinc/88/12/03/558881203.db2.gz TWOJPKTYFNUCDW-OAQYLSRUSA-N 0 0 423.875 4.931 50 0 HJAARN Cc1ccc(NC(=O)[C@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)cc1 ZINC000033128223 558881956 /nfs/dbraw/zinc/88/19/56/558881956.db2.gz SBXVIRSQLKDJEO-HNNXBMFYSA-N 0 0 413.930 4.622 50 0 HJAARN Cc1cccc(-c2cc3nc(C[N@@H+](Cc4cccs4)CC(C)C)cc(=O)n3[n-]2)c1 ZINC000033126281 558884052 /nfs/dbraw/zinc/88/40/52/558884052.db2.gz YAFYROXDUXHUGZ-UHFFFAOYSA-N 0 0 406.555 4.718 50 0 HJAARN COC(=O)c1cccc(NC(=O)Nc2c3cc(F)ccc3[nH]c2-c2cccnc2)c1 ZINC000033130773 558887205 /nfs/dbraw/zinc/88/72/05/558887205.db2.gz PKFDIOLSKPZRAE-UHFFFAOYSA-N 0 0 404.401 4.800 50 0 HJAARN COc1ccccc1Oc1ccc(-c2ccc(C(=O)N3CCC(C)CC3)cc2)nn1 ZINC000033130851 558887379 /nfs/dbraw/zinc/88/73/79/558887379.db2.gz HKXJYIDRVOIXNO-UHFFFAOYSA-N 0 0 403.482 4.817 50 0 HJAARN COc1cccc(Oc2ccc(-c3cccc(C(=O)NCc4ccc(C)o4)c3)nn2)c1 ZINC000033131059 558887538 /nfs/dbraw/zinc/88/75/38/558887538.db2.gz HUEWIYQNPPYTGQ-UHFFFAOYSA-N 0 0 415.449 4.776 50 0 HJAARN COc1ccc(Oc2ccc(-c3cccc(C(=O)NCc4ccccc4)c3)nn2)cc1 ZINC000033130996 558887569 /nfs/dbraw/zinc/88/75/69/558887569.db2.gz HDVSGBYLIZQAPY-UHFFFAOYSA-N 0 0 411.461 4.875 50 0 biogenic HJAARN CC(C)(C)c1cc(NC(=O)c2cc(Br)cnc2Cl)n(C(C)(C)C)n1 ZINC000060365051 558888601 /nfs/dbraw/zinc/88/86/01/558888601.db2.gz MNEWRRWFAJZSOX-UHFFFAOYSA-N 0 0 413.747 4.999 50 0 HJAARN O=C1C[C@H](c2ccc(OCc3ccccc3F)cc2)c2c(=O)[nH]c3ccccc3c2O1 ZINC000004626131 558890498 /nfs/dbraw/zinc/89/04/98/558890498.db2.gz PBPJCGIGNHOUKR-LJQANCHMSA-N 0 0 415.420 4.687 50 0 HJAARN CCOC(=O)c1cc(CC)sc1NC(=O)CNC(c1ccccc1)c1ccccc1 ZINC000057945566 558891665 /nfs/dbraw/zinc/89/16/65/558891665.db2.gz HJSGQPSOOPITJB-UHFFFAOYSA-N 0 0 422.550 4.805 50 0 HJAARN Cc1csc(Nc2cccc(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)c2)n1 ZINC000057992603 558892978 /nfs/dbraw/zinc/89/29/78/558892978.db2.gz MUQPRAOFHYCGAK-UHFFFAOYSA-N 0 0 415.540 4.630 50 0 HJAARN COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2CSc2ncccn2)c1 ZINC000058016194 558895498 /nfs/dbraw/zinc/89/54/98/558895498.db2.gz AZJMZAUKANSRBA-UHFFFAOYSA-N 0 0 421.478 4.785 50 0 HJAARN C[C@@H](NC(=O)c1ccccc1NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccccc1 ZINC000004690412 558899792 /nfs/dbraw/zinc/89/97/92/558899792.db2.gz ZPANJEKALVVQIO-ABDJAZHISA-N 0 0 414.461 4.558 50 0 HJAARN O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccc(Br)cc1F ZINC000058133327 558900556 /nfs/dbraw/zinc/90/05/56/558900556.db2.gz XPWKEDDFORYKLC-UHFFFAOYSA-N 0 0 413.290 4.906 50 0 HJAARN CC(C)c1cccc(C(C)C)c1N(CCO)S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000058135035 558900885 /nfs/dbraw/zinc/90/08/85/558900885.db2.gz OWAYKQRUOXDFIE-UHFFFAOYSA-N 0 0 401.572 4.610 50 0 HJAARN O=C(CSc1ncnc2c3ccccc3[nH]c21)Nc1ccccc1C(F)(F)F ZINC000033172338 558900918 /nfs/dbraw/zinc/90/09/18/558900918.db2.gz CBVKMMVQBWQYII-UHFFFAOYSA-N 0 0 402.401 4.861 50 0 HJAARN O=C(Nc1ccccc1)c1ccc(Cl)c(NC(=O)N2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000058158828 558904099 /nfs/dbraw/zinc/90/40/99/558904099.db2.gz NQPNKHGFUUHTJA-WOJBJXKFSA-N 0 0 413.905 4.768 50 0 HJAARN O=C(N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000058162959 558906237 /nfs/dbraw/zinc/90/62/37/558906237.db2.gz QOMWWDRQXJVYFC-ICFVPDRFSA-N 0 0 409.505 4.798 50 0 HJAARN O=C(CN1CCN(c2ccccc2F)CC1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000058164021 558906540 /nfs/dbraw/zinc/90/65/40/558906540.db2.gz HLPGPYSWCKZXNX-UHFFFAOYSA-N 0 0 416.711 4.547 50 0 HJAARN O=C1Nc2ccccc2/C1=C1/SC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000004698827 558906992 /nfs/dbraw/zinc/90/69/92/558906992.db2.gz KOWHLTUQBQZLLT-PFONDFGASA-N 0 0 405.262 4.552 50 0 HJAARN Cc1cccc(C)c1NC(=O)CSc1nnc(Cc2cccc3ccccc32)n1C ZINC000004700315 558907804 /nfs/dbraw/zinc/90/78/04/558907804.db2.gz AAXBNGHYRLBBJU-UHFFFAOYSA-N 0 0 416.550 4.907 50 0 HJAARN O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000071758960 558909884 /nfs/dbraw/zinc/90/98/84/558909884.db2.gz DJNCZHGZZTZTNL-IBGZPJMESA-N 0 0 404.485 4.666 50 0 HJAARN COc1ccc(NC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)cc1 ZINC000058203097 558911724 /nfs/dbraw/zinc/91/17/24/558911724.db2.gz DHCZWVWJWXZSSZ-UHFFFAOYSA-N 0 0 400.276 4.513 50 0 HJAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1ccc2ccccc2c1 ZINC000004703774 558913063 /nfs/dbraw/zinc/91/30/63/558913063.db2.gz LLRSFRWXGXAPLH-UHFFFAOYSA-N 0 0 416.502 4.674 50 0 HJAARN CC(=O)Nc1ccc2nc(NC(=O)c3cccc(OCc4ccccc4)c3)oc2c1 ZINC000004703993 558913448 /nfs/dbraw/zinc/91/34/48/558913448.db2.gz JBLOUWBAEVQVME-UHFFFAOYSA-N 0 0 401.422 4.618 50 0 HJAARN CCn1nnc2cc(C(=O)Nc3ccc(Sc4ccccn4)c(Cl)c3)ccc21 ZINC000058247245 558914962 /nfs/dbraw/zinc/91/49/62/558914962.db2.gz SDZZRGXVQCKYMX-UHFFFAOYSA-N 0 0 409.902 4.903 50 0 HJAARN CCOc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cccnc4)=NN32)cc1 ZINC000004715747 558915095 /nfs/dbraw/zinc/91/50/95/558915095.db2.gz RDLMHPQQKYHADS-XUZZJYLKSA-N 0 0 401.466 4.731 50 0 HJAARN C[C@@H]1CCCC[C@H]1OCCNC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 ZINC000058269001 558916191 /nfs/dbraw/zinc/91/61/91/558916191.db2.gz SCRVFBVYMVFLIT-XMSQKQJNSA-N 0 0 409.530 4.680 50 0 HJAARN CC(C)C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1cccc(C(F)(F)F)c1 ZINC000058294717 558917167 /nfs/dbraw/zinc/91/71/67/558917167.db2.gz GNJRDNDDKINGDG-GOSISDBHSA-N 0 0 413.461 4.626 50 0 HJAARN CCOc1ccccc1NC(=O)CSCc1nc(-c2ccc(Cl)cc2)no1 ZINC000033250376 558919139 /nfs/dbraw/zinc/91/91/39/558919139.db2.gz MDIICCNZEMVFJW-UHFFFAOYSA-N 0 0 403.891 4.661 50 0 HJAARN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)Cc3csc(-c4ccsc4)n3)nc2c1 ZINC000058342305 558920491 /nfs/dbraw/zinc/92/04/91/558920491.db2.gz VTVLTMJOSAHKAM-SFHVURJKSA-N 0 0 408.552 4.963 50 0 HJAARN O=C(c1ccccc1OCc1ccc(F)cc1)N1CCC(Nc2cccnc2)CC1 ZINC000058342300 558920512 /nfs/dbraw/zinc/92/05/12/558920512.db2.gz DOVHYZAXSOVZMY-UHFFFAOYSA-N 0 0 405.473 4.516 50 0 HJAARN Cc1cccnc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000058391499 558923398 /nfs/dbraw/zinc/92/33/98/558923398.db2.gz WRYMQEAEDNIEOP-MRXNPFEDSA-N 0 0 423.900 4.794 50 0 HJAARN CCOC(=O)c1c(=O)[nH]c2cc(Cl)ccc2c1NCc1ccccc1C(F)(F)F ZINC000033256896 558923954 /nfs/dbraw/zinc/92/39/54/558923954.db2.gz QIRNCYNGHDHVGA-UHFFFAOYSA-N 0 0 424.806 4.989 50 0 HJAARN CCCNC(=O)Nc1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1 ZINC000033257156 558924135 /nfs/dbraw/zinc/92/41/35/558924135.db2.gz WTHWVLMQCZPKAT-UHFFFAOYSA-N 0 0 401.264 4.698 50 0 HJAARN O=c1c2sc(-c3ccccc3)cc2ncn1Cc1csc(Br)c1 ZINC000058406617 558924466 /nfs/dbraw/zinc/92/44/66/558924466.db2.gz FHMWOWZKYVFJFT-UHFFFAOYSA-N 0 0 403.326 4.997 50 0 HJAARN Cc1nc(C)c([C@@H](C)NC(=O)Cn2c(C)c(Br)c3ccccc32)s1 ZINC000058406639 558924534 /nfs/dbraw/zinc/92/45/34/558924534.db2.gz CEMCEZQBRMAYSF-LLVKDONJSA-N 0 0 406.349 4.663 50 0 HJAARN Cc1c(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)nnn1-c1ccc(F)cc1 ZINC000058406562 558924540 /nfs/dbraw/zinc/92/45/40/558924540.db2.gz CRMKHQNWZXVFET-UHFFFAOYSA-N 0 0 410.836 4.558 50 0 HJAARN CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(c3c(C)[nH]c4ccccc43)CC2)c1C ZINC000058412950 558925068 /nfs/dbraw/zinc/92/50/68/558925068.db2.gz SDCROTKIADCETO-UHFFFAOYSA-N 0 0 407.514 4.618 50 0 HJAARN CCc1nc(-c2ccc(-n3cc(C(=O)Nc4ccccc4Cl)c(C)n3)cc2)no1 ZINC000033258552 558925562 /nfs/dbraw/zinc/92/55/62/558925562.db2.gz JMDPXZQETIZELZ-UHFFFAOYSA-N 0 0 407.861 4.699 50 0 HJAARN Cc1nn(-c2ccc(-c3noc(C4CC4)n3)cc2)cc1C(=O)Nc1ccc(C)c(F)c1 ZINC000033258677 558925760 /nfs/dbraw/zinc/92/57/60/558925760.db2.gz MCYSCVRSNZCGKS-UHFFFAOYSA-N 0 0 417.444 4.808 50 0 HJAARN Cc1cccc(-c2noc(CSc3ccc(-c4ccc5c(c4)OCO5)nn3)n2)c1 ZINC000033262456 558931256 /nfs/dbraw/zinc/93/12/56/558931256.db2.gz ZARURFPLSRZBNY-UHFFFAOYSA-N 0 0 404.451 4.523 50 0 HJAARN O=C1C[C@@H](c2ccc(OCc3cccc(F)c3)cc2)c2c(=O)[nH]c3ccccc3c2O1 ZINC000004629512 558933025 /nfs/dbraw/zinc/93/30/25/558933025.db2.gz RVXISVPPAWLVOG-FQEVSTJZSA-N 0 0 415.420 4.687 50 0 HJAARN COc1ccc2cc(C=C3SC(=O)N=C3Nc3cccc(Cl)c3)c(=O)[nH]c2c1 ZINC000072401527 558936144 /nfs/dbraw/zinc/93/61/44/558936144.db2.gz POJCPWBUTKNLAD-IUXPMGMMSA-N 0 0 411.870 4.908 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Cc1coc2cc3c(cc12)CCC3 ZINC000019617857 558946883 /nfs/dbraw/zinc/94/68/83/558946883.db2.gz TWINTJSQTKJAQE-UHFFFAOYSA-N 0 0 413.521 4.925 50 0 HJAARN Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@H](c2cc(F)cc(F)c2)CC(=O)N3)c1 ZINC000021784829 558949840 /nfs/dbraw/zinc/94/98/40/558949840.db2.gz AWHJEEKEHJOPOE-INIZCTEOSA-N 0 0 413.449 4.535 50 0 HJAARN Cc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCC2)cc1C ZINC000021810550 558953268 /nfs/dbraw/zinc/95/32/68/558953268.db2.gz QMCCVRCJSASWOP-RUZDIDTESA-N 0 0 419.525 4.719 50 0 HJAARN O=C(CSCc1cc(=O)c2cccc(F)c2[nH]1)Nc1cccc(C(F)(F)F)c1 ZINC000033063840 558956827 /nfs/dbraw/zinc/95/68/27/558956827.db2.gz UFJOZYDCGWBOST-UHFFFAOYSA-N 0 0 410.392 4.558 50 0 HJAARN Cc1cc(C)c2[nH]c(CSCC(=O)Nc3cccc(Cl)c3C)cc(=O)c2c1 ZINC000033064074 558956950 /nfs/dbraw/zinc/95/69/50/558956950.db2.gz FERQKMSDIMIXRR-UHFFFAOYSA-N 0 0 400.931 4.979 50 0 HJAARN CCc1cccc(N2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NC2CCCC2)c1 ZINC000064662111 558964926 /nfs/dbraw/zinc/96/49/26/558964926.db2.gz ADEMXMCQJPJTGE-DEOSSOPVSA-N 0 0 421.566 4.743 50 0 HJAARN O=S(=O)(c1ccc(-c2cnc(C3CCCC3)o2)s1)N1CCc2ccccc21 ZINC000065004664 558969466 /nfs/dbraw/zinc/96/94/66/558969466.db2.gz SVJPUOHBGLBMBO-UHFFFAOYSA-N 0 0 400.525 4.812 50 0 HJAARN CC(=O)Nc1ccc(Oc2ccc(-c3noc(-c4ccc5c(c4)OCO5)n3)cc2)cc1 ZINC000065005307 558969893 /nfs/dbraw/zinc/96/98/93/558969893.db2.gz GUYHVJYKLCNPIJ-UHFFFAOYSA-N 0 0 415.405 4.883 50 0 HJAARN C[C@@]1(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)CC1(Cl)Cl ZINC000022993463 558970301 /nfs/dbraw/zinc/97/03/01/558970301.db2.gz AICZYKGRTISHHF-KRWDZBQOSA-N 0 0 413.736 4.847 50 0 HJAARN O=C(Nc1ccc(F)cc1)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021914940 558971701 /nfs/dbraw/zinc/97/17/01/558971701.db2.gz OYEPOQRSSUSQRN-UHFFFAOYSA-N 0 0 403.457 4.915 50 0 HJAARN CC(=O)N1N=C(c2cccc(Br)c2)O[C@@H]1c1cc(C)nc2ccccc21 ZINC000021941395 558979215 /nfs/dbraw/zinc/97/92/15/558979215.db2.gz DIUGQGWNYVYNRO-HXUWFJFHSA-N 0 0 410.271 4.545 50 0 HJAARN CC1(C)[C@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1C1CCCC1 ZINC000004728707 558985763 /nfs/dbraw/zinc/98/57/63/558985763.db2.gz KVYGRSSNIBUFQH-FQEVSTJZSA-N 0 0 408.502 4.899 50 0 HJAARN CC1(C)[C@@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1C1CCCC1 ZINC000004728708 558985809 /nfs/dbraw/zinc/98/58/09/558985809.db2.gz KVYGRSSNIBUFQH-HXUWFJFHSA-N 0 0 408.502 4.899 50 0 HJAARN Nc1c(Cl)c(Cl)nc(C(=O)OCc2cc(Cl)cc3c2OCOC3)c1Cl ZINC000022056979 558986015 /nfs/dbraw/zinc/98/60/15/558986015.db2.gz DTNAJVDNONKAOC-UHFFFAOYSA-N 0 0 424.067 4.501 50 0 HJAARN Cc1ccc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)cc1Cl ZINC000096817277 558986959 /nfs/dbraw/zinc/98/69/59/558986959.db2.gz JDNMFVPUMHIQFK-CPNJWEJPSA-N 0 0 405.845 4.532 50 0 HJAARN CSc1ccc(NC(=O)N2CC[C@@H](n3c(-c4ccco4)nc4cccnc43)C2)cc1 ZINC000097088578 558991329 /nfs/dbraw/zinc/99/13/29/558991329.db2.gz FKOGAXRGJBCEIJ-MRXNPFEDSA-N 0 0 419.510 4.892 50 0 HJAARN COc1ccc(Oc2cc(N[C@H](C)C(=O)Nc3cccc(OC)c3)ccc2OC)cc1 ZINC000022421193 558991457 /nfs/dbraw/zinc/99/14/57/558991457.db2.gz LEZPXJQRSVCXIZ-MRXNPFEDSA-N 0 0 422.481 4.944 50 0 HJAARN Cc1cc(SCC(=O)Nc2ccc(F)cc2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000033268952 558993466 /nfs/dbraw/zinc/99/34/66/558993466.db2.gz FKUXREPABFHMBC-UHFFFAOYSA-N 0 0 410.449 4.714 50 0 HJAARN COc1ccc2ccc(OCc3nc(C(=O)N(C)[C@H](C)c4cccnc4)co3)cc2c1 ZINC000067833405 558993543 /nfs/dbraw/zinc/99/35/43/558993543.db2.gz UTKKUGSBRBENGF-MRXNPFEDSA-N 0 0 417.465 4.644 50 0 HJAARN Cc1ccc2nc(-c3cn[nH]c3)c(C)c(C(=O)N(Cc3ncccc3C)C(C)C)c2c1 ZINC000067843135 558993649 /nfs/dbraw/zinc/99/36/49/558993649.db2.gz GKVKNGIVEGNRJI-UHFFFAOYSA-N 0 0 413.525 4.996 50 0 HJAARN Cc1noc(-c2ccc(NS(=O)(=O)c3cc(Cl)sc3Cl)c(Cl)c2)n1 ZINC000097109227 558995204 /nfs/dbraw/zinc/99/52/04/558995204.db2.gz POAJSPNAQUBWMC-UHFFFAOYSA-N 0 0 424.718 4.868 50 0 HJAARN Cc1cc(C)cc(NC(=O)N2CC[C@@H](n3c(-c4ccoc4)nc4cccnc43)C2)c1 ZINC000097111611 558995422 /nfs/dbraw/zinc/99/54/22/558995422.db2.gz WAMCSXVQFMMBNP-LJQANCHMSA-N 0 0 401.470 4.787 50 0 HJAARN CCc1nc2ccccc2n1Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 ZINC000097164482 558998430 /nfs/dbraw/zinc/99/84/30/558998430.db2.gz MMKMQFPFDBJANQ-UHFFFAOYSA-N 0 0 404.470 4.751 50 0 HJAARN Cc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(Cl)cc2)cc1 ZINC000023125774 559013765 /nfs/dbraw/zinc/01/37/65/559013765.db2.gz DXFRJMMLLLBFIP-UHFFFAOYSA-N 0 0 420.943 4.787 50 0 HJAARN COc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1N1CCCC1=O ZINC000011257378 559015122 /nfs/dbraw/zinc/01/51/22/559015122.db2.gz WICJCZNCGXUFQI-GFCCVEGCSA-N 0 0 423.296 4.535 50 0 HJAARN COC(=O)c1cccc(NC(=O)/C=C\c2ccc(OCc3csc(C)n3)cc2)c1C ZINC000098004867 559015743 /nfs/dbraw/zinc/01/57/43/559015743.db2.gz WWRHHZPIMWIIPD-XFXZXTDPSA-N 0 0 422.506 4.777 50 0 HJAARN O=C(c1cccc(C(F)(F)F)c1)N1CCC(c2nnc(-c3ccco3)s2)CC1 ZINC000023140798 559020177 /nfs/dbraw/zinc/02/01/77/559020177.db2.gz UWTIGQFLXNGMEP-UHFFFAOYSA-N 0 0 407.417 4.837 50 0 HJAARN Cc1nc2ccc(NC(=O)CCCc3ccccc3)cc2c(=O)n1-c1ccc(F)cc1 ZINC000023143914 559020962 /nfs/dbraw/zinc/02/09/62/559020962.db2.gz JCBSEAFILGSAKV-UHFFFAOYSA-N 0 0 415.468 4.795 50 0 HJAARN COc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)c1 ZINC000033271483 559032912 /nfs/dbraw/zinc/03/29/12/559032912.db2.gz SGHNLNGVVHXUJS-MRXNPFEDSA-N 0 0 404.495 4.582 50 0 HJAARN COc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)c1 ZINC000033271482 559032924 /nfs/dbraw/zinc/03/29/24/559032924.db2.gz SGHNLNGVVHXUJS-INIZCTEOSA-N 0 0 404.495 4.582 50 0 HJAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cccc(C)c3)sc2c1 ZINC000033271551 559033038 /nfs/dbraw/zinc/03/30/38/559033038.db2.gz NUIQPYOVLZWCBJ-INIZCTEOSA-N 0 0 404.495 4.582 50 0 HJAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cccc(C)c4)nc3n2)cc1 ZINC000033271831 559033108 /nfs/dbraw/zinc/03/31/08/559033108.db2.gz IJURGBQFGIQVJM-UHFFFAOYSA-N 0 0 411.387 4.679 50 0 HJAARN CCc1cccc(C)c1Nc1c(-c2ccc(N3CCOCC3)cc2)nc2ncccn21 ZINC000004734171 559033869 /nfs/dbraw/zinc/03/38/69/559033869.db2.gz UYMQIQJWNWBEQX-UHFFFAOYSA-N 0 0 413.525 4.847 50 0 HJAARN Cc1nc(-c2ccc(C)c(-n3cc(C(=O)Nc4cc(C)cc(C)c4)c(C)n3)c2)no1 ZINC000033275285 559034918 /nfs/dbraw/zinc/03/49/18/559034918.db2.gz BJEAKLWBZICJPT-UHFFFAOYSA-N 0 0 401.470 4.717 50 0 HJAARN O=S(=O)(Nc1ccc(-c2noc(-c3ccsc3)n2)cc1)c1ccc(Cl)cc1 ZINC000033276487 559036216 /nfs/dbraw/zinc/03/62/16/559036216.db2.gz CTNUZOQYBLLCJQ-UHFFFAOYSA-N 0 0 417.899 4.919 50 0 HJAARN Cc1ccsc1CCNC(=O)c1ccc(-c2nc(-c3cccc(F)c3)no2)cc1 ZINC000033279029 559042380 /nfs/dbraw/zinc/04/23/80/559042380.db2.gz KIVLWHPKRLYIJY-UHFFFAOYSA-N 0 0 407.470 4.885 50 0 HJAARN O=c1[nH]c(SCc2ccc(F)cc2Cl)nc2c1CN(Cc1ccccc1)CC2 ZINC000033287243 559043932 /nfs/dbraw/zinc/04/39/32/559043932.db2.gz RYNJLEUYQFOFKQ-UHFFFAOYSA-N 0 0 415.921 4.825 50 0 HJAARN O=C(NCc1ccncc1)c1ccccc1Sc1nccnc1Oc1ccccc1 ZINC000033289226 559044546 /nfs/dbraw/zinc/04/45/46/559044546.db2.gz KFBRMZDXXLEOGL-UHFFFAOYSA-N 0 0 414.490 4.745 50 0 HJAARN C[C@@H]1CCC[C@H](NC(=O)CN2C(=O)c3ccccc3[C@H]2c2c[nH]c3ccccc32)[C@@H]1C ZINC000004742807 559044672 /nfs/dbraw/zinc/04/46/72/559044672.db2.gz IMIPXVACLGOPIA-ZEZSNWMHSA-N 0 0 415.537 4.654 50 0 HJAARN 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COc1ccc(C)cc1NC(=O)CCc1nnc(-c2cccc(C(F)(F)F)c2)o1 ZINC000011427529 559075793 /nfs/dbraw/zinc/07/57/93/559075793.db2.gz NTNQRZGYJPBTEI-UHFFFAOYSA-N 0 0 405.376 4.644 50 0 HJAARN CSCc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1 ZINC000011451873 559077051 /nfs/dbraw/zinc/07/70/51/559077051.db2.gz IIZSLGLFFSKXCP-UHFFFAOYSA-N 0 0 409.536 4.810 50 0 HJAARN CC(=O)NCCc1ccc(-c2csc(NC(=O)c3cc4ccccc4s3)n2)cc1 ZINC000011499978 559078563 /nfs/dbraw/zinc/07/85/63/559078563.db2.gz IAVVNDRUGCEOLH-UHFFFAOYSA-N 0 0 421.547 4.956 50 0 HJAARN CC(C)(C)OC(=O)N1CCN(c2cc(Br)ccc2C(F)(F)F)CC1 ZINC000095081658 559079285 /nfs/dbraw/zinc/07/92/85/559079285.db2.gz MZGKNXXLPOCWCA-UHFFFAOYSA-N 0 0 409.246 4.525 50 0 HJAARN Cc1ccc(-c2csc(NC(=O)C(=O)c3c(C)nn(-c4ccccc4)c3C)n2)s1 ZINC000011516008 559079601 /nfs/dbraw/zinc/07/96/01/559079601.db2.gz LVSWWRYAQDEUFZ-UHFFFAOYSA-N 0 0 422.535 4.804 50 0 HJAARN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(N3CCCC3)cc2C)c1 ZINC000011573364 559111357 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4.507 50 0 HJAARN COc1ccc(-c2onc(C)c2C(=O)N[C@H]2CCC[C@@H]2OCc2ccccc2)cc1 ZINC000023313421 559116800 /nfs/dbraw/zinc/11/68/00/559116800.db2.gz XSHFKOVXDFPFQU-SFTDATJTSA-N 0 0 406.482 4.526 50 0 HJAARN Cc1ccccc1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023321436 559126240 /nfs/dbraw/zinc/12/62/40/559126240.db2.gz XCVKGBGXXXMXNF-UHFFFAOYSA-N 0 0 406.476 4.821 50 0 HJAARN Cc1ccc(F)cc1NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072940 559126441 /nfs/dbraw/zinc/12/64/41/559126441.db2.gz FFMUDWIUEAIGBW-UHFFFAOYSA-N 0 0 412.202 4.716 50 0 HJAARN CCCCn1cc(S(=O)(=O)c2cc(C)cc(C)c2)c(=O)c2cc(F)c(F)cc21 ZINC000098212024 559127553 /nfs/dbraw/zinc/12/75/53/559127553.db2.gz NGGIJMYTRCGSJP-UHFFFAOYSA-N 0 0 405.466 4.529 50 0 HJAARN CCOc1ccc(CCn2cnc3sc4c(c3c2=N)CCCCC4)cc1OCC ZINC000100802398 559141000 /nfs/dbraw/zinc/14/10/00/559141000.db2.gz TYLOVGPDTFLMJR-UHFFFAOYSA-N 0 0 411.571 4.886 50 0 HJAARN COc1ccc(C(=O)Nc2c(=O)oc3ccccc3c2NCc2ccccc2)cc1 ZINC000101094206 559143307 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COc1ccc(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)c(OC)c1 ZINC000014359893 559164821 /nfs/dbraw/zinc/16/48/21/559164821.db2.gz DQJGBNXZWLMRSX-UHFFFAOYSA-N 0 0 419.506 4.774 50 0 HJAARN COc1cc(OC)cc(-c2onc(C)c2C(=O)NCc2ccc(C(F)(F)F)cc2)c1 ZINC000023331431 559170475 /nfs/dbraw/zinc/17/04/75/559170475.db2.gz ZEGJJOWLMLSSRV-UHFFFAOYSA-N 0 0 420.387 4.616 50 0 HJAARN Cc1ccc(F)c(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(F)cc3)CC2)c1F ZINC000023332684 559171367 /nfs/dbraw/zinc/17/13/67/559171367.db2.gz CCGCUONYRFDLCQ-XMMPIXPASA-N 0 0 424.466 4.960 50 0 HJAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)C1CCN(C(=O)c2ccco2)CC1 ZINC000014637240 559171650 /nfs/dbraw/zinc/17/16/50/559171650.db2.gz PQWMUIUHZOWCEB-UHFFFAOYSA-N 0 0 424.419 4.578 50 0 HJAARN CCOc1ccccc1Nc1nnc(S[C@H](C)C(=O)N(C)c2ccccc2)s1 ZINC000004843433 559171898 /nfs/dbraw/zinc/17/18/98/559171898.db2.gz KQCLAKVTTOLPSX-CQSZACIVSA-N 0 0 414.556 4.824 50 0 HJAARN O=C(c1c(F)cccc1F)N1CCN(C2c3ccccc3CCc3ccccc32)CC1 ZINC000023335749 559172309 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4.554 50 0 HJAARN O=C(NCCc1ccc(F)cc1)c1ccc(-c2n[nH]c3c2COc2ccccc2-3)cc1 ZINC000023445159 559175214 /nfs/dbraw/zinc/17/52/14/559175214.db2.gz JRLYKUVTUKKFNS-UHFFFAOYSA-N 0 0 413.452 4.748 50 0 HJAARN COc1ccc(-c2nc3ccc(-c4ccc5c(c4)OCO5)cc3o2)c(OC)c1OC ZINC000023457415 559176245 /nfs/dbraw/zinc/17/62/45/559176245.db2.gz GUQVIBFWJSDNRA-UHFFFAOYSA-N 0 0 405.406 4.916 50 0 HJAARN O=C(CC[C@H]1Cc2ccccc2NC1=O)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000023663246 559178921 /nfs/dbraw/zinc/17/89/21/559178921.db2.gz CPNITCXYCUPMDK-PXNSSMCTSA-N 0 0 419.550 4.941 50 0 HJAARN C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)CS2 ZINC000023682258 559179146 /nfs/dbraw/zinc/17/91/46/559179146.db2.gz BXBCNPUTASFPGG-OXQOHEQNSA-N 0 0 402.903 4.525 50 0 HJAARN CCCCn1c(SCC(=O)Nc2ccccc2)nc2c3ccccc3oc2c1=O ZINC000004852679 559191514 /nfs/dbraw/zinc/19/15/14/559191514.db2.gz VHJJKVUFNQLYQI-UHFFFAOYSA-N 0 0 407.495 4.674 50 0 HJAARN O=S(=O)(c1ccc2ccccc2c1)N1CCn2cccc2[C@@H]1c1ccccc1F ZINC000004853826 559192007 /nfs/dbraw/zinc/19/20/07/559192007.db2.gz JWWFVKDQKXJANW-QHCPKHFHSA-N 0 0 406.482 4.574 50 0 HJAARN O=C(Nc1cccs1)N1CCn2cccc2[C@@H]1c1ccc(Br)cc1 ZINC000004854390 559192304 /nfs/dbraw/zinc/19/23/04/559192304.db2.gz OWLKRMVWMCRSBW-KRWDZBQOSA-N 0 0 402.317 4.949 50 0 HJAARN CC1CCC(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000004872289 559194612 /nfs/dbraw/zinc/19/46/12/559194612.db2.gz OEXLCNXFRAGYBA-OCDLPFPYSA-N 0 0 423.601 4.716 50 0 HJAARN COc1cc2nc(SCc3ccccc3C)n(Cc3ccco3)c(=N)c2cc1OC ZINC000100330807 559195445 /nfs/dbraw/zinc/19/54/45/559195445.db2.gz OILOQBWGTYUICQ-UHFFFAOYSA-N 0 0 421.522 4.775 50 0 HJAARN Cc1sc2c(c1C)c(=O)n(-c1ccc(Cl)cc1)c(=O)n2Cc1ccc(F)cc1 ZINC000004877780 559195649 /nfs/dbraw/zinc/19/56/49/559195649.db2.gz SQFXPPUYKNLCBM-UHFFFAOYSA-N 0 0 414.889 4.672 50 0 HJAARN Cc1ccccc1Cn1c2sc3c(c2c(=O)n(Cc2ccccc2)c1=O)CCCC3 ZINC000004877794 559195652 /nfs/dbraw/zinc/19/56/52/559195652.db2.gz FRTJVQKLGMHTQQ-UHFFFAOYSA-N 0 0 416.546 4.509 50 0 HJAARN CCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3)nn2[C@@H]1c1ccccc1C ZINC000004879292 559196052 /nfs/dbraw/zinc/19/60/52/559196052.db2.gz QDSOXLFTNSJCIL-HXUWFJFHSA-N 0 0 420.538 4.731 50 0 HJAARN CCCCCSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C(C(=O)OCC)C(C)=N2 ZINC000004879177 559196064 /nfs/dbraw/zinc/19/60/64/559196064.db2.gz VUNBOLGRFCQBLV-KRWDZBQOSA-N 0 0 404.511 4.552 50 0 HJAARN Cc1cccc(COc2ccccc2C(=O)OCC(=O)Nc2cc(C)ccc2C)c1 ZINC000004881471 559196391 /nfs/dbraw/zinc/19/63/91/559196391.db2.gz NKVXFFOMOKIDRO-UHFFFAOYSA-N 0 0 403.478 4.986 50 0 HJAARN CCN(CCNC(=O)c1ccc2nc(N3CCC(C)CC3)sc2c1)c1ccccc1 ZINC000004912894 559202814 /nfs/dbraw/zinc/20/28/14/559202814.db2.gz SCPDAAOXBRKYKC-UHFFFAOYSA-N 0 0 422.598 4.789 50 0 HJAARN COc1cc(N[C@H]2c3ccccc3C(=O)N2c2ccccc2C)cc(OC)c1OC ZINC000004918783 559204669 /nfs/dbraw/zinc/20/46/69/559204669.db2.gz YQUUGWXEZZCYSS-HSZRJFAPSA-N 0 0 404.466 4.792 50 0 HJAARN CCCNC(=O)/C(=C/c1cn(CC)c2ccccc12)NC(=O)c1ccccc1Cl ZINC000004919119 559204692 /nfs/dbraw/zinc/20/46/92/559204692.db2.gz FJYBBBFROOKNEE-ZHZULCJRSA-N 0 0 409.917 4.612 50 0 HJAARN COc1ccc(-c2cn3c(C)c(C(=O)Nc4ccc(N(C)C)cc4)sc3n2)cc1 ZINC000004924897 559207631 /nfs/dbraw/zinc/20/76/31/559207631.db2.gz HACBPOJROGQNCG-UHFFFAOYSA-N 0 0 406.511 4.698 50 0 HJAARN CCc1ccc(-c2nc(SCC(=O)NCCCOC)c(-c3ccccc3)[nH]2)cc1 ZINC000004927829 559208275 /nfs/dbraw/zinc/20/82/75/559208275.db2.gz QEBGIMOXPRBJTF-UHFFFAOYSA-N 0 0 409.555 4.551 50 0 HJAARN COc1ccccc1-c1cc2nc(C)c(CCC(=O)Nc3ccccc3)c(C)n2n1 ZINC000004935697 559210497 /nfs/dbraw/zinc/21/04/97/559210497.db2.gz AQRPEKGKSHRTSO-UHFFFAOYSA-N 0 0 400.482 4.593 50 0 HJAARN CCOc1ccc(CCNC(=O)c2cc3c(s2)c2ccccc2n(CC)c3=O)cc1 ZINC000004939263 559211805 /nfs/dbraw/zinc/21/18/05/559211805.db2.gz GXKFEDSXNBEQDT-UHFFFAOYSA-N 0 0 420.534 4.607 50 0 HJAARN COc1ccc(-c2noc(CN(C(=O)c3ccccc3)C3CCCCC3)n2)cc1OC ZINC000004943466 559214249 /nfs/dbraw/zinc/21/42/49/559214249.db2.gz IXZKVTUXGUDADD-UHFFFAOYSA-N 0 0 421.497 4.729 50 0 HJAARN CC1(C)C[C@H](NC(=O)c2cccc(F)c2)C[C@@](C)(CNC(=O)c2cccc(F)c2)C1 ZINC000004948398 559214789 /nfs/dbraw/zinc/21/47/89/559214789.db2.gz LDIXUERNYDPSEP-GBXCKJPGSA-N 0 0 414.496 4.710 50 0 HJAARN CCCN1C(=O)CS[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1 ZINC000004950338 559214935 /nfs/dbraw/zinc/21/49/35/559214935.db2.gz VFEWHDFJBHMHHC-QHCPKHFHSA-N 0 0 423.538 4.541 50 0 HJAARN COc1ccc(OC)c(CNC(=O)c2ccc3c(c2)nc2c(c3Cl)CCCC2)c1 ZINC000004958570 559216312 /nfs/dbraw/zinc/21/63/12/559216312.db2.gz YEHFPKVJEWNGBS-UHFFFAOYSA-N 0 0 410.901 4.714 50 0 HJAARN Cc1ccc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)c(C)c1 ZINC000004958737 559216420 /nfs/dbraw/zinc/21/64/20/559216420.db2.gz VGYGDAKZEUTYLE-UHFFFAOYSA-N 0 0 413.905 4.823 50 0 HJAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)CCc1nc2ccccc2s1 ZINC000004977713 559222210 /nfs/dbraw/zinc/22/22/10/559222210.db2.gz PDSZEIMSWWMNRV-SOLBZPMBSA-N 0 0 403.544 4.776 50 0 HJAARN COc1cc(OC)cc(C(=O)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)c1 ZINC000004988476 559224223 /nfs/dbraw/zinc/22/42/23/559224223.db2.gz YDIZEAXSBHNEBG-UHFFFAOYSA-N 0 0 404.422 4.778 50 0 HJAARN CCn1c(CNc2ccc(C)c(Cl)c2)nnc1SCC(=O)OC1CCCCC1 ZINC000004996711 559226057 /nfs/dbraw/zinc/22/60/57/559226057.db2.gz MUAVJQMZQZZVSX-UHFFFAOYSA-N 0 0 422.982 4.840 50 0 HJAARN Cc1ccc(NC(=O)CSc2cc(=O)n(C)c3cc(Cl)ccc23)c(Cl)c1 ZINC000005008524 559227069 /nfs/dbraw/zinc/22/70/69/559227069.db2.gz WSTKCZIYKTZOSS-UHFFFAOYSA-N 0 0 407.322 4.885 50 0 HJAARN Cc1sc(NC(=O)c2cc(-c3cccs3)nc3ccccc32)c(C(N)=O)c1C ZINC000005021166 559229218 /nfs/dbraw/zinc/22/92/18/559229218.db2.gz JHQSLCAAHLQJNC-UHFFFAOYSA-N 0 0 407.520 4.993 50 0 HJAARN O=C(COc1ccccc1)Nc1c2ccccc2oc1C(=O)Nc1ccc(F)cc1 ZINC000005035503 559231977 /nfs/dbraw/zinc/23/19/77/559231977.db2.gz QBJWCNKTTYNADS-UHFFFAOYSA-N 0 0 404.397 4.842 50 0 HJAARN Fc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@@H](c1cccs1)N1NC=NC1=N2 ZINC000005055146 559237509 /nfs/dbraw/zinc/23/75/09/559237509.db2.gz VTYVIMHYEBTTCM-NHCUHLMSSA-N 0 0 402.454 4.691 50 0 HJAARN Fc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2F)cc1 ZINC000005053880 559238943 /nfs/dbraw/zinc/23/89/43/559238943.db2.gz SBXYGTTZCWHMPV-GOTSBHOMSA-N 0 0 414.415 4.769 50 0 HJAARN Fc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 ZINC000005053751 559238982 /nfs/dbraw/zinc/23/89/82/559238982.db2.gz MCZWQRPBPUICEI-GOTSBHOMSA-N 0 0 414.415 4.769 50 0 HJAARN O=C1S/C(=C\c2ccccc2F)C(=O)N1CNc1ccc(Br)cc1 ZINC000033743187 559239238 /nfs/dbraw/zinc/23/92/38/559239238.db2.gz DMPPHAMGGGTSFK-DHDCSXOGSA-N 0 0 407.264 4.694 50 0 HJAARN O=C(OCc1cn2cc(Cl)ccc2n1)c1ccccc1SC[C@H]1CCCO1 ZINC000061395930 559239651 /nfs/dbraw/zinc/23/96/51/559239651.db2.gz TWPOJSCMYQVWIO-MRXNPFEDSA-N 0 0 402.903 4.616 50 0 HJAARN CCOc1ccc2nc(N3CCC(C(=O)N[C@@H](C)c4ccccc4)CC3)sc2c1 ZINC000005086016 559242944 /nfs/dbraw/zinc/24/29/44/559242944.db2.gz AEFGUHFRFATDPQ-INIZCTEOSA-N 0 0 409.555 4.789 50 0 HJAARN CCOc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)C)cc1OCC ZINC000005099471 559244661 /nfs/dbraw/zinc/24/46/61/559244661.db2.gz IQENJPVEKAICPY-UHFFFAOYSA-N 0 0 410.514 4.672 50 0 HJAARN COC(=O)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccc(OC)c4)=NN32)cc1 ZINC000005139466 559250975 /nfs/dbraw/zinc/25/09/75/559250975.db2.gz JNSIPKVGNDUFPS-LADGPHEKSA-N 0 0 414.461 4.724 50 0 HJAARN Cc1ccc(C)c(S(=O)(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1 ZINC000005137623 559251291 /nfs/dbraw/zinc/25/12/91/559251291.db2.gz XATBHZORXGHAMN-UHFFFAOYSA-N 0 0 406.960 4.601 50 0 HJAARN CCN(C(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2)c1ccc(C)c(C)c1 ZINC000005150544 559253448 /nfs/dbraw/zinc/25/34/48/559253448.db2.gz HMLJFSUHODEAAP-UHFFFAOYSA-N 0 0 411.548 4.986 50 0 HJAARN Cc1cc(C)c2c(nn3c2nc(C)c(CCC(=O)Nc2cccc(Cl)c2)c3C)n1 ZINC000005150907 559253677 /nfs/dbraw/zinc/25/36/77/559253677.db2.gz BLVUVBIDGCPWHP-UHFFFAOYSA-N 0 0 407.905 4.736 50 0 HJAARN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccco2)cc1)NCc1ccco1 ZINC000037555703 559254998 /nfs/dbraw/zinc/25/49/98/559254998.db2.gz KFVJDOUDKQLQJR-UHFFFAOYSA-N 0 0 414.461 4.579 50 0 HJAARN CCCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@H](c1ccc(C)cc1)N(C(=O)CC)CC2 ZINC000037602405 559255687 /nfs/dbraw/zinc/25/56/87/559255687.db2.gz IBBOWLCBDPSULN-NOZRDPDXSA-N 0 0 422.569 4.563 50 0 HJAARN Cc1cc(=O)n2c(-c3cccc(NC(=O)Nc4ccc(F)c(F)c4)c3)csc2n1 ZINC000011769897 559258469 /nfs/dbraw/zinc/25/84/69/559258469.db2.gz YOWNJPIPYJFVGN-UHFFFAOYSA-N 0 0 412.421 4.654 50 0 HJAARN O=C(Nc1ccc(-c2nnc(Nc3ccccc3)s2)cc1)c1ccc2c(c1)OCO2 ZINC000011797012 559259938 /nfs/dbraw/zinc/25/99/38/559259938.db2.gz TYRTZQKJAWNLGD-UHFFFAOYSA-N 0 0 416.462 4.930 50 0 HJAARN CC[C@H](C)OC(=O)c1c(N)n(Cc2ccccc2Cl)c2nc3ccccc3nc12 ZINC000005156573 559260780 /nfs/dbraw/zinc/26/07/80/559260780.db2.gz KJXQVXZGKLMETO-ZDUSSCGKSA-N 0 0 408.889 4.824 50 0 HJAARN Cn1c2ccc(Cl)cc2s/c1=N/C(=O)COc1ccc(Cl)cc1Cl ZINC000011852099 559262035 /nfs/dbraw/zinc/26/20/35/559262035.db2.gz GEDMPZUHHPGYHP-CAPFRKAQSA-N 0 0 401.702 4.706 50 0 HJAARN COc1cccc(N2C(=O)C[C@@H](c3cn(Cc4ccccc4)c4ccccc34)C2=O)c1 ZINC000100750799 559262701 /nfs/dbraw/zinc/26/27/01/559262701.db2.gz WQZMFCZDRSEDAU-QFIPXVFZSA-N 0 0 410.473 4.745 50 0 biogenic HJAARN COc1cc(/C=C/c2ccncc2)ccc1OC(=O)c1ccc(Br)o1 ZINC000011858647 559263223 /nfs/dbraw/zinc/26/32/23/559263223.db2.gz NOMSRFLPPPVXPI-NSCUHMNNSA-N 0 0 400.228 4.835 50 0 HJAARN O=C(c1cc2ccccc2n1Cc1ccccc1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000252536319 559278210 /nfs/dbraw/zinc/27/82/10/559278210.db2.gz IDTHMDWBUCJNHP-PWWKTKHKSA-N 0 0 402.538 4.845 50 0 HJAARN Cc1sc2[nH]c(CSc3nnc(-c4cccs4)n3C3CC3)nc(=O)c2c1C ZINC000005165958 559281575 /nfs/dbraw/zinc/28/15/75/559281575.db2.gz KZAAKAMCENPBSG-UHFFFAOYSA-N 0 0 415.569 4.549 50 0 HJAARN COc1ccc([C@@H]2SCC(=O)Nc3c2cnn3C)cc1OCc1ccccc1F ZINC000061718897 559293207 /nfs/dbraw/zinc/29/32/07/559293207.db2.gz USEXETHJVOCQRP-FQEVSTJZSA-N 0 0 413.474 4.571 50 0 HJAARN Cc1cnn(-c2ccc(C(=O)N(CCc3ccccc3)c3nc(C)cs3)cc2)c1 ZINC000078732971 560540351 /nfs/dbraw/zinc/54/03/51/560540351.db2.gz ZZTXVEDGMPNQFV-UHFFFAOYSA-N 0 0 402.523 4.835 50 0 HJAARN Cc1coc2c1cc1c(C)c(CCC(=O)NCCc3ccc(F)cc3)c(=O)oc1c2C ZINC000005235693 560547980 /nfs/dbraw/zinc/54/79/80/560547980.db2.gz SGWKBYAFFGMDHP-UHFFFAOYSA-N 0 0 421.468 4.895 50 0 HJAARN Cc1oc2c(cc3c(C)c(CC(=O)NCCc4ccccc4F)c(=O)oc3c2C)c1C ZINC000005235704 560548012 /nfs/dbraw/zinc/54/80/12/560548012.db2.gz ANQRLPNRWUWBLB-UHFFFAOYSA-N 0 0 421.468 4.813 50 0 HJAARN Cc1ccc(OCCCCn2c(CCNC(=O)C(C)(C)C)nc3ccccc32)cc1 ZINC000005235884 560548469 /nfs/dbraw/zinc/54/84/69/560548469.db2.gz XDLSPHPSVOPWRN-UHFFFAOYSA-N 0 0 407.558 4.909 50 0 HJAARN COC(=O)c1cccc(CSc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)c1 ZINC000005237620 560548548 /nfs/dbraw/zinc/54/85/48/560548548.db2.gz WTXSYKGUHSDVHT-UHFFFAOYSA-N 0 0 408.504 4.731 50 0 HJAARN CCCCc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-n2cccc2)cc1 ZINC000005242398 560549539 /nfs/dbraw/zinc/54/95/39/560549539.db2.gz KMDJFVSADLPPQY-UHFFFAOYSA-N 0 0 421.526 4.724 50 0 HJAARN CCn1c2ccccc2c2cc(NC(=O)CCn3cnc4ccccc4c3=O)ccc21 ZINC000005245035 560550191 /nfs/dbraw/zinc/55/01/91/560550191.db2.gz MOKPXWFKXYHPIK-UHFFFAOYSA-N 0 0 410.477 4.553 50 0 HJAARN O=C([O-])[C@H](CC(=O)Nc1ccc(Nc2ccccc2)cc1)[NH2+]CCC1=CCCCC1 ZINC000005257987 560550971 /nfs/dbraw/zinc/55/09/71/560550971.db2.gz ROBCOSGWWOTJSX-QFIPXVFZSA-N 0 0 407.514 4.692 50 0 HJAARN COc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2cccc(Cl)c2)cc1OC ZINC000005256261 560552518 /nfs/dbraw/zinc/55/25/18/560552518.db2.gz LPNZTJGUJNDPKP-NRFANRHFSA-N 0 0 411.889 4.796 50 0 HJAARN CC(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)cc1 ZINC000005265209 560553507 /nfs/dbraw/zinc/55/35/07/560553507.db2.gz WUSRZPLHPNOTHH-UHFFFAOYSA-N 0 0 405.454 4.880 50 0 HJAARN CCn1ncc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)c1C ZINC000147163816 560556202 /nfs/dbraw/zinc/55/62/02/560556202.db2.gz VKRFPVDWWWRUGS-XCTIYRFZSA-N 0 0 410.602 4.889 50 0 HJAARN CC(C)CCNC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc12 ZINC000002372588 560559809 /nfs/dbraw/zinc/55/98/09/560559809.db2.gz GNMZMVPADKCDNZ-UHFFFAOYSA-N 0 0 407.905 4.585 50 0 HJAARN CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc3c(c2)CCCC3)C1=O ZINC000005304743 560563113 /nfs/dbraw/zinc/56/31/13/560563113.db2.gz OXIWTFYAYZQEBU-RUZDIDTESA-N 0 0 422.500 4.525 50 0 HJAARN Cc1ccc(/N=c2\scc(-c3cccs3)n2CCCN2CCOCC2)c(C)c1 ZINC000005298941 560564021 /nfs/dbraw/zinc/56/40/21/560564021.db2.gz DQHWHYOHECWVJG-FCQUAONHSA-N 0 0 413.612 4.850 50 0 HJAARN O=c1[nH]c(CSc2nnc(-c3ccco3)n2C2CCCCC2)nc2ccccc12 ZINC000005313055 560564299 /nfs/dbraw/zinc/56/42/99/560564299.db2.gz WJBCZQHGXQNIJF-UHFFFAOYSA-N 0 0 407.499 4.572 50 0 HJAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N1CCCC1)OC1(CCCCC1)CC3 ZINC000062001565 560565784 /nfs/dbraw/zinc/56/57/84/560565784.db2.gz RRTGDWSPUPAOFL-UHFFFAOYSA-N 0 0 409.526 4.684 50 0 biogenic HJAARN C[C@H](CCc1ccccc1)NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 ZINC000005333556 560566729 /nfs/dbraw/zinc/56/67/29/560566729.db2.gz HEHCEWYMVJDOCE-MRXNPFEDSA-N 0 0 424.545 4.649 50 0 HJAARN COc1ccc(-c2nonc2NC(=O)C(c2ccccc2)c2ccccc2)cc1OC ZINC000005354858 560569471 /nfs/dbraw/zinc/56/94/71/560569471.db2.gz MBIFJHRRUKWGRL-UHFFFAOYSA-N 0 0 415.449 4.524 50 0 HJAARN COc1ccc(CN(Cc2ccco2)C(=O)c2cc3cc(OC)c(OC)cc3[nH]2)cc1 ZINC000005345893 560570126 /nfs/dbraw/zinc/57/01/26/560570126.db2.gz LDBZBLJLUOVAKC-UHFFFAOYSA-N 0 0 420.465 4.629 50 0 HJAARN C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000005359306 560571507 /nfs/dbraw/zinc/57/15/07/560571507.db2.gz RNJRHZHCYYOFHI-UONOGXRCSA-N 0 0 410.568 4.800 50 0 HJAARN CCOc1ccc(C(=O)N(C)Cc2cc(Br)ccc2OC)cc1OCC ZINC000005421641 560585152 /nfs/dbraw/zinc/58/51/52/560585152.db2.gz ARTXCFUNLXLTPI-UHFFFAOYSA-N 0 0 422.319 4.527 50 0 HJAARN COc1cc(OC)cc(-c2nnc(S[C@H](C)C(=O)c3ccc4c(c3)CCC4)o2)c1 ZINC000005435343 560586738 /nfs/dbraw/zinc/58/67/38/560586738.db2.gz GXOUIZOHWGEOPQ-CYBMUJFWSA-N 0 0 410.495 4.606 50 0 HJAARN C[C@H](NC(=O)c1ccccc1I)C12CC3CC(CC(C3)C1)C2 ZINC000005443987 560587996 /nfs/dbraw/zinc/58/79/96/560587996.db2.gz CMRONBPCJAEZIO-UHSVVUDUSA-N 0 0 409.311 4.626 50 0 HJAARN O=C(c1ccc(Cl)cc1Cl)N1C(=O)C(=Cc2ccccc2Cl)NC1=S ZINC000003308352 560591877 /nfs/dbraw/zinc/59/18/77/560591877.db2.gz WZKXQTHITJPRQT-AUWJEWJLSA-N 0 0 411.697 4.545 50 0 HJAARN COc1ccccc1NC(=O)[C@H](C)OC(=O)CSc1cc(Cl)ccc1Cl ZINC000005468235 560592343 /nfs/dbraw/zinc/59/23/43/560592343.db2.gz FDVDDMTWZWPZDB-NSHDSACASA-N 0 0 414.310 4.665 50 0 HJAARN O=c1[nH]c(CSc2nnc(-c3cccs3)n2-c2ccccc2)nc2ccccc21 ZINC000003360727 560593040 /nfs/dbraw/zinc/59/30/40/560593040.db2.gz FTQSNDHEBOYRSF-UHFFFAOYSA-N 0 0 417.519 4.525 50 0 HJAARN O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000003337004 560593458 /nfs/dbraw/zinc/59/34/58/560593458.db2.gz FJKPOGOGJFNJNM-KONDSOJQSA-N 0 0 410.473 4.858 50 0 HJAARN COc1ccc(C(=O)NCC(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)cc1 ZINC000003346898 560593865 /nfs/dbraw/zinc/59/38/65/560593865.db2.gz WOKKIUFAFOQXED-UHFFFAOYSA-N 0 0 420.534 4.832 50 0 HJAARN CCCSc1nnc(SCCC(=O)Nc2ccc(OC)c(Cl)c2)s1 ZINC000003446975 560595128 /nfs/dbraw/zinc/59/51/28/560595128.db2.gz GAYXGSIWBQQBHA-UHFFFAOYSA-N 0 0 403.982 4.823 50 0 HJAARN COc1ccc(-n2c(SCC(=O)C(C)(C)C)nc3ccccc3c2=O)cc1Cl ZINC000003563729 560596529 /nfs/dbraw/zinc/59/65/29/560596529.db2.gz XUWXKHLTXCGYKL-UHFFFAOYSA-N 0 0 416.930 4.755 50 0 HJAARN COc1ccc2c(c1)c1nc3n(c(=O)c1n2Cc1ccccc1Cl)CCCS3 ZINC000005484582 560597014 /nfs/dbraw/zinc/59/70/14/560597014.db2.gz QDQDOQZOWFAQPV-UHFFFAOYSA-N 0 0 411.914 4.557 50 0 HJAARN C[C@@H](Sc1nnc(Cc2ccccc2)n1C)C(=O)c1ccc(Br)cc1 ZINC000005499421 560598273 /nfs/dbraw/zinc/59/82/73/560598273.db2.gz DWKTZLZYWFEHLQ-CYBMUJFWSA-N 0 0 416.344 4.532 50 0 HJAARN Clc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@@H](c1cccnc1)N1NC=NC1=N2 ZINC000005516537 560604525 /nfs/dbraw/zinc/60/45/25/560604525.db2.gz PWKDSKMQHOTDTE-YADHBBJMSA-N 0 0 413.868 4.539 50 0 HJAARN O=C(Cc1ccccc1)NCCc1nc2ccccc2n1Cc1ccccc1Cl ZINC000005545834 560607509 /nfs/dbraw/zinc/60/75/09/560607509.db2.gz XOQLXXGGPPTHBZ-UHFFFAOYSA-N 0 0 403.913 4.639 50 0 HJAARN C[C@@H](NC(=O)COc1ccccc1)c1nc2ccccc2n1Cc1ccccc1Cl ZINC000005545781 560607521 /nfs/dbraw/zinc/60/75/21/560607521.db2.gz BZVAAUQALCZYEC-QGZVFWFLSA-N 0 0 419.912 4.994 50 0 HJAARN O=C([C@@H](Sc1nnc(-c2cccs2)n1C1CC1)c1ccccc1)N1CCCC1 ZINC000005565470 560616065 /nfs/dbraw/zinc/61/60/65/560616065.db2.gz JDQIPTNWIQCODW-SFHVURJKSA-N 0 0 410.568 4.797 50 0 HJAARN O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1ccc2c(c1)OCO2 ZINC000005447328 560626500 /nfs/dbraw/zinc/62/65/00/560626500.db2.gz FTAYFDVYVOOQLI-UHFFFAOYSA-N 0 0 405.494 4.901 50 0 HJAARN CCOc1ccc(N[C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)cc1CO ZINC000062581345 560632004 /nfs/dbraw/zinc/63/20/04/560632004.db2.gz CEBRRYRPPLQCDC-DEOSSOPVSA-N 0 0 420.509 4.687 50 0 HJAARN CCCC(=O)N1CCC(OC(=O)c2ccc(-c3nc4ccccc4s3)s2)CC1 ZINC000062581792 560632051 /nfs/dbraw/zinc/63/20/51/560632051.db2.gz BHUUEONJCQBIFP-UHFFFAOYSA-N 0 0 414.552 4.973 50 0 HJAARN C[C@@H](NC(=O)c1csc(-c2cccc(Cl)c2)n1)c1ccc(-n2cncn2)cc1 ZINC000062640066 560636741 /nfs/dbraw/zinc/63/67/41/560636741.db2.gz VGWCFIGGAWAUOJ-CYBMUJFWSA-N 0 0 409.902 4.535 50 0 HJAARN Nc1nc(SCC(=O)Nc2cc(Cl)ccc2F)nc2sc3c(c21)CCCC3 ZINC000008747171 560638246 /nfs/dbraw/zinc/63/82/46/560638246.db2.gz DUUFUKNKAGWVDV-UHFFFAOYSA-N 0 0 422.938 4.676 50 0 HJAARN Nc1c(Cl)c(Cl)nc(C(=O)OCc2ccc(Br)cc2)c1Cl ZINC000014704462 560640532 /nfs/dbraw/zinc/64/05/32/560640532.db2.gz UKKCHFCRVYSVEQ-UHFFFAOYSA-N 0 0 410.482 4.744 50 0 HJAARN CCCCN(C)c1nc2c(cnn2-c2ccccc2)c(Nc2ccc(OC)cc2)n1 ZINC000017270234 560706555 /nfs/dbraw/zinc/70/65/55/560706555.db2.gz BQAQGXWPYCKFJJ-UHFFFAOYSA-N 0 0 402.502 4.804 50 0 HJAARN CCOCCCNc1nc2c(cnn2-c2ccccc2)c(Nc2ccc(C)cc2)n1 ZINC000017306901 560707325 /nfs/dbraw/zinc/70/73/25/560707325.db2.gz UHJRTRCWLXFLSZ-UHFFFAOYSA-N 0 0 402.502 4.706 50 0 HJAARN CCOc1ccc(-c2cc3c(=O)n(Cc4cccc(C(F)(F)F)c4)ccn3n2)cc1 ZINC000017314888 560708118 /nfs/dbraw/zinc/70/81/18/560708118.db2.gz PMNPCCIDJXRCCM-UHFFFAOYSA-N 0 0 413.399 4.629 50 0 HJAARN CCSc1nc2n(n1)[C@@H](c1ccccc1)C(C(=O)Nc1ccccc1C)=C(C)N2 ZINC000017316860 560708669 /nfs/dbraw/zinc/70/86/69/560708669.db2.gz XWMNIPOWTUINRZ-IBGZPJMESA-N 0 0 405.527 4.626 50 0 HJAARN C[C@H]1CCN(C(=O)c2ccccc2I)c2ccccc2S1 ZINC000017525250 560718164 /nfs/dbraw/zinc/71/81/64/560718164.db2.gz SMXBMPRRTQJWED-LBPRGKRZSA-N 0 0 409.292 4.822 50 0 HJAARN Cc1ccc(OCc2nc(CC(=O)Nc3cnc4c(cnn4C(C)C)c3)cs2)cc1 ZINC000017574874 560719701 /nfs/dbraw/zinc/71/97/01/560719701.db2.gz FALIWRMYBVVOOA-UHFFFAOYSA-N 0 0 421.526 4.537 50 0 HJAARN O=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 ZINC000000994322 560726823 /nfs/dbraw/zinc/72/68/23/560726823.db2.gz GVWITSQPJIXWMJ-UHFFFAOYSA-N 0 0 402.313 4.517 50 0 HJAARN CC(C)Oc1cccc(C(=O)Nc2ccc(I)cc2Cl)c1 ZINC000001154547 560727369 /nfs/dbraw/zinc/72/73/69/560727369.db2.gz AVQBSTXELQYFAH-UHFFFAOYSA-N 0 0 415.658 4.984 50 0 HJAARN COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1Br ZINC000001206794 560727809 /nfs/dbraw/zinc/72/78/09/560727809.db2.gz UIUHAQILPHVBQC-UHFFFAOYSA-N 0 0 411.104 4.565 50 0 HJAARN O=S(=O)(c1ccc(Br)cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000001227380 560728015 /nfs/dbraw/zinc/72/80/15/560728015.db2.gz FNHBOLAZAGOTOQ-UHFFFAOYSA-N 0 0 416.340 4.840 50 0 HJAARN CCOC(=O)c1ccc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)cc1 ZINC000001123480 560728163 /nfs/dbraw/zinc/72/81/63/560728163.db2.gz ZVASQWDBDIZZNZ-UHFFFAOYSA-N 0 0 413.429 4.889 50 0 HJAARN O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2ccccc2Oc2ccccc2)C1 ZINC000017823257 560728992 /nfs/dbraw/zinc/72/89/92/560728992.db2.gz IZJMFNVVBCQUHM-LJQANCHMSA-N 0 0 400.478 4.970 50 0 HJAARN O=C(NCc1ccc([C@H](O)c2ccco2)s1)C1c2ccccc2Oc2ccccc21 ZINC000206684939 560729561 /nfs/dbraw/zinc/72/95/61/560729561.db2.gz WFSJYQCAYWEMTC-HSZRJFAPSA-N 0 0 417.486 4.977 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000017917366 560730580 /nfs/dbraw/zinc/73/05/80/560730580.db2.gz QTSFBZQEPRGVLH-UHFFFAOYSA-N 0 0 416.308 4.637 50 0 HJAARN O=C(NNc1ccc(F)cc1)c1ccc(Oc2ccc(F)cc2Br)nc1 ZINC000084414732 560740468 /nfs/dbraw/zinc/74/04/68/560740468.db2.gz IDXPMWZYQCTLDZ-UHFFFAOYSA-N 0 0 420.213 4.672 50 0 HJAARN Cc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)cc1 ZINC000006614641 560744355 /nfs/dbraw/zinc/74/43/55/560744355.db2.gz VORMDQPSEJNTRX-UHFFFAOYSA-N 0 0 413.521 4.518 50 0 HJAARN O=C(CCc1ccc(Cl)c(C(F)(F)F)c1)NC[C@@H]1CCCN1c1nccs1 ZINC000206779413 560746514 /nfs/dbraw/zinc/74/65/14/560746514.db2.gz ICAZTZBMCVGATB-ZDUSSCGKSA-N 0 0 417.884 4.533 50 0 HJAARN COc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccc(C)c3)n2C(C)C)cc1 ZINC000008388825 560754541 /nfs/dbraw/zinc/75/45/41/560754541.db2.gz JTBCXSQQGVYMJB-INIZCTEOSA-N 0 0 410.543 4.962 50 0 HJAARN CCOc1cc(/C=C2/N=C(c3ccccc3OC(F)F)OC2=O)cc(Cl)c1OC ZINC000097987616 560758062 /nfs/dbraw/zinc/75/80/62/560758062.db2.gz OYMCSEVRNNLVHJ-NTEUORMPSA-N 0 0 423.799 4.693 50 0 HJAARN CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)c1ccccc1 ZINC000009327928 560758611 /nfs/dbraw/zinc/75/86/11/560758611.db2.gz JVBMIJGFLUNOJM-UHFFFAOYSA-N 0 0 407.539 4.731 50 0 HJAARN COc1ccc([C@@H]2CCCCCN2C(=O)Cc2csc(-c3ccccn3)n2)cc1 ZINC000024393137 560773158 /nfs/dbraw/zinc/77/31/58/560773158.db2.gz UHTMMFOAKCPRRD-NRFANRHFSA-N 0 0 407.539 4.900 50 0 HJAARN COc1ccc2nc(-c3cccc(NC(=O)c4ccccc4C(F)(F)F)c3)cn2n1 ZINC000011693397 560773544 /nfs/dbraw/zinc/77/35/44/560773544.db2.gz MSSGBYPCBSWACN-UHFFFAOYSA-N 0 0 412.371 4.676 50 0 HJAARN COc1ccc(CC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1F ZINC000018083856 560774954 /nfs/dbraw/zinc/77/49/54/560774954.db2.gz UCBZZSSCEDNHSA-INIZCTEOSA-N 0 0 406.457 4.507 50 0 HJAARN COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Cl)c1O ZINC000005675360 560775730 /nfs/dbraw/zinc/77/57/30/560775730.db2.gz WBTSVYMNMGLOOC-NVNXTCNLSA-N 0 0 410.278 4.944 50 0 HJAARN CCOc1c(Cl)cc(C(=O)N(C)Cc2ccc(Br)s2)cc1OC ZINC000018107425 560775856 /nfs/dbraw/zinc/77/58/56/560775856.db2.gz FMGRXFHWHRFERW-UHFFFAOYSA-N 0 0 418.740 4.844 50 0 HJAARN C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000005676835 560776058 /nfs/dbraw/zinc/77/60/58/560776058.db2.gz OVWPXQNWLNRNPN-INIZCTEOSA-N 0 0 412.445 4.629 50 0 HJAARN Cc1nc(C(=O)N(C)Cc2ccc(-c3ccc(Cl)cc3)o2)nn1-c1ccc(F)cc1 ZINC000018130658 560779479 /nfs/dbraw/zinc/77/94/79/560779479.db2.gz NCDKOFRTERXSPK-UHFFFAOYSA-N 0 0 424.863 4.900 50 0 HJAARN COc1ccc(-c2nnc(NC(=O)Cc3ccc(Cl)c(Cl)c3)s2)cc1OC ZINC000018193842 560782237 /nfs/dbraw/zinc/78/22/37/560782237.db2.gz XHOJCRDBDIRPFG-UHFFFAOYSA-N 0 0 424.309 4.710 50 0 HJAARN COc1ccc(Br)cc1Cn1cnc2c(Cl)cc(Cl)cc2c1=O ZINC000018265699 560785745 /nfs/dbraw/zinc/78/57/45/560785745.db2.gz IEYVPLIEZZXZMN-UHFFFAOYSA-N 0 0 414.086 4.523 50 0 HJAARN COc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(OC)cc3)s2)cc1 ZINC000012935568 560789736 /nfs/dbraw/zinc/78/97/36/560789736.db2.gz FIDPIOZULLQOGT-WJDWOHSUSA-N 0 0 401.875 4.545 50 0 HJAARN CSc1ccc([C@@H]2CC(c3ccc(Br)s3)=Nc3ncnn32)cc1 ZINC000101353417 560792163 /nfs/dbraw/zinc/79/21/63/560792163.db2.gz ZJZCFTPVKYLFMG-ZDUSSCGKSA-N 0 0 405.346 4.880 50 0 HJAARN CC(C)CC(=O)Nc1nc2n(n1)[C@H](c1ccccc1Cl)CC(c1ccccc1)=N2 ZINC000101836674 560803660 /nfs/dbraw/zinc/80/36/60/560803660.db2.gz 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COc1ccc([C@@H]2Nc3nonc3N=C3C[C@@H](c4ccccc4)CC(=O)C32)c(OC)c1 ZINC000102744675 560823916 /nfs/dbraw/zinc/82/39/16/560823916.db2.gz RVKLIFYUEGXMPQ-SZNDQCEHSA-N 0 0 418.453 4.716 50 0 HJAARN COc1ccc([C@@H]2Nc3nonc3N=C3C[C@H](c4ccccc4)CC(=O)C32)c(OC)c1 ZINC000102744681 560823957 /nfs/dbraw/zinc/82/39/57/560823957.db2.gz RVKLIFYUEGXMPQ-QKKBWIMNSA-N 0 0 418.453 4.716 50 0 HJAARN CSc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000104024931 560847747 /nfs/dbraw/zinc/84/77/47/560847747.db2.gz OAYSFNIUKWYOAQ-UHFFFAOYSA-N 0 0 414.567 4.641 50 0 HJAARN C[C@H](NC(=O)COC(=O)/C=C/c1cccc2cccnc12)c1cccc2ccccc21 ZINC000014812652 560852666 /nfs/dbraw/zinc/85/26/66/560852666.db2.gz AVIZYQISZHKCHG-JJJPLKNQSA-N 0 0 410.473 4.822 50 0 HJAARN CCOc1ccc2nc(N3CCC[C@H](C(=O)N[C@H]4CCCC[C@H]4C)C3)sc2c1 ZINC000245258129 560855027 /nfs/dbraw/zinc/85/50/27/560855027.db2.gz KQDSNZXKAKIRTD-RYRKJORJSA-N 0 0 401.576 4.606 50 0 HJAARN C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)Nc1ccc(F)cc1 ZINC000005333270 560855049 /nfs/dbraw/zinc/85/50/49/560855049.db2.gz VLSZUFLRAGDXRY-LBPRGKRZSA-N 0 0 400.454 4.678 50 0 HJAARN CC(C)Oc1ccc(CNC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cc1 ZINC000051315831 560856166 /nfs/dbraw/zinc/85/61/66/560856166.db2.gz ZJIDGANRKALDFZ-UHFFFAOYSA-N 0 0 414.303 4.556 50 0 HJAARN C[C@@H]1CCC[C@@H](NC(=O)CN2C(=O)/C(=C/c3ccccc3F)Oc3ccccc32)[C@H]1C ZINC000105450956 560872473 /nfs/dbraw/zinc/87/24/73/560872473.db2.gz JIPISVFKIMZGIU-XIZAQAEBSA-N 0 0 422.500 4.533 50 0 HJAARN CSCC[C@H](NC(=O)COc1ccc(Cl)c(C)c1)c1nc2ccccc2[nH]1 ZINC000006506531 560876316 /nfs/dbraw/zinc/87/63/16/560876316.db2.gz VQJPLKVGDKVWEW-SFHVURJKSA-N 0 0 403.935 4.514 50 0 HJAARN Cc1cccc(C)c1NC(=O)COC(=O)CCCSc1nc2ccccc2s1 ZINC000006510886 560877854 /nfs/dbraw/zinc/87/78/54/560877854.db2.gz QBCZGWKEQFLNTQ-UHFFFAOYSA-N 0 0 414.552 4.967 50 0 HJAARN CCc1ccccc1NC(=O)NCCn1c(-c2ccc(F)cc2)nc2cccnc21 ZINC000046913302 560878774 /nfs/dbraw/zinc/87/87/74/560878774.db2.gz VWKXOFJXNWPICJ-UHFFFAOYSA-N 0 0 403.461 4.622 50 0 HJAARN Cc1ccc(-c2nc3cccnc3n2CCNC(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000046913422 560878833 /nfs/dbraw/zinc/87/88/33/560878833.db2.gz SIKZPMIQOZFBCA-UHFFFAOYSA-N 0 0 403.461 4.676 50 0 HJAARN Cc1c(C(=O)OCc2ccccc2Cl)nnn1-c1ccc(Br)c(C)c1 ZINC000046914093 560879018 /nfs/dbraw/zinc/87/90/18/560879018.db2.gz MHUKLPZNLAMSMQ-UHFFFAOYSA-N 0 0 420.694 4.657 50 0 HJAARN CCCOc1ccc(-c2nonc2NC(=O)COc2ccc(Cl)cc2C)cc1 ZINC000012062632 560888022 /nfs/dbraw/zinc/88/80/22/560888022.db2.gz IJNTWVBRJNJONK-UHFFFAOYSA-N 0 0 401.850 4.505 50 0 HJAARN CCCOc1ccc(-c2nonc2NC(=O)c2ccccc2Br)cc1 ZINC000012062621 560888043 /nfs/dbraw/zinc/88/80/43/560888043.db2.gz BLHIJRXEVQYQMS-UHFFFAOYSA-N 0 0 402.248 4.540 50 0 HJAARN Cc1ccc(C)c(OCCSc2nc3ccccc3n2CC(=O)N2CCCCC2)c1 ZINC000012062287 560888325 /nfs/dbraw/zinc/88/83/25/560888325.db2.gz XGZFVWITAOKTNY-UHFFFAOYSA-N 0 0 423.582 4.837 50 0 HJAARN O=C(NCc1nc2ccccc2c(NCCCc2ccccc2)n1)[C@H]1CC12CCCC2 ZINC000012099935 560889018 /nfs/dbraw/zinc/88/90/18/560889018.db2.gz VCLPQBSIIXDELJ-OAQYLSRUSA-N 0 0 414.553 4.871 50 0 HJAARN COc1ccc(CNc2oc(/C=C/c3ccccc3)nc2P(=O)(OC)OC)cc1 ZINC000012111480 560889349 /nfs/dbraw/zinc/88/93/49/560889349.db2.gz JPWDFHXOONZNNX-SDNWHVSQSA-N 0 0 414.398 4.577 50 0 HJAARN Cc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4C)c(O)c3ON2c2ccccc2)cc1 ZINC000101010913 568417847 /nfs/dbraw/zinc/41/78/47/568417847.db2.gz QBVBZOBHRWSSFE-VXNXHJTFSA-N 0 0 412.489 4.663 50 0 HJAARN Cc1c(C(=O)OCc2ccc(C)cc2C)nnn1-c1ccc(Br)c(C)c1 ZINC000045900494 568421428 /nfs/dbraw/zinc/42/14/28/568421428.db2.gz YDQOMUZLDUOJIZ-UHFFFAOYSA-N 0 0 414.303 4.620 50 0 HJAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000045942633 568422539 /nfs/dbraw/zinc/42/25/39/568422539.db2.gz DJKHJSUNSJBAQW-NRFANRHFSA-N 0 0 406.869 4.796 50 0 HJAARN COc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000046012215 568423402 /nfs/dbraw/zinc/42/34/02/568423402.db2.gz DPSQTTMSJVDNTK-UHFFFAOYSA-N 0 0 419.412 4.569 50 0 HJAARN COc1ccc(CC(=O)Nc2c(=O)oc3ccccc3c2NC2CCCCC2)cc1 ZINC000046004727 568423508 /nfs/dbraw/zinc/42/35/08/568423508.db2.gz NKHHYTYULMACMK-UHFFFAOYSA-N 0 0 406.482 4.727 50 0 HJAARN CCOC(=O)c1ccc(Nc2c3c(nc4nc(-c5ccccc5)nn42)CCCC3)cc1 ZINC000046022769 568424184 /nfs/dbraw/zinc/42/41/84/568424184.db2.gz PLGGFCOALQRXRU-UHFFFAOYSA-N 0 0 413.481 4.590 50 0 HJAARN COc1ccc(CCNC(=O)c2ccc3c(c2)nc2c(c3Cl)CCCC2)c(OC)c1 ZINC000004958676 568427340 /nfs/dbraw/zinc/42/73/40/568427340.db2.gz OBWOSWDBQUVHCY-UHFFFAOYSA-N 0 0 424.928 4.757 50 0 HJAARN CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)C(=O)Nc1cc(Cl)ccc1O2 ZINC000046077430 568427393 /nfs/dbraw/zinc/42/73/93/568427393.db2.gz CBTIFLGRQPRJCZ-UHFFFAOYSA-N 0 0 414.870 4.523 50 0 HJAARN COc1cc2c(cc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)OCCCO2 ZINC000046077904 568427498 /nfs/dbraw/zinc/42/74/98/568427498.db2.gz WFWSNANXHKXDOQ-UHFFFAOYSA-N 0 0 401.768 4.781 50 0 HJAARN Cc1nn(C)c(C)c1CN(C(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000046086963 568428230 /nfs/dbraw/zinc/42/82/30/568428230.db2.gz IADKCBISJWLQLY-UHFFFAOYSA-N 0 0 418.324 4.956 50 0 HJAARN Cc1nc(C)c(-c2nnc(SCc3cc(Cl)c4c(c3)OCCCO4)o2)s1 ZINC000048231254 568433405 /nfs/dbraw/zinc/43/34/05/568433405.db2.gz NFKAQGCNZFLNTH-UHFFFAOYSA-N 0 0 409.920 4.917 50 0 HJAARN O=C(c1cccc(S(=O)(=O)Nc2ccccc2F)c1)N(C1CC1)C1CCCCC1 ZINC000048264930 568433950 /nfs/dbraw/zinc/43/39/50/568433950.db2.gz QBTFTPJTVGYFOF-UHFFFAOYSA-N 0 0 416.518 4.564 50 0 HJAARN C[C@@H](Sc1ccc(Br)cn1)C(=O)Nc1cccc(Br)c1 ZINC000048303413 568436158 /nfs/dbraw/zinc/43/61/58/568436158.db2.gz DKNKUOGWXZBNHM-SECBINFHSA-N 0 0 416.138 4.726 50 0 HJAARN COc1ccc(CN(CC(=O)Nc2ccnn2C2CCCC2)Cc2ccccc2)cc1 ZINC000048324147 568438056 /nfs/dbraw/zinc/43/80/56/568438056.db2.gz MWJKUHICQOVANA-UHFFFAOYSA-N 0 0 418.541 4.648 50 0 HJAARN CC(C)[C@H](NC(=O)Nc1cc2c(cc1Br)OCCO2)c1cccs1 ZINC000048314687 568438074 /nfs/dbraw/zinc/43/80/74/568438074.db2.gz KQOCENVPJHGTNN-INIZCTEOSA-N 0 0 411.321 4.801 50 0 HJAARN CCn1c(S[C@H](C(=O)N(C)c2ccccc2)C(C)C)nnc1-c1ccccc1OC ZINC000048324330 568438252 /nfs/dbraw/zinc/43/82/52/568438252.db2.gz VQZGDWYFKSBYCT-FQEVSTJZSA-N 0 0 424.570 4.753 50 0 HJAARN O=C(Nc1cccc(OC(F)(F)F)c1)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364543 568438267 /nfs/dbraw/zinc/43/82/67/568438267.db2.gz SVRUDYKZDHEBLN-KRWDZBQOSA-N 0 0 414.383 4.744 50 0 HJAARN O=S(=O)(Cc1ncc(-c2ccccc2)o1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000048332309 568439989 /nfs/dbraw/zinc/43/99/89/568439989.db2.gz RPNZCLCKXMCHGF-UHFFFAOYSA-N 0 0 401.793 4.988 50 0 HJAARN Cc1ccc2c(ncc(C(=O)N3CCSCC3)c2Nc2ccc(C)c(Cl)c2)n1 ZINC000049004903 568444252 /nfs/dbraw/zinc/44/42/52/568444252.db2.gz RXXPZSHLHJDRNP-UHFFFAOYSA-N 0 0 412.946 4.833 50 0 HJAARN O=C(NCCC1=CCCCC1)c1ccc(Oc2nccnc2N2CCCCC2)cc1 ZINC000049005969 568444588 /nfs/dbraw/zinc/44/45/88/568444588.db2.gz QOZKONZUMSPURN-UHFFFAOYSA-N 0 0 406.530 4.880 50 0 HJAARN O=C(CCCn1cnc(-c2ccccc2)cc1=O)Nc1nc2ccc(Cl)cc2s1 ZINC000049028179 568445723 /nfs/dbraw/zinc/44/57/23/568445723.db2.gz HOQZYACORMROPP-UHFFFAOYSA-N 0 0 424.913 4.592 50 0 HJAARN Cc1cc(C)cc(NC(=O)CSc2ccc(-n3cnc(-c4ccccc4)c3)nn2)c1 ZINC000049401213 568447789 /nfs/dbraw/zinc/44/77/89/568447789.db2.gz LHOGNZNSJOUFDM-UHFFFAOYSA-N 0 0 415.522 4.677 50 0 HJAARN O=C(Nc1cccc(F)c1)c1cn(Cc2ccc(NC(=O)c3ccccc3)cc2)cn1 ZINC000049421941 568450715 /nfs/dbraw/zinc/45/07/15/568450715.db2.gz RZQROGWAOKCWLW-UHFFFAOYSA-N 0 0 414.440 4.575 50 0 HJAARN O=C(NCc1ccc(Cl)cc1)N1CCC(Oc2nc3c(cccc3F)s2)CC1 ZINC000049443060 568451035 /nfs/dbraw/zinc/45/10/35/568451035.db2.gz HKEFPQZNNNPMLW-UHFFFAOYSA-N 0 0 419.909 4.842 50 0 HJAARN O=C(Cc1cc(Cl)c2c(c1)OCCCO2)N1CCCCC[C@@H]1c1ccncc1 ZINC000049764323 568453356 /nfs/dbraw/zinc/45/33/56/568453356.db2.gz OIZVHXGAEOUOJY-LJQANCHMSA-N 0 0 400.906 4.583 50 0 HJAARN CCc1ccc(S(=O)(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000005137596 568454364 /nfs/dbraw/zinc/45/43/64/568454364.db2.gz UZRDXGVJPFQDQN-UHFFFAOYSA-N 0 0 406.960 4.547 50 0 HJAARN O=C(c1cc(Oc2ccc(Cl)c(Cl)c2)nc2ccccc21)N1CCOCC1 ZINC000006584264 568456075 /nfs/dbraw/zinc/45/60/75/568456075.db2.gz 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CCc1cccc(CC)c1N[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000006804076 568459935 /nfs/dbraw/zinc/45/99/35/568459935.db2.gz MZHUIBCLJVGGIC-HSZRJFAPSA-N 0 0 408.567 4.943 50 0 HJAARN COc1cc(/C=C2\N=C(c3cccc4ccccc43)OC2=O)ccc1OC(=O)C(C)C ZINC000000673064 568461047 /nfs/dbraw/zinc/46/10/47/568461047.db2.gz ZYWUUXOSINWGQB-MOSHPQCFSA-N 0 0 415.445 4.754 50 0 HJAARN COC(=O)c1c(NC(=O)c2cccnc2Cl)sc(C)c1-c1ccc(OC)cc1 ZINC000000676046 568461230 /nfs/dbraw/zinc/46/12/30/568461230.db2.gz CXHSSEBKKISXDR-UHFFFAOYSA-N 0 0 416.886 4.819 50 0 HJAARN Cc1ccc(-n2cnnc2SCC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1Cl ZINC000024751164 568461298 /nfs/dbraw/zinc/46/12/98/568461298.db2.gz XSXBUBUELCQDKG-CYBMUJFWSA-N 0 0 421.353 4.852 50 0 HJAARN COc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NC(=O)C3CCC3)cc2)n1 ZINC000000693626 568462292 /nfs/dbraw/zinc/46/22/92/568462292.db2.gz UMSIDDPBJQISBB-UHFFFAOYSA-N 0 0 416.403 4.700 50 0 HJAARN COc1nc(-c2ccccc2C)n(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 ZINC000000696833 568462312 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CCOc1ccc(Nc2nc(NCCC3=CCCCC3)nc(N3CCCC3)n2)cc1 ZINC000000756814 568472381 /nfs/dbraw/zinc/47/23/81/568472381.db2.gz KJKGFEPTIATPMM-UHFFFAOYSA-N 0 0 408.550 4.917 50 0 HJAARN COc1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 ZINC000000786664 568476629 /nfs/dbraw/zinc/47/66/29/568476629.db2.gz VBBGXEAZNVLLFU-DEOSSOPVSA-N 0 0 418.518 4.722 50 0 HJAARN CC(=O)N(c1nc(COC(=O)c2c[nH]c3ccccc32)cs1)c1ccccc1F ZINC000007509159 568481544 /nfs/dbraw/zinc/48/15/44/568481544.db2.gz XKOMUWUMXVFHSS-UHFFFAOYSA-N 0 0 409.442 4.805 50 0 HJAARN CCn1cc(C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c(=O)c2ccc(C)nc21 ZINC000007777797 568484526 /nfs/dbraw/zinc/48/45/26/568484526.db2.gz DWVHRVDWMFVVGP-UHFFFAOYSA-N 0 0 421.516 4.839 50 0 HJAARN O=C(NC1CCCCCC1)C1CCN(c2ccc(-c3ccc(Cl)cc3)nn2)CC1 ZINC000022491979 568486516 /nfs/dbraw/zinc/48/65/16/568486516.db2.gz MMLBLGONUHIJMC-UHFFFAOYSA-N 0 0 412.965 4.852 50 0 HJAARN Cc1cc(C(=O)N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)sc1C ZINC000024921677 568486951 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COC(=O)CN1C(C)=Nc2ccc(Br)cc2[C@H]1c1ccccc1Cl ZINC000000831827 568507951 /nfs/dbraw/zinc/50/79/51/568507951.db2.gz JFJDDFYRSYRPDO-GOSISDBHSA-N 0 0 407.695 4.730 50 0 HJAARN Cc1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000012361520 568509599 /nfs/dbraw/zinc/50/95/99/568509599.db2.gz MCHQPFYNRVLUKK-HXUWFJFHSA-N 0 0 421.349 4.897 50 0 HJAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Oc3ccc4sc(=O)oc4c3)cc12 ZINC000033069254 568510957 /nfs/dbraw/zinc/51/09/57/568510957.db2.gz JXXNANKHYWMSQD-UHFFFAOYSA-N 0 0 408.460 4.783 50 0 HJAARN Cc1oc(-c2ccc(C)cc2)nc1CN1CCN(C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000033085157 568511006 /nfs/dbraw/zinc/51/10/06/568511006.db2.gz BDANGTNIWSHMRG-UHFFFAOYSA-N 0 0 418.541 4.925 50 0 HJAARN Cc1oc(-c2ccc(C)cc2)nc1CN1CCN(C(=O)Nc2cccc(C)c2C)CC1 ZINC000033085151 568511124 /nfs/dbraw/zinc/51/11/24/568511124.db2.gz NUFAJXDEIYXBLS-UHFFFAOYSA-N 0 0 418.541 4.925 50 0 HJAARN Cc1nc(-c2cc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c(C)s2)sc1C ZINC000033169494 568511569 /nfs/dbraw/zinc/51/15/69/568511569.db2.gz PYXHWFTYVDJACQ-LLVKDONJSA-N 0 0 404.582 4.937 50 0 HJAARN O=S(=O)(NCCC1=CCCCC1)c1cc(-c2cc(C(F)(F)F)on2)cs1 ZINC000033173684 568511677 /nfs/dbraw/zinc/51/16/77/568511677.db2.gz ANVFCJGZKDVWNU-UHFFFAOYSA-N 0 0 406.451 4.591 50 0 HJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=S)NC(=O)c1ccccc1 ZINC000000835764 568513591 /nfs/dbraw/zinc/51/35/91/568513591.db2.gz PABGWMBDDGWIEB-UHFFFAOYSA-N 0 0 410.520 4.719 50 0 aggregator HJAARN CSc1nc(C)c(CCC(=O)Nc2ccc(Br)cc2Cl)c(C)n1 ZINC000024969153 568515880 /nfs/dbraw/zinc/51/58/80/568515880.db2.gz FDRXOMYLTAZTHN-UHFFFAOYSA-N 0 0 414.756 4.803 50 0 HJAARN Cc1ccc(Cl)cc1N1CCN(c2cc3c(nn2)Oc2ccccc2N3C)CC1 ZINC000020177854 568592879 /nfs/dbraw/zinc/59/28/79/568592879.db2.gz FJRQHZFPPIYKLR-UHFFFAOYSA-N 0 0 407.905 4.639 50 0 HJAARN C[C@H](NC(=O)c1ccccc1F)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020288448 568597452 /nfs/dbraw/zinc/59/74/52/568597452.db2.gz PSTXPRDTIYBNSR-MBSDFSHPSA-N 0 0 423.557 4.569 50 0 HJAARN C[C@@H](NC(=O)c1cccc(F)c1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020288453 568597597 /nfs/dbraw/zinc/59/75/97/568597597.db2.gz IKRAOXRPOHZFJZ-JPYJTQIMSA-N 0 0 423.557 4.569 50 0 HJAARN C[C@@H](NC(=O)Oc1ccccc1)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020288521 568597781 /nfs/dbraw/zinc/59/77/81/568597781.db2.gz JFUMCMXUZNHAFC-AUSIDOKSSA-N 0 0 421.566 4.789 50 0 HJAARN Cc1ccc2nc(-c3ccccc3)c(CN3CCN(c4ccccc4F)CC3)n2c1 ZINC000020366666 568601361 /nfs/dbraw/zinc/60/13/61/568601361.db2.gz LJYNXMMMAARRQC-UHFFFAOYSA-N 0 0 400.501 4.771 50 0 HJAARN CC(=O)c1cccc(NC(=O)C(=O)N[C@H](CC(C)C)c2ccccc2OCC(C)C)c1 ZINC000095405974 568606130 /nfs/dbraw/zinc/60/61/30/568606130.db2.gz ZLHDWNBAIMFAIT-JOCHJYFZSA-N 0 0 424.541 4.766 50 0 HJAARN Cn1c(COc2ccc(Br)cc2Br)nnc1-c1ccccc1 ZINC000095431101 568609175 /nfs/dbraw/zinc/60/91/75/568609175.db2.gz POUMLPNRNYVCJJ-UHFFFAOYSA-N 0 0 423.108 4.586 50 0 HJAARN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000020463320 568609896 /nfs/dbraw/zinc/60/98/96/568609896.db2.gz GSHFAJCGVDWBMO-SFHVURJKSA-N 0 0 401.388 4.907 50 0 HJAARN Cc1noc(C)c1COc1cccc(C(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)c1 ZINC000095444883 568611693 /nfs/dbraw/zinc/61/16/93/568611693.db2.gz HWOBHVHNYKOURE-XZOQPEGZSA-N 0 0 412.530 4.871 50 0 HJAARN c1cnn(-c2ccc(CNC3(c4nc(-c5ccsc5)no4)CCCCC3)cc2)c1 ZINC000095450129 568613957 /nfs/dbraw/zinc/61/39/57/568613957.db2.gz YEWSCKXLFNOBBN-UHFFFAOYSA-N 0 0 405.527 4.933 50 0 HJAARN COc1ccc(Br)c(C(=O)N[C@@](C)(c2ccccc2)C(F)(F)F)c1 ZINC000095457256 568618261 /nfs/dbraw/zinc/61/82/61/568618261.db2.gz KHUPHXOKSGJGEQ-INIZCTEOSA-N 0 0 402.210 4.665 50 0 HJAARN CC[C@@H](CSC)N(C)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000095459615 568619848 /nfs/dbraw/zinc/61/98/48/568619848.db2.gz AFPAGXCJVHXGMC-AWEZNQCLSA-N 0 0 423.932 4.570 50 0 HJAARN CCCc1noc(CCCC(=O)Nc2ccc(N3CCC[C@@H]3C(C)C)c(F)c2)n1 ZINC000095465074 568623077 /nfs/dbraw/zinc/62/30/77/568623077.db2.gz PEEMNEVDGXRMHM-GOSISDBHSA-N 0 0 402.514 4.747 50 0 HJAARN Cc1cc(Br)cc(CNc2cc(-c3ccncc3)nn2C)c1OC(F)F ZINC000095465823 568623956 /nfs/dbraw/zinc/62/39/56/568623956.db2.gz JVIRHBICVZYPMI-UHFFFAOYSA-N 0 0 423.261 4.767 50 0 HJAARN COc1ccccc1-c1nnc(SCCCn2ccnc2)n1CCc1ccccc1 ZINC000095468076 568625131 /nfs/dbraw/zinc/62/51/31/568625131.db2.gz KVDLAKSVWWEZNM-UHFFFAOYSA-N 0 0 419.554 4.575 50 0 HJAARN COc1cccc(-n2cnc3c2[C@H](c2ccc(O)c(Cl)c2)SCC(=O)N3)c1 ZINC000095473731 568628953 /nfs/dbraw/zinc/62/89/53/568628953.db2.gz LPKKINZJQZZUAU-SFHVURJKSA-N 0 0 401.875 4.664 50 0 HJAARN COc1ccc(Cc2nnc(NC(=O)c3nc(Cl)sc3C(C)C)s2)cc1 ZINC000095478649 568631925 /nfs/dbraw/zinc/63/19/25/568631925.db2.gz YBMOCKFRFXTJMD-UHFFFAOYSA-N 0 0 408.936 4.623 50 0 HJAARN COc1ccc([C@H](CNC(=O)c2nccc(Cl)c2F)c2c[nH]c3ccccc32)cc1 ZINC000225428099 568637298 /nfs/dbraw/zinc/63/72/98/568637298.db2.gz DXSWFPOMXPDYGY-KRWDZBQOSA-N 0 0 423.875 4.926 50 0 HJAARN Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000225437185 568637669 /nfs/dbraw/zinc/63/76/69/568637669.db2.gz MHQXRTNKMYSDGX-UHFFFAOYSA-N 0 0 411.387 4.842 50 0 HJAARN COc1ccc(Br)cc1C1=N/C(=C\c2c(F)cccc2Cl)C(=O)O1 ZINC000020615997 568638133 /nfs/dbraw/zinc/63/81/33/568638133.db2.gz JZTXPBCMIHRQKP-ZSOIEALJSA-N 0 0 410.626 4.595 50 0 HJAARN Cc1ccc(CCN2C(=O)c3ccccc3[C@@H]2C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 ZINC000020684356 568640357 /nfs/dbraw/zinc/64/03/57/568640357.db2.gz HQVRPXVOTTZCRR-DJEYIWCMSA-N 0 0 404.554 4.676 50 0 HJAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)NCc2cccs2)c1C ZINC000020761145 568642173 /nfs/dbraw/zinc/64/21/73/568642173.db2.gz IBTAFGWHWVSNRK-UHFFFAOYSA-N 0 0 414.502 4.547 50 0 HJAARN COc1ccc(-c2nn(C)c3sc(C(=O)N(C)C4CCCCC4)cc23)cc1OC ZINC000020855866 568645418 /nfs/dbraw/zinc/64/54/18/568645418.db2.gz ADGDWQNICZGGQN-UHFFFAOYSA-N 0 0 413.543 4.724 50 0 HJAARN C[C@H](NC(=O)c1ccc2nc(N3CCCCC3)sc2c1)c1ccc2c(c1)OCCO2 ZINC000020865423 568646432 /nfs/dbraw/zinc/64/64/32/568646432.db2.gz SHBKGEFTHQYNRA-HNNXBMFYSA-N 0 0 423.538 4.549 50 0 HJAARN CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N=C1Nc1ccc(Br)cc1F ZINC000020900865 568649855 /nfs/dbraw/zinc/64/98/55/568649855.db2.gz BNZSOKIYHIYISL-UHFFFAOYSA-N 0 0 423.307 4.790 50 0 HJAARN Cc1cccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCC2)c1C ZINC000020903039 568650361 /nfs/dbraw/zinc/65/03/61/568650361.db2.gz IHZQJGYWLYKLEF-AREMUKBSSA-N 0 0 415.537 4.736 50 0 HJAARN Cc1ccc(C(=O)NCc2cccc(Cl)c2)cc1NC(=O)C1=C(C)OCCS1 ZINC000020919282 568650747 /nfs/dbraw/zinc/65/07/47/568650747.db2.gz TWLWGYDLANKBNM-UHFFFAOYSA-N 0 0 416.930 4.512 50 0 HJAARN CCN(Cc1ccccc1)C(=O)C[C@@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O ZINC000020936035 568652319 /nfs/dbraw/zinc/65/23/19/568652319.db2.gz HYWSIOZGMQEICH-DEOSSOPVSA-N 0 0 416.496 4.962 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)c1cnn(-c2cccc(F)c2)c1-n1cccc1 ZINC000020980553 568654467 /nfs/dbraw/zinc/65/44/67/568654467.db2.gz LQJDCSGZDGSGRW-UHFFFAOYSA-N 0 0 410.836 4.716 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000021018773 568658122 /nfs/dbraw/zinc/65/81/22/568658122.db2.gz HILGPRGMBPWLOC-FQEVSTJZSA-N 0 0 410.395 4.916 50 0 HJAARN COc1ccc(C2=NCC(=O)N(Cc3ccccc3)c3sc4c(c32)CCC4)cc1 ZINC000021021686 568658433 /nfs/dbraw/zinc/65/84/33/568658433.db2.gz XCJKSWJTTVNLIQ-UHFFFAOYSA-N 0 0 402.519 4.630 50 0 HJAARN CCc1c(C)sc2c1CCN(CC(=O)NCc1ccccc1)[C@@H]2c1ccccc1 ZINC000021045681 568660182 /nfs/dbraw/zinc/66/01/82/568660182.db2.gz DETRMWPROHWHHD-XMMPIXPASA-N 0 0 404.579 4.883 50 0 HJAARN CCOc1cc(C(=O)N[C@H](c2nc(-c3ccccc3)no2)C(C)C)cc(Cl)c1O ZINC000095941046 568662036 /nfs/dbraw/zinc/66/20/36/568662036.db2.gz YGNMKZGVYVYTEA-KRWDZBQOSA-N 0 0 415.877 4.621 50 0 HJAARN COc1ccc([C@@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)c2ccccc2)cc1 ZINC000095945147 568663372 /nfs/dbraw/zinc/66/33/72/568663372.db2.gz NDVUYEDRYIXJQJ-QHCPKHFHSA-N 0 0 416.477 4.704 50 0 HJAARN CC(=O)Oc1ccc2ccccc2c1C1=NN(C(C)=O)[C@@H](c2ccc(Cl)cc2)O1 ZINC000021092327 568664323 /nfs/dbraw/zinc/66/43/23/568664323.db2.gz DKGCRWGESYITAV-JOCHJYFZSA-N 0 0 408.841 4.658 50 0 HJAARN O=c1c2ccc[nH]c-2c(Nc2ccc(OC(F)(F)F)cc2)n1Cc1cccs1 ZINC000021106146 568666994 /nfs/dbraw/zinc/66/69/94/568666994.db2.gz SYZMKDUIECDGSF-QGZVFWFLSA-N 0 0 405.401 4.808 50 0 HJAARN CN(Cc1nc(-c2ccc(Cl)cc2)no1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095951873 568667670 /nfs/dbraw/zinc/66/76/70/568667670.db2.gz QHVAINGMAZCHAH-WMZOPIPTSA-N 0 0 424.715 4.787 50 0 HJAARN CN(Cc1ncc(-c2ccc(F)cc2)o1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095951874 568667786 /nfs/dbraw/zinc/66/77/86/568667786.db2.gz LBOHRAKBQWXCHD-FXAWDEMLSA-N 0 0 407.272 4.878 50 0 HJAARN CCOc1cc2c(cc1OCC)[C@@H]1CC(=O)N(c3cc(C)cc(C)c3)C(=O)N1CC2 ZINC000021151251 568672305 /nfs/dbraw/zinc/67/23/05/568672305.db2.gz KVNBROMGOUMZNF-FQEVSTJZSA-N 0 0 408.498 4.557 50 0 HJAARN O=C(c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2)N1CCc2ccccc21 ZINC000021166880 568674931 /nfs/dbraw/zinc/67/49/31/568674931.db2.gz SSSZKIHXKPGKIY-UHFFFAOYSA-N 0 0 415.923 4.559 50 0 HJAARN Cc1nn(-c2nc(C)cc(C)n2)c2c1[C@@H](c1ccccc1)CC(=O)N2Cc1ccccc1 ZINC000021177052 568677334 /nfs/dbraw/zinc/67/73/34/568677334.db2.gz WPZJBLCSNIGJNH-JOCHJYFZSA-N 0 0 423.520 4.656 50 0 HJAARN O=C(C[C@H]1CCOc2ccccc21)N(c1nccs1)[C@@H]1CCCc2cccnc21 ZINC000095997594 568679420 /nfs/dbraw/zinc/67/94/20/568679420.db2.gz IHDIIHDSCCGJCR-IEBWSBKVSA-N 0 0 405.523 4.905 50 0 HJAARN O=C(Nc1nc2c(s1)CN(C(=O)Nc1cccc(Cl)c1)CC2)c1ccsc1 ZINC000096024347 568685969 /nfs/dbraw/zinc/68/59/69/568685969.db2.gz CCUQPZZDLZKQON-UHFFFAOYSA-N 0 0 418.931 4.701 50 0 HJAARN O[C@]12CCCC[C@H]1C1(CCCCC1)NC(=S)N2Cc1ccccc1C(F)(F)F ZINC000012389155 568686896 /nfs/dbraw/zinc/68/68/96/568686896.db2.gz KYCXZQJJARAALM-FXAWDEMLSA-N 0 0 412.521 4.977 50 0 HJAARN COCCN1c2ccc(NC(=O)C3CCCCC3)cc2Sc2ccccc2C1=O ZINC000021355374 568688212 /nfs/dbraw/zinc/68/82/12/568688212.db2.gz POECMCSKBSTIGM-UHFFFAOYSA-N 0 0 410.539 4.963 50 0 HJAARN O=C(c1ccccc1)c1ccccc1C(=O)N1CCC(Oc2ncccc2Cl)CC1 ZINC000096096861 568689267 /nfs/dbraw/zinc/68/92/67/568689267.db2.gz VOFPHZNCFCDTQV-UHFFFAOYSA-N 0 0 420.896 4.650 50 0 HJAARN CC(C)C[C@@H]1[C@@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)[C@@H]2ON1c1ccccc1 ZINC000226843350 568698037 /nfs/dbraw/zinc/69/80/37/568698037.db2.gz KAEVMPMHCQRLOG-ZIFCJYIRSA-N 0 0 419.308 4.718 50 0 HJAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccc(F)c(Cl)c2)S1 ZINC000096118461 568698176 /nfs/dbraw/zinc/69/81/76/568698176.db2.gz NEYDNDXKHZZWSU-BLLLJJGKSA-N 0 0 409.914 4.985 50 0 HJAARN Cc1cccc(OC2CCN(C(=O)C3c4ccccc4Oc4ccccc43)CC2)n1 ZINC000096119509 568698886 /nfs/dbraw/zinc/69/88/86/568698886.db2.gz PKVYAZWGFMEUMQ-UHFFFAOYSA-N 0 0 400.478 4.698 50 0 HJAARN O=C(c1ccc(CNS(=O)(=O)c2cccc3ccccc32)s1)c1ccccc1 ZINC000096119883 568699113 /nfs/dbraw/zinc/69/91/13/568699113.db2.gz DKHUNWFFRQPUMN-UHFFFAOYSA-N 0 0 407.516 4.611 50 0 HJAARN Cc1noc(COC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)n1 ZINC000096157870 568702520 /nfs/dbraw/zinc/70/25/20/568702520.db2.gz YOJAMACQIMKPGU-QXMHVHEDSA-N 0 0 414.465 4.604 50 0 HJAARN Ic1ccc(CSc2nnc(COc3ccccc3)o2)cc1 ZINC000096203395 568704013 /nfs/dbraw/zinc/70/40/13/568704013.db2.gz BQQZBUAJQUOZBK-UHFFFAOYSA-N 0 0 424.263 4.546 50 0 HJAARN COc1ccc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1 ZINC000096221067 568704953 /nfs/dbraw/zinc/70/49/53/568704953.db2.gz WEBWJKLMQAORQY-LJQANCHMSA-N 0 0 414.413 4.615 50 0 biogenic HJAARN COc1cc(-c2nnc(SCc3c(F)cccc3Cl)o2)cc(OC)c1OC ZINC000000850231 568712079 /nfs/dbraw/zinc/71/20/79/568712079.db2.gz LUPVTKWGIRNKRX-UHFFFAOYSA-N 0 0 410.854 4.847 50 0 HJAARN Cc1cc(S[C@@H](NC(=O)c2ccccc2)C(=O)c2ccccc2)nc(C(C)C)n1 ZINC000000854970 568712861 /nfs/dbraw/zinc/71/28/61/568712861.db2.gz UWCSJHBRRDCZOY-HSZRJFAPSA-N 0 0 405.523 4.640 50 0 HJAARN Cc1cc(C)c2c(-n3cccc3)nn(CCCC(=O)Nc3ccc(F)cc3C)c2n1 ZINC000021540039 568713568 /nfs/dbraw/zinc/71/35/68/568713568.db2.gz ONZQTOLCHZSIRG-UHFFFAOYSA-N 0 0 405.477 4.705 50 0 HJAARN C[C@H]1c2nc3ccccc3c(=O)n2[C@H](c2ccc(O)cc2)N1c1ccc(Cl)cc1 ZINC000096274186 568714016 /nfs/dbraw/zinc/71/40/16/568714016.db2.gz FVUWGTIWNQRDBE-RCDICMHDSA-N 0 0 403.869 4.884 50 0 HJAARN Cc1cc(C)n(-c2ccccc2NC(=O)Cc2csc(Cc3ccccc3)n2)n1 ZINC000025014653 568714235 /nfs/dbraw/zinc/71/42/35/568714235.db2.gz LUCUDNQYRJFHPW-UHFFFAOYSA-N 0 0 402.523 4.718 50 0 HJAARN O=C(C[C@H](c1c[nH]c2ccc(Cl)cc21)c1ccc2c(c1)OCCO2)N1CCCC1 ZINC000096276300 568715033 /nfs/dbraw/zinc/71/50/33/568715033.db2.gz KUPSAZPQIHYJNQ-KRWDZBQOSA-N 0 0 410.901 4.737 50 0 HJAARN CCOc1ccc([C@@H](CC(=O)N2CCOCC2)c2c[nH]c3ccc(Cl)cc32)cc1 ZINC000096276835 568715545 /nfs/dbraw/zinc/71/55/45/568715545.db2.gz VSGDZYWDIOZJLO-LJQANCHMSA-N 0 0 412.917 4.601 50 0 HJAARN CC(=O)Nc1ccc2c(cc(C(=O)NCc3ccccc3)n2Cc2cccc(F)c2)c1 ZINC000096276696 568715616 /nfs/dbraw/zinc/71/56/16/568715616.db2.gz XYPOMTILIWKDBS-UHFFFAOYSA-N 0 0 415.468 4.717 50 0 HJAARN O=C(C[C@@H](c1c[nH]c2ccc(Cl)cc21)c1cccc(Cl)c1)N1CCOCC1 ZINC000096277873 568716379 /nfs/dbraw/zinc/71/63/79/568716379.db2.gz PMTKZEUKTVHWJH-QGZVFWFLSA-N 0 0 403.309 4.856 50 0 HJAARN COc1ccc([C@H](CC(=O)N2CCCC2)c2c[nH]c3ccc(Cl)cc32)cc1OC ZINC000096278210 568716722 /nfs/dbraw/zinc/71/67/22/568716722.db2.gz DBQZZYXAJMTQMA-KRWDZBQOSA-N 0 0 412.917 4.983 50 0 HJAARN CC[C@H](C)[C@@H](NC(=O)COc1ccc(Cl)cc1)c1nc(-c2ccc(C)cc2)no1 ZINC000096279017 568717268 /nfs/dbraw/zinc/71/72/68/568717268.db2.gz WHXJAVMASOVZBR-MGPUTAFESA-N 0 0 413.905 4.981 50 0 HJAARN CCOc1ccc(C(=O)CSc2nccn(-c3cccc4ccccc43)c2=O)cc1 ZINC000012415317 568717565 /nfs/dbraw/zinc/71/75/65/568717565.db2.gz GLEBOKBHESINMN-UHFFFAOYSA-N 0 0 416.502 4.759 50 0 HJAARN Cc1ccc(N2CCN(Cc3cccc(C(=O)Nc4ccc(F)cc4)c3)CC2)cc1 ZINC000096280592 568718103 /nfs/dbraw/zinc/71/81/03/568718103.db2.gz LGHZBWQADUKRCP-UHFFFAOYSA-N 0 0 403.501 4.709 50 0 HJAARN O=C(CN1CCCCC1)Nc1ccc(NC(=O)c2ccccc2Cl)cc1Cl ZINC000000862431 568718433 /nfs/dbraw/zinc/71/84/33/568718433.db2.gz AFWJULGONBLBEQ-UHFFFAOYSA-N 0 0 406.313 4.670 50 0 HJAARN CC[C@@H](C)C1=NS(=O)(=O)c2cc(NC(=O)c3ccco3)ccc2N1c1ccccc1 ZINC000096287023 568719221 /nfs/dbraw/zinc/71/92/21/568719221.db2.gz AHSCJXHDJYMXBS-OAHLLOKOSA-N 0 0 423.494 4.817 50 0 HJAARN COc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)c(Cl)c1Cl ZINC000012420123 568719440 /nfs/dbraw/zinc/71/94/40/568719440.db2.gz XNDXCAINRDSMQQ-UHFFFAOYSA-N 0 0 411.104 4.565 50 0 HJAARN O=C(C1CCC1)N(CCc1nc(-c2ccc(Cl)cc2)no1)CCc1ccccc1 ZINC000096292908 568721264 /nfs/dbraw/zinc/72/12/64/568721264.db2.gz GJUVIDPSAMOPII-UHFFFAOYSA-N 0 0 409.917 4.804 50 0 HJAARN CCN1CCN(C(=O)c2c(CC(C)C)nn(-c3ccccc3Cl)c2C(C)C)CC1 ZINC000096299837 568722900 /nfs/dbraw/zinc/72/29/00/568722900.db2.gz KCVGMCCPUNVTLF-UHFFFAOYSA-N 0 0 416.997 4.625 50 0 HJAARN COc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccccc4Cl)c3)cn2n1 ZINC000012441255 568723977 /nfs/dbraw/zinc/72/39/77/568723977.db2.gz JTYABUZRVSYNQY-UHFFFAOYSA-N 0 0 413.264 4.964 50 0 HJAARN COc1ccccc1-c1coc2c(ccc3c2CN(Cc2ccc(F)cc2)CO3)c1=O ZINC000012442382 568724832 /nfs/dbraw/zinc/72/48/32/568724832.db2.gz CEZSZGNVTIPGOW-UHFFFAOYSA-N 0 0 417.436 4.960 50 0 HJAARN COC(=O)c1ccc(C(=O)Nc2nc(-c3cc4ccc(OC)cc4o3)cs2)cc1 ZINC000012443602 568725037 /nfs/dbraw/zinc/72/50/37/568725037.db2.gz XGLRMCYBRQLWOV-UHFFFAOYSA-N 0 0 408.435 4.604 50 0 HJAARN CC[C@@H](C)c1nc(C)c(Cc2ccc(C)cc2)c(N2CCN(C(=O)CC(C)C)CC2)n1 ZINC000096317300 568726703 /nfs/dbraw/zinc/72/67/03/568726703.db2.gz JSRSWAZYAGYVCZ-HXUWFJFHSA-N 0 0 422.617 4.892 50 0 HJAARN Cc1c(C)c(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@H]3C2=O)ccc1Br ZINC000239174295 568728290 /nfs/dbraw/zinc/72/82/90/568728290.db2.gz PSNSRACEUKDZNJ-RCCFBDPRSA-N 0 0 412.327 5.139 50 0 HJAARN CC[C@@H](C)C(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)[C@@H](C)CC)c2ccccc21 ZINC000239235899 568728587 /nfs/dbraw/zinc/72/85/87/568728587.db2.gz WYDOYBRGEXKRFI-CMCWBKRRSA-N 0 0 406.570 5.978 50 0 HJAARN CCOC(=O)c1cnc(N2CCN(c3cc(Cl)ccc3C)CC2)c2ccccc12 ZINC000021650163 568728848 /nfs/dbraw/zinc/72/88/48/568728848.db2.gz SHGLWMPRNRHCEJ-UHFFFAOYSA-N 0 0 409.917 4.700 50 0 HJAARN Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)Nc1ccccc1OCC(F)F ZINC000241435174 568731319 /nfs/dbraw/zinc/73/13/19/568731319.db2.gz NLIVCPNFAGSXDU-UHFFFAOYSA-N 0 0 422.382 4.806 50 0 HJAARN Cc1ccc(CN2c3ccc(F)cc3OC[C@@H]2CC(=O)NCc2ccc(F)cc2)cc1 ZINC000096323099 568731405 /nfs/dbraw/zinc/73/14/05/568731405.db2.gz OCLKSXLIEYILQZ-QFIPXVFZSA-N 0 0 422.475 4.747 50 0 HJAARN Cc1noc(-c2cc(S(=O)(=O)Nc3ccc(Cl)cc3F)c(C)s2)c1C ZINC000096323565 568732228 /nfs/dbraw/zinc/73/22/28/568732228.db2.gz PEABPUKRPAAALM-UHFFFAOYSA-N 0 0 400.884 4.922 50 0 HJAARN Cc1ccc(C)c(NC(=O)N2CCc3c(sc4nc(-c5ccccc5)nn34)C2)c1 ZINC000096323888 568732871 /nfs/dbraw/zinc/73/28/71/568732871.db2.gz QCPDVJPLVAOICE-UHFFFAOYSA-N 0 0 403.511 4.665 50 0 HJAARN Cc1ccc(-c2nc3sc4c(n3n2)CCN(C(=O)Nc2ccc(C)c(F)c2)C4)cc1 ZINC000096323866 568732882 /nfs/dbraw/zinc/73/28/82/568732882.db2.gz RZTMVVUADZHZOU-UHFFFAOYSA-N 0 0 421.501 4.804 50 0 HJAARN O=C(Nc1cccc(Cl)c1)N1CCc2c(sc3nc(-c4ccccc4)nn23)C1 ZINC000096323881 568732929 /nfs/dbraw/zinc/73/29/29/568732929.db2.gz VXAOEVHCEHXSBG-UHFFFAOYSA-N 0 0 409.902 4.701 50 0 HJAARN COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2c2nc(C)cs2)cc1 ZINC000021658617 568735189 /nfs/dbraw/zinc/73/51/89/568735189.db2.gz AIJWKQORHZZYSN-IBGZPJMESA-N 0 0 409.511 4.833 50 0 HJAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(F)cc3)sc2c1 ZINC000021660928 568735840 /nfs/dbraw/zinc/73/58/40/568735840.db2.gz VMRRVISYNDYRHH-INIZCTEOSA-N 0 0 422.485 4.802 50 0 HJAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@@H](c1ccc(F)c(F)c1)CC(=O)N2 ZINC000021661298 568736135 /nfs/dbraw/zinc/73/61/35/568736135.db2.gz CKXVJLMIHAGLIE-CYBMUJFWSA-N 0 0 410.449 4.851 50 0 HJAARN CC(C)c1noc(-c2ccccc2NC(=O)COc2ccc(Br)cc2)n1 ZINC000096346710 568737814 /nfs/dbraw/zinc/73/78/14/568737814.db2.gz CSLUSZICAMOSEQ-UHFFFAOYSA-N 0 0 416.275 4.640 50 0 HJAARN CCc1c2cc(C)ccc2[nH]c1-c1nc(CCN(C)C(=O)c2cc(F)ccc2F)no1 ZINC000096349663 568738180 /nfs/dbraw/zinc/73/81/80/568738180.db2.gz PGPGMJQLIBDSLV-UHFFFAOYSA-N 0 0 424.451 4.682 50 0 HJAARN Cc1ccc(C)c(C(=O)N(C)CCc2noc(-c3cc4cc(Cl)ccc4[nH]3)n2)c1 ZINC000096349832 568738371 /nfs/dbraw/zinc/73/83/71/568738371.db2.gz WGBQUXQCXVAKTR-UHFFFAOYSA-N 0 0 408.889 4.803 50 0 HJAARN Cc1c2cc(C)ccc2[nH]c1-c1nc(CCN(C)C(=O)Cc2ccc(Cl)cc2)no1 ZINC000096349719 568738397 /nfs/dbraw/zinc/73/83/97/568738397.db2.gz WUDBRTSCFKYJSZ-UHFFFAOYSA-N 0 0 422.916 4.732 50 0 HJAARN O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)c1ccc2ncsc2c1 ZINC000096357674 568738612 /nfs/dbraw/zinc/73/86/12/568738612.db2.gz PNRAQCKVEBGMCD-UHFFFAOYSA-N 0 0 402.435 4.782 50 0 HJAARN COc1ccccc1-c1noc(CSc2nnc(-c3c[nH]c4ccccc43)o2)n1 ZINC000018766675 568739774 /nfs/dbraw/zinc/73/97/74/568739774.db2.gz QEKOTCMVKCBYGN-UHFFFAOYSA-N 0 0 405.439 4.569 50 0 HJAARN CC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccccc1OCC(F)(F)F ZINC000025057247 568740866 /nfs/dbraw/zinc/74/08/66/568740866.db2.gz CIFCSEJIRRSSRP-UHFFFAOYSA-N 0 0 401.768 4.501 50 0 HJAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)COc1ccc(Cl)cc1 ZINC000018832869 568742246 /nfs/dbraw/zinc/74/22/46/568742246.db2.gz AJQPTLDFQVYLOM-UHFFFAOYSA-N 0 0 420.296 4.861 50 0 HJAARN Cc1cnn(Cc2nc(-c3ccc(NC(=O)Cc4ccccc4C)cc3)oc2C)c1 ZINC000096397274 568746184 /nfs/dbraw/zinc/74/61/84/568746184.db2.gz LZTSYJRVIRRZSO-UHFFFAOYSA-N 0 0 400.482 4.693 50 0 HJAARN CCOc1ccc(-c2c(C)[nH]nc2NC(=O)[C@@H](C)Oc2ccccc2)cc1OCC ZINC000096399001 568747621 /nfs/dbraw/zinc/74/76/21/568747621.db2.gz ZPXSSVAGYYQUIA-MRXNPFEDSA-N 0 0 409.486 4.589 50 0 HJAARN CCOc1ccc(-c2c(C)[nH]nc2NC(=O)c2ccccc2OCC)cc1OCC ZINC000096398992 568747626 /nfs/dbraw/zinc/74/76/26/568747626.db2.gz BHXLHVMHZQCNTB-UHFFFAOYSA-N 0 0 409.486 4.834 50 0 HJAARN CCSC1=NC2(CCN(C(=O)Nc3ccccc3F)CC2)N=C1c1ccccc1 ZINC000096399311 568747727 /nfs/dbraw/zinc/74/77/27/568747727.db2.gz RSTYVUHWXXCNRG-UHFFFAOYSA-N 0 0 410.518 4.804 50 0 HJAARN COc1ccc(C(=O)C[C@@H](c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000903133 568749529 /nfs/dbraw/zinc/74/95/29/568749529.db2.gz GCTCLTKCXPVUFJ-NRFANRHFSA-N 0 0 400.521 4.853 50 0 HJAARN Cc1ccc(NC(=O)[C@H](C)Sc2nnc(CNc3ccc(Cl)cc3)n2C)cc1 ZINC000000906754 568749737 /nfs/dbraw/zinc/74/97/37/568749737.db2.gz AUQCAJBTDKKKGX-AWEZNQCLSA-N 0 0 415.950 4.508 50 0 HJAARN CCn1c(-c2cc(NC(=O)CCc3ccc(OC)cc3)n[nH]2)cc2ccc(OC)cc21 ZINC000096400329 568749686 /nfs/dbraw/zinc/74/96/86/568749686.db2.gz XVQVOYQGPYFHHV-UHFFFAOYSA-N 0 0 418.497 4.640 50 0 HJAARN CN(C)C(=O)c1c(NC(=O)c2ccccc2F)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000000920972 568750726 /nfs/dbraw/zinc/75/07/26/568750726.db2.gz BEIFZBWVKFVYKT-CYBMUJFWSA-N 0 0 402.535 4.992 50 0 HJAARN Cc1ccc2oc(SCc3noc(CCC(=O)Nc4cc(C)ccc4C)n3)nc2c1 ZINC000021721441 568750795 /nfs/dbraw/zinc/75/07/95/568750795.db2.gz YZHHBMALPXGGGB-UHFFFAOYSA-N 0 0 422.510 5.000 50 0 HJAARN Cc1ccc2oc(SCc3noc(CCC(=O)Nc4ccccc4F)n3)nc2c1 ZINC000021721443 568750827 /nfs/dbraw/zinc/75/08/27/568750827.db2.gz KRCNKMMGWDMOKB-UHFFFAOYSA-N 0 0 412.446 4.522 50 0 HJAARN CCCOc1cccc([C@@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)c1 ZINC000021725834 568751584 /nfs/dbraw/zinc/75/15/84/568751584.db2.gz RXZOFKOLYRZGFB-INIZCTEOSA-N 0 0 404.495 4.745 50 0 HJAARN Cc1ccc(-c2csc3nnc(SCC(=O)c4ccc5c(c4)OCCO5)n23)cc1 ZINC000000937516 568752044 /nfs/dbraw/zinc/75/20/44/568752044.db2.gz NPXJEQIWQNUQQW-UHFFFAOYSA-N 0 0 423.519 4.512 50 0 HJAARN C[C@@H](OC(=O)/C=C/c1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1 ZINC000000938194 568752187 /nfs/dbraw/zinc/75/21/87/568752187.db2.gz MOQKWMXKJITZKT-KBVBDRTLSA-N 0 0 408.679 4.686 50 0 HJAARN COc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000021792535 568753127 /nfs/dbraw/zinc/75/31/27/568753127.db2.gz DDCWAAAGTVXEKO-UHFFFAOYSA-N 0 0 419.412 4.569 50 0 HJAARN CCOC(=O)COc1cc2oc(C)c(-c3nc4ccccc4s3)c(=O)c2cc1CC ZINC000000941976 568753499 /nfs/dbraw/zinc/75/34/99/568753499.db2.gz RLCFLBWSOQCSPB-UHFFFAOYSA-N 0 0 423.490 4.882 50 0 HJAARN Cc1ccccc1CN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NCCC(C)C ZINC000021858743 568755088 /nfs/dbraw/zinc/75/50/88/568755088.db2.gz CALUCWULELZLNK-AREMUKBSSA-N 0 0 417.553 4.527 50 0 HJAARN Cc1cccc(CN2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCCC(C)C)c1 ZINC000021858556 568755113 /nfs/dbraw/zinc/75/51/13/568755113.db2.gz TXTKSWMCXZPYTE-AREMUKBSSA-N 0 0 417.553 4.527 50 0 HJAARN Cc1ccc(C)c(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NCCC(C)C)c1 ZINC000021858516 568755173 /nfs/dbraw/zinc/75/51/73/568755173.db2.gz LTJSMEMYGZTQMD-AREMUKBSSA-N 0 0 417.553 4.840 50 0 HJAARN CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253612521 568755179 /nfs/dbraw/zinc/75/51/79/568755179.db2.gz UVOTXHBDYFWIBF-NBBWDSKESA-N 0 0 416.558 4.629 50 0 HJAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2nc(-c3ccccc3)nc2N1 ZINC000000949446 568755475 /nfs/dbraw/zinc/75/54/75/568755475.db2.gz HSIRKTQTXZOXRC-JOCHJYFZSA-N 0 0 407.477 4.873 50 0 HJAARN Cc1ccc(N(Cc2nc3nc(C)c(Cl)c(C)n3n2)C(=O)c2ccccc2C)cc1 ZINC000086066550 568755808 /nfs/dbraw/zinc/75/58/08/568755808.db2.gz NRQGRUHVTISSKB-UHFFFAOYSA-N 0 0 419.916 4.858 50 0 HJAARN CCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000086077521 568756313 /nfs/dbraw/zinc/75/63/13/568756313.db2.gz YERONRJRYIUEGF-ICSRJNTNSA-N 0 0 418.541 4.512 50 0 HJAARN COc1ccccc1NC(=O)/C(=C\c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000211040000 568756642 /nfs/dbraw/zinc/75/66/42/568756642.db2.gz XVIIRGBALLALCO-PXLXIMEGSA-N 0 0 411.461 4.586 50 0 HJAARN COc1ccc(C2=N[C@H](c3ccc(OC)c(OC)c3)N3[C@H](c4ccccc4)[C@@H]23)cc1 ZINC000254845725 568756814 /nfs/dbraw/zinc/75/68/14/568756814.db2.gz YTMXFEJNAOYJAH-ZMZXHRNFSA-N 0 0 400.478 4.639 50 0 HJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(OC)cc(OC)c1 ZINC000000951815 568757321 /nfs/dbraw/zinc/75/73/21/568757321.db2.gz RJOYEOFUTPBXCY-UHFFFAOYSA-N 0 0 411.479 4.861 50 0 HJAARN Cc1ccc(Oc2coc3cc(OCC(=O)NC4CCCCC4)ccc3c2=O)cc1 ZINC000000956116 568757587 /nfs/dbraw/zinc/75/75/87/568757587.db2.gz JVVVTLOLJDFHNN-UHFFFAOYSA-N 0 0 407.466 4.721 50 0 HJAARN COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3cc(Cl)ccc3C)o2)C1=O ZINC000000981752 568760346 /nfs/dbraw/zinc/76/03/46/568760346.db2.gz UQSBLKZXCVCSQL-WIWNTQSISA-N 0 0 405.859 4.506 50 0 HJAARN CCn1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c2ccccc21 ZINC000001008200 568761853 /nfs/dbraw/zinc/76/18/53/568761853.db2.gz 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CCCCn1c(SCC(=O)Nc2c(C)cccc2CC)nc2ccsc2c1=O ZINC000057426396 568835323 /nfs/dbraw/zinc/83/53/23/568835323.db2.gz FKHUGMYJAKLVEL-UHFFFAOYSA-N 0 0 415.584 4.860 50 0 HJAARN CC(=O)c1ccc(N[C@]2(/C=C\c3ccccc3)CC(=O)N(C3CCCCC3)C2=O)cc1 ZINC000006022712 568835507 /nfs/dbraw/zinc/83/55/07/568835507.db2.gz JPMDUQJSPKGPCF-VNBGQBMQSA-N 0 0 416.521 4.845 50 0 HJAARN COc1cc2c(cc1OC)[C@@H](COc1ccc(F)cc1)N(C(=O)c1ccccc1)CC2 ZINC000003006331 568837218 /nfs/dbraw/zinc/83/72/18/568837218.db2.gz QZJQCFIGBOVSMC-JOCHJYFZSA-N 0 0 421.468 4.662 50 0 HJAARN COC(=O)c1ccc(OCc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)cc1 ZINC000031677873 568837608 /nfs/dbraw/zinc/83/76/08/568837608.db2.gz LDDFYOHUQLEKRX-UHFFFAOYSA-N 0 0 416.886 4.847 50 0 HJAARN Cc1nc2sc3c(c2c(=O)n1CC(=O)c1ccc(Cl)c(Cl)c1)CCCC3 ZINC000003018111 568838693 /nfs/dbraw/zinc/83/86/93/568838693.db2.gz DKSHDNDIILWSRY-UHFFFAOYSA-N 0 0 407.322 4.835 50 0 HJAARN CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc3cc(C)c4ccccc4n32)cc1 ZINC000001221466 568838883 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O=C(Cn1cccc1-c1nc(-c2ccc(F)cc2)no1)Nc1cc(F)ccc1Cl ZINC000057486604 568842451 /nfs/dbraw/zinc/84/24/51/568842451.db2.gz SUVLTSOZZYATOW-UHFFFAOYSA-N 0 0 414.799 4.775 50 0 HJAARN CCCCc1noc(CSc2nnc(N3CCCC3)n2-c2ccccc2Cl)n1 ZINC000012528060 568843739 /nfs/dbraw/zinc/84/37/39/568843739.db2.gz YXWIUQSMXYEBOL-UHFFFAOYSA-N 0 0 418.954 4.539 50 0 HJAARN COc1cc(NC(=O)CCCSc2nc3ccccc3[nH]2)c(OC)cc1Cl ZINC000012529361 568844005 /nfs/dbraw/zinc/84/40/05/568844005.db2.gz FTSWNPGTOIYQAC-UHFFFAOYSA-N 0 0 405.907 4.745 50 0 HJAARN Cn1ccnc1SC[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000003984998 568844019 /nfs/dbraw/zinc/84/40/19/568844019.db2.gz PGSWBIZOBGMFIQ-HYUOFNBHSA-N 0 0 416.631 4.567 50 0 biogenic HJAARN Cc1c2c(c(C)n1C)[C@H](C(=O)NC1CCC(C)CC1)N(c1ccc(Cl)cc1)C2=O ZINC000003030817 568844361 /nfs/dbraw/zinc/84/43/61/568844361.db2.gz DUUDLTISOSKZIS-QPHWPUOASA-N 0 0 413.949 4.692 50 0 HJAARN COc1ccc([C@@H](NC(=O)c2oc3c(cccc3Cl)c2C)c2nccn2C)cc1 ZINC000012535128 568844851 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CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2sc3ccccc3c2Cl)c1 ZINC000012539784 568847088 /nfs/dbraw/zinc/84/70/88/568847088.db2.gz PTHYGNFVKFFOGT-UHFFFAOYSA-N 0 0 422.959 4.838 50 0 HJAARN Cc1cc(=O)n(CC(=O)Nc2ccc(C(C)C)cc2)c(Nc2ccc(F)c(C)c2)n1 ZINC000057507655 568847238 /nfs/dbraw/zinc/84/72/38/568847238.db2.gz CYTKPLMSJXQALJ-UHFFFAOYSA-N 0 0 408.477 4.505 50 0 HJAARN Cc1cccc(C)c1NC(=O)c1n[nH]nc1Nc1ccc(OCc2ccccc2)cc1 ZINC000057510698 568847626 /nfs/dbraw/zinc/84/76/26/568847626.db2.gz QZSYBIPUAVIOLP-UHFFFAOYSA-N 0 0 413.481 4.996 50 0 HJAARN CCCCc1ccc(NC(=O)Cn2c(=O)cc(CC)nc2-c2ccc(F)cc2)cc1 ZINC000057508833 568847697 /nfs/dbraw/zinc/84/76/97/568847697.db2.gz GNHOUIQCKPOJRR-UHFFFAOYSA-N 0 0 407.489 4.593 50 0 HJAARN O=C(Nc1ccc(N2CCCCCC2)cc1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000012543498 568849164 /nfs/dbraw/zinc/84/91/64/568849164.db2.gz MHXFDSRLLNJAJD-UHFFFAOYSA-N 0 0 420.557 4.950 50 0 HJAARN CSc1ncc(C(=O)O[C@@H](C)C(=O)c2cccc(Cl)c2)n1-c1ccc(F)cc1 ZINC000012544482 568849678 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ZINC000004071321 568882134 /nfs/dbraw/zinc/88/21/34/568882134.db2.gz XQHGQXOWPGCIHJ-UHFFFAOYSA-N 0 0 416.477 4.644 50 0 HJAARN COc1ccc(C)cc1NC(=O)[C@@H](Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000003332677 568882200 /nfs/dbraw/zinc/88/22/00/568882200.db2.gz LICQMFPOSRUHQC-QHCPKHFHSA-N 0 0 404.466 4.567 50 0 HJAARN O=C(CN1CCc2sccc2[C@H]1c1ccccc1)Nc1ccccc1N1CCCC1 ZINC000012636741 568883861 /nfs/dbraw/zinc/88/38/61/568883861.db2.gz XYANSENSEKTCMF-RUZDIDTESA-N 0 0 417.578 4.935 50 0 HJAARN O=C(CSc1ncc(C(F)(F)F)cc1Cl)Nc1ccc(F)c(F)c1F ZINC000003345652 568884510 /nfs/dbraw/zinc/88/45/10/568884510.db2.gz CUAZSSBWHAVITQ-UHFFFAOYSA-N 0 0 400.731 4.902 50 0 HJAARN Cc1cccc(C)c1NC(=O)C[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000015391050 568884880 /nfs/dbraw/zinc/88/48/80/568884880.db2.gz VCUXRDWOVCOKNJ-GOSISDBHSA-N 0 0 420.962 4.529 50 0 HJAARN COc1ccc(NC(=O)c2ccc(NC(=O)CCOc3cccc(C)c3)cc2)cc1 ZINC000003353680 568886110 /nfs/dbraw/zinc/88/61/10/568886110.db2.gz BUJAWGLWIZCOET-UHFFFAOYSA-N 0 0 404.466 4.664 50 0 HJAARN COc1ccc(NC(=O)[C@H](Nc2ccc3c(c2)OCO3)c2ccccc2)cc1Cl ZINC000003354498 568886266 /nfs/dbraw/zinc/88/62/66/568886266.db2.gz YRWRXVKWBMBPIO-OAQYLSRUSA-N 0 0 410.857 4.869 50 0 HJAARN O=C(Nc1nc(SCc2ccccc2)ns1)c1cccc(Br)c1 ZINC000003355104 568886451 /nfs/dbraw/zinc/88/64/51/568886451.db2.gz SORQAHUDPMHEHT-UHFFFAOYSA-N 0 0 406.330 4.845 50 0 HJAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(Nc3ccccc3F)s2)c1C ZINC000003360299 568887588 /nfs/dbraw/zinc/88/75/88/568887588.db2.gz FEGXRTBICMMOSY-UHFFFAOYSA-N 0 0 404.492 4.543 50 0 HJAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccccc2F)cc1OC ZINC000003360675 568887888 /nfs/dbraw/zinc/88/78/88/568887888.db2.gz LAMCUQNAZPRSTF-UHFFFAOYSA-N 0 0 422.481 4.834 50 0 HJAARN COc1ccc2nc(NC(=O)CCCOc3ccc(Br)cc3)sc2c1 ZINC000003361075 568888209 /nfs/dbraw/zinc/88/82/09/568888209.db2.gz ACIUEDFSYHFPEL-UHFFFAOYSA-N 0 0 421.316 4.865 50 0 HJAARN O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc21)NCc1ccccc1Cl ZINC000003363364 568888569 /nfs/dbraw/zinc/88/85/69/568888569.db2.gz CTIGMSAPNDCUJH-UHFFFAOYSA-N 0 0 420.852 4.621 50 0 HJAARN COc1ccc(N(C)C(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)cn1 ZINC000058169026 568895782 /nfs/dbraw/zinc/89/57/82/568895782.db2.gz DMSHKMNZHYDIRT-UHFFFAOYSA-N 0 0 419.485 4.569 50 0 HJAARN COc1ccc(-n2cnnc2SCCCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000003405820 568897171 /nfs/dbraw/zinc/89/71/71/568897171.db2.gz JDRXVDAETFNXLJ-UHFFFAOYSA-N 0 0 410.543 4.712 50 0 HJAARN COc1ccc(-n2cnnc2S[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000003408160 568897433 /nfs/dbraw/zinc/89/74/33/568897433.db2.gz LUKZMCHLYPCGTG-LLVKDONJSA-N 0 0 423.325 4.702 50 0 HJAARN CC[C@H](C)c1ccccc1NC(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000003417812 568899315 /nfs/dbraw/zinc/89/93/15/568899315.db2.gz CBDPNGPJWAGVQJ-IBGZPJMESA-N 0 0 417.505 4.618 50 0 HJAARN Cc1ccc(Nc2nnc(SCC(=O)c3ccc4c(c3)OCO4)s2)cc1Cl ZINC000058203155 568899712 /nfs/dbraw/zinc/89/97/12/568899712.db2.gz NALZZGLUOTUZBZ-UHFFFAOYSA-N 0 0 419.915 4.947 50 0 HJAARN Cc1cc(-c2csc(NC[C@H]3CCCO3)n2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000003437008 568902811 /nfs/dbraw/zinc/90/28/11/568902811.db2.gz PPDSBGBXHZRHRH-QGZVFWFLSA-N 0 0 411.527 4.596 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1ccc(NC(=O)c2ccco2)cc1 ZINC000003437825 568902924 /nfs/dbraw/zinc/90/29/24/568902924.db2.gz BZGZTVKRILLLRR-CYBMUJFWSA-N 0 0 414.845 4.600 50 0 HJAARN Cc1ccc(Cl)c(NC(=O)COC(=O)CSCc2ccc(F)cc2)c1Cl ZINC000003450791 568905551 /nfs/dbraw/zinc/90/55/51/568905551.db2.gz RYXQESOQKNFFDQ-UHFFFAOYSA-N 0 0 416.301 4.856 50 0 HJAARN COc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1N1CCCC1=O ZINC000005440929 568906704 /nfs/dbraw/zinc/90/67/04/568906704.db2.gz UXGDSYQDGPHEDZ-UHFFFAOYSA-N 0 0 400.478 4.670 50 0 HJAARN COC(=O)c1cc(-c2csc(NC(=O)c3sc4cccc(F)c4c3C)n2)c[nH]1 ZINC000030986636 568907603 /nfs/dbraw/zinc/90/76/03/568907603.db2.gz IKVQUSOORTVSQN-UHFFFAOYSA-N 0 0 415.471 4.839 50 0 HJAARN CCOc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)no2)cc1OCC ZINC000263615186 568909986 /nfs/dbraw/zinc/90/99/86/568909986.db2.gz BBCHHJCOKOFJFI-GOSISDBHSA-N 0 0 407.470 4.511 50 0 HJAARN Brc1cccc(-c2noc(-c3ncn4c3CO[C@H](c3ccccc3)C4)n2)c1 ZINC000263616829 568911104 /nfs/dbraw/zinc/91/11/04/568911104.db2.gz KTCVROTXDKYPLL-KRWDZBQOSA-N 0 0 423.270 4.634 50 0 HJAARN Cc1ccc(Nc2nnc(SCC(=O)N3c4ccccc4C[C@H]3C)s2)cc1C ZINC000003530062 568912876 /nfs/dbraw/zinc/91/28/76/568912876.db2.gz IHPNNKOJSDSGCG-OAHLLOKOSA-N 0 0 410.568 4.968 50 0 HJAARN O=C(c1ccccc1OCc1cn2ccccc2n1)N1CC=C(c2ccccc2)CC1 ZINC000031110838 568914325 /nfs/dbraw/zinc/91/43/25/568914325.db2.gz NAXYTOCXBMIAQB-UHFFFAOYSA-N 0 0 409.489 4.843 50 0 HJAARN CCCCOCCCNC(=O)c1cn(-c2ccc(F)cc2)nc1-c1cccc(C)c1 ZINC000012692352 568915434 /nfs/dbraw/zinc/91/54/34/568915434.db2.gz OVHHORGRFVMUOQ-UHFFFAOYSA-N 0 0 409.505 4.923 50 0 HJAARN Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)N4C[C@@H](C)O[C@H](C)C4)cc3)sc2c1 ZINC000012692028 568915546 /nfs/dbraw/zinc/91/55/46/568915546.db2.gz LPMKVJILDYTVAH-ZACQAIPSSA-N 0 0 409.555 4.708 50 0 HJAARN CC(C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000003561245 568915900 /nfs/dbraw/zinc/91/59/00/568915900.db2.gz HGIBPPVAZOFDTF-UHFFFAOYSA-N 0 0 400.544 4.627 50 0 HJAARN COc1cccc(CN(C)CC(=O)Nc2cc3oc4ccccc4c3cc2OC)c1 ZINC000003584147 568917233 /nfs/dbraw/zinc/91/72/33/568917233.db2.gz FQZCHANAEYQATI-UHFFFAOYSA-N 0 0 404.466 4.674 50 0 HJAARN Cc1ccc([C@H]2CCN(C(=O)c3ccc(CS(=O)(=O)c4ccccc4C)o3)C2)cc1 ZINC000003589103 568917890 /nfs/dbraw/zinc/91/78/90/568917890.db2.gz XJHGJDQEFBIYNY-FQEVSTJZSA-N 0 0 423.534 4.500 50 0 HJAARN O=C(NCc1ccco1)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)S2 ZINC000003589478 568917967 /nfs/dbraw/zinc/91/79/67/568917967.db2.gz OZLXWYZWNHGWGI-VXLYETTFSA-N 0 0 410.882 4.948 50 0 HJAARN O=C(Nc1cc(F)ccc1F)c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1)c2=O ZINC000003630382 568921205 /nfs/dbraw/zinc/92/12/05/568921205.db2.gz BLSZDTYIYRSVPJ-UHFFFAOYSA-N 0 0 409.417 4.579 50 0 HJAARN Nc1c(C(=O)NCc2ccccc2)sc(=S)n1-c1cccc(C(F)(F)F)c1 ZINC000003632814 568921306 /nfs/dbraw/zinc/92/13/06/568921306.db2.gz VMJKAMXSEMICEY-UHFFFAOYSA-N 0 0 409.458 4.799 50 0 HJAARN O=C1[C@@H]2[C@@H](C(=O)N1OCc1ccc(Cl)cc1)C1c3ccccc3C2c2ccccc21 ZINC000001383923 568922163 /nfs/dbraw/zinc/92/21/63/568922163.db2.gz FMRSLHQFDBKMEI-BBITVKMKSA-N 0 0 415.876 4.664 50 0 HJAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(C)c(F)c3)c3ccccc3C(=O)N2C)cc1 ZINC000003657668 568923157 /nfs/dbraw/zinc/92/31/57/568923157.db2.gz IOQLKRTYVDNWSG-XZOQPEGZSA-N 0 0 418.468 4.692 50 0 HJAARN CCOC(CNC(=O)c1cc(Sc2ccc(F)cc2)nc2ccccc21)OCC ZINC000003658371 568923215 /nfs/dbraw/zinc/92/32/15/568923215.db2.gz VVXFAWKVNTULKF-UHFFFAOYSA-N 0 0 414.502 4.654 50 0 HJAARN Cn1c(-c2ccccc2)c(-c2ccccc2)nc1S(=O)(=O)Cc1ccc(F)cc1 ZINC000001388803 568923281 /nfs/dbraw/zinc/92/32/81/568923281.db2.gz CICRPLRRCDCMLF-UHFFFAOYSA-N 0 0 406.482 4.867 50 0 HJAARN O=C(c1ccccc1Cl)c1nn(-c2cccc(Cl)c2)c(=O)cc1C(F)(F)F ZINC000001389660 568923375 /nfs/dbraw/zinc/92/33/75/568923375.db2.gz BTKSFAKOVHBPBT-UHFFFAOYSA-N 0 0 413.182 4.789 50 0 HJAARN O=C(c1ccc(Cl)cc1)c1nn(-c2ccccc2Cl)c(=O)cc1C(F)(F)F ZINC000001389630 568923481 /nfs/dbraw/zinc/92/34/81/568923481.db2.gz YDQDITMUHIWTDH-UHFFFAOYSA-N 0 0 413.182 4.789 50 0 HJAARN COC(=O)c1cccc2c1CCCN2C(=O)c1ccc(Sc2ccccn2)cc1 ZINC000083897433 568923732 /nfs/dbraw/zinc/92/37/32/568923732.db2.gz VVPJEEJOYOSJLM-UHFFFAOYSA-N 0 0 404.491 4.612 50 0 HJAARN COc1ccc(CCN(Cc2ccccn2)C(=S)Nc2ccccc2C)cc1OC ZINC000003662251 568923888 /nfs/dbraw/zinc/92/38/88/568923888.db2.gz XOGLWBYBIRQUFK-UHFFFAOYSA-N 0 0 421.566 4.849 50 0 HJAARN COc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)OC2(CCCCC2)CC4=O)cc1O ZINC000218042661 568924780 /nfs/dbraw/zinc/92/47/80/568924780.db2.gz VHPFFBMIWHFYAO-INIZCTEOSA-N 0 0 408.450 4.510 50 0 biogenic HJAARN O=C(CSCc1csc(-c2ccco2)n1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000031420661 568925879 /nfs/dbraw/zinc/92/58/79/568925879.db2.gz TYRWRAAKODKKCP-UHFFFAOYSA-N 0 0 410.423 4.597 50 0 HJAARN Cc1ccc(CS(=O)(=O)c2nc3c(c(Oc4ccc(F)cc4)n2)CCCC3)cc1 ZINC000001403601 568927553 /nfs/dbraw/zinc/92/75/53/568927553.db2.gz LOIQTOICJOPRDZ-UHFFFAOYSA-N 0 0 412.486 4.569 50 0 HJAARN CNC(=O)c1cnn(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1C(F)(F)F ZINC000001403160 568927620 /nfs/dbraw/zinc/92/76/20/568927620.db2.gz FGRNDGXQEVGJAP-UHFFFAOYSA-N 0 0 421.231 4.681 50 0 HJAARN COc1ccc(-c2cc(NC=O)n(-c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 ZINC000001405045 568927690 /nfs/dbraw/zinc/92/76/90/568927690.db2.gz MUVUOMYHYTZRCG-UHFFFAOYSA-N 0 0 410.886 4.893 50 0 HJAARN COc1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)ccc1OC(C)C ZINC000012746263 568931544 /nfs/dbraw/zinc/93/15/44/568931544.db2.gz OSENPJLHUVYYDX-LJQANCHMSA-N 0 0 411.498 4.621 50 0 HJAARN CCCCOc1ccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OCC ZINC000003999925 568932038 /nfs/dbraw/zinc/93/20/38/568932038.db2.gz HXKJTQQHPPEFCK-BOMYWPOKSA-N 0 0 420.553 4.901 50 0 biogenic HJAARN Cc1ccc([C@@H](NCC(=O)Nc2cc3c(cc2Cl)OCO3)c2ccccc2)cc1 ZINC000012747158 568932748 /nfs/dbraw/zinc/93/27/48/568932748.db2.gz BLLPSCBQGLAYRK-QHCPKHFHSA-N 0 0 408.885 4.695 50 0 HJAARN Cc1noc(C)c1CC(=O)Nc1ccc(Cl)cc1C(=O)N1[C@H](C)CCC[C@H]1C ZINC000084023112 568933087 /nfs/dbraw/zinc/93/30/87/568933087.db2.gz DTZOEJNIDIUNNA-CHWSQXEVSA-N 0 0 403.910 4.529 50 0 HJAARN Cc1noc(C)c1CC(=O)Nc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000084023110 568933101 /nfs/dbraw/zinc/93/31/01/568933101.db2.gz DTZOEJNIDIUNNA-STQMWFEESA-N 0 0 403.910 4.529 50 0 HJAARN CC(C)[C@@H](NC(=O)Cn1cnc2cc(-c3ccccc3)sc2c1=O)c1ccccc1 ZINC000012747532 568933451 /nfs/dbraw/zinc/93/34/51/568933451.db2.gz WWVDOOAEWWTISW-JOCHJYFZSA-N 0 0 417.534 4.639 50 0 HJAARN CC(C)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000004033379 568935030 /nfs/dbraw/zinc/93/50/30/568935030.db2.gz CXROERRRNBFSKY-OAHLLOKOSA-N 0 0 412.331 4.975 50 0 HJAARN Cc1nn(CC(C)C)c2sc(C(=O)N[C@@H]3CCCOc4ccc(F)cc43)cc12 ZINC000084068004 568935304 /nfs/dbraw/zinc/93/53/04/568935304.db2.gz OWKKHRAMGUFCML-QGZVFWFLSA-N 0 0 401.507 4.845 50 0 HJAARN O=S(=O)(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccc(Cl)cc1 ZINC000004036366 568935518 /nfs/dbraw/zinc/93/55/18/568935518.db2.gz PBMBMKRKMYRUNI-UHFFFAOYSA-N 0 0 401.900 4.813 50 0 HJAARN Cc1oc(C)c(C(=O)NCc2ccccc2-c2ccc(CN3CCCC3=O)cc2)c1C ZINC000012749820 568937785 /nfs/dbraw/zinc/93/77/85/568937785.db2.gz NZBSWKWDBFSVMM-UHFFFAOYSA-N 0 0 416.521 4.924 50 0 HJAARN CCC(CC)C(=O)Nc1nnc(SCc2ccc(Br)cc2)s1 ZINC000004078260 568938788 /nfs/dbraw/zinc/93/87/88/568938788.db2.gz KSJFDEQGFANKSZ-UHFFFAOYSA-N 0 0 400.367 4.968 50 0 HJAARN CCOC(=O)C1=C(CSc2ccc(C)cc2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000001425261 568939030 /nfs/dbraw/zinc/93/90/30/568939030.db2.gz QSKSMTNSLKOVEW-LJQANCHMSA-N 0 0 416.930 4.612 50 0 HJAARN COc1ccc2c(c1OC)C(=O)N1C[C@@H](c3ccccc3)c3c4ccccc4[nH]c3[C@@H]21 ZINC000004084446 568939899 /nfs/dbraw/zinc/93/98/99/568939899.db2.gz QJGVFTGFUHOFRH-MHECFPHRSA-N 0 0 410.473 4.876 50 0 biogenic HJAARN COc1ccc(Cl)cc1C(=O)Nc1nnc(SCc2cccc(F)c2)s1 ZINC000004086636 568940527 /nfs/dbraw/zinc/94/05/27/568940527.db2.gz YBVOQUUTYPHZCR-UHFFFAOYSA-N 0 0 409.895 4.884 50 0 HJAARN CCOC(=O)c1c(NC(=O)c2ccc(Cl)s2)sc2c1CCN(C(C)C)C2 ZINC000004086904 568940627 /nfs/dbraw/zinc/94/06/27/568940627.db2.gz VFGRTNABKCHLDW-UHFFFAOYSA-N 0 0 412.964 4.659 50 0 HJAARN Cc1cc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc(C)c1OC(F)F ZINC000015504083 568940725 /nfs/dbraw/zinc/94/07/25/568940725.db2.gz VITBPLWWCAQDRO-UZLBHIALSA-N 0 0 402.441 4.650 50 0 HJAARN COc1cccc(CNC(=O)Cc2c(C)c3c4oc(C)c(C)c4c(C)cc3oc2=O)c1 ZINC000004089854 568941878 /nfs/dbraw/zinc/94/18/78/568941878.db2.gz FTWUGKXTSYXLTH-UHFFFAOYSA-N 0 0 419.477 4.640 50 0 biogenic HJAARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 ZINC000004090517 568942030 /nfs/dbraw/zinc/94/20/30/568942030.db2.gz FXCLZJCYMBPDFM-UHFFFAOYSA-N 0 0 421.522 4.956 50 0 HJAARN NC(=O)CSc1ccccc1C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 ZINC000012755757 568942897 /nfs/dbraw/zinc/94/28/97/568942897.db2.gz MMEGOFMHSSMGOE-UHFFFAOYSA-N 0 0 402.475 4.930 50 0 HJAARN CCCCC1CCC(C(=O)Nc2c3c(nn2-c2ccccc2C)C[S@@](=O)C3)CC1 ZINC000004105947 568943132 /nfs/dbraw/zinc/94/31/32/568943132.db2.gz LUSZPVWFGPWQAK-YWCBUYMOSA-N 0 0 413.587 4.878 50 0 HJAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)c1cccnc1 ZINC000012757958 568943276 /nfs/dbraw/zinc/94/32/76/568943276.db2.gz CCXZFTFZZUTDTP-UHFFFAOYSA-N 0 0 402.885 4.860 50 0 HJAARN CC(=O)Nc1cc(NC(=O)c2c3cc(C)ccc3nc3c2CCCC3)c(F)cc1F ZINC000084208153 568944635 /nfs/dbraw/zinc/94/46/35/568944635.db2.gz XGWNDVIUSIHHNP-UHFFFAOYSA-N 0 0 409.436 4.911 50 0 HJAARN Cc1ccc([C@]2(C)NC(=O)N(Cc3cnc(-c4ccc(C(C)C)cc4)s3)C2=O)o1 ZINC000084195220 568944641 /nfs/dbraw/zinc/94/46/41/568944641.db2.gz HPQQJVWPZANNRX-QFIPXVFZSA-N 0 0 409.511 4.802 50 0 HJAARN COC(=O)c1ccc(COc2ccc([C@@H]3O[C@@H](C)CC(C)(C)O3)cc2OC)cc1 ZINC000004124554 568945166 /nfs/dbraw/zinc/94/51/66/568945166.db2.gz BOSRAXUTTJUQRJ-OYHNWAKOSA-N 0 0 400.471 4.663 50 0 HJAARN COc1ccccc1CN(C)C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C ZINC000012762129 568946316 /nfs/dbraw/zinc/94/63/16/568946316.db2.gz GQLYJMCZGNGYKZ-UHFFFAOYSA-N 0 0 414.509 4.960 50 0 HJAARN COc1ccc([C@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)c2cccs2)cc1 ZINC000004142161 568946418 /nfs/dbraw/zinc/94/64/18/568946418.db2.gz BVQXTGXJFDJQDB-LJQANCHMSA-N 0 0 422.506 4.765 50 0 HJAARN O=C(CSCc1ccccc1)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000012763646 568947082 /nfs/dbraw/zinc/94/70/82/568947082.db2.gz GHWQSLRRMRSIAE-UHFFFAOYSA-N 0 0 416.344 4.566 50 0 HJAARN CC(=O)c1c(C)nc(-c2ccco2)nc1S[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000012765613 568948319 /nfs/dbraw/zinc/94/83/19/568948319.db2.gz LNJXYQVZZRFYNU-INIZCTEOSA-N 0 0 409.511 4.984 50 0 HJAARN COc1cc(NC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)cc(OC)c1OC ZINC000012767457 568949454 /nfs/dbraw/zinc/94/94/54/568949454.db2.gz DHQCMFSDDWQYQD-UHFFFAOYSA-N 0 0 423.893 4.662 50 0 HJAARN O=C(Nc1ncc(Cc2ccc(F)cc2F)s1)c1cnc(-c2ccccc2)nc1 ZINC000084564862 568951177 /nfs/dbraw/zinc/95/11/77/568951177.db2.gz KZTHJUWVAZXKEV-UHFFFAOYSA-N 0 0 408.433 4.721 50 0 HJAARN O=C(NCc1ccc(N2CCCC2=O)cc1)c1c(Cl)nc2ccccc2c1Cl ZINC000084587575 568951467 /nfs/dbraw/zinc/95/14/67/568951467.db2.gz PUKKPHKIIPOFDZ-UHFFFAOYSA-N 0 0 414.292 4.598 50 0 HJAARN Cc1c(NC(=O)C2(c3ccccc3)CC2)cccc1C(=O)N1CCc2sccc2C1 ZINC000012770742 568951475 /nfs/dbraw/zinc/95/14/75/568951475.db2.gz HTZNKWAJGJSDRB-UHFFFAOYSA-N 0 0 416.546 4.925 50 0 HJAARN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)[C@@H]1COc2ccccc2O1 ZINC000004224258 568952448 /nfs/dbraw/zinc/95/24/48/568952448.db2.gz ZODWVVBKOFVBRB-INIZCTEOSA-N 0 0 407.278 4.895 50 0 HJAARN CCOc1c(Cl)cc(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)cc1OC ZINC000012772708 568952762 /nfs/dbraw/zinc/95/27/62/568952762.db2.gz KGIOFAJBCHAMJV-UHFFFAOYSA-N 0 0 423.966 4.688 50 0 HJAARN CC(C)Oc1ncc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1Cl ZINC000059420949 568953321 /nfs/dbraw/zinc/95/33/21/568953321.db2.gz MWCXUZXHUFDNFI-UHFFFAOYSA-N 0 0 405.882 4.961 50 0 HJAARN CCc1ccc(NC(=O)CSc2ccc3nc(-c4ccc(OC)cc4)cn3n2)cc1 ZINC000004251208 568955220 /nfs/dbraw/zinc/95/52/20/568955220.db2.gz KKMZIOARBBWZPX-UHFFFAOYSA-N 0 0 418.522 4.698 50 0 HJAARN CCCCc1noc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)n1 ZINC000012777622 568955872 /nfs/dbraw/zinc/95/58/72/568955872.db2.gz SIWDDQAJHZYLNJ-DEOSSOPVSA-N 0 0 407.514 4.577 50 0 HJAARN O=C(CN[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000012780762 568957597 /nfs/dbraw/zinc/95/75/97/568957597.db2.gz KHHALGVCADTKEB-QHCPKHFHSA-N 0 0 419.431 4.598 50 0 HJAARN O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1cccc(C(F)(F)F)c1 ZINC000004275381 568957993 /nfs/dbraw/zinc/95/79/93/568957993.db2.gz YWPUBWNWPQUZPW-UHFFFAOYSA-N 0 0 406.385 4.852 50 0 HJAARN O=C(CSc1nc2ccccc2o1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012785826 568960058 /nfs/dbraw/zinc/96/00/58/568960058.db2.gz ZBGHGKPKVKXTTH-AWEZNQCLSA-N 0 0 409.536 4.936 50 0 HJAARN CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc(C3CCCCC3)cc2)C1=O ZINC000004305738 568960507 /nfs/dbraw/zinc/96/05/07/568960507.db2.gz YENSLBUMEMWSDJ-VWLOTQADSA-N 0 0 404.510 4.774 50 0 HJAARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4Cc5c(c(C)nn5C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000229853089 568960772 /nfs/dbraw/zinc/96/07/72/568960772.db2.gz LFSRWPRCKLPVBQ-HVCBDKPISA-N 0 0 410.558 4.760 50 0 biogenic HJAARN COc1cc(C(=O)Nc2cccc(-c3nc4cccnc4s3)c2)cc(OC)c1OC ZINC000015674439 568962763 /nfs/dbraw/zinc/96/27/63/568962763.db2.gz IQGMYLAITMBQAE-UHFFFAOYSA-N 0 0 421.478 4.636 50 0 HJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc(Cl)nc1)CC2 ZINC000007979641 568963358 /nfs/dbraw/zinc/96/33/58/568963358.db2.gz ZEFMUUNNEKYTRB-HXUWFJFHSA-N 0 0 414.914 4.602 50 0 HJAARN Cc1ccn2c(c1)nc(-c1cccs1)c2NC(=O)C[C@@H]1OC(=O)c2ccccc21 ZINC000007987322 568965215 /nfs/dbraw/zinc/96/52/15/568965215.db2.gz GMVDTOGLWTUBIJ-INIZCTEOSA-N 0 0 403.463 4.612 50 0 HJAARN CCc1ccc(NC(=O)CCCN2c3ncccc3O[C@H](c3ccccc3)C2=O)cc1 ZINC000015677900 568966160 /nfs/dbraw/zinc/96/61/60/568966160.db2.gz DPZHUDUVWKHIDO-HSZRJFAPSA-N 0 0 415.493 4.530 50 0 HJAARN O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000007989935 568966689 /nfs/dbraw/zinc/96/66/89/568966689.db2.gz JBAQREOYBHLJFL-GOSISDBHSA-N 0 0 404.491 4.563 50 0 HJAARN COc1ccc2cc([C@H](C)C(=O)NCC(=O)Nc3cccc(Cl)c3C)ccc2c1 ZINC000007990637 568966986 /nfs/dbraw/zinc/96/69/86/568966986.db2.gz BMHOKOSXQMUODA-AWEZNQCLSA-N 0 0 410.901 4.669 50 0 HJAARN COc1ccc(OC)c(CCNC(=O)Cn2c(-c3cccs3)cc3ccccc32)c1 ZINC000015679528 568967136 /nfs/dbraw/zinc/96/71/36/568967136.db2.gz FPEOZRBWOGAHNI-UHFFFAOYSA-N 0 0 420.534 4.746 50 0 HJAARN COc1ccc(CCNC(=O)Cn2c(-c3cccs3)cc3ccccc32)c(OC)c1 ZINC000015679526 568967204 /nfs/dbraw/zinc/96/72/04/568967204.db2.gz PBEDKQXTUCRAQF-UHFFFAOYSA-N 0 0 420.534 4.746 50 0 HJAARN C[C@@H]1Oc2ccc(NC(=O)c3cc(-c4cccs4)nc4ccccc43)cc2NC1=O ZINC000008014785 568968514 /nfs/dbraw/zinc/96/85/14/568968514.db2.gz YIOUBZZBCRYEBE-ZDUSSCGKSA-N 0 0 415.474 4.935 50 0 HJAARN NC(=O)c1c(NC(=O)c2ccccc2OCc2ccccc2)sc2c1CCCC2 ZINC000008037379 568969885 /nfs/dbraw/zinc/96/98/85/568969885.db2.gz KOLLUWDRDOROOJ-UHFFFAOYSA-N 0 0 406.507 4.557 50 0 HJAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000008039883 568970294 /nfs/dbraw/zinc/97/02/94/568970294.db2.gz YHWRBLIFNWRYFG-KRWDZBQOSA-N 0 0 422.916 4.515 50 0 HJAARN O=C(COc1ccc(F)cc1Cl)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008070168 568971336 /nfs/dbraw/zinc/97/13/36/568971336.db2.gz ZZYIXOIDHDDKAN-ZDUSSCGKSA-N 0 0 404.894 4.874 50 0 HJAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000008072264 568971490 /nfs/dbraw/zinc/97/14/90/568971490.db2.gz SGHICSAXWVIIJK-LJQANCHMSA-N 0 0 400.459 4.684 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)CN(C)Cc1csc(-c2ccc(C)cc2)n1 ZINC000008092840 568973477 /nfs/dbraw/zinc/97/34/77/568973477.db2.gz ORHIZCCGTVPIMV-UHFFFAOYSA-N 0 0 415.946 4.851 50 0 HJAARN COc1cc2c(cc1OC)CN(C(=O)COc1ccc3oc4ccccc4c3c1)CC2 ZINC000008099450 568973836 /nfs/dbraw/zinc/97/38/36/568973836.db2.gz NBKDIOFKLYUDGS-UHFFFAOYSA-N 0 0 417.461 4.567 50 0 HJAARN Cc1cc(-c2csc(CC(=O)NCc3ccccc3)n2)c(C)n1Cc1ccco1 ZINC000008103165 568973947 /nfs/dbraw/zinc/97/39/47/568973947.db2.gz FNZSGBBDTLOMIW-UHFFFAOYSA-N 0 0 405.523 4.729 50 0 HJAARN COc1cc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc(OC)c1OC ZINC000008115168 568974305 /nfs/dbraw/zinc/97/43/05/568974305.db2.gz WAEHEMMMKMZONH-OAQYLSRUSA-N 0 0 409.507 4.562 50 0 HJAARN COc1ccc(-c2nnc(SCC(=O)c3ccc4ccccc4c3)o2)c(OC)c1 ZINC000008131025 568975311 /nfs/dbraw/zinc/97/53/11/568975311.db2.gz KSPIPRSTHCETKL-UHFFFAOYSA-N 0 0 406.463 4.882 50 0 HJAARN O=C(COc1ccccc1-c1ccccc1)Nc1ccccc1C(=O)N1CCCCC1 ZINC000008132004 568975633 /nfs/dbraw/zinc/97/56/33/568975633.db2.gz XABRGQNKFZUCNR-UHFFFAOYSA-N 0 0 414.505 4.997 50 0 HJAARN O=C(C[C@@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O)Nc1ccc(F)cc1F ZINC000015720983 568976507 /nfs/dbraw/zinc/97/65/07/568976507.db2.gz HYNKQCAWWPTYRZ-NRFANRHFSA-N 0 0 410.395 4.830 50 0 HJAARN CCc1ccccc1NC(=O)C[C@@H](c1ccc(OC)cc1)N1Cc2ccccc2C1=O ZINC000015720926 568976581 /nfs/dbraw/zinc/97/65/81/568976581.db2.gz CCHDYXJNSRJIAA-DEOSSOPVSA-N 0 0 414.505 4.984 50 0 HJAARN COCCn1c2ccccc2nc1SCC(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000008135072 568976716 /nfs/dbraw/zinc/97/67/16/568976716.db2.gz WJCMCXXLEVYNLL-UHFFFAOYSA-N 0 0 423.538 4.717 50 0 HJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1 ZINC000008136872 568977153 /nfs/dbraw/zinc/97/71/53/568977153.db2.gz VIAQQKMDVJCPDY-UHFFFAOYSA-N 0 0 411.461 4.991 50 0 HJAARN O=C(CSc1nc2ccccc2[nH]1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000008155978 568977728 /nfs/dbraw/zinc/97/77/28/568977728.db2.gz WNMBWXLKPSJZDX-UHFFFAOYSA-N 0 0 408.552 4.671 50 0 HJAARN COc1cccc2c(NC(=O)c3ccncc3)c(C(=O)c3ccc(Cl)cc3)oc21 ZINC000015729433 568979793 /nfs/dbraw/zinc/97/97/93/568979793.db2.gz UVQWNKPKRAVXNT-UHFFFAOYSA-N 0 0 406.825 4.973 50 0 HJAARN C[C@@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)C(=O)c1ccccc1 ZINC000008191551 568981381 /nfs/dbraw/zinc/98/13/81/568981381.db2.gz ADEYIFVRUGWELT-QGZVFWFLSA-N 0 0 400.507 4.752 50 0 HJAARN COCCNc1nnc(Sc2nc(C)nc3scc(-c4ccccc4)c32)s1 ZINC000008201310 568982581 /nfs/dbraw/zinc/98/25/81/568982581.db2.gz UBNJZXWQBPIXQO-UHFFFAOYSA-N 0 0 415.569 4.728 50 0 HJAARN C[C@@H](Sc1nnnn1C1CCCC1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000012811780 568985742 /nfs/dbraw/zinc/98/57/42/568985742.db2.gz YBSXZHWGYQDEGQ-OAHLLOKOSA-N 0 0 409.515 4.700 50 0 HJAARN O=C(c1ccc(Br)s1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008265047 568985826 /nfs/dbraw/zinc/98/58/26/568985826.db2.gz HZIOEQLBMSWALM-CYBMUJFWSA-N 0 0 408.317 4.649 50 0 HJAARN COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCCC2)c(OC)c1 ZINC000085412377 568986186 /nfs/dbraw/zinc/98/61/86/568986186.db2.gz WSPHPFFTYDMEGB-IBGZPJMESA-N 0 0 401.532 4.975 50 0 HJAARN C[C@H](NC(=O)COc1ccccc1C(=O)Nc1ccccc1)c1cc2ccccc2o1 ZINC000008271851 568986422 /nfs/dbraw/zinc/98/64/22/568986422.db2.gz BFTLZZVEULCHOO-KRWDZBQOSA-N 0 0 414.461 4.941 50 0 HJAARN COC(=O)c1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000001453988 568986757 /nfs/dbraw/zinc/98/67/57/568986757.db2.gz ZTZWOMJFTTYCFR-PGRDOPGGSA-N 0 0 420.490 4.786 50 0 HJAARN O=C(CSc1nc2ccccc2o1)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000008280447 568987530 /nfs/dbraw/zinc/98/75/30/568987530.db2.gz KKCLHWKHLGLIQP-UHFFFAOYSA-N 0 0 406.492 4.935 50 0 HJAARN CCCCOc1ccc(C(=O)N2CCn3cccc3[C@H]2c2cccc(OC)c2)cc1 ZINC000006051175 568988080 /nfs/dbraw/zinc/98/80/80/568988080.db2.gz KPGOQQSMDKTBBG-XMMPIXPASA-N 0 0 404.510 4.921 50 0 HJAARN O=S(=O)(c1cccc(-c2nnc(SCC3CCCCC3)o2)c1)N1CCCCC1 ZINC000006054831 568988796 /nfs/dbraw/zinc/98/87/96/568988796.db2.gz TWLKJJDMGVGLNV-UHFFFAOYSA-N 0 0 421.588 4.584 50 0 HJAARN CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)c3cccnc3Cl)n2)cc1 ZINC000006064351 568991517 /nfs/dbraw/zinc/99/15/17/568991517.db2.gz ZNFWRFHSFMRZAT-LBPRGKRZSA-N 0 0 415.902 4.605 50 0 HJAARN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1c(OC)ccc2ccccc21 ZINC000001467241 568991785 /nfs/dbraw/zinc/99/17/85/568991785.db2.gz KLTJOAFDWSHUQM-HSZRJFAPSA-N 0 0 416.477 4.562 50 0 HJAARN COc1ccc(-c2nc(NC(=O)[C@H]3Cc4cc(Cl)ccc4O3)sc2C)cc1 ZINC000008328071 568992505 /nfs/dbraw/zinc/99/25/05/568992505.db2.gz PWRGEUZSOIIBKK-QGZVFWFLSA-N 0 0 400.887 4.723 50 0 HJAARN Cc1ccc(/C=C/C(=O)NC2CCC(NC(=O)/C=C\c3ccc(C)cc3)CC2)cc1 ZINC000006076554 568992861 /nfs/dbraw/zinc/99/28/61/568992861.db2.gz WDGLYDUVXKTXOY-MJZABRMRSA-N 0 0 402.538 4.574 50 0 HJAARN CN(Cc1ccc2c(c1)OCCO2)c1ncnc2cc(-c3ccc(F)cc3)sc21 ZINC000008346225 568994878 /nfs/dbraw/zinc/99/48/78/568994878.db2.gz AMGOHHGKXABYEU-UHFFFAOYSA-N 0 0 407.470 4.905 50 0 HJAARN COc1cc(CNC(=O)c2ccc(C3SCCCS3)cc2)cc(OC)c1OC ZINC000008361717 568995261 /nfs/dbraw/zinc/99/52/61/568995261.db2.gz JJTLDVUHYSWKHW-UHFFFAOYSA-N 0 0 419.568 4.511 50 0 HJAARN O=C(CCc1cnn(-c2ccccc2)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008367490 568995512 /nfs/dbraw/zinc/99/55/12/568995512.db2.gz RPDAGHWFMUBQBO-LJQANCHMSA-N 0 0 416.550 4.821 50 0 HJAARN Cc1nc(Nc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)cc(-n2cccn2)n1 ZINC000038488255 568997637 /nfs/dbraw/zinc/99/76/37/568997637.db2.gz HWCOVNGXMWUZFS-UHFFFAOYSA-N 0 0 418.888 4.549 50 0 HJAARN COc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1N1CCCCC1=O ZINC000038489800 568997699 /nfs/dbraw/zinc/99/76/99/568997699.db2.gz DNWURUSPAPMINI-UHFFFAOYSA-N 0 0 407.392 4.875 50 0 HJAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(C)c(F)c3)C(=O)C2)cc1 ZINC000015770928 568997900 /nfs/dbraw/zinc/99/79/00/568997900.db2.gz JQSPKJSSPQWPFB-UHFFFAOYSA-N 0 0 415.468 4.939 50 0 HJAARN C[C@H]1Cc2cc(-c3cc(CC(=O)Nc4ccccc4C(F)(F)F)no3)ccc2O1 ZINC000038498501 568998020 /nfs/dbraw/zinc/99/80/20/568998020.db2.gz XLLUXWYSTXPLHA-LBPRGKRZSA-N 0 0 402.372 4.865 50 0 HJAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)NCCc1ccccc1 ZINC000008392497 568998486 /nfs/dbraw/zinc/99/84/86/568998486.db2.gz NAAIPVGNPWAEQX-UHFFFAOYSA-N 0 0 410.521 4.923 50 0 HJAARN COc1cc(C)c(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1OC ZINC000008392347 568998509 /nfs/dbraw/zinc/99/85/09/568998509.db2.gz RDLXBLXKFJHPHI-UHFFFAOYSA-N 0 0 414.465 4.512 50 0 HJAARN COc1ccc(Cn2c(C)c(C[NH2+]C[C@@H](C)c3ccccc3)c(C(=O)[O-])c2C)cc1 ZINC000015777160 568999554 /nfs/dbraw/zinc/99/95/54/568999554.db2.gz JBLHSWKPHBRKRZ-QGZVFWFLSA-N 0 0 406.526 4.753 50 0 HJAARN O=C(Nc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1)c1ccco1 ZINC000008395755 568999572 /nfs/dbraw/zinc/99/95/72/568999572.db2.gz WLNNUXIAWZSVLG-UHFFFAOYSA-N 0 0 404.422 4.826 50 0 HJAARN CCOc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2C)cc1 ZINC000035170924 569002079 /nfs/dbraw/zinc/00/20/79/569002079.db2.gz RFUZRHHAYJNCCI-LJQANCHMSA-N 0 0 403.482 4.505 50 0 HJAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000008429312 569002630 /nfs/dbraw/zinc/00/26/30/569002630.db2.gz LSDARTWJEPNTKX-UHFFFAOYSA-N 0 0 413.930 4.861 50 0 HJAARN Cc1csc(NC(=O)c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)n1 ZINC000063688655 569003081 /nfs/dbraw/zinc/00/30/81/569003081.db2.gz JKBVSMVAVPZYPX-UHFFFAOYSA-N 0 0 414.327 4.586 50 0 HJAARN Cc1ccc(-c2nccc(N3CCC(C(=O)Nc4ccc(C)cc4C)CC3)n2)cc1 ZINC000085649282 569005568 /nfs/dbraw/zinc/00/55/68/569005568.db2.gz VJNIODADROHYJH-UHFFFAOYSA-N 0 0 400.526 4.924 50 0 HJAARN COc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(c1cccc3ccccc31)C2=O ZINC000001506032 569006817 /nfs/dbraw/zinc/00/68/17/569006817.db2.gz UOQOXBDVRRGQRZ-UHFFFAOYSA-N 0 0 422.440 4.901 50 0 HJAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)c2cccc(F)c2)C2CCCCC2)c1C ZINC000085711400 569007167 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Cc1cc(NC(=O)CN[C@H](C)c2ccc(Cl)cc2Cl)n(-c2ccccc2)n1 ZINC000012857832 569011230 /nfs/dbraw/zinc/01/12/30/569011230.db2.gz WDBZDOKNXGOZBR-CQSZACIVSA-N 0 0 403.313 4.777 50 0 HJAARN COc1cnc(CSc2ccc(F)cc2)cc1OCC(=O)Nc1ccc(C)cc1 ZINC000015824690 569011298 /nfs/dbraw/zinc/01/12/98/569011298.db2.gz XKEUOPBMOQWAAO-UHFFFAOYSA-N 0 0 412.486 4.848 50 0 HJAARN Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)n1 ZINC000015824990 569011374 /nfs/dbraw/zinc/01/13/74/569011374.db2.gz WDHDBOWSCLKCSZ-UHFFFAOYSA-N 0 0 422.920 4.536 50 0 HJAARN Cc1oc(-c2ccccc2C)nc1CN1CCN(C(=O)Nc2cc(C)ccc2C)CC1 ZINC000015825932 569011399 /nfs/dbraw/zinc/01/13/99/569011399.db2.gz SVBYSRNNGQPAJN-UHFFFAOYSA-N 0 0 418.541 4.925 50 0 HJAARN Cc1cccc(CN2c3ccccc3S(=O)(=O)N(c3ccc(C)c(F)c3)C2=O)c1 ZINC000015827022 569011599 /nfs/dbraw/zinc/01/15/99/569011599.db2.gz SANVAISDVIEKQA-UHFFFAOYSA-N 0 0 410.470 4.778 50 0 HJAARN CCc1ccc(OCCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)cc1 ZINC000015833701 569012741 /nfs/dbraw/zinc/01/27/41/569012741.db2.gz DOIJFMTYBODBKQ-UHFFFAOYSA-N 0 0 417.509 4.933 50 0 HJAARN Cc1ccc(OCCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)c(C)c1 ZINC000015833692 569012787 /nfs/dbraw/zinc/01/27/87/569012787.db2.gz ZVPZMIXDNWIAET-UHFFFAOYSA-N 0 0 417.509 4.987 50 0 HJAARN COc1ccc(-c2csc(NC(=O)c3csc(-c4ccco4)n3)n2)c(OC)c1 ZINC000012870974 569013285 /nfs/dbraw/zinc/01/32/85/569013285.db2.gz LQFGQPBGMWWXEN-UHFFFAOYSA-N 0 0 413.480 4.796 50 0 HJAARN COC(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)cc1 ZINC000012871995 569013335 /nfs/dbraw/zinc/01/33/35/569013335.db2.gz SMYXYIDCNUYIBC-UHFFFAOYSA-N 0 0 411.461 4.637 50 0 HJAARN COC(=O)c1cc2ccccc2cc1OS(=O)(=O)c1c(Cl)cccc1Cl ZINC000012874288 569013464 /nfs/dbraw/zinc/01/34/64/569013464.db2.gz ZQKJACSOPSPMIJ-UHFFFAOYSA-N 0 0 411.262 4.701 50 0 HJAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1cc(C(C)=O)ccc1OC ZINC000012875543 569013558 /nfs/dbraw/zinc/01/35/58/569013558.db2.gz PEIJINBJZBREKX-UHFFFAOYSA-N 0 0 409.404 4.887 50 0 HJAARN 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Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCCC4)nn3)cc2)c(C)c1 ZINC000015882218 569019026 /nfs/dbraw/zinc/01/90/26/569019026.db2.gz OQGOHYNTIMRKFJ-UHFFFAOYSA-N 0 0 422.554 4.552 50 0 HJAARN Cc1cc(NC(=O)c2ccc(=O)n(Cc3ccccc3C)c2)ccc1Br ZINC000015882982 569019205 /nfs/dbraw/zinc/01/92/05/569019205.db2.gz RNQLXGSGDSJXPS-UHFFFAOYSA-N 0 0 411.299 4.528 50 0 HJAARN CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(=O)NC1CCCCCCC1 ZINC000012900073 569020603 /nfs/dbraw/zinc/02/06/03/569020603.db2.gz VSQRBILKFCUMPC-UHFFFAOYSA-N 0 0 419.587 4.780 50 0 HJAARN Cc1ccc(C2N=NC(=S)N2CC(=O)N(C)Cc2cccc(Cl)c2Cl)cc1 ZINC000012901061 569020781 /nfs/dbraw/zinc/02/07/81/569020781.db2.gz NIJKPTDQZDWKIZ-UHFFFAOYSA-N 0 0 421.353 4.508 50 0 HJAARN O=C(Nc1ccccc1C(=O)N1CCC(c2nc3ccccc3o2)CC1)c1ccco1 ZINC000012901892 569020843 /nfs/dbraw/zinc/02/08/43/569020843.db2.gz AKINILSTQMYCSI-UHFFFAOYSA-N 0 0 415.449 4.693 50 0 HJAARN Cc1c2ccccc2oc1C(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000012907003 569021360 /nfs/dbraw/zinc/02/13/60/569021360.db2.gz 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COc1cccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c1OC ZINC000016047578 569028384 /nfs/dbraw/zinc/02/83/84/569028384.db2.gz YGFVDGVEQOCPCG-UHFFFAOYSA-N 0 0 419.300 4.842 50 0 HJAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)nc2[S@@](=O)c2ccc(Cl)cc2)cc1 ZINC000006183537 569028726 /nfs/dbraw/zinc/02/87/26/569028726.db2.gz XTPZVMWYKOLMQQ-AREMUKBSSA-N 0 0 419.955 4.660 50 0 HJAARN COc1c(Br)c2ccccc2cc1C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000006186251 569029278 /nfs/dbraw/zinc/02/92/78/569029278.db2.gz KOOPMTHFHOQFPT-UHFFFAOYSA-N 0 0 413.271 4.822 50 0 HJAARN Cc1csc2nc(COc3c(Cl)cc(Cl)c4ccc(C)nc43)cc(=O)n12 ZINC000016209454 569029905 /nfs/dbraw/zinc/02/99/05/569029905.db2.gz BJIABZFIYCPPRT-UHFFFAOYSA-N 0 0 406.294 4.807 50 0 HJAARN O=C(/C=C/c1sc2ccccc2c1Cl)OCC(=O)Nc1cccnc1Cl ZINC000006607406 569030719 /nfs/dbraw/zinc/03/07/19/569030719.db2.gz JYXGOWXJPWSTGS-BQYQJAHWSA-N 0 0 407.278 4.798 50 0 HJAARN COC(=O)c1cc(CN(C)[C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)oc1C ZINC000035310642 569031058 /nfs/dbraw/zinc/03/10/58/569031058.db2.gz 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569047004 /nfs/dbraw/zinc/04/70/04/569047004.db2.gz XKPQNZQJSSGXQR-UHFFFAOYSA-N 0 0 404.850 4.532 50 0 HJAARN CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1ccc2c(c1)OCO2 ZINC000018107154 569047218 /nfs/dbraw/zinc/04/72/18/569047218.db2.gz HZUUHPPTERJGMK-UHFFFAOYSA-N 0 0 414.255 4.710 50 0 HJAARN O=C(/C=C/c1ccc(OCc2ccccn2)cc1)NCc1ccc(OC(F)F)cc1 ZINC000036397659 569048049 /nfs/dbraw/zinc/04/80/49/569048049.db2.gz ULSUWTYIGMGPSM-MDWZMJQESA-N 0 0 410.420 4.592 50 0 HJAARN CNC(=O)COc1ccc(/C=C/c2nc3cc(-c4ccccc4)ccc3o2)cc1OC ZINC000040139580 569048140 /nfs/dbraw/zinc/04/81/40/569048140.db2.gz LTCDEHVLFTWVHN-UKTHLTGXSA-N 0 0 414.461 4.799 50 0 HJAARN CCOc1cc(C=CC(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)ccc1OC ZINC000040146843 569048144 /nfs/dbraw/zinc/04/81/44/569048144.db2.gz WYDGANFEPVFWJP-FYWRMAATSA-N 0 0 419.525 4.588 50 0 HJAARN CC(=O)Nc1sc(NC(=O)COc2ccccc2Cl)nc1-c1ccc(C)cc1 ZINC000035671518 569048475 /nfs/dbraw/zinc/04/84/75/569048475.db2.gz NOMSFOXQNXDEGM-UHFFFAOYSA-N 0 0 415.902 4.748 50 0 HJAARN 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4.741 50 0 HJAARN Cc1cccc(NC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccccc3C)C2)c1 ZINC000064452545 569062969 /nfs/dbraw/zinc/06/29/69/569062969.db2.gz INUBIABTHBZXTE-LJQANCHMSA-N 0 0 402.498 4.741 50 0 HJAARN Cc1c(Br)c(C(F)F)nn1[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000006526899 569063162 /nfs/dbraw/zinc/06/31/62/569063162.db2.gz CIRFXZOLAHQFJH-DJCSNXPJSA-N 0 0 416.310 4.538 50 0 HJAARN CCCC(=O)N1CCN(c2nc(CCc3ccccc3)nc3sc(C)c(C)c32)CC1 ZINC000035866720 569063297 /nfs/dbraw/zinc/06/32/97/569063297.db2.gz TUBZNFAIECJVOI-UHFFFAOYSA-N 0 0 422.598 4.542 50 0 HJAARN COc1ccc(-c2csc(C(=O)Nc3ccc(C(N)=O)cc3)c2-n2cccc2)cc1 ZINC000064472802 569063348 /nfs/dbraw/zinc/06/33/48/569063348.db2.gz LGHYDDSEJSUBIP-UHFFFAOYSA-N 0 0 417.490 4.566 50 0 HJAARN CC(C)(C)NC(=O)Nc1c(N)n(-c2ccc(F)cc2)nc1-c1ccc(Cl)cc1 ZINC000035868134 569063449 /nfs/dbraw/zinc/06/34/49/569063449.db2.gz RWMYZOLGDYRWOB-UHFFFAOYSA-N 0 0 401.873 4.834 50 0 HJAARN O=C(c1cnc2ccc(F)cc2c1Nc1cccc(Cl)c1)N1CCSCC1 ZINC000064471679 569063459 /nfs/dbraw/zinc/06/34/59/569063459.db2.gz YPHVXMHMOAONIX-UHFFFAOYSA-N 0 0 401.894 4.960 50 0 HJAARN CC[C@H](C)N1Cc2cc(NC(=O)c3ccc(Cl)cc3)ccc2O[C@H](CC)C1=O ZINC000035873698 569064256 /nfs/dbraw/zinc/06/42/56/569064256.db2.gz RMDGHKGTOOKQRY-IFXJQAMLSA-N 0 0 400.906 4.890 50 0 HJAARN C[C@H]1Oc2ccc(NC(=O)c3ccccc3F)cc2CN(Cc2ccccc2F)C1=O ZINC000035884541 569064584 /nfs/dbraw/zinc/06/45/84/569064584.db2.gz YUPTVFHTGRYUGN-OAHLLOKOSA-N 0 0 422.431 4.527 50 0 HJAARN C[C@@H](NC(=O)[C@H](C)Sc1nc(C2CC2)n(-c2ccccc2)n1)c1ccc(F)cc1 ZINC000006549786 569064893 /nfs/dbraw/zinc/06/48/93/569064893.db2.gz PQPLQQUUAPCSMH-CABCVRRESA-N 0 0 410.518 4.642 50 0 HJAARN C[C@@H](c1ccc(F)cc1)N1Cc2cc(NC(=O)c3cccs3)ccc2OCC1=O ZINC000035909665 569065874 /nfs/dbraw/zinc/06/58/74/569065874.db2.gz GXDKYBJGWDTULY-AWEZNQCLSA-N 0 0 410.470 4.622 50 0 HJAARN CCc1cccc2c([C@H](CC(=O)NCCCOC)c3ccc(F)cc3F)c[nH]c21 ZINC000035910560 569065925 /nfs/dbraw/zinc/06/59/25/569065925.db2.gz IDJKDEXTNWNBOK-LJQANCHMSA-N 0 0 400.469 4.683 50 0 HJAARN O=C(COC(=O)CCCSc1nc2ccccc2[nH]1)Nc1cccc2ccccc21 ZINC000006566850 569066195 /nfs/dbraw/zinc/06/61/95/569066195.db2.gz GAPWHQXXHOHSPH-UHFFFAOYSA-N 0 0 419.506 4.770 50 0 aggregator HJAARN CN(C)c1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC000035928420 569066550 /nfs/dbraw/zinc/06/65/50/569066550.db2.gz WLZACMGOQYVXIK-QFIPXVFZSA-N 0 0 423.563 4.845 50 0 HJAARN C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000006571194 569066653 /nfs/dbraw/zinc/06/66/53/569066653.db2.gz LPAMWOMFYWGENP-RDJZCZTQSA-N 0 0 412.584 4.783 50 0 HJAARN Nc1c2c(nn1-c1ccc(F)cc1)nc(NC1CCCC1)nc2-c1ccc(F)cc1 ZINC000035930123 569066755 /nfs/dbraw/zinc/06/67/55/569066755.db2.gz NTKSHKSVFQNBER-UHFFFAOYSA-N 0 0 406.440 4.697 50 0 HJAARN CCCN(Cc1cc(NC(=O)c2ccco2)ccc1N(C)C)C(=O)c1ccc(F)cc1 ZINC000035944350 569066987 /nfs/dbraw/zinc/06/69/87/569066987.db2.gz VOQSLCOXHZKBEX-UHFFFAOYSA-N 0 0 423.488 4.789 50 0 HJAARN O=C(c1ccccc1F)N(Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000035944451 569067028 /nfs/dbraw/zinc/06/70/28/569067028.db2.gz ATQWQFSVBQSLAH-SFHVURJKSA-N 0 0 424.422 4.940 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)c2cc(N3CCCCC3)c3cc(C)ccc3n2)cc1 ZINC000064568338 569067545 /nfs/dbraw/zinc/06/75/45/569067545.db2.gz IMHZMDCSQRJXQD-UHFFFAOYSA-N 0 0 402.498 4.744 50 0 HJAARN COc1ccc(NC(=O)c2cc(N3CCCCC3)c3cc(C)ccc3n2)cc1OC ZINC000064568320 569067565 /nfs/dbraw/zinc/06/75/65/569067565.db2.gz DYXMSQWVCLTFCZ-UHFFFAOYSA-N 0 0 405.498 4.803 50 0 HJAARN Cc1ccc([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN(C)C(=O)C2CCC2)cc1 ZINC000035949287 569067859 /nfs/dbraw/zinc/06/78/59/569067859.db2.gz SCQKYQYVIXAOHE-XMMPIXPASA-N 0 0 417.553 4.548 50 0 HJAARN COc1ccc(C(C)=O)cc1CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000006589371 569068096 /nfs/dbraw/zinc/06/80/96/569068096.db2.gz AYWDBSHBYORQPY-UHFFFAOYSA-N 0 0 409.507 4.602 50 0 HJAARN COc1ccc(CNC(=O)c2cccc(Oc3cc(-c4ccccc4)ncn3)c2)cc1 ZINC000064578756 569068235 /nfs/dbraw/zinc/06/82/35/569068235.db2.gz QAYXOQYVWTZJHG-UHFFFAOYSA-N 0 0 411.461 4.875 50 0 biogenic HJAARN CCc1nc2sc([C@H](c3cccc(Cl)c3)[NH+]3C[C@H](C)C[C@@H](C)C3)c([O-])n2n1 ZINC000016690100 569070634 /nfs/dbraw/zinc/07/06/34/569070634.db2.gz KNQFVMFTIGUJOB-XNJGSVPQSA-N 0 0 404.967 4.780 50 0 HJAARN CCOP(=O)(OCC)c1nc(-c2ccc(OC)cc2)oc1NCc1ccccc1 ZINC000027025514 569070979 /nfs/dbraw/zinc/07/09/79/569070979.db2.gz ZAYSNEPPUZPFEB-UHFFFAOYSA-N 0 0 416.414 4.854 50 0 HJAARN COc1ccc(-c2cc(CN(Cc3ccco3)C(=O)c3ccc(F)cc3)no2)cc1 ZINC000036001691 569075235 /nfs/dbraw/zinc/07/52/35/569075235.db2.gz OFIWIHRIEPHHBK-UHFFFAOYSA-N 0 0 406.413 4.925 50 0 HJAARN COc1ccc(OC)c(NC(=O)Cc2c(C)c3c4occ(C)c4c(C)cc3oc2=O)c1 ZINC000006624638 569075583 /nfs/dbraw/zinc/07/55/83/569075583.db2.gz IGPOTLUZDIGQPI-UHFFFAOYSA-N 0 0 421.449 4.663 50 0 biogenic HJAARN Cc1ccc([C@H]2c3cccn3CCN2C(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000036009787 569075696 /nfs/dbraw/zinc/07/56/96/569075696.db2.gz IFAHNYDUVOTTPA-SANMLTNESA-N 0 0 415.537 4.764 50 0 HJAARN COc1ccc(-c2cc(CN(CC(C)C)C(=O)c3cccs3)no2)c(OC)c1 ZINC000036012226 569075763 /nfs/dbraw/zinc/07/57/63/569075763.db2.gz IIYQOQXFPQXVAP-UHFFFAOYSA-N 0 0 400.500 4.719 50 0 HJAARN O=C1C[C@H](c2ccc(F)cc2Cl)c2scc(S(=O)(=O)c3ccccc3)c2N1 ZINC000064656676 569076912 /nfs/dbraw/zinc/07/69/12/569076912.db2.gz NAZUWQJTFPXVHP-CQSZACIVSA-N 0 0 421.902 4.848 50 0 HJAARN Cc1cccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2ccccc2F)c1 ZINC000064657046 569077095 /nfs/dbraw/zinc/07/70/95/569077095.db2.gz OZWLTOPHFOTVKA-HNNXBMFYSA-N 0 0 401.484 4.503 50 0 HJAARN CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000064670162 569079110 /nfs/dbraw/zinc/07/91/10/569079110.db2.gz RRYUXJLODLXUOV-UHFFFAOYSA-N 0 0 414.552 4.659 50 0 HJAARN CCc1ccc(CNC(=O)CCc2c(-c3ccc(F)cc3)nc3ccccn32)cc1 ZINC000064675607 569080257 /nfs/dbraw/zinc/08/02/57/569080257.db2.gz LAKAVPMGEZPQSZ-UHFFFAOYSA-N 0 0 401.485 4.952 50 0 HJAARN O=C(CSc1ncnc2sccc21)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000006648089 569080739 /nfs/dbraw/zinc/08/07/39/569080739.db2.gz QFVPYFAQNKTOGV-UHFFFAOYSA-N 0 0 413.524 4.854 50 0 HJAARN CC[C@@H](C)NC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(F)cc2)n1 ZINC000036068568 569085837 /nfs/dbraw/zinc/08/58/37/569085837.db2.gz RCWGQQOBKMSKMD-MRXNPFEDSA-N 0 0 413.468 4.684 50 0 HJAARN CC[C@@H](C)NC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2cccc(C)c2)n1 ZINC000036072510 569086727 /nfs/dbraw/zinc/08/67/27/569086727.db2.gz MUCADMJGMLGFNG-GOSISDBHSA-N 0 0 409.505 4.853 50 0 HJAARN Cc1c(C)c(=O)oc2cc(OCC(=O)Nc3ccc(N4CCC(C)CC4)cc3)ccc12 ZINC000006673166 569087240 /nfs/dbraw/zinc/08/72/40/569087240.db2.gz ZXQFTUIZMPZEKF-UHFFFAOYSA-N 0 0 420.509 4.664 50 0 HJAARN CC1CCN(c2ccc(-c3noc(C(=O)NCc4ccccc4Cl)n3)cc2)CC1 ZINC000064746379 569088360 /nfs/dbraw/zinc/08/83/60/569088360.db2.gz XOSJNQXENHTVIY-UHFFFAOYSA-N 0 0 410.905 4.556 50 0 HJAARN O=C(/C=C/c1ccco1)N1CCC[C@H]1c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000064747158 569088594 /nfs/dbraw/zinc/08/85/94/569088594.db2.gz YDGZMCXXLFNMLA-FDMDGMSGSA-N 0 0 403.360 4.725 50 0 HJAARN Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)NC3CCCCCC3)C2)cc1 ZINC000064747057 569089023 /nfs/dbraw/zinc/08/90/23/569089023.db2.gz SMGKDLBZRSUJOZ-LJQANCHMSA-N 0 0 408.546 4.633 50 0 HJAARN Cc1ccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000036095968 569090111 /nfs/dbraw/zinc/09/01/11/569090111.db2.gz YVOANIYRTYKMGW-MAUKXSAKSA-N 0 0 408.527 4.886 50 0 HJAARN CCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000006695105 569091500 /nfs/dbraw/zinc/09/15/00/569091500.db2.gz BYEFYJSUCVXSRP-SFHVURJKSA-N 0 0 408.395 4.776 50 0 HJAARN COCCN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)C1CCCC1 ZINC000036105450 569092526 /nfs/dbraw/zinc/09/25/26/569092526.db2.gz BFAJVSLAOACGOP-UHFFFAOYSA-N 0 0 408.951 4.541 50 0 HJAARN CCc1csc(-c2ccc(S(=O)(=O)NCc3ccc(F)cc3Cl)s2)n1 ZINC000064769355 569092667 /nfs/dbraw/zinc/09/26/67/569092667.db2.gz MSMMHKIROPHZBC-UHFFFAOYSA-N 0 0 416.952 4.705 50 0 HJAARN COc1ccccc1OCc1nc(CN(C(=O)c2ccc(F)cc2)C(C)C)cs1 ZINC000036105701 569092891 /nfs/dbraw/zinc/09/28/91/569092891.db2.gz TZOMGLFVDLLLHE-UHFFFAOYSA-N 0 0 414.502 4.921 50 0 HJAARN COCCCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)CC(C)C ZINC000036107028 569093229 /nfs/dbraw/zinc/09/32/29/569093229.db2.gz ORNSCRHOWARUPV-UHFFFAOYSA-N 0 0 404.576 4.750 50 0 HJAARN COCCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1ccccc1 ZINC000036107195 569093286 /nfs/dbraw/zinc/09/32/86/569093286.db2.gz LGUPBJDWZYKDQS-UHFFFAOYSA-N 0 0 410.539 4.628 50 0 HJAARN Cc1ccc(CC(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(Cl)cc2)CC3)cc1 ZINC000064775793 569093604 /nfs/dbraw/zinc/09/36/04/569093604.db2.gz ZSUWYQQSALBRKJ-UHFFFAOYSA-N 0 0 418.924 4.710 50 0 HJAARN COc1ccccc1OCc1nc(CN(CC(C)C)C(=O)NC(C)(C)C)cs1 ZINC000036115113 569094160 /nfs/dbraw/zinc/09/41/60/569094160.db2.gz CKIKDABSOHUFMG-UHFFFAOYSA-N 0 0 405.564 4.697 50 0 HJAARN CC[C@H](C)N(Cc1csc(COc2c(OC)cccc2OC)n1)C(=O)C(C)C ZINC000036114941 569094186 /nfs/dbraw/zinc/09/41/86/569094186.db2.gz IYRGHVASRFEMIV-HNNXBMFYSA-N 0 0 406.548 4.522 50 0 HJAARN CCOC(=O)[C@H]1CCCN(C(=O)C[C@@H](c2c[nH]c3ccccc32)c2cccc(F)c2)C1 ZINC000006705853 569095371 /nfs/dbraw/zinc/09/53/71/569095371.db2.gz NMQCVMRAHCRMNI-GHTZIAJQSA-N 0 0 422.500 4.631 50 0 HJAARN CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccccc1OC(F)F ZINC000006711164 569096657 /nfs/dbraw/zinc/09/66/57/569096657.db2.gz HOQJLEFMADRCLC-UHFFFAOYSA-N 0 0 418.469 4.606 50 0 HJAARN COc1ccc(NC(=O)Nc2ccc(Nc3cc(C)nc(N4CCCC4)n3)cc2)cc1 ZINC000064801463 569097153 /nfs/dbraw/zinc/09/71/53/569097153.db2.gz ZNBZMLBCYXJKLX-UHFFFAOYSA-N 0 0 418.501 4.781 50 0 HJAARN CCCCOc1ccc(OC(=O)c2sc3ncn(CCC)c(=O)c3c2C)cc1 ZINC000006720580 569098271 /nfs/dbraw/zinc/09/82/71/569098271.db2.gz NPVHDXDFHGLWCM-UHFFFAOYSA-N 0 0 400.500 4.575 50 0 HJAARN CC(C)NC(=O)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C1CCCCC1 ZINC000006722545 569099718 /nfs/dbraw/zinc/09/97/18/569099718.db2.gz MENSWKFKAYBMLA-UHFFFAOYSA-N 0 0 414.594 4.744 50 0 HJAARN CN(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)CC(C)(C)C)c2)cc1 ZINC000006724360 569100054 /nfs/dbraw/zinc/10/00/54/569100054.db2.gz OFTMIDPVAQLXMD-JOCHJYFZSA-N 0 0 411.571 4.906 50 0 HJAARN CCOc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 ZINC000006725269 569100890 /nfs/dbraw/zinc/10/08/90/569100890.db2.gz QFFPBDKFBFESAN-RTWAWAEBSA-N 0 0 406.507 4.696 50 0 HJAARN CCn1nc(C)c2nc(SCc3ccccc3)n(Cc3ccccc3Cl)c(=O)c21 ZINC000064817329 569100962 /nfs/dbraw/zinc/10/09/62/569100962.db2.gz WHGDNEZWQGVVAN-UHFFFAOYSA-N 0 0 424.957 4.915 50 0 HJAARN Cc1cccc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)c1C ZINC000006736965 569104835 /nfs/dbraw/zinc/10/48/35/569104835.db2.gz YMPQBZXLDWKIMM-UHFFFAOYSA-N 0 0 413.905 4.823 50 0 HJAARN COc1ccc(NS(=O)(=O)c2cc(-c3c(C)noc3C)ccc2C)cc1Cl ZINC000064837579 569104836 /nfs/dbraw/zinc/10/48/36/569104836.db2.gz PXLLMOLCPYLDJZ-UHFFFAOYSA-N 0 0 406.891 4.730 50 0 HJAARN CN(CCc1noc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000064840100 569105440 /nfs/dbraw/zinc/10/54/40/569105440.db2.gz UFEGGEWDHDXXGF-UHFFFAOYSA-N 0 0 409.248 4.889 50 0 HJAARN Cc1ccc(OCc2nc(CCN(C)C(=O)Nc3ccc(C)c(C)c3)no2)c(C)c1 ZINC000064840579 569105766 /nfs/dbraw/zinc/10/57/66/569105766.db2.gz PDJSGKNCEZJTST-UHFFFAOYSA-N 0 0 408.502 4.589 50 0 HJAARN Cc1ccccc1Cn1c2c3ccccc3sc2c(=O)n(-c2ccc(F)cc2)c1=O ZINC000006739255 569105863 /nfs/dbraw/zinc/10/58/63/569105863.db2.gz JXGBZCQAGSCJSI-UHFFFAOYSA-N 0 0 416.477 4.863 50 0 HJAARN Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000006737811 569106301 /nfs/dbraw/zinc/10/63/01/569106301.db2.gz HFPPHLCEVHSYPL-UHFFFAOYSA-N 0 0 414.296 4.772 50 0 HJAARN O=C(Nc1cccc([C@H]2SCC(=O)N2c2cccc(F)c2)c1)c1cccc(F)c1 ZINC000006739790 569106654 /nfs/dbraw/zinc/10/66/54/569106654.db2.gz HKSGPJTUDWSCMF-JOCHJYFZSA-N 0 0 410.445 4.996 50 0 HJAARN C[C@@H](C(=O)Nc1ccc(F)cc1)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000064847898 569107339 /nfs/dbraw/zinc/10/73/39/569107339.db2.gz RLVYBTXXQMLLQP-CQSZACIVSA-N 0 0 403.885 4.998 50 0 HJAARN O=C(Cc1ccc(F)cc1)N1CCC2(CC1)Nc1ccc(Cl)cc1-n1cccc12 ZINC000064848303 569107614 /nfs/dbraw/zinc/10/76/14/569107614.db2.gz CUMHCRBGGPBGPP-UHFFFAOYSA-N 0 0 409.892 4.756 50 0 biogenic HJAARN Cc1cccc(OCC(=O)N2CCC3(CC2)Nc2ccc(Cl)cc2-n2cccc23)c1 ZINC000064858481 569108976 /nfs/dbraw/zinc/10/89/76/569108976.db2.gz PPAXSCQRWBVDLD-UHFFFAOYSA-N 0 0 421.928 4.761 50 0 biogenic HJAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)Cc3ccc(F)cc3)CC1)N2 ZINC000064858571 569109223 /nfs/dbraw/zinc/10/92/23/569109223.db2.gz ISMDGMCBEIIZMV-UHFFFAOYSA-N 0 0 403.501 4.719 50 0 biogenic HJAARN Cc1c(NC(=O)NCCC2=CCCCC2)sc2nc3n(c(=O)c12)CC[C@H](C)CC3 ZINC000006750177 569109227 /nfs/dbraw/zinc/10/92/27/569109227.db2.gz YVDWUDICYLQIBN-CQSZACIVSA-N 0 0 414.575 4.751 50 0 HJAARN Cc1c(NC(=O)Nc2cc(C)cc(C)c2)sc2nc3n(c(=O)c12)CC[C@@H](C)CC3 ZINC000006750163 569109232 /nfs/dbraw/zinc/10/92/32/569109232.db2.gz KFCCJYFMCXHTSD-LBPRGKRZSA-N 0 0 410.543 5.000 50 0 HJAARN COC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccc(F)cc2)cc1 ZINC000006751051 569110031 /nfs/dbraw/zinc/11/00/31/569110031.db2.gz URCCRYDIJWXTNL-UHFFFAOYSA-N 0 0 407.470 4.698 50 0 HJAARN Cc1c(C(=O)NCCc2ccccc2)oc2ccc3c(c12)[C@@H](O)CC1(CCCC1)O3 ZINC000006751322 569110091 /nfs/dbraw/zinc/11/00/91/569110091.db2.gz BGDUBNGCNRVDCZ-SFHVURJKSA-N 0 0 405.494 4.842 50 0 biogenic HJAARN Cc1ccc(CSc2nc3ccncc3n2CC(=O)N(C)C2CCCCC2)cc1 ZINC000006752218 569110227 /nfs/dbraw/zinc/11/02/27/569110227.db2.gz VQGFULRUNGKFKY-UHFFFAOYSA-N 0 0 408.571 4.823 50 0 HJAARN CCNC(=O)N(Cc1ccccc1Cl)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000006753651 569110745 /nfs/dbraw/zinc/11/07/45/569110745.db2.gz DCNFPZVCXDOVME-KRWDZBQOSA-N 0 0 406.313 4.718 50 0 HJAARN CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000006752958 569111663 /nfs/dbraw/zinc/11/16/63/569111663.db2.gz RPLSWJKJFVQUEJ-HSZRJFAPSA-N 0 0 421.497 4.535 50 0 HJAARN CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(OCC)c(OC)c1 ZINC000006752975 569111694 /nfs/dbraw/zinc/11/16/94/569111694.db2.gz QPALGGNPPFNDBH-HSZRJFAPSA-N 0 0 421.497 4.535 50 0 HJAARN COC(=O)CC1=CC(SCC(=O)Nc2cccc(C)c2)=Nc2cc(C)c(C)cc2N1 ZINC000064869942 569112397 /nfs/dbraw/zinc/11/23/97/569112397.db2.gz YTVFMMDXAXPQJH-UHFFFAOYSA-N 0 0 423.538 4.886 50 0 HJAARN O=C(Cn1c(=O)oc2ccc(Cl)cc21)NCCC(c1ccccc1)c1ccccc1 ZINC000006760251 569113416 /nfs/dbraw/zinc/11/34/16/569113416.db2.gz XAXRUWSXPACARX-UHFFFAOYSA-N 0 0 420.896 4.586 50 0 HJAARN CSc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccccc2)c1 ZINC000064871851 569113649 /nfs/dbraw/zinc/11/36/49/569113649.db2.gz BNSQYDBQWBIPTA-UHFFFAOYSA-N 0 0 418.565 4.547 50 0 HJAARN CC(C)c1ccc(CNC(=O)C2CCN(c3cc(-c4ccccc4)ncn3)CC2)cc1 ZINC000064872603 569113723 /nfs/dbraw/zinc/11/37/23/569113723.db2.gz KIRJVVWXXVXXMJ-UHFFFAOYSA-N 0 0 414.553 4.800 50 0 HJAARN Cc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)cc1C ZINC000064872026 569113749 /nfs/dbraw/zinc/11/37/49/569113749.db2.gz HVIOTZYBQULPNT-UHFFFAOYSA-N 0 0 418.515 4.581 50 0 HJAARN CC(C)CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(OS(=O)(=O)C(C)C)cc1 ZINC000006766558 569114809 /nfs/dbraw/zinc/11/48/09/569114809.db2.gz DDWKPEXDWCCRNM-UHFFFAOYSA-N 0 0 421.534 4.518 50 0 HJAARN Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4c(C)cccc4C)ccc32)cc1 ZINC000006767050 569115021 /nfs/dbraw/zinc/11/50/21/569115021.db2.gz GDRIQQZPFABTPH-UHFFFAOYSA-N 0 0 420.534 4.616 50 0 HJAARN COc1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000036246447 569116663 /nfs/dbraw/zinc/11/66/63/569116663.db2.gz IENUMLNCVVPCRH-UHFFFAOYSA-N 0 0 417.914 4.753 50 0 HJAARN COc1ccc(OC)c([C@H](C)N(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000036246790 569116729 /nfs/dbraw/zinc/11/67/29/569116729.db2.gz PUTMIVOSCLSBNI-INIZCTEOSA-N 0 0 415.486 4.799 50 0 HJAARN COc1ccc(S(=O)(=O)N(c2ccc(C)cc2)[C@H](C)c2cccc(OC)c2)cc1 ZINC000036247805 569117132 /nfs/dbraw/zinc/11/71/32/569117132.db2.gz DWAXPCOIYMJKHL-GOSISDBHSA-N 0 0 411.523 4.969 50 0 HJAARN Cc1ccccc1[S@](=O)Cc1ccc(C(=O)NCCc2ccc(Cl)cc2)o1 ZINC000006772163 569117490 /nfs/dbraw/zinc/11/74/90/569117490.db2.gz DSEDOGQBRJZBPY-MHZLTWQESA-N 0 0 401.915 4.522 50 0 HJAARN CCc1nc2cc(Cl)ccc2c(N(CCC(=O)NC(C)C)CCc2ccccc2)n1 ZINC000006774789 569118430 /nfs/dbraw/zinc/11/84/30/569118430.db2.gz BMRBLTUJXGGRNJ-UHFFFAOYSA-N 0 0 424.976 4.809 50 0 HJAARN COc1nc(-c2ccc(F)cc2)n(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)n1 ZINC000006775506 569118932 /nfs/dbraw/zinc/11/89/32/569118932.db2.gz TYPJBZIOFYKADI-UHFFFAOYSA-N 0 0 402.429 4.643 50 0 HJAARN COc1ccc(CC(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)cc1OC ZINC000006781391 569120404 /nfs/dbraw/zinc/12/04/04/569120404.db2.gz XGGCHXPXOOZOKY-UHFFFAOYSA-N 0 0 419.506 4.865 50 0 HJAARN Cc1cccc(N(C)S(=O)(=O)c2ccc(-c3nnc(C4CCCC4)o3)s2)c1 ZINC000064920738 569121231 /nfs/dbraw/zinc/12/12/31/569121231.db2.gz DYJGHWXYYWIAJW-UHFFFAOYSA-N 0 0 403.529 4.589 50 0 HJAARN CCc1ccc(NC(=O)[C@@H]2CCCN(c3ccnc(-c4ccc(F)cc4)n3)C2)cc1 ZINC000064928897 569123253 /nfs/dbraw/zinc/12/32/53/569123253.db2.gz YRKIVMLTHXNUCB-LJQANCHMSA-N 0 0 404.489 4.700 50 0 HJAARN CCc1ccc(NC(=O)[C@H]2CCCN(c3ccnc(-c4ccc(F)cc4)n3)C2)cc1 ZINC000064928898 569123285 /nfs/dbraw/zinc/12/32/85/569123285.db2.gz YRKIVMLTHXNUCB-IBGZPJMESA-N 0 0 404.489 4.700 50 0 HJAARN Cc1cc(NC(=O)CSc2nnc(-c3ccccc3F)n2C2CCCCC2)no1 ZINC000006790840 569124636 /nfs/dbraw/zinc/12/46/36/569124636.db2.gz MOTVSYFMAVMXNH-UHFFFAOYSA-N 0 0 415.494 4.617 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)CN1c2cccnc2Sc2ccccc2C1=O ZINC000006797015 569125204 /nfs/dbraw/zinc/12/52/04/569125204.db2.gz GPOWYWWEIWTYBU-UHFFFAOYSA-N 0 0 409.898 4.794 50 0 HJAARN COc1cccc(C[NH2+]Cc2c3ccccc3n(Cc3cccc(F)c3)c2C(=O)[O-])c1 ZINC000006794187 569125449 /nfs/dbraw/zinc/12/54/49/569125449.db2.gz AZYZJLRXVLQQNF-UHFFFAOYSA-N 0 0 418.468 4.825 50 0 HJAARN CC[C@H](C(=O)Nc1ccc(C)cc1Cl)n1c2ccccc2c2nc(=O)cc(C)n21 ZINC000006795204 569125718 /nfs/dbraw/zinc/12/57/18/569125718.db2.gz ACVIJEBOQZQPHJ-GOSISDBHSA-N 0 0 408.889 4.509 50 0 HJAARN CC[C@@H](C(=O)Nc1ccc(C)cc1Cl)n1c2ccccc2c2nc(=O)cc(C)n21 ZINC000006795190 569125741 /nfs/dbraw/zinc/12/57/41/569125741.db2.gz ACVIJEBOQZQPHJ-SFHVURJKSA-N 0 0 408.889 4.509 50 0 HJAARN CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CN1CCN(c2ccccc2)CC1 ZINC000169681412 569127459 /nfs/dbraw/zinc/12/74/59/569127459.db2.gz RQONEVZOUKMWKP-FQEVSTJZSA-N 0 0 421.585 4.526 50 0 HJAARN CC(C)COc1nc(-c2ccco2)n(-c2cccc(NC(=O)c3cccs3)c2)n1 ZINC000006801284 569129038 /nfs/dbraw/zinc/12/90/38/569129038.db2.gz PYMXTZFGIHRPRW-UHFFFAOYSA-N 0 0 408.483 4.876 50 0 HJAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(Cc1ccco1)C[C@H](C)O ZINC000036308364 569130429 /nfs/dbraw/zinc/13/04/29/569130429.db2.gz QIKPVXQBYVCMJD-IBGZPJMESA-N 0 0 417.509 4.949 50 0 HJAARN O=C([O-])c1c(C[NH2+]Cc2cccnc2)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000006803744 569130475 /nfs/dbraw/zinc/13/04/75/569130475.db2.gz SKAUXQAYSACHRS-UHFFFAOYSA-N 0 0 405.885 4.726 50 0 HJAARN COc1ccc(-c2noc(CSc3nnc(C)n3-c3ccc(C)c(C)c3)n2)cc1 ZINC000006804358 569131336 /nfs/dbraw/zinc/13/13/36/569131336.db2.gz DLGNAUSUHKYXJP-UHFFFAOYSA-N 0 0 407.499 4.543 50 0 HJAARN CCCCN(C(=O)c1cc2c(s1)-c1ccccc1OC2)C1CCN(C(C)=O)CC1 ZINC000006804840 569131546 /nfs/dbraw/zinc/13/15/46/569131546.db2.gz HZJVHZSFCZAOJD-UHFFFAOYSA-N 0 0 412.555 4.561 50 0 HJAARN CC(=O)c1ccc(NC(=O)Cc2c(C)nc3c(-c4ccccc4)c(C)nn3c2C)cc1 ZINC000006808925 569132982 /nfs/dbraw/zinc/13/29/82/569132982.db2.gz LUZRELSYOVSOSH-UHFFFAOYSA-N 0 0 412.493 4.705 50 0 HJAARN Cc1nn2c(nc(C)c(CC(=O)N[C@H](C)c3cccs3)c2C)c1-c1ccccc1 ZINC000006808929 569133101 /nfs/dbraw/zinc/13/31/01/569133101.db2.gz RVYDKAXPIYUHOA-OAHLLOKOSA-N 0 0 404.539 4.803 50 0 HJAARN CCOC(=O)Cc1c(C)nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn2c1C ZINC000006809405 569133538 /nfs/dbraw/zinc/13/35/38/569133538.db2.gz KMRSNILXPNHPRZ-UHFFFAOYSA-N 0 0 411.811 4.791 50 0 HJAARN CCCN(Cc1c(-c2cccc(C)c2)noc1N1CCOCC1)C(=O)CC(C)(C)C ZINC000036314295 569133954 /nfs/dbraw/zinc/13/39/54/569133954.db2.gz AFUNUUWMOMKJFT-UHFFFAOYSA-N 0 0 413.562 4.661 50 0 HJAARN CC(=O)N1N=C(c2ccc(Cl)cc2Cl)O[C@@H]1c1cccc(Br)c1 ZINC000064965588 569137464 /nfs/dbraw/zinc/13/74/64/569137464.db2.gz YDKMTRQMLJEBQD-MRXNPFEDSA-N 0 0 414.086 4.995 50 0 HJAARN CCc1ccc(CNC(=O)c2ccc3nc(Cc4ccc(OC)cc4)oc3c2)cc1 ZINC000064968463 569137948 /nfs/dbraw/zinc/13/79/48/569137948.db2.gz LTURIYLYBLGISK-UHFFFAOYSA-N 0 0 400.478 4.920 50 0 biogenic HJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1nc2ccccc2s1 ZINC000036330058 569139457 /nfs/dbraw/zinc/13/94/57/569139457.db2.gz UEUDEFOKXCFOEE-UHFFFAOYSA-N 0 0 401.850 4.982 50 0 HJAARN Cc1cccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@H](c3ccc(F)cc3)C2)c1 ZINC000036345249 569143206 /nfs/dbraw/zinc/14/32/06/569143206.db2.gz DJWZQBIAHSICNK-VWLOTQADSA-N 0 0 415.512 4.944 50 0 HJAARN C[C@@H](NC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCCCO2 ZINC000064986938 569145193 /nfs/dbraw/zinc/14/51/93/569145193.db2.gz XWGAWNYRSJHOBB-GOSISDBHSA-N 0 0 403.478 4.918 50 0 HJAARN O=C(NCCc1ccccc1)c1ccc(-c2cc(NC3CCCCC3)ncn2)cc1 ZINC000064989512 569145978 /nfs/dbraw/zinc/14/59/78/569145978.db2.gz TUQGNNNRRPFOPL-UHFFFAOYSA-N 0 0 400.526 4.861 50 0 HJAARN CCOc1ccccc1C(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@H](C)C2 ZINC000064989890 569146182 /nfs/dbraw/zinc/14/61/82/569146182.db2.gz KLZRGDVMGSWXFR-GOSISDBHSA-N 0 0 414.505 4.607 50 0 HJAARN Cc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)cc1F ZINC000064990434 569146468 /nfs/dbraw/zinc/14/64/68/569146468.db2.gz URZAPJXNGZNWSI-UHFFFAOYSA-N 0 0 403.457 4.659 50 0 HJAARN CCc1cccc2c([C@@H](CC(=O)N3CCCC3)c3ccc(OC)c(OC)c3)c[nH]c21 ZINC000006837911 569149510 /nfs/dbraw/zinc/14/95/10/569149510.db2.gz LBSDJFBGCPRTBD-FQEVSTJZSA-N 0 0 406.526 4.892 50 0 HJAARN O=C(C[C@@H](c1c[nH]c2ccccc21)c1ccc2c(c1)OCO2)NCc1ccc(F)cc1 ZINC000006839058 569150162 /nfs/dbraw/zinc/15/01/62/569150162.db2.gz JHKHMSGGTROZIR-HXUWFJFHSA-N 0 0 416.452 4.874 50 0 HJAARN Cc1nc(-c2nnn(-c3ccc(C)c(C)c3)c2C)sc1C(=O)N1CCCCCC1 ZINC000064998574 569150272 /nfs/dbraw/zinc/15/02/72/569150272.db2.gz RYIDHNJHQOMEDN-UHFFFAOYSA-N 0 0 409.559 4.641 50 0 HJAARN Cc1nc(-c2nnn(-c3ccc(C)c(C)c3)c2C)sc1C(=O)NC1CCC(C)CC1 ZINC000064998592 569150318 /nfs/dbraw/zinc/15/03/18/569150318.db2.gz ZGDMBZVBSCIJCI-UHFFFAOYSA-N 0 0 423.586 4.933 50 0 HJAARN COc1cc([C@@H]2CC(=O)Nc3c2ncn3-c2ccc(F)c(Cl)c2)cc(OC)c1O ZINC000036359867 569151761 /nfs/dbraw/zinc/15/17/61/569151761.db2.gz HBMNPORJVIAARC-LBPRGKRZSA-N 0 0 417.824 4.511 50 0 HJAARN CCn1nc(C)c(-c2nn3c(Cc4c(Cl)cccc4Cl)nnc3s2)c1C ZINC000036365256 569152153 /nfs/dbraw/zinc/15/21/53/569152153.db2.gz XBALLQSWUFDKHG-UHFFFAOYSA-N 0 0 407.330 4.584 50 0 HJAARN C[C@@H](CNS(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)s1)c1ccccc1 ZINC000065004442 569152483 /nfs/dbraw/zinc/15/24/83/569152483.db2.gz NEMDMWUBJQLMPD-AWEZNQCLSA-N 0 0 402.541 4.753 50 0 HJAARN Cc1ccc(-c2nc3cc(C(=O)N4CCC(CC(=O)NC(C)C)CC4)ccc3o2)cc1 ZINC000065006198 569152646 /nfs/dbraw/zinc/15/26/46/569152646.db2.gz DUBHDDWEXIBLEE-UHFFFAOYSA-N 0 0 419.525 4.570 50 0 HJAARN CCOc1ccccc1NC(=O)[C@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1 ZINC000065023459 569154891 /nfs/dbraw/zinc/15/48/91/569154891.db2.gz BPMHUKPBUSGQOS-SFHVURJKSA-N 0 0 420.488 4.537 50 0 HJAARN Cc1ccc(-c2cnc(N3CCC[C@H](C(=O)NCc4ccc(Cl)cc4)C3)nc2)cc1 ZINC000065023389 569154896 /nfs/dbraw/zinc/15/48/96/569154896.db2.gz ZXWKIPSKNDEXOF-FQEVSTJZSA-N 0 0 420.944 4.638 50 0 HJAARN Cc1cccc(-c2cnc(N3CCC(C(=O)NCc4ccccc4Cl)CC3)nc2)c1 ZINC000065023830 569155147 /nfs/dbraw/zinc/15/51/47/569155147.db2.gz SLSRUNVMOIYDHK-UHFFFAOYSA-N 0 0 420.944 4.638 50 0 HJAARN CCC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4ccccc4OC)cc3)ccc21 ZINC000065026857 569155800 /nfs/dbraw/zinc/15/58/00/569155800.db2.gz WOGAHQSHBIOCCJ-UHFFFAOYSA-N 0 0 414.505 4.591 50 0 HJAARN CCC(=O)N1CCc2cc(-c3ccc(C(=O)N[C@H](C)Cc4ccco4)cc3)ccc21 ZINC000065026877 569155832 /nfs/dbraw/zinc/15/58/32/569155832.db2.gz ONWHLKWSDHLYBY-QGZVFWFLSA-N 0 0 402.494 4.607 50 0 HJAARN O=C(NCc1ccc(Cl)cc1)c1nc2c3ccccc3oc2c(N2CCCCC2)n1 ZINC000065024999 569156100 /nfs/dbraw/zinc/15/61/00/569156100.db2.gz MMKFUYINVYTNIC-UHFFFAOYSA-N 0 0 420.900 4.950 50 0 HJAARN O=C(NCc1ccc(Cl)cc1)c1ccc(-c2cnc(N3CCCCC3)nc2)cc1 ZINC000065025529 569156343 /nfs/dbraw/zinc/15/63/43/569156343.db2.gz RJGLJBYMMIGRHU-UHFFFAOYSA-N 0 0 406.917 4.717 50 0 HJAARN O=C(NCc1ccc(F)cc1)c1ccc(-c2cnc(NCc3ccccc3)nc2)cc1 ZINC000065025633 569156394 /nfs/dbraw/zinc/15/63/94/569156394.db2.gz DBUZIOUMGCMCNG-UHFFFAOYSA-N 0 0 412.468 4.825 50 0 HJAARN Cc1ccc(C(=O)NCc2nc(-c3ccc(-c4csc(C5CC5)n4)cc3)no2)cc1 ZINC000065032381 569157655 /nfs/dbraw/zinc/15/76/55/569157655.db2.gz FALBPBRJZVBGGN-UHFFFAOYSA-N 0 0 416.506 4.976 50 0 HJAARN Cc1nc(-c2ccc(-c3noc([C@@H](NC(=O)c4ccco4)C(C)C)n3)cc2)cs1 ZINC000065032261 569157663 /nfs/dbraw/zinc/15/76/63/569157663.db2.gz AYTTXOOFIGLAPV-SFHVURJKSA-N 0 0 408.483 4.889 50 0 HJAARN Cc1cccc(NC(=O)CSc2cn(CC(=O)N3CCCCC3)c3ccccc23)c1 ZINC000006867276 569159875 /nfs/dbraw/zinc/15/98/75/569159875.db2.gz WUZMXCJVQSRKCT-UHFFFAOYSA-N 0 0 421.566 4.693 50 0 HJAARN CSc1ccc(-c2noc(-c3nnn4c3CO[C@H](c3ccc(C)cc3C)C4)n2)cc1 ZINC000169758514 569161643 /nfs/dbraw/zinc/16/16/43/569161643.db2.gz XEQHAWSUQRYQIU-IBGZPJMESA-N 0 0 419.510 4.605 50 0 HJAARN Cc1ccc([C@H]2Cn3nnc(-c4nc(-c5ccccc5Cl)no4)c3CO2)c(C)c1 ZINC000169758516 569161646 /nfs/dbraw/zinc/16/16/46/569161646.db2.gz CCLWVSFZYMUTDE-GOSISDBHSA-N 0 0 407.861 4.537 50 0 HJAARN COc1cccc(CN(C[C@H]2CC(c3ccc(F)cc3)=NO2)C(=O)C2CCCC2)c1 ZINC000006872084 569162122 /nfs/dbraw/zinc/16/21/22/569162122.db2.gz AUEWEXYQTQUOBP-JOCHJYFZSA-N 0 0 410.489 4.546 50 0 HJAARN CCNC(=O)N(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000006873030 569162325 /nfs/dbraw/zinc/16/23/25/569162325.db2.gz RKWKAUSLDRCHTM-SFHVURJKSA-N 0 0 406.313 4.718 50 0 HJAARN CCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC(c2ccccc2C)=NO1 ZINC000006873114 569162360 /nfs/dbraw/zinc/16/23/60/569162360.db2.gz BLABHQGHIYHQRF-SFHVURJKSA-N 0 0 404.432 4.946 50 0 HJAARN COc1cccc(Oc2ncc(-c3ccc(C(=O)NCc4ccccc4)cc3)cn2)c1 ZINC000065057796 569163408 /nfs/dbraw/zinc/16/34/08/569163408.db2.gz YWMQSYXZKYQIKO-UHFFFAOYSA-N 0 0 411.461 4.875 50 0 biogenic HJAARN Cc1ccc(NC(=O)N2CCC[C@@](C)(C(=O)NCc3ccccc3C)C2)c(Cl)c1 ZINC000065058683 569163657 /nfs/dbraw/zinc/16/36/57/569163657.db2.gz DUVXCDUJLXGQML-HSZRJFAPSA-N 0 0 413.949 4.907 50 0 HJAARN Cc1ccc(CNC(=O)[C@]2(C)CCCN(C(=O)c3ccccc3C(F)(F)F)C2)cc1 ZINC000065058468 569163661 /nfs/dbraw/zinc/16/36/61/569163661.db2.gz DGRZWKCBRWSHAR-JOCHJYFZSA-N 0 0 418.459 4.573 50 0 HJAARN Cc1ccc(NC(=O)N2CCC[C@](C)(C(=O)NCc3ccc(F)cc3)C2)c(Cl)c1 ZINC000065058929 569163807 /nfs/dbraw/zinc/16/38/07/569163807.db2.gz ZGQVTWAQPCXBQL-QFIPXVFZSA-N 0 0 417.912 4.738 50 0 HJAARN CC[C@H]1CCCCN1C(=O)Cn1c(SCc2ccc(C)cc2)nc2cccnc21 ZINC000006877804 569164723 /nfs/dbraw/zinc/16/47/23/569164723.db2.gz NFQBIBPBJJKMNN-IBGZPJMESA-N 0 0 408.571 4.823 50 0 HJAARN Cc1cccc(C)c1NC(=O)CN1c2cc(Cl)ccc2Oc2ncccc2C1=O ZINC000006878104 569164942 /nfs/dbraw/zinc/16/49/42/569164942.db2.gz UYLPCGGZYGRVCD-UHFFFAOYSA-N 0 0 407.857 4.743 50 0 HJAARN Cc1cccc(NC(=O)CN2c3cc(Cl)ccc3Oc3ncccc3C2=O)c1C ZINC000006878103 569164954 /nfs/dbraw/zinc/16/49/54/569164954.db2.gz DYRYLJUYRJEEOV-UHFFFAOYSA-N 0 0 407.857 4.743 50 0 HJAARN Cc1cccc2c(C)cc(SCC(=O)c3cc4c5c(c3)CCCN5C(=O)C4)nc12 ZINC000006880183 569165276 /nfs/dbraw/zinc/16/52/76/569165276.db2.gz UAEASHRGHCSHPF-UHFFFAOYSA-N 0 0 402.519 4.662 50 0 HJAARN CCc1ccccc1NC(=O)CN1C(=O)C(c2ccccc2)=NC12CCCCCC2 ZINC000169765623 569166186 /nfs/dbraw/zinc/16/61/86/569166186.db2.gz NIFQJDLJSSFBBK-UHFFFAOYSA-N 0 0 403.526 4.570 50 0 HJAARN O=C(c1cc(C2CC2)nc2onc(-c3ccccc3)c21)N1CCN(c2ccccc2)CC1 ZINC000036395216 569168632 /nfs/dbraw/zinc/16/86/32/569168632.db2.gz FFLACENMPTYYGF-UHFFFAOYSA-N 0 0 424.504 4.730 50 0 HJAARN C[C@H]1CCc2sc(C(=O)Nc3ccc(-n4cncn4)cc3C(F)(F)F)cc2C1 ZINC000036394518 569168892 /nfs/dbraw/zinc/16/88/92/569168892.db2.gz UNAXUUOLGYIJRM-NSHDSACASA-N 0 0 406.433 4.725 50 0 HJAARN Cc1ccc(CNC(=O)[C@@]2(C)Cc3ccccc3C(=O)N2c2cc(C)cc(C)c2)cc1 ZINC000065074897 569169350 /nfs/dbraw/zinc/16/93/50/569169350.db2.gz ARABKXNTPLUECG-HHHXNRCGSA-N 0 0 412.533 4.890 50 0 HJAARN Cc1ccc(N2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000065075079 569169395 /nfs/dbraw/zinc/16/93/95/569169395.db2.gz NTIHNDXHQNCOEV-RUZDIDTESA-N 0 0 418.924 4.926 50 0 HJAARN C[C@@]1(C(=O)NCc2ccc(Cl)cc2)Cc2ccccc2C(=O)N1c1ccc(F)cc1 ZINC000065075121 569169434 /nfs/dbraw/zinc/16/94/34/569169434.db2.gz IAGNWAKPKMBTPC-DEOSSOPVSA-N 0 0 422.887 4.757 50 0 HJAARN C[C@]1(C(=O)NCc2ccccc2)Cc2ccccc2C(=O)N1Cc1cccc(Cl)c1 ZINC000065075252 569169531 /nfs/dbraw/zinc/16/95/31/569169531.db2.gz DZCQZEZLAGYYAW-RUZDIDTESA-N 0 0 418.924 4.614 50 0 HJAARN COc1cc(NC(=O)Cc2csc3nc(-c4ccc(C)cc4)cn23)cc(OC)c1 ZINC000065079221 569170961 /nfs/dbraw/zinc/17/09/61/569170961.db2.gz AVPHMFAWWSWNLT-UHFFFAOYSA-N 0 0 407.495 4.570 50 0 HJAARN Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)cc3Cl)s2)cc1 ZINC000065085386 569173711 /nfs/dbraw/zinc/17/37/11/569173711.db2.gz DCSWQMINUQMIQY-UHFFFAOYSA-N 0 0 409.891 4.934 50 0 HJAARN CCOc1ccccc1CNC(=O)c1ccc(C[S@](=O)c2ccccc2Cl)o1 ZINC000006895495 569175329 /nfs/dbraw/zinc/17/53/29/569175329.db2.gz HDVOMFFSYQNKAW-MUUNZHRXSA-N 0 0 417.914 4.570 50 0 HJAARN CCc1nnc(SCC(=O)N(CC)c2ccccc2)c2cc3sc(C)cc3n21 ZINC000006893921 569175461 /nfs/dbraw/zinc/17/54/61/569175461.db2.gz FKMJEBUGXMTCNW-UHFFFAOYSA-N 0 0 410.568 4.960 50 0 HJAARN NC(=O)c1sc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)c2c1N ZINC000006898492 569176349 /nfs/dbraw/zinc/17/63/49/569176349.db2.gz NHANOXSCBAJTJC-UHFFFAOYSA-N 0 0 406.216 4.970 50 0 HJAARN Cc1nc(-c2cccc(-c3noc([C@@H](NC(=O)c4ccco4)C(C)C)n3)c2)cs1 ZINC000065098151 569177021 /nfs/dbraw/zinc/17/70/21/569177021.db2.gz WVUOWEYEMZHDBL-SFHVURJKSA-N 0 0 408.483 4.889 50 0 HJAARN CCc1nc(-c2cccc(-c3noc([C@H]4CC(=O)N(c5ccccc5)C4)n3)c2)cs1 ZINC000065098207 569177056 /nfs/dbraw/zinc/17/70/56/569177056.db2.gz OTCGBOLCBBIIKX-KRWDZBQOSA-N 0 0 416.506 4.943 50 0 HJAARN Cc1cccc(Sc2nccnc2N2CCC(C(=O)NC3CCCCC3)CC2)c1 ZINC000065102721 569178610 /nfs/dbraw/zinc/17/86/10/569178610.db2.gz BNCPJUYFWSCGJX-UHFFFAOYSA-N 0 0 410.587 4.602 50 0 HJAARN CCCCOc1ccc(CNC(=O)CSc2nccnc2Oc2ccccc2)cc1 ZINC000065111120 569178818 /nfs/dbraw/zinc/17/88/18/569178818.db2.gz JAYYYUBUEQAAPE-UHFFFAOYSA-N 0 0 423.538 4.856 50 0 HJAARN Cc1cc(C)c2nc(SCC(=O)Nc3ccccc3C(=O)NC3CC3)cc(C)c2c1 ZINC000006912245 569179021 /nfs/dbraw/zinc/17/90/21/569179021.db2.gz BQCTXKJWRPIABL-UHFFFAOYSA-N 0 0 419.550 4.783 50 0 HJAARN CCN1c2cc(C(=O)Nc3ccc(C(C)=O)cc3)ccc2Oc2ccccc2C1=O ZINC000065115686 569179609 /nfs/dbraw/zinc/17/96/09/569179609.db2.gz OCXXJIGSGYHQJR-UHFFFAOYSA-N 0 0 400.434 4.914 50 0 HJAARN COc1ccc(CCNC(=O)c2ccc(-n3ccc4ccccc43)s2)cc1OC ZINC000006913909 569179778 /nfs/dbraw/zinc/17/97/78/569179778.db2.gz QIKVPKOYDVHUBT-UHFFFAOYSA-N 0 0 406.507 4.682 50 0 HJAARN CCCNc1c2ccccc2oc(=O)c1NC(=O)c1ccccc1Br ZINC000006917519 569181258 /nfs/dbraw/zinc/18/12/58/569181258.db2.gz UCDSIUPBXXOGRY-UHFFFAOYSA-N 0 0 401.260 4.630 50 0 HJAARN C[C@H]1C[C@H](C)CN(c2cc(SCC(=O)Nc3cccc(C(F)(F)F)c3)ncn2)C1 ZINC000065133345 569183030 /nfs/dbraw/zinc/18/30/30/569183030.db2.gz ZOVCFSVLZQZLFN-KBPBESRZSA-N 0 0 424.492 4.709 50 0 HJAARN O=C(CC[C@@H]1CCCN(C(=O)Nc2cccc(F)c2)C1)NCc1ccccc1Cl ZINC000065136730 569183530 /nfs/dbraw/zinc/18/35/30/569183530.db2.gz FKMRMBPAWABBHX-INIZCTEOSA-N 0 0 417.912 4.820 50 0 HJAARN Cc1ccc(Cl)c(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)c1Cl ZINC000006930300 569183967 /nfs/dbraw/zinc/18/39/67/569183967.db2.gz VLDHZHSXLXFHSM-UHFFFAOYSA-N 0 0 405.281 4.898 50 0 HJAARN O=C(NC1CC1)[C@@H](Sc1nc2c(n1-c1ccccc1)CCCC2)c1ccccc1 ZINC000006931895 569184469 /nfs/dbraw/zinc/18/44/69/569184469.db2.gz WUYHHXHKBSVRIV-QFIPXVFZSA-N 0 0 403.551 4.863 50 0 HJAARN COc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)cc1Cl ZINC000006939883 569185585 /nfs/dbraw/zinc/18/55/85/569185585.db2.gz SCUVNVSXKSRRBN-UHFFFAOYSA-N 0 0 410.836 4.716 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)CSc1nccc(N2CCc3ccccc3C2)n1 ZINC000065151467 569186434 /nfs/dbraw/zinc/18/64/34/569186434.db2.gz STWWAXTVMQDRKV-UHFFFAOYSA-N 0 0 424.957 4.732 50 0 HJAARN COc1cc(N)c(Cl)cc1C(=O)OCc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000006941961 569186710 /nfs/dbraw/zinc/18/67/10/569186710.db2.gz BVLOTXHNLHDSOF-UHFFFAOYSA-N 0 0 415.873 4.826 50 0 HJAARN CCOC(=O)c1cc(C)n(CC2CCC(C(=O)NCCc3ccc(C)cc3)CC2)c1C ZINC000006942033 569186724 /nfs/dbraw/zinc/18/67/24/569186724.db2.gz AWURFSUANUBDNL-UHFFFAOYSA-N 0 0 424.585 4.755 50 0 HJAARN CC(=O)c1cccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2-c2ccncc2)c1 ZINC000065154005 569187759 /nfs/dbraw/zinc/18/77/59/569187759.db2.gz UERFFUDVDAXCJZ-UHFFFAOYSA-N 0 0 412.424 4.800 50 0 HJAARN O=C(Nc1cccc(Cl)c1F)c1csc(-c2ccc(N3CCCC3)nc2)n1 ZINC000065165248 569189512 /nfs/dbraw/zinc/18/95/12/569189512.db2.gz FWOSQSLBUNYJHF-UHFFFAOYSA-N 0 0 402.882 4.850 50 0 HJAARN COc1ccc(NC(=O)c2csc(-c3ccc(N4CCCC4)nc3)n2)cc1Cl ZINC000065165199 569189532 /nfs/dbraw/zinc/18/95/32/569189532.db2.gz DXWXTCQHSBMSCN-UHFFFAOYSA-N 0 0 414.918 4.720 50 0 HJAARN Cc1ccccc1C(=O)N1CCC[C@H](COc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000065178577 569191772 /nfs/dbraw/zinc/19/17/72/569191772.db2.gz ARJSFHLBCFGEEW-NRFANRHFSA-N 0 0 420.553 4.552 50 0 HJAARN CCOc1ccccc1OCC(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12 ZINC000006970951 569192085 /nfs/dbraw/zinc/19/20/85/569192085.db2.gz QFQRCKBEWKGNAF-UHFFFAOYSA-N 0 0 401.466 4.726 50 0 HJAARN COc1ccc([C@@H](NC(=O)CSc2nc3ccccc3n2C)c2ccccc2)cc1 ZINC000006972453 569192326 /nfs/dbraw/zinc/19/23/26/569192326.db2.gz OJOUPKPAUHQHIQ-QHCPKHFHSA-N 0 0 417.534 4.580 50 0 HJAARN COc1ccc(NC(=O)Cn2c(C)cc(-c3nnc(-c4ccccc4)o3)c2C)cc1F ZINC000065194904 569192353 /nfs/dbraw/zinc/19/23/53/569192353.db2.gz LZVDHKZQXZMBMN-UHFFFAOYSA-N 0 0 420.444 4.608 50 0 HJAARN O=C(Nc1ccc(F)cc1)C1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 ZINC000008599836 569192600 /nfs/dbraw/zinc/19/26/00/569192600.db2.gz CKZRZMMXWSQNDC-UHFFFAOYSA-N 0 0 418.394 4.643 50 0 HJAARN O=C(NCc1ccc(-c2nc(-c3cccs3)no2)s1)c1cccnc1Cl ZINC000065196007 569194484 /nfs/dbraw/zinc/19/44/84/569194484.db2.gz NHEXPEWYFYNUTB-UHFFFAOYSA-N 0 0 402.888 4.505 50 0 HJAARN CCCC[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1cc(C)on1 ZINC000065203156 569195298 /nfs/dbraw/zinc/19/52/98/569195298.db2.gz DCTBBJYDQYRSAM-FQEVSTJZSA-N 0 0 406.482 4.856 50 0 HJAARN O=c1nc(CNc2ccc3c(c2)OCO3)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000007001989 569198918 /nfs/dbraw/zinc/19/89/18/569198918.db2.gz QNXWKNKMCGXZRS-UHFFFAOYSA-N 0 0 411.870 4.646 50 0 HJAARN CCn1cc2nc(SCc3ccc(C)cc3)n(Cc3ccc(C)cc3)c(=O)c2n1 ZINC000007006366 569199385 /nfs/dbraw/zinc/19/93/85/569199385.db2.gz HQHRHIVOGIPHHM-UHFFFAOYSA-N 0 0 404.539 4.570 50 0 HJAARN Cc1ccc(NC(=O)Cn2cnc(-c3noc(-c4ccccc4C)n3)c2)cc1Cl ZINC000065250393 569206109 /nfs/dbraw/zinc/20/61/09/569206109.db2.gz AEOLRKPMZUJIQR-UHFFFAOYSA-N 0 0 407.861 4.509 50 0 HJAARN CC(C)(C)c1noc(-c2cccnc2-n2cnc(C(=O)Nc3ccc(Cl)cc3)c2)n1 ZINC000065250814 569206454 /nfs/dbraw/zinc/20/64/54/569206454.db2.gz WTFGYGYWCYGKRJ-UHFFFAOYSA-N 0 0 422.876 4.521 50 0 HJAARN CCOc1ccccc1NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccc(F)cc1 ZINC000036615879 569207144 /nfs/dbraw/zinc/20/71/44/569207144.db2.gz YIXWVMZKJFEBGP-UHFFFAOYSA-N 0 0 404.445 4.827 50 0 HJAARN Cc1nn(Cc2ccccc2)c2nc(C)cc(C(=O)N[C@H]3CCCc4ccccc43)c12 ZINC000036616602 569207750 /nfs/dbraw/zinc/20/77/50/569207750.db2.gz AUFLCIODVHMQRL-QHCPKHFHSA-N 0 0 410.521 4.904 50 0 HJAARN Cc1nn(C(C)C)c2nc(C)cc(C(=O)Nc3cccc(Cn4cc(Cl)cn4)c3)c12 ZINC000036612503 569209093 /nfs/dbraw/zinc/20/90/93/569209093.db2.gz XAENCOJASZJTJR-UHFFFAOYSA-N 0 0 422.920 4.780 50 0 HJAARN COc1ccc(-c2cc(C(=O)N3CCCc4cc(C)ccc43)c3cnn(C)c3n2)cc1 ZINC000036613540 569209324 /nfs/dbraw/zinc/20/93/24/569209324.db2.gz LUQZFDXAALEKCA-UHFFFAOYSA-N 0 0 412.493 4.545 50 0 HJAARN COc1ccc(-c2noc(C3(NC(=O)c4ccc(C)c(C)c4)CCCCC3)n2)cc1 ZINC000065257871 569209739 /nfs/dbraw/zinc/20/97/39/569209739.db2.gz RQFWAWJOZJLZIS-UHFFFAOYSA-N 0 0 405.498 4.951 50 0 HJAARN COc1cccc(-c2noc3nc(C)cc(C(=O)N[C@H](C)CCc4ccco4)c32)c1 ZINC000036619518 569210705 /nfs/dbraw/zinc/21/07/05/569210705.db2.gz INNCXVUXJRTRQX-CQSZACIVSA-N 0 0 405.454 4.551 50 0 HJAARN COc1ccc(-c2nnc(SCc3nc(-c4cccs4)no3)n2C(C)C)cc1 ZINC000007043797 569210930 /nfs/dbraw/zinc/21/09/30/569210930.db2.gz CRKHJVISUBHZJG-UHFFFAOYSA-N 0 0 413.528 4.938 50 0 HJAARN COc1cc(CCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc(OC)c1 ZINC000007056165 569214490 /nfs/dbraw/zinc/21/44/90/569214490.db2.gz HIIQZRXLSPKNOK-UHFFFAOYSA-N 0 0 407.495 4.651 50 0 HJAARN C[C@H](NC(=O)CSc1nc2ccccc2c(Nc2ccccc2)n1)c1ccco1 ZINC000007095392 569219597 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O=C(Nc1ccc(Oc2ccccc2Cl)cc1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000036837497 569230128 /nfs/dbraw/zinc/23/01/28/569230128.db2.gz ZZSVRUKSOYPZKI-XJKSGUPXSA-N 0 0 412.795 4.528 50 0 HJAARN COc1ccc(C(C)=O)cc1CSc1nnc(N2CCCC2)n1-c1ccc(C)cc1 ZINC000007256638 569230525 /nfs/dbraw/zinc/23/05/25/569230525.db2.gz PHKOTSQBWIGGBH-UHFFFAOYSA-N 0 0 422.554 4.679 50 0 HJAARN COc1cc(C2SCCS2)ccc1OC(=O)Cc1c(C)nn(C(F)F)c1C ZINC000065488611 569231881 /nfs/dbraw/zinc/23/18/81/569231881.db2.gz IWZQOGAMEDWLSD-UHFFFAOYSA-N 0 0 414.499 4.530 50 0 HJAARN Cc1cc2oc(=O)cc(Cn3cnc4scc(-c5ccccc5)c4c3=O)c2cc1C ZINC000007313435 569232857 /nfs/dbraw/zinc/23/28/57/569232857.db2.gz NHMCFQJVTBHLOV-UHFFFAOYSA-N 0 0 414.486 4.897 50 0 HJAARN CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000065513754 569233092 /nfs/dbraw/zinc/23/30/92/569233092.db2.gz PXKHHYUSMXRXIF-UHFFFAOYSA-N 0 0 408.523 4.635 50 0 HJAARN O=C(Nc1ccc(OC(F)F)cc1)c1ccccc1OCc1cn2ccccc2n1 ZINC000007318979 569233415 /nfs/dbraw/zinc/23/34/15/569233415.db2.gz GUXSCVUGATUQJQ-UHFFFAOYSA-N 0 0 409.392 4.767 50 0 HJAARN Cc1nc(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)n(C2CCCCC2)c1C ZINC000065554599 569235556 /nfs/dbraw/zinc/23/55/56/569235556.db2.gz JGXJTFVJSNSZPM-UHFFFAOYSA-N 0 0 400.466 4.998 50 0 HJAARN O=C(CSc1ncnc2sccc21)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000007392528 569236348 /nfs/dbraw/zinc/23/63/48/569236348.db2.gz FPJBNADZJGNRDA-UHFFFAOYSA-N 0 0 405.504 4.919 50 0 HJAARN C[C@@H]1CN(c2ccc(NC(=O)NCCSCc3cccs3)cc2F)C[C@H](C)O1 ZINC000065588852 569236560 /nfs/dbraw/zinc/23/65/60/569236560.db2.gz ODYNZNIACAWDDL-GASCZTMLSA-N 0 0 423.579 4.556 50 0 HJAARN Cc1c(=O)c2cccc(C(=O)Nc3nnc(C4CC4)s3)c2oc1-c1ccccc1 ZINC000007407445 569236966 /nfs/dbraw/zinc/23/69/66/569236966.db2.gz RXXHYEOHNMVQDN-UHFFFAOYSA-N 0 0 403.463 4.750 50 0 HJAARN CC(C)n1c(=O)c2ccccc2nc1SCc1nc(-c2ccc(Cl)cc2)no1 ZINC000007436914 569238865 /nfs/dbraw/zinc/23/88/65/569238865.db2.gz ZLUGYCLUWSLJAG-UHFFFAOYSA-N 0 0 412.902 4.973 50 0 HJAARN C[C@H]1c2[nH]c3ccccc3c2[C@@H](c2ccccc2Cl)CN1CN1CCOC1=S ZINC000037198785 569240103 /nfs/dbraw/zinc/24/01/03/569240103.db2.gz CRCPGUJCIPLCNA-WMLDXEAASA-N 0 0 411.958 4.904 50 0 HJAARN Cc1cc(C(=O)OCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c2ccccc2n1 ZINC000007480075 569240476 /nfs/dbraw/zinc/24/04/76/569240476.db2.gz WZYGODIJUNYJHS-UHFFFAOYSA-N 0 0 417.292 4.665 50 0 HJAARN O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)N1CCN(c2ccc(O)cc2)CC1 ZINC000037228425 569240833 /nfs/dbraw/zinc/24/08/33/569240833.db2.gz DLGXXWZIACVXJP-VWLOTQADSA-N 0 0 411.505 4.620 50 0 HJAARN COc1ccc(CNc2ccc(Br)c(F)c2)c(Br)c1O ZINC000170595392 569241410 /nfs/dbraw/zinc/24/14/10/569241410.db2.gz JMPHYPHOUJJLQB-UHFFFAOYSA-N 0 0 405.061 4.677 50 0 HJAARN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccnc1OCC(F)(F)F ZINC000170597665 569241945 /nfs/dbraw/zinc/24/19/45/569241945.db2.gz HDWBWRZSHGHOAY-UHFFFAOYSA-N 0 0 408.376 4.707 50 0 HJAARN CC(C(=O)Nc1ccc(-n2ncc3ccccc32)cc1)=C1CN(C(=O)OC(C)(C)C)C1 ZINC000170600733 569243033 /nfs/dbraw/zinc/24/30/33/569243033.db2.gz MKWBWEFPGBLJHC-UHFFFAOYSA-N 0 0 418.497 4.531 50 0 HJAARN O=C1CCCN1CC[C@H]1CN(Cc2ccc(Cl)nc2C(F)(F)F)c2ccccc21 ZINC000170605228 569244598 /nfs/dbraw/zinc/24/45/98/569244598.db2.gz MCIOKFBCAPMRHZ-AWEZNQCLSA-N 0 0 423.866 4.870 50 0 HJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)Cc2ccc3c(c2)CCC3)cc1 ZINC000007525746 569245930 /nfs/dbraw/zinc/24/59/30/569245930.db2.gz RLAIZVANUQLCDU-UHFFFAOYSA-N 0 0 400.478 4.617 50 0 HJAARN CCOc1nc(-c2cccc(OC)c2)n(-c2cccc(NC(=O)c3cccs3)c2)n1 ZINC000037285163 569246420 /nfs/dbraw/zinc/24/64/20/569246420.db2.gz LBKWOIVRXBHGAH-UHFFFAOYSA-N 0 0 420.494 4.655 50 0 HJAARN Cc1ccc(S(=O)(=O)Nc2c(=O)[nH]c3cc(C)ccc3c2-c2ccccc2)cc1 ZINC000170619425 569248331 /nfs/dbraw/zinc/24/83/31/569248331.db2.gz QYRSSZDMFSZKJR-UHFFFAOYSA-N 0 0 404.491 4.613 50 0 HJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)O[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000170625409 569250075 /nfs/dbraw/zinc/25/00/75/569250075.db2.gz CSPYWYYLEDDBQA-RNODOKPDSA-N 0 0 409.873 4.785 50 0 HJAARN CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc(C(F)(F)F)nc3ccccc32)c1 ZINC000009883334 569251390 /nfs/dbraw/zinc/25/13/90/569251390.db2.gz GKXJPYMLLIRTFT-LBPRGKRZSA-N 0 0 419.428 4.971 50 0 HJAARN O=C(Nc1ccc2c(c1)OCCCO2)c1c2c(sc1-n1cccc1)CSCC2 ZINC000009996218 569252790 /nfs/dbraw/zinc/25/27/90/569252790.db2.gz ZVTDDYVQIMCKJM-UHFFFAOYSA-N 0 0 412.536 4.742 50 0 HJAARN O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1ccccc1Oc1ccccc1 ZINC000010218977 569253750 /nfs/dbraw/zinc/25/37/50/569253750.db2.gz SZCPATKSSYMOCM-UHFFFAOYSA-N 0 0 413.470 4.811 50 0 HJAARN Cc1csc(N2CCCN(Cc3nnc(-c4ccc(Cl)cc4Cl)o3)CC2)n1 ZINC000071824893 569254503 /nfs/dbraw/zinc/25/45/03/569254503.db2.gz MIRMXXMOOGZRFS-UHFFFAOYSA-N 0 0 424.357 4.521 50 0 HJAARN CSc1cccc(NC(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000013320202 569254800 /nfs/dbraw/zinc/25/48/00/569254800.db2.gz FIFQYQXXSHZZOY-UHFFFAOYSA-N 0 0 409.477 4.777 50 0 HJAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCN(c2ccccc2F)CC1 ZINC000013320551 569254907 /nfs/dbraw/zinc/25/49/07/569254907.db2.gz AJQKKUONRNYMIP-UHFFFAOYSA-N 0 0 401.791 4.852 50 0 HJAARN O=C(Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1)NCc1cccs1 ZINC000013716609 569257550 /nfs/dbraw/zinc/25/75/50/569257550.db2.gz MYUKMRPOJWCBTK-UHFFFAOYSA-N 0 0 418.440 4.878 50 0 HJAARN Cc1oc2cc(OS(=O)(=O)c3cccs3)ccc2c(=O)c1Oc1ccccc1 ZINC000014100885 569258584 /nfs/dbraw/zinc/25/85/84/569258584.db2.gz CDRZCTAWACQTMK-UHFFFAOYSA-N 0 0 414.460 4.723 50 0 HJAARN CCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1C ZINC000014427968 569259978 /nfs/dbraw/zinc/25/99/78/569259978.db2.gz JJNLIVRSLABZSK-SFHVURJKSA-N 0 0 414.571 4.681 50 0 HJAARN Cc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)c2)c(C)c1 ZINC000014426542 569259989 /nfs/dbraw/zinc/25/99/89/569259989.db2.gz SNGCBYIIWKANDS-CALCHBBNSA-N 0 0 414.571 4.531 50 0 HJAARN CCNC(=O)c1cccc(NC(=O)CSC(c2ccccc2)c2ccccc2)c1 ZINC000014572923 569260345 /nfs/dbraw/zinc/26/03/45/569260345.db2.gz DUWWUYZOMQLDFN-UHFFFAOYSA-N 0 0 404.535 4.898 50 0 HJAARN COc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2Cl)n1 ZINC000014609569 569260650 /nfs/dbraw/zinc/26/06/50/569260650.db2.gz VPOWEGFKGPYKMK-UHFFFAOYSA-N 0 0 404.857 4.849 50 0 HJAARN COc1ccc(-c2nc(C(=O)N3CCCCCC3)nn2-c2ccc(Cl)cc2)cc1 ZINC000014609892 569260722 /nfs/dbraw/zinc/26/07/22/569260722.db2.gz NHKGVVISYJDXBG-UHFFFAOYSA-N 0 0 410.905 4.613 50 0 HJAARN CCOc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC000014609738 569260730 /nfs/dbraw/zinc/26/07/30/569260730.db2.gz LYSXYWMNOTWXGG-UHFFFAOYSA-N 0 0 402.429 4.724 50 0 HJAARN CCOc1ccccc1NC(=O)c1nc(-c2ccc(OC)cc2)n(-c2ccccc2)n1 ZINC000014609837 569260739 /nfs/dbraw/zinc/26/07/39/569260739.db2.gz LBKNXKXEVOLFJP-UHFFFAOYSA-N 0 0 414.465 4.594 50 0 HJAARN CN(Cc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OC(C)(C)C ZINC000089661720 569262092 /nfs/dbraw/zinc/26/20/92/569262092.db2.gz YYNFVDCTFGNMAR-UHFFFAOYSA-N 0 0 410.923 4.508 50 0 HJAARN Cc1cccc([C@@H]2CC(c3ccco3)=NN2S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000089669377 569262206 /nfs/dbraw/zinc/26/22/06/569262206.db2.gz SOLNBPPFQLZWNW-IBGZPJMESA-N 0 0 400.887 4.781 50 0 HJAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3cccc(C)c3C)cc2)cc1C ZINC000089686408 569262462 /nfs/dbraw/zinc/26/24/62/569262462.db2.gz CKYYANKIGNRRQU-UHFFFAOYSA-N 0 0 423.534 4.965 50 0 HJAARN Cc1nc(-c2cccc(C(=O)N3CCC[C@@H]3Cn3cnc4ccccc43)c2)cs1 ZINC000089712620 569263011 /nfs/dbraw/zinc/26/30/11/569263011.db2.gz ZOKSRNDXNNEQBG-LJQANCHMSA-N 0 0 402.523 4.773 50 0 HJAARN CC(C)(CO)[C@H](CNC(=O)c1cccc(OCc2cccs2)c1)c1ccccc1 ZINC000089761824 569263547 /nfs/dbraw/zinc/26/35/47/569263547.db2.gz YPUFJQANYWIEFN-JOCHJYFZSA-N 0 0 409.551 4.859 50 0 HJAARN COCCCNC(=O)c1sc2c(cnc3ccc(OC)cc23)c1-c1ccccc1 ZINC000016846863 569265120 /nfs/dbraw/zinc/26/51/20/569265120.db2.gz HVPMMRVQVKDUFR-UHFFFAOYSA-N 0 0 406.507 4.891 50 0 HJAARN CC1CCN(C(=O)CCc2csc(NC(=O)Nc3cccc(Cl)c3)n2)CC1 ZINC000016849183 569265558 /nfs/dbraw/zinc/26/55/58/569265558.db2.gz UDKGZHFIISQKJR-UHFFFAOYSA-N 0 0 406.939 4.632 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)Cc2csc(Nc3cccc(Cl)c3)n2)cc1 ZINC000016850368 569265906 /nfs/dbraw/zinc/26/59/06/569265906.db2.gz LJKUMEVPSKPVJQ-UHFFFAOYSA-N 0 0 400.891 4.680 50 0 HJAARN O=C(NC1CC1)c1cccc(NC(=O)c2ccccc2OCc2ccc(F)cc2)c1 ZINC000016966107 569268851 /nfs/dbraw/zinc/26/88/51/569268851.db2.gz MXOPEWKXQAYOGP-UHFFFAOYSA-N 0 0 404.441 4.549 50 0 HJAARN C[C@@H]1CN(c2ccc(NC(=O)N3C[C@H]4CCCC[C@@]43c3ccccc3)cc2)CCO1 ZINC000089941162 569269235 /nfs/dbraw/zinc/26/92/35/569269235.db2.gz HSZRIVXKASPRDP-DZRGJMJISA-N 0 0 405.542 4.845 50 0 HJAARN COc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(OC)cc2)cc1 ZINC000014706038 569269625 /nfs/dbraw/zinc/26/96/25/569269625.db2.gz VRDAYLLXKGTPHA-UHFFFAOYSA-N 0 0 418.518 4.754 50 0 HJAARN COc1ccc(-c2cn3c(C)c(C(=O)Nc4cc(OC)ccc4OC)sc3n2)cc1 ZINC000016992501 569270607 /nfs/dbraw/zinc/27/06/07/569270607.db2.gz IIQRXNUAHCEJCY-UHFFFAOYSA-N 0 0 423.494 4.649 50 0 HJAARN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000017011429 569271312 /nfs/dbraw/zinc/27/13/12/569271312.db2.gz XZFSPCPLHFJLQT-UHFFFAOYSA-N 0 0 424.497 4.528 50 0 HJAARN Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)CCC3CCCCC3)cc2)n1 ZINC000017013053 569271543 /nfs/dbraw/zinc/27/15/43/569271543.db2.gz PBCZXMSKTMHBAV-UHFFFAOYSA-N 0 0 423.561 4.664 50 0 HJAARN Cc1cc(N(C)C)nc(Nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)n1 ZINC000017013542 569271745 /nfs/dbraw/zinc/27/17/45/569271745.db2.gz KBJKRNWYPKNRRT-UHFFFAOYSA-N 0 0 415.419 4.866 50 0 HJAARN Cc1c(S(=O)(=O)c2ccc(C(C)(C)C)cc2)nnn1-c1cccc(C(F)(F)F)c1 ZINC000017043409 569272245 /nfs/dbraw/zinc/27/22/45/569272245.db2.gz CVELKJBJWRRGKG-UHFFFAOYSA-N 0 0 423.460 4.725 50 0 HJAARN Cc1ccc(CS(=O)(=O)c2cn(CC(=O)Nc3ccccc3)c3ccccc23)cc1 ZINC000017041745 569272262 /nfs/dbraw/zinc/27/22/62/569272262.db2.gz OOCANOGDFMQUJE-UHFFFAOYSA-N 0 0 418.518 4.562 50 0 HJAARN Cc1oc(-c2ccc(C)cc2)nc1Cn1ccn2nc(-c3ccc(C)cc3)cc2c1=O ZINC000017051449 569272487 /nfs/dbraw/zinc/27/24/87/569272487.db2.gz RGSIDMJITBJCRL-UHFFFAOYSA-N 0 0 410.477 4.792 50 0 HJAARN Cc1cccc(OCC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)c1 ZINC000017135473 569275213 /nfs/dbraw/zinc/27/52/13/569275213.db2.gz NDHSJYMHTRFUCR-UHFFFAOYSA-N 0 0 400.478 4.606 50 0 HJAARN O[C@@H](COc1ccc(Br)cc1)CN(Cc1ccccc1)c1ccccc1 ZINC000000938383 569277009 /nfs/dbraw/zinc/27/70/09/569277009.db2.gz DJULZTYWJOHOSU-OAQYLSRUSA-N 0 0 412.327 4.896 50 0 HJAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)Nc1ccc(F)cc1F ZINC000002091711 569280426 /nfs/dbraw/zinc/28/04/26/569280426.db2.gz OXOBUTJLUBWGMQ-UHFFFAOYSA-N 0 0 407.372 4.756 50 0 biogenic HJAARN CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)CC1 ZINC000007387939 569280580 /nfs/dbraw/zinc/28/05/80/569280580.db2.gz CHDSMRIFTAKPES-UHFFFAOYSA-N 0 0 415.537 4.787 50 0 HJAARN COC(=O)Cc1c(C)c2ccc(OCc3ccc4ccccc4c3)c(C)c2oc1=O ZINC000002094058 569280756 /nfs/dbraw/zinc/28/07/56/569280756.db2.gz IHUSVEKHRDFTDG-UHFFFAOYSA-N 0 0 402.446 4.858 50 0 biogenic HJAARN COc1ccc(CNC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc1 ZINC000002094498 569280855 /nfs/dbraw/zinc/28/08/55/569280855.db2.gz LGHBYYNKIPTFDM-UHFFFAOYSA-N 0 0 419.477 4.722 50 0 biogenic HJAARN CCc1cc(=O)oc2c(C)c(OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc12 ZINC000002095168 569280880 /nfs/dbraw/zinc/28/08/80/569280880.db2.gz SDZIIVJWOUDBDD-KRWDZBQOSA-N 0 0 417.502 4.509 50 0 biogenic HJAARN COc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@H](c1ccc(C)cc1)N1NC=NC1=N2 ZINC000000638023 569281668 /nfs/dbraw/zinc/28/16/68/569281668.db2.gz KIYDXTJXEMXNJU-DQEYMECFSA-N 0 0 422.488 4.808 50 0 HJAARN CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccccn1 ZINC000002234023 569282626 /nfs/dbraw/zinc/28/26/26/569282626.db2.gz WXMJZRABTHXQPM-UHFFFAOYSA-N 0 0 415.522 4.758 50 0 HJAARN CCn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1cccs1 ZINC000002372331 569282751 /nfs/dbraw/zinc/28/27/51/569282751.db2.gz FHXJHPONFFDBJR-UHFFFAOYSA-N 0 0 423.361 4.520 50 0 HJAARN CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nc2sc(C)c(C)c2c1=O ZINC000002383331 569282773 /nfs/dbraw/zinc/28/27/73/569282773.db2.gz MHNSFTOJVLNDDE-UHFFFAOYSA-N 0 0 421.975 4.787 50 0 HJAARN Cc1cccc(-c2nc(NCCc3cccs3)nc3nn(C(C)(C)C)c(N)c32)c1 ZINC000037361321 569283608 /nfs/dbraw/zinc/28/36/08/569283608.db2.gz WLFXKEYUSYVYGP-UHFFFAOYSA-N 0 0 406.559 4.855 50 0 HJAARN CSc1cccc2sc(N(C[C@H]3CCCO3)C(=O)c3cccc(F)c3)nc21 ZINC000007599733 569288227 /nfs/dbraw/zinc/28/82/27/569288227.db2.gz GEYFSWNXDRRMOE-OAHLLOKOSA-N 0 0 402.516 4.983 50 0 HJAARN CCOC(=O)CCc1c(C)c2ccc(OCc3ccc(Cl)cc3)cc2oc1=O ZINC000002147630 569289774 /nfs/dbraw/zinc/28/97/74/569289774.db2.gz PGZNSVBWEATYDU-UHFFFAOYSA-N 0 0 400.858 4.830 50 0 biogenic HJAARN Cc1c(OC(=O)CCNC(=O)OC(C)(C)C)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000002149005 569289852 /nfs/dbraw/zinc/28/98/52/569289852.db2.gz CMSZHVWUDKOLOR-UHFFFAOYSA-N 0 0 423.465 4.589 50 0 biogenic HJAARN CCCCc1cc(=O)oc2c(C)c(OC(=O)CCCNC(=O)OC(C)(C)C)ccc12 ZINC000002150581 569290019 /nfs/dbraw/zinc/29/00/19/569290019.db2.gz CHTKZGXRHYYHNL-UHFFFAOYSA-N 0 0 417.502 4.654 50 0 biogenic HJAARN COc1ccc(OCCCn2c(=O)c3ccccc3nc2-c2ccc(OC)cc2)cc1 ZINC000002199664 569294787 /nfs/dbraw/zinc/29/47/87/569294787.db2.gz QKFLEAUBKAOQPD-UHFFFAOYSA-N 0 0 416.477 4.550 50 0 HJAARN O=C(NCCNc1nc(-c2ccccc2)nc2cc(Cl)ccc21)c1ccc(F)cc1 ZINC000037382915 569295147 /nfs/dbraw/zinc/29/51/47/569295147.db2.gz YMGZODNDGYNGHV-UHFFFAOYSA-N 0 0 420.875 4.931 50 0 HJAARN CC(=O)c1cccc(NC(=O)[C@@H](Sc2nnc(C)n2C2CC2)c2ccccc2)c1 ZINC000007617383 569296038 /nfs/dbraw/zinc/29/60/38/569296038.db2.gz QJGCLTAIHOULFB-FQEVSTJZSA-N 0 0 406.511 4.596 50 0 HJAARN Cc1nnc(S[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)n1C1CC1 ZINC000007617617 569296134 /nfs/dbraw/zinc/29/61/34/569296134.db2.gz RWIIFAKSHKEXPJ-OAHLLOKOSA-N 0 0 408.527 4.620 50 0 HJAARN O=C(Cn1c(Cc2ccc(Cl)c(Cl)c2)nc2ccccc21)NCc1ccco1 ZINC000037397583 569296749 /nfs/dbraw/zinc/29/67/49/569296749.db2.gz XAWOAKHDDJVDPB-UHFFFAOYSA-N 0 0 414.292 4.843 50 0 HJAARN CCCCn1nc(NC(=O)c2cccc(OC)c2)c2cc3cc(OC)ccc3nc21 ZINC000002209323 569297257 /nfs/dbraw/zinc/29/72/57/569297257.db2.gz ZACSSKYNOQBPRZ-UHFFFAOYSA-N 0 0 404.470 4.654 50 0 HJAARN O=C(c1c[nH]c2ncccc12)N1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000065810016 569297281 /nfs/dbraw/zinc/29/72/81/569297281.db2.gz WZAABNOBWOOLOS-UHFFFAOYSA-N 0 0 402.281 4.605 50 0 HJAARN COc1cccc(CN(C[C@H]2CC(c3ccc(F)cc3)=NO2)C(=O)c2cccs2)c1 ZINC000037440779 569299610 /nfs/dbraw/zinc/29/96/10/569299610.db2.gz LLGPEWBSIZZEPK-HXUWFJFHSA-N 0 0 424.497 4.731 50 0 HJAARN Cc1nnc(-c2cc(C3CC3)n(-c3cccc(C(=O)N[C@@H]4CCC[C@@H](C)[C@@H]4C)c3)n2)o1 ZINC000037452336 569299869 /nfs/dbraw/zinc/29/98/69/569299869.db2.gz BTTRVCKKCZAQKA-QEEYODRMSA-N 0 0 419.529 4.663 50 0 HJAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1c(F)cccc1Cl ZINC000007689160 569300916 /nfs/dbraw/zinc/30/09/16/569300916.db2.gz JGPOPMZSCBSTMR-UHFFFAOYSA-N 0 0 405.775 4.704 50 0 HJAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C1c2ccccc2Oc2ccccc21 ZINC000007706181 569301443 /nfs/dbraw/zinc/30/14/43/569301443.db2.gz SFDDUFMVWJSUEC-QGZVFWFLSA-N 0 0 410.477 4.725 50 0 HJAARN O=C(NC[C@@H]1CCCO1)c1cc2sccc2n1Cc1ccc(C(F)(F)F)cc1 ZINC000037525038 569303975 /nfs/dbraw/zinc/30/39/75/569303975.db2.gz ZBTRZWLJDPLDOJ-HNNXBMFYSA-N 0 0 408.445 4.679 50 0 HJAARN O=C(NCC1CC1)c1cc2scc(Br)c2n1Cc1ccc(F)cc1 ZINC000037543115 569305237 /nfs/dbraw/zinc/30/52/37/569305237.db2.gz GBGLBXHETFNCDP-UHFFFAOYSA-N 0 0 407.308 4.793 50 0 HJAARN COc1cccc(CN2CCCN(c3cccc(NC(=O)CC(C)(C)C)c3)C2=O)c1 ZINC000037544398 569305463 /nfs/dbraw/zinc/30/54/63/569305463.db2.gz QXTYRPOOTXIXAZ-UHFFFAOYSA-N 0 0 409.530 4.902 50 0 HJAARN COc1ccc(Oc2c(CCC(=O)NC(C)C)c(C)nn2-c2ccc(F)cc2)cc1 ZINC000037547264 569305821 /nfs/dbraw/zinc/30/58/21/569305821.db2.gz XDVZFQFCPRJZAZ-UHFFFAOYSA-N 0 0 411.477 4.578 50 0 HJAARN Cc1cc(C(=O)OCC(=O)N(Cc2ccco2)C23CC4CC(CC(C4)C2)C3)c(C)o1 ZINC000007745081 569306192 /nfs/dbraw/zinc/30/61/92/569306192.db2.gz KEYCRWRJYVYDHZ-UHFFFAOYSA-N 0 0 411.498 4.644 50 0 HJAARN Cc1cccc(CN(C(=O)C2CC2)c2ccc(CC(=O)NCc3ccccc3)cc2)c1 ZINC000037556250 569306339 /nfs/dbraw/zinc/30/63/39/569306339.db2.gz QOLKRXNLVLLYNH-UHFFFAOYSA-N 0 0 412.533 4.797 50 0 HJAARN CCNC(=O)Cc1ccc(N(Cc2cccc(C)c2)C(=O)/C=C/c2ccccc2)cc1 ZINC000037556257 569306404 /nfs/dbraw/zinc/30/64/04/569306404.db2.gz UHDYUCHINKWXSW-SAPNQHFASA-N 0 0 412.533 4.920 50 0 HJAARN CCC(=O)N(Cc1ccccc1)c1ccc(CC(=O)NCc2ccc(F)cc2)cc1 ZINC000037556695 569306523 /nfs/dbraw/zinc/30/65/23/569306523.db2.gz OTHCGZLYUSSOAP-UHFFFAOYSA-N 0 0 404.485 4.628 50 0 HJAARN Cc1cccc(Oc2ccc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)cc2)c1 ZINC000007757942 569307199 /nfs/dbraw/zinc/30/71/99/569307199.db2.gz DBGOLCMVCCXYHJ-UHFFFAOYSA-N 0 0 413.470 4.729 50 0 HJAARN Cc1sc2nc(C)nc(SCC(=O)c3ccc(N4CCCC4=O)cc3)c2c1C ZINC000007832859 569313937 /nfs/dbraw/zinc/31/39/37/569313937.db2.gz HXTKPHRNGGFTPB-UHFFFAOYSA-N 0 0 411.552 4.718 50 0 HJAARN Cc1cc(-c2nnc(CSc3nnc(Cc4cccs4)n3C3CC3)o2)c(C)o1 ZINC000007844539 569314275 /nfs/dbraw/zinc/31/42/75/569314275.db2.gz YYUIJCSHMOHXGR-UHFFFAOYSA-N 0 0 413.528 4.817 50 0 HJAARN CCOc1c(Br)cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OC ZINC000007886310 569315260 /nfs/dbraw/zinc/31/52/60/569315260.db2.gz ODIQBNODOCEJHH-LJQANCHMSA-N 0 0 417.303 4.585 50 0 HJAARN Cc1nn(C)c(C)c1/C=C1\C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@H]1O ZINC000253370502 569317628 /nfs/dbraw/zinc/31/76/28/569317628.db2.gz RPEZSVJLASPKQK-NYGLPISCSA-N 0 0 410.602 4.715 50 0 HJAARN COc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(OC)c(OC)c2)cc1 ZINC000002238373 569322554 /nfs/dbraw/zinc/32/25/54/569322554.db2.gz ZNMBESVHRCPNEO-UHFFFAOYSA-N 0 0 412.449 4.662 50 0 HJAARN O=C(NCc1ccc(Cl)cc1)c1cccc(-n2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000002973939 569322693 /nfs/dbraw/zinc/32/26/93/569322693.db2.gz FFEAWJRJEVSEBJ-UHFFFAOYSA-N 0 0 421.909 4.632 50 0 HJAARN Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1Cc1ccccc1Cl ZINC000002247699 569324353 /nfs/dbraw/zinc/32/43/53/569324353.db2.gz DBYMUYYZIDGOPG-UHFFFAOYSA-N 0 0 419.916 4.541 50 0 HJAARN O=C(Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)c1ccc(F)cc1 ZINC000002256281 569326328 /nfs/dbraw/zinc/32/63/28/569326328.db2.gz FBSNQTQSMFQURC-UHFFFAOYSA-N 0 0 409.424 4.850 50 0 HJAARN C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccc(Br)cc1 ZINC000007921978 569327145 /nfs/dbraw/zinc/32/71/45/569327145.db2.gz SZWBRZRYTIMVGQ-LBPRGKRZSA-N 0 0 404.333 4.690 50 0 HJAARN CCCCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1C)CCC3 ZINC000002273945 569327624 /nfs/dbraw/zinc/32/76/24/569327624.db2.gz WRQHKAFUZZGLOL-UHFFFAOYSA-N 0 0 410.568 4.784 50 0 HJAARN CC[C@@H]1CCCCN1C(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000001062589 569356756 /nfs/dbraw/zinc/35/67/56/569356756.db2.gz ANJIEHUTLWTBGC-NJAFHUGGSA-N 0 0 406.452 4.948 50 0 HJAARN O=C(C=Cc1ccccc1Cl)Nn1c(=O)c2ccccc2nc1-c1ccccc1F ZINC000027528425 569364224 /nfs/dbraw/zinc/36/42/24/569364224.db2.gz LLISYZMKSHGCCT-BUHFOSPRSA-N 0 0 419.843 4.640 50 0 HJAARN CCN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccc(C(F)(F)F)cc1 ZINC000253392114 569364976 /nfs/dbraw/zinc/36/49/76/569364976.db2.gz IRAYKYHTTMXIIH-MRXNPFEDSA-N 0 0 422.422 4.750 50 0 HJAARN CC[C@H](C)[C@@H](NC(=O)CC1(n2cccc2)CCSCC1)c1nc2ccccc2[nH]1 ZINC000253394292 569365098 /nfs/dbraw/zinc/36/50/98/569365098.db2.gz AMDHYBMSWXTRSE-LAUBAEHRSA-N 0 0 410.587 4.880 50 0 HJAARN Cc1cc(C)c(C(=O)N2CCC(n3nccc3NC(=O)Nc3ccccc3C)CC2)o1 ZINC000012111676 569365864 /nfs/dbraw/zinc/36/58/64/569365864.db2.gz IPWHWNCVNYMSFX-UHFFFAOYSA-N 0 0 421.501 4.523 50 0 HJAARN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2c(F)cc(C(F)(F)F)cc2F)C1 ZINC000253419561 569367826 /nfs/dbraw/zinc/36/78/26/569367826.db2.gz PLLVHUDTIZZOFO-VXGBXAGGSA-N 0 0 422.394 4.549 50 0 HJAARN CCOc1cc(CNc2ccc3[nH]cnc3c2)ccc1OCC(=O)Nc1ccccc1 ZINC000253430781 569368885 /nfs/dbraw/zinc/36/88/85/569368885.db2.gz SFEKISWUGXNJDY-UHFFFAOYSA-N 0 0 416.481 4.591 50 0 HJAARN Nc1c(C(=O)NCCc2ccccc2)c2nc3ccccc3nc2n1C1CCCCC1 ZINC000002297567 569369543 /nfs/dbraw/zinc/36/95/43/569369543.db2.gz OVZOBZRKZRNMBU-UHFFFAOYSA-N 0 0 413.525 4.644 50 0 HJAARN CCOc1cc(CN2CCC[C@H]2c2ccc(COC)o2)cc(Br)c1O ZINC000253432446 569369943 /nfs/dbraw/zinc/36/99/43/569369943.db2.gz ZPBLGDFDVPZJGI-INIZCTEOSA-N 0 0 410.308 4.630 50 0 HJAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccccc1F ZINC000027548010 569372082 /nfs/dbraw/zinc/37/20/82/569372082.db2.gz OGZFBAYOEWGQJB-UHFFFAOYSA-N 0 0 421.453 4.769 50 0 HJAARN Cc1cccc(-n2c(N)c(C(=O)N[C@@H](C)c3ccccc3)c3nc4ccccc4nc32)c1 ZINC000002347377 569379399 /nfs/dbraw/zinc/37/93/99/569379399.db2.gz CMLXPEMBXQYLSS-KRWDZBQOSA-N 0 0 421.504 4.955 50 0 HJAARN CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]4Cc5c(c(C)nn5C(C)=O)[C@]4(C)CC[C@@H]32)C1 ZINC000253487508 569381682 /nfs/dbraw/zinc/38/16/82/569381682.db2.gz LFSRWPRCKLPVBQ-MCGUJUQSSA-N 0 0 410.558 4.760 50 0 HJAARN Cc1ccc(N2C(=O)CS[C@]23c2cccc4c2N(C3=O)C(C)(C)C=C4C)cc1C ZINC000253495555 569381849 /nfs/dbraw/zinc/38/18/49/569381849.db2.gz JFPGAZDKSDBVPK-DEOSSOPVSA-N 0 0 404.535 4.778 50 0 HJAARN C[C@@H]1CC(C)(C)N(Cc2ccccc2)c2ccc(C(=S)N3CCN(C)CC3)cc21 ZINC000253495763 569381924 /nfs/dbraw/zinc/38/19/24/569381924.db2.gz QKAAFTHACJHSBG-LJQANCHMSA-N 0 0 407.627 4.902 50 0 HJAARN CCOC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]12C ZINC000253530775 569382595 /nfs/dbraw/zinc/38/25/95/569382595.db2.gz ZFVNCIMEWULGEX-CATLXSNKSA-N 0 0 420.634 4.956 50 0 biogenic HJAARN CCOc1cc(C(=O)N(C)C)ccc1NCc1ccc(OCC(C)C)c(OCC)c1 ZINC000253630042 569383350 /nfs/dbraw/zinc/38/33/50/569383350.db2.gz DEJZZMQKLHHXJT-UHFFFAOYSA-N 0 0 414.546 4.833 50 0 HJAARN COc1ccc(C(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(C)cc2)cc1 ZINC000002353101 569383437 /nfs/dbraw/zinc/38/34/37/569383437.db2.gz IJAVUHBZOKLGCK-UHFFFAOYSA-N 0 0 416.506 4.621 50 0 HJAARN COc1ccc(-c2c(=O)c(C)nn(-c3ccccc3)c2NC(=O)C2CCCCC2)cc1 ZINC000002360130 569385585 /nfs/dbraw/zinc/38/55/85/569385585.db2.gz CGHSAHVJHCNKPX-UHFFFAOYSA-N 0 0 417.509 4.735 50 0 HJAARN Cc1ccnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccccc2)c1 ZINC000002368038 569388203 /nfs/dbraw/zinc/38/82/03/569388203.db2.gz YCWFNJWDFHYSSW-HXUWFJFHSA-N 0 0 402.837 4.900 50 0 HJAARN COC(=O)Cc1c(C)c2cc(Cl)c(OCc3cc(C)cc(C)c3)cc2oc1=O ZINC000002372385 569389141 /nfs/dbraw/zinc/38/91/41/569389141.db2.gz ZJZHCAXIBSGVAB-UHFFFAOYSA-N 0 0 400.858 4.666 50 0 HJAARN CC(C)CCNC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc12 ZINC000002381147 569390700 /nfs/dbraw/zinc/39/07/00/569390700.db2.gz OXMYZZSHTLWPLY-UHFFFAOYSA-N 0 0 405.546 4.833 50 0 HJAARN CCC(CC)COC(=O)c1c(N)n(-c2cccc(F)c2)c2nc3ccccc3nc12 ZINC000002385225 569391848 /nfs/dbraw/zinc/39/18/48/569391848.db2.gz JJDCNNQHVCGPSP-UHFFFAOYSA-N 0 0 406.461 4.888 50 0 HJAARN COc1ccc(-n2c(N)c(C(=O)OCc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002385376 569391861 /nfs/dbraw/zinc/39/18/61/569391861.db2.gz RXANGABOHWCSDA-UHFFFAOYSA-N 0 0 424.460 4.522 50 0 HJAARN CCn1c(S[C@@H](C)c2nc(C(C)C)no2)nc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000027778199 569394234 /nfs/dbraw/zinc/39/42/34/569394234.db2.gz BFLALDSGQHYASC-NEPJUHHUSA-N 0 0 418.588 4.962 50 0 HJAARN COc1ccc([C@@H](O)[P@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1 ZINC000002398504 569394745 /nfs/dbraw/zinc/39/47/45/569394745.db2.gz QJBBTJIQQBXLJL-RBISFHTESA-N 0 0 403.459 4.705 50 0 HJAARN COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc1 ZINC000002399780 569394762 /nfs/dbraw/zinc/39/47/62/569394762.db2.gz PZNBFXGDZQULLK-HXUWFJFHSA-N 0 0 418.836 4.600 50 0 HJAARN O=C(Nc1ccc(Br)cn1)c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000002417108 569397514 /nfs/dbraw/zinc/39/75/14/569397514.db2.gz XDIXPWYCPYUQDM-UHFFFAOYSA-N 0 0 421.250 4.870 50 0 HJAARN COC(=O)CSc1nc(SC)nc2c1sc1nc(C(C)C)c3c(c12)CCC3 ZINC000002430966 569399184 /nfs/dbraw/zinc/39/91/84/569399184.db2.gz MKCKXKBVYIFGPL-UHFFFAOYSA-N 0 0 419.597 4.839 50 0 HJAARN CCCCCn1c(N)c(S(=O)(=O)c2ccc(C)c(C)c2)c2nc3ccccc3nc21 ZINC000002436235 569399639 /nfs/dbraw/zinc/39/96/39/569399639.db2.gz GTVLWBUWOGVDCV-UHFFFAOYSA-N 0 0 422.554 4.807 50 0 HJAARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000012823340 569403886 /nfs/dbraw/zinc/40/38/86/569403886.db2.gz IMFCYIHYJWBTST-UHFFFAOYSA-N 0 0 409.873 4.611 50 0 HJAARN COC(=O)c1occc1/C=C/c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 ZINC000013002569 569406381 /nfs/dbraw/zinc/40/63/81/569406381.db2.gz FVLDVUBDZZWFGS-IZZDOVSWSA-N 0 0 406.825 4.589 50 0 HJAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccccc3)C2)c2ccccc12 ZINC000013002118 569406413 /nfs/dbraw/zinc/40/64/13/569406413.db2.gz VBJOBLZBBIOIAD-ICSRJNTNSA-N 0 0 416.521 4.578 50 0 HJAARN C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2ccccc2)CC1 ZINC000013038659 569407752 /nfs/dbraw/zinc/40/77/52/569407752.db2.gz SIHZNBQLTNQMRU-AWEZNQCLSA-N 0 0 411.855 4.508 50 0 HJAARN O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1cc(Cl)cc(Cl)c1 ZINC000013061238 569408371 /nfs/dbraw/zinc/40/83/71/569408371.db2.gz LNGPBFIWJXJXNO-KRWDZBQOSA-N 0 0 407.297 4.540 50 0 HJAARN Cc1cccc(NC(=O)CN(C)c2nc(C)nc3sc4c(c32)CCCCC4)c1C ZINC000013070604 569408615 /nfs/dbraw/zinc/40/86/15/569408615.db2.gz CRTHVWQMQGTILX-UHFFFAOYSA-N 0 0 408.571 4.960 50 0 HJAARN O=c1cc(COc2ncnc3ccc(Br)cc32)c2cc3c(cc2o1)CCC3 ZINC000013149608 569410072 /nfs/dbraw/zinc/41/00/72/569410072.db2.gz JOBZJXQRRZZFSM-UHFFFAOYSA-N 0 0 423.266 4.566 50 0 HJAARN 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CCn1cc2nc(SCc3ccc(C)cc3)n(Cc3ccc(Cl)cc3)c(=O)c2n1 ZINC000020582059 523489146 /nfs/dbraw/zinc/48/91/46/523489146.db2.gz MXRXLQBADVKDDZ-UHFFFAOYSA-N 0 0 424.957 4.915 50 0 HJAARN COc1ccc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)c(OC)c1 ZINC000016284458 523744665 /nfs/dbraw/zinc/74/46/65/523744665.db2.gz APSNBJQLHLYRLL-UHFFFAOYSA-N 0 0 422.872 4.652 50 0 HJAARN COc1ccc(C(=O)c2sc(Nc3ccc(Cl)cc3C)nc2N)cc1OC ZINC000032947985 523780880 /nfs/dbraw/zinc/78/08/80/523780880.db2.gz ADHXKUUTDFCFMU-UHFFFAOYSA-N 0 0 403.891 4.679 50 0 HJAARN COc1ccc(C)cc1Nc1nc(N)c(C(=O)c2ccc(Br)cc2)s1 ZINC000032947896 523845877 /nfs/dbraw/zinc/84/58/77/523845877.db2.gz NPAXGXALAPFAIA-UHFFFAOYSA-N 0 0 418.316 4.779 50 0 HJAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccccc3OC)[C@H]2c2ccc(F)cc2)cc1 ZINC000045928205 523871612 /nfs/dbraw/zinc/87/16/12/523871612.db2.gz RVVKXRZXNMXJKT-QHCPKHFHSA-N 0 0 419.452 4.896 50 0 HJAARN COc1ccc(CC(=O)Nc2ccccc2SCC(F)(F)F)c(OC)c1OC ZINC000032900582 523911338 /nfs/dbraw/zinc/91/13/38/523911338.db2.gz NHMSZEFGRNWXKC-UHFFFAOYSA-N 0 0 415.433 4.548 50 0 HJAARN COc1ccc(CCn2c(=O)c3ccccc3nc2-c2cccc(C)c2)cc1OC ZINC000044928711 523984474 /nfs/dbraw/zinc/98/44/74/523984474.db2.gz TYEQDJKWXHCOOL-UHFFFAOYSA-N 0 0 400.478 4.632 50 0 HJAARN COc1ccc(CN(Cn2nc(-c3cccs3)c3ccccc3c2=O)C2CC2)cc1 ZINC000032923141 524016115 /nfs/dbraw/zinc/01/61/15/524016115.db2.gz HCADUENRCCIUKI-UHFFFAOYSA-N 0 0 417.534 4.756 50 0 HJAARN CN1C[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000020567606 524026169 /nfs/dbraw/zinc/02/61/69/524026169.db2.gz ASQFCOLZFPITDH-OPJGWUQDSA-N 0 0 416.908 4.716 50 0 HJAARN CCc1cccc(C)c1NC(=O)[C@H](CC)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944726 524065492 /nfs/dbraw/zinc/06/54/92/524065492.db2.gz NOWFKVGLNDZPBJ-INIZCTEOSA-N 0 0 417.431 4.876 50 0 HJAARN Cc1ccc(C)c(NC(=O)Cn2c3ccccc3nc2C(=O)c2cccc(F)c2)c1 ZINC000032959172 524138501 /nfs/dbraw/zinc/13/85/01/524138501.db2.gz GBTYOSBOLWNEBO-UHFFFAOYSA-N 0 0 401.441 4.662 50 0 HJAARN Cc1cccc(Cn2c3ccsc3c(=O)n(-c3cccc(C(F)(F)F)c3)c2=O)c1 ZINC000020139013 524492092 /nfs/dbraw/zinc/49/20/92/524492092.db2.gz ILCPGMZMKZAQLF-UHFFFAOYSA-N 0 0 416.424 4.589 50 0 HJAARN Cc1ccc(CNC(=O)c2[nH]c3ccc(C)cc3c2NC(=O)c2cccc(C)c2)o1 ZINC000044168589 524554416 /nfs/dbraw/zinc/55/44/16/524554416.db2.gz ZCLXAYIVMONCSK-UHFFFAOYSA-N 0 0 401.466 4.868 50 0 HJAARN COc1ccccc1OCC(=O)Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000032623622 524664769 /nfs/dbraw/zinc/66/47/69/524664769.db2.gz OUXKESUPKMRDTH-UHFFFAOYSA-N 0 0 419.412 4.569 50 0 HJAARN COc1ccc(OC)c([C@H](C)NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)c1 ZINC000032713000 524902986 /nfs/dbraw/zinc/90/29/86/524902986.db2.gz ZXEFNCBAIWOTNQ-HNNXBMFYSA-N 0 0 422.456 4.586 50 0 HJAARN COc1ccc(S(=O)(=O)N(c2cccc(OC)c2)[C@H](C)c2ccccc2C)cc1 ZINC000036245997 525016316 /nfs/dbraw/zinc/01/63/16/525016316.db2.gz NRHWOBKDZCAVLV-GOSISDBHSA-N 0 0 411.523 4.969 50 0 HJAARN Cc1cc(N2CCn3c4ccccc4nc3C2)ccc1NC(=O)CCc1ccccc1 ZINC000019855341 525097439 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0 HJAARN CCCCCn1c2ccccc2n(C[C@H](O)COc2ccc(Cl)cc2Cl)c1=N ZINC000020292130 558354248 /nfs/dbraw/zinc/35/42/48/558354248.db2.gz OKHXCSNDBMDGFZ-INIZCTEOSA-N 0 0 422.356 4.859 50 0 HJAARN CCOC(=O)C1(Cc2ccccc2Cl)CCN(Cc2cc(C(C)C)n[nH]2)CC1 ZINC000012300825 558370556 /nfs/dbraw/zinc/37/05/56/558370556.db2.gz JRWGYZHAVIKYCC-UHFFFAOYSA-N 0 0 403.954 4.575 50 0 HJAARN Cc1ccc(OCc2cc(C(=O)N[C@H](Cc3ccccc3)c3ccccc3)no2)cn1 ZINC000012314605 558377999 /nfs/dbraw/zinc/37/79/99/558377999.db2.gz XJCRTINUEDLZCQ-HSZRJFAPSA-N 0 0 413.477 4.671 50 0 HJAARN Cn1c(SCC(=O)Nc2cccc3c2CCCC3)nnc1-c1cc2ccccc2o1 ZINC000010681767 558385884 /nfs/dbraw/zinc/38/58/84/558385884.db2.gz KPGUJCFNUWZOAW-UHFFFAOYSA-N 0 0 418.522 4.838 50 0 HJAARN Cc1cc(I)ccc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000012352998 558386902 /nfs/dbraw/zinc/38/69/02/558386902.db2.gz QRCYOUGMBFMYSA-UHFFFAOYSA-N 0 0 423.294 4.915 50 0 HJAARN COCCCn1c2nc(-c3ccc(C)c(C)c3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020605582 558387692 /nfs/dbraw/zinc/38/76/92/558387692.db2.gz DPZPVZWHTFZHQI-UHFFFAOYSA-N 0 0 405.470 4.712 50 0 HJAARN Cc1c(C)n(Cc2ccc(Cl)cc2)c(N)c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000012372569 558390042 /nfs/dbraw/zinc/39/00/42/558390042.db2.gz VRZKZBFFBOKTOY-UHFFFAOYSA-N 0 0 409.338 4.875 50 0 HJAARN O=C1C[C@@H](c2cccs2)c2scc(S(=O)(=O)c3ccc(Cl)cc3)c2N1 ZINC000012374970 558391626 /nfs/dbraw/zinc/39/16/26/558391626.db2.gz ISTOQGYIRGDLEN-LBPRGKRZSA-N 0 0 409.941 4.770 50 0 HJAARN COC(=O)Cn1nc(C)c2c1nc(-c1ccc(Cl)c(Cl)c1)cc2C(F)F ZINC000020615108 558392247 /nfs/dbraw/zinc/39/22/47/558392247.db2.gz VUNAWCQEGLXAAO-UHFFFAOYSA-N 0 0 400.212 4.824 50 0 HJAARN Cc1nn(Cc2cccc(Cl)c2)c2nc(-c3ccn(C)n3)cc(C(F)(F)F)c12 ZINC000020615608 558392512 /nfs/dbraw/zinc/39/25/12/558392512.db2.gz YBDCEFCQEYCPKO-UHFFFAOYSA-N 0 0 405.811 4.861 50 0 HJAARN COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c3c(nn21)nc(C)cc3C ZINC000020615717 558392721 /nfs/dbraw/zinc/39/27/21/558392721.db2.gz AQMQWLVZZBMXQQ-UHFFFAOYSA-N 0 0 401.253 4.655 50 0 HJAARN Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccc(Br)cc3F)sc21 ZINC000020616011 558392768 /nfs/dbraw/zinc/39/27/68/558392768.db2.gz UGCCENQLUILRSP-UHFFFAOYSA-N 0 0 422.201 4.808 50 0 HJAARN CC[C@@H](C(=O)Nc1ccc(C)c(C)c1)n1ccc(C(=O)Nc2ccc(C)c(C)c2)n1 ZINC000020617433 558393641 /nfs/dbraw/zinc/39/36/41/558393641.db2.gz GZJSXUKORFBKTL-QFIPXVFZSA-N 0 0 404.514 4.959 50 0 HJAARN CC[C@@H](C(=O)Nc1cc(C)cc(C)c1)n1ccc(C(=O)Nc2cc(C)cc(C)c2)n1 ZINC000020617437 558393698 /nfs/dbraw/zinc/39/36/98/558393698.db2.gz NELLOXYROBLQOO-QFIPXVFZSA-N 0 0 404.514 4.959 50 0 HJAARN O=C(CCC1CCN(C(=O)[C@@H]2CC=CCC2)CC1)NCc1cccc(C(F)(F)F)c1 ZINC000012387162 558395848 /nfs/dbraw/zinc/39/58/48/558395848.db2.gz CBCZGSHHQJIVDL-LJQANCHMSA-N 0 0 422.491 4.697 50 0 HJAARN CCn1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c(=O)c2ccc(C)nc21 ZINC000012389611 558396918 /nfs/dbraw/zinc/39/69/18/558396918.db2.gz NXUYDXRBWRSLAW-UHFFFAOYSA-N 0 0 413.477 4.556 50 0 HJAARN COc1cc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc(OC)c1OC ZINC000012403990 558397829 /nfs/dbraw/zinc/39/78/29/558397829.db2.gz NKIZUUDAMWOGNX-CJFMBICVSA-N 0 0 416.477 4.955 50 0 HJAARN COc1ccc(OC)c(NC(=O)c2ccc3nc(-n4c(C)ccc4C)sc3c2)c1 ZINC000012408497 558399476 /nfs/dbraw/zinc/39/94/76/558399476.db2.gz YQXMIOYDNQIQOD-UHFFFAOYSA-N 0 0 407.495 4.973 50 0 HJAARN O=C(NCc1ccco1)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000020721380 558403026 /nfs/dbraw/zinc/40/30/26/558403026.db2.gz LDLVRNPRGGTMKL-HSZRJFAPSA-N 0 0 414.505 4.648 50 0 HJAARN O=S(=O)(c1nc(-c2cccs2)oc1NCCc1ccccc1)c1ccccc1 ZINC000012419561 558403215 /nfs/dbraw/zinc/40/32/15/558403215.db2.gz VWURTRXYBNTOFY-UHFFFAOYSA-N 0 0 410.520 4.891 50 0 HJAARN Cc1nc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2cc(F)ccc2F)cs1 ZINC000012433081 558407236 /nfs/dbraw/zinc/40/72/36/558407236.db2.gz PIBFZQDDONCYMA-OAQYLSRUSA-N 0 0 409.461 4.999 50 0 HJAARN CSc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccc(F)cc2)cc1 ZINC000012436863 558409212 /nfs/dbraw/zinc/40/92/12/558409212.db2.gz SNRLUZWDLAWCEY-RCCKNPSSSA-N 0 0 406.482 4.957 50 0 HJAARN C[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1ccc2cc(Br)ccc21 ZINC000020762977 558411465 /nfs/dbraw/zinc/41/14/65/558411465.db2.gz IWTRWWOCJKFKAC-CQSZACIVSA-N 0 0 410.315 4.633 50 0 biogenic HJAARN O=C(NCc1nc2ccccc2o1)c1csc2nc(-c3ccccc3Cl)cn12 ZINC000012445957 558414016 /nfs/dbraw/zinc/41/40/16/558414016.db2.gz UDMZMVHWYWHZPM-UHFFFAOYSA-N 0 0 408.870 4.787 50 0 HJAARN Cc1nc2ccccc2n1CCC(=O)N1CCC[C@H](C(=O)c2ccc(Cl)cc2C)C1 ZINC000012448295 558415339 /nfs/dbraw/zinc/41/53/39/558415339.db2.gz ABCWZEIDHWTANE-SFHVURJKSA-N 0 0 423.944 4.818 50 0 HJAARN COc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(-c4ccc(OC)cc4)o3)C2)cc1 ZINC000012448839 558415588 /nfs/dbraw/zinc/41/55/88/558415588.db2.gz NLTCRTIFKMWSPO-LJQANCHMSA-N 0 0 406.482 4.681 50 0 HJAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000010694619 558418112 /nfs/dbraw/zinc/41/81/12/558418112.db2.gz PELHASVZHMNVCB-NRFANRHFSA-N 0 0 412.489 4.891 50 0 HJAARN COc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3C)CC2=O)c1 ZINC000012463066 558419655 /nfs/dbraw/zinc/41/96/55/558419655.db2.gz AWFUVWBKELHOTE-FQEVSTJZSA-N 0 0 411.505 4.922 50 0 HJAARN Cc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(C)cc2C)c(C)c1 ZINC000004341742 558425510 /nfs/dbraw/zinc/42/55/10/558425510.db2.gz WDXDATQNQAAEQV-UHFFFAOYSA-N 0 0 417.538 4.780 50 0 HJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC=C1N=C(c2ccccc2)OC1=O ZINC000012561938 558428090 /nfs/dbraw/zinc/42/80/90/558428090.db2.gz UMQZDOVUKZEAJS-QGOAFFKASA-N 0 0 418.474 4.849 50 0 HJAARN Fc1ccc(CN2COc3cc4c(cc3C2)OCN(Cc2ccc(F)cc2)C4)cc1 ZINC000001461322 558433817 /nfs/dbraw/zinc/43/38/17/558433817.db2.gz WDTKAFZAJMOFIF-UHFFFAOYSA-N 0 0 408.448 4.669 50 0 HJAARN Cc1ccccc1CC(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000021221695 558434213 /nfs/dbraw/zinc/43/42/13/558434213.db2.gz WSZUOIAYSPKMFU-UHFFFAOYSA-N 0 0 414.914 4.630 50 0 HJAARN COc1ccc(C2=NC[C@@H](CSc3nc(C)c(Cc4ccccc4)[nH]3)S2)cc1 ZINC000021331803 558436112 /nfs/dbraw/zinc/43/61/12/558436112.db2.gz FISGBPGFEAFNDK-IBGZPJMESA-N 0 0 409.580 4.972 50 0 HJAARN Cc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccc(C)cc3C)C2=O)s1 ZINC000021343591 558436764 /nfs/dbraw/zinc/43/67/64/558436764.db2.gz MNBITYOGTVKYMS-XMMPIXPASA-N 0 0 405.519 4.681 50 0 HJAARN Cc1ccc(NC(=O)N2CCC(CCC(=O)N(C)Cc3ccccc3)CC2)cc1C ZINC000012595079 558437471 /nfs/dbraw/zinc/43/74/71/558437471.db2.gz ZWCHQOSLDOCVFP-UHFFFAOYSA-N 0 0 407.558 4.986 50 0 HJAARN COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)c2ccco2)c1 ZINC000004353925 558439455 /nfs/dbraw/zinc/43/94/55/558439455.db2.gz KSONTKJSZHKTRB-UHFFFAOYSA-N 0 0 406.394 4.548 50 0 HJAARN CCOC(=O)[C@H]1Cc2ccccc2CN1Cc1cccc(OCc2ccccc2)c1 ZINC000012628951 558441130 /nfs/dbraw/zinc/44/11/30/558441130.db2.gz NERRDFXHHNCTDC-RUZDIDTESA-N 0 0 401.506 4.756 50 0 HJAARN CCCN(CC(=O)N[C@@H](C)c1cc2ccccc2o1)Cc1nnc(-c2cccs2)o1 ZINC000021582630 558442012 /nfs/dbraw/zinc/44/20/12/558442012.db2.gz VHHPAMAYJRZALY-HNNXBMFYSA-N 0 0 424.526 4.634 50 0 HJAARN CCOc1cc(C(=O)Nc2cccnc2)ccc1OCCOc1ccccc1Cl ZINC000012632223 558442391 /nfs/dbraw/zinc/44/23/91/558442391.db2.gz XTZYFXHSIVTZFX-UHFFFAOYSA-N 0 0 412.873 4.844 50 0 HJAARN CCOC(=O)[C@H](C)Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1OC ZINC000004356262 558443775 /nfs/dbraw/zinc/44/37/75/558443775.db2.gz LUAVDKMKAQKSHF-ZDUSSCGKSA-N 0 0 417.918 4.640 50 0 HJAARN Cc1ccccc1NC(=O)N1CCc2nc(-c3ccccc3)nc(N3CCCC3)c2C1 ZINC000004356667 558444908 /nfs/dbraw/zinc/44/49/08/558444908.db2.gz HIZOMHNZCGLGLZ-UHFFFAOYSA-N 0 0 413.525 4.642 50 0 HJAARN COC(=O)c1cccc(CSc2nnc(-c3cccnc3)n2-c2ccc(C)cc2)c1 ZINC000004358170 558446421 /nfs/dbraw/zinc/44/64/21/558446421.db2.gz YDOPUWAEUVWBPL-UHFFFAOYSA-N 0 0 416.506 4.717 50 0 HJAARN COC(=O)c1cccc(CSc2nnc(-c3ccco3)n2-c2ccc(C)cc2)c1 ZINC000004358407 558446547 /nfs/dbraw/zinc/44/65/47/558446547.db2.gz GDVGOWPOHOIFBV-UHFFFAOYSA-N 0 0 405.479 4.915 50 0 HJAARN Cc1ccc(-c2nc(SCC(=O)Nc3ncc(Cl)c(C)c3Cl)n[nH]2)cc1 ZINC000021730996 558447403 /nfs/dbraw/zinc/44/74/03/558447403.db2.gz RUHXRIZYOKAICW-UHFFFAOYSA-N 0 0 408.314 4.521 50 0 HJAARN Cc1ccc(-c2noc(CSc3nc4c(-c5ccccc5)c[nH]c4c(=O)[nH]3)n2)cc1 ZINC000021731035 558447443 /nfs/dbraw/zinc/44/74/43/558447443.db2.gz GSEOLTNJIGGHTA-UHFFFAOYSA-N 0 0 415.478 4.569 50 0 HJAARN COc1ccc(F)c(-c2nc(CN3CCC[C@H](OCc4ccccc4)C3)c(C)o2)c1 ZINC000012704040 558448919 /nfs/dbraw/zinc/44/89/19/558448919.db2.gz IZVWLYQWLFBFBV-FQEVSTJZSA-N 0 0 410.489 4.979 50 0 HJAARN COc1ccc(-c2nc(CN3CCC[C@@H](OCc4ccccc4)C3)c(C)o2)cc1OC ZINC000012704045 558448972 /nfs/dbraw/zinc/44/89/72/558448972.db2.gz PXVRGKHWKMKWIY-OAQYLSRUSA-N 0 0 422.525 4.848 50 0 HJAARN O=C(CC[C@@H]1CCCN(C(=O)Cc2ccc(-c3ccccc3)cc2)C1)N1CCCC1 ZINC000012709558 558451615 /nfs/dbraw/zinc/45/16/15/558451615.db2.gz BPVLPJKHTHHUMC-QFIPXVFZSA-N 0 0 404.554 4.537 50 0 HJAARN COc1ccc(OC)c(-c2nc(CN(C)Cc3cccc4cnccc43)c(C)o2)c1 ZINC000012710834 558452209 /nfs/dbraw/zinc/45/22/09/558452209.db2.gz APMDNZQVVSARLC-UHFFFAOYSA-N 0 0 403.482 4.847 50 0 HJAARN CN(C(=O)c1ccc2cccc(Cl)c2n1)[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000012714557 558454369 /nfs/dbraw/zinc/45/43/69/558454369.db2.gz ADNKDKFKVBGWNQ-GOSISDBHSA-N 0 0 411.908 4.764 50 0 HJAARN Cc1oc(-c2ccccc2)nc1COC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000010801151 558455608 /nfs/dbraw/zinc/45/56/08/558455608.db2.gz HHNWSKKOPUXIHS-LJQANCHMSA-N 0 0 419.481 4.637 50 0 HJAARN Cc1sc2nc(SC[C@H]3CCCO3)n(-c3ccc(Cl)cc3)c(=O)c2c1C ZINC000012780519 558462885 /nfs/dbraw/zinc/46/28/85/558462885.db2.gz VDXCSQXYXIQESD-OAHLLOKOSA-N 0 0 406.960 4.989 50 0 HJAARN Cc1sc2nc(SC[C@@H]3CCCO3)n(-c3ccc(Cl)cc3)c(=O)c2c1C ZINC000012780517 558462961 /nfs/dbraw/zinc/46/29/61/558462961.db2.gz VDXCSQXYXIQESD-HNNXBMFYSA-N 0 0 406.960 4.989 50 0 HJAARN O=C([C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)c1ccccc1)N1CCCCC1 ZINC000022090796 558463255 /nfs/dbraw/zinc/46/32/55/558463255.db2.gz SBEAIZJCKCXWPI-FQEVSTJZSA-N 0 0 422.554 4.643 50 0 HJAARN O=c1/c(=C/c2ccccc2OCc2ccc(Cl)cc2)sc2nc3ccccc3n12 ZINC000022215413 558466772 /nfs/dbraw/zinc/46/67/72/558466772.db2.gz BZKBJTLRJROHLM-BKUYFWCQSA-N 0 0 418.905 4.689 50 0 HJAARN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1csc(-c2ccccc2)n1 ZINC000012793210 558466907 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O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)NCc1nnc2ccccn21 ZINC000026504282 558661913 /nfs/dbraw/zinc/66/19/13/558661913.db2.gz HDHDGBBPUGVHAR-JOCHJYFZSA-N 0 0 422.941 4.522 50 0 HJAARN CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000026531310 558662550 /nfs/dbraw/zinc/66/25/50/558662550.db2.gz QCGOXFFEDKYDTO-UHFFFAOYSA-N 0 0 419.978 4.759 50 0 HJAARN Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1Nc2sc3c(c2C(=O)N1)CC[C@H](C)C3 ZINC000004543291 558663516 /nfs/dbraw/zinc/66/35/16/558663516.db2.gz MCBSQBXFUYHANF-JEOXALJRSA-N 0 0 412.946 4.875 50 0 HJAARN Cc1oc(-c2ccccc2)nc1COC(=O)c1cccc(I)c1 ZINC000014730886 558665283 /nfs/dbraw/zinc/66/52/83/558665283.db2.gz ABMDFOUIONLLSO-UHFFFAOYSA-N 0 0 419.218 4.612 50 0 HJAARN O=C(N[C@@H](Nc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1)c1ccc(F)cc1 ZINC000026964713 558667741 /nfs/dbraw/zinc/66/77/41/558667741.db2.gz DVHOQGYVKZBYDX-HXUWFJFHSA-N 0 0 416.374 4.895 50 0 HJAARN C[C@@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccc(NC(=O)C2CC2)cc1 ZINC000027292315 558671596 /nfs/dbraw/zinc/67/15/96/558671596.db2.gz QUBOTTYCGJROMH-OAHLLOKOSA-N 0 0 421.472 4.639 50 0 HJAARN COc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000027348623 558672333 /nfs/dbraw/zinc/67/23/33/558672333.db2.gz ZRDUHQYEVSLNMB-KRWDZBQOSA-N 0 0 408.285 4.637 50 0 HJAARN CCCn1c2cc(C(F)(F)F)ccc2nc1S[C@H](C)C(=O)Nc1cc(C)on1 ZINC000011021889 558678017 /nfs/dbraw/zinc/67/80/17/558678017.db2.gz OFLXYSJPERVJEV-LLVKDONJSA-N 0 0 412.437 4.881 50 0 HJAARN Cc1ccc(OCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCCC2)cc1C ZINC000027663862 558678975 /nfs/dbraw/zinc/67/89/75/558678975.db2.gz CEKJRCXEROJXCZ-QFIPXVFZSA-N 0 0 400.950 4.679 50 0 HJAARN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cc(-c2ccc(Br)cc2)no1 ZINC000027747213 558681506 /nfs/dbraw/zinc/68/15/06/558681506.db2.gz ZKMJXWZAMBUACI-LLVKDONJSA-N 0 0 405.223 4.649 50 0 HJAARN COc1ccc(-c2nsc(NC(=O)Cc3cccc4ccccc43)n2)cc1OC ZINC000027794698 558683101 /nfs/dbraw/zinc/68/31/01/558683101.db2.gz YSWAKPOCVUUDRW-UHFFFAOYSA-N 0 0 405.479 4.557 50 0 HJAARN CSc1ccc(C(=O)[C@@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)cc1 ZINC000014966643 558685858 /nfs/dbraw/zinc/68/58/58/558685858.db2.gz CQMTWZUAAFSNAR-LJQANCHMSA-N 0 0 406.551 4.944 50 0 HJAARN CCc1c2cc(Br)ccc2oc1C(=O)c1ccc(CCNC(C)=O)s1 ZINC000028000874 558689339 /nfs/dbraw/zinc/68/93/39/558689339.db2.gz WUNDVSGLFUUPRV-UHFFFAOYSA-N 0 0 420.328 4.729 50 0 HJAARN CCOC(=O)[C@@]1(CCc2ccccc2)CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 ZINC000014978658 558690176 /nfs/dbraw/zinc/69/01/76/558690176.db2.gz OJNSPQWHAHVJGG-RUZDIDTESA-N 0 0 404.510 4.586 50 0 HJAARN OC1(Cc2cc(-c3ccccc3)no2)CCN(Cc2ccc([C@H]3CCCCO3)o2)CC1 ZINC000014978428 558690186 /nfs/dbraw/zinc/69/01/86/558690186.db2.gz IYRLTOAVQPMZSQ-HSZRJFAPSA-N 0 0 422.525 4.746 50 0 HJAARN O=C(/C=C/c1cccs1)N1CC[C@H]2[C@H](CCC(=O)N2CCC2CCCCC2)C1 ZINC000014991411 558694475 /nfs/dbraw/zinc/69/44/75/558694475.db2.gz RYTHLISITGDRKC-HKUNNYQMSA-N 0 0 400.588 4.571 50 0 HJAARN CCOc1ccc2ccccc2c1/C=C1\NC(=S)N(c2ccc(OC)cc2)C1=O ZINC000015010099 558699901 /nfs/dbraw/zinc/69/99/01/558699901.db2.gz CUIVWSSFGYZIMH-ZHZULCJRSA-N 0 0 404.491 4.509 50 0 HJAARN O=C(Nc1ccnn1Cc1cccs1)c1cc(-c2ccc3c(c2)CCCC3)on1 ZINC000028404790 558700205 /nfs/dbraw/zinc/70/02/05/558700205.db2.gz AVZPXOVODWSGSK-UHFFFAOYSA-N 0 0 404.495 4.779 50 0 HJAARN C[C@@H]1C[C@@H](OC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)C(=O)O1 ZINC000072274739 558700423 /nfs/dbraw/zinc/70/04/23/558700423.db2.gz NRAUGSZLFSDERV-KZULUSFZSA-N 0 0 400.427 4.725 50 0 HJAARN O=C(CSCc1ccc(Cl)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000028581297 558702342 /nfs/dbraw/zinc/70/23/42/558702342.db2.gz IAKQRGRNPDHJHW-SFHVURJKSA-N 0 0 403.931 4.708 50 0 HJAARN Cc1cc2cc(NC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CCCC3)ccc2[nH]1 ZINC000072277109 558702595 /nfs/dbraw/zinc/70/25/95/558702595.db2.gz UTWJNZLWVMFFEE-UHFFFAOYSA-N 0 0 416.930 4.855 50 0 HJAARN CCOC(=O)C[C@@H]1CCCCN1Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000015063721 558706433 /nfs/dbraw/zinc/70/64/33/558706433.db2.gz QHJKGQZTSPHJHH-NRFANRHFSA-N 0 0 419.525 4.558 50 0 HJAARN Cc1ccc(-c2noc(CSCC(=O)N[C@@H](C)c3cc4ccccc4o3)n2)cc1 ZINC000028909077 558706914 /nfs/dbraw/zinc/70/69/14/558706914.db2.gz GKIVYPKJQHHMCC-HNNXBMFYSA-N 0 0 407.495 4.902 50 0 HJAARN COc1cc(CCC(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)cc(OC)c1OC ZINC000029240542 558712311 /nfs/dbraw/zinc/71/23/11/558712311.db2.gz WJMHXYDKMIAFLE-CYBMUJFWSA-N 0 0 411.420 4.541 50 0 HJAARN COc1ccc(-c2noc(CCCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000013483838 558713940 /nfs/dbraw/zinc/71/39/40/558713940.db2.gz VRYDJIKOJHHHHQ-UHFFFAOYSA-N 0 0 405.376 4.725 50 0 HJAARN FC(F)(F)c1ccnc(Sc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)n1 ZINC000029441240 558715319 /nfs/dbraw/zinc/71/53/19/558715319.db2.gz BMMZFNUFMGXSKE-AWEZNQCLSA-N 0 0 406.433 4.689 50 0 HJAARN CCN(Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)C(=O)CCc1cnn(C)c1 ZINC000072285471 558716344 /nfs/dbraw/zinc/71/63/44/558716344.db2.gz RPELGWKQILUWSY-UHFFFAOYSA-N 0 0 419.569 4.906 50 0 HJAARN COc1ccc(N[C@H]2CCCN(C(=O)CCCc3ccc(Cl)cc3)C2)cc1OC ZINC000015079745 558718438 /nfs/dbraw/zinc/71/84/38/558718438.db2.gz ICUWDFBKMNUWHU-FQEVSTJZSA-N 0 0 416.949 4.783 50 0 HJAARN O=C(NCc1ccco1)[C@H]1CCCN1Cc1cc(-c2ccc(Cl)cc2Cl)no1 ZINC000029719934 558719293 /nfs/dbraw/zinc/71/92/93/558719293.db2.gz JIEPXGZBNAFFDN-LJQANCHMSA-N 0 0 420.296 4.522 50 0 HJAARN O=C1N(Cc2ccc(Cl)cc2)c2ccccc2[C@@]1(O)[C@@H]1CCc2ccccc2C1=O ZINC000015081781 558719369 /nfs/dbraw/zinc/71/93/69/558719369.db2.gz KGRYFFCIRSPHFM-PXDATVDWSA-N 0 0 417.892 4.520 50 0 HJAARN COc1ccc(NC(=O)c2sc3c(c2C)[C@@H](c2cccc(F)c2)CC(=O)N3)cc1 ZINC000015106638 558722964 /nfs/dbraw/zinc/72/29/64/558722964.db2.gz HWDQYAGZWUOJCI-QGZVFWFLSA-N 0 0 410.470 4.931 50 0 HJAARN Cc1cccc(OCC(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)c1C ZINC000004558301 558724365 /nfs/dbraw/zinc/72/43/65/558724365.db2.gz PXYCJFUXUMOVTF-UHFFFAOYSA-N 0 0 401.528 4.826 50 0 HJAARN CCOc1ccc(-c2nc(CSc3nnnn3Cc3cccs3)cs2)cc1 ZINC000029990702 558725398 /nfs/dbraw/zinc/72/53/98/558725398.db2.gz UXMYQYVABVYADT-UHFFFAOYSA-N 0 0 415.569 4.597 50 0 HJAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(N2CCCC2=O)c(C)c1 ZINC000032883710 558727286 /nfs/dbraw/zinc/72/72/86/558727286.db2.gz QUVCUDRDUNVROE-UHFFFAOYSA-N 0 0 413.543 4.729 50 0 HJAARN CCCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc2ccccc2c1=O ZINC000015226147 558728738 /nfs/dbraw/zinc/72/87/38/558728738.db2.gz WTLRWNSPCOHSRI-UHFFFAOYSA-N 0 0 422.337 4.844 50 0 HJAARN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc2ccccc2n1 ZINC000015317926 558732165 /nfs/dbraw/zinc/73/21/65/558732165.db2.gz FQJISQGAHYPEEC-UHFFFAOYSA-N 0 0 400.507 4.502 50 0 HJAARN COc1ccc([C@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccccc2F)cc1 ZINC000015412784 558738369 /nfs/dbraw/zinc/73/83/69/558738369.db2.gz LUQZLBMBNDHPJD-DEOSSOPVSA-N 0 0 418.468 4.572 50 0 HJAARN COP(=O)(OC)[C@H](Nc1ccc(I)cc1)c1ccccc1 ZINC000003092828 558748421 /nfs/dbraw/zinc/74/84/21/558748421.db2.gz SGRSOAUPORTBRP-HNNXBMFYSA-N 0 0 417.183 4.888 50 0 HJAARN CCOP(=O)(OCC)c1nc(-c2ccc(F)cc2)oc1NCc1ccccc1 ZINC000003109809 558749529 /nfs/dbraw/zinc/74/95/29/558749529.db2.gz LLQQBAKDIGUCFM-UHFFFAOYSA-N 0 0 404.378 4.984 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc2ccccc21 ZINC000015746387 558751341 /nfs/dbraw/zinc/75/13/41/558751341.db2.gz CTXICTMMBBDAIY-NRFANRHFSA-N 0 0 421.884 4.768 50 0 HJAARN Cc1cccc(Nc2nnc(S[C@H](C)C(=O)NCCc3ccccc3)s2)c1C ZINC000015816969 558754409 /nfs/dbraw/zinc/75/44/09/558754409.db2.gz NAYVFLQXKXNJCY-MRXNPFEDSA-N 0 0 412.584 4.738 50 0 HJAARN COc1ccc(OCC(=O)N(C)[C@@H](c2cccs2)c2c[nH]c3ccccc32)cc1 ZINC000015835570 558755735 /nfs/dbraw/zinc/75/57/35/558755735.db2.gz MIVQZWRFVZBWGD-HSZRJFAPSA-N 0 0 406.507 4.865 50 0 HJAARN O=C(c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F)N1CCC[C@H]1c1ccco1 ZINC000015835879 558755888 /nfs/dbraw/zinc/75/58/88/558755888.db2.gz QJHCLAQFGRFSHQ-AWEZNQCLSA-N 0 0 416.359 4.578 50 0 HJAARN CCCOC(=O)c1ccc(NC(=O)C2=Cc3cc(Cl)cc(OC)c3OC=C2)cc1 ZINC000015838717 558756464 /nfs/dbraw/zinc/75/64/64/558756464.db2.gz YJJMHNPAFANSGX-UHFFFAOYSA-N 0 0 413.857 4.844 50 0 HJAARN Cc1c(C(=O)N2c3ccccc3N(C(=O)OC(C)(C)C)C[C@H]2C)oc2c1C(=O)CCC2 ZINC000072305141 558757903 /nfs/dbraw/zinc/75/79/03/558757903.db2.gz GWDPOTNIXXVYEE-CQSZACIVSA-N 0 0 424.497 4.897 50 0 HJAARN O=C1NC(Cc2ccccc2)(Cc2ccccc2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000015910594 558761745 /nfs/dbraw/zinc/76/17/45/558761745.db2.gz JVDHRAJBUCQFNQ-UHFFFAOYSA-N 0 0 422.887 4.755 50 0 HJAARN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NCc3nc4ccccc4[nH]3)cc12 ZINC000015913218 558761959 /nfs/dbraw/zinc/76/19/59/558761959.db2.gz IPWTYPWFDPOFLZ-UHFFFAOYSA-N 0 0 421.913 4.855 50 0 HJAARN Cc1ccccc1CC(=O)N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000033266258 558763202 /nfs/dbraw/zinc/76/32/02/558763202.db2.gz YJPLHWFYEFAFHN-QFIPXVFZSA-N 0 0 401.441 4.632 50 0 HJAARN Cc1ccc(C(=O)[C@@H]2C(C=Cc3ccccc3)=NO[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000015971884 558764668 /nfs/dbraw/zinc/76/46/68/558764668.db2.gz VJVMMTXDAXEZJD-AOUFBRLBSA-N 0 0 408.457 4.741 50 0 HJAARN O=C(C=Cc1ccc(OCc2ccccc2)cc1)Nc1ccc2[nH]c(=O)sc2c1 ZINC000072307866 558768140 /nfs/dbraw/zinc/76/81/40/558768140.db2.gz CCAYUXFKJSBHQA-MDWZMJQESA-N 0 0 402.475 4.821 50 0 HJAARN O=C(Nc1ccc(OC(=O)N(c2ccccc2)c2ccccc2)cc1)N1CCOCC1 ZINC000001149950 558775614 /nfs/dbraw/zinc/77/56/14/558775614.db2.gz MBZZDWLOVFZEMQ-UHFFFAOYSA-N 0 0 417.465 4.888 50 0 HJAARN O=C(N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1)c1csc(-c2ccsc2)n1 ZINC000072309914 558778657 /nfs/dbraw/zinc/77/86/57/558778657.db2.gz NMADBFLAIQNERE-RBUKOAKNSA-N 0 0 406.536 4.727 50 0 HJAARN C[C@H](CCc1ccccc1)NC(=O)CCCCC(=O)N[C@@H](C)CCc1ccccc1 ZINC000016226169 558779458 /nfs/dbraw/zinc/77/94/58/558779458.db2.gz YNMNRUWMCQZSNC-SZPZYZBQSA-N 0 0 408.586 4.822 50 0 HJAARN COc1ccccc1[C@H](CCNc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000016228404 558780076 /nfs/dbraw/zinc/78/00/76/558780076.db2.gz FBCJARMQMWDXIY-GOSISDBHSA-N 0 0 405.450 4.787 50 0 HJAARN CC(=C\c1ccccc1)/C=C1\SC(=O)N(CCCC(=O)Nc2nccs2)C1=O ZINC000004746918 558780721 /nfs/dbraw/zinc/78/07/21/558780721.db2.gz TVJPPZIZCCMRIS-QLKCLSONSA-N 0 0 413.524 4.545 50 0 HJAARN CCOC(=O)[C@@H](C)Oc1ccc2oc(=O)cc(-c3cc4cccc(OC)c4o3)c2c1 ZINC000004586209 558782476 /nfs/dbraw/zinc/78/24/76/558782476.db2.gz FFFOXEXYJUVREJ-CYBMUJFWSA-N 0 0 408.406 4.545 50 0 biogenic HJAARN CCN(C)C(=O)c1csc(-c2ccc(OCc3ccc(F)c(F)c3)c(OC)c2)n1 ZINC000034712476 558783240 /nfs/dbraw/zinc/78/32/40/558783240.db2.gz MDQHJPRQYAYXRM-UHFFFAOYSA-N 0 0 418.465 4.768 50 0 HJAARN O=C(OCc1ccc(S(=O)(=O)c2ccccc2)cc1)c1cc2ccccc2cc1O ZINC000016293748 558784333 /nfs/dbraw/zinc/78/43/33/558784333.db2.gz PEBGWYJSBGMBAN-UHFFFAOYSA-N 0 0 418.470 4.735 50 0 HJAARN Cc1ccc(-c2nc(=Nc3ccccc3)sn2CS(=O)(=O)c2ccccc2)cc1 ZINC000334157328 558786668 /nfs/dbraw/zinc/78/66/68/558786668.db2.gz HYCVODOHHKIKGO-UHFFFAOYSA-N 0 0 421.547 4.584 50 0 HJAARN O=C(Nc1cc(-c2ccc(F)cc2F)no1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000072311537 558787547 /nfs/dbraw/zinc/78/75/47/558787547.db2.gz GEGQLGVIJZFIFA-UHFFFAOYSA-N 0 0 424.407 4.616 50 0 HJAARN CCCN(CCC)S(=O)(=O)c1cc(-c2nc(-c3ccccc3)no2)sc1C ZINC000035512492 558793018 /nfs/dbraw/zinc/79/30/18/558793018.db2.gz ITOFKUCGEHASLO-UHFFFAOYSA-N 0 0 405.545 4.584 50 0 HJAARN CCOC(=O)c1cccc(Nc2c(-c3ccc(O)c(OC)c3)nc3cc(C)ccn32)c1 ZINC000035616399 558794649 /nfs/dbraw/zinc/79/46/49/558794649.db2.gz NDYFOVUFDAMHIY-UHFFFAOYSA-N 0 0 417.465 4.944 50 0 HJAARN COC(=O)c1ccc(-c2nc3ccc(C)cn3c2Nc2cc(OC)ccc2OC)cc1 ZINC000035616405 558794669 /nfs/dbraw/zinc/79/46/69/558794669.db2.gz ZVMFRTFZPGNRGS-UHFFFAOYSA-N 0 0 417.465 4.857 50 0 HJAARN CC(C)C(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000016574951 558795881 /nfs/dbraw/zinc/79/58/81/558795881.db2.gz UYUHOQMBNQQWTH-UHFFFAOYSA-N 0 0 410.326 4.715 50 0 HJAARN CC(=O)Nc1ccc(S(=O)(=O)N(Cc2cccc(C)c2)c2cccc(C)c2)cc1 ZINC000036247952 558798620 /nfs/dbraw/zinc/79/86/20/558798620.db2.gz AJHAWDHZTASPGG-UHFFFAOYSA-N 0 0 408.523 4.657 50 0 HJAARN O=C(N[C@@H](Nc1ccccc1Br)C(=O)c1cccs1)c1ccccc1 ZINC000016713528 558802041 /nfs/dbraw/zinc/80/20/41/558802041.db2.gz SEXMEPJLEZCSOU-GOSISDBHSA-N 0 0 415.312 4.562 50 0 HJAARN CC(C)CCNC(=O)[C@]1(C)CCc2ccccc2C(=O)N1Cc1ccccc1Cl ZINC000032977832 558803485 /nfs/dbraw/zinc/80/34/85/558803485.db2.gz XIUPTRVHKNDOLL-DEOSSOPVSA-N 0 0 412.961 4.850 50 0 HJAARN Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(F)cc4)cc23)c(C)c1 ZINC000016841458 558808237 /nfs/dbraw/zinc/80/82/37/558808237.db2.gz VSTRHLFVPHBCEA-UHFFFAOYSA-N 0 0 406.486 4.883 50 0 HJAARN C[C@@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1ccc(F)c(F)c1 ZINC000016912655 558809181 /nfs/dbraw/zinc/80/91/81/558809181.db2.gz NMMYOCNMOSRGPE-MRXNPFEDSA-N 0 0 422.475 4.848 50 0 HJAARN COc1ccc(Nc2nc(NC3CCCC3)nc3c2cnn3-c2ccccc2)cc1 ZINC000016954246 558809789 /nfs/dbraw/zinc/80/97/89/558809789.db2.gz MSJZQTDCDMDBJA-UHFFFAOYSA-N 0 0 400.486 4.922 50 0 HJAARN COc1ccc(Nc2nc(NCc3ccco3)nc3c2cnn3-c2ccccc2)cc1 ZINC000016954265 558809969 /nfs/dbraw/zinc/80/99/69/558809969.db2.gz QSOBLZONJBXDOZ-UHFFFAOYSA-N 0 0 412.453 4.773 50 0 HJAARN CCc1c(C)nc2ncnn2c1Sc1ccccc1NC(=O)c1cccc(F)c1 ZINC000032995749 558810093 /nfs/dbraw/zinc/81/00/93/558810093.db2.gz CRBJKACEMSFLBO-UHFFFAOYSA-N 0 0 407.474 4.538 50 0 HJAARN Cc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000017082139 558814197 /nfs/dbraw/zinc/81/41/97/558814197.db2.gz ZDNORKSQKBMODY-UHFFFAOYSA-N 0 0 401.301 4.597 50 0 HJAARN C[C@@H]1C[C@H](C)CN(C(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3ccccc32)C1 ZINC000017082448 558814536 /nfs/dbraw/zinc/81/45/36/558814536.db2.gz RZEXILFQVUYNHJ-CALCHBBNSA-N 0 0 402.494 4.791 50 0 HJAARN CC(=O)c1cccc(NC(=O)N2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000017083334 558815885 /nfs/dbraw/zinc/81/58/85/558815885.db2.gz KPFIEVMKTHUQHG-UHFFFAOYSA-N 0 0 406.313 4.546 50 0 HJAARN Cn1c(SCc2csc(-c3ccccc3)n2)nnc1-c1ccc2c(c1)OCO2 ZINC000017088003 558816751 /nfs/dbraw/zinc/81/67/51/558816751.db2.gz HPCSAFUDEPDDNL-UHFFFAOYSA-N 0 0 408.508 4.627 50 0 HJAARN Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c(C)c1 ZINC000017091216 558819837 /nfs/dbraw/zinc/81/98/37/558819837.db2.gz XDJLAGJPVWMGQZ-UHFFFAOYSA-N 0 0 417.600 4.533 50 0 HJAARN COc1ccc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)NCc3cccs3)c2c1 ZINC000017091413 558819999 /nfs/dbraw/zinc/81/99/99/558819999.db2.gz PRAUDIFXEWGDAY-UHFFFAOYSA-N 0 0 418.474 4.631 50 0 HJAARN Cc1ccc(-c2csc(NC(=O)CSc3nnc(-c4ccccc4)n3C)n2)cc1 ZINC000017092777 558821218 /nfs/dbraw/zinc/82/12/18/558821218.db2.gz PDRYDKYZIXWKIC-UHFFFAOYSA-N 0 0 421.551 4.645 50 0 HJAARN O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)NC(=S)N1c1ccccc1 ZINC000017093142 558821571 /nfs/dbraw/zinc/82/15/71/558821571.db2.gz FHASDIZHPZVOFG-CJLVFECKSA-N 0 0 422.513 4.802 50 0 HJAARN Cc1sc(NC(=O)C(C)(C)C)c(C(=O)O[C@@H](C)C(=O)Nc2cccc(C)c2)c1C ZINC000017133672 558823406 /nfs/dbraw/zinc/82/34/06/558823406.db2.gz VZFDLRSPZUPFRK-AWEZNQCLSA-N 0 0 416.543 4.842 50 0 HJAARN COc1ccc(-c2noc(CCCC(=O)Nc3c(C)cc(C)cc3C)n2)cc1OC ZINC000033000180 558826682 /nfs/dbraw/zinc/82/66/82/558826682.db2.gz HGUGORYHEXWSSA-UHFFFAOYSA-N 0 0 409.486 4.640 50 0 HJAARN CC(=O)Nc1nc2ccc(NC(=O)Nc3ccc(Br)c(C)c3)cc2s1 ZINC000033008156 558828858 /nfs/dbraw/zinc/82/88/58/558828858.db2.gz KGCLFSLEKCFSBQ-UHFFFAOYSA-N 0 0 419.304 4.970 50 0 HJAARN O=C(Nc1ccccc1C(F)(F)F)c1ccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC000017987733 558829261 /nfs/dbraw/zinc/82/92/61/558829261.db2.gz LQOPOFPJRSVIOF-IYBDPMFKSA-N 0 0 416.399 4.637 50 0 HJAARN CCCCN(CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1cc(F)cc(F)c1 ZINC000004591123 558829290 /nfs/dbraw/zinc/82/92/90/558829290.db2.gz YUUIVHUEBBFMLG-QFIPXVFZSA-N 0 0 422.516 4.980 50 0 HJAARN O=C(Cc1csc(COc2ccccc2)n1)Nc1cccc(Br)c1 ZINC000033326310 558829666 /nfs/dbraw/zinc/82/96/66/558829666.db2.gz XUSTYNHQRGCJOJ-UHFFFAOYSA-N 0 0 403.301 4.666 50 0 HJAARN COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C ZINC000000680485 558829920 /nfs/dbraw/zinc/82/99/20/558829920.db2.gz NYKMOLHDXZPWRD-XQNSMLJCSA-N 0 0 412.489 4.971 50 0 HJAARN CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)cc1 ZINC000018101495 558831214 /nfs/dbraw/zinc/83/12/14/558831214.db2.gz AOCKXCRCXDYRCU-SIQOOTDXSA-N 0 0 421.496 4.634 50 0 HJAARN COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2c(Br)c(C)nn21 ZINC000013645342 558831483 /nfs/dbraw/zinc/83/14/83/558831483.db2.gz ABHIIAPLYFBZOT-UHFFFAOYSA-N 0 0 415.074 4.561 50 0 HJAARN Cc1c[nH]c2nccc(Oc3c(F)cc(Nc4cc(Cl)nc(N)n4)cc3F)c12 ZINC000043201623 558832295 /nfs/dbraw/zinc/83/22/95/558832295.db2.gz NRSGWEVTVGZDFC-UHFFFAOYSA-N 0 0 402.792 4.711 50 0 in-vitro HJAARN C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)NCC1CCCCC1 ZINC000004596938 558832829 /nfs/dbraw/zinc/83/28/29/558832829.db2.gz JFNRMGRGKJCZDK-CQSZACIVSA-N 0 0 402.539 4.596 50 0 HJAARN COc1cc(OC)c(OC)cc1CNC(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000071945521 558833220 /nfs/dbraw/zinc/83/32/20/558833220.db2.gz QVRDPOSJNCIHPP-UHFFFAOYSA-N 0 0 412.313 4.658 50 0 HJAARN C[C@H](CNC(=O)COc1cccc2ccccc21)c1nc2ccccc2n1C(F)F ZINC000010637009 558833236 /nfs/dbraw/zinc/83/32/36/558833236.db2.gz MKRQOXHZHBKWCF-OAHLLOKOSA-N 0 0 409.436 4.883 50 0 HJAARN C[C@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1nc2ccccc2n1C(F)F ZINC000010639884 558833370 /nfs/dbraw/zinc/83/33/70/558833370.db2.gz DLYAPCNVDZEEEG-CHWSQXEVSA-N 0 0 407.848 4.772 50 0 HJAARN Cc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2ccccc2)cc1C ZINC000004598195 558834065 /nfs/dbraw/zinc/83/40/65/558834065.db2.gz LJIZOLUZJNEWTH-FVDSYPCUSA-N 0 0 413.477 4.730 50 0 HJAARN Cc1cccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2cccc(C)c2)c1 ZINC000004598187 558834078 /nfs/dbraw/zinc/83/40/78/558834078.db2.gz IPKHIXZKJWMMCJ-FVDSYPCUSA-N 0 0 413.477 4.730 50 0 HJAARN COc1cccc(C(=O)Nc2ccc3sc(NC(=O)c4ccccc4)nc3c2)c1 ZINC000033020130 558836517 /nfs/dbraw/zinc/83/65/17/558836517.db2.gz ZIFJFAWCXJZSRW-UHFFFAOYSA-N 0 0 403.463 4.810 50 0 HJAARN Cc1cc(C)cc(NC(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)c1 ZINC000046009359 558838906 /nfs/dbraw/zinc/83/89/06/558838906.db2.gz FRQJFKGQMDSGTA-UHFFFAOYSA-N 0 0 416.481 4.930 50 0 HJAARN Cc1ccc(NC(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)c(C)c1 ZINC000046009413 558838982 /nfs/dbraw/zinc/83/89/82/558838982.db2.gz NPRLEJSAAGUMQP-UHFFFAOYSA-N 0 0 416.481 4.930 50 0 HJAARN Cc1ccc(-c2nc3nc(C)c(CC(=O)Nc4cccc(Cl)c4)c(C)n3n2)cc1 ZINC000046023801 558839210 /nfs/dbraw/zinc/83/92/10/558839210.db2.gz CVJGJZSBFNHOCP-UHFFFAOYSA-N 0 0 405.889 4.551 50 0 HJAARN Cc1ccccc1-c1nc2nc(C)c(CC(=O)Nc3ccc(Cl)cc3)c(C)n2n1 ZINC000046023855 558839215 /nfs/dbraw/zinc/83/92/15/558839215.db2.gz FWZQZVDQAXHMAO-UHFFFAOYSA-N 0 0 405.889 4.551 50 0 HJAARN Cc1sc(-c2nc(-c3ccc(Cl)cc3)no2)cc1S(=O)(=O)NC(C)(C)C ZINC000046141311 558839894 /nfs/dbraw/zinc/83/98/94/558839894.db2.gz XMYKHTDWRHMZRC-UHFFFAOYSA-N 0 0 411.936 4.504 50 0 HJAARN COc1cccc(-c2nc(CN3CCC[C@@H](OCc4ccccc4)C3)c(C)o2)c1OC ZINC000019220917 558851768 /nfs/dbraw/zinc/85/17/68/558851768.db2.gz UGFOCNWAHMLJFF-HXUWFJFHSA-N 0 0 422.525 4.848 50 0 HJAARN Cc1ccc(CN(Cc2nc(C(=O)NCc3ccccc3)co2)[C@H](C)C(C)C)cc1 ZINC000036063917 558853923 /nfs/dbraw/zinc/85/39/23/558853923.db2.gz ZCTAIFIHTAYGMX-HXUWFJFHSA-N 0 0 405.542 4.960 50 0 HJAARN COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2 ZINC000013694924 558856238 /nfs/dbraw/zinc/85/62/38/558856238.db2.gz BQJMIDXMKVNELA-UHFFFAOYSA-N 0 0 412.898 4.865 50 0 HJAARN CCN(CC)c1ccc(NC(=O)CCCn2nc(-c3cccs3)ccc2=O)c(C)c1 ZINC000013698657 558857046 /nfs/dbraw/zinc/85/70/46/558857046.db2.gz IBUMYZXRQCCTLY-UHFFFAOYSA-N 0 0 424.570 4.545 50 0 HJAARN Cc1ccc(CNC(=O)c2cccc([C@H]3CCCN(C(=O)Nc4ccccc4)C3)c2)o1 ZINC000033035748 558859727 /nfs/dbraw/zinc/85/97/27/558859727.db2.gz IEVCBXSBHHSGCR-NRFANRHFSA-N 0 0 417.509 4.930 50 0 HJAARN O=C(NCCc1ccco1)c1cccc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033035839 558859908 /nfs/dbraw/zinc/85/99/08/558859908.db2.gz OZMHYETYLSVNGV-OAQYLSRUSA-N 0 0 417.509 4.664 50 0 HJAARN CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)NCc2ccccc2)cc1 ZINC000033037117 558861054 /nfs/dbraw/zinc/86/10/54/558861054.db2.gz YVTXCKCEVWCHJK-UHFFFAOYSA-N 0 0 424.504 4.736 50 0 HJAARN O=C([O-])[C@H]1CCC[N@H+](CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC000013729388 558861307 /nfs/dbraw/zinc/86/13/07/558861307.db2.gz UFHSGXOXBRCZTN-KRWDZBQOSA-N 0 0 408.325 4.896 50 0 HJAARN CC(=O)Nc1c(-c2ccc(Cl)cc2)c(C)nn1-c1ccc(C(=O)N2CCCC2)cc1 ZINC000033037259 558861453 /nfs/dbraw/zinc/86/14/53/558861453.db2.gz BOOACUUENZHJJI-UHFFFAOYSA-N 0 0 422.916 4.696 50 0 HJAARN O=c1cc(CSc2nnc(COc3cccc4ccccc43)o2)c2ccccc2[nH]1 ZINC000013763886 558865973 /nfs/dbraw/zinc/86/59/73/558865973.db2.gz NLOJTGPJACOMRF-UHFFFAOYSA-N 0 0 415.474 4.936 50 0 HJAARN Cc1sc2nc(CN3CCOCC3)nc(Sc3ccc(F)c(F)c3)c2c1C ZINC000019309456 558866740 /nfs/dbraw/zinc/86/67/40/558866740.db2.gz VAKXIROARGFSPT-UHFFFAOYSA-N 0 0 407.511 4.570 50 0 HJAARN CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3)C2)s1 ZINC000033078407 558867881 /nfs/dbraw/zinc/86/78/81/558867881.db2.gz GAUXLRJZCVQXAO-CYBMUJFWSA-N 0 0 400.935 4.762 50 0 HJAARN CCc1cc2c(ncnc2N2CCC[C@H](C(=O)Nc3ccc(Cl)cc3)C2)s1 ZINC000033078408 558867927 /nfs/dbraw/zinc/86/79/27/558867927.db2.gz GAUXLRJZCVQXAO-ZDUSSCGKSA-N 0 0 400.935 4.762 50 0 HJAARN Cc1c(C(=O)N[C@@H](C)Cc2ccco2)sc2ncnc(N(C)C3CCCCC3)c12 ZINC000033078887 558868300 /nfs/dbraw/zinc/86/83/00/558868300.db2.gz GPKVODHQBPWNSN-AWEZNQCLSA-N 0 0 412.559 4.723 50 0 HJAARN COc1ccc(OCC(=O)Nc2ccc3nc(N4CCCCC4)cc(C)c3c2)cc1 ZINC000033084566 558868833 /nfs/dbraw/zinc/86/88/33/558868833.db2.gz BFBQKDJUTORALR-UHFFFAOYSA-N 0 0 405.498 4.560 50 0 HJAARN C[C@@H]1CCC[C@H](NC(=O)Cc2ccc(-n3c(=O)c4ccccc4[nH]c3=S)cc2)[C@@H]1C ZINC000004657967 558872189 /nfs/dbraw/zinc/87/21/89/558872189.db2.gz ZWPBVTCTENPOIH-QINHECLXSA-N 0 0 421.566 4.532 50 0 HJAARN Cc1ccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)cc1 ZINC000033113496 558875452 /nfs/dbraw/zinc/87/54/52/558875452.db2.gz XCVNBBDGGFIHHZ-INIZCTEOSA-N 0 0 421.526 4.510 50 0 HJAARN CC(=O)Nc1ccc2nc(CN(Cc3nccs3)Cc3ccccc3)ccc2c1 ZINC000055212025 558876222 /nfs/dbraw/zinc/87/62/22/558876222.db2.gz CDKONGVJGVIHSF-UHFFFAOYSA-N 0 0 402.523 4.852 50 0 HJAARN O=S(=O)(Cc1ccc(Cl)cc1)c1nc2ccccc2nc1N1CCCCCC1 ZINC000033114429 558876318 /nfs/dbraw/zinc/87/63/18/558876318.db2.gz KAIMDMKQFUVWNF-UHFFFAOYSA-N 0 0 415.946 4.638 50 0 HJAARN CCCCN(C)c1ccc(C(=O)OC)cc1NC(=S)Nc1cccc(OC)c1 ZINC000004669078 558876900 /nfs/dbraw/zinc/87/69/00/558876900.db2.gz MPWOLQZCPODLAN-UHFFFAOYSA-N 0 0 401.532 4.527 50 0 HJAARN O=S(=O)(Nc1ccccc1CCc1nc2ccccc2[nH]1)c1ccc2c(c1)CCC2 ZINC000033116538 558877667 /nfs/dbraw/zinc/87/76/67/558877667.db2.gz MJFAKLPSCGNLLJ-UHFFFAOYSA-N 0 0 417.534 4.638 50 0 HJAARN O=c1c(CN2CCN(c3ccccc3F)CC2)coc2c(Cl)cc(Cl)cc12 ZINC000055292270 558878725 /nfs/dbraw/zinc/87/87/25/558878725.db2.gz MLKYPOQCZUVEHK-UHFFFAOYSA-N 0 0 407.272 4.561 50 0 HJAARN Cc1nc2ncnn2c(Sc2ccc(NC(=O)Nc3cccc(F)c3)cc2)c1C ZINC000033122133 558878937 /nfs/dbraw/zinc/87/89/37/558878937.db2.gz ZCMLCIIANJNGCP-UHFFFAOYSA-N 0 0 408.462 4.675 50 0 HJAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000033122162 558878991 /nfs/dbraw/zinc/87/89/91/558878991.db2.gz UNIOUCKGEJXGLE-UHFFFAOYSA-N 0 0 404.499 4.790 50 0 HJAARN CCCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000033122066 558879036 /nfs/dbraw/zinc/87/90/36/558879036.db2.gz NVDPIWYIYHTKCE-UHFFFAOYSA-N 0 0 421.501 4.928 50 0 HJAARN O=C(Nc1cccc(Cl)c1)N[C@@H](C(=O)N1CCc2ccccc21)c1ccccc1 ZINC000033127811 558881130 /nfs/dbraw/zinc/88/11/30/558881130.db2.gz JOLFDKKMPVUJRY-OAQYLSRUSA-N 0 0 405.885 4.792 50 0 HJAARN Cc1ccc(-n2nc(S[C@@H](C)C(=O)Nc3ccccc3C)ccc2=O)cc1Cl ZINC000033128177 558881916 /nfs/dbraw/zinc/88/19/16/558881916.db2.gz AJBSGCUVPLTBBF-HNNXBMFYSA-N 0 0 413.930 4.622 50 0 HJAARN CC(C)c1ccc(-n2nc(SCC(=O)Nc3cccc(Cl)c3)ccc2=O)cc1 ZINC000033128420 558882317 /nfs/dbraw/zinc/88/23/17/558882317.db2.gz XQJRDBIDARHSON-UHFFFAOYSA-N 0 0 413.930 4.740 50 0 HJAARN O=C(Nc1ccccc1)c1cccc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000033130011 558885848 /nfs/dbraw/zinc/88/58/48/558885848.db2.gz XCRNQCNYWXJWGT-UHFFFAOYSA-N 0 0 420.534 4.781 50 0 HJAARN Cc1ccc(C)c(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)c1 ZINC000004674637 558886400 /nfs/dbraw/zinc/88/64/00/558886400.db2.gz CSPXEYAJCCWOEN-RUZDIDTESA-N 0 0 419.908 4.964 50 0 HJAARN Cc1ccc(-c2nnc(SCC(=O)N3CCc4ccccc43)n2CC(C)C)cc1 ZINC000057291767 558887948 /nfs/dbraw/zinc/88/79/48/558887948.db2.gz JHKQTESNIMEALA-UHFFFAOYSA-N 0 0 406.555 4.591 50 0 HJAARN O=C(Nc1cccc(NC(=S)NC(=O)c2ccccc2)c1)c1cc2ccccc2o1 ZINC000004677885 558889660 /nfs/dbraw/zinc/88/96/60/558889660.db2.gz JJSHQMNYSJGKNK-UHFFFAOYSA-N 0 0 415.474 4.812 50 0 HJAARN Cc1nnc(SCc2c3ccccc3oc2C(=O)N[C@H](C)c2ccccn2)s1 ZINC000057994822 558893425 /nfs/dbraw/zinc/89/34/25/558893425.db2.gz NJZTYTGVEKBVGR-GFCCVEGCSA-N 0 0 410.524 4.771 50 0 HJAARN Cc1nnc(SCc2c3ccccc3oc2C(=O)N[C@@H](C)c2ccccn2)s1 ZINC000057994820 558893429 /nfs/dbraw/zinc/89/34/29/558893429.db2.gz NJZTYTGVEKBVGR-LBPRGKRZSA-N 0 0 410.524 4.771 50 0 HJAARN COc1ccc2ccc(OCc3nc(C(=O)N(C)[C@@H](C)c4ccncc4)co3)cc2c1 ZINC000071279029 558896620 /nfs/dbraw/zinc/89/66/20/558896620.db2.gz AYROYDDIVYNNJH-INIZCTEOSA-N 0 0 417.465 4.644 50 0 HJAARN CC(C)c1cc(C(=O)Nc2cccc(CN(C)C(=O)C(F)(F)F)c2)nn1C(C)(C)C ZINC000058045571 558896771 /nfs/dbraw/zinc/89/67/71/558896771.db2.gz JERPFWWLJMJVRT-UHFFFAOYSA-N 0 0 424.467 4.535 50 0 HJAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4cccc(F)c4)cc3)sc2c1 ZINC000033169209 558898947 /nfs/dbraw/zinc/89/89/47/558898947.db2.gz IBIRMUZFSLGWIQ-UHFFFAOYSA-N 0 0 414.483 4.912 50 0 HJAARN CN(Cc1nc2ccc(Cl)cc2n1CCO)C(c1ccccc1)c1ccccc1 ZINC000058120573 558900021 /nfs/dbraw/zinc/90/00/21/558900021.db2.gz UMICZBUAMALAEN-UHFFFAOYSA-N 0 0 405.929 4.903 50 0 HJAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N(C)C1CCCCC1 ZINC000033173613 558901579 /nfs/dbraw/zinc/90/15/79/558901579.db2.gz BNVRLXQBBRMBOE-UHFFFAOYSA-N 0 0 416.465 4.876 50 0 HJAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000033173573 558901603 /nfs/dbraw/zinc/90/16/03/558901603.db2.gz BRBDEIMATNWDHA-UHFFFAOYSA-N 0 0 414.380 4.863 50 0 HJAARN O=S(=O)(NCc1ccccc1Cl)c1cc(-c2cc(C(F)(F)F)on2)cs1 ZINC000033173690 558901792 /nfs/dbraw/zinc/90/17/92/558901792.db2.gz UGAMFHZWXXLXHE-UHFFFAOYSA-N 0 0 422.837 4.554 50 0 HJAARN CCn1c(=O)c(-c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)nc2cccnc21 ZINC000033170250 558903386 /nfs/dbraw/zinc/90/33/86/558903386.db2.gz NVZNUOHLAGWQLE-UHFFFAOYSA-N 0 0 418.884 4.693 50 0 HJAARN Cc1ccc(S(=O)(=O)Nc2ccccc2SC[C@H](O)c2ccccc2)cc1C ZINC000058157578 558903470 /nfs/dbraw/zinc/90/34/70/558903470.db2.gz ZRPUAWLQTYNNPR-NRFANRHFSA-N 0 0 413.564 4.930 50 0 HJAARN O=C(Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2)C12CC3CC(CC(C3)C1)C2 ZINC000004699552 558907392 /nfs/dbraw/zinc/90/73/92/558907392.db2.gz SGACGQLMHWGHMY-UHFFFAOYSA-N 0 0 417.505 4.844 50 0 HJAARN CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3cnc4ccccc4c3)nc2)C1 ZINC000071745658 558908379 /nfs/dbraw/zinc/90/83/79/558908379.db2.gz FNJDQXLYMSBGBP-FQEVSTJZSA-N 0 0 401.510 4.764 50 0 HJAARN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1cc(-c2ccccc2)no1 ZINC000058177832 558909682 /nfs/dbraw/zinc/90/96/82/558909682.db2.gz ACYIVDQTETVCFA-LJQANCHMSA-N 0 0 405.281 4.995 50 0 HJAARN C[C@@H](NC(=O)c1ccnc(Oc2ccccc2)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000058179496 558910017 /nfs/dbraw/zinc/91/00/17/558910017.db2.gz NBBNGIIZIMBHLY-MRXNPFEDSA-N 0 0 401.466 4.713 50 0 HJAARN CCOC(=O)[C@H](NCc1cc(=O)oc2cc(C)ccc12)c1cccc2ccccc21 ZINC000058217989 558912718 /nfs/dbraw/zinc/91/27/18/558912718.db2.gz RGWXYZOWEBPVLT-XMMPIXPASA-N 0 0 401.462 4.649 50 0 HJAARN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccccc3Cl)n2)cc1 ZINC000004703894 558913332 /nfs/dbraw/zinc/91/33/32/558913332.db2.gz SGPUHWKUBDEXMU-UHFFFAOYSA-N 0 0 403.916 4.599 50 0 HJAARN COc1ccc([C@H]2CCCN2Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)cc1 ZINC000019534535 558913451 /nfs/dbraw/zinc/91/34/51/558913451.db2.gz PHTXOQLVYPXDRM-HXUWFJFHSA-N 0 0 417.534 4.997 50 0 HJAARN COc1ccc(C(=O)CN(c2ccc(Cl)cc2)C2=NCCCS2)cc1OC ZINC000004708506 558914073 /nfs/dbraw/zinc/91/40/73/558914073.db2.gz UFOGLTQMFXRIJK-UHFFFAOYSA-N 0 0 404.919 4.539 50 0 HJAARN CC[C@H](C)N(Cc1ccc(OS(=O)(=O)CC)cc1)C(=O)Nc1ccccc1C ZINC000004709097 558914118 /nfs/dbraw/zinc/91/41/18/558914118.db2.gz ZLABGOZEBVTYHV-KRWDZBQOSA-N 0 0 404.532 4.556 50 0 HJAARN C[C@@H](CNC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1)N(C)c1ccccc1 ZINC000058245937 558914735 /nfs/dbraw/zinc/91/47/35/558914735.db2.gz PGGLTHGAIRLEAX-IBGZPJMESA-N 0 0 416.525 4.610 50 0 HJAARN O=C(Nc1ccc(Br)cc1F)c1ccc(-c2noc(C3CC3)n2)cc1 ZINC000033254293 558918240 /nfs/dbraw/zinc/91/82/40/558918240.db2.gz DANCWWDYTFIPMR-UHFFFAOYSA-N 0 0 402.223 4.768 50 0 HJAARN COC(=O)[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1oc2ccc(Cl)cc2c1C ZINC000058313872 558919083 /nfs/dbraw/zinc/91/90/83/558919083.db2.gz ZMPZVHYZCPOUEZ-QGZVFWFLSA-N 0 0 407.800 4.659 50 0 HJAARN CCN(C(=O)CSCc1nc(-c2ccc(Cl)cc2)no1)c1cccc(C)c1 ZINC000033250354 558919186 /nfs/dbraw/zinc/91/91/86/558919186.db2.gz BZFFXPCFIZDPNR-UHFFFAOYSA-N 0 0 401.919 4.985 50 0 HJAARN O=S(=O)(c1ccc2nc(Nc3ccc(F)cc3Cl)ccc2c1)N1CCCCC1 ZINC000033250465 558919202 /nfs/dbraw/zinc/91/92/02/558919202.db2.gz YOFFWPLJWCIXAN-UHFFFAOYSA-N 0 0 419.909 4.946 50 0 HJAARN Cc1cc2nc(C(F)(F)F)c(=O)n([C@H](C)C(=O)Nc3ccccc3C)c2cc1C ZINC000033251135 558919737 /nfs/dbraw/zinc/91/97/37/558919737.db2.gz LKJDKYYPGCUKSY-CQSZACIVSA-N 0 0 403.404 4.540 50 0 HJAARN COc1ccc(N(C)C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1OC ZINC000058367039 558922275 /nfs/dbraw/zinc/92/22/75/558922275.db2.gz GMRCQOJZAOJYDW-UHFFFAOYSA-N 0 0 410.084 4.989 50 0 HJAARN Cc1ccc(C(=O)n2nc(NCc3cccs3)nc2NCc2cccs2)cc1 ZINC000004723827 558922795 /nfs/dbraw/zinc/92/27/95/558922795.db2.gz NGIAJJBOPOYBIV-UHFFFAOYSA-N 0 0 409.540 4.622 50 0 HJAARN O=S(=O)(c1ccc(Cl)nc1Cl)N(Cc1ccco1)c1ccc(F)cc1 ZINC000058392324 558923587 /nfs/dbraw/zinc/92/35/87/558923587.db2.gz CIMRRFAHYINJNY-UHFFFAOYSA-N 0 0 401.246 4.516 50 0 HJAARN O=C(c1cccc(OCc2cn3ccccc3n2)c1)N1CCC[C@@H]1Cc1ccccc1 ZINC000058392220 558923589 /nfs/dbraw/zinc/92/35/89/558923589.db2.gz VDLBIWPDOHKJLG-HSZRJFAPSA-N 0 0 411.505 4.761 50 0 HJAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Nc2ccc(-c3ccccc3)nn2)cc1 ZINC000033257026 558923916 /nfs/dbraw/zinc/92/39/16/558923916.db2.gz HCUNBLJSXXMWMO-UHFFFAOYSA-N 0 0 424.460 4.911 50 0 HJAARN Cc1ccc(NC(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cc3)CC2)cc1C ZINC000033258221 558924789 /nfs/dbraw/zinc/92/47/89/558924789.db2.gz AIZDUXJHWTUJPJ-UHFFFAOYSA-N 0 0 417.513 4.585 50 0 HJAARN Cc1ccc(NC(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cc3)CC2)c(C)c1 ZINC000033258238 558924826 /nfs/dbraw/zinc/92/48/26/558924826.db2.gz FXHALQUBSUCOIM-UHFFFAOYSA-N 0 0 417.513 4.585 50 0 HJAARN CSc1nnc(CN2CCCc3c(NC(=O)c4ccc(F)cc4)cccc32)s1 ZINC000058416060 558925301 /nfs/dbraw/zinc/92/53/01/558925301.db2.gz DPUWXWWFTATMDZ-UHFFFAOYSA-N 0 0 414.531 4.604 50 0 HJAARN CN1C(=O)c2ccc(NC(=O)c3ccccc3SCc3cccs3)cc2C1=O ZINC000058438216 558927192 /nfs/dbraw/zinc/92/71/92/558927192.db2.gz NRUBBIDUPHZAOC-UHFFFAOYSA-N 0 0 408.504 4.519 50 0 HJAARN COc1cc(/C=C/C(=O)Nc2ccnn2Cc2cccc(C)c2)ccc1OC(C)C ZINC000058725358 558929641 /nfs/dbraw/zinc/92/96/41/558929641.db2.gz GTHIFSXQDKLQJH-PKNBQFBNSA-N 0 0 405.498 4.688 50 0 HJAARN CCCN1c2ccccc2/C(=C/c2nc3ccccc3c(=O)n2-c2ccccc2)C1=O ZINC000004725799 558930665 /nfs/dbraw/zinc/93/06/65/558930665.db2.gz MOEAHTWABKCXKH-FXBPSFAMSA-N 0 0 407.473 4.683 50 0 HJAARN Cc1nn(C)c(C)c1CC(=O)Nc1nc(Cc2ccccc2)c(-c2ccccc2)s1 ZINC000058979867 558931262 /nfs/dbraw/zinc/93/12/62/558931262.db2.gz DXGAQVYGZFFVFN-UHFFFAOYSA-N 0 0 416.550 4.932 50 0 HJAARN Cc1nnc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCCC3)s1 ZINC000072402066 558937313 /nfs/dbraw/zinc/93/73/13/558937313.db2.gz LDXIUHLIMBAKNW-LJQANCHMSA-N 0 0 424.570 4.670 50 0 HJAARN CCOc1ccc([C@@H](CNC(=O)[C@H](CC)OCC)c2c[nH]c3ccccc32)cc1OC ZINC000060032204 558940288 /nfs/dbraw/zinc/94/02/88/558940288.db2.gz COPBLVUGOXFIHG-KNQAVFIVSA-N 0 0 424.541 4.638 50 0 HJAARN Cc1ccc(Cn2c(CCNC(=O)Nc3cc(C)ccc3C)nc3cccnc32)cc1 ZINC000033263721 558942936 /nfs/dbraw/zinc/94/29/36/558942936.db2.gz SDUFSFGOKOJLPC-UHFFFAOYSA-N 0 0 413.525 4.769 50 0 HJAARN CCCCc1[nH]c(SCC(=O)Nc2nc3ccc(OCC)cc3s2)nc1C ZINC000004632325 558944658 /nfs/dbraw/zinc/94/46/58/558944658.db2.gz JCFUETLQYGLVEY-UHFFFAOYSA-N 0 0 404.561 4.800 50 0 HJAARN O=C(NCc1ccc(OC(F)F)cc1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000019601136 558946307 /nfs/dbraw/zinc/94/63/07/558946307.db2.gz IUZKHJOLEXQGOO-UHFFFAOYSA-N 0 0 405.404 4.828 50 0 HJAARN Cc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[nH]c(=O)c32)c(C)c1 ZINC000021784269 558949626 /nfs/dbraw/zinc/94/96/26/558949626.db2.gz HPZPKSUGBJSMGL-QGZVFWFLSA-N 0 0 409.486 4.705 50 0 HJAARN Cc1ccc(-c2nnc(SCC(=O)Nc3nccs3)n2-c2ccccc2)cc1C ZINC000021805953 558951961 /nfs/dbraw/zinc/95/19/61/558951961.db2.gz QOUDVQRGAXOWTD-UHFFFAOYSA-N 0 0 421.551 4.738 50 0 HJAARN Cc1ccc(NC(=O)NCCCn2c3ncccc3nc2C(F)(F)F)c(Cl)c1 ZINC000033263830 558955759 /nfs/dbraw/zinc/95/57/59/558955759.db2.gz XHQVYGQZUAGTLA-UHFFFAOYSA-N 0 0 411.815 4.624 50 0 HJAARN Cc1ccc2c(=O)cc(CSCC(=O)Nc3ccc(F)c(Cl)c3)[nH]c2c1C ZINC000033064036 558956816 /nfs/dbraw/zinc/95/68/16/558956816.db2.gz CUESHVAZLMFMPL-UHFFFAOYSA-N 0 0 404.894 4.809 50 0 HJAARN CCCCN(CC)S(=O)(=O)c1cc(-c2nc(-c3ccccc3)no2)sc1C ZINC000064450479 558963593 /nfs/dbraw/zinc/96/35/93/558963593.db2.gz GTSSSKXLBYPPLU-UHFFFAOYSA-N 0 0 405.545 4.584 50 0 HJAARN O=S(=O)(c1ccc(Br)cc1)N1CCCCC[C@@H]1c1cccc(F)c1 ZINC000064983841 558968228 /nfs/dbraw/zinc/96/82/28/558968228.db2.gz XVCYFDVLOJJSEF-GOSISDBHSA-N 0 0 412.324 4.894 50 0 HJAARN COc1ccc(NC(=O)c2cnc3c(-c4cccc(C)c4)c(C)nn3c2C)cc1OC ZINC000021914300 558971407 /nfs/dbraw/zinc/97/14/07/558971407.db2.gz UDQUSBOGMAIAPI-UHFFFAOYSA-N 0 0 416.481 4.591 50 0 HJAARN COc1ccc(NC(=O)c2cnc3c(-c4cccc(C)c4)c(C)nn3c2C)c(OC)c1 ZINC000021914349 558971504 /nfs/dbraw/zinc/97/15/04/558971504.db2.gz LFVHOFKHDXVXKW-UHFFFAOYSA-N 0 0 416.481 4.591 50 0 HJAARN COc1ccc(NC(=O)NCCCn2c(-c3ccc(C)cc3)nc3cccnc32)cc1 ZINC000033263814 558977235 /nfs/dbraw/zinc/97/72/35/558977235.db2.gz UAIRPUKZLFJECO-UHFFFAOYSA-N 0 0 415.497 4.627 50 0 HJAARN Cc1csc2nc(CN(Cc3ccccc3)Cc3ccc(Cl)cc3)cc(=O)n12 ZINC000033068926 558977966 /nfs/dbraw/zinc/97/79/66/558977966.db2.gz XFESILQEGMFXGF-UHFFFAOYSA-N 0 0 409.942 4.920 50 0 HJAARN 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Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)c3cc(F)c(F)cc3F)CC2)cc1 ZINC000023331603 559170397 /nfs/dbraw/zinc/17/03/97/559170397.db2.gz OLJJTTSCUXXOAH-DEOSSOPVSA-N 0 0 424.466 4.960 50 0 HJAARN Cc1nn(-c2nc(C)c(C(=O)N3CCCC[C@H]3C)s2)c(C)c1Cc1ccccc1 ZINC000014608858 559170806 /nfs/dbraw/zinc/17/08/06/559170806.db2.gz WVAHSJFAMDSGCL-OAHLLOKOSA-N 0 0 408.571 4.859 50 0 HJAARN CCCN(CC1CC1)C(=O)CSc1nnc(-c2ccoc2C)n1-c1ccccc1 ZINC000004840895 559171380 /nfs/dbraw/zinc/17/13/80/559171380.db2.gz OWNSIQNQLCTUJC-UHFFFAOYSA-N 0 0 410.543 4.576 50 0 HJAARN COC(=O)c1ccccc1SCc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000023333000 559171648 /nfs/dbraw/zinc/17/16/48/559171648.db2.gz JWGTZRPSOMZZDD-UHFFFAOYSA-N 0 0 401.509 4.906 50 0 HJAARN CC(=O)O[C@@H](C(=O)N1CCc2ccccc2[C@@H]1c1ccccc1F)c1ccccc1 ZINC000023335526 559172239 /nfs/dbraw/zinc/17/22/39/559172239.db2.gz UHIPHMKUKNIUNB-DNQXCXABSA-N 0 0 403.453 4.604 50 0 HJAARN COc1cc(C(=O)N2CCc3ccccc3[C@H]2c2ccc(C)cc2)cc(OC)c1OC ZINC000023431614 559174408 /nfs/dbraw/zinc/17/44/08/559174408.db2.gz HUXCNDGKERLSFE-XMMPIXPASA-N 0 0 417.505 4.809 50 0 HJAARN Cc1ccc(CNC(=O)c2cnc3c(-c4cccc(C(F)(F)F)c4)cnn3c2C)o1 ZINC000023449397 559174613 /nfs/dbraw/zinc/17/46/13/559174613.db2.gz CEXPXBGYAFOGDX-UHFFFAOYSA-N 0 0 414.387 4.555 50 0 HJAARN COc1ccc(-c2nc3ccccc3c(=O)n2-c2cc(C)cc(C)c2)c(OC)c1OC ZINC000023444110 559175059 /nfs/dbraw/zinc/17/50/59/559175059.db2.gz IXDANESJZMEPOF-UHFFFAOYSA-N 0 0 416.477 4.695 50 0 HJAARN O=C(Nc1nnc(SCc2ccccc2)s1)c1cc(Br)cs1 ZINC000011690091 559178214 /nfs/dbraw/zinc/17/82/14/559178214.db2.gz FYHDDPLIFFJQAC-UHFFFAOYSA-N 0 0 412.359 4.907 50 0 HJAARN O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000220891466 559178658 /nfs/dbraw/zinc/17/86/58/559178658.db2.gz QZUHBQHZMKCJPC-KRWDZBQOSA-N 0 0 418.522 4.684 50 0 HJAARN CCOc1c(Br)cc(F)cc1NC(=O)Cc1c(F)cccc1Cl ZINC000023759410 559180994 /nfs/dbraw/zinc/18/09/94/559180994.db2.gz QHAUUQLMEFWCQT-UHFFFAOYSA-N 0 0 404.638 4.961 50 0 HJAARN O=C(Cc1csc(SCC(=O)c2cccs2)n1)Nc1ccc(F)c(F)c1 ZINC000011694982 559188552 /nfs/dbraw/zinc/18/85/52/559188552.db2.gz FUEGNOGGUQKDOV-UHFFFAOYSA-N 0 0 410.492 4.639 50 0 HJAARN CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000072403504 559190077 /nfs/dbraw/zinc/19/00/77/559190077.db2.gz TXHIXEPDUGQYFH-HOCLYGCPSA-N 0 0 400.346 4.579 50 0 HJAARN O=C(NCc1cccs1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 ZINC000004859769 559192786 /nfs/dbraw/zinc/19/27/86/559192786.db2.gz SQOWGZOEORXAOR-ZBFHGGJFSA-N 0 0 406.433 4.535 50 0 HJAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3[C@@H](C)CCC[C@@H]3C)ccc2C)cc1 ZINC000004863414 559193497 /nfs/dbraw/zinc/19/34/97/559193497.db2.gz FPYXHRIONRJIBX-ROUUACIJSA-N 0 0 400.544 4.507 50 0 HJAARN CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(C)C ZINC000004872644 559194660 /nfs/dbraw/zinc/19/46/60/559194660.db2.gz JUJZKJRUARUSDY-LJVXEDPOSA-N 0 0 410.602 4.824 50 0 HJAARN Cc1cccc(NC(=O)CSc2nc(-c3ccc(Br)cc3)c[nH]2)c1 ZINC000004873848 559194861 /nfs/dbraw/zinc/19/48/61/559194861.db2.gz VTNFBUHEEHBISB-UHFFFAOYSA-N 0 0 402.317 4.878 50 0 HJAARN Cc1ccc(-n2c(=O)c3c4c(sc3n(Cc3ccccc3F)c2=O)CCC4)cc1C ZINC000004877786 559195646 /nfs/dbraw/zinc/19/56/46/559195646.db2.gz ZWYDJQICYCMPLQ-UHFFFAOYSA-N 0 0 420.509 4.507 50 0 HJAARN Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2c(F)cccc2Cl)c(C)c1 ZINC000004878847 559195972 /nfs/dbraw/zinc/19/59/72/559195972.db2.gz QIJHMESSIGAHHT-LJQANCHMSA-N 0 0 411.868 4.615 50 0 HJAARN CCCCCSc1nc2n(n1)[C@H](c1ccc(C)cc1)C(C(=O)OCC)C(C)=N2 ZINC000004879276 559196061 /nfs/dbraw/zinc/19/60/61/559196061.db2.gz UYSPQZSVWWXDCF-GOSISDBHSA-N 0 0 400.548 4.721 50 0 HJAARN CCCCCSc1nc2n(n1)[C@@H](c1ccc(C)cc1)C(C(=O)OCC)C(C)=N2 ZINC000004879280 559196070 /nfs/dbraw/zinc/19/60/70/559196070.db2.gz UYSPQZSVWWXDCF-SFHVURJKSA-N 0 0 400.548 4.721 50 0 HJAARN Cc1sc2c(c1C)c(=O)n(-c1ccc(F)cc1)c(=O)n2Cc1ccccc1Cl ZINC000004882484 559197234 /nfs/dbraw/zinc/19/72/34/559197234.db2.gz AHQNTXPTQYFCPH-UHFFFAOYSA-N 0 0 414.889 4.672 50 0 HJAARN COc1ccc(C(=O)N2C(=S)C(c3ccc(C)cc3)=NC23CCCCC3)cc1OC ZINC000004891970 559198624 /nfs/dbraw/zinc/19/86/24/559198624.db2.gz ICZJLTNZMQYIIW-UHFFFAOYSA-N 0 0 422.550 4.945 50 0 HJAARN Cc1ccc(-c2noc(C3CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)n2)cc1 ZINC000004894229 559198729 /nfs/dbraw/zinc/19/87/29/559198729.db2.gz YPZBUBGRFMMHJY-UHFFFAOYSA-N 0 0 405.542 4.967 50 0 HJAARN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nncn1-c1ccccc1OC ZINC000004895049 559198821 /nfs/dbraw/zinc/19/88/21/559198821.db2.gz BPGWTMSQRAOJNM-CVEARBPZSA-N 0 0 410.543 4.909 50 0 HJAARN COc1ccccc1-n1cnnc1S[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000004894835 559198854 /nfs/dbraw/zinc/19/88/54/559198854.db2.gz KSWHQDGEHVEZDF-JOCHJYFZSA-N 0 0 401.491 4.992 50 0 HJAARN CCOc1ccccc1CN1C(=O)c2ccccc2[C@@H]1C(=O)NC1CCCCCC1 ZINC000004894367 559198859 /nfs/dbraw/zinc/19/88/59/559198859.db2.gz OVPYIGMWRIJHIX-HSZRJFAPSA-N 0 0 406.526 4.621 50 0 HJAARN COc1ccc(Cn2c(CCC(=O)Nc3ccc(Cl)cc3)nc3cccnc32)cc1 ZINC000004900976 559199642 /nfs/dbraw/zinc/19/96/42/559199642.db2.gz NQNFKDIXGBPCED-UHFFFAOYSA-N 0 0 420.900 4.713 50 0 HJAARN CCc1ccc(-n2c(=O)c3c4c(sc3n(Cc3ccccc3C)c2=O)CCC4)cc1 ZINC000004903684 559200248 /nfs/dbraw/zinc/20/02/48/559200248.db2.gz QWQHFAJXXMJMGK-UHFFFAOYSA-N 0 0 416.546 4.622 50 0 HJAARN COc1ccc2nc3oc(C(=O)Nc4cc(Cl)c(OC)cc4OC)cc3cc2c1 ZINC000004907346 559200700 /nfs/dbraw/zinc/20/07/00/559200700.db2.gz BOXUWBABVAKFNH-UHFFFAOYSA-N 0 0 412.829 4.913 50 0 HJAARN Cc1nn(C(C)(C)C)c(OC(=O)CCC2CCCC2)c1S(=O)(=O)c1ccccc1 ZINC000004907409 559200727 /nfs/dbraw/zinc/20/07/27/559200727.db2.gz QBQXEIHQFDENFG-UHFFFAOYSA-N 0 0 418.559 4.655 50 0 HJAARN COc1ccc2[nH]c(C)c(CCNC(=S)Nc3ccc(Br)cc3)c2c1 ZINC000004905553 559201721 /nfs/dbraw/zinc/20/17/21/559201721.db2.gz PMRMVSFCNVDTQG-UHFFFAOYSA-N 0 0 418.360 4.777 50 0 HJAARN COCCNC(=O)CSc1nc(-c2ccc(C)cc2)[nH]c1-c1ccc(Cl)cc1 ZINC000004927815 559208249 /nfs/dbraw/zinc/20/82/49/559208249.db2.gz YGQJZDKJMUWHKQ-UHFFFAOYSA-N 0 0 415.946 4.560 50 0 HJAARN CC[C@@H](C)N(CCC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)C(=O)C1CCC1 ZINC000004928063 559208277 /nfs/dbraw/zinc/20/82/77/559208277.db2.gz DUPYJWOMGKCYKR-CYBMUJFWSA-N 0 0 420.966 4.614 50 0 HJAARN Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)NCCC1=CCCCC1 ZINC000004935205 559210135 /nfs/dbraw/zinc/21/01/35/559210135.db2.gz DJSPEOJZWSZTPN-UHFFFAOYSA-N 0 0 402.542 4.952 50 0 HJAARN Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(C)c1CCC(=O)NCc1ccccc1 ZINC000004935469 559210322 /nfs/dbraw/zinc/21/03/22/559210322.db2.gz VAYBFEMZSUFEBR-UHFFFAOYSA-N 0 0 418.928 4.916 50 0 HJAARN Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)Nc1ccc(F)cc1 ZINC000004935545 559210378 /nfs/dbraw/zinc/21/03/78/559210378.db2.gz IUJBZVWXBZMJET-UHFFFAOYSA-N 0 0 406.436 4.863 50 0 HJAARN CSc1nc2n(n1)[C@H](c1cccc(Cl)c1)C(C(=O)Nc1ccccc1)=C(C)N2 ZINC000004933002 559210884 /nfs/dbraw/zinc/21/08/84/559210884.db2.gz XGVNDOLAIVMZMY-QGZVFWFLSA-N 0 0 411.918 4.581 50 0 HJAARN CCOc1ccc(/N=c2\oc3ccccc3cc2S(=O)(=O)c2ccccc2)cc1 ZINC000004937729 559211084 /nfs/dbraw/zinc/21/10/84/559211084.db2.gz LODAMPUNIDJWGY-VHXPQNKSSA-N 0 0 405.475 4.897 50 0 HJAARN COc1ccc(Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)cc1 ZINC000004937245 559212210 /nfs/dbraw/zinc/21/22/10/559212210.db2.gz WLYNHMNNANYQBQ-UHFFFAOYSA-N 0 0 405.400 4.568 50 0 HJAARN CCn1c2ccccc2c2cc(NC(=O)c3coc(=O)c(Br)c3)ccc21 ZINC000004955060 559216460 /nfs/dbraw/zinc/21/64/60/559216460.db2.gz DDIHSEVDUSGBGE-UHFFFAOYSA-N 0 0 411.255 4.782 50 0 HJAARN CCOC(=O)c1ccc(N[C@@H]2c3ccccc3C(=O)N2c2ccc(Cl)cn2)cc1 ZINC000004960644 559217416 /nfs/dbraw/zinc/21/74/16/559217416.db2.gz IXAPFJRSFHIWGI-FQEVSTJZSA-N 0 0 407.857 4.683 50 0 HJAARN CC(C)(C)C(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccccc3F)o2)cc1 ZINC000004961203 559217508 /nfs/dbraw/zinc/21/75/08/559217508.db2.gz UJGBCXVGFWRKFI-UHFFFAOYSA-N 0 0 413.474 4.835 50 0 HJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3c(s2)c2cc(C)ccc2nc3Cl)C1 ZINC000004961566 559217661 /nfs/dbraw/zinc/21/76/61/559217661.db2.gz XYLLYSZGLIEYGF-CYBMUJFWSA-N 0 0 416.930 4.827 50 0 HJAARN CCOC(=O)Cn1nc(-c2ccccc2)c2cnc3ccc(Br)cc3c21 ZINC000004970194 559219789 /nfs/dbraw/zinc/21/97/89/559219789.db2.gz IFSFYPHQFSTBSQ-UHFFFAOYSA-N 0 0 410.271 4.577 50 0 HJAARN CC(C)c1ccccc1-n1c(SCC(=O)c2ccc[nH]2)nc2ccccc2c1=O ZINC000004979696 559222661 /nfs/dbraw/zinc/22/26/61/559222661.db2.gz NIYKGMZYBZURSC-UHFFFAOYSA-N 0 0 403.507 4.812 50 0 HJAARN C[C@@H]1CCC[C@H](NC(=O)COc2ccc3c(c2)occ(-c2ccc(F)cc2)c3=O)[C@@H]1C ZINC000004979833 559222775 /nfs/dbraw/zinc/22/27/75/559222775.db2.gz IZTVWXJSZQAIMY-MCFFVMPBSA-N 0 0 423.484 4.919 50 0 HJAARN COc1ccc(C(=O)[C@H](C)Sc2nnc(COc3ccc(Cl)cc3)o2)cc1 ZINC000004987672 559224134 /nfs/dbraw/zinc/22/41/34/559224134.db2.gz REVROAYLKDTHTO-LBPRGKRZSA-N 0 0 404.875 4.674 50 0 HJAARN O=C1S/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N1CN1CCCCC1 ZINC000033672154 559227715 /nfs/dbraw/zinc/22/77/15/559227715.db2.gz MIEUGUIQMWTOAG-QNGOZBTKSA-N 0 0 408.523 4.745 50 0 HJAARN Brc1ccc(-c2onc3ccc(I)cc32)cc1 ZINC000005032113 559231343 /nfs/dbraw/zinc/23/13/43/559231343.db2.gz CTIUJPYZLRPHRG-UHFFFAOYSA-N 0 0 400.013 4.862 50 0 HJAARN CCc1ccc(-c2nc(CSCC(=O)NCc3ccccc3OC)c(C)o2)cc1 ZINC000005057580 559238029 /nfs/dbraw/zinc/23/80/29/559238029.db2.gz AKKVPWOIVHQYRR-UHFFFAOYSA-N 0 0 410.539 4.771 50 0 HJAARN O=S(=O)(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc2c(c1)CCCC2 ZINC000005084087 559242317 /nfs/dbraw/zinc/24/23/17/559242317.db2.gz MONIMOBYLSCPES-UHFFFAOYSA-N 0 0 409.536 4.742 50 0 HJAARN CCOc1ccc2nc(N3CCC[C@H](C(=O)Nc4ccc(F)cc4F)C3)sc2c1 ZINC000005086392 559242997 /nfs/dbraw/zinc/24/29/97/559242997.db2.gz BOJZAAZFNHYKBE-ZDUSSCGKSA-N 0 0 417.481 4.828 50 0 HJAARN CCOC(=O)c1c(NC(=S)Nc2ccc(OC(F)F)cc2)sc2c1CCC2 ZINC000005092023 559243896 /nfs/dbraw/zinc/24/38/96/559243896.db2.gz YKQITFCVOBSYGK-UHFFFAOYSA-N 0 0 412.483 4.824 50 0 HJAARN CC(C)C(=O)N1CCCc2cc(NC(=O)COc3ccc4ccccc4c3)ccc21 ZINC000005099446 559244633 /nfs/dbraw/zinc/24/46/33/559244633.db2.gz XNJBWEDPZPICTQ-UHFFFAOYSA-N 0 0 402.494 4.793 50 0 HJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)CCCN2C(=O)C1CC1 ZINC000005099290 559244679 /nfs/dbraw/zinc/24/46/79/559244679.db2.gz CXZUXWSVMIWOSN-UHFFFAOYSA-N 0 0 419.308 4.700 50 0 HJAARN CC[C@@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)CC(C)(C)C ZINC000005095917 559245123 /nfs/dbraw/zinc/24/51/23/559245123.db2.gz KLEFLZWTOYWMBE-HXUWFJFHSA-N 0 0 412.574 4.914 50 0 HJAARN Cc1ccc(N2C[C@@H](NC(=O)N(Cc3ccccc3)Cc3ccccc3)CC2=O)cc1 ZINC000005123306 559247967 /nfs/dbraw/zinc/24/79/67/559247967.db2.gz HXDVDOQWVRHUOI-QHCPKHFHSA-N 0 0 413.521 4.512 50 0 HJAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1cccc(O)c1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409414132 559249734 /nfs/dbraw/zinc/24/97/34/559249734.db2.gz OSKZUQKOBQDBBK-NRFANRHFSA-N 0 0 401.466 4.778 50 0 HJAARN CCOc1ccc2nc(N3CCC(C(=O)NCc4ccccc4C)CC3)sc2c1 ZINC000005137102 559250029 /nfs/dbraw/zinc/25/00/29/559250029.db2.gz BMGWHNXJJMMSBF-UHFFFAOYSA-N 0 0 409.555 4.536 50 0 HJAARN CCOc1ccc2nc(N(Cc3cccnc3)C(=O)Cc3ccccc3)sc2c1 ZINC000005141996 559251850 /nfs/dbraw/zinc/25/18/50/559251850.db2.gz KBXGEWCBPZBEEP-UHFFFAOYSA-N 0 0 403.507 4.866 50 0 HJAARN O=C(NCCc1csc(-c2ccc(F)cc2)n1)c1ccccc1Br ZINC000005146280 559252582 /nfs/dbraw/zinc/25/25/82/559252582.db2.gz HCKLMMNNSPCYGV-UHFFFAOYSA-N 0 0 405.292 4.684 50 0 HJAARN O=C(/C=C/c1ccccc1)N(Cc1ccccc1)c1ccc(CC(=O)NC2CC2)cc1 ZINC000037555857 559255004 /nfs/dbraw/zinc/25/50/04/559255004.db2.gz HMIPXQJJOLTMOQ-QGOAFFKASA-N 0 0 410.517 4.754 50 0 HJAARN CCN(C)C(=O)c1cc2sc(Br)cc2n1Cc1ccc(OC)cc1 ZINC000037587552 559255502 /nfs/dbraw/zinc/25/55/02/559255502.db2.gz QCFIOFNLFFAXAJ-UHFFFAOYSA-N 0 0 407.333 4.614 50 0 HJAARN CCOc1ccc(-c2nc(-c3ccc(-c4ccc(OC)cc4)nc3OC)no2)cc1 ZINC000005156442 559258843 /nfs/dbraw/zinc/25/88/43/559258843.db2.gz XTAQTMRRHXQKEP-UHFFFAOYSA-N 0 0 403.438 4.882 50 0 HJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(=O)c(OCc2ccc(F)cc2)co1 ZINC000011856838 559262416 /nfs/dbraw/zinc/26/24/16/559262416.db2.gz SUFJQPQOSAIVDH-UHFFFAOYSA-N 0 0 423.318 4.509 50 0 HJAARN Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(Cl)c2)n1 ZINC000005157648 559264907 /nfs/dbraw/zinc/26/49/07/559264907.db2.gz KZKFAAPIFUQNGD-FQEVSTJZSA-N 0 0 402.837 4.900 50 0 HJAARN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H](c2ccccc2)C=C[C@H]3c2ccccc2)cc1 ZINC000248133684 559265149 /nfs/dbraw/zinc/26/51/49/559265149.db2.gz LXUKXGWYVAEBLK-CXSMSNRLSA-N 0 0 409.485 4.938 50 0 HJAARN COc1ccc(-c2cnnc(N3CCC[C@@H]3c3nc4cc(Cl)ccc4[nH]3)n2)cc1F ZINC000011936140 559268808 /nfs/dbraw/zinc/26/88/08/559268808.db2.gz VRTVFJHWEIUJGR-GOSISDBHSA-N 0 0 424.867 4.558 50 0 HJAARN O=C(c1ccc(Cl)cc1)N1NC(C(F)(F)F)=C[C@@]1(O)c1ccc(Cl)cc1 ZINC000000820289 559281086 /nfs/dbraw/zinc/28/10/86/559281086.db2.gz CHWCOMQDIHNLNM-MRXNPFEDSA-N 0 0 403.187 4.603 50 0 HJAARN CCOc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3C)o2)cc1 ZINC000005169779 559287364 /nfs/dbraw/zinc/28/73/64/559287364.db2.gz YRSQQVIQSIXWRI-UHFFFAOYSA-N 0 0 403.891 4.828 50 0 aggregator HJAARN CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)o2)cc1 ZINC000005170182 559287510 /nfs/dbraw/zinc/28/75/10/559287510.db2.gz YCMXYOYKZMNVPG-UONOGXRCSA-N 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O=C(CSc1nc(CC(=O)Nc2ccccc2)cs1)Nc1ccc(Cl)cc1 ZINC000008852430 560639935 /nfs/dbraw/zinc/63/99/35/560639935.db2.gz UZTWGTKXMCYCDI-UHFFFAOYSA-N 0 0 417.943 4.709 50 0 HJAARN CCOC(=O)[C@H](CC)Sc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(F)cc1 ZINC000017268653 560706455 /nfs/dbraw/zinc/70/64/55/560706455.db2.gz QLGICENLFVWQJC-IBGZPJMESA-N 0 0 424.501 4.989 50 0 HJAARN CCOC(=O)[C@@H](CC)Sc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(F)cc1 ZINC000017268651 560706495 /nfs/dbraw/zinc/70/64/95/560706495.db2.gz QLGICENLFVWQJC-LJQANCHMSA-N 0 0 424.501 4.989 50 0 HJAARN CC(C)(C)c1ccc(O)c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1 ZINC000017361165 560711842 /nfs/dbraw/zinc/71/18/42/560711842.db2.gz AIQCIZGMDSAIQZ-UHFFFAOYSA-N 0 0 424.522 4.743 50 0 HJAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc4c(c3)OCO4)C2=O)cc1C ZINC000017440290 560716459 /nfs/dbraw/zinc/71/64/59/560716459.db2.gz ZOTGZILUJKHCTL-FYJGNVAPSA-N 0 0 412.445 4.672 50 0 HJAARN Cc1ccc2c(CSc3nnc([C@@H]4COc5ccccc5O4)o3)cc(=O)oc2c1C ZINC000017658704 560721904 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CCn1c(SCC(=O)Nc2cccc(O)c2)nnc1-c1ccc(Cl)cc1Cl ZINC000009582907 560759590 /nfs/dbraw/zinc/75/95/90/560759590.db2.gz TYVHRNQARJXKGJ-UHFFFAOYSA-N 0 0 423.325 4.708 50 0 HJAARN Clc1ccc([C@H]2CC(c3ccc(Br)cc3)=Nc3nnnn32)c(Cl)c1 ZINC000100994694 560766267 /nfs/dbraw/zinc/76/62/67/560766267.db2.gz ZFRXWBAVTKMDCD-OAHLLOKOSA-N 0 0 423.101 4.798 50 0 HJAARN O=C(Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)CC(c1ccccc1)=N2)c1ccccc1 ZINC000100997905 560766309 /nfs/dbraw/zinc/76/63/09/560766309.db2.gz NQVOHPUDGQWGHI-OAQYLSRUSA-N 0 0 411.440 4.726 50 0 HJAARN CCN(CC)c1ccc(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1 ZINC000010626095 560770612 /nfs/dbraw/zinc/77/06/12/560770612.db2.gz KBALRJRPHJZHNZ-UHFFFAOYSA-N 0 0 407.514 4.519 50 0 HJAARN CCOC(=O)c1ccc(NCC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 ZINC000011038825 560771185 /nfs/dbraw/zinc/77/11/85/560771185.db2.gz NHZKUZZGALEQJY-UHFFFAOYSA-N 0 0 418.449 4.822 50 0 HJAARN Cc1ccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000018066301 560774512 /nfs/dbraw/zinc/77/45/12/560774512.db2.gz CVLPMAZXXKVYIN-BDTNDASRSA-N 0 0 418.880 4.700 50 0 HJAARN CC(C)C[C@@H]1[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2ON1c1ccccc1 ZINC000018098954 560775402 /nfs/dbraw/zinc/77/54/02/560775402.db2.gz VWOCTRMVELYDAU-ZLNRFVROSA-N 0 0 400.478 4.564 50 0 HJAARN CN(Cc1ccc(Br)s1)C(=O)c1cc(F)ccc1Br ZINC000018108167 560775836 /nfs/dbraw/zinc/77/58/36/560775836.db2.gz LTXXAXGJUHSFRE-UHFFFAOYSA-N 0 0 407.102 4.684 50 0 HJAARN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](N5CCC(C)CC5)C4=O)cc3)sc2c1 ZINC000018195415 560782358 /nfs/dbraw/zinc/78/23/58/560782358.db2.gz QWTJMGMRBVRYLJ-HXUWFJFHSA-N 0 0 419.550 4.636 50 0 HJAARN CC(=O)Nc1ccc(C2=NNC(=Nc3ccc(SC(F)F)cc3)SC2)cc1 ZINC000005689025 560784430 /nfs/dbraw/zinc/78/44/30/560784430.db2.gz SIQKCJYQSGXKNW-UHFFFAOYSA-N 0 0 406.483 4.879 50 0 HJAARN CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000018219519 560784534 /nfs/dbraw/zinc/78/45/34/560784534.db2.gz MGNFNSOBHGULMK-JTQLQIEISA-N 0 0 414.811 4.917 50 0 HJAARN COc1ccc(C(=O)Nc2c(=O)oc3ccccc3c2NC2CCCCC2)cc1OC ZINC000101096615 560785550 /nfs/dbraw/zinc/78/55/50/560785550.db2.gz AWRZKXDITPCIPN-UHFFFAOYSA-N 0 0 422.481 4.807 50 0 HJAARN O=S(=O)(c1ccccc1Br)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000012977914 560790024 /nfs/dbraw/zinc/79/00/24/560790024.db2.gz XEQMXWXOBVAWRB-UHFFFAOYSA-N 0 0 418.715 4.595 50 0 HJAARN COc1ccc(S(=O)(=O)c2cnc3ccc(OC)cc3c2Nc2ccccc2)cc1 ZINC000101555383 560797115 /nfs/dbraw/zinc/79/71/15/560797115.db2.gz YWCYICRXPIDKDR-UHFFFAOYSA-N 0 0 420.490 4.828 50 0 HJAARN CCCN1c2ccccc2[C@@H](Cc2nc3ccccc3c(=O)n2-c2cccc(C)c2)C1=O ZINC000101676521 560797924 /nfs/dbraw/zinc/79/79/24/560797924.db2.gz QARQHOZOWICWAT-JOCHJYFZSA-N 0 0 423.516 4.777 50 0 HJAARN CCc1ccccc1NCc1cc(=O)n2nc(-c3ccc(C(C)(C)C)cc3)nc2[nH]1 ZINC000101747876 560800239 /nfs/dbraw/zinc/80/02/39/560800239.db2.gz JQSHRWYZBDJRLO-UHFFFAOYSA-N 0 0 401.514 4.557 50 0 HJAARN Cc1ccc(NCc2cc(=O)n3nc(-c4ccc(C(C)(C)C)cc4)nc3[nH]2)cc1Cl ZINC000101747884 560800269 /nfs/dbraw/zinc/80/02/69/560800269.db2.gz XQYXEIYQYHJWND-UHFFFAOYSA-N 0 0 421.932 4.956 50 0 HJAARN CC(C)c1ccc(NC(=O)CN2c3ncccc3N=C(c3ccccc3)CC2=O)cc1 ZINC000101881995 560804464 /nfs/dbraw/zinc/80/44/64/560804464.db2.gz RQHVIJYYHDXKRW-UHFFFAOYSA-N 0 0 412.493 4.701 50 0 HJAARN CCOC(=O)N1CCN(S(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1 ZINC000005709652 560804895 /nfs/dbraw/zinc/80/48/95/560804895.db2.gz RPTKEJPTFYYXQM-UHFFFAOYSA-N 0 0 424.607 4.520 50 0 HJAARN Cc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccc(F)cc3)CC2=O)c(C)c1 ZINC000102529687 560813056 /nfs/dbraw/zinc/81/30/56/560813056.db2.gz LETYEZAYYMYUSC-UHFFFAOYSA-N 0 0 415.468 4.939 50 0 HJAARN C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000102528486 560816420 /nfs/dbraw/zinc/81/64/20/560816420.db2.gz XCDZWZPYDMEQGF-DEYYWGMASA-N 0 0 402.539 4.595 50 0 HJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102663108 560819358 /nfs/dbraw/zinc/81/93/58/560819358.db2.gz YTAVVOCPAQPSIP-PCCBWWKXSA-N 0 0 422.843 4.530 50 0 HJAARN COc1ccccc1CNc1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1Cl ZINC000051149534 560820084 /nfs/dbraw/zinc/82/00/84/560820084.db2.gz BTLCFOALYYDWGJ-UHFFFAOYSA-N 0 0 410.688 4.813 50 0 HJAARN Cc1c(Cl)cccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3cccs3)[C@@H]2C1=O ZINC000102724346 560821682 /nfs/dbraw/zinc/82/16/82/560821682.db2.gz BSNNENDIYSJYIY-XUVXKRRUSA-N 0 0 424.909 4.761 50 0 HJAARN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4Cl)[C@@H]3C2=O)cc1 ZINC000102733839 560822712 /nfs/dbraw/zinc/82/27/12/560822712.db2.gz CNTPOBMIWIPEHC-FDFHNCONSA-N 0 0 418.880 4.700 50 0 HJAARN COc1ccc(-c2csc(C3=C(N)N(Cc4ccccc4)CC3=O)n2)cc1OC ZINC000102719152 560823368 /nfs/dbraw/zinc/82/33/68/560823368.db2.gz UYVGNLIOIBFWKK-UHFFFAOYSA-N 0 0 407.495 4.589 50 0 HJAARN COc1cccc([C@H]2Nc3nonc3N=C3C[C@@H](c4cccs4)CC(=O)C32)c1OC ZINC000102740694 560823565 /nfs/dbraw/zinc/82/35/65/560823565.db2.gz LKOILKYLAUZILG-ADLMAVQZSA-N 0 0 424.482 4.777 50 0 HJAARN Cc1c([C@H](Nc2ccccn2)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000018324638 560825843 /nfs/dbraw/zinc/82/58/43/560825843.db2.gz HRSQQSTVOBXDHC-JOCHJYFZSA-N 0 0 404.901 4.734 50 0 HJAARN Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(Br)cc3F)CC2)c(C)c1 ZINC000024454274 560829659 /nfs/dbraw/zinc/82/96/59/560829659.db2.gz ZSPIGCIMOGCFSL-UHFFFAOYSA-N 0 0 418.306 4.940 50 0 HJAARN CSc1cccc(N[C@@H]2CC(=O)N(c3cc(C(F)(F)F)ccc3Cl)C2=O)c1 ZINC000103248746 560840473 /nfs/dbraw/zinc/84/04/73/560840473.db2.gz XUJXNAVOTXFJJG-CQSZACIVSA-N 0 0 414.836 4.825 50 0 HJAARN C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000103268232 560840551 /nfs/dbraw/zinc/84/05/51/560840551.db2.gz LSECTTZCWRMBDU-MXWKQRLJSA-N 0 0 420.888 4.672 50 0 HJAARN CC(=O)c1nn(-c2cccc(Cl)c2)cc1C(=O)c1ccc(Br)cc1 ZINC000005726436 560853973 /nfs/dbraw/zinc/85/39/73/560853973.db2.gz GGKPAKZCQVELAE-UHFFFAOYSA-N 0 0 403.663 4.722 50 0 HJAARN O=C(c1cc2cccc(Br)c2o1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000046747522 560858790 /nfs/dbraw/zinc/85/87/90/560858790.db2.gz NLORZLIMVZYCFZ-KRWDZBQOSA-N 0 0 404.235 4.548 50 0 HJAARN CC1=C(C)SC(=c2sc3n(c2=O)[C@@H](c2ccccc2)C2=C(CCCC2)N=3)S1 ZINC000051329945 560871744 /nfs/dbraw/zinc/87/17/44/560871744.db2.gz YAVDCNIYOZSTCH-KRWDZBQOSA-N 0 0 412.605 4.758 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)NCCn1c(-c2ccccc2)nc2cccnc21 ZINC000046913667 560878878 /nfs/dbraw/zinc/87/88/78/560878878.db2.gz LTJLMBNQDFRATC-UHFFFAOYSA-N 0 0 405.889 4.882 50 0 HJAARN CCCCOc1ccc(-c2cc(-c3nc(-c4ccc5c(c4)OCO5)no3)n[nH]2)cc1 ZINC000046913933 560879005 /nfs/dbraw/zinc/87/90/05/560879005.db2.gz IDXCEHHYRVFOBO-UHFFFAOYSA-N 0 0 404.426 4.701 50 0 HJAARN Cc1ccnn1C[C@H](C)CNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1 ZINC000020617504 560886051 /nfs/dbraw/zinc/88/60/51/560886051.db2.gz XXINHXXBJAQAFL-GOSISDBHSA-N 0 0 414.553 4.877 50 0 HJAARN O=C(CCCC(=O)OCC(Cl)=C(Cl)Cl)Nc1nc2ccccc2s1 ZINC000003105958 560886470 /nfs/dbraw/zinc/88/64/70/560886470.db2.gz SOHUZJBZZDMSDE-UHFFFAOYSA-N 0 0 407.706 4.834 50 0 HJAARN COc1cc(/C=C2\N=C(c3ccc(C(F)(F)F)cc3)OC2=O)ccc1OC(F)F ZINC000003326998 560887753 /nfs/dbraw/zinc/88/77/53/560887753.db2.gz VYEFZVZDJVVCJI-JYRVWZFOSA-N 0 0 413.298 4.660 50 0 HJAARN CC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](CNC(=O)c1cc(F)ccc1F)O2 ZINC000012040781 560887790 /nfs/dbraw/zinc/88/77/90/560887790.db2.gz HDNIEJYXJDLSNA-GOSISDBHSA-N 0 0 407.416 4.568 50 0 HJAARN CSc1ccccc1NC(=O)N1CCc2ccc(NC(=O)c3ccncc3)cc2C1 ZINC000012055776 560888030 /nfs/dbraw/zinc/88/80/30/560888030.db2.gz GQGVKZWGYLYENR-UHFFFAOYSA-N 0 0 418.522 4.646 50 0 HJAARN CCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 ZINC000012062730 560888125 /nfs/dbraw/zinc/88/81/25/560888125.db2.gz JHFRENWAYVPMFT-ZDUSSCGKSA-N 0 0 401.850 4.503 50 0 HJAARN Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)N2CCC(C)CC2)cc1 ZINC000012062334 560888304 /nfs/dbraw/zinc/88/83/04/560888304.db2.gz XDNYVIJJPMYZER-UHFFFAOYSA-N 0 0 423.582 4.774 50 0 HJAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(-n3cc[nH]c3=S)cc2)c1 ZINC000047536427 560891931 /nfs/dbraw/zinc/89/19/31/560891931.db2.gz VBPYWYJWECGJRT-LJQANCHMSA-N 0 0 409.511 4.529 50 0 HJAARN CCCOc1cc(Nc2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)nc(C)n1 ZINC000012225550 560894060 /nfs/dbraw/zinc/89/40/60/560894060.db2.gz ZTWNOQKQLKGEGC-UHFFFAOYSA-N 0 0 422.485 4.587 50 0 HJAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCC2)Nc1ccc(Cl)cc1F ZINC000005753598 568421175 /nfs/dbraw/zinc/42/11/75/568421175.db2.gz XUMSXYZEEQXBIV-UHFFFAOYSA-N 0 0 412.848 4.702 50 0 HJAARN CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)C(=C2CCCC2)C(=O)N3C)cc1 ZINC000045895145 568421345 /nfs/dbraw/zinc/42/13/45/568421345.db2.gz BMWLRSQOPFIBPW-UHFFFAOYSA-N 0 0 410.539 4.915 50 0 HJAARN O=C1C(=O)N(Cc2ccncc2)[C@@H](c2ccc(Br)cc2)C1c1ccccc1 ZINC000045942707 568422566 /nfs/dbraw/zinc/42/25/66/568422566.db2.gz IECJZJOESMXSMB-FQEVSTJZSA-N 0 0 421.294 4.897 50 0 HJAARN Cc1nn(-c2ccccc2)c2nc(OCC(=O)Nc3c(C)cccc3C)cc(C)c12 ZINC000046016903 568423636 /nfs/dbraw/zinc/42/36/36/568423636.db2.gz NYUVISDNWBLVDX-UHFFFAOYSA-N 0 0 400.482 4.672 50 0 HJAARN Cc1ccc(N(Cc2nc3nc(C)cc(C)n3n2)C(=O)c2cccc(Cl)c2)cc1 ZINC000046020648 568424077 /nfs/dbraw/zinc/42/40/77/568424077.db2.gz YDFHBFWMOAEHIQ-UHFFFAOYSA-N 0 0 405.889 4.550 50 0 HJAARN Cc1ccc(C(=O)N(Cc2nc3nc(C)cc(C)n3n2)c2ccc(Cl)cc2)cc1 ZINC000046020667 568424099 /nfs/dbraw/zinc/42/40/99/568424099.db2.gz AMAVYFWSCARLGQ-UHFFFAOYSA-N 0 0 405.889 4.550 50 0 HJAARN Cc1cccc(C)c1NC(=O)[C@H]1CCCN(C(=O)Cc2cccc3ccccc32)C1 ZINC000046045062 568425035 /nfs/dbraw/zinc/42/50/35/568425035.db2.gz WMZRPYUJEUHCBU-QFIPXVFZSA-N 0 0 400.522 4.876 50 0 HJAARN O=C(Cc1cccc2ccccc21)N1CCC[C@@H](C(=O)NCc2ccccc2Cl)C1 ZINC000046045025 568425087 /nfs/dbraw/zinc/42/50/87/568425087.db2.gz UWPMTGHQSMKGDJ-OAQYLSRUSA-N 0 0 420.940 4.591 50 0 HJAARN O=C(Cc1cccc2ccccc21)N1CCC[C@@H](C(=O)Nc2cccc(Cl)c2)C1 ZINC000046045019 568425099 /nfs/dbraw/zinc/42/50/99/568425099.db2.gz FIFANXKUYAJFRN-LJQANCHMSA-N 0 0 406.913 4.913 50 0 HJAARN CCOc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2C)cc1 ZINC000046056615 568425832 /nfs/dbraw/zinc/42/58/32/568425832.db2.gz SJAQPGRZGAPNLA-QGZVFWFLSA-N 0 0 423.900 4.850 50 0 HJAARN Cc1cccc(CN2CCCN(c3ccc(C(=O)N4CCCC[C@H]4C)cc3)C2=O)c1 ZINC000046079510 568427880 /nfs/dbraw/zinc/42/78/80/568427880.db2.gz WSWQEJQURLHZQO-HXUWFJFHSA-N 0 0 405.542 4.842 50 0 HJAARN CN(c1ccc(NC(=O)NC[C@H](O)c2ccc(F)cc2)cc1F)C1CCCCC1 ZINC000048237654 568433082 /nfs/dbraw/zinc/43/30/82/568433082.db2.gz AFFJPECNLHHQNJ-NRFANRHFSA-N 0 0 403.473 4.589 50 0 HJAARN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(Cc3ccccn3)C3CC3)c12 ZINC000048265732 568433934 /nfs/dbraw/zinc/43/39/34/568433934.db2.gz DOAFUAGMIGTFJW-UHFFFAOYSA-N 0 0 403.530 4.572 50 0 HJAARN CC(=O)Nc1cccc([C@@H](C)OC(=O)c2ccc(CNC(=O)c3cccs3)cc2)c1 ZINC000048309356 568436412 /nfs/dbraw/zinc/43/64/12/568436412.db2.gz MHULTSQGQRHQND-OAHLLOKOSA-N 0 0 422.506 4.555 50 0 HJAARN COc1cccc(Oc2ccc(CNC(=O)c3cc4ccc(F)cc4nc3C)cn2)c1 ZINC000048312271 568436620 /nfs/dbraw/zinc/43/66/20/568436620.db2.gz ADKCDLOKIFLVFQ-UHFFFAOYSA-N 0 0 417.440 4.808 50 0 HJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364545 568438265 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HJAARN O=C(/C=C/c1ccccc1)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccc(F)cc1 ZINC000002724707 568803671 /nfs/dbraw/zinc/80/36/71/568803671.db2.gz BGSCSJJRJILPAM-KSMYTKSHSA-N 0 0 404.416 4.548 50 0 HJAARN Fc1ccc(OCc2ccc(-c3nc4c5c6c(sc5ncn4n3)CCC6)o2)c(F)c1 ZINC000002788939 568809202 /nfs/dbraw/zinc/80/92/02/568809202.db2.gz YUQCIRYSNGVNAA-UHFFFAOYSA-N 0 0 424.432 4.945 50 0 HJAARN CCOC(=O)c1sc2ncn3nc([C@H]4C[C@@H]4c4ccc(Cl)cc4)nc3c2c1C ZINC000002791521 568809889 /nfs/dbraw/zinc/80/98/89/568809889.db2.gz RXVSFEPPDMBXRM-KGLIPLIRSA-N 0 0 412.902 4.749 50 0 HJAARN CCn1cc(Cl)c(CN(C)C(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)n1 ZINC000002799819 568810659 /nfs/dbraw/zinc/81/06/59/568810659.db2.gz RCPGJMBWQQYGNM-UHFFFAOYSA-N 0 0 413.692 4.790 50 0 HJAARN COc1cc(NC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)c(OC)cc1Cl ZINC000056560047 568812005 /nfs/dbraw/zinc/81/20/05/568812005.db2.gz NBAZVLQXODFWTC-GOSISDBHSA-N 0 0 411.285 4.616 50 0 HJAARN Cc1nc(CN2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)s3)CC2)cs1 ZINC000028959534 568813683 /nfs/dbraw/zinc/81/36/83/568813683.db2.gz NCAIBWDZCUVJGH-UHFFFAOYSA-N 0 0 417.987 4.791 50 0 HJAARN O=C(CSc1nc2ccsc2c(=O)n1CCc1ccccc1)c1ccccc1 ZINC000002908922 568815511 /nfs/dbraw/zinc/81/55/11/568815511.db2.gz FQGBEIWPDXSEDM-UHFFFAOYSA-N 0 0 406.532 4.676 50 0 HJAARN Cc1c(C(=O)Nc2ccc(C)cc2)sc2ncn(Cc3ccccc3F)c(=O)c12 ZINC000002910978 568815935 /nfs/dbraw/zinc/81/59/35/568815935.db2.gz FTZKTNSYNVXUQN-UHFFFAOYSA-N 0 0 407.470 4.515 50 0 HJAARN Fc1cccc(Cl)c1[C@@H]1C[C@@H](c2cccc(Br)c2)Nc2ncnn21 ZINC000002918462 568816656 /nfs/dbraw/zinc/81/66/56/568816656.db2.gz IPVFGCSRHWTELF-GJZGRUSLSA-N 0 0 407.674 4.979 50 0 HJAARN CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000257347977 568817584 /nfs/dbraw/zinc/81/75/84/568817584.db2.gz AELZDZIWKOZSSW-DKXQRPFASA-N 0 0 418.574 4.709 50 0 HJAARN CC(=O)O[C@@H](C)[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257349805 568817714 /nfs/dbraw/zinc/81/77/14/568817714.db2.gz 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ZINC000063160653 568825708 /nfs/dbraw/zinc/82/57/08/568825708.db2.gz KOLFIAOAVDACJF-UHFFFAOYSA-N 0 0 411.246 4.937 50 0 HJAARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccc3C)n2C)c(Cl)c1 ZINC000005859169 568826057 /nfs/dbraw/zinc/82/60/57/568826057.db2.gz SIRQCTHNSYYCJM-UHFFFAOYSA-N 0 0 400.935 4.792 50 0 HJAARN Cc1ccccc1-c1noc(C[C@H](c2ccccc2)N2C(=O)c3ccccc3C2=O)n1 ZINC000057354835 568827617 /nfs/dbraw/zinc/82/76/17/568827617.db2.gz SCKJMNHPZDDZAN-OAQYLSRUSA-N 0 0 409.445 4.625 50 0 HJAARN Cc1nnc(SCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)n1-c1cccc(C)c1 ZINC000005898651 568828786 /nfs/dbraw/zinc/82/87/86/568828786.db2.gz BGEULRNCUYQDJF-NSISKUIASA-N 0 0 401.576 4.980 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000057363145 568829085 /nfs/dbraw/zinc/82/90/85/568829085.db2.gz FCRXLAYKEIGZOU-UHFFFAOYSA-N 0 0 416.447 4.578 50 0 HJAARN CCOc1ccccc1-c1nc(C(=O)NC[C@@H]2CCCO2)cc2c3ccccc3[nH]c21 ZINC000005907530 568829257 /nfs/dbraw/zinc/82/92/57/568829257.db2.gz YBWUNJJLFXHCLN-INIZCTEOSA-N 0 0 415.493 4.691 50 0 biogenic HJAARN COc1ccc(Nc2nc(-c3cc4cccc(OC)c4oc3=O)cs2)cc1OC ZINC000002956152 568829689 /nfs/dbraw/zinc/82/96/89/568829689.db2.gz KZXPLGYSXBNZJE-UHFFFAOYSA-N 0 0 410.451 4.686 50 0 HJAARN O=C(Nc1ccc(F)cc1)[C@H](Sc1nc2ccccc2c(=O)[nH]1)c1ccccc1 ZINC000005932439 568830122 /nfs/dbraw/zinc/83/01/22/568830122.db2.gz ZBXGZRZTMDMPTC-LJQANCHMSA-N 0 0 405.454 4.534 50 0 HJAARN O=C(Nc1ccc(F)cc1)[C@@H](Sc1nc2ccccc2c(=O)[nH]1)c1ccccc1 ZINC000005932437 568830175 /nfs/dbraw/zinc/83/01/75/568830175.db2.gz ZBXGZRZTMDMPTC-IBGZPJMESA-N 0 0 405.454 4.534 50 0 HJAARN CN(c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)S(=O)(=O)c1ccccc1 ZINC000005934456 568830211 /nfs/dbraw/zinc/83/02/11/568830211.db2.gz FYIYKFIUVVVSEK-UHFFFAOYSA-N 0 0 408.401 4.718 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)[C@@H](C)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000005934677 568830479 /nfs/dbraw/zinc/83/04/79/568830479.db2.gz OURKGAKOCCAXAT-QGZVFWFLSA-N 0 0 403.482 4.663 50 0 HJAARN Cc1ccc([C@@H]2C(=O)N([C@@H]3CCC[C@H](C)[C@H]3C)CC(=O)N2Cc2ccccc2)cc1 ZINC000230076382 568831568 /nfs/dbraw/zinc/83/15/68/568831568.db2.gz LIJPPDTUPRTSDO-IWVMGURDSA-N 0 0 404.554 4.732 50 0 HJAARN CC(C)(C)C1CCC(C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000057400962 568832477 /nfs/dbraw/zinc/83/24/77/568832477.db2.gz QGHMFYFTICCQQM-UHFFFAOYSA-N 0 0 401.425 4.919 50 0 HJAARN COc1cc2c(cc1OC)[C@H](COc1cc(C)cc(C)c1)N(C(=O)c1ccco1)CC2 ZINC000002976744 568832524 /nfs/dbraw/zinc/83/25/24/568832524.db2.gz FJXFDXYSIAGWCN-NRFANRHFSA-N 0 0 421.493 4.732 50 0 HJAARN CCC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1COc1cccc(C(F)(F)F)c1 ZINC000002980233 568832976 /nfs/dbraw/zinc/83/29/76/568832976.db2.gz IJXIZEUASVPJQB-GOSISDBHSA-N 0 0 423.431 4.637 50 0 HJAARN Cc1ccc(N2CCN(C(=O)c3cc(-c4ccc(C(C)C)cc4)n[nH]3)C[C@@H]2C)cc1 ZINC000057413303 568833358 /nfs/dbraw/zinc/83/33/58/568833358.db2.gz OVYRKKZKRXGMRN-IBGZPJMESA-N 0 0 402.542 4.859 50 0 HJAARN CCCn1c(=O)c2sccc2nc1SCC(=O)Nc1c(C)cccc1Cl ZINC000057425311 568834662 /nfs/dbraw/zinc/83/46/62/568834662.db2.gz DKCOIHCCUUUHLC-UHFFFAOYSA-N 0 0 407.948 4.561 50 0 HJAARN COc1ccc(-c2nc3c(c(=S)[nH]2)Cc2cc(Br)ccc2O3)cc1 ZINC000006009111 568835142 /nfs/dbraw/zinc/83/51/42/568835142.db2.gz DJTQRFUCPDHEEY-UHFFFAOYSA-N 0 0 401.285 4.900 50 0 HJAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CC(C)C)c(Cl)c1 ZINC000057426236 568835168 /nfs/dbraw/zinc/83/51/68/568835168.db2.gz VOAQJKSJBVCEAA-UHFFFAOYSA-N 0 0 421.975 4.807 50 0 HJAARN CCOc1ccc(-n2c(=O)c3ccccc3nc2SCc2c(C)noc2C)cc1 ZINC000006035238 568836043 /nfs/dbraw/zinc/83/60/43/568836043.db2.gz JOPXNSDFSMQLAX-UHFFFAOYSA-N 0 0 407.495 4.682 50 0 HJAARN Cc1c2ccc(OS(=O)(=O)c3ccccc3)c(C)c2oc(=O)c1Cc1ccccc1 ZINC000002995281 568836403 /nfs/dbraw/zinc/83/64/03/568836403.db2.gz ZBSLJGUBHBFWIO-UHFFFAOYSA-N 0 0 420.486 4.768 50 0 HJAARN O=c1cc(-c2ccccc2)c2cc(Cl)c(OS(=O)(=O)c3ccccc3)cc2o1 ZINC000002995742 568836490 /nfs/dbraw/zinc/83/64/90/568836490.db2.gz DHCOLGXQYLTELT-UHFFFAOYSA-N 0 0 412.850 4.881 50 0 HJAARN CCc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)C(C)(C)C)cc1 ZINC000003006465 568837246 /nfs/dbraw/zinc/83/72/46/568837246.db2.gz BGVULMNIUWCCBZ-NRFANRHFSA-N 0 0 411.542 4.817 50 0 HJAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(-n2cccc2)cc1 ZINC000012484380 568838884 /nfs/dbraw/zinc/83/88/84/568838884.db2.gz VSNNFRQTWWIYMD-UHFFFAOYSA-N 0 0 416.308 4.885 50 0 HJAARN C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2)ccc1F ZINC000003022270 568840545 /nfs/dbraw/zinc/84/05/45/568840545.db2.gz BNTRMMQLFOPDBX-FZKQIMNGSA-N 0 0 424.925 4.588 50 0 HJAARN CCCCNC(=O)c1cccc(-n2ccnc2SCC(=O)c2ccccc2C)c1 ZINC000057486302 568842141 /nfs/dbraw/zinc/84/21/41/568842141.db2.gz GKZZWSGERJLWIK-UHFFFAOYSA-N 0 0 407.539 4.686 50 0 HJAARN O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)Nc1ccc(F)cc1F ZINC000057487261 568843005 /nfs/dbraw/zinc/84/30/05/568843005.db2.gz HDGLZLWKWHWUPL-UHFFFAOYSA-N 0 0 414.799 4.775 50 0 HJAARN Cc1cc(C)c(NC(=O)CS[C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)c(C)c1 ZINC000012528463 568843901 /nfs/dbraw/zinc/84/39/01/568843901.db2.gz GEMKOBJBGJCLEY-INIZCTEOSA-N 0 0 422.558 4.556 50 0 HJAARN Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)NC3CCCCCC3)ccc2F)c1 ZINC000003031141 568844580 /nfs/dbraw/zinc/84/45/80/568844580.db2.gz USBWOGOYBFLONQ-UHFFFAOYSA-N 0 0 418.534 4.696 50 0 HJAARN Cc1nn(Cc2cccc3ccccc32)c(Cl)c1[C@@H]1Nc2ccccc2C(=O)N1 ZINC000012533693 568844781 /nfs/dbraw/zinc/84/47/81/568844781.db2.gz FZGYCSHINLLMRU-JOCHJYFZSA-N 0 0 402.885 4.901 50 0 HJAARN CCCN(CCC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(C)cc(C)c2)c1 ZINC000003031612 568844938 /nfs/dbraw/zinc/84/49/38/568844938.db2.gz JRLAAKVQDOGNOK-UHFFFAOYSA-N 0 0 406.523 4.506 50 0 HJAARN Cc1nc2c(C(=O)NCc3ccc(F)cc3)cnn2c(C)c1Cc1ccccc1Cl ZINC000003033377 568845153 /nfs/dbraw/zinc/84/51/53/568845153.db2.gz DWFCCRHSVRGZKK-UHFFFAOYSA-N 0 0 422.891 4.659 50 0 HJAARN Cn1ccnc1[C@H](NC(=O)CSc1ccc(C(C)(C)C)cc1)c1ccccc1F ZINC000012535694 568845292 /nfs/dbraw/zinc/84/52/92/568845292.db2.gz XBXHNPVDBUPERM-OAQYLSRUSA-N 0 0 411.546 4.855 50 0 HJAARN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2ccccc2N2CCCC2)CC1=O ZINC000012537221 568845785 /nfs/dbraw/zinc/84/57/85/568845785.db2.gz YUDBKLFFMHXZFJ-MOPGFXCFSA-N 0 0 405.542 4.792 50 0 HJAARN O=C1CN(C2CCCCCC2)C(=O)[C@@H](c2ccc(F)cc2)N1CCc1ccccc1 ZINC000003038952 568846107 /nfs/dbraw/zinc/84/61/07/568846107.db2.gz ZYZSQQLXKCUBEG-XMMPIXPASA-N 0 0 408.517 4.503 50 0 HJAARN O=C1CN(C2CCCCCC2)C(=O)[C@H](c2ccc(F)cc2)N1CCc1ccccc1 ZINC000003038950 568846115 /nfs/dbraw/zinc/84/61/15/568846115.db2.gz ZYZSQQLXKCUBEG-DEOSSOPVSA-N 0 0 408.517 4.503 50 0 HJAARN O=C(CCSCc1cn2ccccc2n1)NC(c1ccccc1)c1ccccc1 ZINC000012539882 568847025 /nfs/dbraw/zinc/84/70/25/568847025.db2.gz XOIBHGSBGPRZAI-UHFFFAOYSA-N 0 0 401.535 4.863 50 0 HJAARN COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)Cc1cccc2ccccc21 ZINC000003238778 568847784 /nfs/dbraw/zinc/84/77/84/568847784.db2.gz UIUVZNGUNAKBDO-UHFFFAOYSA-N 0 0 405.494 4.870 50 0 HJAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2c1 ZINC000003242454 568847916 /nfs/dbraw/zinc/84/79/16/568847916.db2.gz BJTCDUQLSRFODJ-UHFFFAOYSA-N 0 0 408.504 4.619 50 0 HJAARN O=C(Nc1ccccc1Oc1ccccc1)c1cc2c(nc3ccccn3c2=O)s1 ZINC000003242410 568847929 /nfs/dbraw/zinc/84/79/29/568847929.db2.gz KANLQIWFKKYYCP-UHFFFAOYSA-N 0 0 413.458 4.954 50 0 HJAARN Cc1c(C(=O)N2CCC[C@H]2c2cccnc2)sc2nc(-c3ccco3)nc(C)c12 ZINC000012540563 568848285 /nfs/dbraw/zinc/84/82/85/568848285.db2.gz MBTKYKUJNXITMU-INIZCTEOSA-N 0 0 404.495 4.940 50 0 HJAARN CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)Nc3cccc(C)c3C)c(C)c2c1 ZINC000003047738 568849231 /nfs/dbraw/zinc/84/92/31/568849231.db2.gz KTOXGKMUCWYZFF-UHFFFAOYSA-N 0 0 414.527 4.641 50 0 HJAARN CC(=O)c1cccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000003049261 568849806 /nfs/dbraw/zinc/84/98/06/568849806.db2.gz CVDSDNSKDARWON-UHFFFAOYSA-N 0 0 411.323 4.728 50 0 HJAARN COC(=O)c1ccccc1SCC(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000003049222 568849821 /nfs/dbraw/zinc/84/98/21/568849821.db2.gz RWLGWYPGQFMBBG-UHFFFAOYSA-N 0 0 418.927 4.981 50 0 HJAARN CCCS(=O)(=O)Nc1cccc(C(=O)Nc2cccc(C3SCCS3)c2)c1 ZINC000012544853 568850017 /nfs/dbraw/zinc/85/00/17/568850017.db2.gz PGSOXJLVGPRTBR-UHFFFAOYSA-N 0 0 422.597 4.569 50 0 HJAARN Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccc(F)cc2Cl)c(=O)c1C ZINC000057528279 568851191 /nfs/dbraw/zinc/85/11/91/568851191.db2.gz BAQACLDOOVXCHB-UHFFFAOYSA-N 0 0 420.271 4.612 50 0 HJAARN COc1ccc([C@H](NC(=O)CCc2ccc(-c3ccccc3)o2)c2nccn2C)cc1 ZINC000012549994 568852371 /nfs/dbraw/zinc/85/23/71/568852371.db2.gz IQKQSCHCVLBFGD-DEOSSOPVSA-N 0 0 415.493 4.527 50 0 HJAARN CCCCn1c(SCC(=O)c2c(C)[nH]c3ccccc32)nc2ccccc2c1=O ZINC000003295919 568852662 /nfs/dbraw/zinc/85/26/62/568852662.db2.gz QUYCJQHQOOHZPZ-UHFFFAOYSA-N 0 0 405.523 4.961 50 0 HJAARN O=C(COC(=O)c1ccccc1OCCOc1ccccc1)c1cccc(Cl)c1 ZINC000003297685 568852685 /nfs/dbraw/zinc/85/26/85/568852685.db2.gz WRIGMGZTBSLBGA-UHFFFAOYSA-N 0 0 410.853 4.838 50 0 HJAARN CCOc1ccc(-c2nc(CSCC(=O)NCCc3ccccc3)c(C)o2)cc1 ZINC000003063467 568853003 /nfs/dbraw/zinc/85/30/03/568853003.db2.gz SMNLROLRLDZISW-UHFFFAOYSA-N 0 0 410.539 4.641 50 0 HJAARN Cc1noc(C)c1COc1ccc(CC(=O)Nc2nc3ccc(C)cc3s2)cc1 ZINC000003323282 568854572 /nfs/dbraw/zinc/85/45/72/568854572.db2.gz KLFMRVKMDHGJQZ-UHFFFAOYSA-N 0 0 407.495 4.970 50 0 HJAARN CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000057601020 568855029 /nfs/dbraw/zinc/85/50/29/568855029.db2.gz GVNYMOGGFSVKLF-UHFFFAOYSA-N 0 0 414.811 4.847 50 0 HJAARN Cc1nnc(S[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)n1Cc1ccccc1 ZINC000003332611 568855232 /nfs/dbraw/zinc/85/52/32/568855232.db2.gz OACXYRSYXANSRG-ZDUSSCGKSA-N 0 0 420.460 4.773 50 0 HJAARN C[C@H](c1nc(=O)c2c(-c3cccs3)csc2[nH]1)N1CCC[C@@H]1c1cccn1C ZINC000057611497 568855475 /nfs/dbraw/zinc/85/54/75/568855475.db2.gz YUQGDVFHHITOKI-CZUORRHYSA-N 0 0 410.568 4.950 50 0 HJAARN O=C(OCc1nc(=O)c2c3c(sc2[nH]1)CCCC3)c1c(Cl)cccc1Cl ZINC000003349572 568856356 /nfs/dbraw/zinc/85/63/56/568856356.db2.gz XONMLTOAOHHQJX-UHFFFAOYSA-N 0 0 409.294 4.527 50 0 HJAARN CCOC(=O)c1oc2ccccc2c1CSCC(=O)N1c2ccccc2C[C@H]1C ZINC000003355918 568857050 /nfs/dbraw/zinc/85/70/50/568857050.db2.gz AAZXBWVUZSTCSQ-OAHLLOKOSA-N 0 0 409.507 4.821 50 0 HJAARN COc1cc(C)c(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1OC ZINC000012559996 568857267 /nfs/dbraw/zinc/85/72/67/568857267.db2.gz YVCXONUYTKQEPO-UHFFFAOYSA-N 0 0 407.495 4.570 50 0 HJAARN O=C(CNc1ccc2ccccc2c1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000057697336 568858362 /nfs/dbraw/zinc/85/83/62/568858362.db2.gz LGYYUXHYPRPBOG-QFIPXVFZSA-N 0 0 402.494 4.777 50 0 HJAARN O=C1OCC[C@@H]1Sc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccccc1 ZINC000003444545 568859740 /nfs/dbraw/zinc/85/97/40/568859740.db2.gz HTBGFHKVBSEUFQ-KRWDZBQOSA-N 0 0 420.515 4.522 50 0 HJAARN CC(C)CC(=O)N[C@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000003176753 568859869 /nfs/dbraw/zinc/85/98/69/568859869.db2.gz NJSOEEVRQVVWAC-LBPRGKRZSA-N 0 0 402.547 4.720 50 0 HJAARN c1ccc2c(c1)nc(-c1cccnc1)nc2N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000012568095 568860675 /nfs/dbraw/zinc/86/06/75/568860675.db2.gz UTKLRYXGIGJRRO-NRFANRHFSA-N 0 0 410.477 4.805 50 0 HJAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)Nc1ccc(N2CCCCCC2)cc1 ZINC000012568389 568860854 /nfs/dbraw/zinc/86/08/54/568860854.db2.gz PDZYLGWHCPNYQX-UHFFFAOYSA-N 0 0 407.543 4.583 50 0 HJAARN O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc21)Nc1c(F)cccc1F ZINC000003217019 568862801 /nfs/dbraw/zinc/86/28/01/568862801.db2.gz UDQQNGMXWUVZIT-UHFFFAOYSA-N 0 0 408.360 4.569 50 0 HJAARN CCCCC(=O)Oc1cc(C)c2oc(C=O)c(C(=O)OCC)c2c1Br ZINC000003219644 568863167 /nfs/dbraw/zinc/86/31/67/568863167.db2.gz SRRVFQKAJFUNBA-UHFFFAOYSA-N 0 0 411.248 4.589 50 0 HJAARN COc1cc(NC(=O)[C@@H](C)Sc2nccn2-c2ccc(C)cc2C)cc(OC)c1 ZINC000012578571 568863439 /nfs/dbraw/zinc/86/34/39/568863439.db2.gz JPELJWWBSQZZOX-MRXNPFEDSA-N 0 0 411.527 4.626 50 0 HJAARN CCOc1ccc([C@H]2c3cccn3CCN2C(=S)Nc2ccc(OC)cc2)cc1 ZINC000003582693 568863802 /nfs/dbraw/zinc/86/38/02/568863802.db2.gz HWHZFOAMILCMNK-QFIPXVFZSA-N 0 0 407.539 4.697 50 0 HJAARN CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1 ZINC000003224428 568863937 /nfs/dbraw/zinc/86/39/37/568863937.db2.gz INSJOOWLQCMSKO-MRXNPFEDSA-N 0 0 413.901 4.925 50 0 HJAARN CCN(c1ccc(NC(=O)Cc2ccc(NC(=O)c3cnoc3C)cc2)cc1)C(C)C ZINC000057866274 568864468 /nfs/dbraw/zinc/86/44/68/568864468.db2.gz DJNDKUQXSHGZIG-UHFFFAOYSA-N 0 0 420.513 4.651 50 0 HJAARN CCn1c2ccccc2c2cc(NC(=O)COC(=O)[C@@H](C)Oc3ccccc3)ccc21 ZINC000003229197 568864565 /nfs/dbraw/zinc/86/45/65/568864565.db2.gz CJIHSGVXTTZYDU-QGZVFWFLSA-N 0 0 416.477 4.764 50 0 HJAARN COP(=O)(OC)c1c(C)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1C ZINC000003233382 568865185 /nfs/dbraw/zinc/86/51/85/568865185.db2.gz AHASEYAQDYPZNA-UHFFFAOYSA-N 0 0 417.151 4.926 50 0 HJAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3ccc(F)cc3)N2C1=O ZINC000003636833 568865268 /nfs/dbraw/zinc/86/52/68/568865268.db2.gz KWUNAFNQJOCBHJ-UYAOXDASSA-N 0 0 424.497 4.608 50 0 HJAARN O=C(CSc1nc2ccccc2o1)Nc1nc2ccc(Br)cc2s1 ZINC000003235048 568865468 /nfs/dbraw/zinc/86/54/68/568865468.db2.gz OVTKOZRGWDPDID-UHFFFAOYSA-N 0 0 420.313 4.931 50 0 HJAARN Cc1ccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccc(O)cc2)nc1 ZINC000003655770 568866825 /nfs/dbraw/zinc/86/68/25/568866825.db2.gz DEDNYYHRDJSCDO-JOCHJYFZSA-N 0 0 412.445 4.569 50 0 HJAARN CCOc1ccc([C@H]2CCCN2Cn2ncn(-c3ccc(OC)cc3)c2=S)cc1 ZINC000012587403 568867466 /nfs/dbraw/zinc/86/74/66/568867466.db2.gz YPIFGYZYUDGZQY-OAQYLSRUSA-N 0 0 410.543 4.605 50 0 HJAARN COc1ccc(CN[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1OC ZINC000003250280 568867775 /nfs/dbraw/zinc/86/77/75/568867775.db2.gz ZKAJPSHBSAIWRR-XMMPIXPASA-N 0 0 404.510 4.790 50 0 HJAARN Cc1csc(=O)n1CCCC(=O)Nc1cc(-c2ccccc2)nc2ccccc21 ZINC000012590628 568868214 /nfs/dbraw/zinc/86/82/14/568868214.db2.gz ZRMWFJRVHWQKJJ-UHFFFAOYSA-N 0 0 403.507 4.852 50 0 HJAARN O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)Nc1ncc(Cl)cc1Cl ZINC000003256910 568868508 /nfs/dbraw/zinc/86/85/08/568868508.db2.gz HWRSSQYFTBMRIE-UHFFFAOYSA-N 0 0 415.276 4.780 50 0 HJAARN COc1cc(CN[C@@H](c2ccccc2)c2ccccn2)ccc1OCc1ccncc1 ZINC000030544727 568870381 /nfs/dbraw/zinc/87/03/81/568870381.db2.gz UMJIMTYNMSCTEB-SANMLTNESA-N 0 0 411.505 4.943 50 0 HJAARN O=S(=O)(Nc1ccc(C2=CSC3=NCCCN23)cc1)C1=Cc2ccccc2CC1 ZINC000012604518 568870542 /nfs/dbraw/zinc/87/05/42/568870542.db2.gz UWWFHCVIUISZSA-UHFFFAOYSA-N 0 0 423.563 4.523 50 0 HJAARN Nc1nc(CN[C@@H](c2ccccc2)c2ccc(Cl)cc2)nc(Nc2ccccc2)n1 ZINC000012607694 568871521 /nfs/dbraw/zinc/87/15/21/568871521.db2.gz IDRQDLUXNDSRHK-NRFANRHFSA-N 0 0 416.916 4.730 50 0 HJAARN CC[C@@H](NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccc(C)cc1 ZINC000015310154 568871826 /nfs/dbraw/zinc/87/18/26/568871826.db2.gz MMLOCJHQBNKCNH-FGZHOGPDSA-N 0 0 408.542 4.561 50 0 HJAARN Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc(C=O)cc2)c2ccccc2)cc1Cl ZINC000003283445 568872077 /nfs/dbraw/zinc/87/20/77/568872077.db2.gz ZYTKCPPYDSQBFJ-OAQYLSRUSA-N 0 0 407.853 4.998 50 0 HJAARN Cc1ccc(Nc2nnc(SCC(=O)Nc3cccnc3Cl)s2)cc1C ZINC000003288921 568872881 /nfs/dbraw/zinc/87/28/81/568872881.db2.gz DDTWWEXAZLJJJT-UHFFFAOYSA-N 0 0 405.936 4.678 50 0 HJAARN CCOc1ncccc1C(=O)OCC(=O)c1c2ccccc2n(C)c1-c1ccccc1 ZINC000003292690 568873947 /nfs/dbraw/zinc/87/39/47/568873947.db2.gz MGPKDMNWTMDGCX-UHFFFAOYSA-N 0 0 414.461 4.679 50 0 HJAARN CC(C)N(Cc1ccccc1)C(=O)COc1ncnc2c(Cl)cc(Cl)cc12 ZINC000003296873 568875274 /nfs/dbraw/zinc/87/52/74/568875274.db2.gz PLUFAYCBSPBSKT-UHFFFAOYSA-N 0 0 404.297 4.753 50 0 HJAARN COc1cc(C(=O)N[C@@H]2CCCc3ccccc32)ccc1OCc1c(C)noc1C ZINC000003302540 568876987 /nfs/dbraw/zinc/87/69/87/568876987.db2.gz JEMFYJAOHUASDU-OAQYLSRUSA-N 0 0 406.482 4.686 50 0 HJAARN CCOc1ccc(C(=O)CSc2nnc(-c3ccc(OC)cc3)n2C(C)C)cc1 ZINC000003308991 568877681 /nfs/dbraw/zinc/87/76/81/568877681.db2.gz DZJFNTYOXVOUFD-UHFFFAOYSA-N 0 0 411.527 4.908 50 0 HJAARN CC(=O)O[C@@H]1C=C2CC[C@H]3[C@H]4CC[C@](OC(C)=O)(C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000004025107 568877961 /nfs/dbraw/zinc/87/79/61/568877961.db2.gz JNZLFQBVNULBKB-YQHCMSGASA-N 0 0 416.558 4.772 50 0 biogenic HJAARN O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(OC(F)(F)F)cc1 ZINC000003323812 568880725 /nfs/dbraw/zinc/88/07/25/568880725.db2.gz CJGRVWXRPFZOPR-UHFFFAOYSA-N 0 0 422.384 4.732 50 0 HJAARN COc1ccc(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)c(OC)c1 ZINC000003325432 568881062 /nfs/dbraw/zinc/88/10/62/568881062.db2.gz JYGPOYQSHKKBKT-UHFFFAOYSA-N 0 0 405.479 4.870 50 0 HJAARN CC[C@H](C)Sc1nnc(Cn2c3ccccc3sc2=O)n1-c1ccccc1C ZINC000004062267 568881611 /nfs/dbraw/zinc/88/16/11/568881611.db2.gz VJGVRTRTBQBPIO-HNNXBMFYSA-N 0 0 410.568 4.891 50 0 HJAARN Cc1nn(Cc2ccc(Cl)cc2)c(=O)n1-c1ccc(OCc2ccccc2)cc1 ZINC000004072928 568882385 /nfs/dbraw/zinc/88/23/85/568882385.db2.gz KUXKUXXJPIZWIB-UHFFFAOYSA-N 0 0 405.885 4.623 50 0 HJAARN Cc1cc(C(=O)COc2ccc(-n3ccnc3)cc2)c(C)n1CCc1ccc(F)cc1 ZINC000012640528 568885365 /nfs/dbraw/zinc/88/53/65/568885365.db2.gz PDGSZJJUJJRHPL-UHFFFAOYSA-N 0 0 417.484 4.934 50 0 HJAARN Cc1cc2oc(=O)cc(CSc3nnc(-c4ccncc4)n3C)c2cc1C(C)C ZINC000003358505 568887356 /nfs/dbraw/zinc/88/73/56/568887356.db2.gz SJVCKBKMBQMFKL-UHFFFAOYSA-N 0 0 406.511 4.708 50 0 HJAARN O=C(CCNC(=O)c1ccccc1Cl)Oc1ccc(OCc2ccccc2)cc1 ZINC000003374739 568891084 /nfs/dbraw/zinc/89/10/84/568891084.db2.gz AHMJHBFCKMEXSD-UHFFFAOYSA-N 0 0 409.869 4.645 50 0 HJAARN CCn1c(SCC(=O)c2cc(C)n([C@@H](C)COC)c2C)nnc1-c1ccccc1 ZINC000003391656 568894570 /nfs/dbraw/zinc/89/45/70/568894570.db2.gz USCLICQLKKQTDS-INIZCTEOSA-N 0 0 412.559 4.566 50 0 HJAARN O=C(CSc1ccc2c(c1)OCCO2)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000003403254 568896765 /nfs/dbraw/zinc/89/67/65/568896765.db2.gz GTSXLJWILBWTBN-UHFFFAOYSA-N 0 0 420.462 4.590 50 0 HJAARN Cc1occc1-c1nnc(SCC(=O)N2CCc3ccccc32)n1-c1ccccc1 ZINC000003402893 568896793 /nfs/dbraw/zinc/89/67/93/568896793.db2.gz SXHFXDSQUOIJLM-UHFFFAOYSA-N 0 0 416.506 4.517 50 0 HJAARN COc1ccc(-n2c(=O)c3ccccc3nc2S[C@H]2CCCCC2=O)cc1Cl ZINC000003406381 568897243 /nfs/dbraw/zinc/89/72/43/568897243.db2.gz JNVUGCHFRBAMIC-IBGZPJMESA-N 0 0 414.914 4.652 50 0 HJAARN COc1cc([C@@H]2CC(=O)Oc3ccc4c(c32)OC(C)(C)CC4=O)ccc1OC(C)C ZINC000217604951 568897931 /nfs/dbraw/zinc/89/79/31/568897931.db2.gz CIOKHZATICVHPY-INIZCTEOSA-N 0 0 410.466 4.667 50 0 biogenic HJAARN CCN(C(=O)COC(=O)c1ccc(Br)cc1)c1cccc2ccccc21 ZINC000003417161 568899286 /nfs/dbraw/zinc/89/92/86/568899286.db2.gz OGYLOZWAOMVFPD-UHFFFAOYSA-N 0 0 412.283 4.812 50 0 HJAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000003423034 568900144 /nfs/dbraw/zinc/90/01/44/568900144.db2.gz NVYDOQSRGAJYOK-UHFFFAOYSA-N 0 0 419.230 4.902 50 0 HJAARN O=C(CSc1n[nH]c(-c2ccccc2Br)n1)c1ccc(Cl)s1 ZINC000003428521 568901041 /nfs/dbraw/zinc/90/10/41/568901041.db2.gz FDYUOXDUUNURGF-UHFFFAOYSA-N 0 0 414.737 4.924 50 0 HJAARN Cc1cc(C(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c(C)n1CCC(C)C ZINC000003442561 568904114 /nfs/dbraw/zinc/90/41/14/568904114.db2.gz IAJQADCECKGBRM-UHFFFAOYSA-N 0 0 419.451 4.706 50 0 HJAARN O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccccc1-c1ccccc1 ZINC000003467614 568907505 /nfs/dbraw/zinc/90/75/05/568907505.db2.gz MOLYCRALFAYRDR-UHFFFAOYSA-N 0 0 414.486 4.654 50 0 HJAARN O=C(Nc1cccc(Cl)c1)Oc1cc2sc(=O)oc2cc1Br ZINC000001242847 568908266 /nfs/dbraw/zinc/90/82/66/568908266.db2.gz LXUKWPWKINTZPY-UHFFFAOYSA-N 0 0 400.637 4.881 50 0 HJAARN O=C(Nc1ccccc1)N1CCC(C(=O)N(Cc2ccco2)Cc2cccs2)CC1 ZINC000003486592 568908815 /nfs/dbraw/zinc/90/88/15/568908815.db2.gz PJGPZSDFHANECM-UHFFFAOYSA-N 0 0 423.538 4.814 50 0 HJAARN COc1ccc(-c2noc([C@H]3CCCN3C(=O)c3ccc(F)c(Cl)c3)n2)cc1 ZINC000263615522 568910346 /nfs/dbraw/zinc/91/03/46/568910346.db2.gz CUPLNBOVVSZGKY-QGZVFWFLSA-N 0 0 401.825 4.515 50 0 HJAARN Cc1ccc([C@H]2Cn3nc(C(=O)Nc4ccc(C(F)(F)F)cc4)cc3CO2)cc1 ZINC000263615598 568910511 /nfs/dbraw/zinc/91/05/11/568910511.db2.gz DDFCDLSFTPIFTB-LJQANCHMSA-N 0 0 401.388 4.734 50 0 HJAARN CCOc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccc(C)c(C)c5)no4)cc3CO2)cc1 ZINC000263617340 568911408 /nfs/dbraw/zinc/91/14/08/568911408.db2.gz NGQQSUIBFQEDLM-QFIPXVFZSA-N 0 0 416.481 4.887 50 0 HJAARN COc1ccc([C@H]2Cn3cnc(-c4nc(-c5cccc(Cl)c5)no4)c3CO2)cc1 ZINC000263617911 568911636 /nfs/dbraw/zinc/91/16/36/568911636.db2.gz QJEWGPIGYBNWNR-GOSISDBHSA-N 0 0 408.845 4.534 50 0 HJAARN CCOc1cccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccc(C)cc3)OC4)n2)c1 ZINC000263619295 568912323 /nfs/dbraw/zinc/91/23/23/568912323.db2.gz XZDIYLJQESFVHF-OAQYLSRUSA-N 0 0 402.454 4.579 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc2n(n1)C[C@@H](c1ccc(F)cc1)OC2 ZINC000263619466 568912666 /nfs/dbraw/zinc/91/26/66/568912666.db2.gz YTJORAGQMNAXKM-SFHVURJKSA-N 0 0 405.351 4.565 50 0 HJAARN CC1(C)Cc2c(sc3ncn4nc(COc5cccc6ccccc65)nc4c23)CO1 ZINC000001300302 568913211 /nfs/dbraw/zinc/91/32/11/568913211.db2.gz WCXMWYHCRBNBPC-UHFFFAOYSA-N 0 0 416.506 4.923 50 0 HJAARN C[C@H]1CCc2nc3ccccc3c(C(=O)OCc3nnc(-c4cccs4)o3)c2C1 ZINC000003535919 568913629 /nfs/dbraw/zinc/91/36/29/568913629.db2.gz PMFUEXWBXBGGLH-ZDUSSCGKSA-N 0 0 405.479 4.828 50 0 HJAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc3ccccc32)c1 ZINC000003549101 568914548 /nfs/dbraw/zinc/91/45/48/568914548.db2.gz VAPGLMHLZPSXDZ-UHFFFAOYSA-N 0 0 416.930 4.776 50 0 HJAARN COc1ccccc1C(=O)Oc1ccc2cc(-c3nc4ccccc4o3)c(=O)oc2c1 ZINC000001321670 568914595 /nfs/dbraw/zinc/91/45/95/568914595.db2.gz MFBYBIVHJONRTK-UHFFFAOYSA-N 0 0 413.385 4.829 50 0 biogenic HJAARN C[C@@H](Sc1nnc(C(C)(C)C)o1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000059255970 568919757 /nfs/dbraw/zinc/91/97/57/568919757.db2.gz NOUUAUQIMCSFGV-SECBINFHSA-N 0 0 424.498 4.888 50 0 HJAARN Nc1c(C(=O)Nc2ccc(Br)cc2)sc(=S)n1-c1ccccc1 ZINC000003632865 568921352 /nfs/dbraw/zinc/92/13/52/568921352.db2.gz NXBVARZFHDHOKK-UHFFFAOYSA-N 0 0 406.330 4.865 50 0 HJAARN COc1ccc2c(c1)Cc1sc(NC(=O)c3ccc(Br)cc3)nc1-2 ZINC000003651701 568922675 /nfs/dbraw/zinc/92/26/75/568922675.db2.gz VTYFXILBKJQSMA-UHFFFAOYSA-N 0 0 401.285 4.738 50 0 HJAARN COc1ccc2c(c1)-c1nc(NC(=O)c3cc(Cl)ccc3OC)sc1CC2 ZINC000003651759 568922796 /nfs/dbraw/zinc/92/27/96/568922796.db2.gz LISGBPNEFPKBRT-UHFFFAOYSA-N 0 0 400.887 4.832 50 0 HJAARN COc1ccc(CS(=O)(=O)c2nc(-c3ccccc3)c(-c3ccccc3)n2C)cc1 ZINC000001388807 568923217 /nfs/dbraw/zinc/92/32/17/568923217.db2.gz FALUYTQSZAVABL-UHFFFAOYSA-N 0 0 418.518 4.737 50 0 HJAARN C[C@@H](NC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccc(Cl)cc1Cl ZINC000012734370 568923539 /nfs/dbraw/zinc/92/35/39/568923539.db2.gz IGLKUUKSRYDOHC-CQSZACIVSA-N 0 0 420.340 4.658 50 0 HJAARN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)COc1ccc2ccc(=O)oc2c1 ZINC000031335168 568924410 /nfs/dbraw/zinc/92/44/10/568924410.db2.gz YGQKRNACUZKGHC-LBPRGKRZSA-N 0 0 406.265 4.698 50 0 HJAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC(=O)Nc2ccccc21 ZINC000012736089 568924730 /nfs/dbraw/zinc/92/47/30/568924730.db2.gz ZTDBIHVMZJDFBQ-ZDUSSCGKSA-N 0 0 402.294 4.789 50 0 HJAARN COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)OC2(CCCCC2)CC4=O)cc1O ZINC000218042746 568924818 /nfs/dbraw/zinc/92/48/18/568924818.db2.gz VHPFFBMIWHFYAO-MRXNPFEDSA-N 0 0 408.450 4.510 50 0 biogenic HJAARN CC(=O)NCCc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3F)n2)cc1 ZINC000012735574 568924855 /nfs/dbraw/zinc/92/48/55/568924855.db2.gz DHSRSVDNMWKDTO-UHFFFAOYSA-N 0 0 417.893 4.534 50 0 HJAARN O=C(Nc1ccccc1C(=O)NC[C@H](c1ccco1)N1CCCCC1)c1cccs1 ZINC000012737109 568925678 /nfs/dbraw/zinc/92/56/78/568925678.db2.gz RURQQKABXTUVCQ-LJQANCHMSA-N 0 0 423.538 4.550 50 0 HJAARN O=C(NCc1ccccc1)c1cc(Cl)cn(Cc2c(Cl)cccc2Cl)c1=O ZINC000001400045 568926032 /nfs/dbraw/zinc/92/60/32/568926032.db2.gz INPMTYBPFXABRH-UHFFFAOYSA-N 0 0 421.711 4.787 50 0 HJAARN O=C(NCc1ccccc1)c1cc(Cl)c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000001396470 568926255 /nfs/dbraw/zinc/92/62/55/568926255.db2.gz QFWYOGGALUIFSI-UHFFFAOYSA-N 0 0 421.711 4.787 50 0 HJAARN COC(Cc1nnc(SCc2ccccc2)n1-c1cccc(C(F)(F)F)c1)OC ZINC000001402418 568927586 /nfs/dbraw/zinc/92/75/86/568927586.db2.gz KGTSFTGSSPQDJA-UHFFFAOYSA-N 0 0 423.460 4.740 50 0 HJAARN COc1ccc(-c2csc(-n3nc(-c4ccc(F)cc4)cc3NC(C)=O)n2)cc1 ZINC000001405139 568927717 /nfs/dbraw/zinc/92/77/17/568927717.db2.gz IEUJDCMVBISASC-UHFFFAOYSA-N 0 0 408.458 4.769 50 0 HJAARN COc1ccc(C(=O)C2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000012740314 568928559 /nfs/dbraw/zinc/92/85/59/568928559.db2.gz AKRBTXHYWMUHDV-UHFFFAOYSA-N 0 0 404.510 4.621 50 0 HJAARN NC(=O)c1ccc(NC(=O)CCc2c3cc(F)ccc3[nH]c2-c2ccc(F)cc2)cc1 ZINC000012746051 568931441 /nfs/dbraw/zinc/93/14/41/568931441.db2.gz CXKVCFDUVPNOAN-UHFFFAOYSA-N 0 0 419.431 4.783 50 0 HJAARN COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1NC(=O)c1cccnc1 ZINC000002747570 568931755 /nfs/dbraw/zinc/93/17/55/568931755.db2.gz OYKDXRNGRVPRTR-UHFFFAOYSA-N 0 0 416.264 4.902 50 0 HJAARN COc1cc(/C=C/[C@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)ccc1OC(C)C ZINC000004000156 568932081 /nfs/dbraw/zinc/93/20/81/568932081.db2.gz CZEILJCJDRMSLZ-PUHSMXRQSA-N 0 0 420.553 4.818 50 0 biogenic HJAARN Cc1nn(C)c(C)c1CC(=O)Nc1ccccc1Oc1ncc(Cl)cc1Cl ZINC000084012053 568933088 /nfs/dbraw/zinc/93/30/88/568933088.db2.gz XQKPHBLHNRMYKY-UHFFFAOYSA-N 0 0 405.285 4.712 50 0 HJAARN COc1ccccc1NC(=O)Cc1nc(-c2ccc(Br)cc2)cs1 ZINC000001415151 568933759 /nfs/dbraw/zinc/93/37/59/568933759.db2.gz XHXVNXWFXQAKTK-UHFFFAOYSA-N 0 0 403.301 4.762 50 0 HJAARN Cc1c(-c2cccc(NC(=O)c3cccc(Br)c3)c2)nc2ncccn12 ZINC000004033201 568934803 /nfs/dbraw/zinc/93/48/03/568934803.db2.gz MURDXRXPXXNXAS-UHFFFAOYSA-N 0 0 407.271 4.720 50 0 HJAARN CCOc1ccc2ccccc2c1C(=O)NCCc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000004032902 568934901 /nfs/dbraw/zinc/93/49/01/568934901.db2.gz GBAXZRLWOSDNNB-UHFFFAOYSA-N 0 0 414.505 4.669 50 0 HJAARN Cc1ccc2cc(CCNC(=S)Nc3ccc(Cl)c(Cl)c3)c(=O)[nH]c2c1 ZINC000004033710 568935179 /nfs/dbraw/zinc/93/51/79/568935179.db2.gz FGVRTMZJUKWRQD-UHFFFAOYSA-N 0 0 406.338 4.672 50 0 HJAARN Cc1ccc([C@@H](NC(=O)CCC(=O)Nc2ccc3c(c2)CCC3)c2ccncc2)cc1 ZINC000670456228 568936372 /nfs/dbraw/zinc/93/63/72/568936372.db2.gz FBFACIYITFFCGQ-AREMUKBSSA-N 0 0 413.521 4.503 50 0 HJAARN COc1ccc(OC)c([C@H]2c3cccn3CCN2C(=S)Nc2cccc(C)c2)c1 ZINC000004059446 568936906 /nfs/dbraw/zinc/93/69/06/568936906.db2.gz IIQBXIMPAIVUDQ-QFIPXVFZSA-N 0 0 407.539 4.616 50 0 HJAARN COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)CCc2ccccc2)c1 ZINC000004061073 568937152 /nfs/dbraw/zinc/93/71/52/568937152.db2.gz DXQNNXQSCIBPDV-HRNNMHKYSA-N 0 0 423.553 4.531 50 0 biogenic HJAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2cccc4ccccc42)C(=O)[C@]31C ZINC000004073577 568937924 /nfs/dbraw/zinc/93/79/24/568937924.db2.gz NTGHSRAAOAGTBW-VWLOTQADSA-N 0 0 411.461 4.570 50 0 biogenic HJAARN O=C(NCCc1ccccc1F)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F ZINC000025928337 568939162 /nfs/dbraw/zinc/93/91/62/568939162.db2.gz CHACPRZVKSQEFR-UHFFFAOYSA-N 0 0 411.786 4.656 50 0 HJAARN O=S(=O)(NC[C@H](Nc1ccc(F)cc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000001428847 568939505 /nfs/dbraw/zinc/93/95/05/568939505.db2.gz SGLQALGHWKZXNB-FQEVSTJZSA-N 0 0 404.894 4.611 50 0 HJAARN CC(=O)c1cccc(NC(=O)Cc2c(C)c3cc4c(cc3oc2=O)OC(C)(C)CC4)c1 ZINC000004089323 568941538 /nfs/dbraw/zinc/94/15/38/568941538.db2.gz PGWMSZVSFYVJJW-UHFFFAOYSA-N 0 0 419.477 4.589 50 0 biogenic HJAARN COc1ccc(OC)c(NC(=O)Cc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)c1 ZINC000004090026 568941862 /nfs/dbraw/zinc/94/18/62/568941862.db2.gz DHKQHGFZGKARCG-UHFFFAOYSA-N 0 0 421.449 4.663 50 0 biogenic HJAARN O=C(CC[C@@H]1Cc2ccccc2NC1=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012754751 568942521 /nfs/dbraw/zinc/94/25/21/568942521.db2.gz MSZVOLCPJJCRMY-MSOLQXFVSA-N 0 0 419.550 4.594 50 0 HJAARN CC[C@H](C)c1ccc(-c2csc(NC(=O)Cn3cnc4sccc4c3=O)n2)cc1 ZINC000012755961 568942935 /nfs/dbraw/zinc/94/29/35/568942935.db2.gz BZSJDBIJEOGEPQ-ZDUSSCGKSA-N 0 0 424.551 4.734 50 0 HJAARN CC(C)OCCSc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1 ZINC000012763660 568947079 /nfs/dbraw/zinc/94/70/79/568947079.db2.gz LGZXHNBYYPYESQ-UHFFFAOYSA-N 0 0 419.344 4.665 50 0 HJAARN CCOC(=O)c1[nH]c(C)c(C(=O)NCCC(c2ccccc2)c2ccccc2)c1C ZINC000004162875 568947599 /nfs/dbraw/zinc/94/75/99/568947599.db2.gz IKUOEJVFMZUPLU-UHFFFAOYSA-N 0 0 404.510 4.760 50 0 HJAARN O=C(c1csc(-c2ccc(Cl)s2)n1)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000084445408 568949261 /nfs/dbraw/zinc/94/92/61/568949261.db2.gz HENAJMSCFWJEFT-RYUDHWBXSA-N 0 0 415.005 4.652 50 0 HJAARN O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000012770136 568950563 /nfs/dbraw/zinc/95/05/63/568950563.db2.gz VDFVWTBOXZXCMN-OAQYLSRUSA-N 0 0 417.534 4.542 50 0 HJAARN Cc1nn(CC(=O)Nc2ccccc2SCc2ccsc2)c(=O)c2ccccc12 ZINC000012769958 568950624 /nfs/dbraw/zinc/95/06/24/568950624.db2.gz NEWDTMWSJFEKFM-UHFFFAOYSA-N 0 0 421.547 4.697 50 0 HJAARN O=S(=O)(CCSc1nnc(-c2ccccc2)c2ccccc21)c1ccccc1 ZINC000084559953 568951076 /nfs/dbraw/zinc/95/10/76/568951076.db2.gz KHUMXFJGOTYFBR-UHFFFAOYSA-N 0 0 406.532 4.863 50 0 HJAARN O=c1c(Cl)c(NCc2csc3ccccc23)cnn1-c1ccc(F)cc1F ZINC000084593162 568951911 /nfs/dbraw/zinc/95/19/11/568951911.db2.gz OBBDZYJCEYXCGW-UHFFFAOYSA-N 0 0 403.841 4.991 50 0 HJAARN C[C@@H](NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2)c1ccccc1 ZINC000004223204 568952486 /nfs/dbraw/zinc/95/24/86/568952486.db2.gz DBCALZNRLMASGI-MRRJBJDNSA-N 0 0 404.392 4.627 50 0 HJAARN O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)[C@@H]1COc2ccccc2O1 ZINC000004224319 568952489 /nfs/dbraw/zinc/95/24/89/568952489.db2.gz VCODYGBXEWLKMG-INIZCTEOSA-N 0 0 407.278 4.895 50 0 HJAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc4ccccc4c2)C[S@@](=O)C3)c(C)c1 ZINC000004224985 568952673 /nfs/dbraw/zinc/95/26/73/568952673.db2.gz PXYDZVBHIIPKRJ-PMERELPUSA-N 0 0 415.518 4.657 50 0 HJAARN CC(=O)c1ccc(O[C@@H](C)C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000012772506 568952821 /nfs/dbraw/zinc/95/28/21/568952821.db2.gz MAJVAHSVTRZBTH-INIZCTEOSA-N 0 0 408.523 4.672 50 0 HJAARN COc1ccc(-c2nn(CN3CCc4sccc4C3)c(=S)n2C(C)C)cc1 ZINC000012773870 568953207 /nfs/dbraw/zinc/95/32/07/568953207.db2.gz XGFKHYAUPSOUHJ-UHFFFAOYSA-N 0 0 400.573 4.748 50 0 HJAARN O=C(CSc1nccn1Cc1ccc(F)cc1)Nc1ccccc1C(F)(F)F ZINC000004248744 568953820 /nfs/dbraw/zinc/95/38/20/568953820.db2.gz BLRUBHDUOUYMAR-UHFFFAOYSA-N 0 0 409.408 4.820 50 0 HJAARN CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)N(C)Cc1cccc(O)c1 ZINC000084633093 568953840 /nfs/dbraw/zinc/95/38/40/568953840.db2.gz PYWDZZSMWWKHFV-UHFFFAOYSA-N 0 0 406.511 4.719 50 0 HJAARN COc1ccc(CC(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)cc1OC ZINC000012775754 568954456 /nfs/dbraw/zinc/95/44/56/568954456.db2.gz KSQYJVSLGSUCJB-OVALSLBJSA-N 0 0 413.517 4.660 50 0 HJAARN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1cnoc1-c1ccc(Cl)s1 ZINC000084651603 568954560 /nfs/dbraw/zinc/95/45/60/568954560.db2.gz DNEMLJZYJFPPRW-LBPRGKRZSA-N 0 0 410.948 4.653 50 0 HJAARN COc1ccc(-c2cn3nc(SCC(=O)Nc4ccc(C)cc4C)ccc3n2)cc1 ZINC000004251200 568955196 /nfs/dbraw/zinc/95/51/96/568955196.db2.gz BJBBHPUDQBFBGS-UHFFFAOYSA-N 0 0 418.522 4.753 50 0 HJAARN CC(C)c1noc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)n1 ZINC000012779245 568956678 /nfs/dbraw/zinc/95/66/78/568956678.db2.gz JDMILCMMELZQBM-UHFFFAOYSA-N 0 0 412.906 4.781 50 0 HJAARN CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3cccc(Br)c3)ccc12 ZINC000012780107 568956883 /nfs/dbraw/zinc/95/68/83/568956883.db2.gz UBMHNBLZPUSEFV-LBPRGKRZSA-N 0 0 416.271 4.524 50 0 HJAARN COc1cccc2sc(N(Cc3cccnc3)C(=O)/C=C/c3ccccc3)nc21 ZINC000004273232 568957659 /nfs/dbraw/zinc/95/76/59/568957659.db2.gz SALIKEXQEBQNPH-OUKQBFOZSA-N 0 0 401.491 4.947 50 0 HJAARN Cc1ccc(S(=O)(=O)c2nc(Cc3ccccc3)oc2N2CCCCCC2)cc1 ZINC000004275669 568958195 /nfs/dbraw/zinc/95/81/95/568958195.db2.gz RFYREMXMPJZTGF-UHFFFAOYSA-N 0 0 410.539 4.787 50 0 HJAARN O=C(COc1cccc(Oc2ccccn2)c1)Nc1ccccc1OC(F)(F)F ZINC000012782468 568958624 /nfs/dbraw/zinc/95/86/24/568958624.db2.gz ZDNQXCKMHJNLKQ-UHFFFAOYSA-N 0 0 404.344 4.790 50 0 HJAARN O=C(NCc1coc(-c2cccs2)n1)C1C[C@H]2CC[C@@H](C1)C21SCCS1 ZINC000012783441 568958906 /nfs/dbraw/zinc/95/89/06/568958906.db2.gz OHHNLNKEJMRZGY-AGUYFDCRSA-N 0 0 406.598 4.632 50 0 HJAARN COC(=O)c1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 ZINC000004284296 568958979 /nfs/dbraw/zinc/95/89/79/568958979.db2.gz GSMZXSMLWAGODB-UHFFFAOYSA-N 0 0 404.447 4.708 50 0 HJAARN O=C(N1CCS[C@H](c2ccc3c(c2)OCO3)CC1)C1(c2cccs2)CCCC1 ZINC000219212474 568961581 /nfs/dbraw/zinc/96/15/81/568961581.db2.gz OGHKARDNEJYYLZ-IBGZPJMESA-N 0 0 415.580 4.995 50 0 HJAARN Cc1ccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC23CCCCCC3)cc1C ZINC000004315195 568961589 /nfs/dbraw/zinc/96/15/89/568961589.db2.gz OXAFUVUEHPPVMS-UHFFFAOYSA-N 0 0 421.516 4.763 50 0 HJAARN CN(C(=O)c1sc2nc(N3CCCC3)c3c(c2c1N)CCCC3)c1ccccc1 ZINC000015670977 568961651 /nfs/dbraw/zinc/96/16/51/568961651.db2.gz PHLJLGCIFNIWDM-UHFFFAOYSA-N 0 0 406.555 4.634 50 0 HJAARN COc1ccccc1-n1nnc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1C ZINC000004316301 568962142 /nfs/dbraw/zinc/96/21/42/568962142.db2.gz XDGCTOJJOYKLGM-UHFFFAOYSA-N 0 0 400.438 4.629 50 0 HJAARN COc1ccccc1C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 ZINC000007981978 568963895 /nfs/dbraw/zinc/96/38/95/568963895.db2.gz XMFABGVVQSBLPY-UHFFFAOYSA-N 0 0 405.479 4.570 50 0 HJAARN Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@H](C)C3)c2)cc1C ZINC000007983357 568964008 /nfs/dbraw/zinc/96/40/08/568964008.db2.gz NWPOCPYEOGLPIQ-AWEZNQCLSA-N 0 0 420.962 4.630 50 0 HJAARN COc1ccc(-c2cc(C(=O)N[C@H](C)c3ccccn3)c3ccccc3n2)cc1OC ZINC000007985644 568964364 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/nfs/dbraw/zinc/04/50/16/569045016.db2.gz OKRPLSLQUZGUSF-UHFFFAOYSA-N 0 0 409.489 4.609 50 0 HJAARN CCc1ccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCCCC3)cc1 ZINC000006808685 569045955 /nfs/dbraw/zinc/04/59/55/569045955.db2.gz UTZDHZSPOZCULE-UHFFFAOYSA-N 0 0 403.526 4.570 50 0 HJAARN C[C@H](Sc1ncnc2cc(-c3ccc(F)cc3)sc21)C(=O)NCc1ccco1 ZINC000006364795 569045973 /nfs/dbraw/zinc/04/59/73/569045973.db2.gz MXVLPAHLNUPRMK-LBPRGKRZSA-N 0 0 413.499 4.887 50 0 HJAARN C[C@H](Sc1nccn1C)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000006369949 569046146 /nfs/dbraw/zinc/04/61/46/569046146.db2.gz RHCJUKFGWCRMBQ-SUMWQHHRSA-N 0 0 414.918 4.525 50 0 HJAARN COc1ccc(-c2nnc(NC(=O)c3ccccc3Oc3ccccc3)o2)c(OC)c1 ZINC000006381514 569046240 /nfs/dbraw/zinc/04/62/40/569046240.db2.gz SGYNMQWNCWNNTN-UHFFFAOYSA-N 0 0 417.421 4.798 50 0 HJAARN COC(=O)c1ccc(-c2nc3cccc(C)n3c2Nc2ccc(OC)c(OC)c2)cc1 ZINC000035622074 569046570 /nfs/dbraw/zinc/04/65/70/569046570.db2.gz DXSDSXBUYFOWGG-UHFFFAOYSA-N 0 0 417.465 4.857 50 0 HJAARN CC1CCN(C(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)CC1 ZINC000006395529 569046602 /nfs/dbraw/zinc/04/66/02/569046602.db2.gz UYDDDRNMARCHQJ-UHFFFAOYSA-N 0 0 404.539 4.556 50 0 HJAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2c(C)noc2C)cc1 ZINC000035671758 569048473 /nfs/dbraw/zinc/04/84/73/569048473.db2.gz METFILIGCYDCAT-UHFFFAOYSA-N 0 0 405.410 4.551 50 0 HJAARN CCc1ccc(NC(=O)c2sc3ncn(CCc4ccccc4)c(=O)c3c2C)cc1 ZINC000035672019 569048567 /nfs/dbraw/zinc/04/85/67/569048567.db2.gz QILIHLLZPFWDGQ-UHFFFAOYSA-N 0 0 417.534 4.824 50 0 HJAARN COc1ccc(-c2ccc3c(N)c(C(=O)c4ccc(F)cc4)sc3n2)cc1OC ZINC000035682596 569048985 /nfs/dbraw/zinc/04/89/85/569048985.db2.gz CGPOHGVNKUYIDW-UHFFFAOYSA-N 0 0 408.454 4.933 50 0 HJAARN Cc1c(-c2ccc(F)cc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1ccc(F)c(F)c1F ZINC000035685001 569050094 /nfs/dbraw/zinc/05/00/94/569050094.db2.gz UKMBBSQRNAKXAT-CQSZACIVSA-N 0 0 418.350 4.586 50 0 HJAARN O=c1c2ccccc2nc(SC(c2ccccc2)c2ccccc2)n1CCCO ZINC000013012774 569050614 /nfs/dbraw/zinc/05/06/14/569050614.db2.gz AMGIRTSZCMOJCG-UHFFFAOYSA-N 0 0 402.519 4.661 50 0 HJAARN Cc1ccc(S(=O)(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)s1 ZINC000013014813 569050786 /nfs/dbraw/zinc/05/07/86/569050786.db2.gz OCWPAFHOTQRHCO-MRXNPFEDSA-N 0 0 414.552 4.691 50 0 HJAARN CCc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(C)cc4)[C@@H]3C2=O)cc1 ZINC000136140432 569053619 /nfs/dbraw/zinc/05/36/19/569053619.db2.gz GRYBUPGQWXZFDB-KMDXXIMOSA-N 0 0 412.489 4.609 50 0 HJAARN CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)nnc1-c1ccc(Cl)cc1 ZINC000241897145 569054950 /nfs/dbraw/zinc/05/49/50/569054950.db2.gz TVZAKGCUDUBVNF-JJRVBVJISA-N 0 0 406.983 4.651 50 0 HJAARN C[C@]12CC3CC(C(=O)N4CCC[C@H]4c4nc(-c5ccccn5)no4)(C1)C[C@@](C)(C3)C2 ZINC000244872748 569055225 /nfs/dbraw/zinc/05/52/25/569055225.db2.gz WDRKOKUYGVEPAR-JLLLCXPKSA-N 0 0 406.530 4.792 50 0 HJAARN Cc1[nH]c2ccccc2c1[C@@H](c1cccnc1)N1CCN(c2ccccc2F)CC1 ZINC000054072943 569056966 /nfs/dbraw/zinc/05/69/66/569056966.db2.gz PJKAQXZXTABKHO-RUZDIDTESA-N 0 0 400.501 4.922 50 0 HJAARN CCc1nc(C)c([C@@H](C)N(C)C(=O)N[C@H](C)c2cnn(Cc3ccccc3)c2)s1 ZINC000089289882 569058061 /nfs/dbraw/zinc/05/80/61/569058061.db2.gz ROZNBPFFQPWVRW-NVXWUHKLSA-N 0 0 411.575 4.722 50 0 HJAARN C[C@H](CCC(=O)NCCO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253614907 569058294 /nfs/dbraw/zinc/05/82/94/569058294.db2.gz HENFUZBSUMHZKR-QWOBARJUSA-N 0 0 419.650 4.531 50 0 HJAARN CN(C(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)C1CCCCCCC1 ZINC000089334991 569058359 /nfs/dbraw/zinc/05/83/59/569058359.db2.gz GBODPKJZBRZHRC-UHFFFAOYSA-N 0 0 404.510 4.668 50 0 HJAARN O=C(COC(=O)c1ccccc1Br)Nc1cc(Cl)cc(Cl)c1 ZINC000001934468 569059814 /nfs/dbraw/zinc/05/98/14/569059814.db2.gz PNOYZYYZJQGALX-UHFFFAOYSA-N 0 0 403.059 4.551 50 0 HJAARN COc1ccc(-c2oc3ccc(C)cc3c(=O)c2OCC(=O)NC2CCCCC2)cc1 ZINC000001951743 569059974 /nfs/dbraw/zinc/05/99/74/569059974.db2.gz SKLGAGXZHWODPB-UHFFFAOYSA-N 0 0 421.493 4.605 50 0 HJAARN COC(=O)Cc1c(C)c2ccc(OCc3c(C)ccc4ccccc43)cc2oc1=O ZINC000001117451 569060239 /nfs/dbraw/zinc/06/02/39/569060239.db2.gz WCTDFNKYSPUSIO-UHFFFAOYSA-N 0 0 402.446 4.858 50 0 biogenic HJAARN Cc1cc(=O)oc2cc(OCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc12 ZINC000000938341 569060246 /nfs/dbraw/zinc/06/02/46/569060246.db2.gz WLLFRJVENUCCQN-UHFFFAOYSA-N 0 0 411.763 4.791 50 0 biogenic HJAARN COc1ccc(CN(CC[C@@H](c2ccco2)c2ccccc2OC)C(C)=O)cc1OC ZINC000001131840 569060319 /nfs/dbraw/zinc/06/03/19/569060319.db2.gz QPOWWZXKTJOZBE-OAQYLSRUSA-N 0 0 423.509 4.876 50 0 biogenic HJAARN Cc1cc(C)c(N2CCN(CC(=O)Nc3cc(Cl)ccc3Cl)CC2)c(C)c1 ZINC000054225089 569061324 /nfs/dbraw/zinc/06/13/24/569061324.db2.gz DOKLXLLQOFBMQZ-UHFFFAOYSA-N 0 0 406.357 4.679 50 0 HJAARN CC[C@@H](NC(=O)CSc1nc2ccccc2o1)c1ccc(Br)cc1 ZINC000006510119 569062044 /nfs/dbraw/zinc/06/20/44/569062044.db2.gz ISYFOKISQKEAAH-CQSZACIVSA-N 0 0 405.317 4.950 50 0 HJAARN CCOc1ccc(OCC)c(NC(=O)c2nc3cc(C)c(C)cc3nc2OCC)c1 ZINC000064438974 569062110 /nfs/dbraw/zinc/06/21/10/569062110.db2.gz QEVPSOONGUSHPZ-UHFFFAOYSA-N 0 0 409.486 4.695 50 0 HJAARN O=C(CN(Cc1ccc(F)c(F)c1)C1CC1)N1CCS[C@@H]1c1ccccc1Cl ZINC000035843655 569062398 /nfs/dbraw/zinc/06/23/98/569062398.db2.gz JEIUWERHESRAFA-OAQYLSRUSA-N 0 0 422.928 4.857 50 0 HJAARN CCCOc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2cccc(C)c2C)cc1 ZINC000064450218 569062767 /nfs/dbraw/zinc/06/27/67/569062767.db2.gz PJDNQSILFJQZBB-HXUWFJFHSA-N 0 0 417.509 4.895 50 0 HJAARN CCCC(=O)N1CCN(c2nc([C@@H](C)CC)nc3sc4c(c32)CC[C@@H](C)C4)CC1 ZINC000035865398 569063236 /nfs/dbraw/zinc/06/32/36/569063236.db2.gz LEUXQBJWGCFMGU-CVEARBPZSA-N 0 0 414.619 4.778 50 0 HJAARN CCCCCCC(=O)N1CCN(c2nc(C3CC3)nc3sc(C)c(C)c32)CC1 ZINC000035866691 569063334 /nfs/dbraw/zinc/06/33/34/569063334.db2.gz FAHVMCSXULBEMA-UHFFFAOYSA-N 0 0 400.592 4.805 50 0 HJAARN CC[C@H](C)NC(=O)Nc1c(N)n(-c2cc(F)ccc2F)nc1-c1ccc(Cl)cc1 ZINC000035868162 569063457 /nfs/dbraw/zinc/06/34/57/569063457.db2.gz PQABRNGLFUBWRA-NSHDSACASA-N 0 0 419.863 4.973 50 0 HJAARN Cc1ccccc1-c1noc(CSc2nnc(C3CC3)n2Cc2ccccc2)n1 ZINC000006531933 569064152 /nfs/dbraw/zinc/06/41/52/569064152.db2.gz ABJJEWVTFICESF-UHFFFAOYSA-N 0 0 403.511 4.855 50 0 HJAARN CC[C@@H]1Oc2ccc(NC(=O)CC(C)(C)C)cc2CN(Cc2ccc(OC)cc2)C1=O ZINC000035884923 569064575 /nfs/dbraw/zinc/06/45/75/569064575.db2.gz XBORMBRSSZHXJH-NRFANRHFSA-N 0 0 424.541 4.770 50 0 HJAARN O=C(Nc1cccc(Cl)c1)Nc1ccc2c(c1)CN(Cc1ccccc1)C(=O)CO2 ZINC000035886700 569064682 /nfs/dbraw/zinc/06/46/82/569064682.db2.gz STDTYZZOIVJHFE-UHFFFAOYSA-N 0 0 421.884 4.905 50 0 HJAARN COC[C@H](C)n1c(C)cc(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c1C ZINC000006549566 569064932 /nfs/dbraw/zinc/06/49/32/569064932.db2.gz CWNUXJZWVOPMRF-INIZCTEOSA-N 0 0 424.570 4.745 50 0 HJAARN COc1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)c2cccc(F)c2)cc1 ZINC000035926953 569066439 /nfs/dbraw/zinc/06/64/39/569066439.db2.gz UCNROIHTFJYUJP-QHCPKHFHSA-N 0 0 422.481 4.865 50 0 HJAARN Cc1ccc(COCc2nn(C)c3c2CN(C(=O)Nc2ccc(Cl)cc2)CC3)cc1 ZINC000064565868 569067110 /nfs/dbraw/zinc/06/71/10/569067110.db2.gz WLDPVDNILWPBON-UHFFFAOYSA-N 0 0 424.932 4.689 50 0 HJAARN CCC(=O)N(C)CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1Cl ZINC000035948279 569067489 /nfs/dbraw/zinc/06/74/89/569067489.db2.gz HXAZBOBJTJJCQO-IBGZPJMESA-N 0 0 418.324 4.540 50 0 HJAARN COC(=O)c1ccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccccc32)cc1 ZINC000064568419 569067554 /nfs/dbraw/zinc/06/75/54/569067554.db2.gz LLYYNMLLGJVNCS-UHFFFAOYSA-N 0 0 403.482 4.637 50 0 HJAARN COCCn1c(C)cc(C(=O)CSc2ncc(C(F)(F)F)cc2Cl)c1C ZINC000006582727 569067920 /nfs/dbraw/zinc/06/79/20/569067920.db2.gz QRKWPVOTMLFZQA-UHFFFAOYSA-N 0 0 406.857 4.794 50 0 HJAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1N(C)C)C(=O)c1ccc(Cl)cc1 ZINC000035970166 569069441 /nfs/dbraw/zinc/06/94/41/569069441.db2.gz VENMZSKZVQFGNH-UHFFFAOYSA-N 0 0 410.949 4.859 50 0 HJAARN CC(C)c1ccc(-n2ccn3c(SCc4cccc(Cl)c4)nnc3c2=O)cc1 ZINC000064593912 569069642 /nfs/dbraw/zinc/06/96/42/569069642.db2.gz UKMNFXSMTGWIMM-UHFFFAOYSA-N 0 0 410.930 4.949 50 0 HJAARN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)CNC(=O)Cc1cccc2ccccc21 ZINC000089558870 569070280 /nfs/dbraw/zinc/07/02/80/569070280.db2.gz UWZMZQIPONNZOZ-KRWDZBQOSA-N 0 0 423.582 4.606 50 0 HJAARN Cc1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)c2ccccc2n1 ZINC000089582914 569070577 /nfs/dbraw/zinc/07/05/77/569070577.db2.gz HVSBGHYXKKBDPO-OXJNMPFZSA-N 0 0 400.400 4.510 50 0 HJAARN COc1ccc(-c2c(C)oc3c(ccc4c3CN(CC(C)C)CO4)c2=O)cc1OC ZINC000054313669 569070748 /nfs/dbraw/zinc/07/07/48/569070748.db2.gz JGWJTFRGRGMPKY-UHFFFAOYSA-N 0 0 409.482 4.594 50 0 biogenic HJAARN O=C(COc1ccccc1Cc1ccccc1)NCCc1ccc(OC(F)F)cc1 ZINC000006604799 569071009 /nfs/dbraw/zinc/07/10/09/569071009.db2.gz WLTSYAHPLSCUDI-UHFFFAOYSA-N 0 0 411.448 4.617 50 0 HJAARN C[C@@H]1S[C@]2(C(=O)Nc3ccccc32)N(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000004619978 569071422 /nfs/dbraw/zinc/07/14/22/569071422.db2.gz UHUUJICAINTWHD-NPMXOYFQSA-N 0 0 402.475 4.752 50 0 HJAARN C[C@@H]1S[C@@]2(C(=O)Nc3ccccc32)N(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000004619983 569071446 /nfs/dbraw/zinc/07/14/46/569071446.db2.gz UHUUJICAINTWHD-WNSKOXEYSA-N 0 0 402.475 4.752 50 0 HJAARN Cc1cccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000006608858 569071759 /nfs/dbraw/zinc/07/17/59/569071759.db2.gz ILCYDZCWYHXVBC-HXUWFJFHSA-N 0 0 411.505 4.944 50 0 HJAARN CCCC(=O)Nc1ccc(C(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000006610705 569074210 /nfs/dbraw/zinc/07/42/10/569074210.db2.gz UZVJQAFNVNMWRV-UHFFFAOYSA-N 0 0 416.477 4.939 50 0 HJAARN Cn1cc(-c2nc(CSCc3cc(Cl)c4c(c3)OCCCO4)cs2)cn1 ZINC000064612349 569074443 /nfs/dbraw/zinc/07/44/43/569074443.db2.gz SJRTXKKDTWNKEU-UHFFFAOYSA-N 0 0 407.948 4.792 50 0 HJAARN COc1ccc(-c2cc(CN(Cc3ccco3)C(=O)c3ccccc3)no2)c(OC)c1 ZINC000036001793 569075226 /nfs/dbraw/zinc/07/52/26/569075226.db2.gz GKBIQGNEHFWWLI-UHFFFAOYSA-N 0 0 418.449 4.794 50 0 HJAARN COCCNC(=O)CCc1c(C)c2cc3c(cc2oc1=O)oc(C)c3-c1ccccc1 ZINC000006623895 569075351 /nfs/dbraw/zinc/07/53/51/569075351.db2.gz WOODBQSWXGWXPU-UHFFFAOYSA-N 0 0 419.477 4.518 50 0 biogenic HJAARN COC(=O)c1ccc(/C=C2/SC(=O)N(Cc3ccc4ccccc4c3)C2=O)cc1 ZINC000006626653 569075934 /nfs/dbraw/zinc/07/59/34/569075934.db2.gz QWSRCNGDMNHMRM-DEDYPNTBSA-N 0 0 403.459 4.863 50 0 HJAARN O=C1C[C@@H](c2cccc(Cl)c2)c2scc(S(=O)(=O)c3ccccc3)c2N1 ZINC000064656634 569076829 /nfs/dbraw/zinc/07/68/29/569076829.db2.gz LPULYMOIOZWAFU-HNNXBMFYSA-N 0 0 403.912 4.708 50 0 HJAARN O=C1C[C@@H](c2ccc(F)cc2Cl)c2scc(S(=O)(=O)c3ccccc3)c2N1 ZINC000064656678 569076949 /nfs/dbraw/zinc/07/69/49/569076949.db2.gz NAZUWQJTFPXVHP-AWEZNQCLSA-N 0 0 421.902 4.848 50 0 HJAARN COc1cc(-c2nnc(SCc3ccc(F)cc3Cl)o2)cc(OC)c1OC ZINC000006640317 569078010 /nfs/dbraw/zinc/07/80/10/569078010.db2.gz VAGVYFQHKHCYMJ-UHFFFAOYSA-N 0 0 410.854 4.847 50 0 HJAARN COc1ccc(/C=C/C(=O)N2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccccc2OC)cc1 ZINC000006642422 569078247 /nfs/dbraw/zinc/07/82/47/569078247.db2.gz GRPDIUHLLNROLW-GPLMOBQYSA-N 0 0 421.537 4.612 50 0 biogenic HJAARN CCOC(=O)c1ccc(OC(=O)c2cc3c(C)nn(-c4cccc(F)c4)c3s2)cc1 ZINC000064666339 569078338 /nfs/dbraw/zinc/07/83/38/569078338.db2.gz SJJQCNXTSHEABF-UHFFFAOYSA-N 0 0 424.453 4.930 50 0 HJAARN CCN1c2ccc(-c3noc(-c4ccncc4)n3)cc2Sc2ccccc2C1=O ZINC000064666793 569078471 /nfs/dbraw/zinc/07/84/71/569078471.db2.gz YILCIWXHJUFDIC-UHFFFAOYSA-N 0 0 400.463 4.930 50 0 HJAARN COc1ccc(-c2csc3c2ncn(Cc2ccc(C)cc2C)c3=O)cc1OC ZINC000064667669 569078582 /nfs/dbraw/zinc/07/85/82/569078582.db2.gz WFUXBWGTQRYAJK-UHFFFAOYSA-N 0 0 406.507 4.807 50 0 HJAARN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)c(C)n2C)sc1C ZINC000064668325 569078758 /nfs/dbraw/zinc/07/87/58/569078758.db2.gz FKLFNJJQQYILMD-UHFFFAOYSA-N 0 0 409.964 4.836 50 0 HJAARN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)c(C)n2C)sc1C ZINC000064668339 569078769 /nfs/dbraw/zinc/07/87/69/569078769.db2.gz QABNDGFNDGCELH-UHFFFAOYSA-N 0 0 413.927 4.667 50 0 HJAARN Cc1ccc(CNC(=O)C[C@@H]2COc3cc(C)ccc3N2Cc2ccccc2)cc1 ZINC000064663614 569079720 /nfs/dbraw/zinc/07/97/20/569079720.db2.gz OIVFEQSDFDLOFB-HSZRJFAPSA-N 0 0 400.522 4.778 50 0 HJAARN O=C(C[C@H]1COc2ccc(Cl)cc2N1Cc1ccc(F)cc1)NC1CCCC1 ZINC000064663700 569079742 /nfs/dbraw/zinc/07/97/42/569079742.db2.gz RONHDDQYNFMGSH-IBGZPJMESA-N 0 0 402.897 4.696 50 0 HJAARN Cc1ccc(N2C(=O)CC[C@@H](C(=O)NCc3ccccc3)[C@H]2c2cccs2)cc1 ZINC000006648782 569081285 /nfs/dbraw/zinc/08/12/85/569081285.db2.gz GKZNDLUYJYDUBS-OFNKIYASSA-N 0 0 404.535 4.857 50 0 HJAARN O=C(Nc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1Cl)c1cccs1 ZINC000006652372 569081826 /nfs/dbraw/zinc/08/18/26/569081826.db2.gz WPSNOSSXKLFKEN-UHFFFAOYSA-N 0 0 414.870 4.677 50 0 HJAARN CC(C)C(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)cc1)C(C)C ZINC000036044839 569081951 /nfs/dbraw/zinc/08/19/51/569081951.db2.gz GHCOUSZFXPUHKL-UHFFFAOYSA-N 0 0 422.504 4.510 50 0 HJAARN CC(C)NC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccccc2Cl)n1 ZINC000036064255 569085450 /nfs/dbraw/zinc/08/54/50/569085450.db2.gz QBFTYDAUTMJXGL-UHFFFAOYSA-N 0 0 415.896 4.808 50 0 HJAARN CC[C@H](C)N(Cc1nc(C(=O)NCc2ccco2)co1)Cc1cccc(Cl)c1 ZINC000036063795 569085619 /nfs/dbraw/zinc/08/56/19/569085619.db2.gz ULMXZCNOMGSUSU-HNNXBMFYSA-N 0 0 401.894 4.652 50 0 HJAARN CC[C@@H](C)N(Cc1nc(C(=O)NCc2cccnc2)co1)Cc1ccc(C(C)C)cc1 ZINC000036082631 569087037 /nfs/dbraw/zinc/08/70/37/569087037.db2.gz VCXJENLDOJPLDU-LJQANCHMSA-N 0 0 420.557 4.924 50 0 HJAARN Cc1ccc2[nH]c(-c3ccc4ccccc4n3)c(CCCC(=O)N3CCOCC3)c2c1 ZINC000006671842 569087045 /nfs/dbraw/zinc/08/70/45/569087045.db2.gz WPEULZIPEMVKMN-UHFFFAOYSA-N 0 0 413.521 4.873 50 0 HJAARN CC[C@H](C)N(Cc1nc(C(=O)NCc2cccnc2)co1)Cc1ccc(C(C)C)cc1 ZINC000036082632 569087071 /nfs/dbraw/zinc/08/70/71/569087071.db2.gz VCXJENLDOJPLDU-IBGZPJMESA-N 0 0 420.557 4.924 50 0 HJAARN CC1CCN(c2ccc(-c3noc(C(=O)NCCc4ccc(Cl)cc4)n3)cc2)CC1 ZINC000064746381 569088391 /nfs/dbraw/zinc/08/83/91/569088391.db2.gz VSILXESYIILXMU-UHFFFAOYSA-N 0 0 424.932 4.599 50 0 HJAARN O=C(NCc1ccccc1Cl)c1nc(-c2ccc(N3CCCCCC3)cc2)no1 ZINC000064746517 569088455 /nfs/dbraw/zinc/08/84/55/569088455.db2.gz OGMIPGAPFIFZMN-UHFFFAOYSA-N 0 0 410.905 4.700 50 0 HJAARN 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ZINC000064872061 569113508 /nfs/dbraw/zinc/11/35/08/569113508.db2.gz MYJARWATLCTGEG-UHFFFAOYSA-N 0 0 424.906 4.618 50 0 HJAARN CC(C)c1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000064871839 569113644 /nfs/dbraw/zinc/11/36/44/569113644.db2.gz LQDSCSHGNIBGAQ-UHFFFAOYSA-N 0 0 414.552 4.949 50 0 HJAARN CCc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(F)cc2)c1 ZINC000064872028 569113700 /nfs/dbraw/zinc/11/37/00/569113700.db2.gz DHMCOMVQURJDLH-UHFFFAOYSA-N 0 0 418.515 4.527 50 0 HJAARN Cc1cc[nH+]c([N-][C@@]2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCCC3)C2=O)c1 ZINC000006760707 569113994 /nfs/dbraw/zinc/11/39/94/569113994.db2.gz YFEVVXOECRDIAF-OAQYLSRUSA-N 0 0 416.447 4.682 50 0 HJAARN COc1ccc(/C=C2/SC(=N)NC2=O)cc1OCc1c(Cl)cccc1Cl ZINC000006761979 569114312 /nfs/dbraw/zinc/11/43/12/569114312.db2.gz GSRKXLUCVKZUKA-LZYBPNLTSA-N 0 0 409.294 4.720 50 0 HJAARN COc1ccc(NC(=O)NCc2c3c(sc2-n2cccc2)CCCC3)cc1OC ZINC000006768973 569116059 /nfs/dbraw/zinc/11/60/59/569116059.db2.gz ZRUJJPDEUZGSPO-UHFFFAOYSA-N 0 0 411.527 4.757 50 0 HJAARN COc1ccc(N(Cc2ccc(F)cc2F)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000036246249 569116493 /nfs/dbraw/zinc/11/64/93/569116493.db2.gz LHOSUZVVZQMDDT-UHFFFAOYSA-N 0 0 407.413 4.508 50 0 HJAARN COc1ccc(S(=O)(=O)N(Cc2ccccc2F)c2ccc(C)c(F)c2)cc1 ZINC000036247138 569116914 /nfs/dbraw/zinc/11/69/14/569116914.db2.gz ILZOEIMANJGZTA-UHFFFAOYSA-N 0 0 403.450 4.677 50 0 HJAARN COc1ccc(N([C@H](C)c2ccccc2F)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000036247777 569117096 /nfs/dbraw/zinc/11/70/96/569117096.db2.gz VMHWYDZEZNPOHX-MRXNPFEDSA-N 0 0 415.486 4.799 50 0 HJAARN COc1ccc(N([C@H](C)c2ccccc2)S(=O)(=O)c2ccccc2F)cc1OC ZINC000036247657 569117097 /nfs/dbraw/zinc/11/70/97/569117097.db2.gz SUNJQXNNXRJFOK-MRXNPFEDSA-N 0 0 415.486 4.799 50 0 HJAARN COc1ccc(N([C@@H](C)c2cccc(C)c2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000036247723 569117100 /nfs/dbraw/zinc/11/71/00/569117100.db2.gz TZRSIVGQNDPSCO-SFHVURJKSA-N 0 0 411.523 4.969 50 0 HJAARN COc1cc(OC)cc(N(Cc2ccc(C)cc2)S(=O)(=O)c2cccc(F)c2)c1 ZINC000036248058 569117255 /nfs/dbraw/zinc/11/72/55/569117255.db2.gz LSJBKMRFTKZDOX-UHFFFAOYSA-N 0 0 415.486 4.547 50 0 HJAARN COc1cc(OC)cc(N(Cc2ccccc2C)S(=O)(=O)c2cccc(F)c2)c1 ZINC000036248309 569117311 /nfs/dbraw/zinc/11/73/11/569117311.db2.gz VESAKLXHYYKQQX-UHFFFAOYSA-N 0 0 415.486 4.547 50 0 HJAARN O=C(NCCCSC1CCCCC1)c1ccc(C[S@](=O)c2ccccc2)o1 ZINC000006772079 569117360 /nfs/dbraw/zinc/11/73/60/569117360.db2.gz IHNYLFBRFQZNKW-HHHXNRCGSA-N 0 0 405.585 4.773 50 0 HJAARN COc1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(C)c(F)c2)cc1OC ZINC000036248462 569117578 /nfs/dbraw/zinc/11/75/78/569117578.db2.gz XHLVIULZWUWLFY-UHFFFAOYSA-N 0 0 415.486 4.547 50 0 HJAARN COc1cccc(CNC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2Cl)c1 ZINC000006772781 569118086 /nfs/dbraw/zinc/11/80/86/569118086.db2.gz LBXAEFXRBDFEBX-UHFFFAOYSA-N 0 0 420.900 4.629 50 0 HJAARN CC[C@@H](C)N(Cc1c(-c2ccccc2)noc1N1CCOCC1)C(=O)CC(C)(C)C ZINC000036249383 569118222 /nfs/dbraw/zinc/11/82/22/569118222.db2.gz RRBLRYCPZRGHAZ-GOSISDBHSA-N 0 0 413.562 4.742 50 0 HJAARN COc1cccc(CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000036248787 569118309 /nfs/dbraw/zinc/11/83/09/569118309.db2.gz MNSFAVRNFMBXAJ-UHFFFAOYSA-N 0 0 403.450 4.677 50 0 HJAARN CCOc1nc(-c2cccc(C(F)(F)F)c2)n(-c2cccc(NC(=O)CC)c2)n1 ZINC000006776637 569118772 /nfs/dbraw/zinc/11/87/72/569118772.db2.gz BIOHBQYQVMMBHZ-UHFFFAOYSA-N 0 0 404.392 4.700 50 0 HJAARN CC[C@@H](C)NC(=O)CCN(CCc1ccccc1)c1nc(C2CC2)nc2ccccc21 ZINC000006775231 569118815 /nfs/dbraw/zinc/11/88/15/569118815.db2.gz YVVZHIGRBRVRCT-LJQANCHMSA-N 0 0 416.569 4.861 50 0 HJAARN O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccco1 ZINC000006779429 569119371 /nfs/dbraw/zinc/11/93/71/569119371.db2.gz IREURKNOLLGDJA-KRWDZBQOSA-N 0 0 403.265 4.566 50 0 HJAARN Cc1c2cc(Br)ccc2oc1C(=O)OCC(=O)Nc1cccc(C)c1C ZINC000006790380 569124167 /nfs/dbraw/zinc/12/41/67/569124167.db2.gz MPJOKYCAMYYIAT-UHFFFAOYSA-N 0 0 416.271 4.916 50 0 HJAARN CCn1c2ccccc2nc1NC(=O)c1ccc(COc2cccc(OC)c2)cc1 ZINC000006785690 569121776 /nfs/dbraw/zinc/12/17/76/569121776.db2.gz SVGYSVKTFYUHSB-UHFFFAOYSA-N 0 0 401.466 4.896 50 0 HJAARN COc1ccc2c(CC(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)coc2c1 ZINC000006786746 569121869 /nfs/dbraw/zinc/12/18/69/569121869.db2.gz SBDDVUIMHQDPIM-UHFFFAOYSA-N 0 0 416.481 4.608 50 0 HJAARN CCOc1ccc(NC(=O)[C@H]2CCCN(c3ccnc(-c4ccc(F)cc4)n3)C2)cc1 ZINC000064928914 569123247 /nfs/dbraw/zinc/12/32/47/569123247.db2.gz LENMCBULMMNJNE-SFHVURJKSA-N 0 0 420.488 4.537 50 0 HJAARN O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN(c2ccnc(-c3ccccc3)n2)C1 ZINC000064929147 569123382 /nfs/dbraw/zinc/12/33/82/569123382.db2.gz MLROCFJUHNGYAZ-INIZCTEOSA-N 0 0 410.880 4.791 50 0 HJAARN Cc1cc(C)cc(NC(=O)[C@H]2CCCN(c3ccnc(-c4cccc(F)c4)n3)C2)c1 ZINC000064929046 569123437 /nfs/dbraw/zinc/12/34/37/569123437.db2.gz DUROBOOKRKRNEP-IBGZPJMESA-N 0 0 404.489 4.755 50 0 HJAARN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(c3ccnc(-c4ccccc4)n3)C2)cc1 ZINC000064929162 569123701 /nfs/dbraw/zinc/12/37/01/569123701.db2.gz BSXFAZIJGSXMGR-SIKLNZKXSA-N 0 0 400.526 4.546 50 0 HJAARN Cc1ccc(C)c(NC(=O)N2CCC[C@@H]2c2nnc(C(=O)Nc3ccccc3)s2)c1 ZINC000064930644 569124311 /nfs/dbraw/zinc/12/43/11/569124311.db2.gz NSEKLDCRQXVJRO-GOSISDBHSA-N 0 0 421.526 4.776 50 0 HJAARN CC(=O)c1cc2c(cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)OCO2 ZINC000036287578 569124647 /nfs/dbraw/zinc/12/46/47/569124647.db2.gz OTNRGNFCRNSBGS-UHFFFAOYSA-N 0 0 419.277 4.908 50 0 HJAARN O=C(CSCc1cnn(-c2ccccc2)c1-n1cccc1)Nc1ccc(F)cc1 ZINC000006796571 569125066 /nfs/dbraw/zinc/12/50/66/569125066.db2.gz WEKDKKNHYWOTSV-UHFFFAOYSA-N 0 0 406.486 4.674 50 0 HJAARN COc1ccc(Cn2c3ccccc3c(C[NH2+]Cc3ccc(C)cc3)c2C(=O)[O-])cc1 ZINC000006794023 569125463 /nfs/dbraw/zinc/12/54/63/569125463.db2.gz ISFNMGRIRNZNRY-UHFFFAOYSA-N 0 0 414.505 4.995 50 0 HJAARN CCOCCCNC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCCCCC1)O3 ZINC000006793876 569125481 /nfs/dbraw/zinc/12/54/81/569125481.db2.gz FHGOVYGBVPORHC-UHFFFAOYSA-N 0 0 413.514 4.956 50 0 biogenic HJAARN CCOc1ccc(CC[NH2+]Cc2c3ccc(C)cc3n(CC)c2C(=O)[O-])cc1OCC ZINC000006795367 569125747 /nfs/dbraw/zinc/12/57/47/569125747.db2.gz WLASZSZFCSMBKV-UHFFFAOYSA-N 0 0 424.541 4.798 50 0 HJAARN Cc1nn(CCCC(=O)NC[C@H](C)c2ccccc2)c(=O)c2c3ccccc3sc21 ZINC000006799438 569126423 /nfs/dbraw/zinc/12/64/23/569126423.db2.gz KBROVQQLSLGJDH-INIZCTEOSA-N 0 0 419.550 4.620 50 0 HJAARN Cc1cc(NC(=O)CCCn2sc3ccccc3c2=O)ccc1Br ZINC000006800172 569126979 /nfs/dbraw/zinc/12/69/79/569126979.db2.gz DNBLBNUBWCLHHW-UHFFFAOYSA-N 0 0 405.317 4.553 50 0 HJAARN Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cn2)cc1C ZINC000064942573 569127407 /nfs/dbraw/zinc/12/74/07/569127407.db2.gz XPRHDKLHAPCDQM-UHFFFAOYSA-N 0 0 408.523 4.907 50 0 HJAARN CCNC(=O)c1ccc(CSc2nc(-c3ccccc3)cc(N3CCCC3)n2)cc1 ZINC000006801821 569129497 /nfs/dbraw/zinc/12/94/97/569129497.db2.gz BBBLMEHMANXNEI-UHFFFAOYSA-N 0 0 418.566 4.786 50 0 HJAARN CSc1cccc(-n2nc(-c3nc(-c4ccccc4)no3)c3ccccc3c2=O)c1 ZINC000064950115 569129696 /nfs/dbraw/zinc/12/96/96/569129696.db2.gz RQMMYLXMJAAHMC-UHFFFAOYSA-N 0 0 412.474 4.825 50 0 HJAARN CCc1cc(N(CC)CC)nc(SCc2ccc(C(=O)NCc3ccco3)cc2)n1 ZINC000006802295 569129706 /nfs/dbraw/zinc/12/97/06/569129706.db2.gz RJQCXKBNZUPDHM-UHFFFAOYSA-N 0 0 424.570 4.701 50 0 HJAARN Cc1ccc(N(C)[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000006804171 569130799 /nfs/dbraw/zinc/13/07/99/569130799.db2.gz GUVVSRPTTKIVEM-QFIPXVFZSA-N 0 0 414.958 4.804 50 0 HJAARN CCOc1ccc(CC[NH2+]Cc2c(C)n(Cc3ccccc3F)c(C)c2C(=O)[O-])cc1 ZINC000006806748 569131094 /nfs/dbraw/zinc/13/10/94/569131094.db2.gz BKKUFUZDFZOAOW-UHFFFAOYSA-N 0 0 424.516 4.722 50 0 HJAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000006807723 569131960 /nfs/dbraw/zinc/13/19/60/569131960.db2.gz ULRBJBPUSSFIDB-INIZCTEOSA-N 0 0 420.900 4.657 50 0 HJAARN CC[C@@H](C(=O)Nc1ccccc1C)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000006807799 569132048 /nfs/dbraw/zinc/13/20/48/569132048.db2.gz MTRSSXXRJRPNLA-QFIPXVFZSA-N 0 0 414.509 4.702 50 0 HJAARN O=C(Nc1ccccc1F)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2 ZINC000006808458 569132553 /nfs/dbraw/zinc/13/25/53/569132553.db2.gz PHEFORAKKGAEMH-UHFFFAOYSA-N 0 0 407.875 4.747 50 0 HJAARN Cc1ccc(NC(=O)CCc2c(C)nc3c4c(nn3c2C)nc(C)cc4C)c(C)c1 ZINC000006808566 569133333 /nfs/dbraw/zinc/13/33/33/569133333.db2.gz FMZWTNAEVGKIMI-UHFFFAOYSA-N 0 0 401.514 4.699 50 0 HJAARN Cc1ccc(C2=NC3(CCCCCC3)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 ZINC000006808673 569133443 /nfs/dbraw/zinc/13/34/43/569133443.db2.gz MKKHYAYPGJLDRL-UHFFFAOYSA-N 0 0 417.553 4.932 50 0 HJAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc2cnn(Cc3ccc(F)cc3)c2c1 ZINC000064955830 569133688 /nfs/dbraw/zinc/13/36/88/569133688.db2.gz DBQDKBZYNBVDLT-GOSISDBHSA-N 0 0 401.485 4.975 50 0 HJAARN Cc1ccc(C(C)C)cc1OCc1nc2c3cnn(-c4cccc(F)c4)c3ncn2n1 ZINC000006810160 569133964 /nfs/dbraw/zinc/13/39/64/569133964.db2.gz QEJOADXQKNQFGL-UHFFFAOYSA-N 0 0 416.460 4.613 50 0 HJAARN COc1cccc(C(=O)Oc2cc3sc(=O)oc3c(-c3cccc(OC)c3)c2)c1 ZINC000006809720 569134623 /nfs/dbraw/zinc/13/46/23/569134623.db2.gz XQPVCNBVUKZTEJ-UHFFFAOYSA-N 0 0 408.431 4.758 50 0 HJAARN COc1cc(C(=O)N(Cc2ccco2)Cc2cccc(Cl)c2)cc(OC)c1OC ZINC000006810650 569135102 /nfs/dbraw/zinc/13/51/02/569135102.db2.gz LEUOGHHVTRAPFC-UHFFFAOYSA-N 0 0 415.873 4.801 50 0 HJAARN Cc1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@@H](c2ccccc2)CC3=O)cc1Cl ZINC000064959078 569135259 /nfs/dbraw/zinc/13/52/59/569135259.db2.gz RXBKFBNSBCTNMF-OAHLLOKOSA-N 0 0 406.869 4.502 50 0 HJAARN CCOC(=O)c1nc2onc(-c3ccc(F)cc3)c2c(Nc2ccccc2OCC)n1 ZINC000064960324 569135523 /nfs/dbraw/zinc/13/55/23/569135523.db2.gz ZWUBGSSBVAOJDZ-UHFFFAOYSA-N 0 0 422.416 4.743 50 0 HJAARN CCOC(=O)c1nc2onc(-c3ccc(F)cc3)c2c(Nc2cc(C)ccc2OC)n1 ZINC000064960329 569135532 /nfs/dbraw/zinc/13/55/32/569135532.db2.gz RCLZHFVJHLWCFI-UHFFFAOYSA-N 0 0 422.416 4.661 50 0 HJAARN CCOc1cccc2c1O[C@@H](c1ccc(OC)c(OC)c1)N1N=C(c3ccco3)C[C@@H]21 ZINC000169685686 569135620 /nfs/dbraw/zinc/13/56/20/569135620.db2.gz ZELCQWUTVKXZPG-UUOWRZLLSA-N 0 0 420.465 4.938 50 0 HJAARN COc1ccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2ccccc2)cc1OC ZINC000006818753 569139038 /nfs/dbraw/zinc/13/90/38/569139038.db2.gz OMWKWANVVHJZPY-UHFFFAOYSA-N 0 0 423.538 4.547 50 0 HJAARN Cc1csc2nc(COc3ccc(C)cc3NC(=O)c3cccc(C)c3)cc(=O)n12 ZINC000064976796 569139792 /nfs/dbraw/zinc/13/97/92/569139792.db2.gz YKUAHBSQOWGGFD-UHFFFAOYSA-N 0 0 419.506 4.513 50 0 HJAARN COc1ccc(-n2cc(C(=O)Oc3cccc(Cl)c3)c3ccccc3c2=O)cc1 ZINC000064977144 569140012 /nfs/dbraw/zinc/14/00/12/569140012.db2.gz BZWWJTQUAJDCAQ-UHFFFAOYSA-N 0 0 405.837 4.872 50 0 HJAARN Cc1ccc(-c2nnc3sc(NC(=O)c4ccc(C(C)(C)C)cc4)nn32)cc1F ZINC000064980473 569141352 /nfs/dbraw/zinc/14/13/52/569141352.db2.gz ALEMYIMAPURFMQ-UHFFFAOYSA-N 0 0 409.490 4.850 50 0 HJAARN COc1ccc(C2=NN(C(=O)CN3CCCCC3)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000036341015 569141752 /nfs/dbraw/zinc/14/17/52/569141752.db2.gz DWKBVTXIIZCPGL-JOCHJYFZSA-N 0 0 411.933 4.512 50 0 HJAARN CCOc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCCCC2)cc1 ZINC000036344123 569142509 /nfs/dbraw/zinc/14/25/09/569142509.db2.gz SDCMBWPYFLEVBL-RUZDIDTESA-N 0 0 419.569 4.866 50 0 HJAARN Cc1ccccc1[C@@H]1CC(c2ccc(F)cc2)=NN1C(=O)CN(C)Cc1ccccc1 ZINC000036344867 569142817 /nfs/dbraw/zinc/14/28/17/569142817.db2.gz MWFXNGVTFVOQSQ-VWLOTQADSA-N 0 0 415.512 4.944 50 0 HJAARN CC[C@@H](O)CN(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036346150 569143639 /nfs/dbraw/zinc/14/36/39/569143639.db2.gz XYRKBAAGZYHGMB-JOCHJYFZSA-N 0 0 423.557 4.501 50 0 HJAARN O=C(COc1ccccc1Cc1ccccc1)Nc1nc(-c2cccnc2)cs1 ZINC000006830356 569143977 /nfs/dbraw/zinc/14/39/77/569143977.db2.gz XMTIFTXDRNXPTC-UHFFFAOYSA-N 0 0 401.491 4.813 50 0 HJAARN COc1ccc([C@@H]2c3cccn3CCCN2Cc2ccc(C)cc2)c(OC)c1OC ZINC000036348520 569144580 /nfs/dbraw/zinc/14/45/80/569144580.db2.gz HOBHGKNDFYNDMH-HSZRJFAPSA-N 0 0 406.526 4.818 50 0 HJAARN CC(=O)c1cn(CC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)c2ccccc12 ZINC000064987045 569145195 /nfs/dbraw/zinc/14/51/95/569145195.db2.gz KUAYWMJSXSNXQN-VWLOTQADSA-N 0 0 420.509 4.519 50 0 HJAARN CC(C)C(=O)c1cn(CC(=O)N[C@H](C)c2ccc3c(c2)OCCCO3)c2ccccc12 ZINC000064987076 569145251 /nfs/dbraw/zinc/14/52/51/569145251.db2.gz HGCCARNLNKDTJE-QGZVFWFLSA-N 0 0 420.509 4.519 50 0 HJAARN c1ccc(OCCSc2nnc(-c3ccc4c(c3)OCCCO4)n2C2CC2)cc1 ZINC000064987154 569145307 /nfs/dbraw/zinc/14/53/07/569145307.db2.gz LZYIXDQKKKDVMF-UHFFFAOYSA-N 0 0 409.511 4.612 50 0 HJAARN CCOc1ccc(C(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)cc1 ZINC000064989889 569146226 /nfs/dbraw/zinc/14/62/26/569146226.db2.gz VMOIUMZHBUKWFO-SFHVURJKSA-N 0 0 414.505 4.607 50 0 HJAARN COc1ccc(C(=O)N2c3cc(CNC(=O)c4cccc(C)c4)ccc3C[C@@H]2C)cc1 ZINC000064990181 569146311 /nfs/dbraw/zinc/14/63/11/569146311.db2.gz NWHNKLFCKVMYSQ-SFHVURJKSA-N 0 0 414.505 4.525 50 0 HJAARN COc1ccccc1NC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)[C@@H](C)C2 ZINC000064990489 569146459 /nfs/dbraw/zinc/14/64/59/569146459.db2.gz ZYUAHCLJMRYQPQ-KRWDZBQOSA-N 0 0 415.493 4.608 50 0 HJAARN CCN(CC)c1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)o2)cc1 ZINC000006831927 569148060 /nfs/dbraw/zinc/14/80/60/569148060.db2.gz ABMKQZZXNXIVBH-UHFFFAOYSA-N 0 0 421.526 4.795 50 0 HJAARN CCOC(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000006834385 569148553 /nfs/dbraw/zinc/14/85/53/569148553.db2.gz LBOZJQACGFPQMF-IBGZPJMESA-N 0 0 401.865 4.832 50 0 HJAARN CCCCC(=O)Nc1ccccc1[C@H]1SCC(=O)N1c1cc(OC)ccc1OC ZINC000006837394 569149319 /nfs/dbraw/zinc/14/93/19/569149319.db2.gz FVGLGONKEUMRGL-JOCHJYFZSA-N 0 0 414.527 4.611 50 0 HJAARN COc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000006837999 569149542 /nfs/dbraw/zinc/14/95/42/569149542.db2.gz OGDGPWGUKBQOFY-QHCPKHFHSA-N 0 0 404.491 4.726 50 0 HJAARN COc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1OC ZINC000006847545 569154030 /nfs/dbraw/zinc/15/40/30/569154030.db2.gz XFXOCFNPOXNWPI-IBGZPJMESA-N 0 0 417.531 4.513 50 0 HJAARN CCc1nc2sc([C@H](c3ccc(C(F)(F)F)cc3)[N@@H+]3CCC[C@H](C)C3)c([O-])n2n1 ZINC000036370434 569154050 /nfs/dbraw/zinc/15/40/50/569154050.db2.gz FBNLDIQREBTOAP-LRDDRELGSA-N 0 0 424.492 4.899 50 0 HJAARN Cc1ccc(NC(=O)[C@H]2CCCN(c3ncc(-c4cccc(F)c4)cn3)C2)c(C)c1 ZINC000065023533 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O=C(c1cc(=O)c2ccccc2o1)N(C(=O)N1CCCCC1)c1ccc(Cl)cc1 ZINC000010254579 569254311 /nfs/dbraw/zinc/25/43/11/569254311.db2.gz WUIYNVPABGYUTB-UHFFFAOYSA-N 0 0 410.857 4.699 50 0 HJAARN O=S(=O)(Nc1cc2c(cc1Cl)OCCCO2)c1ccc(Cl)c(Cl)c1 ZINC000071814378 569254404 /nfs/dbraw/zinc/25/44/04/569254404.db2.gz OQNWDBQXBPQKSP-UHFFFAOYSA-N 0 0 408.690 4.609 50 0 HJAARN O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1cccc2c3c([nH]c21)CCCC3 ZINC000071823530 569254577 /nfs/dbraw/zinc/25/45/77/569254577.db2.gz ALEYKXKISJRROZ-UHFFFAOYSA-N 0 0 406.501 4.664 50 0 HJAARN O=C(NC1CCCCCC1)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000013579468 569256495 /nfs/dbraw/zinc/25/64/95/569256495.db2.gz CYKCMBOUKHBOOC-KQWNVCNZSA-N 0 0 401.510 4.778 50 0 HJAARN Cc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c(C)c1 ZINC000014426560 569260013 /nfs/dbraw/zinc/26/00/13/569260013.db2.gz FXIVPCIBBCIBLO-UHFFFAOYSA-N 0 0 408.523 4.689 50 0 HJAARN COc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2cccc(Cl)c2)n1 ZINC000014609475 569260619 /nfs/dbraw/zinc/26/06/19/569260619.db2.gz CKLQIGMZCAMMPY-UHFFFAOYSA-N 0 0 404.857 4.849 50 0 HJAARN O=C(Nc1ccc(OC(=O)c2cc(=O)[nH]c3ccccc32)cc1)c1ccccc1Cl ZINC000014630424 569260861 /nfs/dbraw/zinc/26/08/61/569260861.db2.gz HHHLKULEYZROSI-UHFFFAOYSA-N 0 0 418.836 4.653 50 0 HJAARN Cc1nc(-c2cccc(C(=O)N3CCC[C@H]3Cn3cnc4ccccc43)c2)cs1 ZINC000089712622 569263037 /nfs/dbraw/zinc/26/30/37/569263037.db2.gz ZOKSRNDXNNEQBG-IBGZPJMESA-N 0 0 402.523 4.773 50 0 HJAARN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)N1CCC[C@@H]1C1CCCC1 ZINC000089800387 569266156 /nfs/dbraw/zinc/26/61/56/569266156.db2.gz IHAMICQVNZUZEK-WBVHZDCISA-N 0 0 412.477 4.690 50 0 HJAARN O=c1c(Cl)c(Oc2ccc3c(c2)CCC3)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000089807663 569266232 /nfs/dbraw/zinc/26/62/32/569266232.db2.gz FMRPHOJYMALIPM-UHFFFAOYSA-N 0 0 407.779 4.581 50 0 HJAARN CCC(CC)c1cc(C(=O)NC2(c3noc([C@H]4CCCO4)n3)CCCCCC2)on1 ZINC000089943189 569269395 /nfs/dbraw/zinc/26/93/95/569269395.db2.gz WWAMBLXBUUAELL-QGZVFWFLSA-N 0 0 416.522 4.792 50 0 HJAARN CCCCCC(=O)N1CCN(c2cc(Oc3ccccc3Cl)ncn2)C[C@@H]1C ZINC000037356091 569272053 /nfs/dbraw/zinc/27/20/53/569272053.db2.gz GVAVXALAJJHNKW-INIZCTEOSA-N 0 0 402.926 4.540 50 0 HJAARN Cc1ccc(Nc2cc(C)nc(N3CCN(C(=O)CCC4CCCCC4)CC3)n2)cc1 ZINC000017042548 569272359 /nfs/dbraw/zinc/27/23/59/569272359.db2.gz GWZRIKUWHPSZCR-UHFFFAOYSA-N 0 0 421.589 4.846 50 0 HJAARN CCCCCC(=O)N1CCN(c2cc(Oc3ccc(Cl)c(C)c3)ncn2)C[C@H]1C ZINC000037356128 569272527 /nfs/dbraw/zinc/27/25/27/569272527.db2.gz XZGZUDBDGKPPHX-QGZVFWFLSA-N 0 0 416.953 4.848 50 0 HJAARN Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)/C=C\c1ccccc1)CC(=O)N2 ZINC000017121726 569275119 /nfs/dbraw/zinc/27/51/19/569275119.db2.gz UOTADNJIJNELJW-NZJRQSCKSA-N 0 0 400.453 4.718 50 0 HJAARN COc1cccc(-c2cc(=O)[nH]c(SCc3nc(-c4ccccc4C)no3)n2)c1 ZINC000017136095 569275477 /nfs/dbraw/zinc/27/54/77/569275477.db2.gz BNEJQUMQDBPCLU-UHFFFAOYSA-N 0 0 406.467 4.509 50 0 HJAARN O=C(NCc1c(-c2ccc(Cl)cc2)nc2n1CCS2)c1c(F)cccc1F ZINC000017149708 569275686 /nfs/dbraw/zinc/27/56/86/569275686.db2.gz WHROXIPICIOFJW-UHFFFAOYSA-N 0 0 405.857 4.517 50 0 HJAARN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000017166699 569275964 /nfs/dbraw/zinc/27/59/64/569275964.db2.gz PBOOGHXQILRJAJ-UHFFFAOYSA-N 0 0 420.582 4.788 50 0 HJAARN COc1ccccc1-c1nc(NC2CCCC2)nc2nn(-c3ccc(F)cc3)c(N)c21 ZINC000037358133 569276434 /nfs/dbraw/zinc/27/64/34/569276434.db2.gz CXZWESSAPGDSJA-UHFFFAOYSA-N 0 0 418.476 4.567 50 0 HJAARN COc1ccccc1NC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1C ZINC000000936540 569276834 /nfs/dbraw/zinc/27/68/34/569276834.db2.gz OPUPIAOGGAFQDD-UHFFFAOYSA-N 0 0 415.445 4.795 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)CSCC(=O)Nc1cccc(Cl)c1C ZINC000003017634 569278592 /nfs/dbraw/zinc/27/85/92/569278592.db2.gz WTZXUHRHFWSCNC-UHFFFAOYSA-N 0 0 413.326 4.621 50 0 HJAARN CCCCc1cc(=O)oc2c(C)c(OC(=O)[C@H](CC)NC(=O)OC(C)(C)C)ccc12 ZINC000002092225 569280440 /nfs/dbraw/zinc/28/04/40/569280440.db2.gz LSRHBMLQLKYXQY-KRWDZBQOSA-N 0 0 417.502 4.653 50 0 biogenic HJAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1cccc(Cl)c1 ZINC000000863288 569282381 /nfs/dbraw/zinc/28/23/81/569282381.db2.gz HNUTUAFJKSRNPB-UHFFFAOYSA-N 0 0 421.913 4.714 50 0 HJAARN Nc1c2c(nn1-c1cccc(F)c1)nc(NC1CCCC1)nc2-c1cccc(F)c1 ZINC000037361196 569283565 /nfs/dbraw/zinc/28/35/65/569283565.db2.gz IVIWVCOOBXSLQG-UHFFFAOYSA-N 0 0 406.440 4.697 50 0 HJAARN COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2cccc4ccccc42)C(=O)[C@@]31C ZINC000002111255 569284118 /nfs/dbraw/zinc/28/41/18/569284118.db2.gz NTGHSRAAOAGTBW-RUZDIDTESA-N 0 0 411.461 4.570 50 0 HJAARN CCCCOC(=O)c1ccc(N2COc3ccc4c(CC)cc(=O)oc4c3C2)cc1 ZINC000002114614 569284469 /nfs/dbraw/zinc/28/44/69/569284469.db2.gz BRAHBKQFWGKZFB-UHFFFAOYSA-N 0 0 407.466 4.669 50 0 biogenic HJAARN CCc1cc(=O)oc2c1ccc1c2CN(c2ccc(Br)cc2C)CO1 ZINC000002119930 569284954 /nfs/dbraw/zinc/28/49/54/569284954.db2.gz DLPYLZFUWBUOPV-UHFFFAOYSA-N 0 0 400.272 4.783 50 0 biogenic HJAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(c3cccc(F)c3)CO2)cc1 ZINC000002122653 569285581 /nfs/dbraw/zinc/28/55/81/569285581.db2.gz PQJRHLSZSOEUNB-UHFFFAOYSA-N 0 0 403.409 4.964 50 0 biogenic HJAARN CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CN3CCC[C@H]3c3cccs3)C2=O)cc1 ZINC000252443991 569285786 /nfs/dbraw/zinc/28/57/86/569285786.db2.gz LNFWCHZNNUOIQJ-MBSDFSHPSA-N 0 0 411.571 4.607 50 0 HJAARN Cc1nc(-c2ccccc2NC(=O)[C@@H](C)n2nc(-c3cccs3)ccc2=O)cs1 ZINC000208009004 569286893 /nfs/dbraw/zinc/28/68/93/569286893.db2.gz XNUJIYSHIHJEPE-CYBMUJFWSA-N 0 0 422.535 4.603 50 0 HJAARN CC(C)(C)C(=O)COc1ccc2c(c1)oc(=O)cc2-c1cc2ccccc2oc1=O ZINC000002138521 569287595 /nfs/dbraw/zinc/28/75/95/569287595.db2.gz FIQNTWVCEOYJMR-UHFFFAOYSA-N 0 0 404.418 4.560 50 0 biogenic HJAARN Cc1ccc(C)c(OCC(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C(C)C)c1 ZINC000007596696 569287708 /nfs/dbraw/zinc/28/77/08/569287708.db2.gz LUCKAXIPMAWCGT-UHFFFAOYSA-N 0 0 413.905 4.823 50 0 HJAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc4c(c3)OCCO4)cc12 ZINC000007599043 569288222 /nfs/dbraw/zinc/28/82/22/569288222.db2.gz WBCFDLFZAQORCQ-UHFFFAOYSA-N 0 0 409.442 4.558 50 0 HJAARN Cc1ccc(Cl)c(Oc2cc(N3CCN(Cc4ccc(F)cc4)CC3)ncn2)c1 ZINC000037377080 569288255 /nfs/dbraw/zinc/28/82/55/569288255.db2.gz HBARLYOIWQPTLO-UHFFFAOYSA-N 0 0 412.896 4.692 50 0 HJAARN C[C@@H]1CCC[C@H](n2c(SCc3cccc(C(N)=O)c3)nc3ccccc3c2=O)[C@H]1C ZINC000252477685 569288515 /nfs/dbraw/zinc/28/85/15/569288515.db2.gz UBPMOCMOHRLGNE-XFQAVAEZSA-N 0 0 421.566 4.785 50 0 HJAARN COc1cccc(N2CCN(c3cc(Oc4cc(C)ccc4Cl)ncn3)CC2)c1 ZINC000037377693 569289338 /nfs/dbraw/zinc/28/93/38/569289338.db2.gz HLXHKEVBINORIA-UHFFFAOYSA-N 0 0 410.905 4.566 50 0 HJAARN CCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H](CCC)NC(=O)OC(C)(C)C)c12 ZINC000002147223 569289744 /nfs/dbraw/zinc/28/97/44/569289744.db2.gz WBHNOPSYPKVOAK-INIZCTEOSA-N 0 0 417.502 4.653 50 0 biogenic HJAARN CCc1cc2c(cc1OCC(=O)OC(C)(C)C)occ(-c1nc(C)cs1)c2=O ZINC000002155391 569290266 /nfs/dbraw/zinc/29/02/66/569290266.db2.gz DQWAXWNAGNQWTN-UHFFFAOYSA-N 0 0 401.484 4.508 50 0 biogenic HJAARN O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)c1cc(Cl)ccn1 ZINC000065781802 569292657 /nfs/dbraw/zinc/29/26/57/569292657.db2.gz OVHKXDZJJWHIPA-UHFFFAOYSA-N 0 0 408.672 4.504 50 0 HJAARN COc1cccc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1 ZINC000007609884 569295375 /nfs/dbraw/zinc/29/53/75/569295375.db2.gz KVDNLPCWVWNROM-NRFANRHFSA-N 0 0 408.885 4.849 50 0 HJAARN Cc1ccc(-n2ccnc(SCC(=O)Nc3cc(Cl)ccc3C)c2=O)cc1C ZINC000007615793 569295769 /nfs/dbraw/zinc/29/57/69/569295769.db2.gz UJQNXLWEGDFEJJ-UHFFFAOYSA-N 0 0 413.930 4.542 50 0 HJAARN Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)n1C1CC1 ZINC000007617616 569296128 /nfs/dbraw/zinc/29/61/28/569296128.db2.gz RWIIFAKSHKEXPJ-HNNXBMFYSA-N 0 0 408.527 4.620 50 0 HJAARN O=C(c1cccc(F)c1)N(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037440202 569299575 /nfs/dbraw/zinc/29/95/75/569299575.db2.gz USUJQKHZEPJZFT-JOCHJYFZSA-N 0 0 424.422 4.940 50 0 HJAARN COc1ccccc1N(c1nc(-c2ccc(C)cc2)cs1)[C@H](C)C(=O)NC1CC1 ZINC000037439915 569299580 /nfs/dbraw/zinc/29/95/80/569299580.db2.gz YPTSKNPREITYIP-MRXNPFEDSA-N 0 0 407.539 4.932 50 0 HJAARN Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(C)cc4F)c(=O)c23)s1 ZINC000007671936 569299929 /nfs/dbraw/zinc/29/99/29/569299929.db2.gz BMJLJGVJSKJUOG-UHFFFAOYSA-N 0 0 413.499 4.581 50 0 HJAARN O=C(c1cnc(Cl)c(Cl)c1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000007670568 569299955 /nfs/dbraw/zinc/29/99/55/569299955.db2.gz KADBOJHXRYVSAX-GFCCVEGCSA-N 0 0 408.310 4.824 50 0 HJAARN Cc1cc(OCC(=O)OCc2nnc(-c3cc4c(s3)CCCC4)o2)ccc1Cl ZINC000007699136 569300974 /nfs/dbraw/zinc/30/09/74/569300974.db2.gz JILNXZOINZVYIE-UHFFFAOYSA-N 0 0 418.902 4.761 50 0 HJAARN CCOc1c(Br)cc(C(=O)N[C@@H]2CCCc3ccccc32)cc1OC ZINC000007699016 569301116 /nfs/dbraw/zinc/30/11/16/569301116.db2.gz HNUGYVRVRAKJIW-QGZVFWFLSA-N 0 0 404.304 4.664 50 0 HJAARN Cc1c(Cl)cccc1N1CCN(C(=O)c2ccc(Cl)cc2Cl)[C@H](C)C1=O ZINC000037520009 569302877 /nfs/dbraw/zinc/30/28/77/569302877.db2.gz RUUVECHBZLKWID-GFCCVEGCSA-N 0 0 411.716 4.833 50 0 HJAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(Cl)cc2Cl)[C@@H](C)C1=O ZINC000037520790 569302917 /nfs/dbraw/zinc/30/29/17/569302917.db2.gz HNTDYYCRWAENBR-LBPRGKRZSA-N 0 0 411.716 4.833 50 0 HJAARN CC(C)c1ccc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)[C@H](C)C2=O)cc1 ZINC000037521453 569303051 /nfs/dbraw/zinc/30/30/51/569303051.db2.gz WIEDLQZLOYIVQH-CQSZACIVSA-N 0 0 405.325 4.994 50 0 HJAARN COc1cc(Cn2c(C(=O)NCc3ccccc3F)cc3sccc32)cc(OC)c1 ZINC000037525469 569304063 /nfs/dbraw/zinc/30/40/63/569304063.db2.gz OSIOFFPUWBTWRZ-UHFFFAOYSA-N 0 0 424.497 4.837 50 0 HJAARN Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(C)c2)c1CCC(=O)NCC1CC1 ZINC000037547041 569305745 /nfs/dbraw/zinc/30/57/45/569305745.db2.gz YPTUZRRWQBAJSP-UHFFFAOYSA-N 0 0 407.489 4.879 50 0 HJAARN Cc1cc(-n2c(C)cc(C(=O)COC(=O)CCSc3ccc(C)cc3)c2C)no1 ZINC000007741664 569306005 /nfs/dbraw/zinc/30/60/05/569306005.db2.gz DMPCPGWYDCQSGE-UHFFFAOYSA-N 0 0 412.511 4.607 50 0 HJAARN COc1ccc(CCNC(=O)Cc2ccc(NCc3cc(C)cc(C)c3)cc2)cc1 ZINC000037555064 569306240 /nfs/dbraw/zinc/30/62/40/569306240.db2.gz CFZAAFPWBUXQAD-UHFFFAOYSA-N 0 0 402.538 4.826 50 0 HJAARN O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)C2CC2)cc1)Nc1ccccc1 ZINC000037555786 569306394 /nfs/dbraw/zinc/30/63/94/569306394.db2.gz DGDSLHLCZUJHDW-UHFFFAOYSA-N 0 0 402.469 4.950 50 0 HJAARN COc1ccc(-c2noc(CN(C(=O)Cc3ccc(C)cc3)C3CCCCC3)n2)cc1 ZINC000007759452 569307297 /nfs/dbraw/zinc/30/72/97/569307297.db2.gz VYCUVGVRSSFTQX-UHFFFAOYSA-N 0 0 419.525 4.958 50 0 HJAARN Cc1cccc(-c2noc(CN(C3CCCCC3)S(=O)(=O)c3ccccc3)n2)c1 ZINC000007759413 569307332 /nfs/dbraw/zinc/30/73/32/569307332.db2.gz PDDVFHNECOTKCZ-UHFFFAOYSA-N 0 0 411.527 4.569 50 0 HJAARN Cc1cccc(NC(=O)[C@@H]2CCN(c3ccc(OCc4ccccc4)cc3)C2=O)c1 ZINC000037571031 569307416 /nfs/dbraw/zinc/30/74/16/569307416.db2.gz LSJASLMJUVKQDA-QHCPKHFHSA-N 0 0 400.478 4.566 50 0 HJAARN C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000007763702 569307709 /nfs/dbraw/zinc/30/77/09/569307709.db2.gz CZPUARBYHCSNNY-CHWSQXEVSA-N 0 0 416.547 4.839 50 0 HJAARN C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000007763701 569307723 /nfs/dbraw/zinc/30/77/23/569307723.db2.gz CZPUARBYHCSNNY-QWHCGFSZSA-N 0 0 416.547 4.839 50 0 HJAARN COc1ccc(CNC(=O)Cn2c(-c3ccc(C)cc3)csc2=S)cc1OC ZINC000007777173 569308581 /nfs/dbraw/zinc/30/85/81/569308581.db2.gz LNOJHWWOELMOIF-UHFFFAOYSA-N 0 0 414.552 4.588 50 0 HJAARN Cc1ccc(C)c(Sc2ncccc2C(=O)Nc2ccnn2Cc2ccco2)c1 ZINC000007777185 569308589 /nfs/dbraw/zinc/30/85/89/569308589.db2.gz DOOQWWGMELJLRZ-UHFFFAOYSA-N 0 0 404.495 4.940 50 0 HJAARN COC(=O)[C@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccccc1 ZINC000007777278 569308603 /nfs/dbraw/zinc/30/86/03/569308603.db2.gz GUTLLGALZWTURY-INIZCTEOSA-N 0 0 409.555 4.945 50 0 HJAARN Cc1ccc(Sc2ncccc2C(=O)Nc2ccnn2Cc2cccnc2)cc1C ZINC000007778737 569308930 /nfs/dbraw/zinc/30/89/30/569308930.db2.gz AWYHMIUWSMFOIT-UHFFFAOYSA-N 0 0 415.522 4.742 50 0 HJAARN CC(=O)c1ccc(OCCCC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 ZINC000007779222 569309177 /nfs/dbraw/zinc/30/91/77/569309177.db2.gz XGOSKFHPEWMESB-UHFFFAOYSA-N 0 0 423.509 4.748 50 0 HJAARN CCCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)CC(C)C)CC2 ZINC000037601293 569309195 /nfs/dbraw/zinc/30/91/95/569309195.db2.gz CEIDMIAKJNGBJR-KBMIEXCESA-N 0 0 422.569 4.500 50 0 HJAARN O=C(N[C@H]1CCOc2ccccc21)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000007808497 569312200 /nfs/dbraw/zinc/31/22/00/569312200.db2.gz BRZAXXGSYCPHGV-FQEVSTJZSA-N 0 0 420.534 4.505 50 0 HJAARN CC(=O)N1N=C(c2ccco2)C[C@H]1c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000007814763 569312663 /nfs/dbraw/zinc/31/26/63/569312663.db2.gz ONYORJZGRXKDBH-IBGZPJMESA-N 0 0 402.479 4.891 50 0 HJAARN C[C@H]1CCc2sc(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)cc2C1 ZINC000007814277 569312670 /nfs/dbraw/zinc/31/26/70/569312670.db2.gz YLBFGJZECWIHIE-NSHDSACASA-N 0 0 406.433 4.725 50 0 HJAARN CC(C)(C)n1ncc2c1N=C1NC(=O)N(c3ccccc3)[C@H]1[C@H]2c1ccc(F)cc1 ZINC000066091490 569314532 /nfs/dbraw/zinc/31/45/32/569314532.db2.gz QRFAKHADZYSJMT-OALUTQOASA-N 0 0 403.461 4.551 50 0 HJAARN Cc1cc(C(=O)Cn2c(=O)oc3cc(Cl)ccc32)c(C)n1Cc1cccs1 ZINC000007866629 569314886 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/nfs/dbraw/zinc/71/86/78/523718678.db2.gz NUFSYEBASSZKFA-UHFFFAOYSA-N 0 0 414.534 4.886 50 0 HJAARN COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1 ZINC000032936623 523792635 /nfs/dbraw/zinc/79/26/35/523792635.db2.gz QBRPTEJCHPOIMT-UHFFFAOYSA-N 0 0 413.477 4.702 50 0 HJAARN CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)n1cnc2c3cccnc3sc2c1=O ZINC000045895554 523798577 /nfs/dbraw/zinc/79/85/77/523798577.db2.gz HNYMPKKERZMQRI-QGZVFWFLSA-N 0 0 406.511 4.719 50 0 HJAARN CN(C(=O)CSc1nc2ccccc2n1Cc1ccccc1F)c1ccccc1 ZINC000033050347 523840286 /nfs/dbraw/zinc/84/02/86/523840286.db2.gz FWXDYYNLBONZAL-UHFFFAOYSA-N 0 0 405.498 4.979 50 0 HJAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(OC)cc3)[C@H]2c2ccccc2F)cc1 ZINC000040485382 524018927 /nfs/dbraw/zinc/01/89/27/524018927.db2.gz QNDBVFXZWKOFEC-HSZRJFAPSA-N 0 0 419.452 4.896 50 0 HJAARN CCc1cccc(C)c1NC(=O)[C@@H]1CCCN(c2nc(C)nc3oc(C)c(C)c32)C1 ZINC000032960311 524065443 /nfs/dbraw/zinc/06/54/43/524065443.db2.gz ZQRZNPPLFXZJRS-LJQANCHMSA-N 0 0 406.530 4.874 50 0 HJAARN CNC(=O)CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(C)cc1 ZINC000044086613 524075345 /nfs/dbraw/zinc/07/53/45/524075345.db2.gz GVGWVVRUFHRNKX-UHFFFAOYSA-N 0 0 406.338 4.993 50 0 HJAARN COc1ccc(C[C@H](Cc2ccc3c(c2)OCO3)NC(=O)c2cccc(Cl)c2)cc1 ZINC000032949236 524155921 /nfs/dbraw/zinc/15/59/21/524155921.db2.gz YTJQBBYNLIJTIX-HXUWFJFHSA-N 0 0 423.896 4.661 50 0 biogenic HJAARN COc1ccc(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 ZINC000040272284 524258034 /nfs/dbraw/zinc/25/80/34/524258034.db2.gz UEZSZMIDRQRXSO-OAQYLSRUSA-N 0 0 411.505 4.609 50 0 HJAARN C[C@@H](C(=O)Nc1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1)n1cccn1 ZINC000031612679 524271905 /nfs/dbraw/zinc/27/19/05/524271905.db2.gz CNNFRTDOLMJPLE-LBPRGKRZSA-N 0 0 403.269 4.642 50 0 HJAARN Cc1ccc(CC(=O)OCc2csc(CC(=O)Nc3ccccc3C)n2)cc1C ZINC000032957521 524278524 /nfs/dbraw/zinc/27/85/24/524278524.db2.gz SULBQJGHVHYKGT-UHFFFAOYSA-N 0 0 408.523 4.535 50 0 HJAARN Cc1cc(C)c(NC(=O)Cn2c3ccccc3nc2C(=O)c2cccc(F)c2)c(C)c1 ZINC000032959173 524292807 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COc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)cc1Cl ZINC000044837531 524622634 /nfs/dbraw/zinc/62/26/34/524622634.db2.gz QEVIMQCSLLVZLI-UHFFFAOYSA-N 0 0 406.667 4.754 50 0 HJAARN COc1ccc(NC(=O)c2ccc(Br)cc2)cc1OCc1cccnc1 ZINC000032832164 524630418 /nfs/dbraw/zinc/63/04/18/524630418.db2.gz UFVTYJJPLGVLKR-UHFFFAOYSA-N 0 0 413.271 4.684 50 0 HJAARN COc1ccc(NC(=O)c2ccccc2OCc2nc(-c3ccccc3)no2)c(C)c1 ZINC000032578740 524645539 /nfs/dbraw/zinc/64/55/39/524645539.db2.gz QRCIKJNXAPRMBD-UHFFFAOYSA-N 0 0 415.449 4.885 50 0 HJAARN COc1ccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc1Cl ZINC000020213623 524712209 /nfs/dbraw/zinc/71/22/09/524712209.db2.gz KCTDEDVFNJEEQC-JOCHJYFZSA-N 0 0 422.868 4.844 50 0 HJAARN Cc1cccc(OCCn2c3ccccc3nc2[C@@H](C)NC(=O)c2ccco2)c1C ZINC000031903405 524750838 /nfs/dbraw/zinc/75/08/38/524750838.db2.gz CSMHPYWZPUSZDD-GOSISDBHSA-N 0 0 403.482 4.816 50 0 HJAARN Cc1ccc(Cn2ncc3c2NC(=O)C[C@@]32c3cc(C(C)C)ccc3N(C)C2=O)cc1 ZINC000032105486 524775139 /nfs/dbraw/zinc/77/51/39/524775139.db2.gz UFLGVYJIUVGJKF-RUZDIDTESA-N 0 0 414.509 4.617 50 0 HJAARN Cc1ccc(Cn2ncc3c2NC(=O)C[C@]32c3cc(C(C)C)ccc3N(C)C2=O)cc1 ZINC000032105483 524778160 /nfs/dbraw/zinc/77/81/60/524778160.db2.gz UFLGVYJIUVGJKF-VWLOTQADSA-N 0 0 414.509 4.617 50 0 HJAARN COc1ccc(OC)c(CNC(=O)c2ccc3nc(Cc4ccccc4F)oc3c2)c1 ZINC000040451199 524833826 /nfs/dbraw/zinc/83/38/26/524833826.db2.gz LOXAXCNGEYLHQB-UHFFFAOYSA-N 0 0 420.440 4.505 50 0 HJAARN COc1ccc(OC)c(NC(=O)Nc2c(-c3cccc(C)c3)nc3ccccn32)c1 ZINC000033312681 524861158 /nfs/dbraw/zinc/86/11/58/524861158.db2.gz AWMUWCIZPUODGR-UHFFFAOYSA-N 0 0 402.454 4.971 50 0 HJAARN COc1ccc(OC)c([C@@H](C)NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)c1 ZINC000032712999 524884997 /nfs/dbraw/zinc/88/49/97/524884997.db2.gz ZXEFNCBAIWOTNQ-OAHLLOKOSA-N 0 0 422.456 4.586 50 0 HJAARN COc1ccc(OCc2cc(C(=O)N3CC[C@H](C4CCCCC4)C3)no2)c(Cl)c1 ZINC000020205828 524973421 /nfs/dbraw/zinc/97/34/21/524973421.db2.gz JUMIEAHLCFGSJX-INIZCTEOSA-N 0 0 418.921 4.958 50 0 HJAARN C[C@H](NC(=O)CSc1nc2ccccc2c(NC2CC2)n1)c1ccccc1Cl ZINC000032624456 524978962 /nfs/dbraw/zinc/97/89/62/524978962.db2.gz KXLAFGNRHVGSCY-ZDUSSCGKSA-N 0 0 412.946 4.827 50 0 HJAARN Cc1cc(F)ccc1NC(=O)COc1ccc(-c2nc(-c3ccccc3)no2)cc1 ZINC000032578565 524987685 /nfs/dbraw/zinc/98/76/85/524987685.db2.gz BLNWDDXAFWWACH-UHFFFAOYSA-N 0 0 403.413 4.869 50 0 HJAARN Cc1cc(F)ccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000023970934 524988361 /nfs/dbraw/zinc/98/83/61/524988361.db2.gz RDZZNNSPVVDQIK-UHFFFAOYSA-N 0 0 419.485 4.508 50 0 HJAARN Cc1cccc2sc(C(=O)NCc3nnc4ccc(C(F)(F)F)cn43)c(Cl)c21 ZINC000032906406 524998875 /nfs/dbraw/zinc/99/88/75/524998875.db2.gz LVWYPJQFPKWKRO-UHFFFAOYSA-N 0 0 424.835 4.855 50 0 HJAARN C[C@H]1Oc2ccc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)cc2NC1=O ZINC000032772805 525062468 /nfs/dbraw/zinc/06/24/68/525062468.db2.gz VDQFGILVSTUUDQ-VFNWGFHPSA-N 0 0 404.491 4.878 50 0 HJAARN Cc1ccc(NC(=O)Cn2c3ccccc3nc2C(=O)c2cccc(F)c2)cc1C ZINC000032959159 525102524 /nfs/dbraw/zinc/10/25/24/525102524.db2.gz VNMHOOPYVIHHEI-UHFFFAOYSA-N 0 0 401.441 4.662 50 0 HJAARN C[C@H](NC(=O)c1cc(Cl)ccc1I)c1ccc(F)cc1F ZINC000032483387 525197576 /nfs/dbraw/zinc/19/75/76/525197576.db2.gz MKGGNETYXFRKKU-QMMMGPOBSA-N 0 0 421.612 4.714 50 0 HJAARN C[C@H](NC(=O)c1ccc(NC(=O)c2ccccn2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000032932299 525217458 /nfs/dbraw/zinc/21/74/58/525217458.db2.gz AKGNGIJAYXSNLA-DUXBZUBYSA-N 0 0 403.526 4.669 50 0 HJAARN COc1ccc([C@@H]2CCCN2C(=O)c2sc3nc(C)nc(C)c3c2C)cc1OC ZINC000032754676 525247575 /nfs/dbraw/zinc/24/75/75/525247575.db2.gz BXPCUYFCPTZYNO-INIZCTEOSA-N 0 0 411.527 4.611 50 0 HJAARN Cc1ccccc1Oc1nccnc1N1CCC(C(=O)NC2CCCCCC2)CC1 ZINC000033142014 525325501 /nfs/dbraw/zinc/32/55/01/525325501.db2.gz ZSKSYHDTFRFHDJ-UHFFFAOYSA-N 0 0 408.546 4.633 50 0 HJAARN CC(=O)c1ccc(N2CCN(C(=O)c3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000003284888 534850292 /nfs/dbraw/zinc/85/02/92/534850292.db2.gz BUNXKIHJDGQXFA-UHFFFAOYSA-N 0 0 400.478 4.644 50 0 HJAARN Cc1ccc(OCC(=O)Nc2nc(-c3ccc(Br)s3)ns2)cc1C ZINC000032593754 525398275 /nfs/dbraw/zinc/39/82/75/525398275.db2.gz HUPSLQWAQRDDSU-UHFFFAOYSA-N 0 0 424.345 4.663 50 0 HJAARN COc1ccc([C@H]2OC(=O)N(CCC3=CCCCC3)[C@]2(O)c2ccc(OC)cc2)cc1 ZINC000001422798 525432690 /nfs/dbraw/zinc/43/26/90/525432690.db2.gz VSSWJASGGVCXDE-NOZRDPDXSA-N 0 0 423.509 4.933 50 0 HJAARN COc1cccc(-c2cc(C(=O)Nc3ccc(F)c(Cl)c3)c3c(C)nn(C)c3n2)c1 ZINC000036616687 525703660 /nfs/dbraw/zinc/70/36/60/525703660.db2.gz QIXSCEIDWGMXGN-UHFFFAOYSA-N 0 0 424.863 4.997 50 0 HJAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cc2ccccc2C(=O)N1Cc1ccccc1 ZINC000020387231 525795856 /nfs/dbraw/zinc/79/58/56/525795856.db2.gz TZYHDYABKUWXNW-SANMLTNESA-N 0 0 404.554 4.873 50 0 HJAARN Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)n2)cc1 ZINC000032578462 525869802 /nfs/dbraw/zinc/86/98/02/525869802.db2.gz AOYPZFNVYZLIOV-UHFFFAOYSA-N 0 0 403.413 4.869 50 0 HJAARN Cc1ccc(-c2noc(-c3ccc(OCC(=O)NCc4cccc(C)c4)cc3)n2)cc1 ZINC000032578984 525870249 /nfs/dbraw/zinc/87/02/49/525870249.db2.gz KJRWPUXRJXNWCZ-UHFFFAOYSA-N 0 0 413.477 4.716 50 0 HJAARN Cc1c([C@@H](C)NC(=O)c2ccc(Cl)nc2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000032765252 525891719 /nfs/dbraw/zinc/89/17/19/525891719.db2.gz LVKVVKGOSPVMNP-LLVKDONJSA-N 0 0 408.811 4.739 50 0 HJAARN C[C@@H](Oc1ccccc1)C(=O)n1nc(-c2ccco2)nc1NCc1ccccc1Cl ZINC000020444339 525953232 /nfs/dbraw/zinc/95/32/32/525953232.db2.gz DCWLPPMGPZLNAK-OAHLLOKOSA-N 0 0 422.872 4.911 50 0 HJAARN C[C@@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)N(C)Cc1cccc(F)c1 ZINC000021980586 526015166 /nfs/dbraw/zinc/01/51/66/526015166.db2.gz MZFJUIKANVLVCU-GFCCVEGCSA-N 0 0 420.510 4.699 50 0 HJAARN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000032753867 526066978 /nfs/dbraw/zinc/06/69/78/526066978.db2.gz UWHHXEOJSCJBFE-GOSISDBHSA-N 0 0 407.535 4.519 50 0 HJAARN Cc1ccc(C(=O)N2CCC(c3ccc(O)cc3)CC2)cc1NC(=O)c1ccco1 ZINC000032892970 526087022 /nfs/dbraw/zinc/08/70/22/526087022.db2.gz AEKDUAAUCYRWNM-UHFFFAOYSA-N 0 0 404.466 4.566 50 0 HJAARN C[C@@H](c1nc2ccccc2n1C(F)F)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000032905016 526173363 /nfs/dbraw/zinc/17/33/63/526173363.db2.gz TXQYKVJUNBKCNP-INIZCTEOSA-N 0 0 412.484 4.521 50 0 HJAARN CSc1ccccc1NC(=O)[C@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 ZINC000032691275 526176102 /nfs/dbraw/zinc/17/61/02/526176102.db2.gz QMUPHVFHPBKMJK-LBPRGKRZSA-N 0 0 419.597 4.584 50 0 HJAARN CSc1ncc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(F)cc2)cn1 ZINC000020598554 526222001 /nfs/dbraw/zinc/22/20/01/526222001.db2.gz IQNVWTYMYPGEPD-QFIPXVFZSA-N 0 0 404.514 4.967 50 0 HJAARN Cc1nn2c(ncc3c2ccn(Cc2ccccc2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397589 526314440 /nfs/dbraw/zinc/31/44/40/526314440.db2.gz JHMOJTGBVCWYBO-UHFFFAOYSA-N 0 0 400.869 4.721 50 0 HJAARN O=c1[nH]c2sc3c(c2c2nc(-c4ccc(Br)cc4)nn21)CCCCC3 ZINC000040162315 526379355 /nfs/dbraw/zinc/37/93/55/526379355.db2.gz UZJLXMHUFULPBU-UHFFFAOYSA-N 0 0 415.316 4.743 50 0 HJAARN S=c1n(CN(C2CC2)C2CCCC2)nc(-c2cccnc2)n1Cc1ccccc1 ZINC000032923187 526388690 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HJAARN O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000032753501 526691510 /nfs/dbraw/zinc/69/15/10/526691510.db2.gz QQPOVLZGWZTQKY-XMMPIXPASA-N 0 0 417.480 4.643 50 0 HJAARN O=C(NCc1cccc(F)c1)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000040355797 526719732 /nfs/dbraw/zinc/71/97/32/526719732.db2.gz MNGFPSJNLIEWGJ-UHFFFAOYSA-N 0 0 424.284 4.771 50 0 HJAARN O=C(NCc1cccc(F)c1)c1csc(NC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000040355492 526719856 /nfs/dbraw/zinc/71/98/56/526719856.db2.gz LULSCDFYWLFXIL-UHFFFAOYSA-N 0 0 424.284 4.771 50 0 HJAARN O=C(c1ccc2ccccc2n1)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000077177444 526734897 /nfs/dbraw/zinc/73/48/97/526734897.db2.gz UPYZOPXYUSBQDD-INIZCTEOSA-N 0 0 418.497 4.912 50 0 HJAARN O=C(NCc1ccccc1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 ZINC000040287551 526736173 /nfs/dbraw/zinc/73/61/73/526736173.db2.gz NDEKWBYYYZVXJG-QHCPKHFHSA-N 0 0 402.538 4.798 50 0 HJAARN Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000031890912 526843533 /nfs/dbraw/zinc/84/35/33/526843533.db2.gz MYUFBHZIIFMBNO-FQEVSTJZSA-N 0 0 424.863 4.695 50 0 HJAARN Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000031890914 526844213 /nfs/dbraw/zinc/84/42/13/526844213.db2.gz MYUFBHZIIFMBNO-HXUWFJFHSA-N 0 0 424.863 4.695 50 0 HJAARN Cc1sc2ncnc(N3CCCCC3)c2c1C(=O)NCc1ccc(F)cc1Cl ZINC000033312583 526898597 /nfs/dbraw/zinc/89/85/97/526898597.db2.gz YAAPRTISHWWZAZ-UHFFFAOYSA-N 0 0 418.925 4.713 50 0 HJAARN NC(=O)CSc1ncc(-c2ccc(Br)cc2)n1-c1ccc(Cl)cc1 ZINC000044087640 526900468 /nfs/dbraw/zinc/90/04/68/526900468.db2.gz OYHVBLPPFZWVJZ-UHFFFAOYSA-N 0 0 422.735 4.533 50 0 HJAARN Cc1nc(COc2ccc(/C=C/C(=O)NCCCOC3CCCCC3)cc2)cs1 ZINC000032906383 526905843 /nfs/dbraw/zinc/90/58/43/526905843.db2.gz QUMWVEPJKXKJGX-JLHYYAGUSA-N 0 0 414.571 4.899 50 0 HJAARN O=C1C(Cl)=C(Nc2ccc(Oc3ccccc3)cc2)C(=O)N1CCc1ccccc1 ZINC000000938529 526959151 /nfs/dbraw/zinc/95/91/51/526959151.db2.gz RBDUNXZSIVVRQZ-UHFFFAOYSA-N 0 0 418.880 4.953 50 0 HJAARN Cc1nc(SCC(=O)c2c3ccccc3[nH]c2-c2ccccc2)sc1CC(N)=O ZINC000032871344 527019084 /nfs/dbraw/zinc/01/90/84/527019084.db2.gz OEZRLCWSDYFLSE-UHFFFAOYSA-N 0 0 421.547 4.603 50 0 HJAARN O=C(CSc1nnc(SCc2cccs2)s1)Nc1c(F)cccc1F ZINC000032823793 527088336 /nfs/dbraw/zinc/08/83/36/527088336.db2.gz FKRNRYKYCQQBKT-UHFFFAOYSA-N 0 0 415.537 4.901 50 0 HJAARN O=C(CSc1nnnn1-c1ccccc1)N1c2ccccc2Sc2ccccc21 ZINC000000856503 527093873 /nfs/dbraw/zinc/09/38/73/527093873.db2.gz TXHKFXJFGPPZNM-UHFFFAOYSA-N 0 0 417.519 4.584 50 0 HJAARN O=C1c2ccccc2N[C@@H](c2csc(-c3ccc(F)cc3)n2)N1C[C@@H]1CCCO1 ZINC000032854077 527134287 /nfs/dbraw/zinc/13/42/87/527134287.db2.gz OZTJPMAZGKKBER-OXJNMPFZSA-N 0 0 409.486 4.695 50 0 HJAARN O=C(Nc1ccc(C(=O)Nc2cc(F)ccc2OCC(F)(F)F)cc1)c1ccco1 ZINC000032906530 527163629 /nfs/dbraw/zinc/16/36/29/527163629.db2.gz HQXBBQUDXRZMMJ-UHFFFAOYSA-N 0 0 422.334 4.864 50 0 HJAARN O=C(Nc1ccc(F)cc1F)N[C@@H](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000032949072 527210255 /nfs/dbraw/zinc/21/02/55/527210255.db2.gz QHWGIIFCEWFBLI-SFHVURJKSA-N 0 0 410.420 4.669 50 0 HJAARN O=C(Nc1ccc(OC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1)c1cccs1 ZINC000027400027 527239016 /nfs/dbraw/zinc/23/90/16/527239016.db2.gz BQWDEHRNIASEES-HXUWFJFHSA-N 0 0 423.490 4.777 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1nc2ccccc2nc1N1CCCCC1 ZINC000032958378 527332230 /nfs/dbraw/zinc/33/22/30/527332230.db2.gz KTOTYOZZFPEDLV-UHFFFAOYSA-N 0 0 400.404 4.891 50 0 HJAARN Cn1ccnc1-c1sc(NC(=O)Cc2c[nH]c3ccccc23)nc1-c1ccccc1 ZINC000032894186 527425586 /nfs/dbraw/zinc/42/55/86/527425586.db2.gz IWLGPUKBXYFTLJ-UHFFFAOYSA-N 0 0 413.506 4.873 50 0 HJAARN O=C(Nc1ccccc1Oc1ccccc1)c1cccc(CN2C(=O)CSC2=O)c1 ZINC000032905827 527433292 /nfs/dbraw/zinc/43/32/92/527433292.db2.gz PYNOFQCTWIYTRO-UHFFFAOYSA-N 0 0 418.474 4.927 50 0 HJAARN O=c1c2sccc2n2c(SCc3ccccc3)nnc2n1Cc1cccs1 ZINC000045924500 527473072 /nfs/dbraw/zinc/47/30/72/527473072.db2.gz GMSGSTOYNQOKMX-UHFFFAOYSA-N 0 0 410.549 4.508 50 0 HJAARN O=C(NC1CCCCCC1)c1nn(Cc2ccccc2Cl)c(=O)c2ccccc21 ZINC000020495175 527520438 /nfs/dbraw/zinc/52/04/38/527520438.db2.gz FXCSDOJIOMUXDW-UHFFFAOYSA-N 0 0 409.917 4.551 50 0 HJAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCC(=O)Nc3ccccc3F)cc(C)c12 ZINC000045990806 527524137 /nfs/dbraw/zinc/52/41/37/527524137.db2.gz LDGHYZWPHCAJMR-UHFFFAOYSA-N 0 0 404.445 4.502 50 0 HJAARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1ccccc1Br)CC(=O)N2 ZINC000032071922 527527217 /nfs/dbraw/zinc/52/72/17/527527217.db2.gz KARJVBPFDPUHFT-LLVKDONJSA-N 0 0 418.682 4.510 50 0 HJAARN O=C(NCCC1=CCCCC1)c1ccc(NC(=O)N2CCSc3ncccc32)cc1 ZINC000020565069 527625671 /nfs/dbraw/zinc/62/56/71/527625671.db2.gz BKIWBLLQFLSTCU-UHFFFAOYSA-N 0 0 422.554 4.846 50 0 HJAARN CCCCC(=O)N1CCN(c2nc([C@@H](C)CC)nc3sc4c(c32)CCCC4)CC1 ZINC000035849236 534933655 /nfs/dbraw/zinc/93/36/55/534933655.db2.gz KMLBUWKAGSTMQS-INIZCTEOSA-N 0 0 414.619 4.922 50 0 HJAARN CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)CSc1nnc(N)s1 ZINC000001254484 534935314 /nfs/dbraw/zinc/93/53/14/534935314.db2.gz HJUWPHOBLUYMNU-JOCHJYFZSA-N 0 0 424.595 4.734 50 0 HJAARN CC(C)(C)c1ccc(N2C(=O)c3cccc4c(N5CCOCC5)ccc(c43)C2=O)cc1 ZINC000002294077 535117127 /nfs/dbraw/zinc/11/71/27/535117127.db2.gz MBHNKAGATPXXSZ-UHFFFAOYSA-N 0 0 414.505 4.775 50 0 HJAARN CC[C@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)c4ccco4)CC2)n1)CCCC3 ZINC000035849290 536026950 /nfs/dbraw/zinc/02/69/50/536026950.db2.gz ORCABYFXWMALCA-HNNXBMFYSA-N 0 0 424.570 4.639 50 0 HJAARN CN1C(=O)/C(=C/c2ccccc2F)Sc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000004932085 536305932 /nfs/dbraw/zinc/30/59/32/536305932.db2.gz CIJDWYKEKNJEGI-HMAPJEAMSA-N 0 0 418.493 4.865 50 0 HJAARN COc1ccc2c(c1)CCCN2C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c21 ZINC000012856851 536969860 /nfs/dbraw/zinc/96/98/60/536969860.db2.gz ILRMREXEXKSSTJ-UHFFFAOYSA-N 0 0 417.440 4.939 50 0 HJAARN Cc1c(Br)c([O-])c(Br)c(Br)c1Br ZINC000000689982 557060269 /nfs/dbraw/zinc/06/02/69/557060269.db2.gz UNPZKTDWJIQJJF-UHFFFAOYSA-N 0 0 423.724 4.751 50 0 HJAARN COC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@@H](C(=O)OC)[C@@H]1c1ccc(C)cc1 ZINC000000626799 557023330 /nfs/dbraw/zinc/02/33/30/557023330.db2.gz UHKVQSSIPLSBFK-YADHBBJMSA-N 0 0 405.494 4.675 50 0 HJAARN COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CCCC2 ZINC000000631432 557027003 /nfs/dbraw/zinc/02/70/03/557027003.db2.gz ADCPRELOHXPRLZ-UHFFFAOYSA-N 0 0 414.310 4.738 50 0 HJAARN CN(C)c1ccc(-c2csc(NC(=O)c3ccc(Br)cc3)n2)cc1 ZINC000000633494 557028503 /nfs/dbraw/zinc/02/85/03/557028503.db2.gz XCLDQMSSNHLTJR-UHFFFAOYSA-N 0 0 402.317 4.891 50 0 HJAARN CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cc2cc(OC)c(OC)cc2nc1Cl ZINC000000644923 557034625 /nfs/dbraw/zinc/03/46/25/557034625.db2.gz OQXKKTUJZRZTKD-LJQANCHMSA-N 0 0 423.900 4.993 50 0 HJAARN O=C(NCc1ccc(F)cc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 ZINC000000646971 557036806 /nfs/dbraw/zinc/03/68/06/557036806.db2.gz YGDSZUWISHOKMD-FUHWJXTLSA-N 0 0 418.394 4.613 50 0 HJAARN COc1cccc(NC(=O)c2cnn3c2nc(-c2ccc(C)cc2)cc3C(F)F)c1 ZINC000000649114 557038080 /nfs/dbraw/zinc/03/80/80/557038080.db2.gz ZYWGIBOLIUYSGY-UHFFFAOYSA-N 0 0 408.408 4.903 50 0 HJAARN CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccccc2OC)n1CC ZINC000000650881 557038679 /nfs/dbraw/zinc/03/86/79/557038679.db2.gz YHJIRMLSUPTOSZ-UHFFFAOYSA-N 0 0 424.570 4.829 50 0 HJAARN Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)cc1 ZINC000000667162 557046201 /nfs/dbraw/zinc/04/62/01/557046201.db2.gz SRHWOMMTLCCRNK-IBGZPJMESA-N 0 0 422.550 4.606 50 0 HJAARN COc1ccc(C(=O)N[C@H](CCc2ccccc2)c2ccc3c(c2)OCCO3)cc1 ZINC000000668004 557046858 /nfs/dbraw/zinc/04/68/58/557046858.db2.gz QKJOCHPGOQVCIT-JOCHJYFZSA-N 0 0 403.478 4.570 50 0 HJAARN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cc(C)cc3C)cc2)cc1 ZINC000000673787 557050669 /nfs/dbraw/zinc/05/06/69/557050669.db2.gz YXBKCVVOIKQZMV-UHFFFAOYSA-N 0 0 424.522 4.674 50 0 HJAARN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cc(C)cc3C)cc2)cc1 ZINC000000673748 557050818 /nfs/dbraw/zinc/05/08/18/557050818.db2.gz MHDAIMQFFDOHEB-UHFFFAOYSA-N 0 0 408.523 4.973 50 0 HJAARN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(Br)c(C)c1 ZINC000000678930 557054810 /nfs/dbraw/zinc/05/48/10/557054810.db2.gz PQBBTZIHPZDVOO-UHFFFAOYSA-N 0 0 413.724 4.546 50 0 HJAARN CCOc1cc(/C=C2/NC(=S)N(c3ccccc3)C2=O)c(Cl)cc1OC(C)C ZINC000000679322 557055167 /nfs/dbraw/zinc/05/51/67/557055167.db2.gz GBQZTMCQMBRFJQ-LICLKQGHSA-N 0 0 416.930 4.788 50 0 HJAARN O=C(Nc1ccc(I)cc1C(F)(F)F)c1ccccc1F ZINC000000679721 557055268 /nfs/dbraw/zinc/05/52/68/557055268.db2.gz CRUIRTVRHKDAAG-UHFFFAOYSA-N 0 0 409.120 4.701 50 0 HJAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1cc(C)ccc1C ZINC000000684368 557058016 /nfs/dbraw/zinc/05/80/16/557058016.db2.gz BMYYXNQEXJEIBP-NRFANRHFSA-N 0 0 406.511 4.712 50 0 HJAARN CCCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1c(C)cccc1C ZINC000000687300 557059130 /nfs/dbraw/zinc/05/91/30/557059130.db2.gz CJFVLYKFGXBHEY-UHFFFAOYSA-N 0 0 408.571 4.821 50 0 HJAARN CC(=O)N1N=C(c2ccc(Br)cc2Br)C[C@H]1c1ccccc1 ZINC000000688051 557059686 /nfs/dbraw/zinc/05/96/86/557059686.db2.gz BQYLNSWQCNFGBD-KRWDZBQOSA-N 0 0 422.120 4.909 50 0 HJAARN Cn1c(=O)c2c3c(sc2nc1SCc1ccccc1Br)CCCC3 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HJAARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1sc2ccccc2c1Cl ZINC000000795386 557082887 /nfs/dbraw/zinc/08/28/87/557082887.db2.gz VFUXAKIYFGOIQC-UHFFFAOYSA-N 0 0 420.943 4.592 50 0 HJAARN O=C(Nc1cccnc1Cl)c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000000799069 557083964 /nfs/dbraw/zinc/08/39/64/557083964.db2.gz KIOLNMHVGAQKDH-UHFFFAOYSA-N 0 0 417.778 4.716 50 0 HJAARN Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCc5ccccc54)c3n2)cc1 ZINC000000815332 557089725 /nfs/dbraw/zinc/08/97/25/557089725.db2.gz XXZFOSUHQKMANL-UHFFFAOYSA-N 0 0 404.420 4.845 50 0 HJAARN COc1cc([C@@H]2CC(=O)Nc3cc(OC)c(OC)cc32)ccc1OCc1ccccc1 ZINC000000816283 557090680 /nfs/dbraw/zinc/09/06/80/557090680.db2.gz WFLOKVCGAWZJDI-SFHVURJKSA-N 0 0 419.477 4.766 50 0 HJAARN CC1=C(C(=O)OCCC(C)C)[C@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1C ZINC000000817964 557091372 /nfs/dbraw/zinc/09/13/72/557091372.db2.gz OPNPEQFJVYSJDH-QHCPKHFHSA-N 0 0 422.525 4.825 50 0 HJAARN CN(C(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)C1CCCCC1 ZINC000000827029 557094456 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Cc1sc2ncnc(SCC(=O)Nc3ccc(Br)cc3)c2c1C ZINC000000888553 557111663 /nfs/dbraw/zinc/11/16/63/557111663.db2.gz JHCHVTAHQUVTMQ-UHFFFAOYSA-N 0 0 408.346 4.801 50 0 HJAARN O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCc1cccs1 ZINC000000917917 557118209 /nfs/dbraw/zinc/11/82/09/557118209.db2.gz CGLWSFSZUQXNLM-UHFFFAOYSA-N 0 0 413.446 4.616 50 0 HJAARN CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C)cc1)cc2Cl ZINC000000944069 557122216 /nfs/dbraw/zinc/12/22/16/557122216.db2.gz AONJBERNEMTIEG-UHFFFAOYSA-N 0 0 407.875 4.681 50 0 HJAARN Cc1sc2ncnc(S[C@@H]3CCCCN(C(=O)c4ccccc4)C3=O)c2c1C ZINC000000948423 557123364 /nfs/dbraw/zinc/12/33/64/557123364.db2.gz PNKGXPKLGUCTMU-MRXNPFEDSA-N 0 0 411.552 4.622 50 0 HJAARN CCOC(=O)C1C(c2ccccc2)=Nc2ncnn2[C@@H]1c1ccc(Cl)cc1Cl ZINC000000950967 557123963 /nfs/dbraw/zinc/12/39/63/557123963.db2.gz XOQWOCYVWGQYMM-GOSISDBHSA-N 0 0 415.280 4.574 50 0 HJAARN CC(C)c1ccccc1NC(=O)COc1ccc(C(=O)NCCc2ccccc2)cc1 ZINC000000958155 557126702 /nfs/dbraw/zinc/12/67/02/557126702.db2.gz QAPBBMOETSWJHS-UHFFFAOYSA-N 0 0 416.521 4.800 50 0 aggregator HJAARN COC(=O)C1=CN([C@@H](C)c2ccccc2)C=C(C(=O)OC)C1c1ccc(Cl)cc1 ZINC000000968766 557127280 /nfs/dbraw/zinc/12/72/80/557127280.db2.gz AOWRPMYTWZIIDH-HNNXBMFYSA-N 0 0 411.885 4.614 50 0 HJAARN Cc1sc(CO)c(-c2c(Br)c(C)sc2CO)c1Br ZINC000000984457 557131470 /nfs/dbraw/zinc/13/14/70/557131470.db2.gz HQTBWVPBGLPKJE-UHFFFAOYSA-N 0 0 412.168 4.603 50 0 HJAARN Nc1c(Br)cc(C(=O)OCc2ccc(Cl)cc2)cc1Br ZINC000000986235 557132502 /nfs/dbraw/zinc/13/25/02/557132502.db2.gz PCMLGCYRSHKSIU-UHFFFAOYSA-N 0 0 419.500 4.804 50 0 HJAARN Cc1ccc(OC(=O)c2cccc(Br)c2)c(-n2nc3ccccc3n2)c1 ZINC000000991240 557134431 /nfs/dbraw/zinc/13/44/31/557134431.db2.gz RMLGFKFYPVYYEO-UHFFFAOYSA-N 0 0 408.255 4.711 50 0 HJAARN COc1ccc(C(=O)[C@H](C)Oc2ccc(NC(=O)c3cccc(OC)c3)cc2)cc1 ZINC000000992997 557135998 /nfs/dbraw/zinc/13/59/98/557135998.db2.gz UHADZISXBIZLGO-INIZCTEOSA-N 0 0 405.450 4.606 50 0 HJAARN COc1ccc(-c2cc(C(=O)NCc3ccc4c(c3)OCO4)c3ccccc3n2)cc1 ZINC000000995028 557137325 /nfs/dbraw/zinc/13/73/25/557137325.db2.gz IMYZNQYTUKDRTQ-UHFFFAOYSA-N 0 0 412.445 4.569 50 0 HJAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3OC)c2C(N)=O)C1 ZINC000000996671 557137890 /nfs/dbraw/zinc/13/78/90/557137890.db2.gz WPYPNPXIZKRUTR-CYBMUJFWSA-N 0 0 400.544 4.649 50 0 HJAARN CCc1c(C)sc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c1C(=O)OC(C)C ZINC000000996231 557137940 /nfs/dbraw/zinc/13/79/40/557137940.db2.gz YVHDZQYXQFGXFR-VQHVLOKHSA-N 0 0 401.484 4.565 50 0 HJAARN CSc1ccccc1NC(=O)c1ccc(Cn2nc(C)c(Br)c2C)o1 ZINC000001002264 557139831 /nfs/dbraw/zinc/13/98/31/557139831.db2.gz OPMUGBPSBNFAPZ-UHFFFAOYSA-N 0 0 420.332 4.878 50 0 HJAARN O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1cccc(Cl)c1 ZINC000001003810 557140152 /nfs/dbraw/zinc/14/01/52/557140152.db2.gz AVKMEWLTEGCWQL-UHFFFAOYSA-N 0 0 407.923 4.549 50 0 HJAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NC4CCCCCC4)c3n2)cc1 ZINC000001003087 557140185 /nfs/dbraw/zinc/14/01/85/557140185.db2.gz IGOYLOQEVKETAS-UHFFFAOYSA-N 0 0 414.456 4.795 50 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Cc1ccc(-n2nnnc2SCC(=O)c2ccc(-c3ccccc3)cc2)cc1C ZINC000001045693 557156149 /nfs/dbraw/zinc/15/61/49/557156149.db2.gz AUDGHRYLZZPLJU-UHFFFAOYSA-N 0 0 400.507 4.921 50 0 HJAARN O=C(CCn1c(=O)oc2ccccc21)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001047614 557157226 /nfs/dbraw/zinc/15/72/26/557157226.db2.gz FJFDJBLJSMNGDR-UHFFFAOYSA-N 0 0 418.293 4.661 50 0 HJAARN COc1ccc(NC2=C[C@@H](c3ccc(F)cc3)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000001061654 557164416 /nfs/dbraw/zinc/16/44/16/557164416.db2.gz IXTHZNVFHVOHAR-QHCPKHFHSA-N 0 0 404.441 4.927 50 0 aggregator HJAARN Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)[C@@]21SCC(=O)N1c1ccc(F)cc1 ZINC000001069742 557168764 /nfs/dbraw/zinc/16/87/64/557168764.db2.gz YGRBMKXOAUNPHR-PSLXWICFSA-N 0 0 410.514 4.699 50 0 HJAARN Cc1c(C)c(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)ccc1Br ZINC000001072330 557170284 /nfs/dbraw/zinc/17/02/84/557170284.db2.gz RLXFRESIRKLQMW-ZDUSSCGKSA-N 0 0 421.722 4.711 50 0 HJAARN O=C(NCc1ccccc1F)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000001073678 557171612 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O=C(CSc1nnc(-c2cccs2)n1Cc1ccco1)Nc1ccc(F)cc1 ZINC000005100418 557635298 /nfs/dbraw/zinc/63/52/98/557635298.db2.gz DRFKJZHYUQLWHT-UHFFFAOYSA-N 0 0 414.487 4.518 50 0 HJAARN Cc1cccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2Cc2ccco2)c1 ZINC000005196264 557639798 /nfs/dbraw/zinc/63/97/98/557639798.db2.gz NUANQGARFJDMDL-UHFFFAOYSA-N 0 0 418.522 4.934 50 0 HJAARN CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1ccc(Cl)cc1 ZINC000005308962 557644111 /nfs/dbraw/zinc/64/41/11/557644111.db2.gz AMZRLWFMUXYCIC-UHFFFAOYSA-N 0 0 404.898 4.797 50 0 HJAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccccn2)cc1 ZINC000005340811 557645559 /nfs/dbraw/zinc/64/55/59/557645559.db2.gz OWEMZGVYRVVULB-UHFFFAOYSA-N 0 0 415.522 4.677 50 0 HJAARN COc1cc2c(cc1OC)[C@H](C)N(CC(=O)Nc1cc(Cl)cc(Cl)c1)CC2 ZINC000005389182 557650110 /nfs/dbraw/zinc/65/01/10/557650110.db2.gz KAYFORKSFLUEML-LBPRGKRZSA-N 0 0 409.313 4.568 50 0 HJAARN CCOC(=O)c1c(NC(=O)CCSC)sc2c1CC[C@H](c1ccccc1)C2 ZINC000022658129 557674884 /nfs/dbraw/zinc/67/48/84/557674884.db2.gz 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CCc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)COc3ccc(F)cc3)nc21 ZINC000022889164 557847266 /nfs/dbraw/zinc/84/72/66/557847266.db2.gz LOHAIQFWSCUCKL-SFHVURJKSA-N 0 0 414.502 4.589 50 0 HJAARN COc1ccc(CCC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)cc1 ZINC000009668499 557848080 /nfs/dbraw/zinc/84/80/80/557848080.db2.gz UCMGHKOTEIDECN-UHFFFAOYSA-N 0 0 402.494 4.505 50 0 biogenic HJAARN O=S(=O)(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc2c(c1)OCCO2 ZINC000009672010 557848326 /nfs/dbraw/zinc/84/83/26/557848326.db2.gz YZGOQSMUWUHCOA-UHFFFAOYSA-N 0 0 424.503 4.535 50 0 HJAARN O=C(CCc1ccccc1)n1nc(NCc2cccs2)nc1NCc1cccs1 ZINC000009907557 557851241 /nfs/dbraw/zinc/85/12/41/557851241.db2.gz PFUMRRRTTZFNNV-UHFFFAOYSA-N 0 0 423.567 4.898 50 0 HJAARN COc1ccc(C(=O)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)c(OC)c1 ZINC000010119477 557855868 /nfs/dbraw/zinc/85/58/68/557855868.db2.gz WLLIEHFTFRVDRO-UHFFFAOYSA-N 0 0 404.422 4.778 50 0 HJAARN Cc1ccc(OCCCCn2c(CNC(=O)c3ccco3)nc3ccccc32)cc1 ZINC000011667186 558269145 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Fc1ccc(NC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019800226 558285252 /nfs/dbraw/zinc/28/52/52/558285252.db2.gz ZWCIAOSJKUXWNQ-UHFFFAOYSA-N 0 0 405.542 4.930 50 0 HJAARN CCc1ccc(NC(=O)C[C@H]2C(=O)N(C3CCCCC3)c3nc4ccccc4n32)cc1 ZINC000019817405 558287593 /nfs/dbraw/zinc/28/75/93/558287593.db2.gz PSNBLJDFFRTLKJ-QFIPXVFZSA-N 0 0 416.525 4.848 50 0 HJAARN Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccnc(Cl)c2)n1 ZINC000011844648 558289287 /nfs/dbraw/zinc/28/92/87/558289287.db2.gz HOCCLOOCDDBDBD-JOCHJYFZSA-N 0 0 402.885 4.708 50 0 HJAARN COc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccco2)cc1 ZINC000019824444 558291078 /nfs/dbraw/zinc/29/10/78/558291078.db2.gz ISJUXIBXWUNVOW-UHFFFAOYSA-N 0 0 420.494 4.575 50 0 HJAARN COc1cc(CN2CCC[C@H](C(=O)c3ccc(SC)cc3)C2)cc(Cl)c1O ZINC000011873376 558291271 /nfs/dbraw/zinc/29/12/71/558291271.db2.gz YPAXPFPIUYDQCM-INIZCTEOSA-N 0 0 405.947 4.871 50 0 HJAARN Cc1c(C(=O)NCCc2ccncc2)sc2ncnc(N[C@H](C)c3cccs3)c12 ZINC000011881502 558295219 /nfs/dbraw/zinc/29/52/19/558295219.db2.gz QFSLGLFPTBMJOB-CQSZACIVSA-N 0 0 423.567 4.602 50 0 HJAARN COc1ccc(CN2CCN(Cc3ccccc3F)CC2)cc1OCc1ccccc1 ZINC000019851244 558295664 /nfs/dbraw/zinc/29/56/64/558295664.db2.gz CMBYVBTYKQQZAC-UHFFFAOYSA-N 0 0 420.528 4.731 50 0 HJAARN O=C(NCc1cccc(-n2cccn2)c1)c1ccc2oc(Cc3ccccc3)nc2c1 ZINC000011946711 558302412 /nfs/dbraw/zinc/30/24/12/558302412.db2.gz YIESVYJJSYOCCO-UHFFFAOYSA-N 0 0 408.461 4.534 50 0 HJAARN CN1CCc2nc3sc(C(=O)Nc4ccccc4)c(N)c3c(-c3ccccc3)c2C1 ZINC000019889365 558302521 /nfs/dbraw/zinc/30/25/21/558302521.db2.gz DWTNCMDLZDFVJF-UHFFFAOYSA-N 0 0 414.534 4.786 50 0 HJAARN Cc1nc(NCc2ccc3c(c2)CCO3)sc1-c1ccn(Cc2ccccc2)n1 ZINC000012001932 558308354 /nfs/dbraw/zinc/30/83/54/558308354.db2.gz AZPUVYFCUPUKLK-UHFFFAOYSA-N 0 0 402.523 4.910 50 0 HJAARN COC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)Nc3ccc(Cl)cc3)c21 ZINC000019957449 558315291 /nfs/dbraw/zinc/31/52/91/558315291.db2.gz MYEJEJRWJLJARN-UHFFFAOYSA-N 0 0 401.850 4.579 50 0 HJAARN COc1cccc(-n2ccc3c(cnc4c(-c5cccc(Cl)c5)c(C)nn43)c2=O)c1 ZINC000019962564 558316044 /nfs/dbraw/zinc/31/60/44/558316044.db2.gz RRSSSDOOUGRTIO-UHFFFAOYSA-N 0 0 416.868 4.671 50 0 HJAARN Cc1ccc([C@H]2c3c(oc4cc(C)ccc4c3=O)C(=O)N2CCCOC(C)C)cc1 ZINC000012062503 558317336 /nfs/dbraw/zinc/31/73/36/558317336.db2.gz ZJKYIQWVQAPQOE-QFIPXVFZSA-N 0 0 405.494 4.770 50 0 HJAARN C[C@H](CNC(=O)CC[C@@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)c1ccccc1 ZINC000012099145 558325519 /nfs/dbraw/zinc/32/55/19/558325519.db2.gz DABTXOWXAYYZIS-HRFSGMKKSA-N 0 0 414.549 4.731 50 0 HJAARN CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)CCc2ccco2)C3)c1 ZINC000012100115 558326105 /nfs/dbraw/zinc/32/61/05/558326105.db2.gz BYCBQYOIAWKVMY-FQEVSTJZSA-N 0 0 421.468 4.649 50 0 HJAARN CC[C@@H](C)CC(=O)NCc1nc(-c2ccccc2NC(=O)Cc2ccccc2)oc1C ZINC000012100219 558326125 /nfs/dbraw/zinc/32/61/25/558326125.db2.gz RYRKAHUEZQNHQS-QGZVFWFLSA-N 0 0 419.525 4.884 50 0 HJAARN Cc1nc(NCc2cccc3c2OCO3)sc1-c1ccn(Cc2ccccc2F)n1 ZINC000012128812 558331826 /nfs/dbraw/zinc/33/18/26/558331826.db2.gz UFJYUVCCMCRBLC-UHFFFAOYSA-N 0 0 422.485 4.843 50 0 HJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000020311670 558354995 /nfs/dbraw/zinc/35/49/95/558354995.db2.gz BIBOVCPCOSIHJP-ZGRWHYIRSA-N 0 0 419.352 4.618 50 0 HJAARN Fc1ccc(NC(=S)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c(F)c1 ZINC000020363390 558358240 /nfs/dbraw/zinc/35/82/40/558358240.db2.gz DGXGNMNBONPFCJ-UHFFFAOYSA-N 0 0 416.324 4.786 50 0 HJAARN Cc1cc(C)c2c(=O)nc(SCc3cccnc3)n(-c3cccc(C)c3C)c2n1 ZINC000020418045 558361395 /nfs/dbraw/zinc/36/13/95/558361395.db2.gz FRMSJGYXZJFJTM-UHFFFAOYSA-N 0 0 402.523 4.702 50 0 HJAARN Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1Br ZINC000012293613 558366730 /nfs/dbraw/zinc/36/67/30/558366730.db2.gz QIQZVWZQMWDRKF-UHFFFAOYSA-N 0 0 423.310 4.940 50 0 HJAARN Cc1noc(C)c1CC(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1 ZINC000012298122 558368203 /nfs/dbraw/zinc/36/82/03/558368203.db2.gz URNLRWGBXSOERJ-OAQYLSRUSA-N 0 0 406.530 4.511 50 0 HJAARN Cn1c2ccccc2c2cc(C(=O)N3CCC(CO)(Cc4ccccc4)CC3)ccc21 ZINC000012298581 558368597 /nfs/dbraw/zinc/36/85/97/558368597.db2.gz FZRYZUNOPPTOIU-UHFFFAOYSA-N 0 0 412.533 4.789 50 0 HJAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(Cc3cccc4ccccc43)CC2)cc1 ZINC000020468230 558374274 /nfs/dbraw/zinc/37/42/74/558374274.db2.gz XQDLQUORXVWRHG-UHFFFAOYSA-N 0 0 422.594 4.644 50 0 HJAARN O=C(NCC[C@H]1CCCCO1)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12 ZINC000012316176 558379693 /nfs/dbraw/zinc/37/96/93/558379693.db2.gz ZCOYGFKOWFUNIP-OAHLLOKOSA-N 0 0 423.460 4.771 50 0 HJAARN O=S(=O)(N[C@@H](c1cccs1)C1CC1)c1ccc(Br)cc1Cl ZINC000010683171 558385955 /nfs/dbraw/zinc/38/59/55/558385955.db2.gz BMAZHALUGDLPDN-CQSZACIVSA-N 0 0 406.754 4.594 50 0 HJAARN CCOC(=O)Cn1nc(C2CC2)c2c1nc(-c1ccc(C)cc1)cc2C(F)(F)F ZINC000020604542 558386829 /nfs/dbraw/zinc/38/68/29/558386829.db2.gz COJPJZITBDLFIP-UHFFFAOYSA-N 0 0 403.404 4.866 50 0 HJAARN CCCCn1c2nc(-c3cccc(OC)c3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020608059 558388689 /nfs/dbraw/zinc/38/86/89/558388689.db2.gz AWSRKTDCRKPMEN-UHFFFAOYSA-N 0 0 409.433 4.949 50 0 HJAARN O=C1C[C@@H](c2ccccc2F)c2scc(S(=O)(=O)c3ccc(Cl)cc3)c2N1 ZINC000012375459 558391577 /nfs/dbraw/zinc/39/15/77/558391577.db2.gz VTTBLDXGVSJLLG-AWEZNQCLSA-N 0 0 421.902 4.848 50 0 HJAARN C[C@@H](C(=O)Nc1ccccc1Cl)n1ccc(C(=O)Nc2ccccc2Cl)n1 ZINC000020617009 558393458 /nfs/dbraw/zinc/39/34/58/558393458.db2.gz LWULKJGLYHMTPU-LBPRGKRZSA-N 0 0 403.269 4.642 50 0 HJAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1)n1ccc(C(=O)Nc2ccc(Cl)cc2)n1 ZINC000020616998 558393519 /nfs/dbraw/zinc/39/35/19/558393519.db2.gz HJXZYXZFRWCLKV-LBPRGKRZSA-N 0 0 403.269 4.642 50 0 HJAARN C[C@@H](C(=O)Nc1cccc(Cl)c1)n1ccc(C(=O)Nc2cccc(Cl)c2)n1 ZINC000020617551 558393839 /nfs/dbraw/zinc/39/38/39/558393839.db2.gz NKPRWPQDMQLIOI-LBPRGKRZSA-N 0 0 403.269 4.642 50 0 HJAARN CCOc1ccc(Oc2c(F)c(F)c(/C=C/CN3CCOCC3)c(F)c2F)cc1 ZINC000020638474 558396870 /nfs/dbraw/zinc/39/68/70/558396870.db2.gz YKEINGGVJNBZLX-ONEGZZNKSA-N 0 0 411.395 4.779 50 0 HJAARN Brc1cncc(-c2nn3c(Cc4cccc5ccccc54)nnc3s2)c1 ZINC000012408074 558399121 /nfs/dbraw/zinc/39/91/21/558399121.db2.gz JPAMKHNYZDADQM-UHFFFAOYSA-N 0 0 422.311 4.754 50 0 HJAARN CC(C)C[C@@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1nnc2ccccn21 ZINC000020714901 558400954 /nfs/dbraw/zinc/40/09/54/558400954.db2.gz QSSPBEZQVNXTNC-LJQANCHMSA-N 0 0 412.493 4.871 50 0 HJAARN O=C(NCc1ccco1)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000020721377 558402967 /nfs/dbraw/zinc/40/29/67/558402967.db2.gz LDLVRNPRGGTMKL-QHCPKHFHSA-N 0 0 414.505 4.648 50 0 HJAARN Cc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCC(c4noc5cc(F)ccc54)CC3)c2c1 ZINC000020729881 558406106 /nfs/dbraw/zinc/40/61/06/558406106.db2.gz APHRVQCJLDDDGL-JOCHJYFZSA-N 0 0 407.445 4.762 50 0 HJAARN Cc1oc(-c2cccs2)nc1CN1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000012431584 558406231 /nfs/dbraw/zinc/40/62/31/558406231.db2.gz CSRBQAUBBXRRDM-KRWDZBQOSA-N 0 0 411.527 4.559 50 0 HJAARN O=C(NCc1ccncc1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 ZINC000020736985 558408151 /nfs/dbraw/zinc/40/81/51/558408151.db2.gz RHJOUYMNSBQYTA-QHCPKHFHSA-N 0 0 417.553 4.583 50 0 HJAARN COc1ccc(-n2ccnc2CN2CCC[C@H](C(=O)c3ccccc3SC)C2)cc1 ZINC000012437737 558409523 /nfs/dbraw/zinc/40/95/23/558409523.db2.gz HBWTVAXSUGLTDU-SFHVURJKSA-N 0 0 421.566 4.698 50 0 HJAARN COc1ccc(OC)c2c1cc(C(=O)N1CCc3[nH]c4ccc(Cl)cc4c3C1)n2C ZINC000020745354 558410094 /nfs/dbraw/zinc/41/00/94/558410094.db2.gz GEXIMVONZSKGSE-UHFFFAOYSA-N 0 0 423.900 4.529 50 0 biogenic HJAARN CCCCN1c2ccccc2[C@@]2(CC(=O)Nc3c2cnn3-c2ccc(Cl)cc2)C1=O ZINC000020745778 558410722 /nfs/dbraw/zinc/41/07/22/558410722.db2.gz TUMPWUVMRHKMNX-HSZRJFAPSA-N 0 0 420.900 4.950 50 0 HJAARN Cc1noc(C)c1CCC(=O)N[C@H](C)c1cnn(-c2cccc3ccccc32)c1C ZINC000012441134 558412028 /nfs/dbraw/zinc/41/20/28/558412028.db2.gz DGCUFJLGADDIBV-OAHLLOKOSA-N 0 0 402.498 4.749 50 0 HJAARN O=C(c1cc(COc2ccc3ncccc3c2)on1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000012448811 558415632 /nfs/dbraw/zinc/41/56/32/558415632.db2.gz HTILNGQVSUUKMB-QHCPKHFHSA-N 0 0 417.440 4.918 50 0 HJAARN CCOC(=O)N1CCc2nc(NC(=O)c3sc4ccccc4c3Cl)sc2C1 ZINC000010694044 558418100 /nfs/dbraw/zinc/41/81/00/558418100.db2.gz RPEBRIUUKCLRGW-UHFFFAOYSA-N 0 0 421.931 4.778 50 0 HJAARN COc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2C)CC1=O ZINC000012463068 558419701 /nfs/dbraw/zinc/41/97/01/558419701.db2.gz VFNHRYFAQKZDGZ-FQEVSTJZSA-N 0 0 411.505 4.922 50 0 HJAARN O=C(Cc1ccc(NC(=O)N2CCSc3ncccc32)cc1)Nc1ccc(F)cc1 ZINC000020939643 558424582 /nfs/dbraw/zinc/42/45/82/558424582.db2.gz AVWLEJLXJLLXJJ-UHFFFAOYSA-N 0 0 422.485 4.546 50 0 HJAARN Cc1ccccc1C(=O)Nc1ccc(NC(=O)COc2ccccc2Cl)cc1O ZINC000021125237 558431368 /nfs/dbraw/zinc/43/13/68/558431368.db2.gz VUKLGISXKFYVTC-UHFFFAOYSA-N 0 0 410.857 4.624 50 0 HJAARN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1c(C)cccc1C ZINC000021176727 558433177 /nfs/dbraw/zinc/43/31/77/558433177.db2.gz KIBIUWCIZQBRLB-UHFFFAOYSA-N 0 0 420.534 4.680 50 0 HJAARN O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000012587864 558434867 /nfs/dbraw/zinc/43/48/67/558434867.db2.gz KFKXJVPLQVZYIM-HXUWFJFHSA-N 0 0 416.859 4.625 50 0 HJAARN COc1ccc(C2=NC[C@H](CSc3nc(C)c(Cc4ccccc4)[nH]3)S2)cc1 ZINC000021331807 558436067 /nfs/dbraw/zinc/43/60/67/558436067.db2.gz FISGBPGFEAFNDK-LJQANCHMSA-N 0 0 409.580 4.972 50 0 HJAARN CSCC[C@H](NC(=O)c1ccc(Br)cc1)c1nc2ccccc2[nH]1 ZINC000012602667 558438409 /nfs/dbraw/zinc/43/84/09/558438409.db2.gz YWMUJPSEEODPPI-INIZCTEOSA-N 0 0 404.333 4.550 50 0 HJAARN O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1sc2cc(F)ccc2c1Cl ZINC000021540791 558441233 /nfs/dbraw/zinc/44/12/33/558441233.db2.gz JZYFUJPUSLCAQI-AWEZNQCLSA-N 0 0 424.950 4.559 50 0 HJAARN O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cccc(CN2CCCC2=O)c1 ZINC000021588164 558442447 /nfs/dbraw/zinc/44/24/47/558442447.db2.gz JLVWVRCWKGIGEY-UHFFFAOYSA-N 0 0 417.943 4.900 50 0 HJAARN COc1ccc(-c2ccc(SCC(=O)Nc3cc(Cl)ccc3OC)nn2)cc1 ZINC000004355750 558443245 /nfs/dbraw/zinc/44/32/45/558443245.db2.gz XNRXOGNFFWXJNI-UHFFFAOYSA-N 0 0 415.902 4.545 50 0 HJAARN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)cc4OC)cc3n2)cc1 ZINC000012651348 558443950 /nfs/dbraw/zinc/44/39/50/558443950.db2.gz KHXHEKNEIQTSDY-UHFFFAOYSA-N 0 0 416.481 4.561 50 0 HJAARN COc1ccc(Cc2nc3ccccc3n2C[C@@H](O)COc2cccc(C)c2C)cc1 ZINC000021659922 558444894 /nfs/dbraw/zinc/44/48/94/558444894.db2.gz DGBMNRYCLJLXCY-OAQYLSRUSA-N 0 0 416.521 4.692 50 0 HJAARN O=C(Cc1csc(-c2ccsc2)n1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000021708193 558446427 /nfs/dbraw/zinc/44/64/27/558446427.db2.gz YUUBYXFBTYEQDQ-UHFFFAOYSA-N 0 0 409.536 4.962 50 0 HJAARN Cc1nc(-c2ccccc2)sc1CCNS(=O)(=O)c1ccc2ccccc2c1 ZINC000004358637 558446597 /nfs/dbraw/zinc/44/65/97/558446597.db2.gz JCMZROGIUCVOPA-UHFFFAOYSA-N 0 0 408.548 4.793 50 0 HJAARN COc1ccc(-c2cnc3cc(-c4ccc(C(C)(C)C)cc4)nn3c2N)cc1OC ZINC000021728676 558447129 /nfs/dbraw/zinc/44/71/29/558447129.db2.gz INKVYCWNJBVITO-UHFFFAOYSA-N 0 0 402.498 4.960 50 0 HJAARN Cc1ccc(O)c(-c2n[nH]c3c2[C@@H](c2ccccc2F)N(CCCOC(C)C)C3=O)c1 ZINC000021782824 558448266 /nfs/dbraw/zinc/44/82/66/558448266.db2.gz OYAIKNCEYBJSBG-HSZRJFAPSA-N 0 0 423.488 4.590 50 0 HJAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3ccccc3Cl)C2)c(C)c1 ZINC000012706774 558450195 /nfs/dbraw/zinc/45/01/95/558450195.db2.gz YGFJXGBDCNTVBZ-QGZVFWFLSA-N 0 0 414.933 4.928 50 0 HJAARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccccc1OC[C@@H]1CCCO1 ZINC000021843909 558451906 /nfs/dbraw/zinc/45/19/06/558451906.db2.gz RBDVEPPHZFHOEG-SFHVURJKSA-N 0 0 419.506 4.873 50 0 HJAARN COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(Cc4nccs4)C3)cc2)c1 ZINC000012751224 558458997 /nfs/dbraw/zinc/45/89/97/558458997.db2.gz JXWYFCGYXGVDBU-IBGZPJMESA-N 0 0 407.539 4.669 50 0 HJAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)N(Cc1ccccc1)c1ccccn1 ZINC000010814062 558460512 /nfs/dbraw/zinc/46/05/12/558460512.db2.gz JPNXKCDVXJKNGE-MRXNPFEDSA-N 0 0 411.299 4.845 50 0 HJAARN COc1ccccc1C(=O)[C@@H]1CCCN(C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000012759030 558460672 /nfs/dbraw/zinc/46/06/72/558460672.db2.gz ZOBDJKDATPVRBW-CQSZACIVSA-N 0 0 406.404 4.841 50 0 HJAARN O=C(CSc1ccccc1)N1CCC(CO)(Cc2ccccc2C(F)(F)F)CC1 ZINC000012761676 558461168 /nfs/dbraw/zinc/46/11/68/558461168.db2.gz BMQXYGVDOXVYFI-UHFFFAOYSA-N 0 0 423.500 4.641 50 0 HJAARN CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3c(Cl)cccc3Cl)n2)o1 ZINC000022067589 558461319 /nfs/dbraw/zinc/46/13/19/558461319.db2.gz WXRLWJLBVWVMDJ-UHFFFAOYSA-N 0 0 424.309 4.527 50 0 HJAARN CCc1ccc(C(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccco2)cc1 ZINC000012780606 558463005 /nfs/dbraw/zinc/46/30/05/558463005.db2.gz VCUJDSYYVTWSBC-INIZCTEOSA-N 0 0 418.522 4.907 50 0 HJAARN O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1ccc(Br)cc1 ZINC000012791798 558465994 /nfs/dbraw/zinc/46/59/94/558465994.db2.gz IHRFDOYQVHMAMU-UHFFFAOYSA-N 0 0 407.214 4.954 50 0 HJAARN Cc1cc(NC(=O)CN[C@@H](c2cccs2)c2ccc(F)cc2)n(-c2ccccc2)n1 ZINC000012796054 558468919 /nfs/dbraw/zinc/46/89/19/558468919.db2.gz RYSXJEYLVAPLNE-HSZRJFAPSA-N 0 0 420.513 4.699 50 0 HJAARN CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)N3c4ccccc4C[C@H]3C)o2)cc1 ZINC000012803538 558472585 /nfs/dbraw/zinc/47/25/85/558472585.db2.gz ALCDGDXKAIURJU-CABCVRRESA-N 0 0 409.511 4.594 50 0 HJAARN CCCC[C@H](Sc1n[nH]c(-c2ccc(Cl)cc2)n1)C(=O)Nc1cc(C)on1 ZINC000022279491 558475763 /nfs/dbraw/zinc/47/57/63/558475763.db2.gz HMJNLEDKIPLVBE-AWEZNQCLSA-N 0 0 405.911 4.711 50 0 HJAARN O=C(CCc1nc(-c2ccsc2)no1)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000012858098 558480776 /nfs/dbraw/zinc/48/07/76/558480776.db2.gz YLSVUHNPSFZEDM-UHFFFAOYSA-N 0 0 423.469 4.979 50 0 HJAARN CC(C)(C)N1C[C@H](c2nc3ccccc3n2CCOc2ccccc2Cl)CC1=O ZINC000004386042 558483711 /nfs/dbraw/zinc/48/37/11/558483711.db2.gz YTFMORJSUYRWDM-MRXNPFEDSA-N 0 0 411.933 4.883 50 0 HJAARN CC(C)(C)N1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2Cl)CC1=O ZINC000004386043 558483750 /nfs/dbraw/zinc/48/37/50/558483750.db2.gz YTFMORJSUYRWDM-INIZCTEOSA-N 0 0 411.933 4.883 50 0 HJAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000012904626 558483957 /nfs/dbraw/zinc/48/39/57/558483957.db2.gz PYFVLKXEOFUNKI-KRWDZBQOSA-N 0 0 410.297 4.753 50 0 HJAARN Cc1nc(-c2cccc(C)c2)sc1CCNS(=O)(=O)c1c(C)cc(C)cc1C ZINC000004392388 558485096 /nfs/dbraw/zinc/48/50/96/558485096.db2.gz PZCALTYQSTVLOJ-UHFFFAOYSA-N 0 0 414.596 4.873 50 0 HJAARN O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccccc1OCc1ccc(F)cc1 ZINC000012940442 558487097 /nfs/dbraw/zinc/48/70/97/558487097.db2.gz XIXDHNCIBPPWAY-UHFFFAOYSA-N 0 0 418.468 4.893 50 0 HJAARN C[C@H](Sc1ccccc1C(=O)OCC(=O)C(C)(C)C)C(=O)N(C)c1ccccc1 ZINC000012976498 558491781 /nfs/dbraw/zinc/49/17/81/558491781.db2.gz SXOAXBZTNRJLBC-INIZCTEOSA-N 0 0 413.539 4.602 50 0 HJAARN O=C(Cc1noc2ccccc21)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000022486028 558491904 /nfs/dbraw/zinc/49/19/04/558491904.db2.gz OYBCZMOKZUAYAR-UHFFFAOYSA-N 0 0 411.255 4.709 50 0 HJAARN Cc1cc(C)c(NC(=O)CN(C)CCC(=O)Nc2c(Cl)cccc2Cl)c(C)c1 ZINC000012978489 558492589 /nfs/dbraw/zinc/49/25/89/558492589.db2.gz GSMXVTNDIPLDCV-UHFFFAOYSA-N 0 0 422.356 4.818 50 0 HJAARN O=S(=O)(c1ccccc1Br)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000012984884 558495049 /nfs/dbraw/zinc/49/50/49/558495049.db2.gz 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420.557 4.901 50 0 HJAARN CCCCN(Cc1ccccc1)C(=O)CCc1nnc([C@H](OC)c2ccccc2)o1 ZINC000014971604 558687519 /nfs/dbraw/zinc/68/75/19/558687519.db2.gz JQDGFJWBAFZWGG-HSZRJFAPSA-N 0 0 407.514 4.567 50 0 HJAARN COc1ccc(-c2nc(CCNC(=O)COc3ccc(C(C)C)cc3)cs2)cc1 ZINC000027993675 558688724 /nfs/dbraw/zinc/68/87/24/558688724.db2.gz LQYAXLDQPLWKGN-UHFFFAOYSA-N 0 0 410.539 4.680 50 0 HJAARN CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@H](CC[C@@]34CCC(=O)O4)[C@H]12 ZINC000003881698 558690692 /nfs/dbraw/zinc/69/06/92/558690692.db2.gz LXMSZDCAJNLERA-RYWIMJLKSA-N 0 0 416.583 4.852 50 0 biogenic HJAARN COC(=O)c1ccc(NC(=O)Cc2csc(SCc3ccc(C)cc3)n2)cc1 ZINC000011027674 558692184 /nfs/dbraw/zinc/69/21/84/558692184.db2.gz MBYHCQKNWWLBCE-UHFFFAOYSA-N 0 0 412.536 4.712 50 0 HJAARN COc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3ccccc3Cl)cs2)cc1 ZINC000028286807 558694189 /nfs/dbraw/zinc/69/41/89/558694189.db2.gz VXRCVUZBACBZDV-CQSZACIVSA-N 0 0 416.930 4.598 50 0 HJAARN Cc1cc(C)c2c(=O)cc(C(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)oc2c1 ZINC000028290126 558696552 /nfs/dbraw/zinc/69/65/52/558696552.db2.gz CIPULZXAAOAAFA-LJQANCHMSA-N 0 0 424.928 4.630 50 0 HJAARN Cc1c2ccc(C)cc2oc1C(=O)NC[C@@H](c1ccc(C(C)C)cc1)N1CCOCC1 ZINC000028292449 558698075 /nfs/dbraw/zinc/69/80/75/558698075.db2.gz KHVYRAGRABQOBA-QHCPKHFHSA-N 0 0 420.553 4.976 50 0 HJAARN COc1cccc2cc(C(=O)Nc3ccc(C)c(O)c3)/c(=N/Nc3ccccc3)oc21 ZINC000004551548 558701447 /nfs/dbraw/zinc/70/14/47/558701447.db2.gz NGJLHKSQTBZMCH-PNHLSOANSA-N 0 0 415.449 4.636 50 0 HJAARN COc1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc(OC)c1O ZINC000015016170 558701982 /nfs/dbraw/zinc/70/19/82/558701982.db2.gz XZRWLORIUTVVOV-ZHRRBRCNSA-N 0 0 408.479 4.713 50 0 HJAARN O=C(CCC1CCN(C(=O)c2ccsc2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000015063834 558706453 /nfs/dbraw/zinc/70/64/53/558706453.db2.gz ZVCRIMVFWRIWNB-UHFFFAOYSA-N 0 0 424.610 4.862 50 0 HJAARN Cc1cccc2c1N[C@H](c1cc(Br)ccc1OCc1ccccn1)NC2=O ZINC000028923554 558707209 /nfs/dbraw/zinc/70/72/09/558707209.db2.gz IKLJWDKYSGMYBC-FQEVSTJZSA-N 0 0 424.298 4.586 50 0 HJAARN CCn1cc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2nc3ccccc3n2C)c(C)n1 ZINC000015069817 558711794 /nfs/dbraw/zinc/71/17/94/558711794.db2.gz CGGRLWOFOVQALN-VWLOTQADSA-N 0 0 424.552 4.727 50 0 HJAARN O=C(CCc1nc2ccccc2s1)N1CCC[C@@H](Nc2ccc(F)c(F)c2)C1 ZINC000015070489 558712512 /nfs/dbraw/zinc/71/25/12/558712512.db2.gz XLNSZBKBLJGLHF-OAHLLOKOSA-N 0 0 401.482 4.610 50 0 HJAARN O=C(Nc1cccc(CN2CCCC2=O)c1)c1cc2c(s1)-c1ccccc1CC2 ZINC000029291366 558712902 /nfs/dbraw/zinc/71/29/02/558712902.db2.gz DZSBTBBGORIGCC-UHFFFAOYSA-N 0 0 402.519 4.888 50 0 HJAARN O=C(CCc1nc(-c2cccs2)no1)Nc1nc(-c2c[nH]c3ccccc32)cs1 ZINC000029475945 558715779 /nfs/dbraw/zinc/71/57/79/558715779.db2.gz PYNAXKOKSPUPGV-UHFFFAOYSA-N 0 0 421.507 4.974 50 0 HJAARN COc1ccc(OC)c([C@@H](C)NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1 ZINC000029603472 558717513 /nfs/dbraw/zinc/71/75/13/558717513.db2.gz OEVVWADFZKOHGG-CQSZACIVSA-N 0 0 414.889 4.822 50 0 HJAARN O=C(NCc1cccnc1)NC1(Cc2ccc(Br)cc2)CCCCC1 ZINC000072286678 558717673 /nfs/dbraw/zinc/71/76/73/558717673.db2.gz BXHSYPYIEJUIHQ-UHFFFAOYSA-N 0 0 402.336 4.589 50 0 HJAARN O=C(c1ccc2nc(C3CCCCC3)oc2c1)N1CCCC[C@@H]1CCN1CCCC1=O ZINC000015079280 558718097 /nfs/dbraw/zinc/71/80/97/558718097.db2.gz ZALBNDUIPDOSLB-HXUWFJFHSA-N 0 0 423.557 4.883 50 0 HJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc(CN2CCCCCC2)cs1 ZINC000029635911 558718131 /nfs/dbraw/zinc/71/81/31/558718131.db2.gz BBWLMALAKKPMPG-UHFFFAOYSA-N 0 0 407.967 4.969 50 0 HJAARN COc1cccc([C@H](NC(=O)N[C@@H](C)c2ccc(C(C)C)cc2)c2nccn2C)c1 ZINC000029729883 558719482 /nfs/dbraw/zinc/71/94/82/558719482.db2.gz IDQZIFQJSMUCNN-JTSKRJEESA-N 0 0 406.530 4.702 50 0 HJAARN Cc1ccc(CN2c3ccccc3[C@](O)(CC(=O)c3cc(C)c(C)cc3C)C2=O)cc1 ZINC000004555171 558720557 /nfs/dbraw/zinc/72/05/57/558720557.db2.gz TWMSGINTKKFKMH-HHHXNRCGSA-N 0 0 413.517 4.928 50 0 HJAARN Cc1cnc(NC(=O)c2ccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)cc2)s1 ZINC000029775667 558720666 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558752088 /nfs/dbraw/zinc/75/20/88/558752088.db2.gz DHCPIWUBIPGGAR-KGENOOAVSA-N 0 0 400.409 4.982 50 0 HJAARN Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000109747214 558752665 /nfs/dbraw/zinc/75/26/65/558752665.db2.gz WDOQBDHPMLXUDB-UHFFFAOYSA-N 0 0 421.010 4.544 50 0 HJAARN COc1ccccc1Nc1ncc2c(n1)CCN(Cc1ccc(OC(C)C)cc1)C2 ZINC000015778872 558753117 /nfs/dbraw/zinc/75/31/17/558753117.db2.gz KOTJDKXGRBTAJJ-UHFFFAOYSA-N 0 0 404.514 4.574 50 0 HJAARN Cc1nc(-c2cccs2)sc1C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 ZINC000011083833 558753762 /nfs/dbraw/zinc/75/37/62/558753762.db2.gz NTCRLABTEVUXTR-UHFFFAOYSA-N 0 0 408.552 4.697 50 0 HJAARN Cc1cccc(OCCOc2c(Cl)cc(/C=C3\SC(=N)NC3=O)cc2Cl)c1 ZINC000015800301 558753978 /nfs/dbraw/zinc/75/39/78/558753978.db2.gz LCMSOTZEKDBDNZ-YBEGLDIGSA-N 0 0 423.321 4.898 50 0 HJAARN Cc1ccccc1Nc1nnc(S[C@H](C)C(=O)Nc2ccc(F)c(F)c2)s1 ZINC000015809810 558754199 /nfs/dbraw/zinc/75/41/99/558754199.db2.gz JTZJKSVYYRVDOA-LLVKDONJSA-N 0 0 406.483 4.988 50 0 HJAARN Cc1ccc(NC(=O)[C@H]2CC=CCC2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000015822766 558754776 /nfs/dbraw/zinc/75/47/76/558754776.db2.gz ALFFIRWAVMVFIK-HNNXBMFYSA-N 0 0 404.919 4.744 50 0 HJAARN COc1ccc([C@@H]2CCCN2C(=O)CCC(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000015829362 558754961 /nfs/dbraw/zinc/75/49/61/558754961.db2.gz RFKXPUQKFLGWIO-IBGZPJMESA-N 0 0 401.890 4.684 50 0 HJAARN CCCCOc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c2cccnc12 ZINC000015841087 558756672 /nfs/dbraw/zinc/75/66/72/558756672.db2.gz SCEDZXAIEPXOCH-UHFFFAOYSA-N 0 0 410.470 4.692 50 0 HJAARN Cc1cc(C)cc(OC[C@@H](O)Cn2c(COc3ccccc3)nc3ccccc32)c1 ZINC000015860754 558758382 /nfs/dbraw/zinc/75/83/82/558758382.db2.gz GRNJYSVELFXGPH-FQEVSTJZSA-N 0 0 402.494 4.672 50 0 HJAARN CCSc1nnc2c(n1)O[C@H](c1ccc(CC)cc1)N(C(C)=O)c1ccc(F)cc1-2 ZINC000032997862 558759007 /nfs/dbraw/zinc/75/90/07/558759007.db2.gz UMWPGRHEKDOVFB-OAQYLSRUSA-N 0 0 424.501 4.796 50 0 HJAARN CCOc1ccccc1C(=O)Nc1ccc(OC)c(NC(=O)c2ccc(OC)cc2)c1 ZINC000032998329 558759249 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O=C(CSc1nccn2nc(-c3ccc(F)cc3)cc12)Nc1cc(F)ccc1F ZINC000016841470 558808178 /nfs/dbraw/zinc/80/81/78/558808178.db2.gz KWVAQYDKFPHOCO-UHFFFAOYSA-N 0 0 414.412 4.544 50 0 HJAARN CCc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)cc4)nccn3n2)cc1 ZINC000016841612 558808208 /nfs/dbraw/zinc/80/82/08/558808208.db2.gz VTBYZPRAOGANHS-UHFFFAOYSA-N 0 0 402.523 4.998 50 0 HJAARN CCc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4OC)nccn3n2)cc1 ZINC000016841615 558808235 /nfs/dbraw/zinc/80/82/35/558808235.db2.gz GHDGAHHKSSOWNU-UHFFFAOYSA-N 0 0 418.522 4.698 50 0 HJAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(F)cc3C)C2)c2ccccc12 ZINC000016884436 558808722 /nfs/dbraw/zinc/80/87/22/558808722.db2.gz JIPKGYUQNNHPQW-KRWDZBQOSA-N 0 0 420.484 4.787 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)CSc1nccn2nc(-c3ccccc3)cc12 ZINC000016959562 558810365 /nfs/dbraw/zinc/81/03/65/558810365.db2.gz DPLBJYYIFGKHEN-UHFFFAOYSA-N 0 0 424.913 4.789 50 0 HJAARN O=C(Cn1cnc2c(-c3ccc(F)cc3)csc2c1=O)Nc1cccc(Cl)c1 ZINC000038486518 558811464 /nfs/dbraw/zinc/81/14/64/558811464.db2.gz 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C[C@@H](Oc1cc(Cl)ccc1Cl)C1N=NC(=S)N1c1ccc2c(c1)OCCO2 ZINC000017093789 558822299 /nfs/dbraw/zinc/82/22/99/558822299.db2.gz NMBQUGOGGQBRQK-SNVBAGLBSA-N 0 0 424.309 4.774 50 0 HJAARN Cc1ccc(S(=O)(=O)Oc2c3c(ccc2C)[C@@H]2Cc4ccccc4[C@H]2N3C)cc1 ZINC000017111903 558822666 /nfs/dbraw/zinc/82/26/66/558822666.db2.gz ZSYRDYJPMNKALU-FCHUYYIVSA-N 0 0 405.519 4.902 50 0 HJAARN COc1ccc(-c2nc3cccnc3n2[C@@H]2CCN(C(=O)c3ccc(C)s3)C2)cc1 ZINC000097938673 558825174 /nfs/dbraw/zinc/82/51/74/558825174.db2.gz LITAXYYRVYODQP-QGZVFWFLSA-N 0 0 418.522 4.564 50 0 HJAARN Cc1nn(-c2nc(CC(=O)Nc3cccc(C(F)(F)F)c3)cs2)c(C)c1Cl ZINC000033004479 558827057 /nfs/dbraw/zinc/82/70/57/558827057.db2.gz IBIKAIWHKBNXGK-UHFFFAOYSA-N 0 0 414.840 4.799 50 0 HJAARN CC(=O)Nc1nc2c(cc(NS(=O)(=O)c3ccc(CC(C)C)cc3)cc2C)s1 ZINC000033007787 558828631 /nfs/dbraw/zinc/82/86/31/558828631.db2.gz QGKFWHFVQYNYKQ-UHFFFAOYSA-N 0 0 417.556 4.562 50 0 HJAARN CCc1ccc(NC(=O)CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000033326027 558829037 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CCN(c1ccccc1)S(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)ccc1C ZINC000033173357 558901367 /nfs/dbraw/zinc/90/13/67/558901367.db2.gz FREZJQJVHJKTKA-UHFFFAOYSA-N 0 0 410.417 4.884 50 0 HJAARN O=C(NC1CCCCC1)c1ccc(-c2nc3cccnc3n(C3CCCC3)c2=O)cc1 ZINC000033170435 558903658 /nfs/dbraw/zinc/90/36/58/558903658.db2.gz KIJADVSVHGXKNU-UHFFFAOYSA-N 0 0 416.525 4.636 50 0 HJAARN Cc1ccccc1OCc1nnc(SCc2cccc(Br)c2)n1C ZINC000004698665 558906989 /nfs/dbraw/zinc/90/69/89/558906989.db2.gz VRMFVJHFHSDVNU-UHFFFAOYSA-N 0 0 404.333 4.757 50 0 HJAARN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1cc(-c2ccccc2)no1 ZINC000058177831 558909708 /nfs/dbraw/zinc/90/97/08/558909708.db2.gz ACYIVDQTETVCFA-IBGZPJMESA-N 0 0 405.281 4.995 50 0 HJAARN Cc1ccc(CNc2nc(NCc3ccc(C)cc3)n(C(=O)c3ccccc3)n2)cc1 ZINC000004703238 558912966 /nfs/dbraw/zinc/91/29/66/558912966.db2.gz VWYCMQOSJQLNCX-UHFFFAOYSA-N 0 0 411.509 4.808 50 0 HJAARN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2cccc(OC)c2)cc1 ZINC000004715836 558915291 /nfs/dbraw/zinc/91/52/91/558915291.db2.gz MRGNQPRYOOUDBA-RCZVLFRGSA-N 0 0 416.477 4.955 50 0 HJAARN CC[C@@H](C(=O)Nc1ccc(F)cc1)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251097 558919487 /nfs/dbraw/zinc/91/94/87/558919487.db2.gz PPVKYVCNMCBINZ-INIZCTEOSA-N 0 0 421.394 4.761 50 0 HJAARN CC[C@@H](C(=O)Nc1ccc(C)cc1)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251112 558919499 /nfs/dbraw/zinc/91/94/99/558919499.db2.gz JDOYJGFCSHNJIM-KRWDZBQOSA-N 0 0 417.431 4.930 50 0 HJAARN CC[C@H](C(=O)Nc1ccc(C)cc1)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251113 558919566 /nfs/dbraw/zinc/91/95/66/558919566.db2.gz JDOYJGFCSHNJIM-QGZVFWFLSA-N 0 0 417.431 4.930 50 0 HJAARN CC[C@H](C(=O)Nc1ccccc1)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251187 558919718 /nfs/dbraw/zinc/91/97/18/558919718.db2.gz AHIPUDQWDLFYLT-MRXNPFEDSA-N 0 0 403.404 4.622 50 0 HJAARN O=C(Cn1ccc(=O)c2ccccc21)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000058366503 558922127 /nfs/dbraw/zinc/92/21/27/558922127.db2.gz PRALHVILKWSKHL-UHFFFAOYSA-N 0 0 414.305 4.678 50 0 HJAARN COc1cc(C(=O)N(C)[C@H](c2cccc(F)c2)c2ccccn2)cc(Cl)c1OC ZINC000058367139 558922431 /nfs/dbraw/zinc/92/24/31/558922431.db2.gz NEFOOJWYKNQXDK-HXUWFJFHSA-N 0 0 414.864 4.753 50 0 HJAARN O=C1C[C@H](c2nc(-c3ccc(N4CCCC4)cc3)no2)CN1c1cccc(Cl)c1 ZINC000033255311 558923339 /nfs/dbraw/zinc/92/33/39/558923339.db2.gz ZIPMLQPIAZDEMG-INIZCTEOSA-N 0 0 408.889 4.511 50 0 HJAARN CCC(=O)Nc1ccccc1Sc1c(C)c(C)nc2nc(-c3ccccc3)nn21 ZINC000033257057 558923881 /nfs/dbraw/zinc/92/38/81/558923881.db2.gz PFFWCORUNGOWMP-UHFFFAOYSA-N 0 0 403.511 4.908 50 0 HJAARN Cc1c(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)cccc1N1CCCC1=O ZINC000058394161 558923901 /nfs/dbraw/zinc/92/39/01/558923901.db2.gz CWSWVEUHRGRWRV-UHFFFAOYSA-N 0 0 416.403 4.803 50 0 HJAARN CCCNC(=O)Nc1ccc(-c2noc(Cc3ccccc3Br)n2)cc1 ZINC000033257128 558924105 /nfs/dbraw/zinc/92/41/05/558924105.db2.gz CGHJLOBJKMGKTF-UHFFFAOYSA-N 0 0 415.291 4.621 50 0 HJAARN CC(C)C(=O)Nc1ccc(NC(=O)N[C@H](C)c2cccc(Br)c2)cc1 ZINC000058407186 558924866 /nfs/dbraw/zinc/92/48/66/558924866.db2.gz UNYUOXSTFIZANG-CYBMUJFWSA-N 0 0 404.308 4.926 50 0 HJAARN Cc1nc(-c2ccc(-n3cc(C(=O)Nc4c(C)cc(C)cc4C)c(C)n3)cc2)no1 ZINC000033258485 558925128 /nfs/dbraw/zinc/92/51/28/558925128.db2.gz XXYRNXVNRQQVTI-UHFFFAOYSA-N 0 0 401.470 4.717 50 0 HJAARN Cc1cc(C)nc(Sc2ccc(NC(=O)c3c(Cl)nc4ccccn43)cc2)n1 ZINC000058430562 558926432 /nfs/dbraw/zinc/92/64/32/558926432.db2.gz GDTNCEAQJPJFHJ-UHFFFAOYSA-N 0 0 409.902 4.798 50 0 HJAARN COc1ccc(CNC(=O)c2cccc(Nc3cc(-c4ccccc4)ncn3)c2)cc1 ZINC000033261129 558928059 /nfs/dbraw/zinc/92/80/59/558928059.db2.gz IOPZLKQJULLCOI-UHFFFAOYSA-N 0 0 410.477 4.826 50 0 biogenic HJAARN C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)Cn1ccc(C(F)(F)F)n1)C1CC1 ZINC000058700968 558929369 /nfs/dbraw/zinc/92/93/69/558929369.db2.gz YJEVLILKIGYBLX-NSHDSACASA-N 0 0 405.342 4.673 50 0 HJAARN CC(C)(C)[C@H]1CCc2sc(C(=O)N3CCC[C@H]3C(=O)Nc3nccs3)cc2C1 ZINC000058779516 558930008 /nfs/dbraw/zinc/93/00/08/558930008.db2.gz RYOKLJWBGKMFPV-GJZGRUSLSA-N 0 0 417.600 4.599 50 0 HJAARN CC(C)c1ccc(C(=O)Nc2sccc2C(=O)Nn2cnc3ccccc32)cc1 ZINC000059855224 558939705 /nfs/dbraw/zinc/93/97/05/558939705.db2.gz UKCLMZTVTXVYTD-UHFFFAOYSA-N 0 0 404.495 4.857 50 0 HJAARN Cc1c(C(=O)Nc2ccccc2C)sc2ncn(CCc3ccccc3)c(=O)c12 ZINC000019644888 558947700 /nfs/dbraw/zinc/94/77/00/558947700.db2.gz DGCITZSBLHBFHZ-UHFFFAOYSA-N 0 0 403.507 4.570 50 0 HJAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(C2CCCCC2)C3=O)o1 ZINC000021810859 558953462 /nfs/dbraw/zinc/95/34/62/558953462.db2.gz SOEOBJKJQMLGKD-DEOSSOPVSA-N 0 0 411.546 4.539 50 0 HJAARN Cc1ccccc1N1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021810927 558953488 /nfs/dbraw/zinc/95/34/88/558953488.db2.gz RWGQVWGQXIBEDY-YKLWYRCFSA-N 0 0 419.525 4.657 50 0 HJAARN Cc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCC(C)CC2)cc1 ZINC000021811001 558953700 /nfs/dbraw/zinc/95/37/00/558953700.db2.gz HRYXHJDEDIPBEW-SZXMBJESSA-N 0 0 419.525 4.657 50 0 HJAARN Cc1cccc(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccccc4n3)c2)c1 ZINC000033067813 558957623 /nfs/dbraw/zinc/95/76/23/558957623.db2.gz IJYQTCIOPUTGDS-UHFFFAOYSA-N 0 0 414.465 4.534 50 0 HJAARN COc1cc([C@H]2CC(=O)Nc3c2cnn3Cc2cccs2)ccc1OC(F)F ZINC000072403055 558958283 /nfs/dbraw/zinc/95/82/83/558958283.db2.gz MCKFCZNXEFVARF-CYBMUJFWSA-N 0 0 405.426 4.727 50 0 HJAARN CC[C@@H]1CCCCN1S(=O)(=O)c1cc(-c2nc(-c3ccccc3)no2)sc1C ZINC000064450466 558963308 /nfs/dbraw/zinc/96/33/08/558963308.db2.gz TUVXEWRVCIWRPR-MRXNPFEDSA-N 0 0 417.556 4.727 50 0 HJAARN CC[C@H]1CCCCN1S(=O)(=O)c1cc(-c2nc(-c3ccccc3)no2)sc1C ZINC000064450467 558963364 /nfs/dbraw/zinc/96/33/64/558963364.db2.gz TUVXEWRVCIWRPR-INIZCTEOSA-N 0 0 417.556 4.727 50 0 HJAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccsc32)C(=O)N1Cc1ccccc1 ZINC000064662169 558965021 /nfs/dbraw/zinc/96/50/21/558965021.db2.gz LSQSEQLKQNMJAD-XMMPIXPASA-N 0 0 421.566 4.566 50 0 HJAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccsc32)C(=O)N1Cc1ccccc1 ZINC000064662172 558965131 /nfs/dbraw/zinc/96/51/31/558965131.db2.gz LSQSEQLKQNMJAD-DEOSSOPVSA-N 0 0 421.566 4.566 50 0 HJAARN CCOc1ccc(NC(=O)c2ccc3oc(=O)n(Cc4ccc(C)cc4)c3c2)cc1 ZINC000064894467 558967212 /nfs/dbraw/zinc/96/72/12/558967212.db2.gz FBKBQKVVOYUCHB-UHFFFAOYSA-N 0 0 402.450 4.602 50 0 HJAARN Cc1ccc(Cc2nc3ccccc3nc2S[C@H](C)C(=O)NCc2ccco2)cc1 ZINC000033068739 558967508 /nfs/dbraw/zinc/96/75/08/558967508.db2.gz TVPRKIDVTBUYPS-QGZVFWFLSA-N 0 0 417.534 4.919 50 0 HJAARN CC(=O)N(c1nc(/C=C\C(=O)N2c3ccccc3C[C@H]2C)cs1)c1ccccc1 ZINC000096551421 558977427 /nfs/dbraw/zinc/97/74/27/558977427.db2.gz JELQLWPNWCZALM-BFFYNSAMSA-N 0 0 403.507 4.819 50 0 HJAARN C[C@@H]1CN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)C[C@H](C)O1 ZINC000072430434 558979405 /nfs/dbraw/zinc/97/94/05/558979405.db2.gz QNXOPYVCGXDNQF-KDURUIRLSA-N 0 0 401.510 4.954 50 0 HJAARN CN1c2ccc(C(=S)N3CCOCC3)cc2-c2c(=S)ssc2C1(C)C ZINC000334160340 558980591 /nfs/dbraw/zinc/98/05/91/558980591.db2.gz BHXYEYYKYSVFDW-UHFFFAOYSA-N 0 0 408.639 4.899 50 0 HJAARN COc1ccc(OC)c2nc(-c3cccc(C)c3)c(CN(C)Cc3ccno3)cc12 ZINC000072476447 558983830 /nfs/dbraw/zinc/98/38/30/558983830.db2.gz LBVWDRBRIPANLK-UHFFFAOYSA-N 0 0 403.482 4.847 50 0 HJAARN CCc1ccc(OCC(=O)NCc2ccc(-c3nc4cc(OC)ccc4o3)cc2)cc1 ZINC000067207108 558985855 /nfs/dbraw/zinc/98/58/55/558985855.db2.gz YVBAKYYJFKBNNR-UHFFFAOYSA-N 0 0 416.477 4.761 50 0 HJAARN O=C(Nc1ccc2c(c1)CCC2)N1CC[C@@H](n2c(-c3ccco3)nc3cccnc32)C1 ZINC000097086883 558991026 /nfs/dbraw/zinc/99/10/26/558991026.db2.gz BZDGRNHPSFJNLV-LJQANCHMSA-N 0 0 413.481 4.659 50 0 HJAARN C[C@H](c1ccc(-c2ccc3nc(C4CC4)cc(C(=O)[O-])c3c2)cc1)[NH+]1CCOCC1 ZINC000067694808 558991707 /nfs/dbraw/zinc/99/17/07/558991707.db2.gz HDJXAHZWPRZDLC-MRXNPFEDSA-N 0 0 402.494 4.871 50 0 HJAARN Oc1cc(-c2nc3ccccc3s2)cc2c1OCCN(CCc1ccccn1)C2 ZINC000067804266 558993217 /nfs/dbraw/zinc/99/32/17/558993217.db2.gz SPSZCSVOOOZUMV-UHFFFAOYSA-N 0 0 403.507 4.501 50 0 HJAARN Cc1n[nH]c(C)c1-c1c(-c2ccccc2)ncn1CC(=O)Nc1cc(F)ccc1C ZINC000067850850 558993809 /nfs/dbraw/zinc/99/38/09/558993809.db2.gz VDFMMEBOKADMNM-UHFFFAOYSA-N 0 0 403.461 4.643 50 0 HJAARN CC(=O)N1N=C(c2cccc(C)c2)C[C@@H]1c1cc2cc3c(cc2nc1Cl)OCO3 ZINC000097105699 558994056 /nfs/dbraw/zinc/99/40/56/558994056.db2.gz XJEXGSOYTVUNLK-LJQANCHMSA-N 0 0 407.857 4.623 50 0 HJAARN CCCn1c([C@H]2CCN(C(=O)Nc3ccc(F)c(Cl)c3)C2)nc2cccnc21 ZINC000097151626 558997366 /nfs/dbraw/zinc/99/73/66/558997366.db2.gz SUYQAGPYNNVXOM-ZDUSSCGKSA-N 0 0 401.873 4.655 50 0 HJAARN O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Br)cc1 ZINC000001185375 558998806 /nfs/dbraw/zinc/99/88/06/558998806.db2.gz UGXMFHNMZVLEPT-UHFFFAOYSA-N 0 0 414.630 4.922 50 0 HJAARN O=C(Cc1ccccc1Cl)NC1(c2nc(-c3ccsc3)no2)CCCCC1 ZINC000077197550 558999793 /nfs/dbraw/zinc/99/97/93/558999793.db2.gz CYWDAILTUXKLCT-UHFFFAOYSA-N 0 0 401.919 4.970 50 0 HJAARN O=C(/C=C\C1=Cc2cc(Cl)ccc2OC1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000096924991 559012960 /nfs/dbraw/zinc/01/29/60/559012960.db2.gz HWRHAWKNUIPOND-FAVGBFPBSA-N 0 0 423.896 4.807 50 0 HJAARN C[C@@H](Sc1n[nH]c(C=Cc2ccc(F)cc2)n1)C(=O)Nc1ccc(F)c(F)c1F ZINC000096942190 559015049 /nfs/dbraw/zinc/01/50/49/559015049.db2.gz OMMCMRRSKBUPEY-ZUYFITGHSA-N 0 0 422.407 4.651 50 0 HJAARN C[C@@H](NC(=O)Cc1cc(=O)[nH]c(SCc2cccc(Cl)c2)n1)c1ccccc1 ZINC000023138289 559019769 /nfs/dbraw/zinc/01/97/69/559019769.db2.gz OTMGMEYZMOLEJO-CQSZACIVSA-N 0 0 413.930 4.548 50 0 HJAARN O=C(Cc1cc(=O)[nH]c(SCc2cccc(Cl)c2)n1)NCCC1=CCCCC1 ZINC000023138277 559019815 /nfs/dbraw/zinc/01/98/15/559019815.db2.gz QSDUTLAYKROJTK-UHFFFAOYSA-N 0 0 417.962 4.677 50 0 HJAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(C)c(C)c3)sc2c1 ZINC000033271649 559033100 /nfs/dbraw/zinc/03/31/00/559033100.db2.gz ZWHKGOKBRXRQKP-KRWDZBQOSA-N 0 0 418.522 4.890 50 0 HJAARN Cc1ccccc1NC(=O)c1nc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000033271774 559033104 /nfs/dbraw/zinc/03/31/04/559033104.db2.gz VUJYSLGAGVGOQF-UHFFFAOYSA-N 0 0 415.350 4.510 50 0 HJAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cccc(C)c3)sc2c1 ZINC000033271667 559033130 /nfs/dbraw/zinc/03/31/30/559033130.db2.gz VHUHCRYIWCSEQV-KRWDZBQOSA-N 0 0 418.522 4.972 50 0 HJAARN Cc1ccc(Nc2c(-c3ccc(N4CCOCC4)cc3)nc3ncccn32)cc1Cl ZINC000004734044 559033828 /nfs/dbraw/zinc/03/38/28/559033828.db2.gz QCWAGGVOJCKNNV-UHFFFAOYSA-N 0 0 419.916 4.938 50 0 HJAARN Cn1cc([C@H]2c3ccccc3C(=O)N2CC(=O)Nc2ccc(F)cc2)c2ccccc21 ZINC000004734647 559034122 /nfs/dbraw/zinc/03/41/22/559034122.db2.gz BEWCLQFVYXTSRC-XMMPIXPASA-N 0 0 413.452 4.501 50 0 HJAARN CCCc1oc2cc(C)c(NS(=O)(=O)c3ccccc3)cc2c1C(=O)OCC ZINC000004735810 559034990 /nfs/dbraw/zinc/03/49/90/559034990.db2.gz CGMUSUUEXXCZDF-UHFFFAOYSA-N 0 0 401.484 4.671 50 0 HJAARN Cc1nc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3F)n2C(C)C)sc1C ZINC000004736143 559035348 /nfs/dbraw/zinc/03/53/48/559035348.db2.gz SWKREIXJJIWDCG-CYBMUJFWSA-N 0 0 419.551 4.858 50 0 HJAARN CCn1c(COc2ccccc2C(C)C)nnc1SCC(=O)NC1CCCCC1 ZINC000004736378 559035736 /nfs/dbraw/zinc/03/57/36/559035736.db2.gz IWWCTAJQADVFSX-UHFFFAOYSA-N 0 0 416.591 4.541 50 0 HJAARN O=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000033278966 559042415 /nfs/dbraw/zinc/04/24/15/559042415.db2.gz POKGSOQWDDILOT-UHFFFAOYSA-N 0 0 403.369 4.524 50 0 HJAARN O=C(CSc1nccnc1Sc1ccccc1)NCc1ccc(F)cc1Cl ZINC000033288914 559044443 /nfs/dbraw/zinc/04/44/43/559044443.db2.gz CXRFUVJYFDOJRZ-UHFFFAOYSA-N 0 0 419.934 4.829 50 0 HJAARN Cc1ccc(Oc2nccnc2N2CCC[C@H](C(=O)Nc3ccc(F)cc3C)C2)cc1 ZINC000033289112 559044541 /nfs/dbraw/zinc/04/45/41/559044541.db2.gz KCCRFGKVQWMTOX-SFHVURJKSA-N 0 0 420.488 4.880 50 0 HJAARN Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)NCc3ccc(F)cc3)c(C)c21 ZINC000004744382 559046312 /nfs/dbraw/zinc/04/63/12/559046312.db2.gz YHEXGYSMJBTIHV-UHFFFAOYSA-N 0 0 407.441 4.771 50 0 HJAARN Cc1ccccc1CNS(=O)(=O)c1cc(-c2nc(CC(C)C)cs2)cs1 ZINC000033297753 559047617 /nfs/dbraw/zinc/04/76/17/559047617.db2.gz SLGOYQGXRSRGSJ-UHFFFAOYSA-N 0 0 406.598 4.857 50 0 HJAARN Cc1nc(-c2csc(S(=O)(=O)NCc3ccc(F)cc3Cl)c2)sc1C ZINC000033297664 559047624 /nfs/dbraw/zinc/04/76/24/559047624.db2.gz RBGRPRIJEBEWHL-UHFFFAOYSA-N 0 0 416.952 4.759 50 0 HJAARN CCn1cccc1-c1nc(C)c(C(=O)N2CCN(c3cccc(C)c3)[C@H](C)C2)s1 ZINC000033293235 559048545 /nfs/dbraw/zinc/04/85/45/559048545.db2.gz GJRBAGIGSBEUSC-QGZVFWFLSA-N 0 0 408.571 4.599 50 0 HJAARN Cc1c(-c2nsc(Nc3ccc(Cl)cc3)n2)nnn1-c1cc(F)ccc1F ZINC000033302149 559051185 /nfs/dbraw/zinc/05/11/85/559051185.db2.gz ZBYNPQLKBGMNLA-UHFFFAOYSA-N 0 0 404.833 4.769 50 0 HJAARN O=C(Nc1cccc(OCc2nnc(-c3ccccc3)o2)c1)c1ccnc(Cl)c1 ZINC000033307272 559051964 /nfs/dbraw/zinc/05/19/64/559051964.db2.gz FGZVXGCRXKTGBA-UHFFFAOYSA-N 0 0 406.829 4.616 50 0 HJAARN C[C@H](Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)C(=O)Nc1ncccn1 ZINC000011329256 559053125 /nfs/dbraw/zinc/05/31/25/559053125.db2.gz MIKUHBGBBLNIHN-AWEZNQCLSA-N 0 0 423.929 4.647 50 0 HJAARN O=C(NC1CCCCCCC1)C1CCN(c2cc(Oc3ccccc3)ncn2)CC1 ZINC000033311947 559054441 /nfs/dbraw/zinc/05/44/41/559054441.db2.gz ZAMADCSVSLBTNQ-UHFFFAOYSA-N 0 0 408.546 4.714 50 0 HJAARN O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc(F)cc1F ZINC000011339742 559056428 /nfs/dbraw/zinc/05/64/28/559056428.db2.gz QUUKBKMSZCHDHJ-UHFFFAOYSA-N 0 0 403.432 4.807 50 0 HJAARN COc1ccc(Br)c(C(=O)NC[C@H](c2ccco2)c2cccs2)c1 ZINC000585146763 559057380 /nfs/dbraw/zinc/05/73/80/559057380.db2.gz MVYVKBGCLWUNLY-CQSZACIVSA-N 0 0 406.301 4.674 50 0 HJAARN Cc1ccccc1NC(=O)COc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1 ZINC000033327324 559059974 /nfs/dbraw/zinc/05/99/74/559059974.db2.gz FXMHUICAVVTISD-UHFFFAOYSA-N 0 0 403.413 4.869 50 0 HJAARN Cc1cccc(NC(=O)COc2cccc(-c3noc(-c4ccc(F)cc4)n3)c2)c1 ZINC000033327323 559059975 /nfs/dbraw/zinc/05/99/75/559059975.db2.gz DCYMJJKVKQUDBJ-UHFFFAOYSA-N 0 0 403.413 4.869 50 0 HJAARN COc1ccccc1NC(=O)COc1cccc(-c2noc(-c3ccccc3C)n2)c1 ZINC000033327284 559060107 /nfs/dbraw/zinc/06/01/07/559060107.db2.gz MYFHQFQKPADESS-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN O=C(NC1CCCCC1)c1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000098064866 559062698 /nfs/dbraw/zinc/06/26/98/559062698.db2.gz HDEYYFJHKTUJBU-CCEZHUSRSA-N 0 0 418.946 4.815 50 0 HJAARN CCOc1ccccc1[C@H]1C(C(=O)N(CC)CC)=C(C)Nc2nc3ccccc3n21 ZINC000004787053 559064096 /nfs/dbraw/zinc/06/40/96/559064096.db2.gz WHEIVRRSGSTEQW-QFIPXVFZSA-N 0 0 404.514 4.592 50 0 HJAARN CCC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C1CCCCC1 ZINC000004796443 559066365 /nfs/dbraw/zinc/06/63/65/559066365.db2.gz JTAZORNJACMMLW-UHFFFAOYSA-N 0 0 410.558 4.731 50 0 HJAARN O=C(CSc1nnc(-c2cc3ccccc3o2)n1-c1ccccc1)N1CCCCC1 ZINC000011410978 559072498 /nfs/dbraw/zinc/07/24/98/559072498.db2.gz NGEOEESMHMPTTF-UHFFFAOYSA-N 0 0 418.522 4.785 50 0 HJAARN O=C(Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1cccc(C(F)(F)F)c1 ZINC000011451205 559076898 /nfs/dbraw/zinc/07/68/98/559076898.db2.gz VJFWODTWDSWPPJ-UHFFFAOYSA-N 0 0 417.412 4.966 50 0 HJAARN CC[S@@](=O)c1nc(-c2cccc(OCc3ccccc3)c2)cc(C(F)(F)F)n1 ZINC000095099975 559079270 /nfs/dbraw/zinc/07/92/70/559079270.db2.gz NTDFYGSSDDMNHI-NDEPHWFRSA-N 0 0 406.429 4.869 50 0 in-vitro HJAARN Cc1cc2c(cc1C)CN(c1cccc(C(=O)N3CCC[C@H](c4ncc[nH]4)C3)c1)C2 ZINC000095520133 559085073 /nfs/dbraw/zinc/08/50/73/559085073.db2.gz ZJJZQXWKFXOWMY-FQEVSTJZSA-N 0 0 400.526 4.567 50 0 HJAARN CCCCn1c2[nH]c(=S)nnc2c2cc(Br)cc(Br)c21 ZINC000096319326 559109958 /nfs/dbraw/zinc/10/99/58/559109958.db2.gz JFEAVBFHDGUDMC-UHFFFAOYSA-N 0 0 416.142 4.593 50 0 HJAARN CC(C)Oc1ccc(-c2noc(-c3nn(-c4ccccc4)c(=O)c4ccccc43)n2)cc1 ZINC000096511503 559111076 /nfs/dbraw/zinc/11/10/76/559111076.db2.gz HMYACTCBNVHINB-UHFFFAOYSA-N 0 0 424.460 4.890 50 0 HJAARN CCCC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@H]1c1ccc(OC)cc1 ZINC000004816703 559114323 /nfs/dbraw/zinc/11/43/23/559114323.db2.gz JWDFMWRRUKCZLV-PMACEKPBSA-N 0 0 410.905 4.808 50 0 HJAARN Cc1ccc(NC(=O)CSCc2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1 ZINC000004818280 559115324 /nfs/dbraw/zinc/11/53/24/559115324.db2.gz NFOLZESGKORPCE-UHFFFAOYSA-N 0 0 415.518 4.974 50 0 HJAARN Cc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)cc1 ZINC000023314247 559115870 /nfs/dbraw/zinc/11/58/70/559115870.db2.gz SPOABIBBNIGJLC-BKMJKUGQSA-N 0 0 414.549 4.696 50 0 HJAARN CCCOCCCNC(=O)c1ccc(-c2[nH]nc3c2CCCc2ccccc2-3)cc1 ZINC000023318228 559117700 /nfs/dbraw/zinc/11/77/00/559117700.db2.gz AWFVCXLSWMQELK-UHFFFAOYSA-N 0 0 403.526 4.779 50 0 HJAARN COc1ccc(NC(C)=O)cc1NC(=O)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000011659017 559123966 /nfs/dbraw/zinc/12/39/66/559123966.db2.gz PENMIFDCXWKBPV-UHFFFAOYSA-N 0 0 415.902 4.991 50 0 HJAARN O=C(Cc1ccc(F)cc1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023319982 559125849 /nfs/dbraw/zinc/12/58/49/559125849.db2.gz ZISROHJEUGYEBR-VWLOTQADSA-N 0 0 422.931 4.955 50 0 HJAARN CCOc1cc(C[C@@H]2c3ccccc3N(CC)C2=O)c(Br)cc1OC ZINC000101013873 559142715 /nfs/dbraw/zinc/14/27/15/559142715.db2.gz NSNHFDLJQCGXFD-OAHLLOKOSA-N 0 0 404.304 4.549 50 0 HJAARN FC(F)Oc1cc(Cl)ccc1C1=Nc2nnnn2[C@@H](c2ccc(Cl)cc2)C1 ZINC000101185538 559143887 /nfs/dbraw/zinc/14/38/87/559143887.db2.gz FNHFTJUDMKUTLR-CQSZACIVSA-N 0 0 410.211 4.637 50 0 HJAARN O=C(Oc1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1)c1ccc(Cl)cc1Cl ZINC000101326276 559146487 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COc1cccc(NC(=O)[C@@H](Sc2nnc(-c3ccco3)o2)c2ccccc2)c1 ZINC000004828216 559155437 /nfs/dbraw/zinc/15/54/37/559155437.db2.gz DANFJHICZDSWJH-SFHVURJKSA-N 0 0 407.451 4.810 50 0 HJAARN O=C(CSc1nnc(-c2ccco2)o1)NCCC(c1ccccc1)c1ccccc1 ZINC000004828268 559155456 /nfs/dbraw/zinc/15/54/56/559155456.db2.gz RJHVJLAZHDRHDU-UHFFFAOYSA-N 0 0 419.506 4.760 50 0 HJAARN Cc1cccc(Nc2nnc(SCC(=O)N[C@@H]3CCCc4ccccc43)s2)c1 ZINC000004838069 559166516 /nfs/dbraw/zinc/16/65/16/559166516.db2.gz ATQKOJIADFDWOK-GOSISDBHSA-N 0 0 410.568 4.876 50 0 HJAARN O=C(N[C@H]1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1ccc(Cl)cc1 ZINC000263639664 559167681 /nfs/dbraw/zinc/16/76/81/559167681.db2.gz CKKOYSKULNBXSA-AWEZNQCLSA-N 0 0 418.246 4.806 50 0 HJAARN Cc1nn(-c2nc(C)c(C(=O)N3CCCC3)s2)c(C)c1Cc1ccc(Cl)cc1 ZINC000014608893 559170808 /nfs/dbraw/zinc/17/08/08/559170808.db2.gz WQAXVBHYCCVOCW-UHFFFAOYSA-N 0 0 414.962 4.734 50 0 HJAARN CCOC(=O)c1cc(-c2ccccc2C)n(-c2ccc(C(=O)NC3CCCC3)cc2)n1 ZINC000023335512 559172212 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CCCCOc1ccc(-c2n[nH]cc2C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1 ZINC000072328673 559176858 /nfs/dbraw/zinc/17/68/58/559176858.db2.gz DBUUDRFOFFQWEW-UHFFFAOYSA-N 0 0 418.541 4.526 50 0 HJAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC=C1N=C(c2ccco2)OC1=O ZINC000100209413 559177563 /nfs/dbraw/zinc/17/75/63/559177563.db2.gz DJCJGWRKBJJGHG-WJDWOHSUSA-N 0 0 422.462 4.750 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H](Cc1ccccc1)NC(=O)C1CCCCC1 ZINC000050037723 559178395 /nfs/dbraw/zinc/17/83/95/559178395.db2.gz RUYKWNYEIZVJCA-FQEVSTJZSA-N 0 0 418.459 4.952 50 0 HJAARN CCCn1c(SCC(=O)Nc2ccc(C)cc2)nc2c3ccccc3oc2c1=O ZINC000004852695 559191498 /nfs/dbraw/zinc/19/14/98/559191498.db2.gz TXJQCLUGEQUJCS-UHFFFAOYSA-N 0 0 407.495 4.592 50 0 HJAARN C[C@@H](NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc21)c1ccc(F)cc1 ZINC000004871089 559194293 /nfs/dbraw/zinc/19/42/93/559194293.db2.gz VOQSNSUTTQQIFN-OAHLLOKOSA-N 0 0 418.424 4.668 50 0 HJAARN CCOc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000004882009 559197120 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568424819 /nfs/dbraw/zinc/42/48/19/568424819.db2.gz CROGVJAHWXQMOZ-CQSZACIVSA-N 0 0 410.823 4.850 50 0 HJAARN O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000046043796 568424840 /nfs/dbraw/zinc/42/48/40/568424840.db2.gz CROGVJAHWXQMOZ-AWEZNQCLSA-N 0 0 410.823 4.850 50 0 HJAARN CCc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)Cc2cccc3ccccc32)C1 ZINC000046045071 568425061 /nfs/dbraw/zinc/42/50/61/568425061.db2.gz NJSVSLDMWGNZOY-JOCHJYFZSA-N 0 0 400.522 4.822 50 0 HJAARN O=C(Cc1cccc2ccccc21)N1CCC[C@@H](C(=O)Nc2ccc(F)cc2F)C1 ZINC000046045050 568425070 /nfs/dbraw/zinc/42/50/70/568425070.db2.gz KLYKWVUHJMXLIP-GOSISDBHSA-N 0 0 408.448 4.538 50 0 HJAARN CCOC(=O)c1[nH]c(C)c(CCC(=O)Nc2ccccc2C(=O)c2ccccc2)c1C ZINC000046045847 568425241 /nfs/dbraw/zinc/42/52/41/568425241.db2.gz ICNVDXKEJGZYHB-UHFFFAOYSA-N 0 0 418.493 4.611 50 0 HJAARN Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](C(=O)c1ccc(C)cc1)CC(=O)N2 ZINC000046056975 568425995 /nfs/dbraw/zinc/42/59/95/568425995.db2.gz GIDFLOYRMILZOY-QGZVFWFLSA-N 0 0 424.298 4.560 50 0 HJAARN Cc1nn(-c2ccc(F)cc2F)c2c1[C@@H](C(=O)c1ccc(C(C)C)cc1)CC(=O)N2 ZINC000046057211 568426011 /nfs/dbraw/zinc/42/60/11/568426011.db2.gz ONGFGEKFPKGRDN-KRWDZBQOSA-N 0 0 409.436 4.891 50 0 HJAARN CCCOc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(C)c2)cc1 ZINC000046056815 568426054 /nfs/dbraw/zinc/42/60/54/568426054.db2.gz LEKHHVYCFWCJIC-OAQYLSRUSA-N 0 0 417.509 4.895 50 0 HJAARN CCN(c1ccc2sc(C(=O)Nc3cc(C)cc(C)c3)cc2c1)S(C)(=O)=O ZINC000046058185 568426333 /nfs/dbraw/zinc/42/63/33/568426333.db2.gz KVCWVKFXHNUXLJ-UHFFFAOYSA-N 0 0 402.541 4.556 50 0 HJAARN Cc1ccc2c(c1)Oc1ccc(S(=O)(=O)N(C)c3cc(C)ccc3C)cc1C(=O)N2 ZINC000046077623 568427394 /nfs/dbraw/zinc/42/73/94/568427394.db2.gz JIDPIYATANNDOH-UHFFFAOYSA-N 0 0 422.506 4.795 50 0 HJAARN Cc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)C(=O)Nc2ccc(C)cc2O3)c(C)c1 ZINC000046077617 568427398 /nfs/dbraw/zinc/42/73/98/568427398.db2.gz METWSSBMNOWLQQ-UHFFFAOYSA-N 0 0 422.506 4.795 50 0 HJAARN CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)C(=O)Nc1cc(Cl)ccc1O2 ZINC000046077637 568427496 /nfs/dbraw/zinc/42/74/96/568427496.db2.gz HWPJXPJODFBBBZ-UHFFFAOYSA-N 0 0 420.918 4.651 50 0 HJAARN COc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(C)cc1 ZINC000046078573 568427520 /nfs/dbraw/zinc/42/75/20/568427520.db2.gz RZYGLFHONFNCJW-UHFFFAOYSA-N 0 0 400.478 4.849 50 0 HJAARN COc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(C)cc2)c1 ZINC000046078575 568427531 /nfs/dbraw/zinc/42/75/31/568427531.db2.gz GHAWVDUEQPGZMO-UHFFFAOYSA-N 0 0 400.478 4.849 50 0 HJAARN COc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(C)c2)cc1 ZINC000046078700 568427552 /nfs/dbraw/zinc/42/75/52/568427552.db2.gz UQWLPFDLRNPFDQ-UHFFFAOYSA-N 0 0 400.478 4.849 50 0 HJAARN CC(C)c1cccc(C(C)C)c1NC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000047698806 568430870 /nfs/dbraw/zinc/43/08/70/568430870.db2.gz NXSKLHGGPDMNCG-UHFFFAOYSA-N 0 0 417.575 4.505 50 0 HJAARN O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccccc1OC[C@@H]1CCCO1 ZINC000048234613 568432558 /nfs/dbraw/zinc/43/25/58/568432558.db2.gz JQAXQXYWJQHUMF-YJBOKZPZSA-N 0 0 403.931 4.865 50 0 HJAARN O=C(Nc1nc(-c2ccco2)cs1)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000048234730 568432673 /nfs/dbraw/zinc/43/26/73/568432673.db2.gz KWXKMJBXTGBQRF-GFCCVEGCSA-N 0 0 422.432 4.672 50 0 HJAARN C[C@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)o1 ZINC000048260990 568433619 /nfs/dbraw/zinc/43/36/19/568433619.db2.gz XQIREKVYCABCFS-KSSFIOAISA-N 0 0 401.453 4.735 50 0 HJAARN Cc1cc(-c2cc(C(=O)N[C@@H](C)c3ccccn3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000048272713 568434100 /nfs/dbraw/zinc/43/41/00/568434100.db2.gz CLPRRBASBBHDTM-HNNXBMFYSA-N 0 0 403.486 4.775 50 0 HJAARN CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)c2cc3ccc(Cl)cc3[nH]2)cc1 ZINC000048324598 568438404 /nfs/dbraw/zinc/43/84/04/568438404.db2.gz MLZGAWNWVIFHHO-UHFFFAOYSA-N 0 0 421.884 4.617 50 0 HJAARN Cc1oc(-c2ccccc2)nc1C(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000048312756 568439018 /nfs/dbraw/zinc/43/90/18/568439018.db2.gz HLKVLLWANYFECA-OAQYLSRUSA-N 0 0 406.482 4.938 50 0 HJAARN O=C(CCC(=O)c1cccs1)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000048326243 568439121 /nfs/dbraw/zinc/43/91/21/568439121.db2.gz JTQGXWBDDKTUTC-UHFFFAOYSA-N 0 0 401.557 4.669 50 0 HJAARN CCc1ccc(-c2nn(CN(C)Cc3ccc(Br)o3)c(=S)[nH]2)cc1 ZINC000048340420 568440251 /nfs/dbraw/zinc/44/02/51/568440251.db2.gz CPAJGMRTHCQAOO-UHFFFAOYSA-N 0 0 407.337 4.615 50 0 HJAARN CN(C)c1ccc(CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)cc1 ZINC000048340184 568440298 /nfs/dbraw/zinc/44/02/98/568440298.db2.gz JFUDETYNVDKMLD-KRWDZBQOSA-N 0 0 400.573 4.544 50 0 HJAARN Cc1occc1C(=O)Nc1nc(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cs1 ZINC000048344712 568440887 /nfs/dbraw/zinc/44/08/87/568440887.db2.gz QKZCSOKEWYNLRV-CQSZACIVSA-N 0 0 423.538 4.596 50 0 HJAARN Cc1sc2ncnc(N3CCC(C(=O)N(C)c4cccc(C)c4C)CC3)c2c1C ZINC000048374088 568442163 /nfs/dbraw/zinc/44/21/63/568442163.db2.gz PLUFYPCHDXFDCF-UHFFFAOYSA-N 0 0 408.571 4.804 50 0 HJAARN COc1cc(Nc2c(C(=O)N3CCCC[C@H]3C)cnc3nc(C)ccc32)cc(OC)c1 ZINC000049005286 568444438 /nfs/dbraw/zinc/44/44/38/568444438.db2.gz UTOJYQDCZYYWLQ-MRXNPFEDSA-N 0 0 420.513 4.714 50 0 HJAARN Cc1cc(F)ccc1NC(=O)CSc1cc(NCc2ccccc2Cl)ncn1 ZINC000049006713 568444908 /nfs/dbraw/zinc/44/49/08/568444908.db2.gz BDKCGNCYXDSXKD-UHFFFAOYSA-N 0 0 416.909 4.920 50 0 HJAARN Cc1ccc(-c2noc(C3CCN(CC(=O)Nc4cccc(Cl)c4C)CC3)n2)cc1 ZINC000049403304 568448222 /nfs/dbraw/zinc/44/82/22/568448222.db2.gz UFOKZBIOFMLPNQ-UHFFFAOYSA-N 0 0 424.932 4.825 50 0 HJAARN COc1ccc2nc(OC3CCN(C(=O)c4ccccc4Cl)CC3)sc2c1 ZINC000049434222 568451081 /nfs/dbraw/zinc/45/10/81/568451081.db2.gz AKSJVZCLQHBDRI-UHFFFAOYSA-N 0 0 402.903 4.642 50 0 HJAARN O=C(Nc1ccc(F)cc1C(=O)N1CCC(Cc2ccccc2)CC1)N1CCCC1 ZINC000049543856 568451208 /nfs/dbraw/zinc/45/12/08/568451208.db2.gz YRYBYNFKUCBWTI-UHFFFAOYSA-N 0 0 409.505 4.548 50 0 HJAARN CCc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)C12CCCCC2 ZINC000049545600 568451383 /nfs/dbraw/zinc/45/13/83/568451383.db2.gz WKICFQMMHXPUTN-QHCPKHFHSA-N 0 0 420.553 4.776 50 0 HJAARN O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)c1ccc2ncsc2c1 ZINC000049509502 568452303 /nfs/dbraw/zinc/45/23/03/568452303.db2.gz BTFIIIZVRVKTPO-UHFFFAOYSA-N 0 0 405.504 4.813 50 0 HJAARN COC(=O)/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1)c1ccccn1 ZINC000049604862 568452555 /nfs/dbraw/zinc/45/25/55/568452555.db2.gz MRSQCJYOHUQJCZ-CJLVFECKSA-N 0 0 411.461 4.657 50 0 HJAARN COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCc3ccccc3)o2)cc1 ZINC000000635365 568456600 /nfs/dbraw/zinc/45/66/00/568456600.db2.gz AWPIHISZDNFYJI-UHFFFAOYSA-N 0 0 420.490 4.795 50 0 HJAARN CCCCCCNC(=O)CCc1c(C)nc2cc(-c3ccccc3OC)nn2c1C ZINC000006772646 568459185 /nfs/dbraw/zinc/45/91/85/568459185.db2.gz SNCCAXWRZSIQRY-UHFFFAOYSA-N 0 0 408.546 4.651 50 0 HJAARN COc1ccc(Sc2nc3ccc(C(=O)c4ccccc4)cc3n3cnnc23)cc1 ZINC000006792274 568459430 /nfs/dbraw/zinc/45/94/30/568459430.db2.gz GJPIRGOQADTVKW-UHFFFAOYSA-N 0 0 412.474 4.668 50 0 HJAARN COc1ccc(-c2ccc3c(N)c(C(=O)c4ccc5c(c4)OCCO5)sc3n2)cc1 ZINC000000663270 568460310 /nfs/dbraw/zinc/46/03/10/568460310.db2.gz XXOUUNMLJVBDTI-UHFFFAOYSA-N 0 0 418.474 4.556 50 0 HJAARN Nc1c2cc3c(nc2sc1C(=O)Nc1ccc(OC(F)(F)F)cc1)CCCC3 ZINC000000663229 568460353 /nfs/dbraw/zinc/46/03/53/568460353.db2.gz NFRWKBKYUMLORD-UHFFFAOYSA-N 0 0 407.417 4.908 50 0 HJAARN COc1ccc(Br)cc1/C=C1/C(=O)Nc2ccc(Br)cc21 ZINC000000684260 568461775 /nfs/dbraw/zinc/46/17/75/568461775.db2.gz DHAZADOCYBAZEV-NTUHNPAUSA-N 0 0 409.077 4.713 50 0 HJAARN CCOC(=O)c1oc2cc(OC)ccc2c(=O)c1-c1csc(-c2ccccc2)n1 ZINC000012296167 568462212 /nfs/dbraw/zinc/46/22/12/568462212.db2.gz PPTFVWDVDQBHLL-UHFFFAOYSA-N 0 0 407.447 4.769 50 0 biogenic HJAARN CCOc1nc(-c2cccc(C(F)(F)F)c2)n(-c2ccc(NC(=O)C(C)C)cc2)n1 ZINC000000698408 568462456 /nfs/dbraw/zinc/46/24/56/568462456.db2.gz XITBGZQSWIYELK-UHFFFAOYSA-N 0 0 418.419 4.946 50 0 HJAARN O=C(Nc1ccc(F)cc1F)[C@@H]1CC=CC[C@H]1C(=O)OCC(Cl)=C(Cl)Cl ZINC000000706619 568463498 /nfs/dbraw/zinc/46/34/98/568463498.db2.gz RGVBSWONSNTLDM-GHMZBOCLSA-N 0 0 424.658 4.914 50 0 HJAARN O=S(=O)(c1ccc(Br)cc1)N1CCS[C@@H]1c1ccc(Cl)cc1 ZINC000000713693 568465028 /nfs/dbraw/zinc/46/50/28/568465028.db2.gz PJAVOUZPJCYLGJ-OAHLLOKOSA-N 0 0 418.765 4.539 50 0 HJAARN O=C(Nc1nnc(CSCc2ccccc2)s1)c1ccccc1Br ZINC000000715048 568465759 /nfs/dbraw/zinc/46/57/59/568465759.db2.gz DOBITSSVICXGMH-UHFFFAOYSA-N 0 0 420.357 4.986 50 0 HJAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COc1cc(C)c(Cl)c(C)c1 ZINC000000718918 568466002 /nfs/dbraw/zinc/46/60/02/568466002.db2.gz DAWWRKHGNDPKAZ-UHFFFAOYSA-N 0 0 423.918 4.724 50 0 HJAARN COc1cc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)c(OC)cc1Cl ZINC000000751777 568470988 /nfs/dbraw/zinc/47/09/88/568470988.db2.gz NFAGSQBYFGAWAE-UHFFFAOYSA-N 0 0 406.269 4.757 50 0 HJAARN COc1ccc(Cl)cc1-c1nnc2sc(-c3cc(-c4ccccc4)on3)nn21 ZINC000012322735 568471150 /nfs/dbraw/zinc/47/11/50/568471150.db2.gz LJIBIIJPZAVDIP-UHFFFAOYSA-N 0 0 409.858 4.837 50 0 HJAARN COc1ccc(S(=O)(=O)c2c(C)c(C)n(C(C)C)c2NC(=O)C(C)(C)C)cc1 ZINC000012322974 568471183 /nfs/dbraw/zinc/47/11/83/568471183.db2.gz COJNWRJYWDTPLG-UHFFFAOYSA-N 0 0 406.548 4.512 50 0 HJAARN COc1ccc(-c2cc(-c3nn4c(nnc4-c4ccccc4Cl)s3)no2)cc1 ZINC000012323576 568471539 /nfs/dbraw/zinc/47/15/39/568471539.db2.gz AFHNDDWYKQUVRQ-UHFFFAOYSA-N 0 0 409.858 4.837 50 0 HJAARN CCOc1ccc(NC(=O)[C@@H](C)Sc2nc3ccc(NC(C)=O)cc3s2)cc1 ZINC000000780266 568474663 /nfs/dbraw/zinc/47/46/63/568474663.db2.gz SJTGNTUBRSRUEB-GFCCVEGCSA-N 0 0 415.540 4.773 50 0 HJAARN Cc1cccc(C)c1NC(=O)CSc1ncnc2c1cnn2-c1ccc(Cl)cc1 ZINC000000790173 568478877 /nfs/dbraw/zinc/47/88/77/568478877.db2.gz GDCVEBGFSHEWSY-UHFFFAOYSA-N 0 0 423.929 4.817 50 0 HJAARN CCc1ccccc1NC(=O)c1c(N)c(C(=O)c2ccc(OC)cc2)n2ccccc12 ZINC000012342110 568483793 /nfs/dbraw/zinc/48/37/93/568483793.db2.gz NRROFWSZXOTPCE-UHFFFAOYSA-N 0 0 413.477 4.576 50 0 HJAARN COc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc(Cl)cc3)n3ccccc23)cc1 ZINC000012342034 568484251 /nfs/dbraw/zinc/48/42/51/568484251.db2.gz JNCRNKJIQXVCMG-UHFFFAOYSA-N 0 0 419.868 4.667 50 0 HJAARN CCN(CC)C(=S)SCc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1 ZINC000007900883 568486383 /nfs/dbraw/zinc/48/63/83/568486383.db2.gz VEKZVAYKVJGUIW-UHFFFAOYSA-N 0 0 407.561 4.651 50 0 HJAARN CC(C)Oc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCc2ccccc2)cc1 ZINC000000822315 568498634 /nfs/dbraw/zinc/49/86/34/568498634.db2.gz JGMXTJHZJHIKES-JJIBRWJFSA-N 0 0 414.505 4.561 50 0 biogenic HJAARN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2)c1 ZINC000012351934 568498950 /nfs/dbraw/zinc/49/89/50/568498950.db2.gz ANKZFXKDUQWFKL-BJMVGYQFSA-N 0 0 422.337 4.868 50 0 HJAARN CC(=O)n1cc(/C=C2\N=C(c3cccc4ccccc43)OC2=O)c(-c2ccccc2)n1 ZINC000000824639 568499060 /nfs/dbraw/zinc/49/90/60/568499060.db2.gz BWBZCFYDDAFUAL-HMAPJEAMSA-N 0 0 407.429 4.708 50 0 HJAARN CN(Cc1ccccc1)C(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000000827024 568499305 /nfs/dbraw/zinc/49/93/05/568499305.db2.gz HJSXDKRAMASHHQ-UHFFFAOYSA-N 0 0 416.428 4.749 50 0 HJAARN O=S(=O)(c1cccs1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1Cl ZINC000012361541 568509568 /nfs/dbraw/zinc/50/95/68/568509568.db2.gz FHPWDYVXXBWYQG-QGZVFWFLSA-N 0 0 413.351 4.650 50 0 HJAARN COc1ccc(-c2noc(CCCC(=O)Nc3ccc(F)c(Cl)c3)n2)cc1OC ZINC000033000174 568510638 /nfs/dbraw/zinc/51/06/38/568510638.db2.gz SKKAEANLWCPAGM-UHFFFAOYSA-N 0 0 419.840 4.508 50 0 HJAARN CCc1ccccc1NC(=O)[C@H]1CCCN(c2nccnc2Oc2ccccc2)C1 ZINC000033168996 568511596 /nfs/dbraw/zinc/51/15/96/568511596.db2.gz OEVZFIQXZRAABH-IBGZPJMESA-N 0 0 402.498 4.686 50 0 HJAARN Cc1ccc(OCCC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1C ZINC000024565378 568512819 /nfs/dbraw/zinc/51/28/19/568512819.db2.gz OKKZKMBZOFPMLE-QHCPKHFHSA-N 0 0 403.526 4.511 50 0 HJAARN Cc1ccc(NC(=O)N2CCN(c3ccc(-c4noc(C(C)C)n4)cc3)CC2)c(C)c1 ZINC000033258338 568512853 /nfs/dbraw/zinc/51/28/53/568512853.db2.gz JFDHNOJDPNJEFR-UHFFFAOYSA-N 0 0 419.529 4.831 50 0 HJAARN Cc1ccc(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1C ZINC000000835089 568513425 /nfs/dbraw/zinc/51/34/25/568513425.db2.gz QXDJELUKPWRPIM-UHFFFAOYSA-N 0 0 408.523 4.522 50 0 HJAARN CC1CCN(c2ccc(-c3noc(CCC(=O)Nc4cccc(F)c4)n3)cc2)CC1 ZINC000033283385 568513505 /nfs/dbraw/zinc/51/35/05/568513505.db2.gz FUGNHYQWMMITIM-UHFFFAOYSA-N 0 0 408.477 4.683 50 0 HJAARN CNC(=O)c1cc(Oc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)ccn1 ZINC000059182076 568577766 /nfs/dbraw/zinc/57/77/66/568577766.db2.gz WACDHHMEVMSODJ-UHFFFAOYSA-N 0 0 415.371 4.505 50 0 in-vitro HJAARN FC(F)(F)c1cccc(N2CCN(Cc3nnc(-c4ccccc4Cl)o3)CC2)c1 ZINC000020177860 568592823 /nfs/dbraw/zinc/59/28/23/568592823.db2.gz AAOPIHLHSLIQEI-UHFFFAOYSA-N 0 0 422.838 4.731 50 0 HJAARN CC(C)NC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C/c1ccc(C(F)(F)F)cc1)S2 ZINC000020180525 568593042 /nfs/dbraw/zinc/59/30/42/568593042.db2.gz XCEPFDMHDBMLSX-ZDLGFXPLSA-N 0 0 420.456 4.953 50 0 HJAARN CC(C)(C)C1=NN(S(=O)(=O)c2ccccc2)[C@@H](c2cccc(Br)c2)C1 ZINC000095116630 568596119 /nfs/dbraw/zinc/59/61/19/568596119.db2.gz VIMOHKNKFMNIAI-QGZVFWFLSA-N 0 0 421.360 4.987 50 0 HJAARN COc1ccc(CCNc2ncnc3onc(-c4ccc(Cl)cc4)c32)cc1OC ZINC000020329666 568599181 /nfs/dbraw/zinc/59/91/81/568599181.db2.gz NMRPSGCCLDNSOA-UHFFFAOYSA-N 0 0 410.861 4.610 50 0 HJAARN CC(=O)N(CCNc1ncc(C(F)(F)F)cc1Cl)Cc1ccc(Cl)cc1 ZINC000020366460 568601319 /nfs/dbraw/zinc/60/13/19/568601319.db2.gz RKPFRGLELLSZJP-UHFFFAOYSA-N 0 0 406.235 4.868 50 0 HJAARN COc1ccc([C@H]2N=C(c3ccccc3O)C[C@H](c3cc(OC)ccc3OC)N2)cc1 ZINC000080325078 568601405 /nfs/dbraw/zinc/60/14/05/568601405.db2.gz XLOIZIFVKKWIGH-RDGATRHJSA-N 0 0 418.493 4.641 50 0 HJAARN CC(C)[C@@H](C(=O)N[C@H]1CCc2cc(Cl)ccc21)n1cnc2cc(F)c(F)cc21 ZINC000095392551 568604188 /nfs/dbraw/zinc/60/41/88/568604188.db2.gz YRYZMXDXGFUZNJ-PXNSSMCTSA-N 0 0 403.860 4.969 50 0 HJAARN CCCN(CCC)C(=O)/C(=C/c1cn(CC)c2ccccc12)NC(=O)c1ccco1 ZINC000020439219 568607422 /nfs/dbraw/zinc/60/74/22/568607422.db2.gz OLKQFFUEWITBBP-SILNSSARSA-N 0 0 407.514 4.674 50 0 HJAARN CCCCN(CCCC)C(=O)/C(=C/c1cn(C)c2ccccc12)NC(=O)c1ccco1 ZINC000020439271 568607426 /nfs/dbraw/zinc/60/74/26/568607426.db2.gz NQQHMTADRHFABM-FXBPSFAMSA-N 0 0 421.541 4.971 50 0 HJAARN O=C(CCc1ccccc1)N1CCC(C(=O)Nc2c(F)cc(Cl)cc2Cl)CC1 ZINC000095452375 568615088 /nfs/dbraw/zinc/61/50/88/568615088.db2.gz UWSZIIZXGGNRJA-UHFFFAOYSA-N 0 0 423.315 4.942 50 0 HJAARN Cc1ccc(NC(=O)CS[C@H](C)C(=O)N[C@@](C)(c2ccccc2)C(F)(F)F)cc1 ZINC000095457262 568618402 /nfs/dbraw/zinc/61/84/02/568618402.db2.gz RSDJUUSLMFAHSC-QRWLVFNGSA-N 0 0 424.488 4.649 50 0 HJAARN Cc1nn(C)c(C)c1CC(=O)N[C@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F ZINC000095458912 568619224 /nfs/dbraw/zinc/61/92/24/568619224.db2.gz LXGKBWUIUDEEBH-PXNSSMCTSA-N 0 0 407.480 4.831 50 0 HJAARN O=C(c1cc(-c2ccccc2)no1)N(CC(F)(F)F)[C@H]1CCCc2cccnc21 ZINC000095462409 568621469 /nfs/dbraw/zinc/62/14/69/568621469.db2.gz KOOSHVRTZARRTD-KRWDZBQOSA-N 0 0 401.388 4.819 50 0 HJAARN Brc1cccc(-c2c[nH]c(CN3CCC(Cc4cccnc4)CC3)n2)c1 ZINC000095468644 568625271 /nfs/dbraw/zinc/62/52/71/568625271.db2.gz LDOZMIPBMQCPGT-UHFFFAOYSA-N 0 0 411.347 4.689 50 0 HJAARN CCOc1cc(CN[C@H](C)c2ncc(C)o2)ccc1OCCOc1ccc(F)cc1 ZINC000095468632 568625400 /nfs/dbraw/zinc/62/54/00/568625400.db2.gz DMNJBEHCXPBJHN-QGZVFWFLSA-N 0 0 414.477 4.829 50 0 HJAARN CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000095471603 568626836 /nfs/dbraw/zinc/62/68/36/568626836.db2.gz ITJZSSQSLBVRLO-UHFFFAOYSA-N 0 0 415.342 4.666 50 0 HJAARN COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cc1OC ZINC000095474591 568629327 /nfs/dbraw/zinc/62/93/27/568629327.db2.gz LHBKRXUQNARFBE-KBXCAEBGSA-N 0 0 417.531 4.622 50 0 HJAARN COC(=O)C[C@H](c1ccco1)c1oc(CSc2ccccc2Cl)cc(=O)c1O ZINC000095474906 568629660 /nfs/dbraw/zinc/62/96/60/568629660.db2.gz RDBCQHJDBYFZJX-CYBMUJFWSA-N 0 0 420.870 4.579 50 0 HJAARN O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(=O)N2)c1ccc(-c2ccccc2)cc1 ZINC000095476703 568630398 /nfs/dbraw/zinc/63/03/98/568630398.db2.gz GMLAVLFVTDDXNV-JOCHJYFZSA-N 0 0 411.461 4.812 50 0 HJAARN O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1ccc(Cn2cncn2)cc1 ZINC000095477443 568631036 /nfs/dbraw/zinc/63/10/36/568631036.db2.gz KXEFTHOBNJOZCZ-HXUWFJFHSA-N 0 0 419.916 4.594 50 0 HJAARN Cc1ncc(COc2ccccc2)c2cc(C(=O)c3ccc4c(c3)OCCO4)oc21 ZINC000095477641 568631246 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O=C(CCc1ccco1)N1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000029255567 568652536 /nfs/dbraw/zinc/65/25/36/568652536.db2.gz UQCOTWIYZHCAGN-UHFFFAOYSA-N 0 0 414.958 4.939 50 0 HJAARN CCOc1ccc(NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C(C)C)cc1 ZINC000020978947 568654266 /nfs/dbraw/zinc/65/42/66/568654266.db2.gz FLUDRZXVRVSGNB-UHFFFAOYSA-N 0 0 400.500 4.973 50 0 HJAARN O=C(CCN1c2ccccc2Sc2ncccc2C1=O)Nc1cc(F)ccc1F ZINC000020993362 568656172 /nfs/dbraw/zinc/65/61/72/568656172.db2.gz KTUXHQFYVDIRKG-UHFFFAOYSA-N 0 0 411.433 4.500 50 0 HJAARN COc1ccc([C@H](CC(=O)Nc2cc(Cl)c(OC)cc2OC)n2cccc2)cc1 ZINC000020997472 568657112 /nfs/dbraw/zinc/65/71/12/568657112.db2.gz NUHPVVZZWRDWHD-IBGZPJMESA-N 0 0 414.889 4.786 50 0 HJAARN COC(=O)CCN(C(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C)c1cccc(F)c1 ZINC000225646464 568659773 /nfs/dbraw/zinc/65/97/73/568659773.db2.gz JSODXGHTVYUNTN-OAHLLOKOSA-N 0 0 421.538 4.897 50 0 HJAARN CC1(C)CN(C(=O)c2csc(Cc3ccccc3F)n2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000225655571 568660578 /nfs/dbraw/zinc/66/05/78/568660578.db2.gz GKEPLUBAHJVATM-DLYSWHJUSA-N 0 0 414.546 4.683 50 0 HJAARN Cc1ccc(C(C)C)cc1OCC(=O)N(c1ccc(CC(=O)N(C)C)cc1)C(C)C ZINC000225660706 568661383 /nfs/dbraw/zinc/66/13/83/568661383.db2.gz AELMGDCFNSWTLR-UHFFFAOYSA-N 0 0 410.558 4.570 50 0 HJAARN C[C@@H]1CN(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)C[C@@H](c2ccccc2)O1 ZINC000225679651 568663735 /nfs/dbraw/zinc/66/37/35/568663735.db2.gz VAADSPYFCUMQFI-JPYJTQIMSA-N 0 0 416.525 4.880 50 0 HJAARN CC(=O)N1N=C(COc2ccc(Cl)cc2C)O[C@@H]1c1ccc(Br)cc1 ZINC000021091632 568664309 /nfs/dbraw/zinc/66/43/09/568664309.db2.gz GPOYBJDYPNMNLM-GOSISDBHSA-N 0 0 423.694 4.681 50 0 HJAARN CC(=O)N1N=C(c2cccs2)O[C@@H]1c1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000021092836 568664498 /nfs/dbraw/zinc/66/44/98/568664498.db2.gz WIQVHHCOGFDLST-JOCHJYFZSA-N 0 0 405.479 4.548 50 0 HJAARN CCOc1ccc(OCC)c(Nc2c3[nH]cccc-3c(=O)n2Cc2cccs2)c1 ZINC000021105912 568666978 /nfs/dbraw/zinc/66/69/78/568666978.db2.gz RXTMBLNWYQBDIY-NRFANRHFSA-N 0 0 409.511 4.707 50 0 HJAARN COc1ccc(OC)c(-n2c(=O)c3ccc[nH]c-3c2Nc2cc(Cl)ccc2C)c1 ZINC000021105629 568667049 /nfs/dbraw/zinc/66/70/49/568667049.db2.gz YYYRYTSABUTCGR-NRFANRHFSA-N 0 0 409.873 4.832 50 0 HJAARN COc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cc(C)c(Cl)cc2OC)cc1 ZINC000021106519 568667184 /nfs/dbraw/zinc/66/71/84/568667184.db2.gz CHWZNBXTYWJJDS-NRFANRHFSA-N 0 0 409.873 4.832 50 0 HJAARN CCOc1ccc(OCC)c(Nc2c3[nH]cccc-3c(=O)n2Cc2ccccc2)c1 ZINC000021107246 568667214 /nfs/dbraw/zinc/66/72/14/568667214.db2.gz CIRJXLXBTNXRTJ-HSZRJFAPSA-N 0 0 403.482 4.646 50 0 HJAARN O=C(c1ccccc1)C1=NN(c2ccc(Cl)cc2)c2cc(F)ccc2S1(=O)=O ZINC000021147445 568671120 /nfs/dbraw/zinc/67/11/20/568671120.db2.gz OMMXVVYSKKGZNV-UHFFFAOYSA-N 0 0 414.845 4.601 50 0 HJAARN COc1ccccc1CNc1nc(-c2nnc(-c3ccccc3)o2)nc2ccccc21 ZINC000021156500 568673782 /nfs/dbraw/zinc/67/37/82/568673782.db2.gz IQGPGKXXZZWMIF-UHFFFAOYSA-N 0 0 409.449 4.968 50 0 HJAARN Cc1ccc(C)c(NC(=O)Nc2ccccc2OCc2cc(=O)n3ccccc3n2)c1 ZINC000021156602 568673904 /nfs/dbraw/zinc/67/39/04/568673904.db2.gz HLBNOVPUZGYQPW-UHFFFAOYSA-N 0 0 414.465 4.534 50 0 HJAARN Cc1ccc(CNC(=O)c2cc3c(s2)-c2ccc(Cl)cc2S(=O)(=O)C3)cc1 ZINC000021166775 568674835 /nfs/dbraw/zinc/67/48/35/568674835.db2.gz FQJIFIZEZCYNKA-UHFFFAOYSA-N 0 0 417.939 4.594 50 0 HJAARN O=C(N[C@@H]1CC(=O)c2ccccc21)c1cccnc1Oc1ccc(Br)cc1 ZINC000095997284 568679374 /nfs/dbraw/zinc/67/93/74/568679374.db2.gz ZXMIGYWHERTDHC-GOSISDBHSA-N 0 0 423.266 4.694 50 0 HJAARN COc1ccc(-c2nnc(N3CCc4c(nc(C(C)C)n4C)C3)c3ccccc32)cc1 ZINC000096006387 568682625 /nfs/dbraw/zinc/68/26/25/568682625.db2.gz XLEJANWQZWCBTK-UHFFFAOYSA-N 0 0 413.525 4.725 50 0 HJAARN Cc1nc2ccccc2n1CCc1nc(=O)c2c([nH]1)sc(C)c2-c1ccccc1 ZINC000096008349 568683482 /nfs/dbraw/zinc/68/34/82/568683482.db2.gz HEUPUQREXFNYPJ-UHFFFAOYSA-N 0 0 400.507 4.861 50 0 HJAARN CC(=O)Nc1nc2ccc(CCC(=O)N3CCC(Cc4ccccc4)CC3)cc2s1 ZINC000021352957 568687739 /nfs/dbraw/zinc/68/77/39/568687739.db2.gz QVXGKGLPUDGFPL-UHFFFAOYSA-N 0 0 421.566 4.669 50 0 HJAARN Cc1cc(S(=O)(=O)Nc2ccccc2CCc2nc3ccccc3n2C)ccc1F ZINC000021357004 568688355 /nfs/dbraw/zinc/68/83/55/568688355.db2.gz FHHOYFWOASIZMT-UHFFFAOYSA-N 0 0 423.513 4.607 50 0 HJAARN COC(=O)N1CCc2ccc(NC(=O)C3c4ccccc4Oc4ccccc43)cc2C1 ZINC000096096276 568688845 /nfs/dbraw/zinc/68/88/45/568688845.db2.gz PBDHCRHNQOXJJG-UHFFFAOYSA-N 0 0 414.461 4.687 50 0 HJAARN Cc1cc(S(=O)(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)ccc1F ZINC000021358078 568689623 /nfs/dbraw/zinc/68/96/23/568689623.db2.gz QLNKOFNLTKCFAG-UHFFFAOYSA-N 0 0 409.442 4.652 50 0 HJAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000226469664 568695964 /nfs/dbraw/zinc/69/59/64/568695964.db2.gz KXGHORBXHRQSGF-BFIDETRKSA-N 0 0 415.537 4.526 50 0 HJAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2cccc(Cl)c2F)S1 ZINC000096117079 568696359 /nfs/dbraw/zinc/69/63/59/568696359.db2.gz BHCBNJYVQWGJGP-BZNIZROVSA-N 0 0 409.914 4.985 50 0 HJAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccc(F)c(Cl)c2)S1 ZINC000096118460 568698088 /nfs/dbraw/zinc/69/80/88/568698088.db2.gz NEYDNDXKHZZWSU-MLGOLLRUSA-N 0 0 409.914 4.985 50 0 HJAARN O=C(COc1ccc(Cl)cc1Cl)NCc1ccc(C(=O)c2ccco2)s1 ZINC000096119800 568699071 /nfs/dbraw/zinc/69/90/71/568699071.db2.gz BBAYRNLLXQMMSB-UHFFFAOYSA-N 0 0 410.278 4.574 50 0 HJAARN O=C(N[C@H]1CCSc2ccc(F)cc21)c1cc(Br)cnc1Cl ZINC000058245110 568699222 /nfs/dbraw/zinc/69/92/22/568699222.db2.gz WUECFQXINSAYHY-LBPRGKRZSA-N 0 0 401.688 4.604 50 0 HJAARN CSc1ccc(/C=C/C(=O)Nc2ccc3c(c2)C(=O)N2CCCC[C@@H]2CCO3)cc1 ZINC000096120459 568699423 /nfs/dbraw/zinc/69/94/23/568699423.db2.gz ZSJRCKTUJAOYDQ-LKQLOZHYSA-N 0 0 422.550 4.838 50 0 HJAARN COc1ccc(C(=O)N2CCn3cccc3[C@H]2c2ccc(F)cc2)cc1C(F)(F)F ZINC000096203741 568704188 /nfs/dbraw/zinc/70/41/88/568704188.db2.gz MRBTXRURHCEMBQ-HXUWFJFHSA-N 0 0 418.390 4.900 50 0 HJAARN COCCn1ccc2c1cccc2C(=O)N[C@H]1CCCc2c3cc(OC)ccc3[nH]c21 ZINC000096221413 568705196 /nfs/dbraw/zinc/70/51/96/568705196.db2.gz ABJLBWGKYPORAU-QFIPXVFZSA-N 0 0 417.509 4.585 50 0 biogenic HJAARN Cc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000021526594 568709403 /nfs/dbraw/zinc/70/94/03/568709403.db2.gz QQKBIZOYLONOBY-RUZDIDTESA-N 0 0 419.525 4.801 50 0 HJAARN CCNC(=O)c1ccc(CSc2nc3cccnc3n2Cc2ccc(F)cc2)cc1 ZINC000021528327 568709887 /nfs/dbraw/zinc/70/98/87/568709887.db2.gz JRQMUYUDPAOXJL-UHFFFAOYSA-N 0 0 420.513 4.661 50 0 HJAARN C[C@H]1CCC[C@H](C)N1C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000000844968 568709990 /nfs/dbraw/zinc/70/99/90/568709990.db2.gz NSZBUSLVHYGSDJ-STQMWFEESA-N 0 0 420.410 4.957 50 0 HJAARN CN(Cc1ccccc1)C(=O)c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F ZINC000000845049 568710007 /nfs/dbraw/zinc/71/00/07/568710007.db2.gz KHINXPVHPGLZMC-UHFFFAOYSA-N 0 0 416.428 4.749 50 0 HJAARN Cc1cc(C)c2c(-n3cccc3)nn(Cc3ccc(C(=O)N4CCCCC4)cc3)c2n1 ZINC000021540052 568713560 /nfs/dbraw/zinc/71/35/60/568713560.db2.gz ZZARDEGRHGTXPC-UHFFFAOYSA-N 0 0 413.525 4.513 50 0 HJAARN Cc1cc(Cl)ccc1NC(=O)CN1c2ccccc2Sc2ncccc2C1=O ZINC000021540114 568713572 /nfs/dbraw/zinc/71/35/72/568713572.db2.gz PSNLVJKZUULQJA-UHFFFAOYSA-N 0 0 409.898 4.794 50 0 HJAARN C[C@@H]1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccccc3)cc2)[C@H]2CCCC[C@@H]12 ZINC000229780583 568715247 /nfs/dbraw/zinc/71/52/47/568715247.db2.gz ZHYUYIZENIZSRB-LEOXJPRUSA-N 0 0 411.567 4.701 50 0 HJAARN O=C(Nc1nnc(SCc2ccc(F)cc2F)s1)[C@H]1C[C@H]1c1ccccc1 ZINC000096280163 568717716 /nfs/dbraw/zinc/71/77/16/568717716.db2.gz RHXSJYKLYNCPKU-GJZGRUSLSA-N 0 0 403.479 4.851 50 0 HJAARN Cc1oc(-c2ccc(C)cc2)nc1COC(=O)c1nnn(-c2ccc(C)c(C)c2)c1C ZINC000012415832 568718017 /nfs/dbraw/zinc/71/80/17/568718017.db2.gz ZJZSJJPIQFCYSZ-UHFFFAOYSA-N 0 0 416.481 4.821 50 0 HJAARN Cc1ccc([C@@H]2c3c(O)n(-c4ccc(C)c(C)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000085945242 568718128 /nfs/dbraw/zinc/71/81/28/568718128.db2.gz XDFUWSLMORUIPV-SMIHKQSGSA-N 0 0 412.489 4.663 50 0 HJAARN COc1ccc(C(=O)COc2ccc(-c3noc(-c4ccc(F)cc4F)n3)cc2)cc1 ZINC000096281009 568718501 /nfs/dbraw/zinc/71/85/01/568718501.db2.gz FUTYPGXMJOJVSX-UHFFFAOYSA-N 0 0 422.387 4.952 50 0 HJAARN CCc1ccccc1NC(=O)N1CCC2(CC1)SCC(=O)N2c1cccc(C)c1 ZINC000096281993 568719307 /nfs/dbraw/zinc/71/93/07/568719307.db2.gz UYDPSSREQRCIPA-UHFFFAOYSA-N 0 0 409.555 4.661 50 0 HJAARN CCS(=O)(=O)c1ccc2oc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)nc2c1 ZINC000096289200 568719593 /nfs/dbraw/zinc/71/95/93/568719593.db2.gz MIJWNCNCCINBGD-UHFFFAOYSA-N 0 0 424.453 4.680 50 0 HJAARN C[C@H](C(=O)NC1CC1)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000096290436 568720335 /nfs/dbraw/zinc/72/03/35/568720335.db2.gz WDMRDAPEGLRYIR-LLVKDONJSA-N 0 0 406.288 4.913 50 0 HJAARN COc1ccccc1C1=NN(C(=O)c2cccs2)[C@H](c2ccc3nccnc3c2)C1 ZINC000012420785 568720342 /nfs/dbraw/zinc/72/03/42/568720342.db2.gz ZAPAIEKHGTVQMG-FQEVSTJZSA-N 0 0 414.490 4.691 50 0 HJAARN COc1ccc(C2=NN(C(C)=O)[C@@H](c3c(OC)ccc4ccccc43)C2)cc1OC ZINC000012420722 568720530 /nfs/dbraw/zinc/72/05/30/568720530.db2.gz ISAVBNKXOYLGQH-HXUWFJFHSA-N 0 0 404.466 4.563 50 0 HJAARN Cc1cccc(Cc2nc3cc(Cl)c(Cl)cc3n2CC(=O)N2CCCC2)c1 ZINC000096291250 568720578 /nfs/dbraw/zinc/72/05/78/568720578.db2.gz SSMBLYHZWYEYSI-UHFFFAOYSA-N 0 0 402.325 4.865 50 0 HJAARN COc1ccc(C(=O)N2N=C(c3cccs3)C[C@H]2c2ccc3nccnc3c2)cc1 ZINC000012420944 568720592 /nfs/dbraw/zinc/72/05/92/568720592.db2.gz WORYWOJRTMHZMZ-NRFANRHFSA-N 0 0 414.490 4.691 50 0 HJAARN CC[C@H](C)[C@@H](NC(=O)CCc1ccccc1)c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000096293103 568721305 /nfs/dbraw/zinc/72/13/05/568721305.db2.gz LWFJOXCZPVACGQ-KSFYIVLOSA-N 0 0 423.513 4.590 50 0 HJAARN CCCN1c2ccc(NC(=O)c3ccccc3C)cc2S(=O)(=O)N=C1CC(C)C ZINC000096293404 568721543 /nfs/dbraw/zinc/72/15/43/568721543.db2.gz RWOLEOOZNPXYPQ-UHFFFAOYSA-N 0 0 413.543 4.611 50 0 HJAARN O=C(NCc1cccs1)c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F ZINC000000866039 568723376 /nfs/dbraw/zinc/72/33/76/568723376.db2.gz BMVFJJVQORPHOM-HZPDHXFCSA-N 0 0 424.423 4.674 50 0 HJAARN COc1ccc2nc(-c3ccc(C)c(NC(=O)c4c(F)cccc4Cl)c3)cn2n1 ZINC000012441184 568723803 /nfs/dbraw/zinc/72/38/03/568723803.db2.gz KPRUWDGUJOLQJF-UHFFFAOYSA-N 0 0 410.836 4.758 50 0 HJAARN Cc1cc(NC(=O)COc2ccc(Cl)cc2)n(-c2nc(-c3ccccc3)cs2)n1 ZINC000012441734 568724369 /nfs/dbraw/zinc/72/43/69/568724369.db2.gz NPEQZCBHEVWALJ-UHFFFAOYSA-N 0 0 424.913 4.975 50 0 HJAARN COc1ccccc1Oc1coc2c(ccc3c2CN(Cc2ccco2)CO3)c1=O ZINC000012442638 568724779 /nfs/dbraw/zinc/72/47/79/568724779.db2.gz ICOXNYNZPHYBPW-UHFFFAOYSA-N 0 0 405.406 4.539 50 0 HJAARN Cc1ccc(NC(=O)Cc2csc(SCC(=O)c3ccccc3)n2)cc1F ZINC000012444160 568725328 /nfs/dbraw/zinc/72/53/28/568725328.db2.gz QOKCFTWNEQRAII-UHFFFAOYSA-N 0 0 400.500 4.747 50 0 HJAARN Cc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4ccccc4Cl)no3)o2)cc1 ZINC000096322684 568730713 /nfs/dbraw/zinc/73/07/13/568730713.db2.gz ZNTVAXHSWTUVRN-UHFFFAOYSA-N 0 0 414.870 4.932 50 0 HJAARN CCOc1ccccc1-c1noc(-c2ccc(CS(=O)(=O)c3ccc(C)cc3)o2)n1 ZINC000096322788 568730966 /nfs/dbraw/zinc/73/09/66/568730966.db2.gz POHGCSOQAROQEU-UHFFFAOYSA-N 0 0 424.478 4.678 50 0 HJAARN COc1ccc(CNC(=O)c2cc3occc3c(Nc3ccc(F)cc3)n2)c(OC)c1 ZINC000096323689 568732753 /nfs/dbraw/zinc/73/27/53/568732753.db2.gz ILBQIPZMSWDXCJ-UHFFFAOYSA-N 0 0 421.428 4.658 50 0 HJAARN COc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(=O)c1ccc(F)cc1 ZINC000034680407 568733723 /nfs/dbraw/zinc/73/37/23/568733723.db2.gz XHRPEKYUSBJDKX-UHFFFAOYSA-N 0 0 404.397 4.813 50 0 HJAARN Cc1ccc(NC(=O)c2cccs2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000005795492 568734220 /nfs/dbraw/zinc/73/42/20/568734220.db2.gz JWIYLNJUFVQJRS-UHFFFAOYSA-N 0 0 406.916 4.763 50 0 HJAARN CC(C)OC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000000878121 568734451 /nfs/dbraw/zinc/73/44/51/568734451.db2.gz MAYOWWJQDZCLAM-UHFFFAOYSA-N 0 0 417.918 4.543 50 0 HJAARN O=C(NCc1ccc(Cl)cc1)C1CCN(c2ncnc3c4ccccc4oc32)CC1 ZINC000021658180 568734861 /nfs/dbraw/zinc/73/48/61/568734861.db2.gz TWYTYELHWJGNST-UHFFFAOYSA-N 0 0 420.900 4.562 50 0 HJAARN O=C(NCc1cccc2ccccc21)NCC1(Sc2ccccc2)CCOCC1 ZINC000096331375 568735943 /nfs/dbraw/zinc/73/59/43/568735943.db2.gz MTBLJKUMXWXMHZ-UHFFFAOYSA-N 0 0 406.551 4.981 50 0 HJAARN O=C(NCC1(Sc2ccccc2)CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC000096331387 568735950 /nfs/dbraw/zinc/73/59/50/568735950.db2.gz SOLYDYRPQNXMBO-UHFFFAOYSA-N 0 0 411.445 4.657 50 0 HJAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3sccc3C)sc2c1 ZINC000021661099 568735985 /nfs/dbraw/zinc/73/59/85/568735985.db2.gz KEMHLKDCQTUHHG-CYBMUJFWSA-N 0 0 410.524 4.643 50 0 HJAARN Cc1ccc(CNC(=O)c2[nH]c3ccc(C)cc3c2NC(=O)c2ccc(F)cc2)o1 ZINC000096332588 568736469 /nfs/dbraw/zinc/73/64/69/568736469.db2.gz YCQUQYRUQZDRCG-UHFFFAOYSA-N 0 0 405.429 4.699 50 0 HJAARN CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1ccc(O)cc1 ZINC000000886688 568739169 /nfs/dbraw/zinc/73/91/69/568739169.db2.gz QRLJUXFLRQVHOC-UHFFFAOYSA-N 0 0 404.495 4.555 50 0 HJAARN O=C(Nc1ccc(F)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000000894119 568742701 /nfs/dbraw/zinc/74/27/01/568742701.db2.gz MURXDPPFACKHBU-HSZRJFAPSA-N 0 0 406.482 4.852 50 0 HJAARN O=C(NCc1ccc(F)cc1)Nc1cccc(-c2nccnc2N2CCCCC2)c1 ZINC000096386608 568743266 /nfs/dbraw/zinc/74/32/66/568743266.db2.gz RLGUMLMXCZEZDR-UHFFFAOYSA-N 0 0 405.477 4.595 50 0 HJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(C)nc3c(-c4cccs4)cccc23)C1 ZINC000021705071 568743396 /nfs/dbraw/zinc/74/33/96/568743396.db2.gz ZIFRTISVECNRHK-MRXNPFEDSA-N 0 0 408.523 4.687 50 0 HJAARN Cc1oc2ccn(Cc3ccc(F)cc3)c(=O)c2c1C(=O)Nc1ccc(F)cc1C ZINC000096396463 568744955 /nfs/dbraw/zinc/74/49/55/568744955.db2.gz MFLLDBGQQMYFRX-UHFFFAOYSA-N 0 0 408.404 4.790 50 0 HJAARN Clc1cccc(-c2noc3ncnc(N(Cc4ccco4)C[C@H]4CCCO4)c32)c1 ZINC000021714509 568748668 /nfs/dbraw/zinc/74/86/68/568748668.db2.gz XBWWUDMDBVDAFA-QGZVFWFLSA-N 0 0 410.861 4.717 50 0 HJAARN Cc1ccccc1NC(=O)Nc1ccc2nc(S(=O)(=O)CC(C)C)sc2c1 ZINC000096399721 568749026 /nfs/dbraw/zinc/74/90/26/568749026.db2.gz HVHJCJVZRYWRJP-UHFFFAOYSA-N 0 0 403.529 4.678 50 0 HJAARN CSc1ccc(NC(=O)Nc2ccc3nc(S(=O)(=O)C(C)C)sc3c2)cc1 ZINC000096399709 568749118 /nfs/dbraw/zinc/74/91/18/568749118.db2.gz UMSOWNXKWDANNI-UHFFFAOYSA-N 0 0 421.569 4.844 50 0 HJAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(OC)c2)cc1 ZINC000021715550 568749619 /nfs/dbraw/zinc/74/96/19/568749619.db2.gz BIRNCIPXOKJTGA-RUZDIDTESA-N 0 0 412.489 4.973 50 0 HJAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc3c(c2)OCO3)cc1 ZINC000021715516 568749643 /nfs/dbraw/zinc/74/96/43/568749643.db2.gz GGZBGZADLOFNQJ-RUZDIDTESA-N 0 0 410.473 4.993 50 0 HJAARN O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)NCCc1ccccc1 ZINC000000901450 568749694 /nfs/dbraw/zinc/74/96/94/568749694.db2.gz NXHRPSKYVMWAAJ-UHFFFAOYSA-N 0 0 423.485 4.675 50 0 HJAARN CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1ccccc1 ZINC000000906804 568749793 /nfs/dbraw/zinc/74/97/93/568749793.db2.gz MYEKIPFSJYGSBL-AWEZNQCLSA-N 0 0 415.950 4.683 50 0 HJAARN Cc1cc(F)ccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000000919312 568750241 /nfs/dbraw/zinc/75/02/41/568750241.db2.gz ZJLFUBSIGDDSQU-CJNGLKHVSA-N 0 0 408.355 4.836 50 0 HJAARN O=C(/C=C\c1ccc(Br)o1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000096401585 568750357 /nfs/dbraw/zinc/75/03/57/568750357.db2.gz PSJLUKQURRJZRD-KJJQSCHISA-N 0 0 401.260 4.603 50 0 HJAARN COc1ccccc1[C@@H](CCN(Cc1ccccc1)C(C)=O)c1ccc2c(c1)OCO2 ZINC000000915655 568750400 /nfs/dbraw/zinc/75/04/00/568750400.db2.gz WVYDHECISOYMRV-QFIPXVFZSA-N 0 0 417.505 4.995 50 0 biogenic HJAARN Cc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3nc(-c4ccc(F)cc4)cs3)ccc12 ZINC000000935681 568751298 /nfs/dbraw/zinc/75/12/98/568751298.db2.gz GLAXMOZXSLJIOD-CYBMUJFWSA-N 0 0 424.453 4.770 50 0 HJAARN O=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1Cc1ccco1 ZINC000000939534 568752557 /nfs/dbraw/zinc/75/25/57/568752557.db2.gz UNEPQNSJOQNWJW-HSZRJFAPSA-N 0 0 401.491 4.907 50 0 HJAARN COc1ccc(Cl)cc1N1C(=O)C(Cl)=C(Nc2ccc(C)c(Cl)c2)C1=O ZINC000000939173 568752577 /nfs/dbraw/zinc/75/25/77/568752577.db2.gz RYXWZTQKUSZBNQ-UHFFFAOYSA-N 0 0 411.672 4.746 50 0 HJAARN CC1CCC(NC(=O)c2nn(-c3ccccn3)c3nccc(-c4cccs4)c23)CC1 ZINC000025145531 568752590 /nfs/dbraw/zinc/75/25/90/568752590.db2.gz RLBDLACSKODWKS-UHFFFAOYSA-N 0 0 417.538 4.853 50 0 HJAARN COc1ccccc1[C@H]1SCC(=O)Nc2c1c(C)nn2-c1ccc(C)c(Cl)c1 ZINC000021788110 568752868 /nfs/dbraw/zinc/75/28/68/568752868.db2.gz CZGFTHDWZBGMHX-HXUWFJFHSA-N 0 0 413.930 4.926 50 0 HJAARN Cc1ccc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCCC(C)C)cc1C ZINC000021858545 568755140 /nfs/dbraw/zinc/75/51/40/568755140.db2.gz IGFPUERINJYVIM-SANMLTNESA-N 0 0 417.553 4.840 50 0 HJAARN Cc1ccc(N(Cc2nc3nc(C)c(Cl)c(C)n3n2)C(=O)c2ccccc2)cc1 ZINC000086066539 568755812 /nfs/dbraw/zinc/75/58/12/568755812.db2.gz HOMXYKLZHURBNC-UHFFFAOYSA-N 0 0 405.889 4.550 50 0 HJAARN CC(C)CCN1C(=O)c2ccc(-c3ccccc3)n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021869148 568756058 /nfs/dbraw/zinc/75/60/58/568756058.db2.gz FKOMGNOOQWBFKG-AREMUKBSSA-N 0 0 421.585 4.865 50 0 HJAARN Cc1ccc(C)c(NC(=O)c2ccc(CN3C(=O)CSc4ncccc43)cc2)c1 ZINC000021872403 568756314 /nfs/dbraw/zinc/75/63/14/568756314.db2.gz AAPQGICANMHOPT-UHFFFAOYSA-N 0 0 403.507 4.590 50 0 HJAARN CCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000086077524 568756364 /nfs/dbraw/zinc/75/63/64/568756364.db2.gz YERONRJRYIUEGF-AZUAARDMSA-N 0 0 418.541 4.512 50 0 HJAARN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)Nc1nnc([C@@H]2CCCO2)s1 ZINC000000959534 568758306 /nfs/dbraw/zinc/75/83/06/568758306.db2.gz VITPXVFGZLQLMP-QHSLDKKCSA-N 0 0 407.495 4.621 50 0 HJAARN FC(F)(F)c1cccc(Nc2ncnc3ccc(I)cc32)c1 ZINC000000955107 568758721 /nfs/dbraw/zinc/75/87/21/568758721.db2.gz JJKILGVHYKVUPC-UHFFFAOYSA-N 0 0 415.156 4.997 50 0 HJAARN CCOC(=O)CC1(NC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2C)CCCCC1 ZINC000021890728 568759125 /nfs/dbraw/zinc/75/91/25/568759125.db2.gz CNWGLNWVSMTWKH-SFHVURJKSA-N 0 0 409.530 4.720 50 0 HJAARN COCc1cc(C)nc2sc3c(c21)N[C@@H](c1ccco1)N(Cc1ccco1)C3=O ZINC000000973947 568759312 /nfs/dbraw/zinc/75/93/12/568759312.db2.gz HAIKIWFMSKZJFU-LJQANCHMSA-N 0 0 409.467 4.704 50 0 HJAARN CCOC(=O)c1ccc(NC(=O)c2sc3nc4ccc(C)cc4cc3c2N)cc1 ZINC000000976359 568759677 /nfs/dbraw/zinc/75/96/77/568759677.db2.gz JHRFAYXAPVIOSQ-UHFFFAOYSA-N 0 0 405.479 4.769 50 0 HJAARN CCOC(=O)/C=C(\C)N1N=C2c3ccc(OC)cc3CC[C@@H]2[C@@H]1c1ccccc1F ZINC000096562349 568760231 /nfs/dbraw/zinc/76/02/31/568760231.db2.gz HIHNDVNZYSRQPU-RPAJCDSYSA-N 0 0 408.473 4.625 50 0 HJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1ccc(Cl)cn1)CCCC2 ZINC000000984177 568760545 /nfs/dbraw/zinc/76/05/45/568760545.db2.gz HIWHTXLWYYVOOV-UHFFFAOYSA-N 0 0 410.948 4.583 50 0 HJAARN CCC[C@@H]1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)Nc3ccccc3)N2C1=O ZINC000021936259 568762288 /nfs/dbraw/zinc/76/22/88/568762288.db2.gz NFBWYWYEQGITHX-RBUKOAKNSA-N 0 0 420.538 4.596 50 0 HJAARN CCC[C@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3cccc(C)c3)N2C1=O ZINC000021936334 568762310 /nfs/dbraw/zinc/76/23/10/568762310.db2.gz PVVDJYUKFFFNRS-HNAYVOBHSA-N 0 0 420.538 4.514 50 0 HJAARN CCOc1ccc(OCc2ccc(C(=O)N[C@H](C)c3cn(CC)nc3C)cc2)cc1 ZINC000001018974 568762636 /nfs/dbraw/zinc/76/26/36/568762636.db2.gz PBXLDWVWXZQLPJ-QGZVFWFLSA-N 0 0 407.514 4.680 50 0 HJAARN COc1cc(Nc2cc(-c3ccc(C(F)(F)F)cc3)ncn2)cc(OC)c1OC ZINC000096582260 568762694 /nfs/dbraw/zinc/76/26/94/568762694.db2.gz LNHUSIWWFWFWNX-UHFFFAOYSA-N 0 0 405.376 4.932 50 0 HJAARN COc1ccc(OC)c(-c2cc(C(=O)NCc3cccs3)c3ccccc3n2)c1 ZINC000096592519 568763277 /nfs/dbraw/zinc/76/32/77/568763277.db2.gz BMBUZLVARHEPDJ-UHFFFAOYSA-N 0 0 404.491 4.911 50 0 HJAARN COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc5c(c4)OCO5)sc3n2)c1 ZINC000001026477 568763931 /nfs/dbraw/zinc/76/39/31/568763931.db2.gz AFSFYRGDPAVRNL-UHFFFAOYSA-N 0 0 419.462 4.535 50 0 HJAARN COc1cc(OC)c(NCN2C(=O)S/C(=C\c3ccc(F)cc3)C2=O)cc1Cl ZINC000334163611 568764133 /nfs/dbraw/zinc/76/41/33/568764133.db2.gz YUVJERUIZLOQNL-IDUWFGFVSA-N 0 0 422.865 4.602 50 0 HJAARN CCCN(Cc1ccc(C)cc1)C(=O)COC(=O)/C=C\c1cccc2cccnc12 ZINC000096941182 568765563 /nfs/dbraw/zinc/76/55/63/568765563.db2.gz DRORFMLMRGKVOF-YPKPFQOOSA-N 0 0 402.494 4.538 50 0 HJAARN O=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)N1CCc2sccc2C1 ZINC000022328886 568766296 /nfs/dbraw/zinc/76/62/96/568766296.db2.gz YCSUHMLSOIDYSM-DUXPYHPUSA-N 0 0 401.381 4.549 50 0 HJAARN CCN1CCN([C@H](c2cccs2)[C@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000022460154 568768072 /nfs/dbraw/zinc/76/80/72/568768072.db2.gz LLYIUPRXVAQFCM-AVRDEDQJSA-N 0 0 413.631 4.543 50 0 HJAARN CC(C)Oc1ccc(N2C[C@H](C(=O)Nc3cccc(Cl)c3Cl)CC2=O)cc1 ZINC000001087765 568768292 /nfs/dbraw/zinc/76/82/92/568768292.db2.gz BCNQCXMFBBNJKP-CYBMUJFWSA-N 0 0 407.297 4.772 50 0 HJAARN Cc1ccccc1-c1ccc(N2CCC(C(=O)N3c4ccccc4C[C@@H]3C)CC2)nn1 ZINC000022493775 568768797 /nfs/dbraw/zinc/76/87/97/568768797.db2.gz CTLUZUGOZRMCDL-IBGZPJMESA-N 0 0 412.537 4.646 50 0 HJAARN O=C(N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1)C12CC(C(F)(F)F)(C1)C2 ZINC000097165155 568769424 /nfs/dbraw/zinc/76/94/24/568769424.db2.gz OLRQJGJUQRZRAJ-IUDNXUCKSA-N 0 0 412.210 4.765 50 0 HJAARN Cc1ccc(-n2ncc(C(=O)N3CCc4ccccc4C3)c2-n2cccc2)cc1Cl ZINC000022519997 568769580 /nfs/dbraw/zinc/76/95/80/568769580.db2.gz ZLSUQSKMPCZLCE-UHFFFAOYSA-N 0 0 416.912 4.823 50 0 HJAARN [O-]c1c([C@H](c2ccccc2)[NH+]2CCC(Cc3ccccc3)CC2)sc2ncnn12 ZINC000022609146 568771807 /nfs/dbraw/zinc/77/18/07/568771807.db2.gz YKMMFBNIDUBHNU-FQEVSTJZSA-N 0 0 404.539 4.541 50 0 HJAARN CCOc1ccc2cc(-c3nnc(-c4cccc(Br)c4)o3)c(=O)oc2c1 ZINC000002474064 568773794 /nfs/dbraw/zinc/77/37/94/568773794.db2.gz VWDXNHAOQVTDSF-UHFFFAOYSA-N 0 0 413.227 4.671 50 0 HJAARN CC1(C)CC2=NN(c3ccccc3)[P@@](=O)(c3ccccc3)C2=C(N2CCOCC2)C1 ZINC000025514578 568773835 /nfs/dbraw/zinc/77/38/35/568773835.db2.gz IURWHCHBKAPEDT-SSEXGKCCSA-N 0 0 421.481 4.830 50 0 HJAARN COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cc(=O)c2ccccc2o1 ZINC000002483620 568775003 /nfs/dbraw/zinc/77/50/03/568775003.db2.gz YQFVFTMAJZKJKI-UHFFFAOYSA-N 0 0 405.431 4.560 50 0 HJAARN O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C1(c2ccccc2)CCC1 ZINC000025539481 568775186 /nfs/dbraw/zinc/77/51/86/568775186.db2.gz VSMIUUQPVPQAAR-UHFFFAOYSA-N 0 0 424.497 4.687 50 0 HJAARN CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccccc3Br)cc21 ZINC000001165395 568775715 /nfs/dbraw/zinc/77/57/15/568775715.db2.gz KNBLAHILICTMGD-UHFFFAOYSA-N 0 0 416.271 4.645 50 0 biogenic HJAARN COc1ccc(C2(CNC(=O)c3ccc(-c4ccsc4)cc3)CCOCC2)cc1 ZINC000225616760 568776710 /nfs/dbraw/zinc/77/67/10/568776710.db2.gz AJTWWQFAEWYCJO-UHFFFAOYSA-N 0 0 407.535 4.902 50 0 HJAARN CCCOc1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 ZINC000002502548 568777340 /nfs/dbraw/zinc/77/73/40/568777340.db2.gz VCHBRQAKDFFHRI-HSZRJFAPSA-N 0 0 408.523 4.791 50 0 HJAARN O=C(CCc1ccccc1Br)NCc1cncc(-c2cccs2)c1 ZINC000225665045 568778351 /nfs/dbraw/zinc/77/83/51/568778351.db2.gz VLDUQYHYDWGREP-UHFFFAOYSA-N 0 0 401.329 4.822 50 0 HJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(Oc2nc3ccccc3o2)CC1 ZINC000225680270 568778663 /nfs/dbraw/zinc/77/86/63/568778663.db2.gz LMMYJYMBGFFOMV-UHFFFAOYSA-N 0 0 414.889 4.709 50 0 HJAARN O=C(c1ccc(COc2ccc(F)cc2)o1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000055553268 568779350 /nfs/dbraw/zinc/77/93/50/568779350.db2.gz DSWGKOXSHIMQCG-UHFFFAOYSA-N 0 0 417.440 4.804 50 0 HJAARN O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccc(COc2ccc3c(c2)OCO3)o1 ZINC000028223625 568782653 /nfs/dbraw/zinc/78/26/53/568782653.db2.gz XZAGWPMIZKFWMV-UHFFFAOYSA-N 0 0 423.318 4.998 50 0 HJAARN O=C(CSc1nncs1)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000002622333 568788091 /nfs/dbraw/zinc/78/80/91/568788091.db2.gz GEWRRLBDNOXPKG-UHFFFAOYSA-N 0 0 403.341 4.699 50 0 HJAARN CC(C)(C)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 ZINC000002622767 568788135 /nfs/dbraw/zinc/78/81/35/568788135.db2.gz SDCVXTJJOCGACB-UHFFFAOYSA-N 0 0 400.931 4.806 50 0 HJAARN COc1ccc(-n2c(S[C@H]3CCCCC3=O)nnc2-c2ccccc2OC)cc1 ZINC000002625934 568789265 /nfs/dbraw/zinc/78/92/65/568789265.db2.gz RZIPTUXJRTVRGR-FQEVSTJZSA-N 0 0 409.511 4.555 50 0 HJAARN CC(C)Cn1c(SCC(=O)Nc2cccc3ccccc32)nc2ccccc2c1=O ZINC000002634760 568791702 /nfs/dbraw/zinc/79/17/02/568791702.db2.gz YTGHXLVLMCDPRL-UHFFFAOYSA-N 0 0 417.534 4.937 50 0 HJAARN COc1cccc([C@@H](c2c3ccccc3n(O)c2-c2ccccc2)N2CCOCC2)c1 ZINC000002637958 568792822 /nfs/dbraw/zinc/79/28/22/568792822.db2.gz QDKZGICMXQZMKI-VWLOTQADSA-N 0 0 414.505 4.976 50 0 HJAARN Cc1ccccc1-c1nnc(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)n1C ZINC000002652626 568796932 /nfs/dbraw/zinc/79/69/32/568796932.db2.gz UHFAMOOAOQQQFP-UHFFFAOYSA-N 0 0 422.341 4.532 50 0 HJAARN COc1ccccc1C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(N(C)C)cc1 ZINC000002652598 568796977 /nfs/dbraw/zinc/79/69/77/568796977.db2.gz VZINCOXFZPKYCT-JOCHJYFZSA-N 0 0 413.521 4.804 50 0 HJAARN Cc1cc(C(=O)COC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1C[C@@H]1CCCO1 ZINC000002655565 568797785 /nfs/dbraw/zinc/79/77/85/568797785.db2.gz PTSVKSRMFUUZJH-HNNXBMFYSA-N 0 0 410.297 4.630 50 0 HJAARN COc1cc2c(cc1OC)n(Cc1ccc(C)cc1)cc(C(=O)c1ccccc1)c2=O ZINC000002690542 568801144 /nfs/dbraw/zinc/80/11/44/568801144.db2.gz NCLYCNSRQOCQBR-UHFFFAOYSA-N 0 0 413.473 4.606 50 0 HJAARN CC(=O)c1sc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)nc1-c1ccccc1 ZINC000028701270 568803002 /nfs/dbraw/zinc/80/30/02/568803002.db2.gz IMUHLGAARNXVGG-IBGZPJMESA-N 0 0 422.506 4.823 50 0 HJAARN CCOc1ccccc1C(=O)N1CC(=O)Nc2ccc(C)cc2[C@H]1c1ccc(F)cc1 ZINC000002724125 568803311 /nfs/dbraw/zinc/80/33/11/568803311.db2.gz KNWNXNBRFBQACF-XMMPIXPASA-N 0 0 418.468 4.717 50 0 HJAARN CNC(=S)N(CCc1c(C)[nH]c2ccc(Cl)cc21)Cc1ccccc1OC ZINC000002722502 568803421 /nfs/dbraw/zinc/80/34/21/568803421.db2.gz MGIYWCPAUJPYLU-UHFFFAOYSA-N 0 0 401.963 4.687 50 0 HJAARN COc1ccc(C(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@@H]2c2ccc(F)cc2)cc1 ZINC000002724578 568803679 /nfs/dbraw/zinc/80/36/79/568803679.db2.gz NYPKCOUAQYARGM-QFIPXVFZSA-N 0 0 424.859 4.672 50 0 HJAARN COc1cccc(C(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@H]2c2ccc(F)cc2)c1 ZINC000002724573 568803767 /nfs/dbraw/zinc/80/37/67/568803767.db2.gz BGEZQZRYLODUDA-JOCHJYFZSA-N 0 0 424.859 4.672 50 0 HJAARN O=C(NCc1ccc2c(c1)OCO2)c1sc2cc(OC(F)F)ccc2c1Cl ZINC000002791197 568809900 /nfs/dbraw/zinc/80/99/00/568809900.db2.gz FWYVUTWNTRSEOK-UHFFFAOYSA-N 0 0 411.813 4.815 50 0 HJAARN Cc1cc(OC(F)F)ccc1NC(=O)CSc1nccc(-c2cccs2)n1 ZINC000002792773 568810299 /nfs/dbraw/zinc/81/02/99/568810299.db2.gz WXYBJLPSCGNGIY-UHFFFAOYSA-N 0 0 407.467 4.846 50 0 HJAARN CCOc1cc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)ccc1OC(F)F ZINC000002796691 568810565 /nfs/dbraw/zinc/81/05/65/568810565.db2.gz OVXWRGWHSMCARY-UHFFFAOYSA-N 0 0 416.453 4.885 50 0 HJAARN Cc1ccc(C)c(NC(=S)N2CCN(C(=S)Nc3cc(C)ccc3C)CC2)c1 ZINC000002799547 568810740 /nfs/dbraw/zinc/81/07/40/568810740.db2.gz QAULEHVAJHYIBQ-UHFFFAOYSA-N 0 0 412.628 4.632 50 0 HJAARN Cc1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](C1CC1)N2C(=O)c1cc(-c2ccccc2)on1 ZINC000002803156 568811254 /nfs/dbraw/zinc/81/12/54/568811254.db2.gz GJSUIHBCHFDFLD-WMZOPIPTSA-N 0 0 416.403 4.779 50 0 HJAARN Cc1ccc(-c2noc(CSCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1 ZINC000028908214 568813026 /nfs/dbraw/zinc/81/30/26/568813026.db2.gz MXLRSTPILBWTKS-UHFFFAOYSA-N 0 0 407.417 4.936 50 0 HJAARN CC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccc(C)cc2C)C3=O)c1 ZINC000002878905 568814089 /nfs/dbraw/zinc/81/40/89/568814089.db2.gz CBTHLJRDTIJMOD-UHFFFAOYSA-N 0 0 400.434 4.855 50 0 HJAARN Cc1c(C(=O)Nc2cccc(C)c2)sc2ncn(Cc3ccccc3F)c(=O)c12 ZINC000002910993 568815900 /nfs/dbraw/zinc/81/59/00/568815900.db2.gz AKQBLBCZLJLBTO-UHFFFAOYSA-N 0 0 407.470 4.515 50 0 HJAARN Cc1ccc2c(c1)C1=Nc3ncnn3[C@H](c3ccccc3)C1[C@H](c1cccc(F)c1)O2 ZINC000002916813 568816377 /nfs/dbraw/zinc/81/63/77/568816377.db2.gz ADWXJAPAWCDCFI-RPWUZVMVSA-N 0 0 410.452 4.938 50 0 HJAARN FC(F)Oc1ccccc1[C@H]1C[C@@H](c2cccc(Br)c2)Nc2ncnn21 ZINC000002918214 568816589 /nfs/dbraw/zinc/81/65/89/568816589.db2.gz ORFFTVRLIRPJRA-LSDHHAIUSA-N 0 0 421.245 4.788 50 0 HJAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC(=O)[C@@]21C ZINC000257347260 568817592 /nfs/dbraw/zinc/81/75/92/568817592.db2.gz BNXKKGNFJUFIND-UBCCUOIZSA-N 0 0 404.591 4.775 50 0 HJAARN CC(=O)OC[C@H](OC(C)=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257350092 568817717 /nfs/dbraw/zinc/81/77/17/568817717.db2.gz URKJWXDOTCRSDL-MNJXKVJFSA-N 0 0 420.590 4.645 50 0 HJAARN COc1ccc2nc(NC(=O)Cn3c(C)c(C(C)=O)cc3-c3ccccc3)sc2c1 ZINC000002929533 568818133 /nfs/dbraw/zinc/81/81/33/568818133.db2.gz YTLIUSYKMRBTOV-UHFFFAOYSA-N 0 0 419.506 4.923 50 0 HJAARN CCc1ccc(NC(=O)[C@H](CC)Sc2nc3ccsc3c(=O)n2C2CC2)cc1 ZINC000002932524 568818460 /nfs/dbraw/zinc/81/84/60/568818460.db2.gz QCVQCJQHBYBBLS-KRWDZBQOSA-N 0 0 413.568 4.865 50 0 HJAARN CC(=O)Oc1ccc(/C=C2\N=C(/C=C/c3cccc(Cl)c3Cl)OC2=O)cc1 ZINC000002945055 568819775 /nfs/dbraw/zinc/81/97/75/568819775.db2.gz SIEVPZGJTFAAEF-RMTJHLMQSA-N 0 0 402.233 4.928 50 0 HJAARN Cc1ccc(C2=NC(=CNc3cccc(C(=O)N(C)c4ccccc4)c3)C(=O)O2)cc1 ZINC000002946244 568819909 /nfs/dbraw/zinc/81/99/09/568819909.db2.gz PSADSBQZTFAMFQ-CJLVFECKSA-N 0 0 411.461 4.529 50 0 HJAARN Cc1ccc(OCc2nc3ccccc3n2C[C@H](O)COc2ccc(C)c(C)c2)cc1 ZINC000082086808 568821003 /nfs/dbraw/zinc/82/10/03/568821003.db2.gz CWSQBFQPUMSWMO-NRFANRHFSA-N 0 0 416.521 4.980 50 0 HJAARN Cc1cc(C(=O)Cn2c3ccccc3nc2C(F)(F)F)c(C)n1C[C@H]1CCCO1 ZINC000029299959 568824085 /nfs/dbraw/zinc/82/40/85/568824085.db2.gz KQGOXAYUNARVMV-OAHLLOKOSA-N 0 0 405.420 4.535 50 0 HJAARN CC[C@H](C)NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1[C@@H]1CCCC[C@@H]1C ZINC000005829873 568824766 /nfs/dbraw/zinc/82/47/66/568824766.db2.gz OOFAIBVQRYGKQH-TXPKVOOTSA-N 0 0 416.591 4.712 50 0 HJAARN CC1(C)Cc2c(sc3nc(SCc4ccccc4)n4c(=S)[nH]nc4c23)CO1 ZINC000005862425 568826458 /nfs/dbraw/zinc/82/64/58/568826458.db2.gz DQAOHLQRDSDMLD-UHFFFAOYSA-N 0 0 414.581 4.771 50 0 HJAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)[C@@H]1C ZINC000005865129 568826875 /nfs/dbraw/zinc/82/68/75/568826875.db2.gz AJBJYIWZJYWDJP-CKEIUWERSA-N 0 0 416.345 4.637 50 0 HJAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000005887371 568827958 /nfs/dbraw/zinc/82/79/58/568827958.db2.gz JGPLWFYBUFGIAD-UHFFFAOYSA-N 0 0 412.421 4.536 50 0 HJAARN Cc1nc2ccccn2c1-c1nnc2sc(COc3cccc4ccccc43)nn21 ZINC000227143588 568827989 /nfs/dbraw/zinc/82/79/89/568827989.db2.gz WDLLHISDQIQFND-UHFFFAOYSA-N 0 0 412.478 4.541 50 0 HJAARN COc1ccc(N(C(=O)c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000005884208 568828122 /nfs/dbraw/zinc/82/81/22/568828122.db2.gz XPGKYPQBYKKHMV-UHFFFAOYSA-N 0 0 415.898 4.693 50 0 HJAARN CCCN1C(=O)/C(=C\c2cccc(OCC)c2O)SC1=Nc1ccc(OC)cc1 ZINC000005892134 568828430 /nfs/dbraw/zinc/82/84/30/568828430.db2.gz DDEWMRMAJKRPQH-VUARGGTQSA-N 0 0 412.511 4.814 50 0 HJAARN O=C(NCc1ccc(COCC(F)(F)F)cc1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000029725829 568828698 /nfs/dbraw/zinc/82/86/98/568828698.db2.gz OIFHRDWRZIUYNC-CABCVRRESA-N 0 0 412.374 4.686 50 0 HJAARN O=S(=O)(c1nc(-c2ccccc2)oc1NCCc1ccccc1)c1ccccc1 ZINC000005900147 568828801 /nfs/dbraw/zinc/82/88/01/568828801.db2.gz XALQAVWYAPHRFT-UHFFFAOYSA-N 0 0 404.491 4.829 50 0 HJAARN C[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(F)cc1F ZINC000057363701 568829168 /nfs/dbraw/zinc/82/91/68/568829168.db2.gz FYCXWLRCHZSNLA-OAHLLOKOSA-N 0 0 409.436 4.506 50 0 HJAARN C[C@@H]1CCN(C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)[C@H](C)C1 ZINC000005919899 568829620 /nfs/dbraw/zinc/82/96/20/568829620.db2.gz KEYHMKCBCWRRKO-ZIAGYGMSSA-N 0 0 402.420 4.676 50 0 HJAARN COc1ccc2oc(=O)c(-c3nnc(Nc4ccc(F)c(Cl)c4)s3)cc2c1 ZINC000002956127 568829713 /nfs/dbraw/zinc/82/97/13/568829713.db2.gz CTOYXDOURKKEGO-UHFFFAOYSA-N 0 0 403.822 4.856 50 0 HJAARN COc1ccc2oc(=O)c(-c3csc(Nc4ccc(OC)c(OC)c4)n3)cc2c1 ZINC000002956170 568829719 /nfs/dbraw/zinc/82/97/19/568829719.db2.gz NASYIAZJAIJZFK-UHFFFAOYSA-N 0 0 410.451 4.686 50 0 HJAARN Cc1cc(NC(=O)CN[C@@H](c2cccs2)c2ccccc2)n(-c2ccc(C)cc2)n1 ZINC000057392031 568831570 /nfs/dbraw/zinc/83/15/70/568831570.db2.gz WTRALMWWKPECQT-XMMPIXPASA-N 0 0 416.550 4.868 50 0 HJAARN O=C(Nn1c(=O)c2ccccc2nc1SCc1ccc(Cl)cc1)c1ccccc1 ZINC000002971451 568831931 /nfs/dbraw/zinc/83/19/31/568831931.db2.gz WQCWTTUTXKIQKL-UHFFFAOYSA-N 0 0 421.909 4.726 50 0 HJAARN Cc1ccc(C)c(NC(=O)CSc2nc3ccsc3c(=O)n2CCC(C)C)c1 ZINC000057426038 568834944 /nfs/dbraw/zinc/83/49/44/568834944.db2.gz CRHRKOSWKXZXIR-UHFFFAOYSA-N 0 0 415.584 4.852 50 0 HJAARN CC[C@H](C)NC(=O)c1cc2c3ccccc3[nH]c2c(-c2cc(OC)ccc2OC)n1 ZINC000006005151 568835075 /nfs/dbraw/zinc/83/50/75/568835075.db2.gz CHAKRYQENMOYCY-AWEZNQCLSA-N 0 0 403.482 4.929 50 0 biogenic HJAARN CCCCn1c(=O)c2sccc2nc1SCC(=O)Nc1cccc(Cl)c1 ZINC000057426379 568835324 /nfs/dbraw/zinc/83/53/24/568835324.db2.gz YVLUYAYWNXBLDM-UHFFFAOYSA-N 0 0 407.948 4.642 50 0 HJAARN CCc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)CC(C)C)cc1 ZINC000003006502 568837273 /nfs/dbraw/zinc/83/72/73/568837273.db2.gz HQYODVQZJWPIEW-JOCHJYFZSA-N 0 0 411.542 4.817 50 0 HJAARN C[C@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000031688948 568837888 /nfs/dbraw/zinc/83/78/88/568837888.db2.gz LFKRRYCRQYSQFE-AWEZNQCLSA-N 0 0 406.515 4.863 50 0 HJAARN COc1cccc(-n2ccnc2S[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)c1 ZINC000012520099 568841003 /nfs/dbraw/zinc/84/10/03/568841003.db2.gz GJONLSUCYIHBIO-FQEVSTJZSA-N 0 0 420.494 4.649 50 0 HJAARN CCCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000003024543 568841079 /nfs/dbraw/zinc/84/10/79/568841079.db2.gz HMVGMJPKFMRDGX-UHFFFAOYSA-N 0 0 406.523 4.506 50 0 HJAARN C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2Cl)c1 ZINC000003024431 568841116 /nfs/dbraw/zinc/84/11/16/568841116.db2.gz RUQFDVSFLQYRBR-UGSOOPFHSA-N 0 0 424.925 4.588 50 0 HJAARN Cc1cc(NC(=O)[C@@H](Sc2nccn2-c2cccc(C)c2)c2ccccc2)no1 ZINC000012520587 568841348 /nfs/dbraw/zinc/84/13/48/568841348.db2.gz JYUIBJCGIUFKMK-FQEVSTJZSA-N 0 0 404.495 4.949 50 0 HJAARN O=c1c2cc(Br)ccc2nc(SCc2cccnc2)n1-c1ccccc1 ZINC000012522895 568842347 /nfs/dbraw/zinc/84/23/47/568842347.db2.gz BIJYXGHSJYVYSW-UHFFFAOYSA-N 0 0 424.323 4.836 50 0 HJAARN O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)Nc1cc(F)ccc1F ZINC000057486713 568842497 /nfs/dbraw/zinc/84/24/97/568842497.db2.gz LRQDSSSRAVYGPL-UHFFFAOYSA-N 0 0 414.799 4.775 50 0 HJAARN CCc1ccc(CNC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000057486760 568842616 /nfs/dbraw/zinc/84/26/16/568842616.db2.gz WUUPFWWAXCTBJO-UHFFFAOYSA-N 0 0 420.900 4.737 50 0 HJAARN O=C1[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3)N2C(=S)N1Cc1ccccc1 ZINC000002091373 568844311 /nfs/dbraw/zinc/84/43/11/568844311.db2.gz KQHVBWOSAYSHTI-LADGPHEKSA-N 0 0 423.541 4.811 50 0 biogenic HJAARN O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)NC2CCCCCC2)ccc1F ZINC000003031204 568844593 /nfs/dbraw/zinc/84/45/93/568844593.db2.gz CKEBAVGHOKTHAY-UHFFFAOYSA-N 0 0 424.925 4.733 50 0 HJAARN Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N[C@H]3CCCC[C@@H]3C)ccc2F)c1 ZINC000003031157 568844621 /nfs/dbraw/zinc/84/46/21/568844621.db2.gz SJFSYMLFFWMYFF-YWZLYKJASA-N 0 0 418.534 4.552 50 0 HJAARN CN(Cc1ccc(Cl)s1)C(=O)CSc1nc2ccccc2n1C(F)F ZINC000012535202 568844911 /nfs/dbraw/zinc/84/49/11/568844911.db2.gz YUAVHOHRLHKGAL-UHFFFAOYSA-N 0 0 401.891 4.897 50 0 HJAARN Cc1nc2c(C(=O)N[C@H]3CCCC[C@H]3C)cnn2c(C)c1Cc1ccccc1Cl ZINC000003033381 568845164 /nfs/dbraw/zinc/84/51/64/568845164.db2.gz YJJUNMZWYUWNEB-SZNDQCEHSA-N 0 0 410.949 4.899 50 0 HJAARN Cc1cc(C)c(Cc2c(C)nc3c(C(=O)NC4CCCCC4)cnn3c2C)c(C)c1 ZINC000003035563 568845532 /nfs/dbraw/zinc/84/55/32/568845532.db2.gz JESDSNMYUUGUQZ-UHFFFAOYSA-N 0 0 404.558 4.925 50 0 HJAARN Cc1ccc(CN2C(=O)CN(C3CCC(C)CC3)C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000003038528 568845973 /nfs/dbraw/zinc/84/59/73/568845973.db2.gz IXDTUIFKSJGHTN-RWRPHHHKSA-N 0 0 408.517 4.625 50 0 HJAARN CC1CCC(N2CC(=O)N(C3CCCCC3)[C@@H](c3ccc(Cl)cc3)C2=O)CC1 ZINC000003038632 568846138 /nfs/dbraw/zinc/84/61/38/568846138.db2.gz CPXQUDGRNRLKDJ-NZBFNNPHSA-N 0 0 402.966 4.963 50 0 HJAARN CC(=O)c1cccc(NC(=O)COC(=O)c2c(Cl)ccc(Cl)c2Cl)c1 ZINC000003221263 568847404 /nfs/dbraw/zinc/84/74/04/568847404.db2.gz ZTNFYEILXRXMHV-UHFFFAOYSA-N 0 0 400.645 4.645 50 0 HJAARN O=C(COC(=O)c1cc(Br)ccc1O)c1ccc(-c2ccccc2)cc1 ZINC000003225208 568847512 /nfs/dbraw/zinc/84/75/12/568847512.db2.gz NOJMUUPLWRLEPI-UHFFFAOYSA-N 0 0 411.251 4.861 50 0 HJAARN COc1cc2c(cc1NC(=O)COC(=O)CCc1ccccc1)oc1ccccc12 ZINC000003240627 568847912 /nfs/dbraw/zinc/84/79/12/568847912.db2.gz DDOZWNJNPBPYHG-UHFFFAOYSA-N 0 0 403.434 4.709 50 0 HJAARN O=C(Nc1ccc(F)cc1F)c1cc(Cl)c(=O)n(Cc2cccc(Cl)c2)c1 ZINC000003041786 568847953 /nfs/dbraw/zinc/84/79/53/568847953.db2.gz BHKADTLDFDQQEV-UHFFFAOYSA-N 0 0 409.219 4.734 50 0 HJAARN O=C(NCc1ccccc1Cl)c1ccc(-n2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000003043847 568848400 /nfs/dbraw/zinc/84/84/00/568848400.db2.gz QPKLNYBPJKHZQD-UHFFFAOYSA-N 0 0 421.909 4.632 50 0 HJAARN COc1cc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc(Cl)c1OC(C)C ZINC000012541487 568848532 /nfs/dbraw/zinc/84/85/32/568848532.db2.gz XYLJKWBCILKLIB-HNNXBMFYSA-N 0 0 413.905 4.813 50 0 HJAARN O=C1C2=CN=C(c3ccc(Cl)cc3)S[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000003047130 568848977 /nfs/dbraw/zinc/84/89/77/568848977.db2.gz XHXFTFPHBIGSOC-OAHLLOKOSA-N 0 0 422.815 4.678 50 0 HJAARN C[C@H](OC(=O)c1ccc(Cl)cc1N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003275013 568850493 /nfs/dbraw/zinc/85/04/93/568850493.db2.gz ONKFFUTYLNFOJD-QMMMGPOBSA-N 0 0 421.202 4.778 50 0 HJAARN CCc1cc(=O)n(CC(=O)Nc2cccc(Cl)c2C)c(-c2cccc(Cl)c2)n1 ZINC000057527700 568850787 /nfs/dbraw/zinc/85/07/87/568850787.db2.gz PGDNYNMGPVWOIJ-UHFFFAOYSA-N 0 0 416.308 4.727 50 0 HJAARN CC(C)(C)NC(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000003284474 568851890 /nfs/dbraw/zinc/85/18/90/568851890.db2.gz ZPYMETRQJYZMSM-UHFFFAOYSA-N 0 0 402.903 4.688 50 0 HJAARN CC(C)c1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000003291450 568852683 /nfs/dbraw/zinc/85/26/83/568852683.db2.gz PJGRORBQBFTKLV-UHFFFAOYSA-N 0 0 400.784 4.673 50 0 HJAARN CC(=O)N1CCc2cc(NC(=O)c3cnn(-c4cccc(Cl)c4)c3C(C)C)ccc21 ZINC000012551821 568853821 /nfs/dbraw/zinc/85/38/21/568853821.db2.gz JWXVADMSMJOUQO-UHFFFAOYSA-N 0 0 422.916 4.810 50 0 HJAARN O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1cc(Cl)ccc1Cl ZINC000003312919 568853975 /nfs/dbraw/zinc/85/39/75/568853975.db2.gz QYCBINJBLQWKTF-UHFFFAOYSA-N 0 0 405.281 4.979 50 0 HJAARN CSc1nn(-c2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)c(=S)s1 ZINC000003324846 568854589 /nfs/dbraw/zinc/85/45/89/568854589.db2.gz FPNRVLBPSMAXIF-UHFFFAOYSA-N 0 0 407.973 4.969 50 0 HJAARN CN(C)C(=O)[C@@H](Sc1nc(-c2ccc(Br)cc2)c[nH]1)c1ccccc1 ZINC000012556670 568855718 /nfs/dbraw/zinc/85/57/18/568855718.db2.gz XDGZMBGSVWBBRH-KRWDZBQOSA-N 0 0 416.344 4.761 50 0 HJAARN O=C(Nc1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)c1ccc(F)cc1 ZINC000003111107 568856411 /nfs/dbraw/zinc/85/64/11/568856411.db2.gz QFLJAKFTRCXLOK-UHFFFAOYSA-N 0 0 423.387 4.930 50 0 HJAARN O=C(Nc1ccc(F)c(Cl)c1)Nc1c(=O)oc2ccccc2c1N1CCCC1 ZINC000057630881 568856545 /nfs/dbraw/zinc/85/65/45/568856545.db2.gz IYZVYFGDVADCKO-UHFFFAOYSA-N 0 0 401.825 4.830 50 0 HJAARN O=C(Nc1ccc(Br)cc1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000012559343 568857181 /nfs/dbraw/zinc/85/71/81/568857181.db2.gz XVVBGQGFWAILHO-UHFFFAOYSA-N 0 0 422.282 4.928 50 0 HJAARN COc1ccccc1[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1nccn1C ZINC000012559994 568857213 /nfs/dbraw/zinc/85/72/13/568857213.db2.gz RCNORJSAGKTMGA-KRWDZBQOSA-N 0 0 405.285 4.647 50 0 HJAARN COc1ccc(-c2nnc(SCC(=O)NCCC3=CCCCC3)n2C(C)C)cc1 ZINC000003361426 568857375 /nfs/dbraw/zinc/85/73/75/568857375.db2.gz OEDARDOKSAOSJI-UHFFFAOYSA-N 0 0 414.575 4.633 50 0 HJAARN C[C@@H](c1nnc(-c2cccs2)o1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057718057 568858772 /nfs/dbraw/zinc/85/87/72/568858772.db2.gz CPHFZLPQLUJFSY-ZDUSSCGKSA-N 0 0 408.449 4.700 50 0 HJAARN COc1ccc(CNC(=O)CSc2ncnc3sc(-c4ccccc4)cc32)cc1 ZINC000003425138 568858843 /nfs/dbraw/zinc/85/88/43/568858843.db2.gz FEJNSXUBAQBONP-UHFFFAOYSA-N 0 0 421.547 4.775 50 0 HJAARN CC(C)CC(=O)N[C@@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000003176754 568859950 /nfs/dbraw/zinc/85/99/50/568859950.db2.gz NJSOEEVRQVVWAC-GFCCVEGCSA-N 0 0 402.547 4.720 50 0 HJAARN O=C(NCCOc1ccccc1F)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000012567069 568860460 /nfs/dbraw/zinc/86/04/60/568860460.db2.gz APSGWFFDCTVKMG-UHFFFAOYSA-N 0 0 415.468 4.546 50 0 HJAARN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2Cc2ccccc2)c1 ZINC000003495775 568861255 /nfs/dbraw/zinc/86/12/55/568861255.db2.gz AAWFXXYVGRKXSQ-UHFFFAOYSA-N 0 0 422.550 4.559 50 0 HJAARN CCOC(=O)c1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)s1 ZINC000003203465 568861599 /nfs/dbraw/zinc/86/15/99/568861599.db2.gz BMRFKGGTRYFDJS-UHFFFAOYSA-N 0 0 411.508 4.886 50 0 HJAARN Nc1c(C(=O)Nc2ccc(F)cc2)c2nc3ccccc3nc2n1Cc1ccccc1 ZINC000003213252 568862157 /nfs/dbraw/zinc/86/21/57/568862157.db2.gz VJJSVZLRZVGMFJ-UHFFFAOYSA-N 0 0 411.440 4.606 50 0 HJAARN COc1ccc(OC)c(-c2csc(NC(=O)c3ccccc3Br)n2)c1 ZINC000003559298 568862206 /nfs/dbraw/zinc/86/22/06/568862206.db2.gz UCXUGKFLFMVJII-UHFFFAOYSA-N 0 0 419.300 4.842 50 0 HJAARN O=C(COC(=O)c1cc(Cl)cc(Cl)c1)N1CCC(Cc2ccccc2)CC1 ZINC000003214466 568862429 /nfs/dbraw/zinc/86/24/29/568862429.db2.gz LEDYGABNHUPSCQ-UHFFFAOYSA-N 0 0 406.309 4.632 50 0 HJAARN CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)COc1ccc(Cl)cc1 ZINC000003216032 568862521 /nfs/dbraw/zinc/86/25/21/568862521.db2.gz WEDUYTHQLCCNKU-UHFFFAOYSA-N 0 0 418.902 4.761 50 0 HJAARN Cc1nn(-c2ccccc2)c2sc(C(=O)NCCc3c[nH]c4ccccc34)cc12 ZINC000003216612 568862796 /nfs/dbraw/zinc/86/27/96/568862796.db2.gz PYIWQIBXMFNTQD-UHFFFAOYSA-N 0 0 400.507 4.849 50 0 HJAARN Cc1nc(NC(=O)c2cccc3c2O[C@H](C)[C@H]3C)sc1-c1nccn1C(F)F ZINC000012578265 568863316 /nfs/dbraw/zinc/86/33/16/568863316.db2.gz DOMRHIQUYZYDOW-MWLCHTKSSA-N 0 0 404.442 4.847 50 0 HJAARN CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1 ZINC000003224427 568863886 /nfs/dbraw/zinc/86/38/86/568863886.db2.gz INSJOOWLQCMSKO-INIZCTEOSA-N 0 0 413.901 4.925 50 0 HJAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1[C@@H]1NC(=O)c2ccccc2N1 ZINC000003225056 568864140 /nfs/dbraw/zinc/86/41/40/568864140.db2.gz VSNCHLCADQLDPL-KRWDZBQOSA-N 0 0 406.795 4.707 50 0 HJAARN CC[C@@](C)(C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)Cc1cccs1 ZINC000003625967 568864707 /nfs/dbraw/zinc/86/47/07/568864707.db2.gz IZEXJVNTAJPJDP-QFIPXVFZSA-N 0 0 418.628 4.999 50 0 HJAARN CCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1-c1ccc(C)cc1 ZINC000003229681 568864747 /nfs/dbraw/zinc/86/47/47/568864747.db2.gz SBGCMRKCQKSCSJ-UHFFFAOYSA-N 0 0 417.461 4.634 50 0 HJAARN CC[C@](C)(C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)Cc1cccs1 ZINC000003625969 568864749 /nfs/dbraw/zinc/86/47/49/568864749.db2.gz IZEXJVNTAJPJDP-JOCHJYFZSA-N 0 0 418.628 4.999 50 0 HJAARN CC[C@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3ccc(C(C)(C)C)cc3)N2C1=O ZINC000003636709 568865094 /nfs/dbraw/zinc/86/50/94/568865094.db2.gz AIFBFOSVAYAEPS-MJGOQNOKSA-N 0 0 414.571 4.974 50 0 HJAARN CCOc1ccc([C@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3nc(N)nn32)cc1 ZINC000003642459 568865619 /nfs/dbraw/zinc/86/56/19/568865619.db2.gz OWKMXQWWXXCDGZ-DLBZAZTESA-N 0 0 404.301 4.712 50 0 HJAARN CC1=Nc2nc(-c3ccccc3)nn2[C@@H](c2ccccc2)C1C(=O)OCc1ccccc1 ZINC000012584414 568865796 /nfs/dbraw/zinc/86/57/96/568865796.db2.gz VDGWQAFUGPTCHX-QHCPKHFHSA-N 0 0 422.488 4.977 50 0 HJAARN O=C(CN1C(=O)c2cccc3cccc1c23)NCCSCc1ccc(Cl)cc1 ZINC000003644818 568866018 /nfs/dbraw/zinc/86/60/18/568866018.db2.gz ZXSYYUBEARUYKH-UHFFFAOYSA-N 0 0 410.926 4.503 50 0 HJAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN1CCc2ccccc2C1 ZINC000012585882 568866279 /nfs/dbraw/zinc/86/62/79/568866279.db2.gz WLPQOMWWFSVMMW-UHFFFAOYSA-N 0 0 420.534 4.589 50 0 HJAARN Cc1ccc(COc2ccc(/C=C3\NC(=S)N(C4CCCCC4)C3=O)cc2)cc1 ZINC000003662813 568867222 /nfs/dbraw/zinc/86/72/22/568867222.db2.gz QLZHJHVPEXBDFK-JCMHNJIXSA-N 0 0 406.551 4.964 50 0 HJAARN CCN(c1ccc(NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2N)cc1)C(C)C ZINC000003246358 568867299 /nfs/dbraw/zinc/86/72/99/568867299.db2.gz KCZSBVLEAQBEFT-UHFFFAOYSA-N 0 0 424.328 4.606 50 0 HJAARN CCOc1ccccc1Nc1nnc(SCc2ccc(C(=O)OC)cc2)s1 ZINC000003251002 568867827 /nfs/dbraw/zinc/86/78/27/568867827.db2.gz LHEGLDYWCPKQJS-UHFFFAOYSA-N 0 0 401.513 4.759 50 0 HJAARN O=C(NCCc1cccc(Cl)c1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000012593284 568868557 /nfs/dbraw/zinc/86/85/57/568868557.db2.gz BKOVGRSCQUQERW-UHFFFAOYSA-N 0 0 402.885 4.560 50 0 HJAARN O=C(COC(=O)c1cccc(Oc2ccccc2)c1)Nc1ncc(Cl)cc1Cl ZINC000003257451 568868612 /nfs/dbraw/zinc/86/86/12/568868612.db2.gz MGRSSHRPLBZMDT-UHFFFAOYSA-N 0 0 417.248 4.976 50 0 HJAARN C[C@H](NC(=O)C(=Cc1ccsc1)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000003262023 568869446 /nfs/dbraw/zinc/86/94/46/568869446.db2.gz OFNRXIYMEPLHSE-ROUUACIJSA-N 0 0 404.535 4.886 50 0 HJAARN O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1ccc(OC(F)F)cc1 ZINC000003272211 568870591 /nfs/dbraw/zinc/87/05/91/568870591.db2.gz XZNICGGSLKONBC-UHFFFAOYSA-N 0 0 412.392 4.827 50 0 HJAARN O=C(CCSc1ccc(Cl)cc1)OCC(=O)c1ccc(OC(F)F)cc1 ZINC000003273330 568870740 /nfs/dbraw/zinc/87/07/40/568870740.db2.gz RWJJJFANWOFDPG-UHFFFAOYSA-N 0 0 400.830 4.850 50 0 HJAARN Cc1ccc(C(=O)Nc2cccc(-c3nc4sc5c(c4c(=O)[nH]3)CCC5)c2)cc1 ZINC000003279695 568871537 /nfs/dbraw/zinc/87/15/37/568871537.db2.gz GLVGQUCPWRLZFK-UHFFFAOYSA-N 0 0 401.491 4.701 50 0 HJAARN CCc1nnc(NC(=O)[C@@H](Nc2ccc(C(F)(F)F)cc2Cl)C(C)C)s1 ZINC000003298981 568875791 /nfs/dbraw/zinc/87/57/91/568875791.db2.gz ACLYFAGKHWVCRQ-ZDUSSCGKSA-N 0 0 406.861 4.848 50 0 HJAARN O=C(Nc1cccc(C(=O)NCc2ccc(C(F)(F)F)cc2)c1)c1cccs1 ZINC000012624042 568877759 /nfs/dbraw/zinc/87/77/59/568877759.db2.gz VHTMDXYONIKJFH-UHFFFAOYSA-N 0 0 404.413 4.949 50 0 HJAARN Cc1ccccc1-c1nnn(CC(=O)c2c3ccccc3n(C)c2-c2ccccc2)n1 ZINC000003310378 568878326 /nfs/dbraw/zinc/87/83/26/568878326.db2.gz UGVJPWOAADAZEX-UHFFFAOYSA-N 0 0 407.477 4.690 50 0 HJAARN Cc1cc(C)cc(-n2c(N)c(C(=O)NCc3ccccc3)c3nc4ccccc4nc32)c1 ZINC000003311608 568878507 /nfs/dbraw/zinc/87/85/07/568878507.db2.gz YYKSJQWKECDOOJ-UHFFFAOYSA-N 0 0 421.504 4.703 50 0 HJAARN CC(C)(C)OC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 ZINC000003312016 568878541 /nfs/dbraw/zinc/87/85/41/568878541.db2.gz XAYBLBJBVKUMKM-UHFFFAOYSA-N 0 0 405.907 4.674 50 0 HJAARN Cc1cc(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2)c(C)n1C[C@@H]1CCCO1 ZINC000003313396 568878875 /nfs/dbraw/zinc/87/88/75/568878875.db2.gz VUSQOVPDYCXBBD-KRWDZBQOSA-N 0 0 410.297 4.630 50 0 HJAARN Cn1c2ccccc2c2c1c(=O)n(C1CCCCC1)cc2C(=O)NCc1ccco1 ZINC000004035733 568879445 /nfs/dbraw/zinc/87/94/45/568879445.db2.gz ZXDAJGAUBPUVCD-UHFFFAOYSA-N 0 0 403.482 4.521 50 0 HJAARN O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)NCc1ccccc1Cl ZINC000003320033 568880114 /nfs/dbraw/zinc/88/01/14/568880114.db2.gz RYAUMRRPOPXNGI-UHFFFAOYSA-N 0 0 412.269 4.820 50 0 HJAARN CC(C)Sc1nnc(Cn2c3ccccc3sc2=O)n1-c1cccc(Cl)c1 ZINC000004062285 568881562 /nfs/dbraw/zinc/88/15/62/568881562.db2.gz QSOZOSCQMSWTCN-UHFFFAOYSA-N 0 0 416.959 4.846 50 0 HJAARN Cc1ccc(-n2c(S[C@H]3CCOC3=O)nnc2-c2ccc(Cl)cc2)cc1Cl ZINC000003329226 568881618 /nfs/dbraw/zinc/88/16/18/568881618.db2.gz CFTPBGGANMEFGL-INIZCTEOSA-N 0 0 420.321 4.957 50 0 HJAARN COC(=O)c1nc(NC(=O)C[C@@H](c2ccsc2)n2cccc2)sc1C(C)C ZINC000263587725 568883362 /nfs/dbraw/zinc/88/33/62/568883362.db2.gz KNKQYHFXIUXVHJ-AWEZNQCLSA-N 0 0 403.529 4.534 50 0 HJAARN COc1cc(-c2nc(=O)c3c(-c4ccc(C)cc4C)csc3[nH]2)cc(OC)c1OC ZINC000003342410 568884089 /nfs/dbraw/zinc/88/40/89/568884089.db2.gz HLOFFSZZXUFQFQ-UHFFFAOYSA-N 0 0 422.506 4.961 50 0 HJAARN Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000003350835 568885650 /nfs/dbraw/zinc/88/56/50/568885650.db2.gz FSHQANRQJSPCAS-UHFFFAOYSA-N 0 0 421.444 4.764 50 0 HJAARN COc1ccc(NC(=O)[C@H](Sc2nnc3ccccn32)c2ccccc2)cc1Cl ZINC000003355306 568886517 /nfs/dbraw/zinc/88/65/17/568886517.db2.gz FKCZDNSJJIAWNZ-LJQANCHMSA-N 0 0 424.913 4.863 50 0 HJAARN O=C(COC(=O)c1cc(Cl)cc(Cl)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000003359950 568887569 /nfs/dbraw/zinc/88/75/69/568887569.db2.gz VCTFJIPEIGDZES-UHFFFAOYSA-N 0 0 408.159 4.688 50 0 HJAARN COc1cc(OC)c(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc1OC ZINC000003369928 568889727 /nfs/dbraw/zinc/88/97/27/568889727.db2.gz ICKKGHMYGXITEO-UHFFFAOYSA-N 0 0 412.482 4.800 50 0 HJAARN C[C@@H](c1nnc(SCC(=O)c2cccs2)n1-c1ccc(Cl)cc1)N(C)C ZINC000003379610 568892159 /nfs/dbraw/zinc/89/21/59/568892159.db2.gz CFNLLYZRIRMEKT-LBPRGKRZSA-N 0 0 406.964 4.580 50 0 HJAARN CCC(=O)N1N=C(c2ccco2)C[C@H]1c1cc2cc(OC)c(OC)cc2nc1Cl ZINC000058161643 568894583 /nfs/dbraw/zinc/89/45/83/568894583.db2.gz KXJVVTABNNZTBR-INIZCTEOSA-N 0 0 413.861 4.586 50 0 HJAARN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)CC(c2ccccc2)c2ccccc2)C1 ZINC000058167063 568895463 /nfs/dbraw/zinc/89/54/63/568895463.db2.gz UOMMZNBYIMIVAN-NFBKMPQASA-N 0 0 406.570 4.752 50 0 HJAARN Cc1ccsc1C(=O)O[C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000003398252 568895611 /nfs/dbraw/zinc/89/56/11/568895611.db2.gz YWBWNIUELHLTRA-JTQLQIEISA-N 0 0 408.451 4.642 50 0 HJAARN COc1ccccc1-n1c(Sc2ncnc3sccc32)nc2ccccc2c1=O ZINC000003398594 568895798 /nfs/dbraw/zinc/89/57/98/568895798.db2.gz IBRMBUDQJVNNBN-UHFFFAOYSA-N 0 0 418.503 4.550 50 0 HJAARN COc1cc([C@H]2CC(=O)Oc3ccc4c(c32)OC(C)(C)CC4=O)ccc1OC(C)C ZINC000217605022 568897902 /nfs/dbraw/zinc/89/79/02/568897902.db2.gz CIOKHZATICVHPY-MRXNPFEDSA-N 0 0 410.466 4.667 50 0 biogenic HJAARN CCc1nc2ccc(C(=O)Nc3ccccc3C(=O)NC3CCCC3)cc2nc1CC ZINC000003419667 568899704 /nfs/dbraw/zinc/89/97/04/568899704.db2.gz AOCKAWBVHLIMRC-UHFFFAOYSA-N 0 0 416.525 4.679 50 0 HJAARN Cc1cc(C)c(NC(=O)[C@]2(N3CCC3=O)CC[C@H]3Cc4ccccc4C[C@H]3C2)c(C)c1 ZINC000254847265 568899874 /nfs/dbraw/zinc/89/98/74/568899874.db2.gz ZTLLWPGTVMCZDW-WCYRKSIYSA-N 0 0 416.565 4.737 50 0 HJAARN COc1ccc(NC(=O)COc2ccc3cc(Br)ccc3c2)cc1OC ZINC000003430408 568901734 /nfs/dbraw/zinc/90/17/34/568901734.db2.gz ZAOUIBIZDYPAST-UHFFFAOYSA-N 0 0 416.271 4.637 50 0 HJAARN COc1ccc(N(Cc2nc3ccccc3s2)S(=O)(=O)c2cccs2)cc1 ZINC000003431096 568901878 /nfs/dbraw/zinc/90/18/78/568901878.db2.gz KZKRLZOCASCWGB-UHFFFAOYSA-N 0 0 416.549 4.762 50 0 HJAARN C[C@@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000003465830 568907297 /nfs/dbraw/zinc/90/72/97/568907297.db2.gz CLSHXBDJLJLJMM-MRXNPFEDSA-N 0 0 417.494 4.574 50 0 HJAARN CC(=O)Nc1cccc(NC(=O)COc2ccc3cc(Br)ccc3c2)c1 ZINC000003477020 568908193 /nfs/dbraw/zinc/90/81/93/568908193.db2.gz ZDEVLLODQMITKT-UHFFFAOYSA-N 0 0 413.271 4.578 50 0 HJAARN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3ccsc3)c2)cc1 ZINC000058305128 568910345 /nfs/dbraw/zinc/91/03/45/568910345.db2.gz PHVQSVQJTMEDHC-HNNXBMFYSA-N 0 0 414.552 4.744 50 0 HJAARN CCOc1ccccc1-c1noc(-c2cc3n(n2)C[C@H](c2ccc(C)cc2)OC3)n1 ZINC000263618080 568912430 /nfs/dbraw/zinc/91/24/30/568912430.db2.gz RDQFTALOTBKYPZ-OAQYLSRUSA-N 0 0 402.454 4.579 50 0 HJAARN CCOc1ccc([C@@H]2Cn3nc(-c4nc(-c5cccc(C)c5)no4)cc3CO2)cc1 ZINC000263618401 568912531 /nfs/dbraw/zinc/91/25/31/568912531.db2.gz SVHSMBPBTHFWII-NRFANRHFSA-N 0 0 402.454 4.579 50 0 HJAARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(Cl)cc2Cl)n2ncnc2N1 ZINC000001291773 568912772 /nfs/dbraw/zinc/91/27/72/568912772.db2.gz NGTDFCKMIVVMIR-KRWDZBQOSA-N 0 0 407.301 4.750 50 0 HJAARN CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1cc2cc3c(cc2nc1Cl)OCCO3 ZINC000001295079 568912874 /nfs/dbraw/zinc/91/28/74/568912874.db2.gz SLGPKVBCGDIDII-IBGZPJMESA-N 0 0 421.884 4.747 50 0 HJAARN CCNC(=O)COC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1 ZINC000003530426 568912975 /nfs/dbraw/zinc/91/29/75/568912975.db2.gz FOQLORUIJKOYBA-UHFFFAOYSA-N 0 0 403.887 4.671 50 0 HJAARN CCc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000003548677 568914381 /nfs/dbraw/zinc/91/43/81/568914381.db2.gz WXZOGVVKQLASIR-UHFFFAOYSA-N 0 0 408.523 4.635 50 0 HJAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@]32CCOC(C)(C)C2)c(OC)c1 ZINC000001322416 568914659 /nfs/dbraw/zinc/91/46/59/568914659.db2.gz VRFITYPURADBAC-HYBUGGRVSA-N 0 0 408.498 4.533 50 0 biogenic HJAARN CCCc1cc2c(cc1OC(=O)N(C)C)oc(C)c(-c1ccc3c(c1)OCCO3)c2=O ZINC000001322858 568914746 /nfs/dbraw/zinc/91/47/46/568914746.db2.gz SDCJGWREELOOGM-UHFFFAOYSA-N 0 0 423.465 4.553 50 0 biogenic HJAARN COc1ccc(OC)c(CN(C(=O)c2sc(-c3ccccc3)nc2C)C2CC2)c1 ZINC000025808127 568916770 /nfs/dbraw/zinc/91/67/70/568916770.db2.gz IXQBVHWSBVZMRT-UHFFFAOYSA-N 0 0 408.523 4.941 50 0 HJAARN Cc1ccc([C@@H]2CCN(C(=O)c3ccc(CS(=O)(=O)c4ccccc4C)o3)C2)cc1 ZINC000003589105 568917975 /nfs/dbraw/zinc/91/79/75/568917975.db2.gz XJHGJDQEFBIYNY-HXUWFJFHSA-N 0 0 423.534 4.500 50 0 HJAARN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 ZINC000058434668 568918841 /nfs/dbraw/zinc/91/88/41/568918841.db2.gz ZDMCHGBQXPSEAK-YKSBVNFPSA-N 0 0 421.585 4.548 50 0 HJAARN COc1cccc(C(=O)NCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 ZINC000004167075 568919595 /nfs/dbraw/zinc/91/95/95/568919595.db2.gz VURSYLDBVHHGRB-UHFFFAOYSA-N 0 0 406.429 4.810 50 0 HJAARN CCOc1ccc(OCC)c(NC(=O)CSc2ncnc3sc(C)c(C)c32)c1 ZINC000004167424 568919631 /nfs/dbraw/zinc/91/96/31/568919631.db2.gz KESZYBXITMJQBV-UHFFFAOYSA-N 0 0 417.556 4.836 50 0 HJAARN CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccccc3Br)n2)cc1 ZINC000003621412 568920654 /nfs/dbraw/zinc/92/06/54/568920654.db2.gz XVLCMSDALYZLHG-UHFFFAOYSA-N 0 0 416.300 4.783 50 0 HJAARN COC(=O)c1ccc([C@@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000045942085 568921107 /nfs/dbraw/zinc/92/11/07/568921107.db2.gz KSBMVJIXGCTXNI-JOCHJYFZSA-N 0 0 417.436 4.978 50 0 HJAARN Nc1c(C(=O)NC2CCCCC2)sc(=S)n1-c1cccc(C(F)(F)F)c1 ZINC000003632839 568921405 /nfs/dbraw/zinc/92/14/05/568921405.db2.gz JLIQZFMWPLWSFW-UHFFFAOYSA-N 0 0 401.479 4.932 50 0 HJAARN Cc1ccc(C)c(NC(=O)OCCCNC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)c1 ZINC000003639382 568921791 /nfs/dbraw/zinc/92/17/91/568921791.db2.gz ZBRDEFKGNSSCIZ-YOEHRIQHSA-N 0 0 413.345 4.949 50 0 HJAARN COc1ccc2c(c1)CCc1sc(NC(=O)c3cc(Cl)ccc3OC)nc1-2 ZINC000003651734 568922716 /nfs/dbraw/zinc/92/27/16/568922716.db2.gz PRVIRRFLPJKWAW-UHFFFAOYSA-N 0 0 400.887 4.832 50 0 HJAARN O=C1CS[C@]2(c3ccccc3N(Cc3cccc(Cl)c3)C2=O)N1c1ccccc1 ZINC000001387951 568922897 /nfs/dbraw/zinc/92/28/97/568922897.db2.gz CEPNFXAJWHMBPV-QHCPKHFHSA-N 0 0 420.921 4.820 50 0 HJAARN O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)Nc1ccc(Br)cc1 ZINC000003655970 568922921 /nfs/dbraw/zinc/92/29/21/568922921.db2.gz FKJGAADXGGNCDD-UHFFFAOYSA-N 0 0 423.266 4.867 50 0 HJAARN C[C@H](Oc1cccc(Cl)c1)C(=O)N(Cc1ccccc1F)c1ccc(Cl)nn1 ZINC000083888385 568922987 /nfs/dbraw/zinc/92/29/87/568922987.db2.gz MPPPBGSRRIXTMR-ZDUSSCGKSA-N 0 0 420.271 4.923 50 0 HJAARN Cc1cccc(NC(=O)c2cc3c(n(-c4ccccc4)c2=O)CC(C)(C)CC3=O)c1 ZINC000003659195 568923277 /nfs/dbraw/zinc/92/32/77/568923277.db2.gz LFKNHWRYJHBNGA-UHFFFAOYSA-N 0 0 400.478 4.553 50 0 HJAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2nc3ccccc3s2)c1 ZINC000012733150 568923338 /nfs/dbraw/zinc/92/33/38/568923338.db2.gz SNKNQYWMFDRSHC-QGZVFWFLSA-N 0 0 414.552 4.769 50 0 HJAARN COc1ccc(CCN(Cc2cccnc2)C(=S)Nc2ccc(C)cc2)cc1OC ZINC000003665473 568924184 /nfs/dbraw/zinc/92/41/84/568924184.db2.gz COIGAKHZNVGHPE-UHFFFAOYSA-N 0 0 421.566 4.849 50 0 HJAARN O=S(=O)(NCc1cc(-c2ccccc2Cl)no1)c1cc(Cl)ccc1Cl ZINC000001393799 568925053 /nfs/dbraw/zinc/92/50/53/568925053.db2.gz FNXSYDYPIMCSDQ-UHFFFAOYSA-N 0 0 417.701 4.780 50 0 HJAARN COc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1OC ZINC000031388886 568925219 /nfs/dbraw/zinc/92/52/19/568925219.db2.gz GIUCGQUZCJTRJE-QGZVFWFLSA-N 0 0 424.522 4.640 50 0 HJAARN COc1cccc(-c2c[nH]c([C@H]3CCCN3C(=O)C[C@@H]3CCOc4ccccc43)n2)c1 ZINC000083973758 568929231 /nfs/dbraw/zinc/92/92/31/568929231.db2.gz BAQPDALSLIAGOY-HTAPYJJXSA-N 0 0 417.509 4.705 50 0 HJAARN CCCCCCOc1ccc(/C=C/C(=O)NCCc2nc3ccccc3[nH]2)cc1OC ZINC000003946870 568929866 /nfs/dbraw/zinc/92/98/66/568929866.db2.gz ZSTUQWBNFKTBDY-WYMLVPIESA-N 0 0 421.541 4.903 50 0 HJAARN CCn1cc(-c2cc(C(=O)Nc3ccc(OC)cc3C)c3ccccc3n2)c(C)n1 ZINC000002802952 568932433 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CCc1nc2c3cc(OC)c(OC)cc3nc(SC/C=C/c3ccccc3)n2n1 ZINC000004050924 568936399 /nfs/dbraw/zinc/93/63/99/568936399.db2.gz SZLHYWGOKHIPFS-DHZHZOJOSA-N 0 0 406.511 4.663 50 0 HJAARN Cc1ccc(C)c(Cn2cc(SCC(=O)NC[C@@H]3CCCO3)c3ccccc32)c1 ZINC000004060872 568936893 /nfs/dbraw/zinc/93/68/93/568936893.db2.gz VIMGTOXFNIDOMW-FQEVSTJZSA-N 0 0 408.567 4.694 50 0 HJAARN Cc1ccc2c(Br)cc(Br)c(OC(=O)N3CCCC3)c2n1 ZINC000001424319 568938865 /nfs/dbraw/zinc/93/88/65/568938865.db2.gz OQJCYZUKVGVFKI-UHFFFAOYSA-N 0 0 414.097 4.663 50 0 HJAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Br)o2)CSC3)cc1 ZINC000004088701 568941329 /nfs/dbraw/zinc/94/13/29/568941329.db2.gz MRHGVUFVDHKJGI-UHFFFAOYSA-N 0 0 404.289 4.535 50 0 HJAARN Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCCCc3ccccc3)c(C)c21 ZINC000004089437 568941652 /nfs/dbraw/zinc/94/16/52/568941652.db2.gz BSYRUSYOAJUEFV-UHFFFAOYSA-N 0 0 403.478 4.756 50 0 biogenic HJAARN CCCCCC[C@H](NC(=O)OCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000004092785 568942415 /nfs/dbraw/zinc/94/24/15/568942415.db2.gz 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CCCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015678204 568965949 /nfs/dbraw/zinc/96/59/49/568965949.db2.gz OTOYEXMFSSKXRQ-DEOSSOPVSA-N 0 0 411.546 4.602 50 0 HJAARN Cc1ccc(NC(=O)CN2c3cccnc3Sc3ccccc3C2=O)cc1Cl ZINC000015678009 568966145 /nfs/dbraw/zinc/96/61/45/568966145.db2.gz JIPPUMZBAIAXSN-UHFFFAOYSA-N 0 0 409.898 4.794 50 0 HJAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000001439711 568966274 /nfs/dbraw/zinc/96/62/74/568966274.db2.gz AGOLFDNGSYCOJP-GOSISDBHSA-N 0 0 406.935 4.546 50 0 HJAARN CC(C)c1cc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)c2ccccc2n1 ZINC000007989334 568966313 /nfs/dbraw/zinc/96/63/13/568966313.db2.gz WJXQKKUFMZSZTH-UHFFFAOYSA-N 0 0 402.903 4.667 50 0 HJAARN Cc1cc(-c2ccccc2)nc(SCC(=O)c2ccc(N3CCCC3=O)cc2)n1 ZINC000007996055 568967328 /nfs/dbraw/zinc/96/73/28/568967328.db2.gz AVCVYBGRGUVLGQ-UHFFFAOYSA-N 0 0 403.507 4.554 50 0 HJAARN COc1cccc(CNC(=O)c2nc(-c3ccc(Cl)cc3)n3c2CCCCC3)c1 ZINC000015680953 568967347 /nfs/dbraw/zinc/96/73/47/568967347.db2.gz MBAVLFXVOQJASN-UHFFFAOYSA-N 0 0 409.917 4.869 50 0 HJAARN CCOc1ccc(CCNC(=O)c2cc3cccc4c3n2C[C@H](C)S4)cc1OCC ZINC000015682035 568968567 /nfs/dbraw/zinc/96/85/67/568968567.db2.gz VTFJXOJLXNYLFS-INIZCTEOSA-N 0 0 424.566 4.905 50 0 HJAARN C[C@H]1CCCN(C(=O)CSc2nnc(Cc3cccs3)n2C2CCCCC2)C1 ZINC000012793416 568969327 /nfs/dbraw/zinc/96/93/27/568969327.db2.gz JTBDZVIJRVSPQM-INIZCTEOSA-N 0 0 418.632 4.786 50 0 HJAARN COc1ccc(-c2nc(NC(=O)c3ccc4nc(C)c(C)nc4c3)sc2C)cc1 ZINC000008061395 568971247 /nfs/dbraw/zinc/97/12/47/568971247.db2.gz UUMYUTOJBYUZBH-UHFFFAOYSA-N 0 0 404.495 4.939 50 0 HJAARN O=C(CCc1nc(-c2ccccc2)no1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008071375 568971352 /nfs/dbraw/zinc/97/13/52/568971352.db2.gz ARNPPSVSGRMZJS-QGZVFWFLSA-N 0 0 418.522 4.685 50 0 HJAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCCc1ccc(F)cc1 ZINC000008077572 568972987 /nfs/dbraw/zinc/97/29/87/568972987.db2.gz GGYUTJOLTRPIDB-UHFFFAOYSA-N 0 0 415.468 4.660 50 0 HJAARN O=C(NCCc1ccc(Cl)cc1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000008078091 568972999 /nfs/dbraw/zinc/97/29/99/568972999.db2.gz NQTGXGHOTXODBJ-UHFFFAOYSA-N 0 0 402.885 4.560 50 0 HJAARN CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)NCC3CCCCC3)o2)cc1 ZINC000008132096 568975647 /nfs/dbraw/zinc/97/56/47/568975647.db2.gz WVTRMJUEQXQUHM-MRXNPFEDSA-N 0 0 416.591 4.760 50 0 HJAARN O=C(C[C@@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O)N1CCc2ccccc21 ZINC000015721021 568976493 /nfs/dbraw/zinc/97/64/93/568976493.db2.gz XXLZPZMAUFAOMS-QHCPKHFHSA-N 0 0 400.453 4.502 50 0 HJAARN CCOc1ccc(NC(=O)C[C@@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)cc1 ZINC000015721041 568976599 /nfs/dbraw/zinc/97/65/99/568976599.db2.gz YLRIPNYIVHBSPT-QHCPKHFHSA-N 0 0 418.468 4.950 50 0 HJAARN O=C(Nc1ccc(OC(F)F)cc1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000008140679 568977111 /nfs/dbraw/zinc/97/71/11/568977111.db2.gz JIBFDIAADZAEIQ-UHFFFAOYSA-N 0 0 406.392 4.788 50 0 HJAARN C[C@@]1(c2cccc3ccccc32)NC(=O)N(Cc2cccc(Br)c2)C1=O ZINC000008156975 568978361 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COc1cccc(NCc2nnc(SC[C@@H]3CCCO3)n2C2CCCCC2)c1 ZINC000008193260 568981810 /nfs/dbraw/zinc/98/18/10/568981810.db2.gz UIYHGQKIPQJEBB-IBGZPJMESA-N 0 0 402.564 4.675 50 0 HJAARN O=C(CSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1)N1CCCC1 ZINC000008193841 568981985 /nfs/dbraw/zinc/98/19/85/568981985.db2.gz QHZUAPGTMNLXNT-UHFFFAOYSA-N 0 0 412.540 4.789 50 0 HJAARN O=C(c1ccc(-n2ccc3ccccc32)s1)N1CCN(Cc2ccccc2)CC1 ZINC000015732329 568982520 /nfs/dbraw/zinc/98/25/20/568982520.db2.gz ZLWCQWXGVSZQEO-UHFFFAOYSA-N 0 0 401.535 4.650 50 0 HJAARN Cc1nn(CC(C)C)c2sc(C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)cc12 ZINC000008231419 568984108 /nfs/dbraw/zinc/98/41/08/568984108.db2.gz SCPPQXMZXAKCNC-UHFFFAOYSA-N 0 0 424.570 4.553 50 0 HJAARN O=c1nc(CSc2nnc(C3CC3)o2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000012812332 568986839 /nfs/dbraw/zinc/98/68/39/568986839.db2.gz UVJUEIMDTRBCSY-UHFFFAOYSA-N 0 0 416.915 4.858 50 0 HJAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000008275768 568986978 /nfs/dbraw/zinc/98/69/78/568986978.db2.gz HLORHBKLQMXEKN-UHFFFAOYSA-N 0 0 405.885 4.539 50 0 HJAARN COc1nc(-c2ccccc2)nc(Cl)c1NC(=O)c1ccc(Br)cc1 ZINC000001454874 568987075 /nfs/dbraw/zinc/98/70/75/568987075.db2.gz QQFLSTWUGACHJP-UHFFFAOYSA-N 0 0 418.678 4.820 50 0 HJAARN Cc1nc2ccc(Cl)cc2cc1C(=O)N(C)Cc1cnn(Cc2ccccc2)c1 ZINC000025993851 568987754 /nfs/dbraw/zinc/98/77/54/568987754.db2.gz IVMTVUVGSHOPIJ-UHFFFAOYSA-N 0 0 404.901 4.714 50 0 HJAARN CCc1ccc(NC(=O)Cc2nc(-c3ccc(N4CCCC4=O)cc3)cs2)cc1 ZINC000008297049 568987990 /nfs/dbraw/zinc/98/79/90/568987990.db2.gz MMPLJVOXCVAKPL-UHFFFAOYSA-N 0 0 405.523 4.681 50 0 HJAARN COC(=O)c1c(C)c2ccccc2nc1COC(=O)CCCc1c[nH]c2ccccc12 ZINC000008291667 568988047 /nfs/dbraw/zinc/98/80/47/568988047.db2.gz YGZKUNXUXIJPOQ-UHFFFAOYSA-N 0 0 416.477 4.877 50 0 HJAARN CCOc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)ccc1OC ZINC000012814009 568988290 /nfs/dbraw/zinc/98/82/90/568988290.db2.gz FTJHQGXTZRSPNB-UHFFFAOYSA-N 0 0 405.376 4.551 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008310299 568988543 /nfs/dbraw/zinc/98/85/43/568988543.db2.gz JFZUEQPQCXWPCW-IBGZPJMESA-N 0 0 400.906 4.585 50 0 HJAARN O=C(Cn1c(COc2ccccc2)nc2ccccc21)NCc1ccccc1Cl ZINC000008311137 568988740 /nfs/dbraw/zinc/98/87/40/568988740.db2.gz UOTRYSBUJVCSIC-UHFFFAOYSA-N 0 0 405.885 4.585 50 0 HJAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(OCc2ccccc2)cc1 ZINC000008312497 568989129 /nfs/dbraw/zinc/98/91/29/568989129.db2.gz ZIGCWOIRPHQAGB-UHFFFAOYSA-N 0 0 402.494 4.593 50 0 HJAARN COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1ccccc1F)oc1ccccc12 ZINC000006059343 568990119 /nfs/dbraw/zinc/99/01/19/568990119.db2.gz KWJWTTTUKQOGCP-ZDUSSCGKSA-N 0 0 407.397 4.918 50 0 HJAARN O=C(c1ccccc1)c1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000008323852 568990437 /nfs/dbraw/zinc/99/04/37/568990437.db2.gz XQROOSTYPAMDMB-QFIPXVFZSA-N 0 0 413.473 4.666 50 0 HJAARN COc1ccc2[nH]cc([C@H](C(=O)[O-])[N@@H+]3CCC[C@H](c4nc5ccccc5s4)C3)c2c1 ZINC000035107765 568991969 /nfs/dbraw/zinc/99/19/69/568991969.db2.gz HHZZVUFEYUXDOR-LHSJRXKWSA-N 0 0 421.522 4.792 50 0 HJAARN Cc1noc(C)c1COc1cccc(C(=O)N[C@H]2CCSc3ccc(F)cc32)c1 ZINC000008328044 568992538 /nfs/dbraw/zinc/99/25/38/568992538.db2.gz RAFNROBEPVDQRY-FQEVSTJZSA-N 0 0 412.486 4.976 50 0 HJAARN O=C(CSc1ccccc1C(=O)NCc1ccco1)NC1CCCCCCC1 ZINC000006077552 568993076 /nfs/dbraw/zinc/99/30/76/568993076.db2.gz OBXNXHPHMDUFML-UHFFFAOYSA-N 0 0 400.544 4.531 50 0 HJAARN CC(=O)N(c1nc(CSc2nnnn2C2CCCC2)cs1)c1cccc(C)c1 ZINC000008341671 568993628 /nfs/dbraw/zinc/99/36/28/568993628.db2.gz HVXZZNDQCZKHKW-UHFFFAOYSA-N 0 0 414.560 4.530 50 0 HJAARN Cc1nc2ccc(C(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)cc2nc1C ZINC000008367449 568995475 /nfs/dbraw/zinc/99/54/75/568995475.db2.gz IQPJFEGOSHBSEL-KRWDZBQOSA-N 0 0 402.523 4.876 50 0 HJAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4cccs4)cc3)nn2)c(C)c1C ZINC000013009779 568995514 /nfs/dbraw/zinc/99/55/14/568995514.db2.gz VJVIUYYGGNDRPK-UHFFFAOYSA-N 0 0 404.499 4.645 50 0 HJAARN O=C(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)Nc1cccc(Cl)c1 ZINC000013009875 568995523 /nfs/dbraw/zinc/99/55/23/568995523.db2.gz TVOYDFLLACDPJL-UHFFFAOYSA-N 0 0 405.849 4.703 50 0 HJAARN CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000006083270 568996826 /nfs/dbraw/zinc/99/68/26/568996826.db2.gz FFLWATMRORAIJH-QHCPKHFHSA-N 0 0 404.485 4.810 50 0 HJAARN CCOc1ccc2nc(C(=O)OC)cc(Nc3ccc(Br)cc3)c2c1 ZINC000038487348 568997231 /nfs/dbraw/zinc/99/72/31/568997231.db2.gz USJLFZOJYBIXRV-UHFFFAOYSA-N 0 0 401.260 4.926 50 0 HJAARN Cc1cc(C(=O)COC(=O)COc2ccc(Cl)cc2C)c(C)n1Cc1ccco1 ZINC000006085504 568997503 /nfs/dbraw/zinc/99/75/03/568997503.db2.gz WRBSCQDLBUQWRW-UHFFFAOYSA-N 0 0 415.873 4.513 50 0 HJAARN CCOC(=O)c1cc(CC)sc1NC(=O)CCCOc1ccccc1OCC ZINC000006086070 568998035 /nfs/dbraw/zinc/99/80/35/568998035.db2.gz JICPCTWPIYMLDD-UHFFFAOYSA-N 0 0 405.516 4.684 50 0 HJAARN C[C@@H](Sc1nc(C2CCCCC2)n(-c2ccccc2)n1)C(=O)NCc1ccco1 ZINC000008391324 568998374 /nfs/dbraw/zinc/99/83/74/568998374.db2.gz YYVITZSJEFTAFC-MRXNPFEDSA-N 0 0 410.543 4.705 50 0 HJAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCc4ccccc4C3)cc12 ZINC000008392286 568998472 /nfs/dbraw/zinc/99/84/72/568998472.db2.gz LQNRXHJFWVDZHO-UHFFFAOYSA-N 0 0 405.498 4.792 50 0 HJAARN O=S(=O)(NCC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1C(F)(F)F ZINC000006087900 568998647 /nfs/dbraw/zinc/99/86/47/568998647.db2.gz CEGQLUVZBOROSD-UHFFFAOYSA-N 0 0 407.885 4.854 50 0 HJAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000008393758 568998725 /nfs/dbraw/zinc/99/87/25/568998725.db2.gz WHJISASOWATTHJ-FQEVSTJZSA-N 0 0 404.466 4.631 50 0 HJAARN Cc1c(C[NH2+]CCc2cccs2)c(C(=O)[O-])c(C)n1Cc1ccccc1Cl ZINC000015777052 568999504 /nfs/dbraw/zinc/99/95/04/568999504.db2.gz BYSIMXHXPOTAIV-UHFFFAOYSA-N 0 0 402.947 4.899 50 0 HJAARN CCOc1ccc(C[NH2+]Cc2c(C)n(Cc3ccc(OC)cc3)c(C)c2C(=O)[O-])cc1 ZINC000015777202 568999538 /nfs/dbraw/zinc/99/95/38/568999538.db2.gz JFCHUWJNXKGHSG-UHFFFAOYSA-N 0 0 422.525 4.549 50 0 HJAARN CCOc1ccc(CC[NH2+]Cc2c(C)n(Cc3cccc(C)c3)c(C)c2C(=O)[O-])cc1 ZINC000015776809 569000081 /nfs/dbraw/zinc/00/00/81/569000081.db2.gz XAZGQGPKZIRYME-UHFFFAOYSA-N 0 0 420.553 4.891 50 0 HJAARN Cc1c(C[NH2+]CCc2c[nH]c3ccccc23)c(C(=O)[O-])c(C)n1Cc1cccc(C)c1 ZINC000015776796 569000087 /nfs/dbraw/zinc/00/00/87/569000087.db2.gz HVEILSVMQOMWSR-UHFFFAOYSA-N 0 0 415.537 4.973 50 0 HJAARN O=C1OCC2=C1[C@H](c1ccc(OCc3ccccc3)cc1)CC(=O)N2c1ccccc1 ZINC000035143106 569000101 /nfs/dbraw/zinc/00/01/01/569000101.db2.gz PCTGQAQMPASFPC-QFIPXVFZSA-N 0 0 411.457 4.597 50 0 HJAARN CCOc1ccccc1NC(=O)[C@@H](Sc1nnc2n1CCCCC2)c1ccccc1 ZINC000006097073 569001362 /nfs/dbraw/zinc/00/13/62/569001362.db2.gz KKLNUDAJTYLMJH-NRFANRHFSA-N 0 0 422.554 4.875 50 0 HJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(C3CC3)n2-c2ccccc2)c1C ZINC000008429217 569002659 /nfs/dbraw/zinc/00/26/59/569002659.db2.gz UGRWCYFVFBDBDV-OAHLLOKOSA-N 0 0 408.527 4.656 50 0 HJAARN O=C(NCCc1ccccc1)c1ccccc1NCc1cc(Cl)cc2c1OCOC2 ZINC000008429458 569002684 /nfs/dbraw/zinc/00/26/84/569002684.db2.gz USEROAJBOPSDDL-UHFFFAOYSA-N 0 0 422.912 4.791 50 0 HJAARN O=C(NCC1(c2ccccc2)CCOCC1)NC(c1ccccc1)c1ccccc1 ZINC000038592246 569002916 /nfs/dbraw/zinc/00/29/16/569002916.db2.gz UMLIXPJWSBGSPV-UHFFFAOYSA-N 0 0 400.522 4.824 50 0 HJAARN O=C(NC[C@H]1CCCO1)c1cc2c3ccccc3[nH]c2c(-c2ccccc2Cl)n1 ZINC000006112714 569004935 /nfs/dbraw/zinc/00/49/35/569004935.db2.gz MZGIAKOIQVDMCU-CQSZACIVSA-N 0 0 405.885 4.945 50 0 biogenic HJAARN Cc1ccc(NC(=O)C2CCN(c3ccnc(-c4ccccc4)n3)CC2)cc1Cl ZINC000085649333 569005583 /nfs/dbraw/zinc/00/55/83/569005583.db2.gz ZKZXRBRSVRFARU-UHFFFAOYSA-N 0 0 406.917 4.961 50 0 HJAARN CCOC(=O)c1c(C)[nH]c(CCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1C ZINC000085698104 569007022 /nfs/dbraw/zinc/00/70/22/569007022.db2.gz HNSUVKISDHLTPG-UHFFFAOYSA-N 0 0 411.546 4.616 50 0 HJAARN O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1Cl)C(F)(F)F ZINC000001509335 569007521 /nfs/dbraw/zinc/00/75/21/569007521.db2.gz CPKRDFFVFOSXHO-UHFFFAOYSA-N 0 0 406.585 4.834 50 0 HJAARN COc1cc(NC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)cc(OC)c1 ZINC000015786529 569007609 /nfs/dbraw/zinc/00/76/09/569007609.db2.gz CRAQTVXTMTVJQK-UHFFFAOYSA-N 0 0 411.458 4.780 50 0 HJAARN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2cccs2)cc1 ZINC000085878846 569009709 /nfs/dbraw/zinc/00/97/09/569009709.db2.gz CAWKBSGIRPOJTR-CQSZACIVSA-N 0 0 420.442 4.677 50 0 biogenic HJAARN CCCNC(=O)c1ccccc1NC(=O)c1sc2nc(C(C)(C)C)nc(C)c2c1C ZINC000012857387 569011220 /nfs/dbraw/zinc/01/12/20/569011220.db2.gz LTRWOHMAKMVJID-UHFFFAOYSA-N 0 0 424.570 4.998 50 0 HJAARN Fc1ccc(OCc2noc(CN3CCc4sccc4[C@H]3c3ccccc3)n2)cc1 ZINC000012867882 569012233 /nfs/dbraw/zinc/01/22/33/569012233.db2.gz GBGJVMNURZQFQQ-HSZRJFAPSA-N 0 0 421.497 4.997 50 0 HJAARN O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000015835858 569013157 /nfs/dbraw/zinc/01/31/57/569013157.db2.gz SSCYFBYJQXJCFH-MRXNPFEDSA-N 0 0 411.855 4.798 50 0 HJAARN CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@H]3c3cccs3)cc2c1C ZINC000015836335 569013221 /nfs/dbraw/zinc/01/32/21/569013221.db2.gz CFINFMXFGKWTIR-INIZCTEOSA-N 0 0 419.524 4.505 50 0 HJAARN Cc1cc(-c2csc(Nc3ccc(C)c(F)c3)n2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000012873641 569013503 /nfs/dbraw/zinc/01/35/03/569013503.db2.gz YHHMNRZPRVMVAR-INIZCTEOSA-N 0 0 419.547 4.779 50 0 HJAARN COc1ccccc1-c1nnc(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc32)n1C ZINC000006147633 569014747 /nfs/dbraw/zinc/01/47/47/569014747.db2.gz GEWGKQYHQDZAHM-CQSZACIVSA-N 0 0 406.511 4.644 50 0 HJAARN Cc1ccccc1CN(C)C(=O)COC(=O)Cc1coc2ccc3ccccc3c12 ZINC000006156343 569015480 /nfs/dbraw/zinc/01/54/80/569015480.db2.gz FGNNJZVCMUZGGD-UHFFFAOYSA-N 0 0 401.462 4.639 50 0 HJAARN CCCC(=O)Nc1nc2ccc(CCC(=O)NCCCc3ccccc3)cc2s1 ZINC000015861831 569015534 /nfs/dbraw/zinc/01/55/34/569015534.db2.gz GBZWVTIANPWNJR-UHFFFAOYSA-N 0 0 409.555 4.717 50 0 HJAARN O=C(Nc1ccc(CCc2nc3ccccc3[nH]2)cc1)c1cc2ccccc2oc1=O ZINC000015861912 569015681 /nfs/dbraw/zinc/01/56/81/569015681.db2.gz BTPOLGUOOKJAPE-UHFFFAOYSA-N 0 0 409.445 4.707 50 0 HJAARN Cc1nn(-c2nc3ccccc3[nH]2)c2c1[C@H](c1cccc(Cl)c1Cl)CC(=O)N2 ZINC000015868325 569017019 /nfs/dbraw/zinc/01/70/19/569017019.db2.gz PREKEMHJKJNMGO-LBPRGKRZSA-N 0 0 412.280 4.838 50 0 HJAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cccs3)sc2c1 ZINC000015868333 569017033 /nfs/dbraw/zinc/01/70/33/569017033.db2.gz PCEOZVPKDQXQKI-CYBMUJFWSA-N 0 0 410.524 4.725 50 0 HJAARN Cc1ccc(S(=O)(=O)Nc2ccc(CCc3nc4ccccc4n3C)cc2)c(C)c1 ZINC000015870650 569017237 /nfs/dbraw/zinc/01/72/37/569017237.db2.gz SXQLKQQFOVUVSR-UHFFFAOYSA-N 0 0 419.550 4.776 50 0 HJAARN Cc1cccc(NC(=O)Cc2csc(NC(=O)Nc3ccc(Cl)cc3)n2)c1 ZINC000015880633 569018260 /nfs/dbraw/zinc/01/82/60/569018260.db2.gz MMFAQQASMCUNPS-UHFFFAOYSA-N 0 0 400.891 4.930 50 0 HJAARN O=C(Cc1csc(NC(=O)Nc2ccccc2)n1)Nc1ccc(F)c(Cl)c1 ZINC000015880583 569018271 /nfs/dbraw/zinc/01/82/71/569018271.db2.gz DOLWXVJJFVVASZ-UHFFFAOYSA-N 0 0 404.854 4.761 50 0 HJAARN CCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(C(F)(F)F)cc2)o1 ZINC000015881395 569018461 /nfs/dbraw/zinc/01/84/61/569018461.db2.gz AIORRHKBCPLANC-UHFFFAOYSA-N 0 0 414.387 4.911 50 0 HJAARN 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422.293 4.977 50 0 HJAARN CCn1cc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2O)c(C)n1 ZINC000253534524 569058282 /nfs/dbraw/zinc/05/82/82/569058282.db2.gz KQSUPNWTORYXDA-VVIOUKHQSA-N 0 0 412.618 4.969 50 0 HJAARN O=C(COC(=O)c1cccc(Br)c1)Nc1cc(Cl)ccc1Cl ZINC000001943846 569059890 /nfs/dbraw/zinc/05/98/90/569059890.db2.gz CFUZVZSQJZEEAL-UHFFFAOYSA-N 0 0 403.059 4.551 50 0 HJAARN COc1cc(COc2ccc3c4c(c(=O)oc3c2C)CCCC4)cc(OC)c1OC ZINC000001156191 569060316 /nfs/dbraw/zinc/06/03/16/569060316.db2.gz MCQJSDMVDYSSSL-UHFFFAOYSA-N 0 0 410.466 4.585 50 0 biogenic HJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000035828536 569061660 /nfs/dbraw/zinc/06/16/60/569061660.db2.gz IGDNOVPTPQAEFM-NJDAHSKKSA-N 0 0 422.843 4.530 50 0 HJAARN C[C@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1 ZINC000006509832 569061988 /nfs/dbraw/zinc/06/19/88/569061988.db2.gz DGKIROTWNRGCDM-NSHDSACASA-N 0 0 402.210 4.724 50 0 HJAARN Cc1ccc(NC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3)C2)cc1C ZINC000064452432 569062943 /nfs/dbraw/zinc/06/29/43/569062943.db2.gz CPPIKRMRMXAAKV-IBGZPJMESA-N 0 0 402.498 4.741 50 0 HJAARN CCOc1ccc(NC(=O)c2c(C)sc3ncnc(N4CCC[C@@H](C)C4)c32)cc1 ZINC000064459706 569062964 /nfs/dbraw/zinc/06/29/64/569062964.db2.gz VIQKFYXGBFHTLK-CQSZACIVSA-N 0 0 410.543 4.887 50 0 HJAARN CCOc1ccccc1Nc1c(C(=O)N2CCSCC2)cnc2ccc(F)cc21 ZINC000064471697 569063481 /nfs/dbraw/zinc/06/34/81/569063481.db2.gz OYLKNOGXSIVLAU-UHFFFAOYSA-N 0 0 411.502 4.705 50 0 HJAARN CCc1ccccc1NC(=O)N1CCCN(c2nc3ccccc3n3cccc23)CC1 ZINC000064473215 569063689 /nfs/dbraw/zinc/06/36/89/569063689.db2.gz PRUUNZPTYPVIEJ-UHFFFAOYSA-N 0 0 413.525 4.794 50 0 HJAARN Cc1ccc(NC(=O)N2CCCN(c3nc4ccccc4n4cccc34)CC2)cc1F ZINC000064473220 569063762 /nfs/dbraw/zinc/06/37/62/569063762.db2.gz BXBPOOJVNQBLHT-UHFFFAOYSA-N 0 0 417.488 4.679 50 0 HJAARN COCCCn1c(C)cc(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c1C ZINC000006549789 569064916 /nfs/dbraw/zinc/06/49/16/569064916.db2.gz RRBHQBDSWLPOIL-UHFFFAOYSA-N 0 0 424.570 4.575 50 0 HJAARN CCOC(=O)C1CCN(c2nc(CCc3ccccc3)nc3sc(C)c(C)c32)CC1 ZINC000035892872 569065052 /nfs/dbraw/zinc/06/50/52/569065052.db2.gz ALYZQGLRLUNALC-UHFFFAOYSA-N 0 0 423.582 4.873 50 0 HJAARN CCOC(=O)C1CCN(c2nc(C(C)C)nc3sc4c(c32)CCCCC4)CC1 ZINC000035893000 569065078 /nfs/dbraw/zinc/06/50/78/569065078.db2.gz NNQFATDAIBXAPZ-UHFFFAOYSA-N 0 0 401.576 4.863 50 0 HJAARN O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc21)Nc1ccc(F)cc1F ZINC000006551803 569065235 /nfs/dbraw/zinc/06/52/35/569065235.db2.gz RUPFUANIXBVGES-UHFFFAOYSA-N 0 0 408.360 4.569 50 0 HJAARN CC[C@H]1Oc2ccc(NC(=O)C3CCCC3)cc2CN(Cc2cccc(OC)c2)C1=O ZINC000035909214 569065667 /nfs/dbraw/zinc/06/56/67/569065667.db2.gz YVSDTLUXHMOUBK-JOCHJYFZSA-N 0 0 422.525 4.524 50 0 HJAARN COc1cccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3cccc(F)c3)c2)c1 ZINC000035927243 569066574 /nfs/dbraw/zinc/06/65/74/569066574.db2.gz CBEZQCAEDBXOGD-QHCPKHFHSA-N 0 0 422.481 4.865 50 0 HJAARN CN(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3cccs3)c2)cc1 ZINC000035928491 569066622 /nfs/dbraw/zinc/06/66/22/569066622.db2.gz DZHZYQNZQZPMIT-JOCHJYFZSA-N 0 0 423.563 4.845 50 0 HJAARN CCC(=O)N(C)CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1Cl ZINC000035948280 569067520 /nfs/dbraw/zinc/06/75/20/569067520.db2.gz HXAZBOBJTJJCQO-LJQANCHMSA-N 0 0 418.324 4.540 50 0 HJAARN CCOC(=O)c1ccc(NC(=O)c2cc(N3CCCCC3)c3cc(C)ccc3n2)cc1 ZINC000064568319 569067525 /nfs/dbraw/zinc/06/75/25/569067525.db2.gz BPYXMIRLORHHMW-UHFFFAOYSA-N 0 0 417.509 4.963 50 0 HJAARN COc1ccc(Nc2ccccc2NC(=O)CCCn2c3ccccc3oc2=O)cc1 ZINC000006582123 569067951 /nfs/dbraw/zinc/06/79/51/569067951.db2.gz SFXVMXKAWZLONV-UHFFFAOYSA-N 0 0 417.465 4.766 50 0 HJAARN CC(=O)N1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2NC2CCCCC2)CC1 ZINC000006590644 569068456 /nfs/dbraw/zinc/06/84/56/569068456.db2.gz FGNQAKQSIUYTJO-UHFFFAOYSA-N 0 0 411.468 4.647 50 0 HJAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C(=O)NCC ZINC000035978444 569069758 /nfs/dbraw/zinc/06/97/58/569069758.db2.gz IQNHJKZEFGUYIR-UHFFFAOYSA-N 0 0 422.529 4.923 50 0 HJAARN COc1ccc(-c2c(C)oc3c(ccc4c3CN(Cc3ccccn3)CO4)c2=O)cc1 ZINC000054313361 569070734 /nfs/dbraw/zinc/07/07/34/569070734.db2.gz IATVXLDSWPSOAI-UHFFFAOYSA-N 0 0 414.461 4.524 50 0 biogenic HJAARN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc2ccccc2n1 ZINC000006606515 569071221 /nfs/dbraw/zinc/07/12/21/569071221.db2.gz LGHZYCFQJRWRDH-LJQANCHMSA-N 0 0 416.308 4.935 50 0 HJAARN CSc1ccc(CN(C)CC(=O)Nc2cc(-c3ccc(Cl)cc3)nn2C)cc1 ZINC000006606919 569071539 /nfs/dbraw/zinc/07/15/39/569071539.db2.gz OCVQCURVJFSVCE-UHFFFAOYSA-N 0 0 414.962 4.533 50 0 HJAARN O=C(CSc1nc2cc(Cl)ccc2s1)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000006608005 569071829 /nfs/dbraw/zinc/07/18/29/569071829.db2.gz NRVNBSPGFIZWDK-UHFFFAOYSA-N 0 0 414.939 4.760 50 0 HJAARN Cc1cc(C(=O)Cn2cccc(C(F)(F)F)c2=O)c(C)n1[C@@H](C)c1ccccc1 ZINC000027064178 569072394 /nfs/dbraw/zinc/07/23/94/569072394.db2.gz YWJFPSLIRNKPID-HNNXBMFYSA-N 0 0 402.416 4.778 50 0 HJAARN CCOc1cc(/C=C2/N=C(c3cccc4ccccc43)OC2=O)ccc1OC(=O)CC ZINC000002059262 569072484 /nfs/dbraw/zinc/07/24/84/569072484.db2.gz RGUSQDGAGGWQAB-XSFVSMFZSA-N 0 0 415.445 4.898 50 0 HJAARN C[C@H](OC(=O)c1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc(N(C)C)cc1 ZINC000006622850 569075030 /nfs/dbraw/zinc/07/50/30/569075030.db2.gz NSNNKSBLVRYDOH-KRWDZBQOSA-N 0 0 404.466 4.729 50 0 HJAARN Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)c1C ZINC000006623501 569075137 /nfs/dbraw/zinc/07/51/37/569075137.db2.gz QYQOHFUYVUQLCM-UHFFFAOYSA-N 0 0 416.449 4.635 50 0 HJAARN CC(=O)c1cccc(NC(=O)Cc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)c1 ZINC000006623869 569075388 /nfs/dbraw/zinc/07/53/88/569075388.db2.gz HLWYWRSGNNNHTN-UHFFFAOYSA-N 0 0 403.434 4.848 50 0 biogenic HJAARN COc1ccc(OC)c(-c2cc(CN(Cc3ccccc3)C(=O)CC(C)C)no2)c1 ZINC000036011862 569075739 /nfs/dbraw/zinc/07/57/39/569075739.db2.gz MJRSEQMYYRTTPD-UHFFFAOYSA-N 0 0 408.498 4.934 50 0 HJAARN O=C(C1CCCC1)N(Cc1cc(-c2ccc(F)cc2)on1)Cc1ccc2c(c1)OCO2 ZINC000036012111 569075761 /nfs/dbraw/zinc/07/57/61/569075761.db2.gz NONXYVPTMCBFGC-UHFFFAOYSA-N 0 0 422.456 4.928 50 0 HJAARN Cc1ccc(C)c(OCC(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)c1 ZINC000006626291 569075953 /nfs/dbraw/zinc/07/59/53/569075953.db2.gz KQYURRKINSHWKV-UHFFFAOYSA-N 0 0 411.889 4.577 50 0 HJAARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2cccc(F)c2)cc1 ZINC000064656773 569076888 /nfs/dbraw/zinc/07/68/88/569076888.db2.gz FDEASRUAEZGVBR-MRXNPFEDSA-N 0 0 401.484 4.503 50 0 HJAARN CC[C@H](C(=O)Nc1ccc(Br)cc1)n1c(C(=O)OC)cc2ccsc21 ZINC000064659263 569077826 /nfs/dbraw/zinc/07/78/26/569077826.db2.gz MAVJSBKLKDNUPF-CQSZACIVSA-N 0 0 421.316 4.842 50 0 HJAARN CC[C@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)NCc1ccc(C)o1 ZINC000064669017 569078664 /nfs/dbraw/zinc/07/86/64/569078664.db2.gz UZOZLEYAVORPMG-QHCPKHFHSA-N 0 0 401.466 4.672 50 0 HJAARN CCc1ccc(Cl)c(CC)c1NC(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000006646806 569079438 /nfs/dbraw/zinc/07/94/38/569079438.db2.gz QWNGGVIHAVMXPN-UHFFFAOYSA-N 0 0 400.327 4.774 50 0 HJAARN O=C(C[C@@H]1COc2ccc(Cl)cc2N1Cc1ccccc1)NCc1ccccc1 ZINC000064663706 569079698 /nfs/dbraw/zinc/07/96/98/569079698.db2.gz DKPUNDGSVSCKDT-OAQYLSRUSA-N 0 0 406.913 4.814 50 0 HJAARN Nc1c(-c2nc(-c3ccc(F)cc3)cs2)nnn1-c1cccc(C(F)(F)F)c1 ZINC000064664502 569079960 /nfs/dbraw/zinc/07/99/60/569079960.db2.gz NWWNHUGQVRQOIP-UHFFFAOYSA-N 0 0 405.380 4.798 50 0 HJAARN Nc1c(-c2nc(-c3ccc(F)cc3)cs2)nnn1-c1ccccc1Br ZINC000064664513 569079966 /nfs/dbraw/zinc/07/99/66/569079966.db2.gz ZHGYJVDGYVIFFS-UHFFFAOYSA-N 0 0 416.279 4.542 50 0 HJAARN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1C(F)(F)F)c1ccccc1 ZINC000006650169 569080516 /nfs/dbraw/zinc/08/05/16/569080516.db2.gz YJNIKVQLPKDGNW-HXUWFJFHSA-N 0 0 412.411 4.685 50 0 HJAARN O=C(CSc1nnc2c(Cl)cc(Cl)cn12)Nc1ccc2ccccc2c1 ZINC000006647906 569080785 /nfs/dbraw/zinc/08/07/85/569080785.db2.gz CECZTZVRGTXQMZ-UHFFFAOYSA-N 0 0 403.294 4.920 50 0 HJAARN CCc1nc(-c2ccc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc2)cs1 ZINC000064677411 569081574 /nfs/dbraw/zinc/08/15/74/569081574.db2.gz GZTNWYVINVUKHI-UHFFFAOYSA-N 0 0 411.958 4.988 50 0 HJAARN COc1ccccc1N1CCN(C(=O)c2ccc(-c3csc(C4CC4)n3)cc2)CC1 ZINC000064677557 569081611 /nfs/dbraw/zinc/08/16/11/569081611.db2.gz CYWVSRNEUOIRIR-UHFFFAOYSA-N 0 0 419.550 4.659 50 0 HJAARN Cn1c(CCc2ccc(NC(=O)c3ccc(Br)o3)cc2)nc2ccccc21 ZINC000064690745 569082512 /nfs/dbraw/zinc/08/25/12/569082512.db2.gz MUUWAOIWTIQTJG-UHFFFAOYSA-N 0 0 424.298 4.966 50 0 HJAARN CC(C)Cn1c2ccc(Cl)cc2nc(CCC(=O)Nc2cccc(Cl)c2)c1=O ZINC000006662195 569085439 /nfs/dbraw/zinc/08/54/39/569085439.db2.gz KGFJKSOUEFYZJL-UHFFFAOYSA-N 0 0 418.324 4.931 50 0 HJAARN CC(C)CN(Cc1cc(NC(=O)C(C)C)ccc1N(C)C)C(=O)Cc1cccs1 ZINC000006695995 569091679 /nfs/dbraw/zinc/09/16/79/569091679.db2.gz NLROUVBBSZFMNE-UHFFFAOYSA-N 0 0 415.603 4.636 50 0 HJAARN CCNC(=O)N(Cc1ccccc1)Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C ZINC000006696173 569091828 /nfs/dbraw/zinc/09/18/28/569091828.db2.gz VPDQUHHAILYTHE-UHFFFAOYSA-N 0 0 424.589 4.859 50 0 HJAARN O=C(c1ccco1)N(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000006696429 569092027 /nfs/dbraw/zinc/09/20/27/569092027.db2.gz FQWFMNBHXJPEKO-LJQANCHMSA-N 0 0 412.848 4.908 50 0 HJAARN COCCCN(Cc1csc(COc2cc(C)cc(C)c2)n1)C(=O)C1CCCC1 ZINC000036105372 569092467 /nfs/dbraw/zinc/09/24/67/569092467.db2.gz NKIQUUNGIHIPSO-UHFFFAOYSA-N 0 0 416.587 4.894 50 0 HJAARN CC[C@H](c1nc2ccccc2c(=O)[nH]1)N(CCc1ccccc1)C(=O)c1ccccc1 ZINC000006697010 569092490 /nfs/dbraw/zinc/09/24/90/569092490.db2.gz SKMRMUQUXJGAPT-HSZRJFAPSA-N 0 0 411.505 4.759 50 0 HJAARN CC(C)N(Cc1nccn1Cc1c(F)cccc1Cl)C(=O)c1ccccc1F ZINC000006696913 569092505 /nfs/dbraw/zinc/09/25/05/569092505.db2.gz SKNCRZHBGGSQSH-UHFFFAOYSA-N 0 0 403.860 4.914 50 0 HJAARN COc1ccccc1OCc1nc(CN(CC(C)C)C(=O)c2ccco2)cs1 ZINC000036105655 569092889 /nfs/dbraw/zinc/09/28/89/569092889.db2.gz JJNZPPUTCSNMPS-UHFFFAOYSA-N 0 0 400.500 4.622 50 0 HJAARN COc1ccccc1OCc1nc(CN(C(=O)c2ccccc2F)C2CC2)cs1 ZINC000036105820 569092977 /nfs/dbraw/zinc/09/29/77/569092977.db2.gz ZBUOEAPYOVPGDN-UHFFFAOYSA-N 0 0 412.486 4.675 50 0 HJAARN COc1cccc(C(=O)N(Cc2csc(COc3ccc(C)cc3)n2)C2CC2)c1 ZINC000036114725 569094050 /nfs/dbraw/zinc/09/40/50/569094050.db2.gz KNFWBLVSGURFPT-UHFFFAOYSA-N 0 0 408.523 4.844 50 0 HJAARN CCc1cccc2c([C@@H](CC(=O)N3C[C@@H](C)O[C@@H](C)C3)c3cccc(OC)c3)c[nH]c21 ZINC000006705645 569094824 /nfs/dbraw/zinc/09/48/24/569094824.db2.gz BYHBXSXTMDTHLZ-IXFSTUDKSA-N 0 0 420.553 4.897 50 0 HJAARN O=C(C[C@@H](c1c[nH]c2ccccc21)c1ccc(Cl)c(Cl)c1)N1CCOCC1 ZINC000006705420 569094992 /nfs/dbraw/zinc/09/49/92/569094992.db2.gz HGIFZXXCTBYTQR-MRXNPFEDSA-N 0 0 403.309 4.856 50 0 HJAARN CCOc1ccc(Nc2cc(-c3ccccc3)nc3nc(-c4cccnc4)nn32)cc1 ZINC000064791042 569095053 /nfs/dbraw/zinc/09/50/53/569095053.db2.gz XUUSZTLHBUXULD-UHFFFAOYSA-N 0 0 408.465 4.996 50 0 HJAARN CCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2ccc(OC)cc2)[C@H](C)CC)c1 ZINC000006713085 569097035 /nfs/dbraw/zinc/09/70/35/569097035.db2.gz CNIZAGITZKAUMJ-QGZVFWFLSA-N 0 0 411.546 4.551 50 0 HJAARN CCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)[C@@H](CC)c2ccccc2)C2CC2)c1 ZINC000006722167 569099418 /nfs/dbraw/zinc/09/94/18/569099418.db2.gz SYQDZYJKFQTKGE-QFIPXVFZSA-N 0 0 407.558 4.786 50 0 HJAARN CCNC(=O)Nc1ccc(N(C)C)c(CN(C(=O)[C@@H](CC)c2ccccc2)C2CC2)c1 ZINC000006722223 569099562 /nfs/dbraw/zinc/09/95/62/569099562.db2.gz KCRFWMAGAZSUPO-QFIPXVFZSA-N 0 0 422.573 4.579 50 0 HJAARN CC[C@H](C)N(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)C(=O)c1ccco1 ZINC000006722521 569099680 /nfs/dbraw/zinc/09/96/80/569099680.db2.gz PGKUEECAZLNGEL-KRWDZBQOSA-N 0 0 411.546 4.915 50 0 HJAARN CC(C)N(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)C(=O)c1ccco1 ZINC000006723205 569099975 /nfs/dbraw/zinc/09/99/75/569099975.db2.gz SJANQXRVDOHXHD-UHFFFAOYSA-N 0 0 423.488 4.788 50 0 HJAARN CC1(C)CN(C(=O)C2CCC2)[C@@]2(S1)c1ccccc1N(Cc1ccc(F)cc1)C2=O ZINC000036152830 569100261 /nfs/dbraw/zinc/10/02/61/569100261.db2.gz UYFCMOHIWUXOLK-XMMPIXPASA-N 0 0 424.541 4.679 50 0 HJAARN COc1ccc(CNC(=O)Cn2c(-c3cccs3)cc3ccccc32)c(OC)c1 ZINC000064816502 569100612 /nfs/dbraw/zinc/10/06/12/569100612.db2.gz AFECPMNUNICUKE-UHFFFAOYSA-N 0 0 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O=C(c1oc2ccccc2c1CSc1ncccn1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000071853804 569254653 /nfs/dbraw/zinc/25/46/53/569254653.db2.gz YWLUZIFXWUGTJY-KRWDZBQOSA-N 0 0 419.510 4.606 50 0 HJAARN O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1ccc(F)cc1Cl ZINC000010500157 569254663 /nfs/dbraw/zinc/25/46/63/569254663.db2.gz JERXGYJMOZLXGR-UHFFFAOYSA-N 0 0 417.893 4.692 50 0 HJAARN COc1ccc(NC(=O)Nc2c(C)nn(Cc3ccccc3Cl)c2C)cc1OC ZINC000013331498 569255113 /nfs/dbraw/zinc/25/51/13/569255113.db2.gz GNVSERCMQBESBD-UHFFFAOYSA-N 0 0 414.893 4.863 50 0 HJAARN COC(=O)c1cc(C)sc1NC(=O)Nc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000013331402 569255221 /nfs/dbraw/zinc/25/52/21/569255221.db2.gz NKINWYVTNQEQHG-UHFFFAOYSA-N 0 0 412.515 4.657 50 0 HJAARN CCc1cccc(C)c1NC(=O)[C@@H](Sc1ncnc2[nH]cnc21)c1ccccc1 ZINC000013572710 569255999 /nfs/dbraw/zinc/25/59/99/569255999.db2.gz KHQNWRBFWWDWBH-IBGZPJMESA-N 0 0 403.511 4.696 50 0 HJAARN O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)Nc1ccccc1Br ZINC000013745689 569257592 /nfs/dbraw/zinc/25/75/92/569257592.db2.gz QWTXIUZFNXUOLN-UHFFFAOYSA-N 0 0 402.292 4.719 50 0 HJAARN O=C(Nc1ccccc1OCC(F)(F)F)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000014553964 569260445 /nfs/dbraw/zinc/26/04/45/569260445.db2.gz OBOKHBDPEHWFQY-UHFFFAOYSA-N 0 0 412.795 4.660 50 0 HJAARN COc1ccc(-c2nc(C(=O)NCc3ccccc3)nn2-c2ccc(Cl)cc2)cc1 ZINC000014609906 569260762 /nfs/dbraw/zinc/26/07/62/569260762.db2.gz PBPNUJPUBULELF-UHFFFAOYSA-N 0 0 418.884 4.526 50 0 HJAARN O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)N1CCC[C@@H]1c1cccs1 ZINC000014629042 569260895 /nfs/dbraw/zinc/26/08/95/569260895.db2.gz ZEYKCARDDCYGPE-LJQANCHMSA-N 0 0 418.518 4.641 50 0 HJAARN COc1cccc([C@H]2CC(c3ccc(C)cc3)=NN2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000089632093 569261506 /nfs/dbraw/zinc/26/15/06/569261506.db2.gz IEKNDCLJILSAOZ-XMMPIXPASA-N 0 0 420.534 4.852 50 0 HJAARN O=C(CCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000016739629 569262055 /nfs/dbraw/zinc/26/20/55/569262055.db2.gz GMPADOLCRHSJOE-DFBITEFZSA-N 0 0 412.898 4.961 50 0 HJAARN COc1cccc2cc(C(=O)Nc3cc(C)nn3-c3nc4ccccc4s3)oc21 ZINC000016851042 569266013 /nfs/dbraw/zinc/26/60/13/569266013.db2.gz NEGUVOARSQFGAZ-UHFFFAOYSA-N 0 0 404.451 4.798 50 0 HJAARN COc1cc(OC)c(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1OC ZINC000016963625 569269139 /nfs/dbraw/zinc/26/91/39/569269139.db2.gz FFQPSNKOUNJBJF-JOCHJYFZSA-N 0 0 409.507 4.562 50 0 HJAARN CC[C@@H](NC(=O)c1cnc(-c2ccccc2)s1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000089941945 569269354 /nfs/dbraw/zinc/26/93/54/569269354.db2.gz WJKZLWVLLLYYAT-CTNGQTDRSA-N 0 0 417.538 4.508 50 0 HJAARN COc1ccc(-c2cn3c(C)c(C(=O)Nc4ccc(OC)c(OC)c4)sc3n2)cc1 ZINC000016992508 569270599 /nfs/dbraw/zinc/27/05/99/569270599.db2.gz LJQHOPWYWWXJAE-UHFFFAOYSA-N 0 0 423.494 4.649 50 0 HJAARN COc1ccc(-c2cn3c(C)c(C(=O)Nc4ccc(NC(C)=O)cc4)sc3n2)cc1 ZINC000016992519 569270627 /nfs/dbraw/zinc/27/06/27/569270627.db2.gz ZDUMYHWBSZGGHW-UHFFFAOYSA-N 0 0 420.494 4.591 50 0 HJAARN Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)c1cccc(Br)c1 ZINC000016992103 569270760 /nfs/dbraw/zinc/27/07/60/569270760.db2.gz AGZKBHARDPJPQO-UHFFFAOYSA-N 0 0 419.319 4.993 50 0 HJAARN Cc1cc(NC(=O)[C@H](C)Oc2ccccc2)n(-c2nc(-c3cccs3)cs2)n1 ZINC000017012012 569271349 /nfs/dbraw/zinc/27/13/49/569271349.db2.gz PSYXUSOWGYGRJR-AWEZNQCLSA-N 0 0 410.524 4.772 50 0 HJAARN O=C(NCc1c(-c2ccc(Cl)cc2)nc2n1CCS2)c1ccc(F)c(F)c1 ZINC000017156461 569275935 /nfs/dbraw/zinc/27/59/35/569275935.db2.gz LOYFNHFVUKEFQX-UHFFFAOYSA-N 0 0 405.857 4.517 50 0 HJAARN CC[C@@H]1CCCCN1C(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000001056768 569277096 /nfs/dbraw/zinc/27/70/96/569277096.db2.gz ACQPWUWZDOSVGP-OAHLLOKOSA-N 0 0 402.420 4.820 50 0 HJAARN Cc1ccc(C(=O)Nc2nc3n(n2)[C@@H](c2ccccc2)C[C@H](c2ccccc2)N3)cc1 ZINC000001078001 569277200 /nfs/dbraw/zinc/27/72/00/569277200.db2.gz MVZSXGUZYVRFII-FGZHOGPDSA-N 0 0 409.493 4.985 50 0 HJAARN COc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@@H](c1ccc(C)cc1)N1NC=NC1=N2 ZINC000000638032 569281780 /nfs/dbraw/zinc/28/17/80/569281780.db2.gz KIYDXTJXEMXNJU-JWQCQUIFSA-N 0 0 422.488 4.808 50 0 HJAARN CN(C)c1ccc(NC(=O)CSc2nnc(SCc3ccccc3)s2)cc1 ZINC000001474802 569282372 /nfs/dbraw/zinc/28/23/72/569282372.db2.gz JEISZXDDDPBAFU-UHFFFAOYSA-N 0 0 416.597 4.627 50 0 HJAARN CCc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SCCC(=O)N32)cc1 ZINC000003640246 569282886 /nfs/dbraw/zinc/28/28/86/569282886.db2.gz PGZVXQHKGMNCCU-JOCHJYFZSA-N 0 0 420.534 4.643 50 0 HJAARN O=C(NCc1nc(-c2cccs2)no1)c1ccc(C2SCCCS2)cc1 ZINC000065778414 569283783 /nfs/dbraw/zinc/28/37/83/569283783.db2.gz CLRDSWBJLNXBOU-UHFFFAOYSA-N 0 0 403.554 4.597 50 0 HJAARN O=C(Nc1cccc(-c2csc(Nc3ccc(F)cc3F)n2)c1)c1cnccn1 ZINC000208007287 569286896 /nfs/dbraw/zinc/28/68/96/569286896.db2.gz FVSWARHYIJYOBY-UHFFFAOYSA-N 0 0 409.421 4.874 50 0 HJAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000007597880 569288065 /nfs/dbraw/zinc/28/80/65/569288065.db2.gz QFXIMSFBXAJXMR-UHFFFAOYSA-N 0 0 413.433 4.529 50 0 HJAARN Cc1ccc(N2CCCN(C(=O)c3ccc(COc4ccc(F)cc4)o3)CC2)cc1 ZINC000170643282 569288231 /nfs/dbraw/zinc/28/82/31/569288231.db2.gz FOOLFRNJDYMHKN-UHFFFAOYSA-N 0 0 408.473 4.659 50 0 HJAARN COc1ccc(CN2CCN(c3cc(Oc4cc(C)ccc4Cl)ncn3)CC2)cc1 ZINC000037377696 569289319 /nfs/dbraw/zinc/28/93/19/569289319.db2.gz NQJJDDDGJVGTSE-UHFFFAOYSA-N 0 0 424.932 4.562 50 0 HJAARN CCCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@@H](CC)NC(=O)OC(C)(C)C)c12 ZINC000002146876 569289797 /nfs/dbraw/zinc/28/97/97/569289797.db2.gz KQSZLKPDJVVDGL-MRXNPFEDSA-N 0 0 417.502 4.653 50 0 biogenic HJAARN CCCc1cc(=O)oc2c(C)c(OC(=O)[C@H](CCC)NC(=O)OC(C)(C)C)ccc12 ZINC000002149728 569289955 /nfs/dbraw/zinc/28/99/55/569289955.db2.gz XADGCNMPDAJJQZ-KRWDZBQOSA-N 0 0 417.502 4.653 50 0 biogenic HJAARN CC(=O)c1cccc(NC(=O)C(=Cc2cccs2)NC(=O)c2ccc(C)c(C)c2)c1 ZINC000002152564 569290114 /nfs/dbraw/zinc/29/01/14/569290114.db2.gz JWUQVTQUDISKLY-HYARGMPZSA-N 0 0 418.518 4.977 50 0 HJAARN CC[C@@H](C)[C@@H](NC(=O)C1(c2ccc(OC)cc2)CCOCC1)c1nc2ccccc2[nH]1 ZINC000252536285 569292861 /nfs/dbraw/zinc/29/28/61/569292861.db2.gz IBNFVIAQJZNQJP-VGOFRKELSA-N 0 0 421.541 4.523 50 0 HJAARN O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)[C@@H]1CSCCS1 ZINC000170652156 569295387 /nfs/dbraw/zinc/29/53/87/569295387.db2.gz KQGIMCUXJVEPEG-ZDUSSCGKSA-N 0 0 404.504 4.540 50 0 HJAARN C[C@@H](NCc1ccc(Oc2cnccn2)cc1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000170655322 569295432 /nfs/dbraw/zinc/29/54/32/569295432.db2.gz JWQIIAWXYGNEJH-CQSZACIVSA-N 0 0 407.861 4.823 50 0 HJAARN O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)[C@H]1CSCCS1 ZINC000170652158 569295439 /nfs/dbraw/zinc/29/54/39/569295439.db2.gz KQGIMCUXJVEPEG-CYBMUJFWSA-N 0 0 404.504 4.540 50 0 HJAARN Cc1c(-c2nc(-c3ccccc3Cl)no2)nnn1-c1cccc(C(F)(F)F)c1 ZINC000007615907 569295787 /nfs/dbraw/zinc/29/57/87/569295787.db2.gz ZHCBVFJNDKNZIS-UHFFFAOYSA-N 0 0 405.767 4.965 50 0 HJAARN CCOc1ccc(OCCn2c(=O)c3ccccc3nc2-c2ccc(OC)cc2)cc1 ZINC000002203748 569296096 /nfs/dbraw/zinc/29/60/96/569296096.db2.gz FZNKEMMOLPGRCM-UHFFFAOYSA-N 0 0 416.477 4.550 50 0 HJAARN CCn1c(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)nnc1C1CC1 ZINC000007618322 569296149 /nfs/dbraw/zinc/29/61/49/569296149.db2.gz FTFYSJCPZUVFKW-UHFFFAOYSA-N 0 0 400.573 4.679 50 0 HJAARN CCc1nn2c(nc(C)cc2NCCc2ccc(OC)c(OC)c2)c1-c1ccccc1 ZINC000007636234 569297815 /nfs/dbraw/zinc/29/78/15/569297815.db2.gz BWTLVTYHAQFLLX-UHFFFAOYSA-N 0 0 416.525 4.939 50 0 HJAARN CCOC(=O)/C=C(/C)N1N=C2c3ccc(OC)cc3CC[C@@H]2[C@H]1c1ccccc1F ZINC000252608296 569297845 /nfs/dbraw/zinc/29/78/45/569297845.db2.gz HIHNDVNZYSRQPU-FABBYCRKSA-N 0 0 408.473 4.625 50 0 HJAARN O=C(CN1CC=C(c2ccccc2)CC1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007647390 569298384 /nfs/dbraw/zinc/29/83/84/569298384.db2.gz SMTQTPHCXLFJLP-NRFANRHFSA-N 0 0 417.578 4.792 50 0 HJAARN CC(C)(C)c1csc(N(CC(=O)NC[C@H]2CCCO2)c2ccc(Cl)cc2)n1 ZINC000037438489 569299470 /nfs/dbraw/zinc/29/94/70/569299470.db2.gz IPZPIUJXZKOJEV-MRXNPFEDSA-N 0 0 407.967 4.527 50 0 HJAARN O=C(c1ccccc1F)N(Cc1cccc(F)c1)C[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000037440816 569299601 /nfs/dbraw/zinc/29/96/01/569299601.db2.gz XBYGHDPSUYXVOV-FQEVSTJZSA-N 0 0 424.422 4.940 50 0 HJAARN O=C(c1ccccc1F)N(Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037440766 569299608 /nfs/dbraw/zinc/29/96/08/569299608.db2.gz IVYSYXOUSGHIHI-FQEVSTJZSA-N 0 0 424.422 4.940 50 0 HJAARN COc1ccc(-c2noc(CN(C(=O)Cc3ccccc3)C3CCCCC3)n2)cc1 ZINC000007720742 569302299 /nfs/dbraw/zinc/30/22/99/569302299.db2.gz JAVSUGMCFRIEDN-UHFFFAOYSA-N 0 0 405.498 4.649 50 0 HJAARN Cc1c(Cl)cccc1N1CCN(C(=O)c2ccc(Cl)cc2Cl)[C@@H](C)C1=O ZINC000037520010 569302792 /nfs/dbraw/zinc/30/27/92/569302792.db2.gz RUUVECHBZLKWID-LBPRGKRZSA-N 0 0 411.716 4.833 50 0 HJAARN Cc1cc(Cl)ccc1N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@@H](C)C1=O ZINC000037521128 569303047 /nfs/dbraw/zinc/30/30/47/569303047.db2.gz PWYZVPJKWFWIMG-ZDUSSCGKSA-N 0 0 410.823 4.545 50 0 HJAARN COc1cccc(Cn2c(C(=O)NCCc3ccccc3OC)cc3sccc32)c1 ZINC000037525003 569304012 /nfs/dbraw/zinc/30/40/12/569304012.db2.gz GCYZRXYBYJHKCY-UHFFFAOYSA-N 0 0 420.534 4.741 50 0 HJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3sc(C)cc3n2Cc2ccccc2C)C1 ZINC000037526225 569304097 /nfs/dbraw/zinc/30/40/97/569304097.db2.gz GFRQZXNKWQXQFO-LJQANCHMSA-N 0 0 424.566 4.783 50 0 HJAARN CC(C)CNC(=O)c1cc2sc(Br)cc2n1CCOc1ccccc1 ZINC000037542633 569305202 /nfs/dbraw/zinc/30/52/02/569305202.db2.gz NENZIZYZKCKPMF-UHFFFAOYSA-N 0 0 421.360 4.930 50 0 HJAARN COc1ccccc1Cn1c(C(=O)NC(C)C)cc2sc(Br)cc21 ZINC000037542659 569305293 /nfs/dbraw/zinc/30/52/93/569305293.db2.gz WCVORHCTONHLSW-UHFFFAOYSA-N 0 0 407.333 4.660 50 0 HJAARN CCCNC(=O)c1cc2scc(Br)c2n1Cc1ccc(F)c(F)c1 ZINC000037543723 569305348 /nfs/dbraw/zinc/30/53/48/569305348.db2.gz BUJSPRUJRKCYOJ-UHFFFAOYSA-N 0 0 413.287 4.932 50 0 HJAARN COc1cccc(CN2CCCN(c3ccc(NC(=O)c4cccs4)cc3)C2=O)c1 ZINC000037543582 569305371 /nfs/dbraw/zinc/30/53/71/569305371.db2.gz ALUMZQUGKXSQIT-UHFFFAOYSA-N 0 0 421.522 4.841 50 0 HJAARN O=C(Nc1cccc(N2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1)C1CC1 ZINC000037544475 569305465 /nfs/dbraw/zinc/30/54/65/569305465.db2.gz ZJNXIHUXKDRZGH-UHFFFAOYSA-N 0 0 417.431 4.886 50 0 HJAARN COc1ccc(OC)c(CNc2ccc(CC(=O)N(C)Cc3ccccc3)cc2)c1 ZINC000037554877 569306259 /nfs/dbraw/zinc/30/62/59/569306259.db2.gz VQBFURAHRBCLRI-UHFFFAOYSA-N 0 0 404.510 4.517 50 0 HJAARN Cc1ccccc1C(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)NC2CC2)cc1 ZINC000037556416 569306398 /nfs/dbraw/zinc/30/63/98/569306398.db2.gz HZCLKTXXVFIMIJ-UHFFFAOYSA-N 0 0 416.496 4.802 50 0 HJAARN C[C@H](NC(=O)[C@@H]1CCN(c2ccc(Oc3ccccc3)cc2)C1=O)c1ccccc1 ZINC000037571846 569307436 /nfs/dbraw/zinc/30/74/36/569307436.db2.gz FKFJBKKVFOFVCA-MBSDFSHPSA-N 0 0 400.478 4.709 50 0 HJAARN Cc1cccc(-c2nnc(SCC(=O)c3ccc(Br)s3)n2C)c1 ZINC000007778382 569308936 /nfs/dbraw/zinc/30/89/36/569308936.db2.gz UTPZZKLZRBWIOE-UHFFFAOYSA-N 0 0 408.346 4.590 50 0 HJAARN Cc1ccc(CN(C(=O)c2ccccc2C)c2cccc(CC(=O)NC3CC3)c2)cc1 ZINC000037600764 569309064 /nfs/dbraw/zinc/30/90/64/569309064.db2.gz CIQUJWCMIXZKDQ-UHFFFAOYSA-N 0 0 412.533 4.972 50 0 HJAARN COc1ccc2c(CC(=O)N(Cc3ccc4c(c3)OCO4)C3CCCC3)coc2c1 ZINC000007779220 569309101 /nfs/dbraw/zinc/30/91/01/569309101.db2.gz GBLCPIYEIVUCKC-UHFFFAOYSA-N 0 0 407.466 4.684 50 0 HJAARN CC(C)CNC(=O)Cc1cccc(N(Cc2ccc(F)cc2)C(=O)NC(C)(C)C)c1 ZINC000037600572 569309176 /nfs/dbraw/zinc/30/91/76/569309176.db2.gz JOOMWIDOFVRUQM-UHFFFAOYSA-N 0 0 413.537 4.655 50 0 HJAARN CCNC(=O)Cc1cccc(N(Cc2ccc(C)cc2)C(=O)c2ccccc2C)c1 ZINC000037601161 569309199 /nfs/dbraw/zinc/30/91/99/569309199.db2.gz ROMJTGMQMZQWCJ-UHFFFAOYSA-N 0 0 400.522 4.829 50 0 HJAARN CCN(CC)C(=S)S[C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000007779584 569309345 /nfs/dbraw/zinc/30/93/45/569309345.db2.gz BKYGAGVHBGCQJN-JTQLQIEISA-N 0 0 415.556 4.775 50 0 HJAARN COCCN(CCOC)c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c21 ZINC000007780605 569309637 /nfs/dbraw/zinc/30/96/37/569309637.db2.gz MRBMFGRTAKSWNP-UHFFFAOYSA-N 0 0 420.538 4.520 50 0 HJAARN C[C@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)c1ccccc1 ZINC000007789771 569310656 /nfs/dbraw/zinc/31/06/56/569310656.db2.gz MLNKKEJAAFTILR-HNNXBMFYSA-N 0 0 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50 0 HJAARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1C ZINC000002327017 557337479 /nfs/dbraw/zinc/33/74/79/557337479.db2.gz UXPMHMYZQOGJOB-UHFFFAOYSA-N 0 0 400.935 4.737 50 0 HJAARN O=C(Nc1nnc(Cc2cccc(Br)c2)s1)Nc1ccccc1F ZINC000002357206 557339867 /nfs/dbraw/zinc/33/98/67/557339867.db2.gz ZFKKRDLPRNLYTM-UHFFFAOYSA-N 0 0 407.268 4.675 50 0 HJAARN Nn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1C1CCCCC1 ZINC000002394466 557344212 /nfs/dbraw/zinc/34/42/12/557344212.db2.gz NBDSHOCEWJIHPC-UHFFFAOYSA-N 0 0 423.542 4.563 50 0 HJAARN CCN(CC)C(=S)SCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000002403376 557344899 /nfs/dbraw/zinc/34/48/99/557344899.db2.gz MMAKRAPHVPXFDE-UHFFFAOYSA-N 0 0 420.987 4.869 50 0 HJAARN CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(C)cc2)s1 ZINC000002410539 557345546 /nfs/dbraw/zinc/34/55/46/557345546.db2.gz GFPOTEWQWSWULG-LJQANCHMSA-N 0 0 417.490 4.574 50 0 HJAARN CC[C@H](C(=O)Nc1ncc2c(n1)C[C@H](c1ccc(OC)cc1)CC2=O)c1ccccc1 ZINC000002421723 557346478 /nfs/dbraw/zinc/34/64/78/557346478.db2.gz WTEAXSHWWMTPMI-ICSRJNTNSA-N 0 0 415.493 4.530 50 0 HJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(Cl)c1)N(c1nccs1)C3=O ZINC000002432421 557346995 /nfs/dbraw/zinc/34/69/95/557346995.db2.gz HXIINYULMQZBKF-QGZVFWFLSA-N 0 0 408.866 4.961 50 0 HJAARN COc1ccc(-c2nnc(SCC(=O)c3ccccc3)n2-c2ccccc2)cc1 ZINC000002444928 557348360 /nfs/dbraw/zinc/34/83/60/557348360.db2.gz VMHJSOOOBOTUMJ-UHFFFAOYSA-N 0 0 401.491 4.918 50 0 HJAARN OCCNc1ncnc2c1c(-c1ccccc1)c(-c1ccccc1)n2Cc1ccco1 ZINC000002479214 557351409 /nfs/dbraw/zinc/35/14/09/557351409.db2.gz HJUQKIQEFGKYJC-UHFFFAOYSA-N 0 0 410.477 4.811 50 0 HJAARN O=C(Nc1cc(F)ccc1F)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000002485418 557351675 /nfs/dbraw/zinc/35/16/75/557351675.db2.gz MGNPDSQMZQAAOT-UHFFFAOYSA-N 0 0 400.335 4.864 50 0 HJAARN CCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2cnc(-c3ccccc3OC)cc12 ZINC000002529459 557354688 /nfs/dbraw/zinc/35/46/88/557354688.db2.gz NAJBRSYJDUPZTP-UHFFFAOYSA-N 0 0 418.424 4.557 50 0 HJAARN O=C(N[C@H](CCO)c1c(F)cccc1F)OCC1c2ccccc2-c2ccccc21 ZINC000002535246 557355246 /nfs/dbraw/zinc/35/52/46/557355246.db2.gz GBSXJSANIGDKGW-JOCHJYFZSA-N 0 0 409.432 4.927 50 0 HJAARN Cn1c(COc2cccc3ccccc32)c(Br)c(=O)n1-c1ccccc1 ZINC000002539552 557355302 /nfs/dbraw/zinc/35/53/02/557355302.db2.gz XITOGZLCOSUSCM-UHFFFAOYSA-N 0 0 409.283 4.671 50 0 HJAARN COc1ccc(-n2nc(C)c(CCC(=O)NCC(C)C)c2Oc2ccccc2)cc1 ZINC000034672281 557363332 /nfs/dbraw/zinc/36/33/32/557363332.db2.gz LLVRSZNCBKWUAB-UHFFFAOYSA-N 0 0 407.514 4.686 50 0 HJAARN COC(=O)C1CCN(S(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1 ZINC000002727869 557371106 /nfs/dbraw/zinc/37/11/06/557371106.db2.gz JPLLRBYICACDHX-UHFFFAOYSA-N 0 0 409.592 4.631 50 0 HJAARN CC(C)(C)c1ccc(/C=C/C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 ZINC000002749142 557378815 /nfs/dbraw/zinc/37/88/15/557378815.db2.gz AAOKWZDCTZHZNM-KPKJPENVSA-N 0 0 414.552 4.649 50 0 HJAARN COC(=O)c1c2c(sc1NC(=O)C1c3ccccc3Oc3ccccc31)CCC2 ZINC000002754112 557379627 /nfs/dbraw/zinc/37/96/27/557379627.db2.gz FNLCRCWKDLUVLC-UHFFFAOYSA-N 0 0 405.475 4.900 50 0 HJAARN CCCNC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2cccc(F)c2)cc1 ZINC000034679986 557381261 /nfs/dbraw/zinc/38/12/61/557381261.db2.gz GFKCNBLRYJNFHP-UHFFFAOYSA-N 0 0 422.475 4.881 50 0 HJAARN O=C(NCc1ccncc1)c1csc(-c2ccc(OCc3ccccc3)cc2)n1 ZINC000034711724 557391181 /nfs/dbraw/zinc/39/11/81/557391181.db2.gz HCLJYUMRFYVDJL-UHFFFAOYSA-N 0 0 401.491 4.714 50 0 HJAARN COc1ccc(-c2nc(C(=O)NCc3cccc(C(F)(F)F)c3)cs2)c(F)c1 ZINC000034713182 557392608 /nfs/dbraw/zinc/39/26/08/557392608.db2.gz XXSQCWCAGXADPD-UHFFFAOYSA-N 0 0 410.392 4.907 50 0 HJAARN Cc1nc(NC(=O)Nc2sc(=S)n(C)c2C)sc1C(=O)Nc1ccccc1 ZINC000002816102 557395223 /nfs/dbraw/zinc/39/52/23/557395223.db2.gz RQCKGCLJIPXJMK-UHFFFAOYSA-N 0 0 419.557 4.786 50 0 HJAARN CCCC[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)N1C(=O)c2ccccc2C1=O ZINC000002817824 557395530 /nfs/dbraw/zinc/39/55/30/557395530.db2.gz LMMRHSYCDIEXEV-KRWDZBQOSA-N 0 0 405.281 4.787 50 0 HJAARN CCOc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2ccncc2)cc1 ZINC000002837612 557399508 /nfs/dbraw/zinc/39/95/08/557399508.db2.gz FVAIJJXZVJAEHI-UHFFFAOYSA-N 0 0 418.522 4.899 50 0 HJAARN Cc1cc(Br)cc(C)c1OCC(=O)Nc1nnc(C2CCCCC2)s1 ZINC000002840423 557400539 /nfs/dbraw/zinc/40/05/39/557400539.db2.gz ZCEPNMOSKLUYCW-UHFFFAOYSA-N 0 0 424.364 4.983 50 0 HJAARN Cc1ccc(CN2c3ccc(Cl)cc3[C@](O)(c3c[nH]c4ccccc43)C2=O)cc1 ZINC000002841696 557401470 /nfs/dbraw/zinc/40/14/70/557401470.db2.gz HEZHRKTUWLDQLK-DEOSSOPVSA-N 0 0 402.881 4.912 50 0 HJAARN COc1ccc(-c2noc([C@@H](C)Oc3ccc(Br)cc3)n2)cc1OC ZINC000002850333 557404077 /nfs/dbraw/zinc/40/40/77/557404077.db2.gz SSFHXSBGEKVEAB-LLVKDONJSA-N 0 0 405.248 4.656 50 0 HJAARN CCCOc1ccc(/C=C2\N=C(c3ccccc3Br)OC2=O)cc1OC ZINC000002850028 557404118 /nfs/dbraw/zinc/40/41/18/557404118.db2.gz CKIBINUJQPXCRN-WJDWOHSUSA-N 0 0 416.271 4.591 50 0 HJAARN CN(c1ccccc1C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000002851090 557404685 /nfs/dbraw/zinc/40/46/85/557404685.db2.gz BNKWACOZRGETEK-UHFFFAOYSA-N 0 0 418.877 4.557 50 0 HJAARN CCc1cc(Br)ccc1NC(=S)NCCc1ccc(OC)c(OC)c1 ZINC000002852455 557405518 /nfs/dbraw/zinc/40/55/18/557405518.db2.gz CDQLLCHHYHBEDQ-UHFFFAOYSA-N 0 0 423.376 4.558 50 0 HJAARN O=C(COc1ccccc1)n1nc(-c2ccc(Cl)cc2)nc1NCc1ccco1 ZINC000002857199 557407897 /nfs/dbraw/zinc/40/78/97/557407897.db2.gz FJOYWRZRJVYOJQ-UHFFFAOYSA-N 0 0 408.845 4.523 50 0 HJAARN CCCc1ccc(-c2cc(C(=O)N3CCC4(CC3)OCCO4)c3ccccc3n2)cc1 ZINC000002867783 557413329 /nfs/dbraw/zinc/41/33/29/557413329.db2.gz QXTHXVDDGOIMFT-UHFFFAOYSA-N 0 0 416.521 4.833 50 0 HJAARN Cc1ccccc1NC(=O)Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n1C ZINC000002871149 557414961 /nfs/dbraw/zinc/41/49/61/557414961.db2.gz VGCNAOSHSWZWOT-UHFFFAOYSA-N 0 0 421.353 4.904 50 0 HJAARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)c1 ZINC000002884215 557420965 /nfs/dbraw/zinc/42/09/65/557420965.db2.gz WIECOVXMCUVCQR-UHFFFAOYSA-N 0 0 418.774 4.896 50 0 HJAARN CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000002884298 557421140 /nfs/dbraw/zinc/42/11/40/557421140.db2.gz ZZJSTQKREMAJAV-UHFFFAOYSA-N 0 0 413.905 4.985 50 0 HJAARN OCCSc1nnc(-c2ccc(OCc3ccccc3)cc2)n1-c1ccccc1 ZINC000002884430 557421180 /nfs/dbraw/zinc/42/11/80/557421180.db2.gz FPAPWKMIXUQJNX-UHFFFAOYSA-N 0 0 403.507 4.598 50 0 HJAARN COC(=O)c1ccc(Cl)c(NC(=O)CSCc2c(F)cccc2Cl)c1 ZINC000002890751 557423490 /nfs/dbraw/zinc/42/34/90/557423490.db2.gz SXXWHEXYEZSKIA-UHFFFAOYSA-N 0 0 402.274 4.791 50 0 HJAARN CCCOc1ccc(-c2nc(C(=O)NCCc3ccccc3OC)cs2)c(F)c1 ZINC000034723114 557425434 /nfs/dbraw/zinc/42/54/34/557425434.db2.gz YBFUCYIZJRTYJA-UHFFFAOYSA-N 0 0 414.502 4.719 50 0 HJAARN CCCSc1nnc2c(n1)O[C@H](c1cc(OC)ccc1OC)Nc1ccccc1-2 ZINC000002912872 557426199 /nfs/dbraw/zinc/42/61/99/557426199.db2.gz JTMBASMTPWSICL-LJQANCHMSA-N 0 0 410.499 4.561 50 0 HJAARN O=C1c2ccc(Br)cc2C(=O)N1CNc1ccc(Oc2ccccc2)cc1 ZINC000002923794 557427517 /nfs/dbraw/zinc/42/75/17/557427517.db2.gz YNQGMOKEPYEVRP-UHFFFAOYSA-N 0 0 423.266 4.907 50 0 HJAARN CCCOc1cccc(C(=O)Nc2cc3nn(-c4ccc(OC)cc4)nc3cc2C)c1 ZINC000002959382 557431069 /nfs/dbraw/zinc/43/10/69/557431069.db2.gz GXSHCRHLBZKKRI-UHFFFAOYSA-N 0 0 416.481 4.779 50 0 HJAARN O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccccc1 ZINC000002981982 557435555 /nfs/dbraw/zinc/43/55/55/557435555.db2.gz CYQUCSGIGZQROL-UHFFFAOYSA-N 0 0 409.898 4.719 50 0 HJAARN CCOc1cccc(OCCOCCOc2c(C)cc(C)cc2Br)c1 ZINC000002985542 557436621 /nfs/dbraw/zinc/43/66/21/557436621.db2.gz SZVJYUJNCGVPOH-UHFFFAOYSA-N 0 0 409.320 4.939 50 0 HJAARN CCOc1ccccc1OCCCCOc1ccc(I)cc1 ZINC000002984844 557436625 /nfs/dbraw/zinc/43/66/25/557436625.db2.gz UKDBDMXMAOOQLW-UHFFFAOYSA-N 0 0 412.267 4.928 50 0 HJAARN O=C(/C=C/c1ccc2c(c1)OCO2)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000002986074 557436851 /nfs/dbraw/zinc/43/68/51/557436851.db2.gz KRQHKJOCFLHGQD-ZZXKWVIFSA-N 0 0 410.322 4.785 50 0 HJAARN COc1ccc(C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1OC ZINC000002986390 557436864 /nfs/dbraw/zinc/43/68/64/557436864.db2.gz DUUGPBCJMMDRBX-UHFFFAOYSA-N 0 0 400.327 4.674 50 0 HJAARN COc1ccc(N2CCCN(Cc3ccccc3)C2=O)c(NC(=O)c2cccs2)c1 ZINC000034739690 557451234 /nfs/dbraw/zinc/45/12/34/557451234.db2.gz YSYBLKRZXQTNIA-UHFFFAOYSA-N 0 0 421.522 4.841 50 0 HJAARN O=C(CSCC(=O)Nc1ccc2ccccc2c1)NCCSCc1ccccc1 ZINC000003163481 557452005 /nfs/dbraw/zinc/45/20/05/557452005.db2.gz KJRLGKUVUWWKQT-UHFFFAOYSA-N 0 0 424.591 4.561 50 0 HJAARN COc1ccc2c(c1)Oc1ccccc1N=C2N1CCN(C(=O)C2CCCCC2)CC1 ZINC000034812907 557464974 /nfs/dbraw/zinc/46/49/74/557464974.db2.gz WYYKBFGEQQCKSQ-UHFFFAOYSA-N 0 0 419.525 4.604 50 0 HJAARN O=C(NCc1ccncc1)c1cc(-c2ccccc2F)nc2cc(-c3ccccc3)nn21 ZINC000034833956 557467553 /nfs/dbraw/zinc/46/75/53/557467553.db2.gz UQNHNDCCQJSRSH-UHFFFAOYSA-N 0 0 423.451 4.527 50 0 HJAARN CC[C@@H](C)NC(=O)c1cc(-c2cccc(OC)c2)nc2cc(-c3ccccc3)nn21 ZINC000034834008 557467608 /nfs/dbraw/zinc/46/76/08/557467608.db2.gz DIOZKJVNKXZCEV-MRXNPFEDSA-N 0 0 400.482 4.600 50 0 HJAARN CCOC(=O)c1c2c(sc1NC(=O)/C=C\c1cnn(CC)c1C)C[C@H](CC)CC2 ZINC000034834400 557467637 /nfs/dbraw/zinc/46/76/37/557467637.db2.gz KLWVXDLTGDOYRW-ZHUYAKLQSA-N 0 0 415.559 4.616 50 0 HJAARN CCCc1[nH]nc(-c2cc(OC)ccc2OC)c1NC(=O)c1cc(F)cc(F)c1 ZINC000034794160 557470741 /nfs/dbraw/zinc/47/07/41/557470741.db2.gz BNJAESNMMIMREX-UHFFFAOYSA-N 0 0 401.413 4.577 50 0 HJAARN Cc1cccc([C@@H]2[C@H](C(=O)NCc3ccccc3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034924095 557484380 /nfs/dbraw/zinc/48/43/80/557484380.db2.gz ASYGIDCSBSYQBY-JWQCQUIFSA-N 0 0 410.517 4.755 50 0 HJAARN CCc1cccc(NC(=O)N2CCC3(CC2)SCC(=O)N3c2ccc(C)cc2)c1 ZINC000034927552 557485400 /nfs/dbraw/zinc/48/54/00/557485400.db2.gz VUDLDQIPUMRVLP-UHFFFAOYSA-N 0 0 409.555 4.661 50 0 HJAARN CCOC(=O)c1cc([C@H](C)CC)n(-c2ccc(C(=O)N(C)C3CCCCC3)cc2)n1 ZINC000022647866 557492612 /nfs/dbraw/zinc/49/26/12/557492612.db2.gz HAIZIZPOZUHVFG-QGZVFWFLSA-N 0 0 411.546 4.967 50 0 HJAARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(C(C)C)cc2)N2C(=O)CCSC2=N1 ZINC000003652390 557496694 /nfs/dbraw/zinc/49/66/94/557496694.db2.gz MRCNDHAYNNJRKA-HXUWFJFHSA-N 0 0 400.544 4.659 50 0 HJAARN CCc1ccc(N2C(C(C)=O)=NN(c3ccccc3)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000003672754 557497969 /nfs/dbraw/zinc/49/79/69/557497969.db2.gz GQPVCXZJUNKPFE-RUZDIDTESA-N 0 0 413.477 4.906 50 0 HJAARN Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1cc(Cl)cc(Cl)c1 ZINC000003887440 557502902 /nfs/dbraw/zinc/50/29/02/557502902.db2.gz XPMZQAIUBZVBBS-UHFFFAOYSA-N 0 0 401.315 4.543 50 0 HJAARN CC1=C(C(=O)O[C@H]2CC[C@H](C)[C@@H](C)C2)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 ZINC000004066629 557509365 /nfs/dbraw/zinc/50/93/65/557509365.db2.gz UVIDMRLTCLAOKX-DDWFUNMISA-N 0 0 411.329 4.989 50 0 HJAARN O=C1CN=C(c2ccccc2)c2ccccc2N1Cc1cccc(Br)c1 ZINC000004110022 557514479 /nfs/dbraw/zinc/51/44/79/557514479.db2.gz QHDOUMOWPSWOQP-UHFFFAOYSA-N 0 0 405.295 4.833 50 0 HJAARN COc1ccc(N[C@H](NC(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 ZINC000004115998 557515658 /nfs/dbraw/zinc/51/56/58/557515658.db2.gz PXDRGPOVGPPARB-OAHLLOKOSA-N 0 0 408.112 4.887 50 0 HJAARN COC(=O)C1=C(C(=O)OC)[C@H](c2ccccc2)N(c2ccccc2)[C@H]1c1ccccc1 ZINC000004115767 557515674 /nfs/dbraw/zinc/51/56/74/557515674.db2.gz POQQDNGGYUNLCD-ZEQRLZLVSA-N 0 0 413.473 4.632 50 0 HJAARN CC(=O)Oc1cccc2ccc(/C=C/c3cc4c(cc3Br)OCO4)nc21 ZINC000004182549 557525816 /nfs/dbraw/zinc/52/58/16/557525816.db2.gz ILNSIMXCQOYFLG-SOFGYWHQSA-N 0 0 412.239 4.822 50 0 HJAARN COc1ccc(C(=O)[C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000004310008 557539024 /nfs/dbraw/zinc/53/90/24/557539024.db2.gz NOLBAQDITSWYOQ-XUZZJYLKSA-N 0 0 402.425 4.587 50 0 HJAARN Nc1c(C(=O)c2cccs2)sc2nsc(SCCN3CCCCC3)c12 ZINC000004335481 557543528 /nfs/dbraw/zinc/54/35/28/557543528.db2.gz LRARQKZHFQICOU-UHFFFAOYSA-N 0 0 409.627 4.811 50 0 HJAARN CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cccc(C)c1 ZINC000004349774 557544884 /nfs/dbraw/zinc/54/48/84/557544884.db2.gz LSQYXWNKZCTUMX-UHFFFAOYSA-N 0 0 415.950 4.603 50 0 HJAARN C[C@H](NC(=O)NCCCCCCNC(=O)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000004358668 557546097 /nfs/dbraw/zinc/54/60/97/557546097.db2.gz OTHUDWXXFBTNND-PMACEKPBSA-N 0 0 410.562 4.668 50 0 biogenic HJAARN 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O=C(CSc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccccc1)c1ccccc1 ZINC000002720651 557747205 /nfs/dbraw/zinc/74/72/05/557747205.db2.gz WYUDJNCHFWBOBE-UHFFFAOYSA-N 0 0 411.486 4.842 50 0 HJAARN Cc1ccc(-n2ncc3c2nc(SCc2cccc(C(F)(F)F)c2)[nH]c3=O)cc1 ZINC000002717893 557750763 /nfs/dbraw/zinc/75/07/63/557750763.db2.gz QHCAFFLXDSRKSR-UHFFFAOYSA-N 0 0 416.428 4.728 50 0 HJAARN Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)c1c(F)cccc1Cl)CC(=O)N2 ZINC000002724239 557753078 /nfs/dbraw/zinc/75/30/78/557753078.db2.gz LBRFZKDEOKCHKU-JOCHJYFZSA-N 0 0 408.860 4.971 50 0 HJAARN CC[C@@H](C(=O)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccccc1)c1ccccc1 ZINC000002724662 557753157 /nfs/dbraw/zinc/75/31/57/557753157.db2.gz JGOBKNROUPGGEA-YKSBVNFPSA-N 0 0 402.469 4.890 50 0 HJAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccn(Cc2c(F)cccc2Cl)n1 ZINC000002761781 557755594 /nfs/dbraw/zinc/75/55/94/557755594.db2.gz WOKRTPOLUUCKQN-UHFFFAOYSA-N 0 0 410.836 4.940 50 0 HJAARN COc1ccc(OC)c(-c2cc(C(=O)Nc3nc(C)cs3)c3ccccc3n2)c1 ZINC000002763331 557756193 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CCc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCc4ccco4)c3n2)s1 ZINC000002808451 557767241 /nfs/dbraw/zinc/76/72/41/557767241.db2.gz MPOFZNXKJXOOHF-UHFFFAOYSA-N 0 0 420.416 4.562 50 0 HJAARN COc1ccc(Cl)cc1C(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1 ZINC000008186562 557774718 /nfs/dbraw/zinc/77/47/18/557774718.db2.gz YAVDSWJPPHBQLU-UHFFFAOYSA-N 0 0 406.825 4.769 50 0 HJAARN CCc1ccc(/N=c2\oc3c(cccc3OC)cc2C(=O)Nc2nccs2)cc1 ZINC000002951396 557774754 /nfs/dbraw/zinc/77/47/54/557774754.db2.gz ZIUOXELHZQWUSI-FLFQWRMESA-N 0 0 405.479 4.945 50 0 HJAARN O=c1c2ccccc2nc(SCc2ccccc2F)n1Cc1ccc2c(c1)OCO2 ZINC000002970042 557774874 /nfs/dbraw/zinc/77/48/74/557774874.db2.gz CSIYJQPANOZPSO-UHFFFAOYSA-N 0 0 420.465 4.605 50 0 HJAARN COc1ccccc1C(=O)N[C@@H](Nc1ccc(C)cc1C)C(Cl)(Cl)Cl ZINC000003014743 557779586 /nfs/dbraw/zinc/77/95/86/557779586.db2.gz WQFDTJNZFNOAAM-QGZVFWFLSA-N 0 0 401.721 4.850 50 0 HJAARN CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc3c(c2)OCO3)N1c1ccccc1 ZINC000008448811 557790451 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CCCCCCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3 ZINC000020171388 558343554 /nfs/dbraw/zinc/34/35/54/558343554.db2.gz FLHGSLJSHDAQBN-UHFFFAOYSA-N 0 0 411.575 4.557 50 0 HJAARN CC(=O)Nc1sc2c(c1[C@H](c1ccc(Cl)cc1)N1CCOCC1)CCCC2 ZINC000020192253 558344767 /nfs/dbraw/zinc/34/47/67/558344767.db2.gz QIAZOMBRXDRAMB-FQEVSTJZSA-N 0 0 404.963 4.660 50 0 HJAARN O=C(c1cc(C2CC2)on1)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012192560 558348019 /nfs/dbraw/zinc/34/80/19/558348019.db2.gz KFZXYWLGTLXAHS-NRFANRHFSA-N 0 0 400.478 4.954 50 0 HJAARN COc1ccc(-c2nc(CN(C)[C@H](C)c3ccc4c(c3)OCCO4)c(C)o2)cc1OC ZINC000012199759 558351033 /nfs/dbraw/zinc/35/10/33/558351033.db2.gz ZWHSCZUSQVQZOJ-OAHLLOKOSA-N 0 0 424.497 4.631 50 0 HJAARN COc1cccc(C(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)c1 ZINC000020274085 558353169 /nfs/dbraw/zinc/35/31/69/558353169.db2.gz GTVZRZDGGZMCHJ-HXUWFJFHSA-N 0 0 419.868 4.918 50 0 HJAARN Cc1ccc(NC(=O)c2ccccc2OCC(=O)Nc2c(C)cc(C)cc2C)nc1 ZINC000020407238 558360475 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O=C(NCCOc1ccc(C(=O)c2ccccc2)cc1)c1cccc(C(F)(F)F)c1 ZINC000012375952 558391916 /nfs/dbraw/zinc/39/19/16/558391916.db2.gz ZAFRUEJPZOODPW-UHFFFAOYSA-N 0 0 413.395 4.745 50 0 HJAARN CC[C@@H](C(=O)Nc1cccc(C)c1C)n1ccc(C(=O)Nc2cccc(C)c2C)n1 ZINC000020617429 558393694 /nfs/dbraw/zinc/39/36/94/558393694.db2.gz DKGOYCSEQWUXPW-QFIPXVFZSA-N 0 0 404.514 4.959 50 0 HJAARN COc1cccc(C[C@@]2(CO)CCCN(C(=O)CCCc3ccc(Cl)cc3)C2)c1 ZINC000012387055 558395887 /nfs/dbraw/zinc/39/58/87/558395887.db2.gz ZGCNMRLKAZHPFQ-DEOSSOPVSA-N 0 0 415.961 4.515 50 0 HJAARN COc1ccc(CN2CCCC[C@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)cc1 ZINC000012387797 558396727 /nfs/dbraw/zinc/39/67/27/558396727.db2.gz HLKLBSYWVLWJNX-DEOSSOPVSA-N 0 0 417.509 4.876 50 0 HJAARN CC(C)c1nccn1-c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000012401763 558397471 /nfs/dbraw/zinc/39/74/71/558397471.db2.gz SRPNPULVWHGGIY-UHFFFAOYSA-N 0 0 420.332 4.559 50 0 HJAARN COc1ccc(Cn2nccc2NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 ZINC000012409584 558400099 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4.759 50 0 HJAARN O=C(Nc1ccc(F)c(F)c1)[C@H]1CC(=O)Nc2cc(-c3ccc(Cl)cc3)nn21 ZINC000020738351 558408320 /nfs/dbraw/zinc/40/83/20/558408320.db2.gz VHSGDADCPLKSCK-MRXNPFEDSA-N 0 0 402.788 4.653 50 0 HJAARN COc1ccc(-c2nn3c(-c4cc(Cl)ccc4O)nnc3c3ccccc32)cc1 ZINC000020744707 558409487 /nfs/dbraw/zinc/40/94/87/558409487.db2.gz XBDKQQXGZOHYTK-UHFFFAOYSA-N 0 0 402.841 4.979 50 0 HJAARN COc1ccc(-n2ccnc2CN2CCC[C@@H](C(=O)c3ccccc3SC)C2)cc1 ZINC000012437736 558409570 /nfs/dbraw/zinc/40/95/70/558409570.db2.gz HBWTVAXSUGLTDU-GOSISDBHSA-N 0 0 421.566 4.698 50 0 HJAARN CCOC(=O)C1(CC2CC2)CCN(C(=O)c2cc(C)nc3ccc(CC)cc32)CC1 ZINC000012441023 558412079 /nfs/dbraw/zinc/41/20/79/558412079.db2.gz FQILFKXZTOIJNR-UHFFFAOYSA-N 0 0 408.542 4.691 50 0 HJAARN COc1ccc(OCC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000010692424 558418122 /nfs/dbraw/zinc/41/81/22/558418122.db2.gz OFMDGDNFSFVBTC-QFIPXVFZSA-N 0 0 400.478 4.504 50 0 HJAARN CCOC(=O)CCC(=O)Nc1c2ccccc2oc1C(=O)Nc1cccc(Cl)c1 ZINC000004341981 558425816 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CCC(=O)c1ccc(OCC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)cc1 ZINC000021179569 558433149 /nfs/dbraw/zinc/43/31/49/558433149.db2.gz SFDBLLXVAKDJRF-JOCHJYFZSA-N 0 0 401.462 4.825 50 0 HJAARN CCc1cc2c(nc(SCC(=O)c3cccs3)n(Cc3ccco3)c2=O)s1 ZINC000012583930 558433465 /nfs/dbraw/zinc/43/34/65/558433465.db2.gz XKMXTCFZJPPSTI-UHFFFAOYSA-N 0 0 416.549 4.698 50 0 HJAARN ClC1(Cl)C[C@H]1CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 ZINC000012633721 558442591 /nfs/dbraw/zinc/44/25/91/558442591.db2.gz XAJGWJFMXDTQIG-ZDUSSCGKSA-N 0 0 420.321 4.949 50 0 HJAARN C[C@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1cccc2ccccc21 ZINC000021636956 558444013 /nfs/dbraw/zinc/44/40/13/558444013.db2.gz JGYLIGPOXGFTBC-ICSRJNTNSA-N 0 0 401.510 4.961 50 0 HJAARN O=S(=O)(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccc(Cl)cc1 ZINC000021663213 558445207 /nfs/dbraw/zinc/44/52/07/558445207.db2.gz XFTJNYCKZGSNOC-UHFFFAOYSA-N 0 0 411.870 4.858 50 0 HJAARN CC(=O)c1ccc(C(=O)N2CCC[C@H](CCC(=O)Nc3ccc(F)cc3C)C2)s1 ZINC000012705824 558449865 /nfs/dbraw/zinc/44/98/65/558449865.db2.gz VEVCKPFCUHJISB-MRXNPFEDSA-N 0 0 416.518 4.669 50 0 HJAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3sccc3C)C2)c(C)c1 ZINC000012713281 558453798 /nfs/dbraw/zinc/45/37/98/558453798.db2.gz ZHHGDLZMRWDZQW-KRWDZBQOSA-N 0 0 400.544 4.645 50 0 HJAARN COc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2occc2C)c1OC ZINC000012714014 558454188 /nfs/dbraw/zinc/45/41/88/558454188.db2.gz AVRAJKFEFVDKGO-QFIPXVFZSA-N 0 0 416.477 4.874 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000021895157 558454518 /nfs/dbraw/zinc/45/45/18/558454518.db2.gz MLBVPWKQFHOJKJ-UHFFFAOYSA-N 0 0 401.554 4.903 50 0 HJAARN O=C(Cn1c2ccccc2nc1SC(F)F)N(Cc1ccccc1F)C1CC1 ZINC000022009654 558457574 /nfs/dbraw/zinc/45/75/74/558457574.db2.gz IQLJILDHJLIPCL-UHFFFAOYSA-N 0 0 405.445 4.681 50 0 HJAARN Cc1ccc(S(=O)(=O)C2(C(=O)N[C@@H](C)CCc3ccccc3)CCCC2)cc1C ZINC000022058624 558460352 /nfs/dbraw/zinc/46/03/52/558460352.db2.gz UMWVHQYKKDWBHD-FQEVSTJZSA-N 0 0 413.583 4.527 50 0 HJAARN O=C(c1cccc2cccnc21)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022069647 558461397 /nfs/dbraw/zinc/46/13/97/558461397.db2.gz ASJWDCAJXFCDFU-UHFFFAOYSA-N 0 0 407.517 4.782 50 0 HJAARN COc1ccc(-c2nc(NC(=O)c3cnccn3)sc2-c2ccc(OC)cc2)cc1 ZINC000012775292 558462772 /nfs/dbraw/zinc/46/27/72/558462772.db2.gz WTZZBRJORNWCGQ-UHFFFAOYSA-N 0 0 418.478 4.537 50 0 HJAARN O=C(NC1CC1)c1cccc(N[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1 ZINC000012788051 558463780 /nfs/dbraw/zinc/46/37/80/558463780.db2.gz RIVRMUVISKRGGW-QFIPXVFZSA-N 0 0 403.457 4.510 50 0 HJAARN O=C(CCc1c[nH]c2ccccc12)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3 ZINC000010822387 558464961 /nfs/dbraw/zinc/46/49/61/558464961.db2.gz NGNJAVXWVSRMIW-UHFFFAOYSA-N 0 0 416.521 4.726 50 0 HJAARN COc1ccccc1CC(=O)N(Cc1ccccc1)[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000022227780 558467540 /nfs/dbraw/zinc/46/75/40/558467540.db2.gz LREOSBLWGJFZJG-IBGZPJMESA-N 0 0 416.521 4.986 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000012797205 558469856 /nfs/dbraw/zinc/46/98/56/558469856.db2.gz UBZAMTITGVDGTF-JOCHJYFZSA-N 0 0 422.960 4.709 50 0 HJAARN CCC(C)(C)NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1 ZINC000012800029 558471451 /nfs/dbraw/zinc/47/14/51/558471451.db2.gz KGBGZZFXABIBMY-UHFFFAOYSA-N 0 0 407.605 4.587 50 0 HJAARN CCCS(=O)(=O)c1c(N)c(C(=O)c2ccccc2)sc1Nc1ccccc1C ZINC000004372179 558473652 /nfs/dbraw/zinc/47/36/52/558473652.db2.gz BKZGIOPTRUSEJF-UHFFFAOYSA-N 0 0 414.552 4.797 50 0 aggregator HJAARN CC(C)c1cc(C(=O)Nc2cccc(N3CCCC3=O)c2)c2cnn(C(C)C)c2n1 ZINC000012805994 558473667 /nfs/dbraw/zinc/47/36/67/558473667.db2.gz VIIZZNQVBJVQTE-UHFFFAOYSA-N 0 0 405.502 4.515 50 0 HJAARN Cc1ccc(C)c(OCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000022276342 558475553 /nfs/dbraw/zinc/47/55/53/558475553.db2.gz HOEWPCJSDUCOCZ-UHFFFAOYSA-N 0 0 414.549 4.616 50 0 HJAARN CCc1ccc(NC(=O)CSC2=N[C@H](C(F)(F)F)C[C@@H](c3ccccc3)N2)cc1 ZINC000012848163 558479198 /nfs/dbraw/zinc/47/91/98/558479198.db2.gz PQUAZNYYMOYQGO-ROUUACIJSA-N 0 0 421.488 4.942 50 0 HJAARN O=C(c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)N1CCc2ccccc21 ZINC000012854593 558480114 /nfs/dbraw/zinc/48/01/14/558480114.db2.gz BWOLGRCIZKTQCO-VWLOTQADSA-N 0 0 414.530 4.664 50 0 HJAARN COc1ccc(-c2csc(NC(=O)c3nc(Cl)ccc3Cl)n2)c(OC)c1 ZINC000022365497 558483505 /nfs/dbraw/zinc/48/35/05/558483505.db2.gz GCTSDUIVLGOBRA-UHFFFAOYSA-N 0 0 410.282 4.781 50 0 HJAARN Cc1nc(-c2ccc(C)cc2)sc1CCNS(=O)(=O)c1ccc(C)c(C)c1 ZINC000004392400 558485022 /nfs/dbraw/zinc/48/50/22/558485022.db2.gz NQEQBBHHAIHJKR-UHFFFAOYSA-N 0 0 400.569 4.565 50 0 HJAARN Cc1nc(-c2cccc(C)c2)sc1CCNC(=O)C(=O)Nc1c(C)cc(C)cc1C ZINC000004392930 558485796 /nfs/dbraw/zinc/48/57/96/558485796.db2.gz SZPKOMQBOUCLMD-UHFFFAOYSA-N 0 0 421.566 4.650 50 0 HJAARN Cc1cc(C(=O)Nc2ccccc2Oc2ccccc2)cc(S(=O)(=O)N(C)C)c1C ZINC000022398860 558487124 /nfs/dbraw/zinc/48/71/24/558487124.db2.gz VJUSFFORQRGJKP-UHFFFAOYSA-N 0 0 424.522 4.598 50 0 HJAARN COc1ccc(-c2nc(C(=O)N(C)Cc3ccccc3Cl)cs2)cc1OC ZINC000012971699 558489085 /nfs/dbraw/zinc/48/90/85/558489085.db2.gz ZYNWIWDHEBVYRU-UHFFFAOYSA-N 0 0 402.903 4.753 50 0 HJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000012971967 558489254 /nfs/dbraw/zinc/48/92/54/558489254.db2.gz KRKXHNSEOKGBNF-ZIAGYGMSSA-N 0 0 419.312 4.561 50 0 HJAARN Cc1cccc(C)c1NC(=O)CCCSCC(=O)NCCSc1ccccc1 ZINC000012973388 558489980 /nfs/dbraw/zinc/48/99/80/558489980.db2.gz AXAXKIDSGPASEM-UHFFFAOYSA-N 0 0 416.612 4.664 50 0 HJAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(I)cc1 ZINC000012993468 558497478 /nfs/dbraw/zinc/49/74/78/558497478.db2.gz ADWVHGXERHSJNT-NSHDSACASA-N 0 0 422.291 4.734 50 0 HJAARN O=C(c1cncc(Br)c1)N(CCc1ccccc1)Cc1cccs1 ZINC000013011319 558503282 /nfs/dbraw/zinc/50/32/82/558503282.db2.gz PCMGFKUSADDUTQ-UHFFFAOYSA-N 0 0 401.329 4.791 50 0 HJAARN Cc1cc(F)ccc1N[C@@H](CNS(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000013133819 558520531 /nfs/dbraw/zinc/52/05/31/558520531.db2.gz BNWPVMAOBUZKHE-KRWDZBQOSA-N 0 0 424.950 4.981 50 0 HJAARN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1)Nc1ccc(F)cc1F ZINC000013145575 558522920 /nfs/dbraw/zinc/52/29/20/558522920.db2.gz JDJZUMOEXWSFKG-UHFFFAOYSA-N 0 0 421.400 4.549 50 0 HJAARN CC(C)c1nc2oc3c(ncnc3NCc3ccncc3)c2c2c1COC(C)(C)C2 ZINC000013207133 558525452 /nfs/dbraw/zinc/52/54/52/558525452.db2.gz FJDUFHJSCAVYMI-UHFFFAOYSA-N 0 0 403.486 4.753 50 0 HJAARN Cc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Cl)cc2)c1 ZINC000013228259 558527467 /nfs/dbraw/zinc/52/74/67/558527467.db2.gz NRYPNISNRLNQJJ-HXUWFJFHSA-N 0 0 402.837 4.900 50 0 HJAARN COc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1 ZINC000013228278 558527491 /nfs/dbraw/zinc/52/74/91/558527491.db2.gz MNZUZRCRFJAJKS-QFIPXVFZSA-N 0 0 412.445 4.563 50 0 HJAARN O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(I)cc1 ZINC000013282926 558528910 /nfs/dbraw/zinc/52/89/10/558528910.db2.gz KERXYTASBCMUMG-UHFFFAOYSA-N 0 0 414.246 4.529 50 0 HJAARN CCCCCC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)CC(C)C ZINC000004422418 558534816 /nfs/dbraw/zinc/53/48/16/558534816.db2.gz KVDBSDCPZHANOZ-UHFFFAOYSA-N 0 0 412.574 4.916 50 0 HJAARN N=C1NC(=O)/C(=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)S1 ZINC000023128357 558536377 /nfs/dbraw/zinc/53/63/77/558536377.db2.gz JLUXBHVRIJGJSL-IZZDOVSWSA-N 0 0 415.721 4.985 50 0 HJAARN CC(C)Cc1cc(-c2nn3c(COc4ccc(Cl)cc4Cl)nnc3s2)n[nH]1 ZINC000013552614 558539504 /nfs/dbraw/zinc/53/95/04/558539504.db2.gz CPJWMAZHDYTURH-UHFFFAOYSA-N 0 0 423.329 4.660 50 0 HJAARN COc1cc(CNC(=O)c2c(C)noc2-c2cccc(C(F)(F)F)c2)cc(OC)c1 ZINC000023332856 558549537 /nfs/dbraw/zinc/54/95/37/558549537.db2.gz OMIOTMPECBUUDX-UHFFFAOYSA-N 0 0 420.387 4.616 50 0 HJAARN O=C(CCc1ccccc1)Nc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000013631060 558552294 /nfs/dbraw/zinc/55/22/94/558552294.db2.gz KZWUMLXJVNRGGD-UHFFFAOYSA-N 0 0 408.885 4.929 50 0 HJAARN CCc1ccc(OCC(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)cc1 ZINC000013631093 558552298 /nfs/dbraw/zinc/55/22/98/558552298.db2.gz LKRBZSKWUKKVJH-UHFFFAOYSA-N 0 0 402.494 4.838 50 0 HJAARN O=C(c1cc(-c2cccs2)nc2onc(-c3ccccc3)c21)N1CCSCC1 ZINC000013641485 558555736 /nfs/dbraw/zinc/55/57/36/558555736.db2.gz BOLPXHOPFDLUQH-UHFFFAOYSA-N 0 0 407.520 4.807 50 0 HJAARN Cc1ccccc1C(=O)N1CCC(C(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000023433643 558558289 /nfs/dbraw/zinc/55/82/89/558558289.db2.gz FUVWYJYWIRXBQV-LJQANCHMSA-N 0 0 400.522 4.878 50 0 HJAARN COc1cccc(-c2nc(C)c(C(=O)NCCc3c[nH]c4ccc(F)cc34)s2)c1 ZINC000013688309 558570768 /nfs/dbraw/zinc/57/07/68/558570768.db2.gz WEOQZVZMMSWIQL-UHFFFAOYSA-N 0 0 409.486 4.720 50 0 HJAARN CC[C@@H](c1nn2c(nnc2-c2cncc(Br)c2)s1)c1ccccc1 ZINC000013688726 558571181 /nfs/dbraw/zinc/57/11/81/558571181.db2.gz WTYQWHCWENSBPB-CQSZACIVSA-N 0 0 400.305 4.552 50 0 HJAARN Cc1cccnc1NC(=O)COc1ccc2c(c1)oc(C)c(Oc1ccccc1)c2=O ZINC000013689477 558571824 /nfs/dbraw/zinc/57/18/24/558571824.db2.gz ULPCSZXFAAIUAW-UHFFFAOYSA-N 0 0 416.433 4.615 50 0 HJAARN COc1ccc(CN(C(=O)Cn2c3ccccc3nc2SC(F)F)C2CC2)cc1 ZINC000023925727 558581673 /nfs/dbraw/zinc/58/16/73/558581673.db2.gz OQFJKFYCQCHSQD-UHFFFAOYSA-N 0 0 417.481 4.551 50 0 HJAARN CN(Cc1ccc2ccccc2c1)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000023956940 558582587 /nfs/dbraw/zinc/58/25/87/558582587.db2.gz DLHSKXXPWZQDHB-HHHXNRCGSA-N 0 0 423.516 4.850 50 0 HJAARN CCc1nc2ccc(C(=O)Nc3nc(C)c(-c4ccccn4)s3)cc2nc1CC ZINC000024031826 558585324 /nfs/dbraw/zinc/58/53/24/558585324.db2.gz IPEKEMGVWGXURT-UHFFFAOYSA-N 0 0 403.511 4.834 50 0 HJAARN CC(C)c1ccc(NC(=S)N(C)Cc2cc3cccc4c3n(c2=O)CCC4)cc1 ZINC000013730743 558586419 /nfs/dbraw/zinc/58/64/19/558586419.db2.gz VFPKRBVBLSAGNS-UHFFFAOYSA-N 0 0 405.567 4.900 50 0 HJAARN COc1ccccc1C(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013750058 558589475 /nfs/dbraw/zinc/58/94/75/558589475.db2.gz WFDGTKMGTXHKQH-UHFFFAOYSA-N 0 0 404.510 4.820 50 0 HJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccccc1F ZINC000013757782 558590576 /nfs/dbraw/zinc/59/05/76/558590576.db2.gz HVUFVBBWSSEYOL-QHAWAJNXSA-N 0 0 422.843 4.530 50 0 HJAARN CN(Cc1ccccc1N1CCOCC1)C(=O)c1sc2cc(F)ccc2c1Cl ZINC000024191599 558591439 /nfs/dbraw/zinc/59/14/39/558591439.db2.gz CYHZFDGMAUYNPW-UHFFFAOYSA-N 0 0 418.921 4.803 50 0 HJAARN COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000013786498 558593248 /nfs/dbraw/zinc/59/32/48/558593248.db2.gz ZYDQKCMGLCHIGY-YKSBVNFPSA-N 0 0 400.434 4.666 50 0 HJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc(F)c3)[C@H]2C(=O)N1c1ccccc1Cl ZINC000013805691 558595014 /nfs/dbraw/zinc/59/50/14/558595014.db2.gz BGTBINSKIDETII-NJDAHSKKSA-N 0 0 422.843 4.530 50 0 HJAARN CN1c2ccccc2[C@@]2(Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)C1=O ZINC000013809995 558595228 /nfs/dbraw/zinc/59/52/28/558595228.db2.gz YBNVITVFXHUKTR-ZJSXRUAMSA-N 0 0 415.880 4.713 50 0 HJAARN O=C(CNc1ccc(Br)cc1F)N[C@@H](c1cccs1)c1ccccc1 ZINC000010947216 558597336 /nfs/dbraw/zinc/59/73/36/558597336.db2.gz BELATBQBFFQTFQ-LJQANCHMSA-N 0 0 419.319 4.967 50 0 HJAARN Cc1ccc(-c2nc3scc(CCNC(=O)c4ccc5ccccc5c4)n3n2)cc1 ZINC000004478846 558601410 /nfs/dbraw/zinc/60/14/10/558601410.db2.gz CZNMRHNZDLBDRP-UHFFFAOYSA-N 0 0 412.518 4.892 50 0 HJAARN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2nn(-c3ccccc3)nc2c1 ZINC000013946116 558607304 /nfs/dbraw/zinc/60/73/04/558607304.db2.gz OZJHIIZLJLXPFD-UHFFFAOYSA-N 0 0 413.264 4.988 50 0 HJAARN Cc1c(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cnn1-c1cccc(C)c1 ZINC000024691620 558607690 /nfs/dbraw/zinc/60/76/90/558607690.db2.gz HSYCAFMNOSWBIX-GOSISDBHSA-N 0 0 400.482 4.650 50 0 HJAARN CN(C)c1ccc(-c2nnc3sc(COc4cccc5ccccc54)nn32)cc1 ZINC000013956989 558607898 /nfs/dbraw/zinc/60/78/98/558607898.db2.gz GFJPOOAIMSBCMU-UHFFFAOYSA-N 0 0 401.495 4.651 50 0 HJAARN Cc1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)c1C ZINC000004491406 558609591 /nfs/dbraw/zinc/60/95/91/558609591.db2.gz BENFQBYHPQHWGR-OAQYLSRUSA-N 0 0 407.514 4.859 50 0 HJAARN Cc1cc(C)cc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)c1 ZINC000004491958 558609787 /nfs/dbraw/zinc/60/97/87/558609787.db2.gz VWPVSRJYAVLWPM-JOCHJYFZSA-N 0 0 407.514 4.717 50 0 biogenic HJAARN O=C(COc1cccc(C(F)(F)F)c1)N1CCS[C@H](c2cccs2)CC1 ZINC000219526328 558610040 /nfs/dbraw/zinc/61/00/40/558610040.db2.gz KNXUVCUKCVWVQC-INIZCTEOSA-N 0 0 401.475 4.853 50 0 HJAARN CCCCc1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2-c2cc(C)ccn2)n1 ZINC000024759046 558610804 /nfs/dbraw/zinc/61/08/04/558610804.db2.gz LEPMFQJXFAYDMB-OAHLLOKOSA-N 0 0 421.526 4.668 50 0 HJAARN O=C(Nc1cccc(Br)c1)c1csc(COc2ccc(F)cc2)n1 ZINC000024770032 558611946 /nfs/dbraw/zinc/61/19/46/558611946.db2.gz KLGMIGULQFMHPI-UHFFFAOYSA-N 0 0 407.264 4.876 50 0 HJAARN COc1ccc(OC)c(CCC(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)c1 ZINC000024778546 558612919 /nfs/dbraw/zinc/61/29/19/558612919.db2.gz ZNDOBGIJUFATTG-UHFFFAOYSA-N 0 0 418.465 4.601 50 0 HJAARN Cc1nc(-c2cccc(NC(=O)C3CCN(C(=O)c4cccs4)CC3)c2)cs1 ZINC000014018259 558613953 /nfs/dbraw/zinc/61/39/53/558613953.db2.gz GQUFLRBRMQYMBQ-UHFFFAOYSA-N 0 0 411.552 4.671 50 0 HJAARN CC(=O)N[C@@H](CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)c1ccc(Cl)cc1 ZINC000024835561 558615789 /nfs/dbraw/zinc/61/57/89/558615789.db2.gz ADVNMRGABWSBGG-NRFANRHFSA-N 0 0 424.932 4.657 50 0 HJAARN CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1csc2ccccc12 ZINC000014058159 558615827 /nfs/dbraw/zinc/61/58/27/558615827.db2.gz XLTXYQGEEHONAM-UHFFFAOYSA-N 0 0 408.552 4.588 50 0 HJAARN O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC000004505623 558616380 /nfs/dbraw/zinc/61/63/80/558616380.db2.gz ZIEAVRFAISGXEC-UHFFFAOYSA-N 0 0 411.501 4.923 50 0 HJAARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](NC(=O)c1ccco1)c1ccccc1 ZINC000024842446 558616981 /nfs/dbraw/zinc/61/69/81/558616981.db2.gz FWSXRMACSPNDER-IBGZPJMESA-N 0 0 417.292 4.716 50 0 HJAARN CC(=O)N1CCc2cc(-c3nc(CC(=O)Nc4ccccc4C)sc3C)ccc21 ZINC000014103074 558620354 /nfs/dbraw/zinc/62/03/54/558620354.db2.gz YAFLZCKQGAEPGE-UHFFFAOYSA-N 0 0 405.523 4.517 50 0 HJAARN Cc1c2cc(Cl)ccc2oc1C(=O)N(Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000024945253 558621893 /nfs/dbraw/zinc/62/18/93/558621893.db2.gz YZGAJCSHOZAZOU-UHFFFAOYSA-N 0 0 409.873 4.682 50 0 HJAARN C[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2csc(-c3ccccc3Cl)n2)C1=O ZINC000024964109 558622524 /nfs/dbraw/zinc/62/25/24/558622524.db2.gz RECODBBBEKAOJQ-HXUWFJFHSA-N 0 0 415.877 4.570 50 0 HJAARN Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@H](C)c1nc2ccccc2n1C(F)F ZINC000024983841 558624534 /nfs/dbraw/zinc/62/45/34/558624534.db2.gz JOQSAIMNBXJDNO-AWEZNQCLSA-N 0 0 424.451 4.857 50 0 HJAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000024986169 558625115 /nfs/dbraw/zinc/62/51/15/558625115.db2.gz LJPQRNDINNBGBH-LSDHHAIUSA-N 0 0 412.481 4.544 50 0 HJAARN Cc1ccc(-c2cc(C(=O)Nc3nnc(CC(C)C)s3)c3c(C)noc3n2)s1 ZINC000025001369 558626716 /nfs/dbraw/zinc/62/67/16/558626716.db2.gz RLEQSWZLKAQRIA-UHFFFAOYSA-N 0 0 413.528 4.870 50 0 HJAARN COc1ccc(OC)c(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)c1 ZINC000014169707 558627134 /nfs/dbraw/zinc/62/71/34/558627134.db2.gz LBHIJCMARMFOFH-NRFANRHFSA-N 0 0 400.478 4.747 50 0 HJAARN C[C@@H]1CN(Cc2ccc(C(=O)Nc3ccc(-c4nccs4)cc3)cc2)C[C@@H](C)O1 ZINC000025080983 558630932 /nfs/dbraw/zinc/63/09/32/558630932.db2.gz WSDUDPYGJOQHTF-IAGOWNOFSA-N 0 0 407.539 4.672 50 0 HJAARN Cc1noc(C)c1CSc1ccccc1C(=O)Oc1ccc2sc(=O)oc2c1 ZINC000014186402 558631173 /nfs/dbraw/zinc/63/11/73/558631173.db2.gz HCZALHUURNTSMS-UHFFFAOYSA-N 0 0 413.476 4.971 50 0 HJAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1csc(-c2ccccc2)n1 ZINC000014189360 558632233 /nfs/dbraw/zinc/63/22/33/558632233.db2.gz JAHQAOPJVNXUPW-UHFFFAOYSA-N 0 0 419.428 4.540 50 0 HJAARN CCN1c2ccc(NC(=O)Cc3cccc4ccccc43)cc2OCC(C)(C)C1=O ZINC000010972316 558633108 /nfs/dbraw/zinc/63/31/08/558633108.db2.gz NSQGOTBMCCZQAU-UHFFFAOYSA-N 0 0 402.494 4.793 50 0 HJAARN COc1ccc(-c2nc(CC(=O)N(Cc3ccccc3)C(C)C)cs2)cc1OC ZINC000014197342 558634029 /nfs/dbraw/zinc/63/40/29/558634029.db2.gz XPXSTBJHJXJAAY-UHFFFAOYSA-N 0 0 410.539 4.807 50 0 HJAARN Cc1c(-c2ccccc2)sc2ncnc(NC3CCN(C(=O)c4ccco4)CC3)c12 ZINC000014201926 558637207 /nfs/dbraw/zinc/63/72/07/558637207.db2.gz LJTYJIZGIPRTSV-UHFFFAOYSA-N 0 0 418.522 4.976 50 0 HJAARN COc1ccc([C@H]2CCCN2Cn2ncn(CCc3cccs3)c2=S)cc1 ZINC000014210690 558637801 /nfs/dbraw/zinc/63/78/01/558637801.db2.gz OCKBQTPLUKZFOH-LJQANCHMSA-N 0 0 400.573 4.521 50 0 HJAARN O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCN(c2ccccc2Cl)CC1 ZINC000025393019 558639975 /nfs/dbraw/zinc/63/99/75/558639975.db2.gz JOUBYPLEXBCUGZ-QHCPKHFHSA-N 0 0 423.919 4.981 50 0 HJAARN CN(Cc1ccc(C(F)(F)F)cc1)Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000025461838 558641699 /nfs/dbraw/zinc/64/16/99/558641699.db2.gz QXUWLMFSODWAKG-UHFFFAOYSA-N 0 0 407.461 4.514 50 0 HJAARN Oc1ccc(Br)c([C@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)c1 ZINC000025559753 558643827 /nfs/dbraw/zinc/64/38/27/558643827.db2.gz UURPCKVFPOVUCN-FXAWDEMLSA-N 0 0 411.255 4.990 50 0 HJAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3ccc(Br)cc3F)c12 ZINC000025630128 558646419 /nfs/dbraw/zinc/64/64/19/558646419.db2.gz MTWASGVNYMRWHB-UHFFFAOYSA-N 0 0 405.271 4.554 50 0 HJAARN Cc1c(C(=O)Oc2ccc(NC(=O)c3ccccc3Cl)cc2)[nH]c2c1C(=O)CCC2 ZINC000025710328 558648428 /nfs/dbraw/zinc/64/84/28/558648428.db2.gz DZUXIYYVLSDIMC-UHFFFAOYSA-N 0 0 422.868 4.967 50 0 HJAARN Cc1cccc(C)c1Nc1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC000025748635 558648963 /nfs/dbraw/zinc/64/89/63/558648963.db2.gz YOWBYERIHQIESO-UHFFFAOYSA-N 0 0 408.571 4.763 50 0 HJAARN Oc1ccc(Nc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)cc1 ZINC000025784830 558650333 /nfs/dbraw/zinc/65/03/33/558650333.db2.gz UICIJPHFTIKITK-UHFFFAOYSA-N 0 0 418.522 4.640 50 0 HJAARN Cc1cc(C)n2nc(S[C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)nc2n1 ZINC000004523581 558652353 /nfs/dbraw/zinc/65/23/53/558652353.db2.gz MHVMRPJTYMMPFI-INIZCTEOSA-N 0 0 403.511 4.527 50 0 HJAARN CCOc1cc(C(=O)Nc2ccc3oc(C)nc3c2)cc(Br)c1OC ZINC000014367389 558653417 /nfs/dbraw/zinc/65/34/17/558653417.db2.gz CBRBFCFFIPRAIH-UHFFFAOYSA-N 0 0 405.248 4.558 50 0 HJAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000026001883 558653362 /nfs/dbraw/zinc/65/33/62/558653362.db2.gz KNLVPCJRTAARNF-IBGZPJMESA-N 0 0 410.495 4.560 50 0 HJAARN CC(C)C(=O)N(CC(=O)N(Cc1cccs1)Cc1ccccc1)Cc1ccco1 ZINC000004527184 558653820 /nfs/dbraw/zinc/65/38/20/558653820.db2.gz GXQGREOKTOWIQO-UHFFFAOYSA-N 0 0 410.539 4.555 50 0 HJAARN O=c1oc2ccccc2n1CCSc1nc2ccccc2c(=O)n1C1CCCCC1 ZINC000026031646 558653855 /nfs/dbraw/zinc/65/38/55/558653855.db2.gz RWHDGDFCSNAXQV-UHFFFAOYSA-N 0 0 421.522 4.602 50 0 HJAARN CC(=O)N[C@@H](C)c1ccc(C(=O)CSc2nccn2-c2cc(C)ccc2C)cc1 ZINC000026047622 558654408 /nfs/dbraw/zinc/65/44/08/558654408.db2.gz KYELGAWBJZGPSO-KRWDZBQOSA-N 0 0 407.539 4.661 50 0 HJAARN Cc1cc(Br)ccc1SCC(=O)NCc1coc(-c2cccs2)n1 ZINC000026064692 558654698 /nfs/dbraw/zinc/65/46/98/558654698.db2.gz UWCZSOHPGSDAOL-UHFFFAOYSA-N 0 0 423.357 4.883 50 0 HJAARN O=S(=O)(Nc1ccc(-c2cnc(C3CC3)o2)cc1)c1ccc(Br)cc1 ZINC000026548096 558663035 /nfs/dbraw/zinc/66/30/35/558663035.db2.gz NTHPVWVSCLAQGG-UHFFFAOYSA-N 0 0 419.300 4.782 50 0 HJAARN C[C@H](Sc1nnc(NCCc2cccs2)s1)C(=O)c1ccc(F)c(F)c1 ZINC000014703705 558664346 /nfs/dbraw/zinc/66/43/46/558664346.db2.gz UYNNGSXEBVEDGB-JTQLQIEISA-N 0 0 411.524 4.896 50 0 HJAARN CCCN(Cc1coc(-c2cccc(F)c2)n1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000026777319 558665071 /nfs/dbraw/zinc/66/50/71/558665071.db2.gz NRUDYEKKUXGUIM-UHFFFAOYSA-N 0 0 408.882 4.735 50 0 HJAARN Cc1ccc(C(=O)N(C(=O)c2ccc(C)cc2Cl)C2=NCCS2)c(Cl)c1 ZINC000004550439 558673870 /nfs/dbraw/zinc/67/38/70/558673870.db2.gz PWKJYJHWOBSYKY-UHFFFAOYSA-N 0 0 407.322 4.996 50 0 HJAARN CN(CCS(=O)(=O)c1ccc(Cl)cc1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000014814193 558674130 /nfs/dbraw/zinc/67/41/30/558674130.db2.gz QBHOFUWSPWJWAN-JOCHJYFZSA-N 0 0 417.933 4.974 50 0 HJAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)O[C@@H](C)C(=O)c1ccc(F)c(F)c1 ZINC000014854236 558674864 /nfs/dbraw/zinc/67/48/64/558674864.db2.gz DHKDXZIOBCZDHG-NSHDSACASA-N 0 0 405.397 4.964 50 0 HJAARN COc1ccc(C[C@]2(CCC(=O)NC3CCCCCC3)CCC(=O)N2)c2ccccc12 ZINC000014888456 558677811 /nfs/dbraw/zinc/67/78/11/558677811.db2.gz QDVSCSNANCZNCE-SANMLTNESA-N 0 0 422.569 4.659 50 0 HJAARN CCCn1c2cc(C(F)(F)F)ccc2nc1S[C@@H](C)C(=O)Nc1cc(C)on1 ZINC000011021888 558677936 /nfs/dbraw/zinc/67/79/36/558677936.db2.gz OFLXYSJPERVJEV-NSHDSACASA-N 0 0 412.437 4.881 50 0 HJAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1cc2c(s1)CCC2 ZINC000014895523 558678188 /nfs/dbraw/zinc/67/81/88/558678188.db2.gz OPMFQNJIAXJHJU-UHFFFAOYSA-N 0 0 416.852 4.620 50 0 HJAARN CCOC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc(C)c(F)c3)on1)CCC2 ZINC000027663220 558678640 /nfs/dbraw/zinc/67/86/40/558678640.db2.gz OAGRUURPJKRLIU-UHFFFAOYSA-N 0 0 414.458 4.768 50 0 HJAARN CCSc1ncc(Br)c(C(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000027748038 558681670 /nfs/dbraw/zinc/68/16/70/558681670.db2.gz YLCBOWRXFKDMBP-UHFFFAOYSA-N 0 0 406.227 4.622 50 0 HJAARN Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1 ZINC000027991869 558688286 /nfs/dbraw/zinc/68/82/86/558688286.db2.gz IUPQAJTVKHHQBP-HXUWFJFHSA-N 0 0 412.917 4.506 50 0 HJAARN COc1ccc(CN(Cc2ccco2)C(=O)c2cc(=O)c3ccc(C)c(C)c3o2)cc1 ZINC000027992867 558688529 /nfs/dbraw/zinc/68/85/29/558688529.db2.gz XKTUHVPKRKGTRV-UHFFFAOYSA-N 0 0 417.461 4.854 50 0 HJAARN Cc1c2cc(C)cc(C)c2oc1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000028228408 558693270 /nfs/dbraw/zinc/69/32/70/558693270.db2.gz WKVOJKXBPDQCOR-UHFFFAOYSA-N 0 0 414.508 4.624 50 0 HJAARN CCCCN(C(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1)c1ccccc1 ZINC000028243281 558693531 /nfs/dbraw/zinc/69/35/31/558693531.db2.gz HBBYOPWLBSLIHF-UHFFFAOYSA-N 0 0 403.526 4.960 50 0 HJAARN CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)c2ccccc2F)C3)c1 ZINC000014993486 558695218 /nfs/dbraw/zinc/69/52/18/558695218.db2.gz IJFXKVWVKYVGPK-SFHVURJKSA-N 0 0 421.443 4.876 50 0 HJAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(F)c(F)cc1Cl ZINC000015001338 558697905 /nfs/dbraw/zinc/69/79/05/558697905.db2.gz QKYJDSJDEZMINY-UHFFFAOYSA-N 0 0 420.765 4.738 50 0 HJAARN Cc1ccc(Sc2ncccc2C(=O)NCCCc2nc(C(C)C)no2)cc1C ZINC000072274582 558700217 /nfs/dbraw/zinc/70/02/17/558700217.db2.gz GUHGOYKABGLRKO-UHFFFAOYSA-N 0 0 410.543 4.719 50 0 HJAARN CCOc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)ccc1OCC(C)C ZINC000015011303 558700594 /nfs/dbraw/zinc/70/05/94/558700594.db2.gz RXAXFOAKHXRPRC-PDGQHHTCSA-N 0 0 402.560 4.510 50 0 HJAARN COc1cccc(NC(=O)c2c(N)n(C(=O)c3ccc(Cl)cc3)c3ccccc32)c1 ZINC000028535397 558702134 /nfs/dbraw/zinc/70/21/34/558702134.db2.gz MWYBFHOXAOWLEC-UHFFFAOYSA-N 0 0 419.868 4.826 50 0 HJAARN Cc1cc2oc(=O)cc(CSc3nc4sccc4c(=O)n3C)c2cc1C(C)C ZINC000028697376 558703951 /nfs/dbraw/zinc/70/39/51/558703951.db2.gz OEOPNOGKUUOOGH-UHFFFAOYSA-N 0 0 412.536 4.826 50 0 HJAARN O=C(c1ccc2nc(C3CCCCC3)oc2c1)N1CCCN(Cc2ccccn2)CC1 ZINC000015062718 558705612 /nfs/dbraw/zinc/70/56/12/558705612.db2.gz UMBHYSZTGSWGLI-UHFFFAOYSA-N 0 0 418.541 4.619 50 0 HJAARN CC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000015064560 558707537 /nfs/dbraw/zinc/70/75/37/558707537.db2.gz CGYHUQBHEVWUAB-UHFFFAOYSA-N 0 0 410.562 4.643 50 0 HJAARN CC(C)c1noc(CN2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)n1 ZINC000029137477 558710801 /nfs/dbraw/zinc/71/08/01/558710801.db2.gz LQRZGTLXKVXRFJ-UHFFFAOYSA-N 0 0 409.056 4.603 50 0 HJAARN O=C(CCCCc1ccccc1)N1CCC[C@@H](CNC(=O)c2ccccc2Cl)C1 ZINC000015071067 558712697 /nfs/dbraw/zinc/71/26/97/558712697.db2.gz UICLCYWKHXOXMA-FQEVSTJZSA-N 0 0 412.961 4.721 50 0 HJAARN Cc1c([C@@H](C)NC(=O)c2c[nH]nc2-c2ccccc2F)cnn1-c1ccccc1C ZINC000015070879 558712798 /nfs/dbraw/zinc/71/27/98/558712798.db2.gz BMEQNBXOGLQCIA-OAHLLOKOSA-N 0 0 403.461 4.509 50 0 HJAARN COc1ccc(NC(=O)CCC2CCN(C(=O)CC3=CCCCC3)CC2)c(OC)c1 ZINC000015078704 558717916 /nfs/dbraw/zinc/71/79/16/558717916.db2.gz HMABHGZGJCHVHA-UHFFFAOYSA-N 0 0 414.546 4.552 50 0 HJAARN COc1cccc(-c2nc3ccc(C(=O)N(CC4CC4)C[C@@H]4CCCO4)cc3o2)c1 ZINC000015078756 558717938 /nfs/dbraw/zinc/71/79/38/558717938.db2.gz AOSRBHKLWXHPQD-FQEVSTJZSA-N 0 0 406.482 4.535 50 0 HJAARN COc1cc(NC(=O)CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(OC)c1 ZINC000015087129 558720391 /nfs/dbraw/zinc/72/03/91/558720391.db2.gz MDGOPRZOAUUGCE-UHFFFAOYSA-N 0 0 422.325 4.792 50 0 HJAARN CCSc1nnc(SCCS(=O)(=O)c2cc(Cl)ccc2Cl)s1 ZINC000029865552 558722882 /nfs/dbraw/zinc/72/28/82/558722882.db2.gz GACUOEUZBJRHEB-UHFFFAOYSA-N 0 0 415.414 4.523 50 0 HJAARN COC(=O)c1ccc([C@H]2CC(=O)Nc3c(-c4ccc(OC)c(OC)c4)csc32)cc1 ZINC000015107651 558723483 /nfs/dbraw/zinc/72/34/83/558723483.db2.gz LZYOUCIISOWJEO-MRXNPFEDSA-N 0 0 423.490 4.693 50 0 HJAARN COc1ccccc1CN(Cc1cccs1)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000030476549 558730808 /nfs/dbraw/zinc/73/08/08/558730808.db2.gz GSSDVFYQHPNOGC-UHFFFAOYSA-N 0 0 423.534 4.690 50 0 HJAARN COc1ccccc1CN(Cc1cccs1)C(=O)c1cc(Br)c[nH]1 ZINC000030476593 558730844 /nfs/dbraw/zinc/73/08/44/558730844.db2.gz LBOZLEJGZHRCOR-UHFFFAOYSA-N 0 0 405.317 4.690 50 0 HJAARN C[C@H](NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccccc1Cl ZINC000015310109 558731606 /nfs/dbraw/zinc/73/16/06/558731606.db2.gz OQIMFYMOSACETL-OXJNMPFZSA-N 0 0 414.933 4.516 50 0 HJAARN Cc1c(CCNC(=O)c2ccc(Cl)cc2)sc2nc(-c3ccc(C)cc3)nn12 ZINC000004570209 558735069 /nfs/dbraw/zinc/73/50/69/558735069.db2.gz FUTBIKCVGJORCT-UHFFFAOYSA-N 0 0 410.930 4.701 50 0 HJAARN Cc1sc2nc(C)nc(SCC(=O)NCCc3c[nH]c4ccccc34)c2c1C ZINC000011071424 558739362 /nfs/dbraw/zinc/73/93/62/558739362.db2.gz XNRLYHUNZICQJD-UHFFFAOYSA-N 0 0 410.568 4.549 50 0 HJAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cccc2c3c([nH]c21)CCCCC3 ZINC000030851454 558739926 /nfs/dbraw/zinc/73/99/26/558739926.db2.gz DDKTYEPRVGTQMZ-UHFFFAOYSA-N 0 0 403.526 4.764 50 0 HJAARN CCCc1cc(=O)[nH]c(S[C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)n1 ZINC000015587333 558745180 /nfs/dbraw/zinc/74/51/80/558745180.db2.gz LPTOPWFVIQJPPE-NRFANRHFSA-N 0 0 423.538 4.512 50 0 HJAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CCC(=O)c1ccc2ccccc2c1 ZINC000011084287 558753994 /nfs/dbraw/zinc/75/39/94/558753994.db2.gz HYGQHTRHAXLWJO-UHFFFAOYSA-N 0 0 411.505 4.706 50 0 HJAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)NCC[C@@H](O)c1ccccc1 ZINC000072303083 558755272 /nfs/dbraw/zinc/75/52/72/558755272.db2.gz HBVBRLKFBIDRTA-HSZRJFAPSA-N 0 0 414.509 4.533 50 0 HJAARN Cc1c(C)n(-c2nc3ccccc3s2)c2ncn3nc(Cc4ccccc4)nc3c12 ZINC000015842392 558756884 /nfs/dbraw/zinc/75/68/84/558756884.db2.gz NFADFSRSEZVVGG-UHFFFAOYSA-N 0 0 410.506 4.886 50 0 HJAARN Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)N2CCC(C)CC2)o1 ZINC000015860515 558758385 /nfs/dbraw/zinc/75/83/85/558758385.db2.gz LCZASQIOYWIHAU-FQEVSTJZSA-N 0 0 422.525 4.514 50 0 HJAARN Cc1ccc([C@H](CNC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)N2CCC(C)CC2)o1 ZINC000015860517 558758417 /nfs/dbraw/zinc/75/84/17/558758417.db2.gz WEZDWBWYWZHIHK-IBGZPJMESA-N 0 0 422.525 4.514 50 0 HJAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCCCC[C@H]1c1ccc(C)s1 ZINC000015866838 558758972 /nfs/dbraw/zinc/75/89/72/558758972.db2.gz QUZPCXUHHLVRNF-SFHVURJKSA-N 0 0 406.573 4.629 50 0 HJAARN CCC(=O)N1c2ccc(Cl)cc2-c2nnc(SC)nc2O[C@@H]1c1ccccc1 ZINC000032998134 558759028 /nfs/dbraw/zinc/75/90/28/558759028.db2.gz HRVODARRUJZXNF-LJQANCHMSA-N 0 0 412.902 4.748 50 0 HJAARN COc1ccc(C(=O)Nc2cc(NC(=O)c3ccccc3Cl)ccc2OC)cc1 ZINC000032998336 558759246 /nfs/dbraw/zinc/75/92/46/558759246.db2.gz ILFDSSLIKHTNBR-UHFFFAOYSA-N 0 0 410.857 4.862 50 0 HJAARN CCOc1ccc(C(=O)Nc2ccc(OC)c(NC(=O)c3ccc(OC)cc3)c2)cc1 ZINC000032998328 558759260 /nfs/dbraw/zinc/75/92/60/558759260.db2.gz JXUWWCCUBHVHSZ-UHFFFAOYSA-N 0 0 420.465 4.607 50 0 HJAARN Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-n1cccc1 ZINC000015881934 558760642 /nfs/dbraw/zinc/76/06/42/558760642.db2.gz JFBRSFFRRNGLKC-UHFFFAOYSA-N 0 0 423.929 4.751 50 0 HJAARN O=C(CSc1nnc(-c2cccs2)n1-n1cccc1)Nc1cccc(Cl)c1 ZINC000015882513 558760913 /nfs/dbraw/zinc/76/09/13/558760913.db2.gz VQHYRGUKUSEPIJ-UHFFFAOYSA-N 0 0 415.931 4.504 50 0 HJAARN Fc1ccc(-c2cc3c(N4CCN(c5ccc(Cl)cc5)CC4)nccn3n2)cc1 ZINC000033266298 558763172 /nfs/dbraw/zinc/76/31/72/558763172.db2.gz BHZLLCSRWFXFKA-UHFFFAOYSA-N 0 0 407.880 4.515 50 0 HJAARN CCOc1ccc(NC(=O)[C@H]2CCCN(c3ncnc4c5ccccc5oc43)C2)cc1 ZINC000033290466 558765108 /nfs/dbraw/zinc/76/51/08/558765108.db2.gz GKOIPXKCPGJBSG-INIZCTEOSA-N 0 0 416.481 4.630 50 0 HJAARN Cc1cc(C(=O)CN(C)Cc2cnccn2)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000072308264 558769819 /nfs/dbraw/zinc/76/98/19/558769819.db2.gz ROAFYVVLFGQWTE-UHFFFAOYSA-N 0 0 424.548 4.847 50 0 HJAARN C[C@@H](NC(=O)c1ccccc1Cl)c1cc2c(cc1Br)OCCCO2 ZINC000033870953 558771922 /nfs/dbraw/zinc/77/19/22/558771922.db2.gz LXSUAUZEEUZGDD-LLVKDONJSA-N 0 0 410.695 4.755 50 0 HJAARN COc1ccc(OC)c(CNC(=O)c2sc(Nc3ccc(C)cc3C)nc2C)c1 ZINC000071326610 558773680 /nfs/dbraw/zinc/77/36/80/558773680.db2.gz RXLWVSYOARYOGU-UHFFFAOYSA-N 0 0 411.527 4.759 50 0 HJAARN Nc1c(C(=O)Nc2ccccc2F)c2ccccn2c1C(=O)c1ccc(Cl)cc1 ZINC000004585246 558775729 /nfs/dbraw/zinc/77/57/29/558775729.db2.gz GBLJRMXHEIAENK-UHFFFAOYSA-N 0 0 407.832 4.797 50 0 HJAARN Cc1cccc(N[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)c1 ZINC000001170760 558775832 /nfs/dbraw/zinc/77/58/32/558775832.db2.gz AGPCCCMPXTUUBQ-NRFANRHFSA-N 0 0 400.931 4.780 50 0 HJAARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)c1cccc(Cl)c1 ZINC000004585443 558776338 /nfs/dbraw/zinc/77/63/38/558776338.db2.gz LGVQZJDPJIVRIZ-UHFFFAOYSA-N 0 0 403.869 4.908 50 0 HJAARN COC(=O)c1ccc(CSc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 ZINC000016194188 558777558 /nfs/dbraw/zinc/77/75/58/558777558.db2.gz JNUYZQBPSOSJDD-UHFFFAOYSA-N 0 0 409.488 4.995 50 0 HJAARN Cc1nc2nc(-c3ccc(C(C)(C)C)cc3)nn2c(C)c1CC(=O)N1CCC(C)CC1 ZINC000035477091 558792637 /nfs/dbraw/zinc/79/26/37/558792637.db2.gz FYHCKNUHMRVIEL-UHFFFAOYSA-N 0 0 419.573 4.507 50 0 HJAARN O=C(CN1CCN(c2ccccc2)CC1)N1c2ccccc2Sc2ccccc21 ZINC000035610494 558794151 /nfs/dbraw/zinc/79/41/51/558794151.db2.gz NQSCRHLKEUFXKM-UHFFFAOYSA-N 0 0 401.535 4.638 50 0 HJAARN COc1ccc(-c2nc3ccc(C)cn3c2Nc2ccc3c(c2)OCO3)cc1OC ZINC000035615859 558794460 /nfs/dbraw/zinc/79/44/60/558794460.db2.gz UWLBBUFPZLOFGP-UHFFFAOYSA-N 0 0 403.438 4.799 50 0 HJAARN COC(=O)c1ccc(-c2nc3ccc(C)cn3c2Nc2ccc(OC)c(OC)c2)cc1 ZINC000035616461 558794717 /nfs/dbraw/zinc/79/47/17/558794717.db2.gz QIZXFWCNTVJFDB-UHFFFAOYSA-N 0 0 417.465 4.857 50 0 HJAARN CC[C@@H](C)N(Cc1ccc(OS(C)(=O)=O)cc1)C(=O)c1cccc2ccccc21 ZINC000035776449 558795071 /nfs/dbraw/zinc/79/50/71/558795071.db2.gz IJXMMVHTFUDNBM-QGZVFWFLSA-N 0 0 411.523 4.619 50 0 HJAARN O=C(CN(Cc1cc(F)cc(F)c1)C1CC1)N1CCS[C@@H]1c1ccccc1Cl ZINC000035843649 558795421 /nfs/dbraw/zinc/79/54/21/558795421.db2.gz NDKTWVDWIFPSQJ-OAQYLSRUSA-N 0 0 422.928 4.857 50 0 HJAARN CCC(=O)N(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1 ZINC000035976954 558796224 /nfs/dbraw/zinc/79/62/24/558796224.db2.gz HATTUGJQTNZXGN-UHFFFAOYSA-N 0 0 407.514 4.666 50 0 HJAARN COc1ccccc1CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000036246536 558798486 /nfs/dbraw/zinc/79/84/86/558798486.db2.gz YOHUULPMXNWXHI-UHFFFAOYSA-N 0 0 405.878 4.883 50 0 HJAARN COc1ccc(S(=O)(=O)N(c2cccc(C)c2)[C@@H](C)c2ccccc2OC)cc1 ZINC000036248023 558798627 /nfs/dbraw/zinc/79/86/27/558798627.db2.gz JMMAJCFSUMXRGN-SFHVURJKSA-N 0 0 411.523 4.969 50 0 HJAARN COc1cccc(S(=O)(=O)N(Cc2ccc(F)cc2F)c2ccc(F)cc2)c1 ZINC000036248170 558798636 /nfs/dbraw/zinc/79/86/36/558798636.db2.gz GAMILKPVJPYXNF-UHFFFAOYSA-N 0 0 407.413 4.508 50 0 HJAARN COc1ccc(N([C@@H](C)c2ccc(C)cc2)S(=O)(=O)c2cccc(OC)c2)cc1 ZINC000036248620 558798801 /nfs/dbraw/zinc/79/88/01/558798801.db2.gz PBSDTOPNWIONRL-SFHVURJKSA-N 0 0 411.523 4.969 50 0 HJAARN COP(=O)(OC)c1nc(Cc2ccc(Cl)cc2)oc1NCCc1ccccc1 ZINC000016750247 558804591 /nfs/dbraw/zinc/80/45/91/558804591.db2.gz LDNBAEBPHGSBAA-UHFFFAOYSA-N 0 0 420.833 4.685 50 0 HJAARN CCOP(=O)(OCC)c1nc(-c2ccccc2)oc1NCc1ccc(F)cc1 ZINC000016751571 558804850 /nfs/dbraw/zinc/80/48/50/558804850.db2.gz KGQIPSDEKPBOQA-UHFFFAOYSA-N 0 0 404.378 4.984 50 0 HJAARN COc1ccccc1CNC(=O)COc1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000032985880 558806218 /nfs/dbraw/zinc/80/62/18/558806218.db2.gz ZZVPCPWYZORPLF-UHFFFAOYSA-N 0 0 412.489 4.914 50 0 HJAARN Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000032988923 558808371 /nfs/dbraw/zinc/80/83/71/558808371.db2.gz DTYSSMCNKZHZNU-QHCPKHFHSA-N 0 0 404.535 4.926 50 0 HJAARN COCCCNc1nc2c(cnn2-c2ccccc2)c(Nc2ccc(Cl)cc2)n1 ZINC000016942576 558809467 /nfs/dbraw/zinc/80/94/67/558809467.db2.gz XDCQMHOTOUGBOS-UHFFFAOYSA-N 0 0 408.893 4.661 50 0 HJAARN Cc1ccc(-c2csc3c2ncn(CC(=O)Nc2cccc(Cl)c2)c3=O)cc1 ZINC000038651683 558813323 /nfs/dbraw/zinc/81/33/23/558813323.db2.gz VJJYNKUPIKTMRA-UHFFFAOYSA-N 0 0 409.898 4.726 50 0 HJAARN Cc1ccc(-c2csc3c2ncn(CC(=O)Nc2c(C)cc(C)cc2C)c3=O)cc1 ZINC000038651719 558813347 /nfs/dbraw/zinc/81/33/47/558813347.db2.gz GBVJCBNQYHRWOP-UHFFFAOYSA-N 0 0 417.534 4.997 50 0 HJAARN C[C@]12CC3CC(C(=O)N4CCN(Cc5cccc(Cl)c5)CC4)(C1)C[C@@](C)(C3)C2 ZINC000017082116 558814075 /nfs/dbraw/zinc/81/40/75/558814075.db2.gz KDLXEHZHJJWOSJ-ZPKAHVHTSA-N 0 0 400.994 4.981 50 0 HJAARN CCOc1ccc(NC(=O)CSc2nccn3nc(-c4ccccc4)cc23)cc1 ZINC000017307863 558826810 /nfs/dbraw/zinc/82/68/10/558826810.db2.gz MTCJGDCZPMSOIY-UHFFFAOYSA-N 0 0 404.495 4.526 50 0 HJAARN COc1ccccc1NC(=O)Cc1csc(-n2nc(C)c(CCC(C)C)c2C)n1 ZINC000033004593 558827319 /nfs/dbraw/zinc/82/73/19/558827319.db2.gz ZDLOWAZKPWXULI-UHFFFAOYSA-N 0 0 412.559 4.724 50 0 HJAARN CCC(=O)Nc1nc2c(cc(NC(=O)Nc3cc(OC)cc(OC)c3)cc2C)s1 ZINC000033008319 558829030 /nfs/dbraw/zinc/82/90/30/558829030.db2.gz WQYAWUZAUWONEL-UHFFFAOYSA-N 0 0 414.487 4.614 50 0 HJAARN O=C(Nc1ccccc1C(F)(F)F)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 ZINC000017987736 558829217 /nfs/dbraw/zinc/82/92/17/558829217.db2.gz LQOPOFPJRSVIOF-HZPDHXFCSA-N 0 0 416.399 4.637 50 0 HJAARN Cc1ccc(CNC(=O)c2cccc(Nc3cc(-c4ccc(F)cc4)ncn3)c2)o1 ZINC000033010515 558829738 /nfs/dbraw/zinc/82/97/38/558829738.db2.gz ABHRBYGLEFJTPZ-UHFFFAOYSA-N 0 0 402.429 4.858 50 0 HJAARN Cc1ccc(NC(=O)C2=C(c3ccccc3)NC(=S)N[C@@H]2c2ccc(F)cc2)cc1 ZINC000018093853 558830964 /nfs/dbraw/zinc/83/09/64/558830964.db2.gz GADWBGIFKRVVDO-JOCHJYFZSA-N 0 0 417.509 4.703 50 0 HJAARN COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Br)c(C)nn21 ZINC000013645748 558831449 /nfs/dbraw/zinc/83/14/49/558831449.db2.gz HYUSSPYRCKHYLY-UHFFFAOYSA-N 0 0 415.074 4.561 50 0 HJAARN O=C1C[C@H](N2CCC(Cc3ccccc3)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000018122471 558831579 /nfs/dbraw/zinc/83/15/79/558831579.db2.gz DIYTZBFIDBBZGQ-FQEVSTJZSA-N 0 0 417.336 4.580 50 0 HJAARN CCC[C@@H](C)n1[nH]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(Br)cc1 ZINC000018128293 558831786 /nfs/dbraw/zinc/83/17/86/558831786.db2.gz LITJDAMZUQFAPD-MEBBXXQBSA-N 0 0 410.337 4.724 50 0 HJAARN COc1ccc(NC(=O)COc2cccc(-c3nc(-c4ccc(C)cc4)no3)c2)cc1 ZINC000033012353 558832198 /nfs/dbraw/zinc/83/21/98/558832198.db2.gz SRIVIFBIIFUFIO-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN CCc1cccc(CC)c1NC(=O)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 ZINC000018148912 558832315 /nfs/dbraw/zinc/83/23/15/558832315.db2.gz PLQJMFHKHHNQDD-NHCUHLMSSA-N 0 0 404.510 4.743 50 0 HJAARN COc1cc(CNc2ccc(CNc3nc[nH]n3)cc2)ccc1OCc1ccccc1 ZINC000018173142 558832571 /nfs/dbraw/zinc/83/25/71/558832571.db2.gz RUVLVBOFYAGATG-UHFFFAOYSA-N 0 0 415.497 4.617 50 0 HJAARN Cc1ccc(-c2noc(COc3ccccc3C(=O)Nc3cccc(C)n3)n2)cc1 ZINC000033012950 558832736 /nfs/dbraw/zinc/83/27/36/558832736.db2.gz GEVXDAZDKLPRBE-UHFFFAOYSA-N 0 0 400.438 4.580 50 0 HJAARN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2)n1)c1ccc(Br)cc1 ZINC000018180304 558832808 /nfs/dbraw/zinc/83/28/08/558832808.db2.gz VNBRVQLKQIYSSW-UHFFFAOYSA-N 0 0 408.708 4.863 50 0 HJAARN Cc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2cccc(C)c2)cc1 ZINC000004598180 558834088 /nfs/dbraw/zinc/83/40/88/558834088.db2.gz DJSKYQPUXIAQJE-FVDSYPCUSA-N 0 0 413.477 4.730 50 0 HJAARN Cc1ccc2nc(Nc3nc(C)c(Cc4ccccc4Cl)c(=O)[nH]3)nc(C)c2c1 ZINC000018222497 558834145 /nfs/dbraw/zinc/83/41/45/558834145.db2.gz NDVYBHKYQGSBNK-UHFFFAOYSA-N 0 0 405.889 4.626 50 0 HJAARN Cc1ccc(-n2c(=O)c3c4c(sc3[nH]c2=S)CN(Cc2ccccc2)CC4)cc1 ZINC000018284204 558835362 /nfs/dbraw/zinc/83/53/62/558835362.db2.gz VEHRVMOQEXMZCT-UHFFFAOYSA-N 0 0 419.575 4.977 50 0 HJAARN CCOC(=O)c1c(-c2ccc(C)o2)csc1NC=C1C(=O)CC(C)(C)CC1=O ZINC000001107322 558836117 /nfs/dbraw/zinc/83/61/17/558836117.db2.gz KTSJQZFKFKLMIW-UHFFFAOYSA-N 0 0 401.484 4.747 50 0 HJAARN CCOc1nc2c(c(C)nn2-c2ccccc2C)c(C)c1CCC(=O)NC1CCCC1 ZINC000046006066 558838769 /nfs/dbraw/zinc/83/87/69/558838769.db2.gz VNNKLHPDGNJLEN-UHFFFAOYSA-N 0 0 420.557 4.736 50 0 HJAARN COc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)N1CCCCCC1 ZINC000046006755 558838896 /nfs/dbraw/zinc/83/88/96/558838896.db2.gz ZSBGZKCVKCCWQB-UHFFFAOYSA-N 0 0 424.520 4.520 50 0 HJAARN O=C(NCCc1nc2cccnc2n1C1CCCC1)Nc1cccc(C(F)(F)F)c1 ZINC000033025539 558846226 /nfs/dbraw/zinc/84/62/26/558846226.db2.gz KXQSSLMXCRTHTK-UHFFFAOYSA-N 0 0 417.435 4.929 50 0 HJAARN Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NC4CCCCC4)c3n2)cc1 ZINC000004602862 558846408 /nfs/dbraw/zinc/84/64/08/558846408.db2.gz FXZCDGJLEQURAX-UHFFFAOYSA-N 0 0 402.420 4.786 50 0 HJAARN COc1ccc(Cc2nc3ccccc3n2C[C@H](O)COc2cc(C)cc(C)c2)cc1 ZINC000033025756 558846601 /nfs/dbraw/zinc/84/66/01/558846601.db2.gz PDGGWSLKNGQIDS-NRFANRHFSA-N 0 0 416.521 4.692 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)CCCn1c(=O)c2cccn2c2ccc(F)cc21 ZINC000033031637 558854804 /nfs/dbraw/zinc/85/48/04/558854804.db2.gz SPGDGXJPTUMOIK-UHFFFAOYSA-N 0 0 411.864 4.774 50 0 HJAARN Cc1cc(Cl)ccc1NC(=O)CCCn1c(=O)c2cccn2c2ccc(F)cc21 ZINC000033031611 558855023 /nfs/dbraw/zinc/85/50/23/558855023.db2.gz HOGJVCJPMJZFLE-UHFFFAOYSA-N 0 0 411.864 4.774 50 0 HJAARN O=C(CCCn1nc(-c2cccs2)ccc1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000013698630 558857031 /nfs/dbraw/zinc/85/70/31/558857031.db2.gz QRTIXTQNRATCNE-UHFFFAOYSA-N 0 0 408.310 4.698 50 0 HJAARN CCn1nc(C(=O)N(C[C@H]2CCCO2)c2nc3c(ccc(Cl)c3C)s2)cc1C ZINC000013703659 558857605 /nfs/dbraw/zinc/85/76/05/558857605.db2.gz ZYHSKIWTINUDMC-CQSZACIVSA-N 0 0 418.950 4.609 50 0 HJAARN Cc1ccc(C)n1-c1cccnc1N1CCC(C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000033034462 558858516 /nfs/dbraw/zinc/85/85/16/558858516.db2.gz QKKBNLBRXHDDFJ-UHFFFAOYSA-N 0 0 422.960 4.675 50 0 HJAARN CCc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)NC4CCCC4)c3)C2)cc1 ZINC000033034813 558858857 /nfs/dbraw/zinc/85/88/57/558858857.db2.gz SMXHTJUXBPFELA-QHCPKHFHSA-N 0 0 404.554 4.941 50 0 HJAARN CCOc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)N4CCCC4)c3)C2)cc1 ZINC000033035113 558859208 /nfs/dbraw/zinc/85/92/08/558859208.db2.gz PGZMYYASTKBYBR-OAQYLSRUSA-N 0 0 421.541 4.733 50 0 HJAARN CCn1nc(Br)nc1Sc1ccccc1NC(=O)c1ccc(F)cc1 ZINC000033036378 558859533 /nfs/dbraw/zinc/85/95/33/558859533.db2.gz CIPIBVLFTWOGCF-UHFFFAOYSA-N 0 0 421.295 4.603 50 0 HJAARN C[C@@H](c1ccccc1)N1CCn2c(nc3cc(NC(=O)c4cccs4)ccc32)C1 ZINC000052671671 558860616 /nfs/dbraw/zinc/86/06/16/558860616.db2.gz HXQGZRIPOTUXCY-INIZCTEOSA-N 0 0 402.523 4.927 50 0 HJAARN CCOc1nc2ccccc2nc1N1CCC(C(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000033088313 558870002 /nfs/dbraw/zinc/87/00/02/558870002.db2.gz WMRQCIKUNVELIL-UHFFFAOYSA-N 0 0 424.932 4.845 50 0 HJAARN CN1c2ccc(C(=O)Nc3cccc4ccccc43)cc2-c2ccccc2S1(=O)=O ZINC000033088649 558871633 /nfs/dbraw/zinc/87/16/33/558871633.db2.gz USOYZFXBZRVNAM-UHFFFAOYSA-N 0 0 414.486 4.898 50 0 HJAARN Cc1cccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@H]3C)c1C ZINC000033089184 558871938 /nfs/dbraw/zinc/87/19/38/558871938.db2.gz FHEOWMDIUJMSGC-GFCCVEGCSA-N 0 0 411.299 4.750 50 0 HJAARN COc1ccc(CN(Cc2cccc(F)c2)C(=O)c2ccc3cccnc3n2)cc1 ZINC000055120579 558873239 /nfs/dbraw/zinc/87/32/39/558873239.db2.gz IZVBINANWLQNKK-UHFFFAOYSA-N 0 0 401.441 4.620 50 0 HJAARN C[C@H](NC(=O)CC1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1)c1ccccc1 ZINC000033113912 558875670 /nfs/dbraw/zinc/87/56/70/558875670.db2.gz QAXVVYFDIXEMCF-INIZCTEOSA-N 0 0 423.944 4.941 50 0 HJAARN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)OCCC)cc2)cc1 ZINC000004663756 558876078 /nfs/dbraw/zinc/87/60/78/558876078.db2.gz XCVNPRFYSUEEJF-UHFFFAOYSA-N 0 0 414.527 4.559 50 0 HJAARN CCn1c(CCc2ccccc2NS(=O)(=O)c2ccccc2)nc2ccccc21 ZINC000033116512 558877676 /nfs/dbraw/zinc/87/76/76/558877676.db2.gz YMWKFEAIPCMITH-UHFFFAOYSA-N 0 0 405.523 4.642 50 0 HJAARN O=C(Cc1c2ccccc2[nH]c1Sc1ccc(Cl)cc1)NC[C@@H]1CCCO1 ZINC000033116239 558877698 /nfs/dbraw/zinc/87/76/98/558877698.db2.gz OMDUGAAVAABALJ-HNNXBMFYSA-N 0 0 400.931 4.810 50 0 HJAARN CC(=O)c1ccc(N2CCN(Cc3nc(-c4ccc(Cl)cc4)oc3C)CC2)cc1 ZINC000055307256 558878841 /nfs/dbraw/zinc/87/88/41/558878841.db2.gz PTFFWMGTQVZPOV-UHFFFAOYSA-N 0 0 409.917 4.828 50 0 HJAARN Cc1c([C@H](C)NCc2cnc(-c3ccccc3C)nc2)cnn1-c1cccc(F)c1 ZINC000055343090 558879723 /nfs/dbraw/zinc/87/97/23/558879723.db2.gz MIGOMXHXKUFBTM-KRWDZBQOSA-N 0 0 401.489 4.936 50 0 HJAARN CCCOc1c2cc(NC(=O)COc3cccc(C)c3)ccc2sc1C(=O)OC ZINC000033123487 558879818 /nfs/dbraw/zinc/87/98/18/558879818.db2.gz INWHICDXNLEZFR-UHFFFAOYSA-N 0 0 413.495 4.803 50 0 HJAARN O=C(Nc1ccccc1Cl)N[C@H](Cc1ccccc1)C(=O)N1CCc2ccccc21 ZINC000033127934 558881189 /nfs/dbraw/zinc/88/11/89/558881189.db2.gz FKNNUZPCZSLDSC-OAQYLSRUSA-N 0 0 419.912 4.662 50 0 HJAARN CC(C)c1ccccc1NC(=O)CCC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000055575472 558883240 /nfs/dbraw/zinc/88/32/40/558883240.db2.gz NZWCOHBLIPTFKC-NRFANRHFSA-N 0 0 404.514 4.769 50 0 HJAARN Cc1oc(-c2ccccc2)nc1CN1CCN(C(=O)Nc2cccc(C)c2C)CC1 ZINC000033048061 558884083 /nfs/dbraw/zinc/88/40/83/558884083.db2.gz IMLCPFYMPBIVMJ-UHFFFAOYSA-N 0 0 404.514 4.617 50 0 HJAARN C[C@H]1CCCC[C@@H]1NC(=O)CNC(=S)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000004672527 558884591 /nfs/dbraw/zinc/88/45/91/558884591.db2.gz KDEDZFKMPLGYIV-UWJYYQICSA-N 0 0 419.610 4.530 50 0 HJAARN COc1ccc(OC)c(NC(=O)Nc2c(=O)oc3ccccc3c2NC2CCCC2)c1 ZINC000096315519 558884894 /nfs/dbraw/zinc/88/48/94/558884894.db2.gz UJFGCLCTKVUARA-UHFFFAOYSA-N 0 0 423.469 4.809 50 0 HJAARN CCCCOc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2C2CCCC2)cc1 ZINC000004673074 558884975 /nfs/dbraw/zinc/88/49/75/558884975.db2.gz IQXLNFPNHHOGNF-DEOSSOPVSA-N 0 0 412.574 4.853 50 0 HJAARN O=C(Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21)NC1CCCCCC1 ZINC000033048923 558886409 /nfs/dbraw/zinc/88/64/09/558886409.db2.gz WHLJFEILZPGYHV-UHFFFAOYSA-N 0 0 409.917 4.556 50 0 HJAARN COc1ccc(CNC(=O)c2ccc(-c3ccc(Oc4ccccc4)nn3)cc2)cc1 ZINC000033130965 558887517 /nfs/dbraw/zinc/88/75/17/558887517.db2.gz XHUUCTKDHNQONR-UHFFFAOYSA-N 0 0 411.461 4.875 50 0 biogenic HJAARN O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc2ccccc2c1 ZINC000057291793 558888011 /nfs/dbraw/zinc/88/80/11/558888011.db2.gz RFXGDVGAXFBBQE-UHFFFAOYSA-N 0 0 413.443 4.619 50 0 HJAARN O=C1Nc2c(cccc2C(F)(F)F)[C@@]12Nc1ccccc1-c1nc3ccccc3n12 ZINC000004625913 558889925 /nfs/dbraw/zinc/88/99/25/558889925.db2.gz LBGJYVCNBVTCJE-NRFANRHFSA-N 0 0 406.367 4.801 50 0 HJAARN Cc1ccsc1[C@@H]1NC(=S)NC(C)=C1C(=O)Nc1ccccc1C(F)(F)F ZINC000013879042 558889933 /nfs/dbraw/zinc/88/99/33/558889933.db2.gz ITKQMDBARQDCEF-CQSZACIVSA-N 0 0 411.474 4.507 50 0 HJAARN CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccccc1C ZINC000004679831 558890846 /nfs/dbraw/zinc/89/08/46/558890846.db2.gz QQEXLNWWSFGGEI-UHFFFAOYSA-N 0 0 400.935 4.966 50 0 HJAARN Cc1cc2n(n1)[C@@H](c1ccccc1)C(C(=O)Nc1ccc(Br)cc1)=C(C)N2 ZINC000072332702 558893055 /nfs/dbraw/zinc/89/30/55/558893055.db2.gz DTGHBSQGMFEQJE-FQEVSTJZSA-N 0 0 423.314 4.882 50 0 HJAARN COc1cc(Cl)ccc1C(=O)Nc1ccc(-n2c(C)nc3ccccc3c2=O)cc1 ZINC000033141902 558893068 /nfs/dbraw/zinc/89/30/68/558893068.db2.gz LLQDDUANMMYEMQ-UHFFFAOYSA-N 0 0 419.868 4.608 50 0 HJAARN Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)NCCC2=CCCCC2)cc1 ZINC000033141726 558893457 /nfs/dbraw/zinc/89/34/57/558893457.db2.gz WKWGAPHNDVKKFX-UHFFFAOYSA-N 0 0 418.584 4.502 50 0 HJAARN Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000033141793 558893498 /nfs/dbraw/zinc/89/34/98/558893498.db2.gz NAFWNIACWPRGAR-UHFFFAOYSA-N 0 0 414.552 4.751 50 0 HJAARN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(C(=O)OCCC)cc2)c1 ZINC000004682346 558894288 /nfs/dbraw/zinc/89/42/88/558894288.db2.gz SQARUAODWGAQCZ-UHFFFAOYSA-N 0 0 414.527 4.559 50 0 HJAARN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(Br)cc1 ZINC000004684693 558895301 /nfs/dbraw/zinc/89/53/01/558895301.db2.gz VOILQDIITWSYKB-SFHVURJKSA-N 0 0 412.287 4.651 50 0 HJAARN CC(C)[C@H](OC[C@@H]1CCCO1)C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000058029567 558896295 /nfs/dbraw/zinc/89/62/95/558896295.db2.gz SWUFIEQSZKXKRR-DVUSVXRNSA-N 0 0 419.565 4.620 50 0 HJAARN CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2I)cc1 ZINC000004689065 558899204 /nfs/dbraw/zinc/89/92/04/558899204.db2.gz XUEZKZDUCMDSFL-UHFFFAOYSA-N 0 0 409.267 4.606 50 0 HJAARN Cc1ccc(NC(=O)[C@H]2CCCN(c3ncnc4c5ccccc5oc43)C2)cc1C ZINC000033169570 558902926 /nfs/dbraw/zinc/90/29/26/558902926.db2.gz AVRLEJXBRIYORF-KRWDZBQOSA-N 0 0 400.482 4.848 50 0 HJAARN CC(C)OCCCNC(=O)C[C@H](C)CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000004690561 558904584 /nfs/dbraw/zinc/90/45/84/558904584.db2.gz LHSNMAFCKXTBGY-IBGZPJMESA-N 0 0 412.530 4.765 50 0 HJAARN O=C(N[C@@H]1CCCS(=O)(=O)c2ccccc21)c1ccccc1CCc1ccccc1 ZINC000058159629 558904644 /nfs/dbraw/zinc/90/46/44/558904644.db2.gz BMHUTEQVLSFHIR-HSZRJFAPSA-N 0 0 419.546 4.510 50 0 HJAARN CC1(C)Cc2nc3sc4c(ncn(Cc5ccccc5Cl)c4=O)c3cc2CO1 ZINC000004694743 558905414 /nfs/dbraw/zinc/90/54/14/558905414.db2.gz YHCUXQURDCVPRG-UHFFFAOYSA-N 0 0 411.914 4.559 50 0 HJAARN O=C(c1ccc(-c2ccccc2CO)nc1)N1CCC(CCc2ccccc2)CC1 ZINC000071615281 558906113 /nfs/dbraw/zinc/90/61/13/558906113.db2.gz TWKIPCQRVIFOAY-UHFFFAOYSA-N 0 0 400.522 4.726 50 0 HJAARN Cn1c2ccccc2c2cc([C@H]3CC(=O)Oc4c5ccccc5n(C)c(=O)c43)ccc21 ZINC000004698292 558906525 /nfs/dbraw/zinc/90/65/25/558906525.db2.gz PDWNLFPSBVFDAZ-GOSISDBHSA-N 0 0 408.457 4.624 50 0 HJAARN O=C1CN(C(=S)NCc2ccccc2)[C@H](c2ccccc2)c2cc(Cl)ccc2N1 ZINC000058196696 558910925 /nfs/dbraw/zinc/91/09/25/558910925.db2.gz HMEMKOUCCFKESH-JOCHJYFZSA-N 0 0 421.953 4.758 50 0 HJAARN CC(C)CCN(C(=O)Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1)C1CC1 ZINC000058202265 558911552 /nfs/dbraw/zinc/91/15/52/558911552.db2.gz XIXAKRPLCASALT-UHFFFAOYSA-N 0 0 414.937 4.707 50 0 HJAARN O=C(Nc1ccccc1)c1ccc(Cl)c(NC(=O)N(C[C@H]2CCOC2)C2CC2)c1 ZINC000058203148 558911605 /nfs/dbraw/zinc/91/16/05/558911605.db2.gz ZVZZMLYJTJUDRF-OAHLLOKOSA-N 0 0 413.905 4.625 50 0 HJAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CC(=O)Nc1ccc(C)cc1 ZINC000004702688 558912778 /nfs/dbraw/zinc/91/27/78/558912778.db2.gz NEIUMEZAYTZSFU-VWLOTQADSA-N 0 0 409.489 4.969 50 0 HJAARN COc1ccc([C@@H]2CCCN2Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)cc1 ZINC000019534534 558913528 /nfs/dbraw/zinc/91/35/28/558913528.db2.gz PHTXOQLVYPXDRM-FQEVSTJZSA-N 0 0 417.534 4.997 50 0 HJAARN C[C@H](NS(=O)(=O)Cc1cccc(C(F)(F)F)c1)c1cccc(Br)c1 ZINC000058225833 558913718 /nfs/dbraw/zinc/91/37/18/558913718.db2.gz FGWOUUREGYAIFG-NSHDSACASA-N 0 0 422.266 4.649 50 0 HJAARN COc1ccc(N(C)C(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)cn1 ZINC000058270653 558916124 /nfs/dbraw/zinc/91/61/24/558916124.db2.gz PNPXOVKXIMCKRK-UHFFFAOYSA-N 0 0 418.884 4.873 50 0 HJAARN Cc1ccccc1-c1cc(NC(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)on1 ZINC000058279375 558916262 /nfs/dbraw/zinc/91/62/62/558916262.db2.gz SWFGNHHYWLPHHL-INIZCTEOSA-N 0 0 401.470 4.938 50 0 HJAARN CCN(CC)C(=O)c1cnc2ccccc2c1S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000033249449 558916364 /nfs/dbraw/zinc/91/63/64/558916364.db2.gz KDZWNWICUMQDHT-UHFFFAOYSA-N 0 0 410.539 4.673 50 0 HJAARN COc1ccc2cc([C@H](C)C(=O)Nc3cccc(N4C(=O)NC[C@H]4C)c3)ccc2c1 ZINC000058305313 558917932 /nfs/dbraw/zinc/91/79/32/558917932.db2.gz VSBRGKMEXKDPDO-CVEARBPZSA-N 0 0 403.482 4.509 50 0 HJAARN COc1cn(-c2ccccc2)nc1C(=O)N(C)c1ccc(Br)cc1Cl ZINC000058305709 558918327 /nfs/dbraw/zinc/91/83/27/558918327.db2.gz OYBMORFFCGMABE-UHFFFAOYSA-N 0 0 420.694 4.573 50 0 HJAARN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cnc(-c2cccc(O)c2)nc1 ZINC000058310703 558918896 /nfs/dbraw/zinc/91/88/96/558918896.db2.gz FWHQGQYDLUVHPE-NSHDSACASA-N 0 0 404.253 4.562 50 0 HJAARN C[C@@H]1Cc2ccccc2N1c1ccc2cc(S(=O)(=O)N3CCC(C)CC3)ccc2n1 ZINC000033250485 558919176 /nfs/dbraw/zinc/91/91/76/558919176.db2.gz GAILTPXXHLUEOW-GOSISDBHSA-N 0 0 421.566 4.738 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)CSCc1nc(-c2ccc(Cl)cc2)no1 ZINC000033250386 558919215 /nfs/dbraw/zinc/91/92/15/558919215.db2.gz JFWSTWIPBDILBJ-UHFFFAOYSA-N 0 0 424.309 4.924 50 0 HJAARN COc1ccc(Nc2ccc3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc3n2)cc1 ZINC000033250502 558919350 /nfs/dbraw/zinc/91/93/50/558919350.db2.gz BZHBONXEDGCTDL-INIZCTEOSA-N 0 0 411.527 4.550 50 0 HJAARN O=C(NCc1ccc2c(c1)OCCO2)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000058324619 558919579 /nfs/dbraw/zinc/91/95/79/558919579.db2.gz QTGWERUJKFJDEB-ADXLDGDMSA-N 0 0 403.522 4.612 50 0 HJAARN Cc1ccc(CNC(=O)c2[nH]c3ccc(F)cc3c2NC(=O)c2ccccc2)cc1 ZINC000033252528 558920803 /nfs/dbraw/zinc/92/08/03/558920803.db2.gz XKHJVXRZXDMERZ-UHFFFAOYSA-N 0 0 401.441 4.798 50 0 HJAARN C[C@]1(C(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccccc2F)CC1(Cl)Cl ZINC000058367901 558922457 /nfs/dbraw/zinc/92/24/57/558922457.db2.gz WMLCTOIZUWIOSN-YLJYHZDGSA-N 0 0 421.299 4.696 50 0 HJAARN Cc1noc(CCCC(=O)NC2(Cc3ccc(Br)cc3)CCCCC2)n1 ZINC000058377563 558922733 /nfs/dbraw/zinc/92/27/33/558922733.db2.gz HICDYOURESTXIQ-UHFFFAOYSA-N 0 0 420.351 4.525 50 0 HJAARN O=C1C[C@@H](c2nc(-c3ccc(N4CCCC4)cc3)no2)CN1c1cccc(Cl)c1 ZINC000033255312 558923351 /nfs/dbraw/zinc/92/33/51/558923351.db2.gz ZIPMLQPIAZDEMG-MRXNPFEDSA-N 0 0 408.889 4.511 50 0 HJAARN Cc1ccc(N2C[C@@H](c3nc(-c4ccc(N5CCC(C)CC5)cc4)no3)CC2=O)cc1 ZINC000033255390 558923390 /nfs/dbraw/zinc/92/33/90/558923390.db2.gz PIVNYEWZELXYJY-FQEVSTJZSA-N 0 0 416.525 4.802 50 0 HJAARN Cc1cccc(-c2noc(-c3cn(C)c4cc(N5CCCCC5)c(F)cc4c3=O)n2)c1 ZINC000033255925 558923502 /nfs/dbraw/zinc/92/35/02/558923502.db2.gz STZDWCCUFQWYBC-UHFFFAOYSA-N 0 0 418.472 4.693 50 0 HJAARN CCc1nc(-c2ccc(-n3cc(C(=O)Nc4ccc(C)c(C)c4)c(C)n3)cc2)no1 ZINC000033258536 558925379 /nfs/dbraw/zinc/92/53/79/558925379.db2.gz VJYWHZXGUCHRMF-UHFFFAOYSA-N 0 0 401.470 4.662 50 0 HJAARN COc1ccccc1N1CCN([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000058447250 558927803 /nfs/dbraw/zinc/92/78/03/558927803.db2.gz CIXYVUJNRJDNJF-FQEVSTJZSA-N 0 0 415.537 4.511 50 0 HJAARN COc1cccc(CNC(=O)c2cccc(Nc3cc(-c4ccccc4)ncn3)c2)c1 ZINC000033261128 558928135 /nfs/dbraw/zinc/92/81/35/558928135.db2.gz DHVHOUOCHDJGED-UHFFFAOYSA-N 0 0 410.477 4.826 50 0 HJAARN COc1ccc(-c2noc(CSc3ccc(-c4ccccc4)nn3)n2)c(OC)c1 ZINC000033262432 558931270 /nfs/dbraw/zinc/93/12/70/558931270.db2.gz LWMDYEAHTONPPF-UHFFFAOYSA-N 0 0 406.467 4.503 50 0 HJAARN O=C(CSCc1ccc(-c2nc(-c3ccccc3)no2)o1)NCc1ccc(F)cc1 ZINC000033262385 558932536 /nfs/dbraw/zinc/93/25/36/558932536.db2.gz QMJHXTKOIFNLIS-UHFFFAOYSA-N 0 0 423.469 4.685 50 0 HJAARN Cc1cccnc1NC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCCC2 ZINC000072401687 558936537 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4.898 50 0 HJAARN CC(C)CCN1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021809683 558953042 /nfs/dbraw/zinc/95/30/42/558953042.db2.gz CTWFMMKHIFKNFS-QHCPKHFHSA-N 0 0 415.603 4.802 50 0 HJAARN Cc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCC2)c(C)c1 ZINC000021810542 558953302 /nfs/dbraw/zinc/95/33/02/558953302.db2.gz FZGSUQCESXMFLR-RUZDIDTESA-N 0 0 419.525 4.719 50 0 HJAARN Cc1ccc(-c2nc3cccnc3n2CCCNC(=O)Nc2cc(F)ccc2F)cc1 ZINC000033263820 558955711 /nfs/dbraw/zinc/95/57/11/558955711.db2.gz LWXDSBJCJSKXLT-UHFFFAOYSA-N 0 0 421.451 4.897 50 0 HJAARN CCc1ccc2[nH]c(CSCC(=O)Nc3cc(Cl)ccc3C)cc(=O)c2c1 ZINC000033064297 558957115 /nfs/dbraw/zinc/95/71/15/558957115.db2.gz RDNPUAYRKGUYGU-UHFFFAOYSA-N 0 0 400.931 4.924 50 0 HJAARN O=C(Nc1ccc(OCc2cc(=O)n3ccccc3n2)cc1)Nc1ccccc1Cl ZINC000033067771 558957609 /nfs/dbraw/zinc/95/76/09/558957609.db2.gz BLLDGUSULHGPAN-UHFFFAOYSA-N 0 0 420.856 4.571 50 0 HJAARN Cc1cccc(NC(=O)Nc2ccc(OCc3cc(=O)n4ccc(C)cc4n3)cc2)c1 ZINC000033068033 558957956 /nfs/dbraw/zinc/95/79/56/558957956.db2.gz XBZJGJISHFZQNJ-UHFFFAOYSA-N 0 0 414.465 4.534 50 0 HJAARN COc1ccc(NC(=O)c2ccc3oc(=O)n(Cc4ccccc4)c3c2)cc1Cl ZINC000064894009 558967126 /nfs/dbraw/zinc/96/71/26/558967126.db2.gz CJCOUUCGIINVRD-UHFFFAOYSA-N 0 0 408.841 4.557 50 0 HJAARN Cc1ccc(Cc2nc3ccccc3nc2SCC(=O)Nc2nccs2)cc1 ZINC000033068730 558967428 /nfs/dbraw/zinc/96/74/28/558967428.db2.gz OATJYYUVPSFHCC-UHFFFAOYSA-N 0 0 406.536 4.716 50 0 HJAARN COc1ccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccccc2)cc1 ZINC000033068763 558968238 /nfs/dbraw/zinc/96/82/38/558968238.db2.gz QSQCVOSWEKKFRL-UHFFFAOYSA-N 0 0 415.518 4.960 50 0 HJAARN O=C(c1ccc2ccnc(N3CCN(c4ccccc4)CC3)c2c1)N1CCCCCC1 ZINC000065002455 558968882 /nfs/dbraw/zinc/96/88/82/558968882.db2.gz ZPNWZNVQERHZHC-UHFFFAOYSA-N 0 0 414.553 4.578 50 0 HJAARN COc1ccc(Oc2ccc(-c3noc([C@@H](C)NC(=O)c4ccco4)n3)cc2)cc1 ZINC000065005229 558969687 /nfs/dbraw/zinc/96/96/87/558969687.db2.gz NHVVHNVZNRTWAM-CQSZACIVSA-N 0 0 405.410 4.622 50 0 HJAARN CCn1cc(-c2c(-c3ccccc3)ncn2Cc2sc(COC)nc2C)c(C)n1 ZINC000065406178 558977455 /nfs/dbraw/zinc/97/74/55/558977455.db2.gz DSUNHEMQHZQXRO-UHFFFAOYSA-N 0 0 407.543 4.702 50 0 HJAARN CC(C)[C@@H](NC(=O)c1cc(-c2ccncc2)n[nH]1)c1nc2ccccc2n1C(C)C ZINC000334161507 558980453 /nfs/dbraw/zinc/98/04/53/558980453.db2.gz CXVYQIYFMASRLK-OAQYLSRUSA-N 0 0 402.502 4.529 50 0 HJAARN O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000011211436 558985885 /nfs/dbraw/zinc/98/58/85/558985885.db2.gz MQKVFVDGRBYSOK-UHFFFAOYSA-N 0 0 402.450 4.622 50 0 HJAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3cnc4c(cnn4C(C)C)c3)c12 ZINC000022320229 558987766 /nfs/dbraw/zinc/98/77/66/558987766.db2.gz LELSDHDINKQKFU-UHFFFAOYSA-N 0 0 412.453 4.776 50 0 HJAARN Cc1cc(C(=O)N2CCOc3c(O)cc(-c4csc5ccccc45)cc3C2)on1 ZINC000067673783 558991015 /nfs/dbraw/zinc/99/10/15/558991015.db2.gz ZDYVBLVBQVTACA-UHFFFAOYSA-N 0 0 406.463 4.605 50 0 HJAARN Cc1cc(SCC(=O)N[C@H](C)c2ccccc2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000033268963 558993499 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Cc1cccc2sc(NC(=O)Cc3cc(=O)[nH]c(SCc4ccccc4)n3)nc21 ZINC000023138034 559018510 /nfs/dbraw/zinc/01/85/10/559018510.db2.gz XVDRWSSTFWXCTP-UHFFFAOYSA-N 0 0 422.535 4.574 50 0 HJAARN COc1ccc(NC(=O)c2csc(Nc3ccc(OC(F)F)cc3)n2)c(OC)c1 ZINC000023136862 559018906 /nfs/dbraw/zinc/01/89/06/559018906.db2.gz JMAYHUPWTXQHCJ-UHFFFAOYSA-N 0 0 421.425 4.758 50 0 HJAARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc(O)c2)cc1 ZINC000004731523 559032733 /nfs/dbraw/zinc/03/27/33/559032733.db2.gz GFPYNSYXEUQWKR-QHCPKHFHSA-N 0 0 410.477 4.978 50 0 HJAARN COc1ccc([C@H]2C[C@H](c3ccc(C)cc3)N(C(=O)C(C)(C)C)c3ncnn32)cc1 ZINC000004732805 559033332 /nfs/dbraw/zinc/03/33/32/559033332.db2.gz CSZNTWZPGUTEAR-NHCUHLMSSA-N 0 0 404.514 4.709 50 0 HJAARN CCCC[C@@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)CN1C(=O)c1ncoc1C ZINC000082098161 559037665 /nfs/dbraw/zinc/03/76/65/559037665.db2.gz XZXIPZRPXIKZEB-JOCHJYFZSA-N 0 0 417.509 4.698 50 0 HJAARN Brc1cccc(-c2noc(CSc3nccn3-c3ccccc3)n2)c1 ZINC000033278082 559041257 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Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1ccccc1F ZINC000033299245 559050618 /nfs/dbraw/zinc/05/06/18/559050618.db2.gz KNCCXUGRDUHVJL-UHFFFAOYSA-N 0 0 406.382 4.670 50 0 HJAARN O=C(Nc1ccc(OCc2nnc(-c3ccccc3)o2)cc1)c1ccnc(Cl)c1 ZINC000033308256 559052406 /nfs/dbraw/zinc/05/24/06/559052406.db2.gz DTJAHJIDDJDALL-UHFFFAOYSA-N 0 0 406.829 4.616 50 0 HJAARN Cc1csc(-c2cc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)c(C)s2)n1 ZINC000033308463 559052588 /nfs/dbraw/zinc/05/25/88/559052588.db2.gz JRCJKQNKQCJOLK-OAHLLOKOSA-N 0 0 411.552 4.788 50 0 HJAARN CC(C)c1ccc(C(=O)N2CCC[C@@H](COc3cccc(C(=O)NC4CC4)c3)C2)cc1 ZINC000033311718 559054586 /nfs/dbraw/zinc/05/45/86/559054586.db2.gz WUKYDLGWRQRSAT-LJQANCHMSA-N 0 0 420.553 4.633 50 0 HJAARN CCOc1ccc([C@H](C)NC(=O)c2ccc(-c3nccnc3N3CCCC3)cc2)cc1 ZINC000033313084 559055055 /nfs/dbraw/zinc/05/50/55/559055055.db2.gz QFPQMKAIEHFFFY-SFHVURJKSA-N 0 0 416.525 4.634 50 0 HJAARN CCCCC(=O)Nc1ccc(N2CCn3c4ccc(Cl)cc4nc3C2)cc1OC ZINC000033320663 559057797 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Cc1ccccc1NC(=O)COc1cccc(-c2noc(-c3cccc(F)c3)n2)c1 ZINC000033327339 559060082 /nfs/dbraw/zinc/06/00/82/559060082.db2.gz UUZWPDUMHXTTIF-UHFFFAOYSA-N 0 0 403.413 4.869 50 0 HJAARN Cc1cccc(NC(=O)COc2cccc(-c3noc(-c4ccccc4F)n3)c2)c1 ZINC000033327351 559060093 /nfs/dbraw/zinc/06/00/93/559060093.db2.gz DXGQGCBHIYUEQS-UHFFFAOYSA-N 0 0 403.413 4.869 50 0 HJAARN COc1ccccc1NC(=O)COc1cccc(-c2noc(-c3cccc(F)c3)n2)c1 ZINC000033327344 559060096 /nfs/dbraw/zinc/06/00/96/559060096.db2.gz IPKWXXMWLSBPHC-UHFFFAOYSA-N 0 0 419.412 4.569 50 0 HJAARN COc1ccc(NC(=O)COc2cccc(-c3noc(-c4cccc(F)c4)n3)c2)cc1 ZINC000033327343 559060113 /nfs/dbraw/zinc/06/01/13/559060113.db2.gz MXEPUSCZLLQRCR-UHFFFAOYSA-N 0 0 419.412 4.569 50 0 HJAARN COc1ccccc1NC(=O)COc1cccc(-c2noc(-c3ccccc3F)n2)c1 ZINC000033327357 559060125 /nfs/dbraw/zinc/06/01/25/559060125.db2.gz JYZCOKZDAXRPSF-UHFFFAOYSA-N 0 0 419.412 4.569 50 0 HJAARN CC(C)OC(=O)c1c2c(sc1NC(=O)/C=C\c1ccc3c(c1)OCO3)CCCC2 ZINC000033332313 559063139 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CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1ncoc1C ZINC000095502234 559082386 /nfs/dbraw/zinc/08/23/86/559082386.db2.gz FZFKNPQCKGUAPQ-QHCPKHFHSA-N 0 0 401.466 4.651 50 0 HJAARN O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccccc1Br ZINC000011523981 559087304 /nfs/dbraw/zinc/08/73/04/559087304.db2.gz FWWUGZUWWLSDHL-UHFFFAOYSA-N 0 0 402.317 4.911 50 0 HJAARN O=S(=O)(c1cccs1)N(CCc1c[nH]c2ccc(F)cc12)Cc1cccs1 ZINC000016957290 559087416 /nfs/dbraw/zinc/08/74/16/559087416.db2.gz YCIZGJQHATXIHH-UHFFFAOYSA-N 0 0 420.556 4.864 50 0 HJAARN CCOc1cc(Nc2ccc(NC(=O)Nc3ccccc3OCC)cc2)nc(C)n1 ZINC000011613274 559113948 /nfs/dbraw/zinc/11/39/48/559113948.db2.gz SGANGZZAKJVKPJ-UHFFFAOYSA-N 0 0 407.474 4.970 50 0 HJAARN COc1ccc([C@@H]2C[C@@H](c3ccccc3)N(C(=O)c3ccccc3)c3ncnn32)cc1 ZINC000004816747 559114353 /nfs/dbraw/zinc/11/43/53/559114353.db2.gz VEGAOXVSBYYXBE-GOTSBHOMSA-N 0 0 410.477 4.668 50 0 HJAARN CCCC(=O)N1c2ncnn2[C@H](c2ccccc2Cl)C[C@H]1c1ccc(OC)cc1 ZINC000004816871 559114825 /nfs/dbraw/zinc/11/48/25/559114825.db2.gz GLJYUUNXRYBWRT-PMACEKPBSA-N 0 0 410.905 4.808 50 0 HJAARN COc1ccccc1[C@H]1C[C@H](c2ccc(C)cc2)N(C(=O)C(C)(C)C)c2ncnn21 ZINC000004816950 559114998 /nfs/dbraw/zinc/11/49/98/559114998.db2.gz PLCBKNKJQCBAOZ-WOJBJXKFSA-N 0 0 404.514 4.709 50 0 HJAARN C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)n1nc(C(F)(F)F)c(Br)c1C1CC1 ZINC000017092895 559122709 /nfs/dbraw/zinc/12/27/09/559122709.db2.gz YANHPWOAIVBODE-OUAUKWLOSA-N 0 0 422.289 4.892 50 0 HJAARN Cc1ccc(F)cc1C(=O)N1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023321276 559126172 /nfs/dbraw/zinc/12/61/72/559126172.db2.gz GPCSLMJAVNCDBP-XMMPIXPASA-N 0 0 406.476 4.821 50 0 HJAARN O=S(=O)(Nc1ccc(Cl)cc1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098072970 559126625 /nfs/dbraw/zinc/12/66/25/559126625.db2.gz HCWSMPQCMLTUPO-UHFFFAOYSA-N 0 0 414.630 4.922 50 0 HJAARN Cc1cc(C)cc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c1 ZINC000098073021 559126709 /nfs/dbraw/zinc/12/67/09/559126709.db2.gz GBXDNKVMKGRGQA-UHFFFAOYSA-N 0 0 408.239 4.886 50 0 HJAARN Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)cc1Cl ZINC000098211323 559127199 /nfs/dbraw/zinc/12/71/99/559127199.db2.gz ZNSVHSVNINDMKF-UHFFFAOYSA-N 0 0 410.836 4.945 50 0 HJAARN Cc1cc(C)cc(C(=O)NC2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)c1 ZINC000098212658 559127876 /nfs/dbraw/zinc/12/78/76/559127876.db2.gz ISPPATZWSQAVTI-UHFFFAOYSA-N 0 0 408.933 4.746 50 0 HJAARN COc1ccc(-c2cs/c(=N/C(=O)c3ccccc3)n2-c2ccccc2)cc1OC ZINC000100724968 559138537 /nfs/dbraw/zinc/13/85/37/559138537.db2.gz ZMDZTCZKTMFWMR-OCOZRVBESA-N 0 0 416.502 4.964 50 0 HJAARN C[C@@H]1CCc2c(sc3ncnc(N4CCC[C@@H](c5nnc6n5CCCCC6)C4)c23)C1 ZINC000014017341 559143348 /nfs/dbraw/zinc/14/33/48/559143348.db2.gz QUOWRXJZZDSSFE-HZPDHXFCSA-N 0 0 422.602 4.518 50 0 HJAARN Cc1ccc(C(=O)Nc2ccc(-c3ccc4nnc(-c5ccncc5)n4n3)cc2)cc1C ZINC000011665533 559143801 /nfs/dbraw/zinc/14/38/01/559143801.db2.gz AEKLVUAXCAIOQH-UHFFFAOYSA-N 0 0 420.476 4.722 50 0 HJAARN COc1cc(OC)cc(-c2onc(C)c2C(=O)NCc2c(C)cccc2Cl)c1 ZINC000023323941 559147968 /nfs/dbraw/zinc/14/79/68/559147968.db2.gz XLKXNJCKXLMWNO-UHFFFAOYSA-N 0 0 400.862 4.559 50 0 HJAARN COc1ccc(CCNC(=S)Nc2cc(Cl)ccc2N2CCCCC2)cc1 ZINC000014068443 559148140 /nfs/dbraw/zinc/14/81/40/559148140.db2.gz WFBRAYXPKYUXHT-UHFFFAOYSA-N 0 0 403.979 4.868 50 0 HJAARN Cc1ccc(OCCn2cnc3cc(C)c(C)cc32)c(I)c1 ZINC000014084397 559149450 /nfs/dbraw/zinc/14/94/50/559149450.db2.gz IGUXCFIDDAQVCR-UHFFFAOYSA-N 0 0 406.267 4.645 50 0 HJAARN CC[C@H](C)NC(=O)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000004837401 559166423 /nfs/dbraw/zinc/16/64/23/559166423.db2.gz MAUPZZZEAKRODF-NGZCFLSTSA-N 0 0 406.861 4.787 50 0 HJAARN COc1ccc(Nc2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)s2)cc1 ZINC000004838940 559167013 /nfs/dbraw/zinc/16/70/13/559167013.db2.gz WSPJYHXTKAFAQT-UHFFFAOYSA-N 0 0 414.556 4.946 50 0 HJAARN CC(C)c1ccc(CNc2nc(-c3ccco3)nn2C(=O)COc2ccccc2)cc1 ZINC000014611094 559171187 /nfs/dbraw/zinc/17/11/87/559171187.db2.gz NRXZSZBVIYCANM-UHFFFAOYSA-N 0 0 416.481 4.993 50 0 HJAARN CC(C)(C)C(=O)n1nc(-c2ccco2)nc1NCc1ccc(Br)cc1 ZINC000014611273 559171207 /nfs/dbraw/zinc/17/12/07/559171207.db2.gz CJGXCTONEWXFPM-UHFFFAOYSA-N 0 0 403.280 4.599 50 0 HJAARN CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(C(=O)NCC3CC3)cc2)n1 ZINC000023335664 559172318 /nfs/dbraw/zinc/17/23/18/559172318.db2.gz CTKYYWDTOCFKMQ-UHFFFAOYSA-N 0 0 423.900 4.509 50 0 HJAARN CCOC(=O)c1cc(-c2ccc(C)c(C)c2)n(-c2ccc(C(=O)NC3CCC3)cc2)n1 ZINC000023335957 559172412 /nfs/dbraw/zinc/17/24/12/559172412.db2.gz BWJJGGUXBZNNAL-UHFFFAOYSA-N 0 0 417.509 4.615 50 0 HJAARN CCOC(=O)c1cc(-c2ccc(CC)cc2)n(-c2ccc(C(=O)NCC(C)C)cc2)n1 ZINC000023334664 559172699 /nfs/dbraw/zinc/17/26/99/559172699.db2.gz XXZMDZOQWCDJEM-UHFFFAOYSA-N 0 0 419.525 4.664 50 0 HJAARN CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2)sc2c1Cc1ccccc1-2 ZINC000023425738 559173967 /nfs/dbraw/zinc/17/39/67/559173967.db2.gz HSALZCVLCKCXDP-AWEZNQCLSA-N 0 0 407.491 4.902 50 0 HJAARN CCOc1cc(C(=O)NCc2cccc(Br)c2)cc(OCC)c1OCC ZINC000072331504 559178176 /nfs/dbraw/zinc/17/81/76/559178176.db2.gz YJPGVQSDLPZFCG-UHFFFAOYSA-N 0 0 422.319 4.575 50 0 HJAARN COc1ccc(-c2csc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)cc1OC ZINC000023660347 559178899 /nfs/dbraw/zinc/17/88/99/559178899.db2.gz OLNUUJNCWFVZNK-GFCCVEGCSA-N 0 0 418.902 4.887 50 0 HJAARN CCc1ccc2nc(N(Cc3ccccn3)C(=O)c3cc(C)nn3CC)sc2c1 ZINC000011696045 559189180 /nfs/dbraw/zinc/18/91/80/559189180.db2.gz QDYJAUPNQVROAR-UHFFFAOYSA-N 0 0 405.527 4.626 50 0 HJAARN CCCCn1c(SCC(=O)Nc2ccc(C)cc2)nc2c3ccccc3oc2c1=O ZINC000004852683 559191494 /nfs/dbraw/zinc/19/14/94/559191494.db2.gz OHSZPYAAWHJQEC-UHFFFAOYSA-N 0 0 421.522 4.982 50 0 HJAARN Cc1[nH]c2ccccc2c1[C@H]1[C@H](CCNCS(=O)(=O)c2ccc(F)cc2)C1(C)C ZINC000033434068 559191871 /nfs/dbraw/zinc/19/18/71/559191871.db2.gz KYMABHKBLRJVOF-SIKLNZKXSA-N 0 0 414.546 4.766 50 0 HJAARN Cc1cc(NC(=O)[C@H](NC(=O)C2CCC(C)CC2)C(C)C)ccc1Br ZINC000004872361 559194595 /nfs/dbraw/zinc/19/45/95/559194595.db2.gz CTGXUKMQSUBBIZ-LEHRNKBSSA-N 0 0 409.368 4.663 50 0 HJAARN Cc1sc2c(c1C)c(=O)n(-c1ccc(Cl)cc1)c(=O)n2Cc1ccccc1C ZINC000004877738 559195597 /nfs/dbraw/zinc/19/55/97/559195597.db2.gz QJNNGDARJSOPOI-UHFFFAOYSA-N 0 0 410.926 4.841 50 0 HJAARN Cc1sc2c(c1C)c(=O)n(-c1ccc(C)c(C)c1)c(=O)n2Cc1ccccc1C ZINC000004877813 559195656 /nfs/dbraw/zinc/19/56/56/559195656.db2.gz MBXAHZKMYAFLMZ-UHFFFAOYSA-N 0 0 404.535 4.804 50 0 HJAARN COc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(Cl)cc3)C2=O)cc1 ZINC000100344652 559195821 /nfs/dbraw/zinc/19/58/21/559195821.db2.gz HZGJBJGFIKUTFK-KGENOOAVSA-N 0 0 404.853 4.989 50 0 HJAARN CCOc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)cc1 ZINC000004881994 559197129 /nfs/dbraw/zinc/19/71/29/559197129.db2.gz GDNGBFFFTXHGQK-DNQXCXABSA-N 0 0 412.489 4.561 50 0 HJAARN CCSC1=N/C(=C\c2ccc(OC)cc2)C(=O)N1c1ccc(OC)c(Cl)c1 ZINC000004882906 559197476 /nfs/dbraw/zinc/19/74/76/559197476.db2.gz SDLUWTXTGOPEIG-BOPFTXTBSA-N 0 0 402.903 4.854 50 0 HJAARN O=C(c1ccccc1)N1C(=S)C(c2ccc(Br)cc2)=NC12CCCC2 ZINC000004891753 559198636 /nfs/dbraw/zinc/19/86/36/559198636.db2.gz RPYDNSBBSRZIKF-UHFFFAOYSA-N 0 0 413.340 4.992 50 0 HJAARN Cc1ccnc2c1cccc2N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000004893720 559198743 /nfs/dbraw/zinc/19/87/43/559198743.db2.gz TZXHAULOUOEUKY-MQSUGXTHSA-N 0 0 416.480 4.940 50 0 HJAARN CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nncn1-c1ccccc1OC ZINC000004895043 559198815 /nfs/dbraw/zinc/19/88/15/559198815.db2.gz BPGWTMSQRAOJNM-HZPDHXFCSA-N 0 0 410.543 4.909 50 0 HJAARN COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H]1CC=CC[C@@H]1Cc1ccccc1 ZINC000004897785 559199171 /nfs/dbraw/zinc/19/91/71/559199171.db2.gz RXFUGJQYDAQJPM-SJLPKXTDSA-N 0 0 406.457 4.857 50 0 HJAARN Cc1c(C2=CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc2n1C ZINC000004901061 559199658 /nfs/dbraw/zinc/19/96/58/559199658.db2.gz MSNRRAFVXCDFGL-UHFFFAOYSA-N 0 0 400.931 4.618 50 0 HJAARN C[C@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@@H]1C(=O)NCCc1ccccc1 ZINC000004903060 559200015 /nfs/dbraw/zinc/20/00/15/559200015.db2.gz AKDAKVXIAZROFT-CJFMBICVSA-N 0 0 412.533 4.564 50 0 HJAARN C[C@@H]1C[C@@H](C)CN(C(=O)c2cn(C3CCCC3)c(=O)c3c2c2ccccc2n3C)C1 ZINC000004904552 559200442 /nfs/dbraw/zinc/20/04/42/559200442.db2.gz CFRJIXCBZRIWHK-IAGOWNOFSA-N 0 0 405.542 4.726 50 0 HJAARN CN(Cc1ccccc1)C(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1c[nH]c2ccccc21 ZINC000004909676 559201473 /nfs/dbraw/zinc/20/14/73/559201473.db2.gz PYUINWYIMHFKAK-JWQCQUIFSA-N 0 0 423.516 4.737 50 0 HJAARN COC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccc(C)cc2)cc1 ZINC000004912333 559203821 /nfs/dbraw/zinc/20/38/21/559203821.db2.gz WPTDTKDDKPHYJL-UHFFFAOYSA-N 0 0 403.507 4.867 50 0 HJAARN CC(C)N(CC(=O)N1CCS[C@@H]1c1ccccc1Cl)Cc1ccccc1F ZINC000004918148 559204503 /nfs/dbraw/zinc/20/45/03/559204503.db2.gz ABCFUFFZWNALRZ-OAQYLSRUSA-N 0 0 406.954 4.964 50 0 HJAARN CCOc1ccc(N2C(=O)c3ccccc3[C@H]2Nc2cc(OC)cc(OC)c2)cc1 ZINC000004918309 559204540 /nfs/dbraw/zinc/20/45/40/559204540.db2.gz ORSINNJRHUJJIX-QHCPKHFHSA-N 0 0 404.466 4.874 50 0 HJAARN CCOc1ccc(N2C(=O)c3ccccc3[C@@H]2Nc2cc(OC)ccc2OC)cc1 ZINC000004918432 559204671 /nfs/dbraw/zinc/20/46/71/559204671.db2.gz NLXKCGTWEHMELH-HSZRJFAPSA-N 0 0 404.466 4.874 50 0 HJAARN CC[C@H](C)N(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)C1CCC1 ZINC000004920499 559207308 /nfs/dbraw/zinc/20/73/08/559207308.db2.gz VCDGGIFIBHIRCH-INIZCTEOSA-N 0 0 419.518 4.521 50 0 HJAARN CCN(CCNc1cc(C)nc2c(-c3ccccc3OC)c(C)nn21)c1ccccc1 ZINC000004924871 559207680 /nfs/dbraw/zinc/20/76/80/559207680.db2.gz WHFCYQPPQGYZBQ-UHFFFAOYSA-N 0 0 415.541 4.960 50 0 HJAARN Cc1ccc(-c2nc(-c3ccc(C)cc3)c(SCC(=O)NC[C@H]3CCCO3)[nH]2)cc1 ZINC000004927667 559208178 /nfs/dbraw/zinc/20/81/78/559208178.db2.gz ARFHRYPEQJUOHS-HXUWFJFHSA-N 0 0 421.566 4.748 50 0 HJAARN COc1ccccc1-c1cc2nc(C)c(CCC(=O)Nc3ccccc3F)c(C)n2n1 ZINC000004935707 559210535 /nfs/dbraw/zinc/21/05/35/559210535.db2.gz PPXDQIFWXFBIPH-UHFFFAOYSA-N 0 0 418.472 4.732 50 0 HJAARN COc1ccc(C(=O)c2cn(Cc3cccc(F)c3)c3ccc(F)cc3c2=O)cc1 ZINC000004936973 559212021 /nfs/dbraw/zinc/21/20/21/559212021.db2.gz KSFGZAJDSUAAHH-UHFFFAOYSA-N 0 0 405.400 4.568 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/nfs/dbraw/zinc/22/24/45/559222445.db2.gz BDGAZDVJNRSKHC-QFIPXVFZSA-N 0 0 422.516 4.980 50 0 HJAARN O=C(CN1c2ccccc2N=C(c2ccccc2)CC1=O)Nc1ccccc1Cl ZINC000004986572 559224147 /nfs/dbraw/zinc/22/41/47/559224147.db2.gz FTSNMSHWDITKEM-UHFFFAOYSA-N 0 0 403.869 4.836 50 0 HJAARN COc1cc2nc(SCc3ccc(Cl)cc3)n3nc(C)nc3c2cc1OC ZINC000005005745 559227121 /nfs/dbraw/zinc/22/71/21/559227121.db2.gz NWVBEIJZRJMXFX-UHFFFAOYSA-N 0 0 400.891 4.549 50 0 HJAARN Cc1cc(=O)oc2cc(NC(=O)c3cccc4c3C(=O)N(C3CCCCC3)C4)ccc12 ZINC000005005991 559227209 /nfs/dbraw/zinc/22/72/09/559227209.db2.gz MBDJPDSVSCKIPR-UHFFFAOYSA-N 0 0 416.477 4.642 50 0 HJAARN O=C(CCn1c(=O)sc2ccccc21)NCCC(c1ccccc1)c1ccccc1 ZINC000005015011 559228303 /nfs/dbraw/zinc/22/83/03/559228303.db2.gz KVOJSVKNJYGVBM-UHFFFAOYSA-N 0 0 416.546 4.792 50 0 HJAARN CCCNC(=O)c1c(N)n(-c2ccc(Cl)c(Cl)c2)c2nc3ccccc3nc21 ZINC000005033114 559231601 /nfs/dbraw/zinc/23/16/01/559231601.db2.gz VLFVPAYHMWVUNY-UHFFFAOYSA-N 0 0 414.296 4.603 50 0 HJAARN COc1ccc(-c2nc(CSCC(=O)NCc3ccc(Cl)cc3)c(C)o2)cc1 ZINC000005056673 559237738 /nfs/dbraw/zinc/23/77/38/559237738.db2.gz VKMDUQMKMJCGLH-UHFFFAOYSA-N 0 0 416.930 4.862 50 0 HJAARN COc1cccc(-c2nc(CSCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c(C)o2)c1 ZINC000005057018 559237867 /nfs/dbraw/zinc/23/78/67/559237867.db2.gz CKEKSWPZWUPPHY-YZVOILCLSA-N 0 0 402.560 4.833 50 0 HJAARN O=C(O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccc2ccccc2n1 ZINC000005079611 559242133 /nfs/dbraw/zinc/24/21/33/559242133.db2.gz PYDDDEKNTMIFNQ-JOCHJYFZSA-N 0 0 400.409 4.911 50 0 HJAARN CCOc1ccc2nc(N3CCC(C(=O)NCCc4ccc(C)cc4)CC3)sc2c1 ZINC000005086056 559242920 /nfs/dbraw/zinc/24/29/20/559242920.db2.gz WMYVDKFOFZKDKJ-UHFFFAOYSA-N 0 0 423.582 4.579 50 0 HJAARN CCOc1ccc2nc(N3CCC[C@@H](C(=O)Nc4ccc(F)cc4F)C3)sc2c1 ZINC000005086398 559243024 /nfs/dbraw/zinc/24/30/24/559243024.db2.gz BOJZAAZFNHYKBE-CYBMUJFWSA-N 0 0 417.481 4.828 50 0 HJAARN O=C(COC(=O)c1cccc(NC(=O)c2cccs2)c1)c1c[nH]c2ccccc21 ZINC000005089719 559243325 /nfs/dbraw/zinc/24/33/25/559243325.db2.gz PWJHGMUMAPVAMW-UHFFFAOYSA-N 0 0 404.447 4.521 50 0 HJAARN CC[C@H](C)[C@H](C(=O)N[C@H]1CCCc2c3ccccc3[nH]c21)N1Cc2ccccc2C1=O ZINC000409414536 559250033 /nfs/dbraw/zinc/25/00/33/559250033.db2.gz LZINVGUQEGXLQY-UIDQEFQQSA-N 0 0 415.537 4.732 50 0 HJAARN COc1ccc(NC(=O)N2CCc3[nH]c4ccc(OC(F)(F)F)cc4c3C2)cc1 ZINC000409413093 559250435 /nfs/dbraw/zinc/25/04/35/559250435.db2.gz BUEDHFRHSCCKRS-UHFFFAOYSA-N 0 0 405.376 4.665 50 0 biogenic HJAARN CCOc1ccc(CNC(=O)c2oc3ccc4c(c3c2C)C(=O)CC(C)(C)O4)cc1 ZINC000005135655 559250638 /nfs/dbraw/zinc/25/06/38/559250638.db2.gz ZZEIGMCHMVNPHV-UHFFFAOYSA-N 0 0 407.466 4.814 50 0 HJAARN O=c1c2cnn(-c3ccc(Cl)cc3)c2ncn1Cc1ccc(Cl)cc1Cl ZINC000005139138 559251004 /nfs/dbraw/zinc/25/10/04/559251004.db2.gz QRUREFQRUVPVTM-UHFFFAOYSA-N 0 0 405.672 4.591 50 0 HJAARN CC(=O)N1CC2=C(C1=O)[C@H](c1cccnc1)c1cn(CC(C)C)c3cccc(c13)N2 ZINC000409415426 559251143 /nfs/dbraw/zinc/25/11/43/559251143.db2.gz HNLABORXZYCULU-OAQYLSRUSA-N 0 0 400.482 4.542 50 0 HJAARN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)c3c2C(=O)C[C@@H]3C)c(Br)c1 ZINC000012996569 559251259 /nfs/dbraw/zinc/25/12/59/559251259.db2.gz BHROIDAAVOIZBG-NWDGAFQWSA-N 0 0 420.278 4.993 50 0 HJAARN CCOc1ccc(CCNC(=O)c2cc3oc4ccccc4c3n2C)cc1OCC ZINC000005149884 559252043 /nfs/dbraw/zinc/25/20/43/559252043.db2.gz WTBJFLHOAONXTF-UHFFFAOYSA-N 0 0 406.482 4.694 50 0 HJAARN CCOc1ccc(CCNC(=O)c2ccc3nc(N4CCCCC4)sc3c2)cc1 ZINC000005144789 559252400 /nfs/dbraw/zinc/25/24/00/559252400.db2.gz IGVLSBPHZBPSSR-UHFFFAOYSA-N 0 0 409.555 4.658 50 0 HJAARN CCC(=O)N(Cc1ccc(C)cc1)c1ccc(CC(=O)NCc2ccccc2)cc1 ZINC000037555693 559254890 /nfs/dbraw/zinc/25/48/90/559254890.db2.gz SFLIDFUWOSPQPQ-UHFFFAOYSA-N 0 0 400.522 4.797 50 0 HJAARN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)C2CC2)cc1)NCc1ccc(F)cc1 ZINC000037555447 559254920 /nfs/dbraw/zinc/25/49/20/559254920.db2.gz REEOFOFWPJJGPE-UHFFFAOYSA-N 0 0 416.496 4.628 50 0 HJAARN O=C(Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2cccc(F)c2)cc1)NC1CC1 ZINC000037555602 559254970 /nfs/dbraw/zinc/25/49/70/559254970.db2.gz HCBGXTBJZJUJKD-UHFFFAOYSA-N 0 0 420.459 4.633 50 0 HJAARN CC(C)NC(=O)Cc1cccc(N(Cc2ccc(F)cc2)C(=O)c2cccc(F)c2)c1 ZINC000037601059 559255605 /nfs/dbraw/zinc/25/56/05/559255605.db2.gz HJJYEVFYXAESFU-UHFFFAOYSA-N 0 0 422.475 4.879 50 0 HJAARN Cc1nc(-c2nnn(-c3cccc(Cl)c3)c2C)sc1C(=O)NCc1ccccc1 ZINC000038487453 559256140 /nfs/dbraw/zinc/25/61/40/559256140.db2.gz NHGMQFPYLZILCZ-UHFFFAOYSA-N 0 0 423.929 4.591 50 0 HJAARN COc1ccc(-n2nnc3c2ncnc3SCc2ccc(C(F)(F)F)cc2)cc1 ZINC000011758694 559258049 /nfs/dbraw/zinc/25/80/49/559258049.db2.gz ZGICXGYPAXMNJF-UHFFFAOYSA-N 0 0 417.416 4.530 50 0 HJAARN Cc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nccs2)cc1 ZINC000005156477 559259010 /nfs/dbraw/zinc/25/90/10/559259010.db2.gz PQVQBGVQNNUUHN-KRWDZBQOSA-N 0 0 408.866 4.961 50 0 HJAARN O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000011817977 559260471 /nfs/dbraw/zinc/26/04/71/559260471.db2.gz OEHIBKRCVJPOAP-LJQANCHMSA-N 0 0 413.477 4.919 50 0 HJAARN COc1cc(C(=O)Oc2ccc3c(Cc4ccccc4)noc3c2)cc(OC)c1OC ZINC000011854226 559262218 /nfs/dbraw/zinc/26/22/18/559262218.db2.gz JYHOFYWMMUTKES-UHFFFAOYSA-N 0 0 419.433 4.664 50 0 HJAARN Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(Cl)c2)n1 ZINC000005157639 559264903 /nfs/dbraw/zinc/26/49/03/559264903.db2.gz KZKFAAPIFUQNGD-HXUWFJFHSA-N 0 0 402.837 4.900 50 0 HJAARN CC(=O)Nc1nc2n(n1)[C@@H](c1ccccc1Cl)C[C@H](c1ccc(Cl)cc1)N2 ZINC000005157862 559265012 /nfs/dbraw/zinc/26/50/12/559265012.db2.gz UJZBNLCNDSLHTC-IAGOWNOFSA-N 0 0 402.285 4.690 50 0 HJAARN COc1ccc(-c2cn3c(C(=O)Nc4nc5ccccc5s4)csc3n2)cc1 ZINC000011902229 559265693 /nfs/dbraw/zinc/26/56/93/559265693.db2.gz ZPRWDPJSLJGXSP-UHFFFAOYSA-N 0 0 406.492 4.933 50 0 HJAARN Cc1ccc(CN(C(=O)COc2ccc(Br)cc2)c2ccccn2)cc1 ZINC000011914549 559267569 /nfs/dbraw/zinc/26/75/69/559267569.db2.gz PPNLTMCRRNGIFI-UHFFFAOYSA-N 0 0 411.299 4.765 50 0 HJAARN Cc1sc2nc(CN3CCC(C)CC3)nc(NCc3ccccc3CO)c2c1C ZINC000062580177 559272912 /nfs/dbraw/zinc/27/29/12/559272912.db2.gz YSRFJJSTCRKGEU-UHFFFAOYSA-N 0 0 410.587 4.644 50 0 HJAARN O=C1Nc2ccccc2[C@]12Sc1nc(-c3ccccc3)c(-c3ccccc3)n1C2=O ZINC000226759260 559273847 /nfs/dbraw/zinc/27/38/47/559273847.db2.gz JDCSZURHDZSZFO-DEOSSOPVSA-N 0 0 409.470 4.811 50 0 HJAARN O=S(=O)(N[C@@H](c1cccs1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000000792915 559279508 /nfs/dbraw/zinc/27/95/08/559279508.db2.gz IMBIUPZKBAEJRG-NSHDSACASA-N 0 0 405.155 4.791 50 0 HJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3F)[C@@H]2C(=O)N1c1ccccc1Cl ZINC000137957543 559281425 /nfs/dbraw/zinc/28/14/25/559281425.db2.gz XFHQPKHHKCFCDY-PWRODBHTSA-N 0 0 422.843 4.530 50 0 HJAARN O=C(CCc1nc2ccccc2n1-c1ccccc1)Nc1cccc(N2CCCC2=O)c1 ZINC000024289673 559282204 /nfs/dbraw/zinc/28/22/04/559282204.db2.gz DLCJJLLULOSNRT-UHFFFAOYSA-N 0 0 424.504 4.724 50 0 HJAARN O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C(c1ccccc1)c1ccccc1 ZINC000005168559 559287200 /nfs/dbraw/zinc/28/72/00/559287200.db2.gz WCDFKIAGMHBOFF-UHFFFAOYSA-N 0 0 405.461 4.562 50 0 HJAARN CCOc1ccc(C(=O)Nc2nc3ccc(OC)cc3s2)cc1Br ZINC000005172369 559287858 /nfs/dbraw/zinc/28/78/58/559287858.db2.gz VJAYTILZRGYIRJ-UHFFFAOYSA-N 0 0 407.289 4.718 50 0 HJAARN Cc1ccccc1NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 ZINC000000854822 559289579 /nfs/dbraw/zinc/28/95/79/559289579.db2.gz IXIIPOUGTRLYSZ-QHCPKHFHSA-N 0 0 400.478 4.697 50 0 HJAARN O=C(c1cccc2ccccc21)N1CCN(c2nc3c(cc(F)cc3F)s2)CC1 ZINC000005182112 559289868 /nfs/dbraw/zinc/28/98/68/559289868.db2.gz HMACOBIBWJXJER-UHFFFAOYSA-N 0 0 409.461 4.690 50 0 HJAARN CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc2c1C[C@@H](C)CC2 ZINC000005193430 559291605 /nfs/dbraw/zinc/29/16/05/559291605.db2.gz JSCSXXCVXWHETR-LBPRGKRZSA-N 0 0 407.919 4.721 50 0 HJAARN COc1ccc(C)cc1NC(=O)[C@@H](Oc1ccc(-c2nnco2)cc1)c1ccccc1 ZINC000005195593 559291817 /nfs/dbraw/zinc/29/18/17/559291817.db2.gz CCAKXMOEAQDHGS-QFIPXVFZSA-N 0 0 415.449 4.812 50 0 HJAARN CCCCc1ccc(C(=O)Nn2c(=O)c3ccccc3nc2-c2ccc(F)cc2)cc1 ZINC000005198361 559292143 /nfs/dbraw/zinc/29/21/43/559292143.db2.gz JQYCSMODOZATSU-UHFFFAOYSA-N 0 0 415.468 4.929 50 0 HJAARN Cc1ccc(C(=O)Nn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)cc1C ZINC000005199252 559292453 /nfs/dbraw/zinc/29/24/53/559292453.db2.gz ITCHZRSDMFTHMK-UHFFFAOYSA-N 0 0 403.869 4.718 50 0 HJAARN COc1ccc(OC)c(-n2cnc3c2NC(=O)C[C@H]3c2ccccc2OC(C)C)c1 ZINC000061719055 559293418 /nfs/dbraw/zinc/29/34/18/559293418.db2.gz BCGJPLDCNWUKSS-KRWDZBQOSA-N 0 0 407.470 4.800 50 0 HJAARN COc1cc(OC)cc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2Cl)c1 ZINC000001140741 560180477 /nfs/dbraw/zinc/18/04/77/560180477.db2.gz RHTFHSAPBBKSDU-UHFFFAOYSA-N 0 0 410.857 4.862 50 0 biogenic,in-vitro HJAARN C[C@H](CCc1ccccc1)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000005213567 560542517 /nfs/dbraw/zinc/54/25/17/560542517.db2.gz BQDSKMODOIRYHK-CQSZACIVSA-N 0 0 401.919 4.620 50 0 HJAARN CS(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c1 ZINC000005223113 560545394 /nfs/dbraw/zinc/54/53/94/560545394.db2.gz NMELLATXSSJQIF-UHFFFAOYSA-N 0 0 408.504 4.619 50 0 HJAARN Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)NCc3ccc(C)cc3)c(C)c21 ZINC000005235706 560548008 /nfs/dbraw/zinc/54/80/08/560548008.db2.gz CVIVEUDCIGUSKK-UHFFFAOYSA-N 0 0 403.478 4.940 50 0 HJAARN COc1ccccc1C(=O)Nc1ccccc1-c1nnc2c3ccccc3c(C)nn12 ZINC000005244173 560550016 /nfs/dbraw/zinc/55/00/16/560550016.db2.gz NXDLWYPSLHPHLV-UHFFFAOYSA-N 0 0 409.449 4.514 50 0 HJAARN Cc1cc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc3ccccc32)no1 ZINC000005244826 560550154 /nfs/dbraw/zinc/55/01/54/560550154.db2.gz JHAWVUDXBZUHPY-JOCHJYFZSA-N 0 0 408.413 4.992 50 0 HJAARN COc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc4c(c3)OCO4)=NN21 ZINC000005252433 560551656 /nfs/dbraw/zinc/55/16/56/560551656.db2.gz IBFDPFBFOLMWIH-YADARESESA-N 0 0 400.434 4.666 50 0 HJAARN COc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2)c(OC)c1 ZINC000005256101 560552379 /nfs/dbraw/zinc/55/23/79/560552379.db2.gz CNDFZXVIGAFFHY-OAQYLSRUSA-N 0 0 411.889 4.796 50 0 HJAARN CCOc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(OC)c(OC)c2)cc1 ZINC000005256217 560552382 /nfs/dbraw/zinc/55/23/82/560552382.db2.gz LCIMZPZYOMTPTH-HSZRJFAPSA-N 0 0 421.497 4.541 50 0 HJAARN Cc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc4c(c3)OCCO4)nc21 ZINC000005264822 560553360 /nfs/dbraw/zinc/55/33/60/560553360.db2.gz BZBJDIRDBUBGQE-UHFFFAOYSA-N 0 0 417.490 4.618 50 0 HJAARN COc1ccc2sc(N(Cc3ccccn3)C(=O)Cc3ccc(F)cc3)nc2c1 ZINC000005265010 560553387 /nfs/dbraw/zinc/55/33/87/560553387.db2.gz WBTSHPNMMPDRIY-UHFFFAOYSA-N 0 0 407.470 4.615 50 0 HJAARN O=C(Nc1ccc(F)cc1F)c1cccn(Cc2ccc(Cl)cc2Cl)c1=O ZINC000005270844 560560920 /nfs/dbraw/zinc/56/09/20/560560920.db2.gz FVUJKKZDNIUIPL-UHFFFAOYSA-N 0 0 409.219 4.734 50 0 HJAARN Cc1ccc(NC(=O)c2cccn(Cc3ccc(Cl)cc3Cl)c2=O)cc1F ZINC000005270851 560560923 /nfs/dbraw/zinc/56/09/23/560560923.db2.gz IGAHTZNXJZYIFD-UHFFFAOYSA-N 0 0 405.256 4.903 50 0 HJAARN COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C(C)(C)C)C4)c(OC)c1 ZINC000005274737 560561511 /nfs/dbraw/zinc/56/15/11/560561511.db2.gz WWHQWGJOOZBLBF-BUXKBTBVSA-N 0 0 400.544 4.770 50 0 HJAARN O=C([C@H](Sc1nnc(C2CC2)n1-c1ccccc1)c1ccccc1)N1CCCCC1 ZINC000005278145 560561740 /nfs/dbraw/zinc/56/17/40/560561740.db2.gz SRVHFYMGUSHSFK-OAQYLSRUSA-N 0 0 418.566 4.991 50 0 HJAARN CCOc1cc(Br)c(CSc2nnc3ccccn32)cc1OCC ZINC000005315793 560564459 /nfs/dbraw/zinc/56/44/59/560564459.db2.gz YCBFVSZFWLLJIS-UHFFFAOYSA-N 0 0 408.321 4.582 50 0 HJAARN COc1ccc(C)cc1CSc1nnc(-c2cccnc2)n1Cc1ccccc1 ZINC000005316408 560564477 /nfs/dbraw/zinc/56/44/77/560564477.db2.gz YMKVWGNUOQSJRV-UHFFFAOYSA-N 0 0 402.523 4.998 50 0 HJAARN O=C(CCCCCn1cnc2ccccc2c1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000005324358 560564893 /nfs/dbraw/zinc/56/48/93/560564893.db2.gz QUWIHIONVZDVBU-UHFFFAOYSA-N 0 0 404.297 4.902 50 0 HJAARN COc1cc(OC)cc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1 ZINC000005329657 560565544 /nfs/dbraw/zinc/56/55/44/560565544.db2.gz KBOUTCVWJQBTNC-UHFFFAOYSA-N 0 0 406.463 4.938 50 0 HJAARN CCc1ccccc1NC(=O)CSc1ncnc2nc(-c3ccc(C)cc3)ncc21 ZINC000062006852 560566081 /nfs/dbraw/zinc/56/60/81/560566081.db2.gz FOVMRJNBOYAFLQ-UHFFFAOYSA-N 0 0 415.522 4.688 50 0 HJAARN O=C(N[C@@H](Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1)c1cccs1 ZINC000005331609 560566523 /nfs/dbraw/zinc/56/65/23/560566523.db2.gz WGTYBXQEJQFHGU-GOSISDBHSA-N 0 0 404.413 4.818 50 0 HJAARN CCN(C(=O)Cn1cnc2scc(-c3ccc(C)s3)c2c1=O)C1CCCCC1 ZINC000005352027 560569202 /nfs/dbraw/zinc/56/92/02/560569202.db2.gz GTMYCGBXMAIIIP-UHFFFAOYSA-N 0 0 415.584 4.676 50 0 HJAARN Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(C)c(F)c4)c(=O)c23)s1 ZINC000005352095 560569211 /nfs/dbraw/zinc/56/92/11/560569211.db2.gz PHXDYUIEZHHMFP-UHFFFAOYSA-N 0 0 413.499 4.581 50 0 HJAARN COc1ccc(C2=C/C(=C3/N=C(c4cccs4)OC3=O)c3ccccc3O2)cc1 ZINC000005354009 560569360 /nfs/dbraw/zinc/56/93/60/560569360.db2.gz KXCGMHYDWMKGTH-FXBPSFAMSA-N 0 0 401.443 4.905 50 0 HJAARN Cc1cc(C(=O)COC(=O)c2cc(C)nc3ccccc32)c(C)n1Cc1ccco1 ZINC000005355820 560569484 /nfs/dbraw/zinc/56/94/84/560569484.db2.gz ODMYUFVKFHKCII-UHFFFAOYSA-N 0 0 402.450 4.643 50 0 HJAARN CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3ccc(F)c(F)c3F)ccc12 ZINC000005348438 560570994 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O=C(Nc1cccc(-c2nnco2)c1)NC1(c2cccc(Br)c2)CCC1 ZINC000062250111 560589048 /nfs/dbraw/zinc/58/90/48/560589048.db2.gz AVSPOIUYUFMGHV-UHFFFAOYSA-N 0 0 413.275 4.700 50 0 HJAARN CC1CCN(CC(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccccc2)CC1 ZINC000005451050 560590171 /nfs/dbraw/zinc/59/01/71/560590171.db2.gz PYZJOABILHYLAO-UHFFFAOYSA-N 0 0 410.901 4.784 50 0 HJAARN O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc21)N1CCc2ccccc21 ZINC000003253820 560590676 /nfs/dbraw/zinc/59/06/76/560590676.db2.gz DDGJITYNTXISBT-UHFFFAOYSA-N 0 0 414.486 4.709 50 0 HJAARN O=C(COC(=O)c1c2c(nc3ccccc31)CCC2)Nc1cc(Cl)cc(Cl)c1 ZINC000003275858 560591245 /nfs/dbraw/zinc/59/12/45/560591245.db2.gz VDDLRDFVYNWPPZ-UHFFFAOYSA-N 0 0 415.276 4.826 50 0 HJAARN O=C(CSc1ncnc2sc3c(c21)CCC3)Nc1ccccc1OC(F)F ZINC000003289388 560591696 /nfs/dbraw/zinc/59/16/96/560591696.db2.gz GIYHKNGUVAVWJQ-UHFFFAOYSA-N 0 0 407.467 4.512 50 0 HJAARN C[C@H](NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)c1ccccc1 ZINC000003309176 560591907 /nfs/dbraw/zinc/59/19/07/560591907.db2.gz 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560594297 /nfs/dbraw/zinc/59/42/97/560594297.db2.gz VNXBNJMSCVVRMA-UHFFFAOYSA-N 0 0 422.356 4.899 50 0 HJAARN COc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2CC(C)C)cc1 ZINC000003494851 560595783 /nfs/dbraw/zinc/59/57/83/560595783.db2.gz WUVAHAYZZYXFHG-KRWDZBQOSA-N 0 0 424.570 4.579 50 0 HJAARN Cc1cc2oc(=O)cc(COC(=O)c3cc(=O)c4ccccc4o3)c2cc1C(C)C ZINC000003513425 560595989 /nfs/dbraw/zinc/59/59/89/560595989.db2.gz ZAPXUJWHIFSROE-UHFFFAOYSA-N 0 0 404.418 4.688 50 0 HJAARN COc1ccc(-c2nnc(SCCCC(=O)c3ccc(F)cc3)o2)cc1OC ZINC000007979878 560596335 /nfs/dbraw/zinc/59/63/35/560596335.db2.gz YSEVSHLHCMQTLY-UHFFFAOYSA-N 0 0 402.447 4.648 50 0 HJAARN Cc1oc2cc(OCC(=O)N[C@H]3CCCC[C@@H]3C)ccc2c(=O)c1-c1ccccc1 ZINC000005497963 560598153 /nfs/dbraw/zinc/59/81/53/560598153.db2.gz RDUQITYXBDNZHB-KKSFZXQISA-N 0 0 405.494 4.842 50 0 HJAARN CCOC(=O)c1c(NC(=O)c2cc(F)c(F)c(F)c2F)sc2c1CCCC2 ZINC000005506073 560598931 /nfs/dbraw/zinc/59/89/31/560598931.db2.gz PVPZFGUWRRMUSU-UHFFFAOYSA-N 0 0 401.381 4.612 50 0 HJAARN CCCn1c(C)cc(C(=O)COC(=O)CSc2cc(C)c3ccccc3n2)c1C ZINC000004297441 560604889 /nfs/dbraw/zinc/60/48/89/560604889.db2.gz IVRLEQHKKMSYSU-UHFFFAOYSA-N 0 0 410.539 4.890 50 0 HJAARN COc1cc(-c2nn(CNc3ccc(Cl)cc3)c(=S)o2)cc(OC)c1OC ZINC000005526636 560605032 /nfs/dbraw/zinc/60/50/32/560605032.db2.gz ITSRWCPSQDVKOR-UHFFFAOYSA-N 0 0 407.879 4.621 50 0 HJAARN CCOc1ccc(-n2c(SCC(=O)c3ccc[nH]3)nnc2-c2cccc(C)c2)cc1 ZINC000004404959 560606722 /nfs/dbraw/zinc/60/67/22/560606722.db2.gz MGDHVWOWSYZTPT-UHFFFAOYSA-N 0 0 418.522 4.945 50 0 HJAARN CC(C)c1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1 ZINC000005576377 560624536 /nfs/dbraw/zinc/62/45/36/560624536.db2.gz QTFJEIGAQLCGEY-UHFFFAOYSA-N 0 0 403.511 4.670 50 0 HJAARN O[C@H](COc1ccccc1Cl)Cn1c(COc2ccccc2)nc2ccccc21 ZINC000005595019 560628438 /nfs/dbraw/zinc/62/84/38/560628438.db2.gz UKPCPKIDZPJAAD-KRWDZBQOSA-N 0 0 408.885 4.709 50 0 HJAARN CCOc1ccc(N[C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)cc1CO ZINC000062581347 560631974 /nfs/dbraw/zinc/63/19/74/560631974.db2.gz CEBRRYRPPLQCDC-XMMPIXPASA-N 0 0 420.509 4.687 50 0 HJAARN CCc1ccc(OCC(=O)Nc2cc3nn(-c4ccc(C)cc4)nc3cc2C)cc1 ZINC000005657811 560636918 /nfs/dbraw/zinc/63/69/18/560636918.db2.gz SABDLGIGDCDROF-UHFFFAOYSA-N 0 0 400.482 4.617 50 0 HJAARN COc1cc(C)c(NC(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2C)cc1OC ZINC000008769429 560638495 /nfs/dbraw/zinc/63/84/95/560638495.db2.gz MMNFOAUTNRNINZ-ZHACJKMWSA-N 0 0 409.461 4.606 50 0 HJAARN CC(=O)c1ccc(NC(=O)Cc2c(C)c3cc4c(cc3oc2=O)OC(C)(C)CC4)cc1 ZINC000008791712 560638705 /nfs/dbraw/zinc/63/87/05/560638705.db2.gz UYECVUPKVJJJSK-UHFFFAOYSA-N 0 0 419.477 4.589 50 0 biogenic HJAARN C[C@@H]1CCCN(c2nc3c(cnn3-c3ccccc3)c(Nc3ccc(F)cc3)n2)C1 ZINC000017245743 560705432 /nfs/dbraw/zinc/70/54/32/560705432.db2.gz IBLXPJGIPVKXMB-MRXNPFEDSA-N 0 0 402.477 4.935 50 0 HJAARN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nc3ccccc3[nH]2)c1 ZINC000017303945 560707117 /nfs/dbraw/zinc/70/71/17/560707117.db2.gz WTJHVPQBBMYMBJ-UHFFFAOYSA-N 0 0 409.449 4.677 50 0 HJAARN Cc1cccc(OCC(=O)Nc2cc(C)c(I)cc2C)c1C ZINC000002851827 560732512 /nfs/dbraw/zinc/73/25/12/560732512.db2.gz FWPBUIDQULBARP-UHFFFAOYSA-N 0 0 409.267 4.542 50 0 HJAARN CCn1c(C)cc(C(=O)COC(=O)c2cccc(OCc3csc(C)n3)c2)c1C ZINC000017737632 560724409 /nfs/dbraw/zinc/72/44/09/560724409.db2.gz HZSCSGGBJRNHQU-UHFFFAOYSA-N 0 0 412.511 4.508 50 0 HJAARN COc1cc(CO)cc(I)c1OCc1ccc2ccccc2c1 ZINC000000664670 560725065 /nfs/dbraw/zinc/72/50/65/560725065.db2.gz ZXPXSHIYMHSQHQ-UHFFFAOYSA-N 0 0 420.246 4.524 50 0 HJAARN Cc1cc(Br)c(NC(=O)C(Cl)(Cl)Cl)c(Br)c1 ZINC000001048909 560726897 /nfs/dbraw/zinc/72/68/97/560726897.db2.gz SMCZHOOTXAYWDS-UHFFFAOYSA-N 0 0 410.320 4.829 50 0 HJAARN CCCCOc1ccc(NC(=O)NCc2ccc([C@@H](O)c3ccco3)s2)cc1 ZINC000206689109 560729705 /nfs/dbraw/zinc/72/97/05/560729705.db2.gz DJGIMNYYWBSAKE-FQEVSTJZSA-N 0 0 400.500 4.923 50 0 HJAARN CCOC(=O)/C=C\c1ccc(NC(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000051042264 560729844 /nfs/dbraw/zinc/72/98/44/560729844.db2.gz DJRKKQCHDFUZNU-RMHQSFGDSA-N 0 0 418.497 4.551 50 0 HJAARN CCCCOC(=O)c1ccc(NC(=O)c2ccccc2I)cc1 ZINC000002746014 560732013 /nfs/dbraw/zinc/73/20/13/560732013.db2.gz QLROOVDMAKUAHE-UHFFFAOYSA-N 0 0 423.250 4.500 50 0 HJAARN O=C(Oc1cccc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)c1)c1ccccc1F ZINC000002990827 560732570 /nfs/dbraw/zinc/73/25/70/560732570.db2.gz WYKHTEPQDBJSLB-DEDYPNTBSA-N 0 0 405.356 4.529 50 0 HJAARN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccccc1Br ZINC000014731717 560746422 /nfs/dbraw/zinc/74/64/22/560746422.db2.gz RMGAWEYFAFGMNM-UHFFFAOYSA-N 0 0 407.214 4.954 50 0 HJAARN O=C(CCc1ccc(Cl)c(Cl)c1)NC[C@@H]1CCCN1c1nc2ccccc2o1 ZINC000206772716 560746517 /nfs/dbraw/zinc/74/65/17/560746517.db2.gz NMIHXPSAJAPSFZ-HNNXBMFYSA-N 0 0 418.324 4.852 50 0 HJAARN COc1ccc(CNC(=O)N2CCCC[C@H](c3ccc(Cl)cc3)C2)cc1OC ZINC000206881652 560748987 /nfs/dbraw/zinc/74/89/87/560748987.db2.gz JRYJXNVVZXLEMH-SFHVURJKSA-N 0 0 402.922 4.837 50 0 HJAARN CCOc1c(Cl)cc(/C=C2/N=C(c3ccccc3OC(F)F)OC2=O)cc1OC ZINC000097987617 560758057 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COc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1OC ZINC000018120475 560777684 /nfs/dbraw/zinc/77/76/84/560777684.db2.gz DBRAYNCMXAFDST-UHFFFAOYSA-N 0 0 408.420 4.504 50 0 HJAARN COc1ccc(OC)c(NC=C2c3ccccc3C(=O)N(c3ccc(C)cc3)C2=O)c1 ZINC000018155434 560780325 /nfs/dbraw/zinc/78/03/25/560780325.db2.gz RKDQLWZLTXISTQ-RCCKNPSSSA-N 0 0 414.461 4.652 50 0 HJAARN COc1ccc([C@H]2CC(=O)c3cc4c(C)nn(-c5ccccc5)c4nc3C2)cc1OC ZINC000018197800 560783414 /nfs/dbraw/zinc/78/34/14/560783414.db2.gz FCTFCKQCAFQJKE-QGZVFWFLSA-N 0 0 413.477 4.659 50 0 HJAARN CCOc1cc(/C=C/C(=O)Nc2ccccc2N2CCOCC2)ccc1OCC(C)C ZINC000013041815 560792062 /nfs/dbraw/zinc/79/20/62/560792062.db2.gz RGRZQWISAWNOMW-ZRDIBKRKSA-N 0 0 424.541 4.609 50 0 HJAARN CCn1c(C[C@H]2c3cc(C)ccc3N(Cc3ccccc3)C2=O)nc2ccccc2c1=O ZINC000101413382 560794456 /nfs/dbraw/zinc/79/44/56/560794456.db2.gz JJOUVTSXJBNXLD-QFIPXVFZSA-N 0 0 423.516 4.598 50 0 HJAARN CC(=O)Nc1ccc([C@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CCC3)cc1 ZINC000101500603 560796496 /nfs/dbraw/zinc/79/64/96/560796496.db2.gz AMQYHKDJOMZQIJ-HXUWFJFHSA-N 0 0 414.465 4.750 50 0 HJAARN CC(C)(C)c1ccc(-c2nc3[nH]c(CNc4ccccc4Cl)cc(=O)n3n2)cc1 ZINC000101747832 560800183 /nfs/dbraw/zinc/80/01/83/560800183.db2.gz KECRLKSSXCHRIE-UHFFFAOYSA-N 0 0 407.905 4.648 50 0 HJAARN O=C(CN1c2ccccc2N=C2CCC[C@@H]2C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000101947043 560805639 /nfs/dbraw/zinc/80/56/39/560805639.db2.gz QMFZHYFWSHSURF-HNNXBMFYSA-N 0 0 401.388 4.563 50 0 HJAARN O=C(NCCc1ccccc1)Nc1c(=O)oc2ccccc2c1NC1CCCCC1 ZINC000102201185 560808623 /nfs/dbraw/zinc/80/86/23/560808623.db2.gz MVSIJTRDZXOLIL-UHFFFAOYSA-N 0 0 405.498 4.902 50 0 HJAARN C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000102528480 560816508 /nfs/dbraw/zinc/81/65/08/560816508.db2.gz XCDZWZPYDMEQGF-SUNYJGFJSA-N 0 0 402.539 4.595 50 0 HJAARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccccc3C)C2)cc1OC ZINC000102656890 560819105 /nfs/dbraw/zinc/81/91/05/560819105.db2.gz NZCIRJWRJSEJSZ-WAIKUNEKSA-N 0 0 416.481 4.669 50 0 HJAARN CCOc1cc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCC)nn32)ccc1O ZINC000102661418 560819330 /nfs/dbraw/zinc/81/93/30/560819330.db2.gz HEUVIMOXGDTZIZ-SFHVURJKSA-N 0 0 414.531 4.802 50 0 HJAARN CCSc1nc2n(n1)[C@@H](c1ccc(OC)c(OC)c1)C1C(=O)CC(C)(C)CC1=N2 ZINC000102665226 560819395 /nfs/dbraw/zinc/81/93/95/560819395.db2.gz ASKFCEHWULLGRB-SFHVURJKSA-N 0 0 414.531 4.715 50 0 HJAARN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000102702818 560820354 /nfs/dbraw/zinc/82/03/54/560820354.db2.gz NCMXLZBQFZUUHH-FDFHNCONSA-N 0 0 418.880 4.700 50 0 HJAARN CC[C@@H](C)[C@H](NC(=O)c1ccccc1Cl)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000102830655 560829731 /nfs/dbraw/zinc/82/97/31/560829731.db2.gz IOKDPLODLCELGJ-XIKOKIGWSA-N 0 0 413.861 4.636 50 0 HJAARN COc1ccccc1[C@@H]1Nc2nonc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C21 ZINC000102839052 560829914 /nfs/dbraw/zinc/82/99/14/560829914.db2.gz JOYAOJMRORJKQS-RBZFPXEDSA-N 0 0 406.417 4.846 50 0 HJAARN COc1ccc(NC=C2c3ccc(OC)cc3C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000102942226 560835740 /nfs/dbraw/zinc/83/57/40/560835740.db2.gz INCRLLGLLXCTLN-HZHRSRAPSA-N 0 0 414.461 4.652 50 0 HJAARN COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)CC(C)C)N(Cc1ccc(C)cc1)CC2 ZINC000103051851 560837023 /nfs/dbraw/zinc/83/70/23/560837023.db2.gz YXVFQXNSKOUGRN-AFMDSPMNSA-N 0 0 424.585 4.662 50 0 HJAARN COc1ccc(OC)c(-c2csc(NC(=O)c3nc(Cl)ccc3Cl)n2)c1 ZINC000014791662 560851337 /nfs/dbraw/zinc/85/13/37/560851337.db2.gz QUQHRDJAFJGGOD-UHFFFAOYSA-N 0 0 410.282 4.781 50 0 HJAARN O=C(OCc1nc(-c2ccc(Br)cc2)no1)c1cc(Cl)ccc1F ZINC000051315149 560855756 /nfs/dbraw/zinc/85/57/56/560855756.db2.gz KBCDWURNVSWQPW-UHFFFAOYSA-N 0 0 411.614 4.649 50 0 HJAARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4Cc5c(c(C)nn5C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000105363832 560870942 /nfs/dbraw/zinc/87/09/42/560870942.db2.gz LFSRWPRCKLPVBQ-RMQJBDDHSA-N 0 0 410.558 4.760 50 0 biogenic HJAARN CCOC(=O)c1sc2cccc(F)c2c1CSc1nnc(-c2ccc[nH]2)o1 ZINC000018367547 560872507 /nfs/dbraw/zinc/87/25/07/560872507.db2.gz HAVLYXXOFLPHNU-UHFFFAOYSA-N 0 0 403.460 4.888 50 0 HJAARN CCCCOc1ccc(-c2cc(-c3nc(-c4ccc(OC)cc4OC)no3)n[nH]2)cc1 ZINC000046913939 560878987 /nfs/dbraw/zinc/87/89/87/560878987.db2.gz OIPJYYACQMLGNW-UHFFFAOYSA-N 0 0 420.469 4.990 50 0 HJAARN O=C(N[C@H](c1cccs1)c1ccccc1)c1ccccc1I ZINC000020018848 560880152 /nfs/dbraw/zinc/88/01/52/560880152.db2.gz FOBHSWJTBQXLKL-KRWDZBQOSA-N 0 0 419.287 4.872 50 0 HJAARN Cc1ccc(Cn2c(CNC(=O)c3ccccc3C(F)(F)F)nc3cccnc32)cc1 ZINC000047145612 560882217 /nfs/dbraw/zinc/88/22/17/560882217.db2.gz IDYYVHYUHHLZKD-UHFFFAOYSA-N 0 0 424.426 4.737 50 0 HJAARN Cc1nn(Cc2ccccc2Cl)c2nc(-c3ccn(C)n3)cc(C(F)(F)F)c12 ZINC000020604615 560885806 /nfs/dbraw/zinc/88/58/06/560885806.db2.gz VITDGKJFTRWCNJ-UHFFFAOYSA-N 0 0 405.811 4.861 50 0 HJAARN Cc1ccnn1C[C@@H](C)CNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1 ZINC000020617502 560885921 /nfs/dbraw/zinc/88/59/21/560885921.db2.gz XXINHXXBJAQAFL-SFHVURJKSA-N 0 0 414.553 4.877 50 0 HJAARN Cc1cccc(OCCSc2nc3ccccc3n2CC(=O)N2CCC(C)CC2)c1 ZINC000012062367 560888037 /nfs/dbraw/zinc/88/80/37/560888037.db2.gz IYEKFUXXFGOAAE-UHFFFAOYSA-N 0 0 423.582 4.774 50 0 HJAARN Cc1ccc(-c2nccc(N3CCC[C@@H](C(=O)N[C@H](C)c4ccc(C)cc4)C3)n2)cc1 ZINC000106329428 560889975 /nfs/dbraw/zinc/88/99/75/560889975.db2.gz FZXINYXLGSBQNE-NFBKMPQASA-N 0 0 414.553 4.854 50 0 HJAARN CCn1c2ccc(Br)cc2s/c1=N/C(=O)c1ccc2ncsc2c1 ZINC000012180859 560890990 /nfs/dbraw/zinc/89/09/90/560890990.db2.gz VONTWJQLGYJVRS-LVZFUZTISA-N 0 0 418.341 4.836 50 0 HJAARN COc1cc(Nc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)nc(C)n1 ZINC000012225273 560893947 /nfs/dbraw/zinc/89/39/47/560893947.db2.gz OYGRIEKKFTWERS-UHFFFAOYSA-N 0 0 402.376 4.808 50 0 HJAARN CCOc1ccc(C(=O)NC[C@H](c2cccs2)N2CCc3ccccc3C2)cc1 ZINC000022907791 568416151 /nfs/dbraw/zinc/41/61/51/568416151.db2.gz CPCODUCNHPYYQP-JOCHJYFZSA-N 0 0 406.551 4.676 50 0 HJAARN O=C(COC(=O)c1ccc(F)c(Cl)c1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000051354021 568418966 /nfs/dbraw/zinc/41/89/66/568418966.db2.gz JXNYHSJZBWMBOU-UHFFFAOYSA-N 0 0 410.150 4.947 50 0 HJAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000046044007 568424865 /nfs/dbraw/zinc/42/48/65/568424865.db2.gz VIXSAWPOOLMBJN-CQSZACIVSA-N 0 0 410.823 4.850 50 0 HJAARN CCc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000046043974 568424873 /nfs/dbraw/zinc/42/48/73/568424873.db2.gz XOWUCOQVNILBLU-QGZVFWFLSA-N 0 0 404.432 4.759 50 0 HJAARN CCc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)c1 ZINC000046043953 568424882 /nfs/dbraw/zinc/42/48/82/568424882.db2.gz ZRDKBOILSURVFU-KRWDZBQOSA-N 0 0 404.432 4.759 50 0 HJAARN Cc1ccc(C)c(C(=O)c2cn(Cc3cccc(F)c3)c3nc(C)ccc3c2=O)c1 ZINC000046053772 568425488 /nfs/dbraw/zinc/42/54/88/568425488.db2.gz OQVMZQFXSWYPAT-UHFFFAOYSA-N 0 0 400.453 4.740 50 0 HJAARN CCOc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 ZINC000046078465 568427415 /nfs/dbraw/zinc/42/74/15/568427415.db2.gz AHEDQIRMZVNCKS-UHFFFAOYSA-N 0 0 400.478 4.931 50 0 HJAARN CCOC(=O)/C=C/c1ccc(NC(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000048066056 568431836 /nfs/dbraw/zinc/43/18/36/568431836.db2.gz DJRKKQCHDFUZNU-BJRSVTDJSA-N 0 0 418.497 4.551 50 0 HJAARN Cn1c2ccccc2c(Br)c1C(=O)Nc1nc2c(s1)CCCCC2 ZINC000048272197 568433996 /nfs/dbraw/zinc/43/39/96/568433996.db2.gz NLQUGIZOZLPZTN-UHFFFAOYSA-N 0 0 404.333 4.919 50 0 HJAARN O=C(C1CCN(c2ccc(Cl)cn2)CC1)N(Cc1ccco1)c1cccc(F)c1 ZINC000048275732 568435459 /nfs/dbraw/zinc/43/54/59/568435459.db2.gz JWYCLVFWYOSUKC-UHFFFAOYSA-N 0 0 413.880 4.917 50 0 HJAARN Cc1cc(CSc2ncccc2C(=O)NCCOc2ccc(C(C)C)cc2)no1 ZINC000048333748 568439648 /nfs/dbraw/zinc/43/96/48/568439648.db2.gz IZSOUMOEUIMAER-UHFFFAOYSA-N 0 0 411.527 4.603 50 0 HJAARN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1cccc(Cl)c1C ZINC000048375387 568442420 /nfs/dbraw/zinc/44/24/20/568442420.db2.gz QJTBYPLRZLKKGS-KRWDZBQOSA-N 0 0 407.297 4.554 50 0 HJAARN Cc1cccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccccc3)no2)c1 ZINC000049001759 568443825 /nfs/dbraw/zinc/44/38/25/568443825.db2.gz ZQJHRVRQKLUCDU-UHFFFAOYSA-N 0 0 411.508 4.599 50 0 HJAARN O=C(CSc1ncnc2c(-c3ccccc3)c[nH]c21)NCc1ccc(Cl)cc1 ZINC000048988700 568444185 /nfs/dbraw/zinc/44/41/85/568444185.db2.gz OBCWKQOEMAXBDF-UHFFFAOYSA-N 0 0 408.914 4.687 50 0 HJAARN CC(=O)c1ccc(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc32)cc1 ZINC000049004725 568446832 /nfs/dbraw/zinc/44/68/32/568446832.db2.gz OGDFZKVBUGUQSC-UHFFFAOYSA-N 0 0 402.498 4.901 50 0 HJAARN O=C(CSc1nccc(N2CCCCC2)n1)Nc1ccc(Oc2ccccc2)cc1 ZINC000049399580 568447372 /nfs/dbraw/zinc/44/73/72/568447372.db2.gz LXUMKQFAOUSEAA-UHFFFAOYSA-N 0 0 420.538 4.990 50 0 HJAARN CCCCCNC(=O)C1CCN(c2cc(Sc3cc(C)ccc3C)ncn2)CC1 ZINC000049402002 568448025 /nfs/dbraw/zinc/44/80/25/568448025.db2.gz TZROZEOYLNQRNR-UHFFFAOYSA-N 0 0 412.603 4.767 50 0 HJAARN O=C(Cn1cc(C(=O)c2ccccc2)c(=O)c2cc(Cl)ccc21)Nc1ccccc1 ZINC000049421472 568450718 /nfs/dbraw/zinc/45/07/18/568450718.db2.gz YCQUKRSYQJIVMX-UHFFFAOYSA-N 0 0 416.864 4.525 50 0 HJAARN C[C@@H]1CCCN(c2c3ccccc3ncc2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000049421520 568450728 /nfs/dbraw/zinc/45/07/28/568450728.db2.gz QOXMLUJAMAFJDY-OAHLLOKOSA-N 0 0 400.931 4.957 50 0 HJAARN Cc1cccc(NC(=O)c2cn(Cc3ccc(NC(=O)c4ccccc4)cc3)cn2)c1 ZINC000049422209 568450760 /nfs/dbraw/zinc/45/07/60/568450760.db2.gz RNELERCAEXNPIU-UHFFFAOYSA-N 0 0 410.477 4.744 50 0 HJAARN O=C(NCc1cccs1)N1CCC(Oc2nc3c(cccc3Cl)s2)CC1 ZINC000049443149 568451009 /nfs/dbraw/zinc/45/10/09/568451009.db2.gz MARGPEYAZQGCBB-UHFFFAOYSA-N 0 0 407.948 4.764 50 0 HJAARN Cn1c(=O)sc2c1N(c1ccc(F)cc1)C(=O)C[C@H]2c1c(F)cccc1Cl ZINC000049544091 568451265 /nfs/dbraw/zinc/45/12/65/568451265.db2.gz DPTZRIAWYASWGZ-LBPRGKRZSA-N 0 0 406.841 4.579 50 0 HJAARN O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1ccc(Br)cc1 ZINC000000850364 568457510 /nfs/dbraw/zinc/45/75/10/568457510.db2.gz UGCXCZFXWSAJMM-UHFFFAOYSA-N 0 0 424.707 4.883 50 0 HJAARN Cc1cc(C)c(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccccc3C)C2=O)c(C)c1 ZINC000006732330 568458019 /nfs/dbraw/zinc/45/80/19/568458019.db2.gz BVLYXJDNJCSZGV-MHZLTWQESA-N 0 0 413.517 4.928 50 0 HJAARN CCOc1ccc(NC(=O)[C@H](CC)n2nc(-c3ccc(C)c(C)c3)ccc2=O)cc1 ZINC000006767833 568459125 /nfs/dbraw/zinc/45/91/25/568459125.db2.gz OINARIFYQHEYLC-QFIPXVFZSA-N 0 0 405.498 4.516 50 0 HJAARN Cc1cc(F)ccc1NC(=O)c1sc2nc(-c3ccc4c(c3)OCO4)ccc2c1N ZINC000000661442 568460160 /nfs/dbraw/zinc/46/01/60/568460160.db2.gz DYYWNRMQANIWTL-UHFFFAOYSA-N 0 0 421.453 4.974 50 0 HJAARN CN(C)C(=O)[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)c1ccccc1 ZINC000006847065 568461257 /nfs/dbraw/zinc/46/12/57/568461257.db2.gz YRPJPEGKYNHICK-IBGZPJMESA-N 0 0 408.571 4.701 50 0 HJAARN COc1ccc(C(=O)Nc2nc(-c3cccc(Br)c3)cs2)c(OC)c1 ZINC000000676091 568461371 /nfs/dbraw/zinc/46/13/71/568461371.db2.gz NFTFDAWMEFLMPQ-UHFFFAOYSA-N 0 0 419.300 4.842 50 0 HJAARN CCCc1ccc(-c2c(C)sc(NC(=O)c3cnccn3)c2C(=O)OCC)cc1 ZINC000000679860 568461415 /nfs/dbraw/zinc/46/14/15/568461415.db2.gz XQFPOOXGFPFZCN-UHFFFAOYSA-N 0 0 409.511 4.895 50 0 HJAARN C=Cc1ccc(Cn2c3c4cc(C)ccc4n(C)c3c(=O)n(-c3ccccc3)c2=O)cc1 ZINC000006900392 568463379 /nfs/dbraw/zinc/46/33/79/568463379.db2.gz YXJWPSCOQBMOLS-UHFFFAOYSA-N 0 0 421.500 4.644 50 0 HJAARN COc1ccccc1[C@H]1CC(c2ccc(C)cc2)=NN1S(=O)(=O)c1ccccc1 ZINC000000710113 568464798 /nfs/dbraw/zinc/46/47/98/568464798.db2.gz UDFONKSIVYGTHL-JOCHJYFZSA-N 0 0 406.507 4.544 50 0 HJAARN O=S(=O)(c1ccc(Br)cc1)N1CCS[C@H]1c1ccc(Cl)cc1 ZINC000000713692 568465069 /nfs/dbraw/zinc/46/50/69/568465069.db2.gz PJAVOUZPJCYLGJ-HNNXBMFYSA-N 0 0 418.765 4.539 50 0 HJAARN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Oc1ccc2c(c1)OCO2 ZINC000021743383 568467909 /nfs/dbraw/zinc/46/79/09/568467909.db2.gz VVDQKRAKLVOFMQ-UHFFFAOYSA-N 0 0 403.843 4.632 50 0 HJAARN CCc1cccc2c(C(=O)CSc3nnc(-c4cccnc4)n3C3CC3)c[nH]c21 ZINC000008075220 568490215 /nfs/dbraw/zinc/49/02/15/568490215.db2.gz CCRROALGVLPVJE-UHFFFAOYSA-N 0 0 403.511 4.694 50 0 HJAARN CN(Cc1ccccc1N1CCCC1)C(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000008193746 568492749 /nfs/dbraw/zinc/49/27/49/568492749.db2.gz DBPVKPXMKDSSQU-UHFFFAOYSA-N 0 0 400.526 4.622 50 0 HJAARN COc1ccc(CN(C(=O)/C=C/c2cc(Br)ccc2F)C2CC2)cc1 ZINC000008164636 568493423 /nfs/dbraw/zinc/49/34/23/568493423.db2.gz KISJYKMJNVIOTE-NYYWCZLTSA-N 0 0 404.279 4.801 50 0 HJAARN O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1ccc(-n2cncn2)cc1 ZINC000008229683 568494366 /nfs/dbraw/zinc/49/43/66/568494366.db2.gz UCADWUDIBOMDKS-UHFFFAOYSA-N 0 0 401.495 4.522 50 0 HJAARN COCCOc1cc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)ccc1OC ZINC000024938472 568496430 /nfs/dbraw/zinc/49/64/30/568496430.db2.gz ZMUNCAXTLSAFQO-UHFFFAOYSA-N 0 0 401.459 4.840 50 0 HJAARN Cc1ccc2c(COC(=O)CCC(=O)c3ccc4c(c3)CCCC4)cc(=O)oc2c1 ZINC000008326540 568497045 /nfs/dbraw/zinc/49/70/45/568497045.db2.gz WBTFLPIGMRNWDV-UHFFFAOYSA-N 0 0 404.462 4.687 50 0 HJAARN COc1cc(CN(C)C(=O)c2cccc(NC(C)=O)c2)ccc1OCc1ccccc1 ZINC000008327443 568497105 /nfs/dbraw/zinc/49/71/05/568497105.db2.gz BWXVHCRGYHLDAP-UHFFFAOYSA-N 0 0 418.493 4.505 50 0 HJAARN COc1cc(CN[C@@H](C)c2ccccc2Br)cc(OC)c1OC(F)F ZINC000022777787 568499529 /nfs/dbraw/zinc/49/95/29/568499529.db2.gz QNBVUDQYBYYCEX-NSHDSACASA-N 0 0 416.262 4.919 50 0 HJAARN O=C(Nc1ccc(Cl)cc1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000000827096 568499608 /nfs/dbraw/zinc/49/96/08/568499608.db2.gz MSDAWFCZKULMBB-UHFFFAOYSA-N 0 0 406.751 4.914 50 0 HJAARN Cc1cccc(COC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)c1 ZINC000012357368 568502798 /nfs/dbraw/zinc/50/27/98/568502798.db2.gz KEBRSBCFHJMGCG-NRFANRHFSA-N 0 0 418.518 4.622 50 0 HJAARN O=S(=O)(c1ccccc1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1Cl ZINC000012361514 568509603 /nfs/dbraw/zinc/50/96/03/568509603.db2.gz MGFGCBGISQWCOP-IBGZPJMESA-N 0 0 407.322 4.589 50 0 HJAARN CCCCc1c(C)nn(-c2nc(CC(=O)Nc3ccc(N(C)C)cc3)cs2)c1C ZINC000033004509 568510641 /nfs/dbraw/zinc/51/06/41/568510641.db2.gz CPYCVCJJPLSVAK-UHFFFAOYSA-N 0 0 411.575 4.535 50 0 HJAARN COC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)CN(Cc2ccccc2)C3)cc1 ZINC000033140104 568511462 /nfs/dbraw/zinc/51/14/62/568511462.db2.gz AQKZJMFESRHNJF-UHFFFAOYSA-N 0 0 401.466 4.633 50 0 HJAARN Cc1ccc2[nH]c3c(ncnc3SCC(=O)Nc3ccc(Cl)cc3F)c2c1 ZINC000033172540 568511692 /nfs/dbraw/zinc/51/16/92/568511692.db2.gz PHUZFBXKPJXUCF-UHFFFAOYSA-N 0 0 400.866 4.943 50 0 HJAARN CCc1ccc(NC(=O)c2cn(-c3ccc(-c4noc(C5CC5)n4)cc3)nc2C)cc1 ZINC000033258656 568512779 /nfs/dbraw/zinc/51/27/79/568512779.db2.gz GBKKJXGPDCCWHY-UHFFFAOYSA-N 0 0 413.481 4.923 50 0 HJAARN CCCOc1ccc(-c2noc(Cc3nc(-c4ccc5c(c4)OCO5)cs3)n2)cc1 ZINC000033298242 568513138 /nfs/dbraw/zinc/51/31/38/568513138.db2.gz UHXCCUDLJXYMAL-UHFFFAOYSA-N 0 0 421.478 4.968 50 0 HJAARN Cc1ccc(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c(C)c1 ZINC000000835083 568513426 /nfs/dbraw/zinc/51/34/26/568513426.db2.gz HZNXNEMILPYSTN-UHFFFAOYSA-N 0 0 408.523 4.522 50 0 HJAARN COC(=O)c1occc1CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 ZINC000024972806 568516427 /nfs/dbraw/zinc/51/64/27/568516427.db2.gz JGIHWHLBJZESBW-UHFFFAOYSA-N 0 0 423.469 4.804 50 0 HJAARN O=C1N(Cc2ccccc2Cl)c2ccccc2[C@@]1(O)[C@H]1CCc2ccccc2C1=O ZINC000012377420 568551876 /nfs/dbraw/zinc/55/18/76/568551876.db2.gz ZHTXYUBDBDHKCN-NBGIEHNGSA-N 0 0 417.892 4.520 50 0 HJAARN CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 ZINC000027646903 568573672 /nfs/dbraw/zinc/57/36/72/568573672.db2.gz RYMZZMVNJRMUDD-IVCFZKKKSA-N 0 0 418.574 4.586 50 0 HJAARN O=S(=O)(NCc1ccco1)c1nc(-c2ccccc2)oc1-c1ccc(Cl)cc1 ZINC000606422350 568590601 /nfs/dbraw/zinc/59/06/01/568590601.db2.gz OWCWJYQKSZFARG-UHFFFAOYSA-N 0 0 414.870 4.734 50 0 HJAARN Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(C)cc2)N2CCN(C)CC2)c1C ZINC000020192880 568593627 /nfs/dbraw/zinc/59/36/27/568593627.db2.gz QPMRIGGEHMPDDV-QFIPXVFZSA-N 0 0 423.582 4.855 50 0 HJAARN COc1ccc(C(=O)OC2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000020219074 568594972 /nfs/dbraw/zinc/59/49/72/568594972.db2.gz MDAXMXGTGSDSPX-UHFFFAOYSA-N 0 0 414.811 4.588 50 0 HJAARN COc1cccc(/N=c2\oc3cc(OC)ccc3cc2S(=O)(=O)c2ccccc2)c1 ZINC000020285664 568597082 /nfs/dbraw/zinc/59/70/82/568597082.db2.gz OWXSLJBJLOIOMF-VHXPQNKSSA-N 0 0 421.474 4.515 50 0 HJAARN Cc1ccc(C)c(N2CCN(c3ncnc4onc(-c5ccc(Cl)cc5)c43)CC2)c1 ZINC000020329981 568599233 /nfs/dbraw/zinc/59/92/33/568599233.db2.gz IDNLMBXMMGKLRW-UHFFFAOYSA-N 0 0 419.916 4.882 50 0 HJAARN COc1ccc([C@@H]2N=C(c3ccccc3O)C[C@@H](c3cc(OC)ccc3OC)N2)cc1 ZINC000080325074 568601560 /nfs/dbraw/zinc/60/15/60/568601560.db2.gz XLOIZIFVKKWIGH-WIOPSUGQSA-N 0 0 418.493 4.641 50 0 HJAARN C[C@@H]1CCCN(c2c3cc(Cl)ccc3ncc2S(=O)(=O)c2ccccc2)C1 ZINC000020381074 568602739 /nfs/dbraw/zinc/60/27/39/568602739.db2.gz VKUYAMQBJBIOQZ-OAHLLOKOSA-N 0 0 400.931 4.957 50 0 HJAARN CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2C[C@@H](C)OC(C)(C)C2)cc1 ZINC000095377511 568603296 /nfs/dbraw/zinc/60/32/96/568603296.db2.gz ZTNAVOHAHHBOGF-OAHLLOKOSA-N 0 0 400.544 4.763 50 0 HJAARN C[C@]1(C(=O)NC2CCCCCCC2)Cc2ccccc2C(=O)N1Cc1ccccc1 ZINC000020387235 568603515 /nfs/dbraw/zinc/60/35/15/568603515.db2.gz TZYHDYABKUWXNW-AREMUKBSSA-N 0 0 404.554 4.873 50 0 HJAARN C[C@@]1(C(=O)NC2CCCCC2)Cc2ccccc2C(=O)N1CCc1ccc(Cl)cc1 ZINC000020387343 568603517 /nfs/dbraw/zinc/60/35/17/568603517.db2.gz HOUOVLTYYLWMQQ-VWLOTQADSA-N 0 0 424.972 4.789 50 0 HJAARN CCc1ccc([C@@H]2CCCCCN2C(=O)c2nn(-c3ccccc3F)c(C)cc2=O)o1 ZINC000095399681 568604847 /nfs/dbraw/zinc/60/48/47/568604847.db2.gz IJLDHKKLTBJSSN-FQEVSTJZSA-N 0 0 423.488 4.593 50 0 HJAARN COc1ccccc1-c1nn(CCC(=O)N2C[C@H](C)C[C@@H](C)C2)c2nc(C)cc(C)c12 ZINC000020437674 568607241 /nfs/dbraw/zinc/60/72/41/568607241.db2.gz DIVCZKZPMOEECO-IAGOWNOFSA-N 0 0 420.557 4.618 50 0 HJAARN CCCCN(C)C(=O)/C(=C/c1cn(CC)c2ccccc12)NC(=O)c1ccccc1 ZINC000020438762 568607396 /nfs/dbraw/zinc/60/73/96/568607396.db2.gz AAQISTNSXUIHLV-XLNRJJMWSA-N 0 0 403.526 4.691 50 0 HJAARN Cc1nc2cc(NC(=O)[C@@H]3CCC[C@@H]3C(=O)Nc3ccc4oc(C)nc4c3)ccc2o1 ZINC000095441918 568611080 /nfs/dbraw/zinc/61/10/80/568611080.db2.gz OUYUEEKXSORJAM-CALCHBBNSA-N 0 0 418.453 4.579 50 0 HJAARN CC(C)c1cc(Br)ccc1NC(=O)C1CCN(CC(F)(F)F)CC1 ZINC000095444931 568611625 /nfs/dbraw/zinc/61/16/25/568611625.db2.gz FTFUUZVNSQBPFT-UHFFFAOYSA-N 0 0 407.274 4.785 50 0 HJAARN Cc1ccnc([C@H](Nc2nc(-c3cccnc3)nc3sc4c(c32)CCC4)C2CC2)n1 ZINC000095446202 568611814 /nfs/dbraw/zinc/61/18/14/568611814.db2.gz IRWJLKYSWRHWSO-LJQANCHMSA-N 0 0 414.538 4.904 50 0 HJAARN Cc1ccc(-c2ocnc2C(=O)N2CCc3cc(Br)sc3C2)cc1 ZINC000095445835 568611841 /nfs/dbraw/zinc/61/18/41/568611841.db2.gz WMQODZACXBHLRM-UHFFFAOYSA-N 0 0 403.301 4.673 50 0 HJAARN CC(C)(C)OC(=O)NC[C@@H](NC(=O)CCc1ccncc1)c1ccc2ccccc2c1 ZINC000095446677 568611979 /nfs/dbraw/zinc/61/19/79/568611979.db2.gz GBUNLCPSLCHYOU-JOCHJYFZSA-N 0 0 419.525 4.550 50 0 HJAARN C[C@H](c1cccnc1)N(CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)C1CC1 ZINC000095446753 568612140 /nfs/dbraw/zinc/61/21/40/568612140.db2.gz VCMTWPFZVRWBHK-UZLBHIALSA-N 0 0 420.538 4.639 50 0 HJAARN CC(C)c1cccc(C(C)C)c1NCCOC(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000095450771 568614523 /nfs/dbraw/zinc/61/45/23/568614523.db2.gz DNAZERNRKBMTJV-UHFFFAOYSA-N 0 0 417.571 4.747 50 0 HJAARN CSc1ccc(NC(=O)NC(C)(C)COc2ncccc2Br)cc1 ZINC000095456129 568617480 /nfs/dbraw/zinc/61/74/80/568617480.db2.gz QSUZQBOFMDZQQJ-UHFFFAOYSA-N 0 0 410.337 4.545 50 0 HJAARN O=C(c1ccc(Sc2ccccc2Cl)nn1)N1CC=C(c2cccnc2)CC1 ZINC000095456625 568617948 /nfs/dbraw/zinc/61/79/48/568617948.db2.gz OEIGSHDHJUXTOA-UHFFFAOYSA-N 0 0 408.914 4.606 50 0 HJAARN CCSc1ccc(Cl)cc1NC(=O)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000095460942 568620406 /nfs/dbraw/zinc/62/04/06/568620406.db2.gz AOULGZJVRBEMBA-ZDUSSCGKSA-N 0 0 405.955 4.790 50 0 HJAARN O=C(CSc1nncn2c3ccsc3cc12)Nc1cccc(C(F)(F)F)c1 ZINC000020510667 568621268 /nfs/dbraw/zinc/62/12/68/568621268.db2.gz XYSIKWHKQNRHRR-UHFFFAOYSA-N 0 0 408.430 4.694 50 0 HJAARN O=C(c1cc(-c2ccccc2)no1)N(CC(F)(F)F)[C@@H]1CCCc2cccnc21 ZINC000095462408 568621447 /nfs/dbraw/zinc/62/14/47/568621447.db2.gz KOOSHVRTZARRTD-QGZVFWFLSA-N 0 0 401.388 4.819 50 0 HJAARN CCc1cc(=O)n2nc(N(C)[C@H]3CCC[C@@H]3c3ccc(C(F)(F)F)cc3)sc2n1 ZINC000095463638 568622158 /nfs/dbraw/zinc/62/21/58/568622158.db2.gz VWSRLLYAALTCNK-CVEARBPZSA-N 0 0 422.476 4.505 50 0 HJAARN CC(C)(C(=O)N1CC=C(c2ccnc3[nH]ccc32)CC1)c1cccc(Br)c1 ZINC000095465430 568623485 /nfs/dbraw/zinc/62/34/85/568623485.db2.gz RSIBRWGSOYTKBW-UHFFFAOYSA-N 0 0 424.342 4.919 50 0 HJAARN COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)cc1OC ZINC000095474588 568629287 /nfs/dbraw/zinc/62/92/87/568629287.db2.gz LHBKRXUQNARFBE-KDOFPFPSSA-N 0 0 417.531 4.622 50 0 HJAARN COc1cccc2[nH]cc([C@H](CC(=O)NCc3ccco3)c3ccc(F)cc3F)c21 ZINC000095474573 568629430 /nfs/dbraw/zinc/62/94/30/568629430.db2.gz MNQGKTZJOUOYOF-QGZVFWFLSA-N 0 0 410.420 4.886 50 0 HJAARN COc1cccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)c1OC ZINC000095480672 568633408 /nfs/dbraw/zinc/63/34/08/568633408.db2.gz OOYQKAXJFIUUGH-SCLBCKFNSA-N 0 0 417.531 4.622 50 0 HJAARN Cc1cccc(-c2noc(CN(C)C(=O)[C@H](C)Sc3ccc(Cl)cc3)n2)c1 ZINC000095481644 568633727 /nfs/dbraw/zinc/63/37/27/568633727.db2.gz URUPRDYDVPAPQT-AWEZNQCLSA-N 0 0 401.919 4.838 50 0 HJAARN C[C@@H]1CCC[C@H](N2CC(=O)N(Cc3ccccc3)[C@@H](c3ccc(F)cc3)C2=O)[C@@H]1C ZINC000020679285 568639972 /nfs/dbraw/zinc/63/99/72/568639972.db2.gz KKJYDRMDMWYXQU-CIBKWALQSA-N 0 0 408.517 4.563 50 0 HJAARN O=C(CN1c2ccccc2O/C(=C/c2ccccc2)C1=O)NC1CCCCCCC1 ZINC000020733335 568640998 /nfs/dbraw/zinc/64/09/98/568640998.db2.gz ZXYZWBSKBWSHEM-HAVVHWLPSA-N 0 0 404.510 4.682 50 0 HJAARN O=C(CCc1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1cnc2ccccc2n1 ZINC000225504498 568644178 /nfs/dbraw/zinc/64/41/78/568644178.db2.gz LILBCCQAXMBSGH-RUZDIDTESA-N 0 0 406.489 4.940 50 0 HJAARN COc1ccc(-c2nn3c(nc(COc4ccc(C(C)(C)C)cc4)cc3=O)s2)cc1 ZINC000020859105 568645782 /nfs/dbraw/zinc/64/57/82/568645782.db2.gz WATOXBXSHXQBDZ-UHFFFAOYSA-N 0 0 421.522 4.703 50 0 HJAARN CCOc1c(Cl)cc(C(=O)N2CCCCC[C@@H]2c2c(C)n[nH]c2C)cc1OC ZINC000225530876 568647625 /nfs/dbraw/zinc/64/76/25/568647625.db2.gz OKSHZXOMAIRBLR-QGZVFWFLSA-N 0 0 405.926 4.845 50 0 HJAARN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cc(F)ccc1F)SCC(=O)N2 ZINC000020892034 568648002 /nfs/dbraw/zinc/64/80/02/568648002.db2.gz SYWIODMLVHCSJX-GOSISDBHSA-N 0 0 405.857 4.887 50 0 HJAARN O=C(Nc1cccc(-n2cccc2)c1)c1cccc(S(=O)(=O)Cc2ccccc2)c1 ZINC000225553183 568650365 /nfs/dbraw/zinc/65/03/65/568650365.db2.gz PDVRICOJVYXFIY-UHFFFAOYSA-N 0 0 416.502 4.704 50 0 HJAARN CCc1ccccc1N(C)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000020977994 568654032 /nfs/dbraw/zinc/65/40/32/568654032.db2.gz WXEGDNWYXPSPTJ-UHFFFAOYSA-N 0 0 416.446 4.809 50 0 HJAARN CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1C[C@H](C)Sc2ccccc21 ZINC000020984767 568654949 /nfs/dbraw/zinc/65/49/49/568654949.db2.gz PJLMQZARXYDHER-HNNXBMFYSA-N 0 0 414.552 4.902 50 0 HJAARN O=C(Nc1nc(Cl)ccc1O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000225613855 568656935 /nfs/dbraw/zinc/65/69/35/568656935.db2.gz GUQQCFWMJJOXDC-UHFFFAOYSA-N 0 0 417.174 4.551 50 0 HJAARN Cc1c(C[NH2+]CCc2ccccc2Cl)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 ZINC000021024391 568658588 /nfs/dbraw/zinc/65/85/88/568658588.db2.gz VCRXUGRKAXMSBY-UHFFFAOYSA-N 0 0 414.908 4.976 50 0 HJAARN O=C(Nc1ccc(Cl)cc1)Nc1ccccc1OCc1cc(=O)n2ccccc2n1 ZINC000021099465 568666320 /nfs/dbraw/zinc/66/63/20/568666320.db2.gz QTZMWBHZZSXMLB-UHFFFAOYSA-N 0 0 420.856 4.571 50 0 HJAARN COc1ccc(NC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc1 ZINC000021101285 568666458 /nfs/dbraw/zinc/66/64/58/568666458.db2.gz JWCQDDGEFYWXTI-UHFFFAOYSA-N 0 0 406.461 4.574 50 0 biogenic HJAARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2cc(C)c(Cl)cc2OC)cc1 ZINC000021107070 568667179 /nfs/dbraw/zinc/66/71/79/568667179.db2.gz RHWNQVWHDRHBQH-JOCHJYFZSA-N 0 0 423.900 4.827 50 0 HJAARN COc1cc(OC)c(Nc2c3[nH]cccc-3c(=O)n2-c2ccc(C)cc2)cc1Cl ZINC000021107785 568667611 /nfs/dbraw/zinc/66/76/11/568667611.db2.gz DUUOYKRZVZSWJR-OAQYLSRUSA-N 0 0 409.873 4.832 50 0 HJAARN Cc1ccc(OCCSc2ncn(-c3nc(C)cc(Oc4ccccc4)n3)n2)cc1 ZINC000021150571 568672274 /nfs/dbraw/zinc/67/22/74/568672274.db2.gz DAOMKALQMXFNIC-UHFFFAOYSA-N 0 0 419.510 4.638 50 0 HJAARN CCOc1cc2c(cc1OCC)[C@@H]1CC(=O)N(c3ccc(CC)cc3)C(=O)N1CC2 ZINC000021151233 568672419 /nfs/dbraw/zinc/67/24/19/568672419.db2.gz JLEIGRGVGPMUFO-FQEVSTJZSA-N 0 0 408.498 4.503 50 0 HJAARN Cc1ccc(C)c(Cn2c3ccccc3nc2N2CCC(C(=O)N3CCCC3)CC2)c1 ZINC000021159531 568674530 /nfs/dbraw/zinc/67/45/30/568674530.db2.gz CCFXWIRDQWQCRA-UHFFFAOYSA-N 0 0 416.569 4.540 50 0 HJAARN COc1ccc(/C=C2/N=C(SC[C@H]3CCCO3)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000096035464 568687241 /nfs/dbraw/zinc/68/72/41/568687241.db2.gz BQKVXOVKVIXTHL-XOWGOQOESA-N 0 0 422.550 4.968 50 0 HJAARN CCCCC(=O)Nc1ccc(SCc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 ZINC000021357912 568688591 /nfs/dbraw/zinc/68/85/91/568688591.db2.gz IPHDJWOTEMHIDN-UHFFFAOYSA-N 0 0 411.483 4.886 50 0 HJAARN Cc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(O)cc5)coc-4c32)cc1 ZINC000096114648 568694242 /nfs/dbraw/zinc/69/42/42/568694242.db2.gz ZOSOHNRDDARFGM-QGZVFWFLSA-N 0 0 414.413 4.621 50 0 biogenic HJAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2cccc(OC(F)F)c2)S1 ZINC000096117955 568697482 /nfs/dbraw/zinc/69/74/82/568697482.db2.gz HLYYHQLIGMENQV-CJNGLKHVSA-N 0 0 423.485 4.794 50 0 HJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(C(=O)c2ccco2)s1 ZINC000096119799 568699030 /nfs/dbraw/zinc/69/90/30/568699030.db2.gz HDKQSHHDNCNPMO-UHFFFAOYSA-N 0 0 403.887 4.699 50 0 HJAARN Cc1cc(NC(=O)[C@H]2CCCN2c2nc3ccccc3o2)ccc1Br ZINC000096122584 568700296 /nfs/dbraw/zinc/70/02/96/568700296.db2.gz SOVSZFSURVSVSD-MRXNPFEDSA-N 0 0 400.276 4.506 50 0 HJAARN Cc1ccc(-c2nnc([C@H](C)N3CCN(Cc4ccc(Cl)s4)CC3)o2)cc1 ZINC000096124637 568701007 /nfs/dbraw/zinc/70/10/07/568701007.db2.gz XNQAZCDMWGLRTK-HNNXBMFYSA-N 0 0 402.951 4.639 50 0 HJAARN CSc1cccc(NC(=O)N2CC[C@@H](Cc3nc4cccnc4n3C(C)C)C2)c1 ZINC000096124975 568701076 /nfs/dbraw/zinc/70/10/76/568701076.db2.gz OXZORPMTXDGCDC-INIZCTEOSA-N 0 0 409.559 4.831 50 0 HJAARN COc1ccc(C[C@@H](C)NC(=O)C(=O)c2c3ccccc3[nH]c2-c2ccccc2)cc1 ZINC000012401824 568704965 /nfs/dbraw/zinc/70/49/65/568704965.db2.gz XXVFQCFNVOQYEE-QGZVFWFLSA-N 0 0 412.489 4.774 50 0 HJAARN Cc1cccc(C)c1OC(=O)COc1ccc(Br)cc1Br ZINC000000851401 568712483 /nfs/dbraw/zinc/71/24/83/568712483.db2.gz BCUCRPBDFVMDBS-UHFFFAOYSA-N 0 0 414.093 4.813 50 0 HJAARN COc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000000855128 568712925 /nfs/dbraw/zinc/71/29/25/568712925.db2.gz FSZOBUYQZDPYNN-JOCHJYFZSA-N 0 0 411.548 4.799 50 0 HJAARN COc1ccccc1[C@@H]1C[C@H]1C(=O)N([C@@H](C)c1ccc2c(c1)OCCCO2)C1CC1 ZINC000229408638 568713927 /nfs/dbraw/zinc/71/39/27/568713927.db2.gz YJIBVAVZLRYIHI-ORYQWCPZSA-N 0 0 407.510 4.712 50 0 HJAARN COc1ccc2[nH]cc([C@@H](CC(=O)NCc3ccncc3)c3ccccc3F)c2c1 ZINC000096275396 568714259 /nfs/dbraw/zinc/71/42/59/568714259.db2.gz FTZDZGHJYVSQJF-IBGZPJMESA-N 0 0 403.457 4.549 50 0 HJAARN CCn1c(C(=O)NCc2ccccc2)cc2cc(NC(=O)c3ccccc3F)ccc21 ZINC000096275655 568714559 /nfs/dbraw/zinc/71/45/59/568714559.db2.gz WINPDFXXUNPMDI-UHFFFAOYSA-N 0 0 415.468 4.983 50 0 HJAARN CCc1cccc2c([C@H](CC(=O)N3CCN(CC)CC3)c3ccccc3F)c[nH]c21 ZINC000096275908 568714773 /nfs/dbraw/zinc/71/47/73/568714773.db2.gz RDRAPWKEYCNCCR-OAQYLSRUSA-N 0 0 407.533 4.556 50 0 HJAARN CC(C)[C@H](OC[C@H]1CCCO1)C(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000229699219 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CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cnc4ccccc4n3)cc2)cc1 ZINC000021889980 568759115 /nfs/dbraw/zinc/75/91/15/568759115.db2.gz CHTKNIOVWZBRKC-UHFFFAOYSA-N 0 0 412.449 4.533 50 0 HJAARN COc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccccc2)cc1 ZINC000000976948 568759628 /nfs/dbraw/zinc/75/96/28/568759628.db2.gz FYEQCIRTTIGDDR-UHFFFAOYSA-N 0 0 401.491 4.918 50 0 HJAARN O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000096564227 568760750 /nfs/dbraw/zinc/76/07/50/568760750.db2.gz CHXNAYJDXBTQKA-UHFFFAOYSA-N 0 0 420.515 4.895 50 0 HJAARN C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3c(Cl)cccc3Cl)c2C(N)=O)C1 ZINC000000995839 568760868 /nfs/dbraw/zinc/76/08/68/568760868.db2.gz PEAISBLXNAQEKB-QROSGCPLSA-N 0 0 409.338 4.931 50 0 HJAARN CCOc1ccc(/C=C2/N=C(c3cc(F)c(F)cc3Cl)OC2=O)c(OCC)c1 ZINC000000994295 568760880 /nfs/dbraw/zinc/76/08/80/568760880.db2.gz IWXRYZXOIZSAPJ-REZTVBANSA-N 0 0 407.800 4.760 50 0 HJAARN COC(=O)c1cc(/C=C/C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)oc1C ZINC000025257031 568760905 /nfs/dbraw/zinc/76/09/05/568760905.db2.gz OHPKHCROZZONGQ-GQCTYLIASA-N 0 0 417.767 4.621 50 0 HJAARN Cc1ccc2nc(-c3cccnc3)cc(C(=O)NCCCN(C)c3ccccc3)c2c1 ZINC000021934833 568761893 /nfs/dbraw/zinc/76/18/93/568761893.db2.gz XQJYEKIZVSEBPB-UHFFFAOYSA-N 0 0 410.521 4.862 50 0 HJAARN O=C(Nc1ccc(Br)cc1)c1cnn2c1nc(C1CC1)cc2C(F)F ZINC000001009241 568762573 /nfs/dbraw/zinc/76/25/73/568762573.db2.gz VVKKGRQJNLEUSM-UHFFFAOYSA-N 0 0 407.218 4.559 50 0 HJAARN CCOC(=O)c1ccc(N=C2S/C(=C\c3ccc(N(C)C)cc3)C(=O)N2CC)cc1 ZINC000001011523 568762932 /nfs/dbraw/zinc/76/29/32/568762932.db2.gz XSZUFUYNSRUJSI-UBWZAKNHSA-N 0 0 423.538 4.553 50 0 HJAARN CCS(=O)(=O)c1cccc(NC(=O)c2oc3ccc(Br)cc3c2C)c1 ZINC000334162536 568763869 /nfs/dbraw/zinc/76/38/69/568763869.db2.gz PPLIGCXXCBRTPR-UHFFFAOYSA-N 0 0 422.300 4.550 50 0 HJAARN CCOC(=O)c1csc(-n2nc(/C=C/c3ccc(OC)cc3)cc2C(F)(F)F)n1 ZINC000096924439 568765334 /nfs/dbraw/zinc/76/53/34/568765334.db2.gz VFSQEKJGVDQPPS-QPJJXVBHSA-N 0 0 423.416 4.703 50 0 HJAARN CCc1cccc2c(CCNS(=O)(=O)c3cc(Cl)ccc3Cl)c(C)[nH]c21 ZINC000001074462 568767005 /nfs/dbraw/zinc/76/70/05/568767005.db2.gz GOXIXOPBBUYOMU-UHFFFAOYSA-N 0 0 411.354 4.867 50 0 HJAARN Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccc(C)cc2)cc1 ZINC000001081015 568767892 /nfs/dbraw/zinc/76/78/92/568767892.db2.gz OBLJLMZXTHHRCG-UHFFFAOYSA-N 0 0 410.477 4.994 50 0 HJAARN Cc1ccccc1-c1ccc(N2CCC(C(=O)N3c4ccccc4C[C@H]3C)CC2)nn1 ZINC000022493771 568768809 /nfs/dbraw/zinc/76/88/09/568768809.db2.gz CTLUZUGOZRMCDL-LJQANCHMSA-N 0 0 412.537 4.646 50 0 HJAARN CCOc1ccc(CC(=O)NCCc2c(C)[nH]c3c2c(F)ccc3C)cc1OCC ZINC000001088422 568768951 /nfs/dbraw/zinc/76/89/51/568768951.db2.gz XZXNAZOLGVEHHZ-UHFFFAOYSA-N 0 0 412.505 4.623 50 0 HJAARN O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000001094838 568769260 /nfs/dbraw/zinc/76/92/60/568769260.db2.gz GPVWOYKYVWEZFZ-UHFFFAOYSA-N 0 0 421.349 4.658 50 0 HJAARN O=C(Nc1cccc(Cl)c1)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000002466525 568772573 /nfs/dbraw/zinc/77/25/73/568772573.db2.gz FXTXQUGYSUSYMV-VXKWHMMOSA-N 0 0 402.881 4.816 50 0 HJAARN CCC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1cccc(OC)c1)c2=O ZINC000001133934 568773756 /nfs/dbraw/zinc/77/37/56/568773756.db2.gz OGTMMXMOCKDQNU-UHFFFAOYSA-N 0 0 408.328 4.928 50 0 biogenic HJAARN Cc1ccc([C@@H]2C[C@H](c3ccc(OCc4ccccc4)cc3)n3nc(N)nc3N2)cc1 ZINC000002472302 568773805 /nfs/dbraw/zinc/77/38/05/568773805.db2.gz BTYKIBRGPJAPQT-XZOQPEGZSA-N 0 0 411.509 4.894 50 0 HJAARN COC(=O)c1ccc(Oc2coc3cc(OC(=O)C4CCCCC4)ccc3c2=O)cc1 ZINC000001135825 568773892 /nfs/dbraw/zinc/77/38/92/568773892.db2.gz OYJQZSATLHZLQK-UHFFFAOYSA-N 0 0 422.433 4.858 50 0 biogenic HJAARN CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000002502851 568777368 /nfs/dbraw/zinc/77/73/68/568777368.db2.gz VGCXFUUORYENPG-NRFANRHFSA-N 0 0 422.506 4.692 50 0 HJAARN CCCCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccccc1 ZINC000002541808 568781778 /nfs/dbraw/zinc/78/17/78/568781778.db2.gz TVFJCKYELKXOCY-UHFFFAOYSA-N 0 0 402.470 4.754 50 0 HJAARN COc1ccccc1N(C)C(=O)c1ccc(Oc2ccccc2Br)nc1 ZINC000055744926 568782968 /nfs/dbraw/zinc/78/29/68/568782968.db2.gz ANDHYFRBGQEADM-UHFFFAOYSA-N 0 0 413.271 4.922 50 0 HJAARN O=C1c2ccccc2[C@@]2(c3ccc(Cl)cc3)N(C(=S)Nc3ccccc3)CCN12 ZINC000001168618 568783026 /nfs/dbraw/zinc/78/30/26/568783026.db2.gz BSILXSOLQLGRDM-HSZRJFAPSA-N 0 0 419.937 4.710 50 0 HJAARN COc1ccc(NC(=O)N2CCS[C@H]2c2cc(Br)ccc2OC)cc1 ZINC000028232273 568783079 /nfs/dbraw/zinc/78/30/79/568783079.db2.gz UCJKYNTYMCUTOY-KRWDZBQOSA-N 0 0 423.332 4.746 50 0 HJAARN O=C(Nc1ccc(Br)cn1)c1ccc(COc2ccc(F)cc2F)o1 ZINC000028231045 568783100 /nfs/dbraw/zinc/78/31/00/568783100.db2.gz BWIQKLYOJJROCW-UHFFFAOYSA-N 0 0 409.186 4.547 50 0 HJAARN CC[C@@H](C)NC(=O)CSc1nnc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)n1 ZINC000002621140 568787609 /nfs/dbraw/zinc/78/76/09/568787609.db2.gz GFZYHPGOTUZNFY-QGZVFWFLSA-N 0 0 406.555 4.829 50 0 HJAARN Cc1cccc(-n2nnnc2SCC(=O)Nc2c(C(C)C)cccc2C(C)C)c1 ZINC000002621281 568787807 /nfs/dbraw/zinc/78/78/07/568787807.db2.gz ZPCJLGLSVZETFY-UHFFFAOYSA-N 0 0 409.559 4.948 50 0 HJAARN CC(=O)c1ccc(NC(=O)COc2ncnc3scc(-c4ccc(F)cc4)c32)cc1 ZINC000002623004 568788334 /nfs/dbraw/zinc/78/83/34/568788334.db2.gz XNPSWHFNHRBUTB-UHFFFAOYSA-N 0 0 421.453 4.718 50 0 HJAARN CCc1cc2c(ncnc2SCC(=O)Nc2ncc(Cl)c(C)c2Cl)s1 ZINC000002629275 568790217 /nfs/dbraw/zinc/79/02/17/568790217.db2.gz JWYQPKPSVBGDIL-UHFFFAOYSA-N 0 0 413.355 4.995 50 0 HJAARN COc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2F)cc1F ZINC000002634023 568791572 /nfs/dbraw/zinc/79/15/72/568791572.db2.gz UGBCJIQSTNRTMN-UHFFFAOYSA-N 0 0 410.449 4.908 50 0 HJAARN Cc1sc2nc(COC(=O)CSc3ccc4ccccc4c3)[nH]c(=O)c2c1C ZINC000002635482 568791984 /nfs/dbraw/zinc/79/19/84/568791984.db2.gz FRWWBMXDXDGXAB-UHFFFAOYSA-N 0 0 410.520 4.590 50 0 HJAARN C[C@@H](OC(=O)c1c2ccccc2nc2c1C[C@H](C)CC2)C(=O)NCCC1=CCCCC1 ZINC000002644101 568794365 /nfs/dbraw/zinc/79/43/65/568794365.db2.gz IBSSVQCDZZOUOA-QZTJIDSGSA-N 0 0 420.553 4.912 50 0 HJAARN O=C(CSc1nnc(Nc2ccccc2)s1)Nc1ncc(Cl)cc1Cl ZINC000002644202 568794606 /nfs/dbraw/zinc/79/46/06/568794606.db2.gz PBLKOBIZTMHSSU-UHFFFAOYSA-N 0 0 412.327 4.714 50 0 HJAARN CCC(C)(C)NC(=O)c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002651997 568796499 /nfs/dbraw/zinc/79/64/99/568796499.db2.gz MPUJNBVEKRZZEZ-UHFFFAOYSA-N 0 0 408.420 4.641 50 0 HJAARN COc1ccccc1C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(N(C)C)cc1 ZINC000002652599 568796873 /nfs/dbraw/zinc/79/68/73/568796873.db2.gz VZINCOXFZPKYCT-QFIPXVFZSA-N 0 0 413.521 4.804 50 0 HJAARN O=C(Nc1nnc(SCc2ccccc2F)s1)c1ccc(OC(F)F)cc1 ZINC000002653898 568797354 /nfs/dbraw/zinc/79/73/54/568797354.db2.gz IEVQJFRBRDEMLD-UHFFFAOYSA-N 0 0 411.430 4.823 50 0 HJAARN CC(=O)[C@@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 ZINC000002655040 568797561 /nfs/dbraw/zinc/79/75/61/568797561.db2.gz LOKYUZYBROAKTI-CQSZACIVSA-N 0 0 413.688 4.819 50 0 HJAARN COc1ccc2oc(C(=O)OCC(=O)Nc3nc(C)c(Cl)cc3Cl)c(C)c2c1 ZINC000002662302 568799280 /nfs/dbraw/zinc/79/92/80/568799280.db2.gz KIZOJQMOODEQGX-UHFFFAOYSA-N 0 0 423.252 4.556 50 0 HJAARN Cc1cccc(-c2nnn3c2nc(NCc2ccc4c(c2)OCO4)c2ccccc23)c1 ZINC000002694163 568801270 /nfs/dbraw/zinc/80/12/70/568801270.db2.gz KBQYIIAMKBIJBP-UHFFFAOYSA-N 0 0 409.449 4.594 50 0 HJAARN Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccc(Cl)c4)[C@@H]3C2=O)c1 ZINC000230001075 568801290 /nfs/dbraw/zinc/80/12/90/568801290.db2.gz GVADMOBWKCUKNK-BHDDXSALSA-N 0 0 418.880 4.700 50 0 HJAARN CCOc1ccc(NC(=O)N[C@@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)cc1 ZINC000002725333 568803742 /nfs/dbraw/zinc/80/37/42/568803742.db2.gz WJYZSWMXWAVFBZ-KRWDZBQOSA-N 0 0 402.756 4.548 50 0 HJAARN COC(=O)c1ccn(Cn2nc(-c3ccc(C)cc3)c(C)c2-c2ccc(C)cc2)n1 ZINC000002733396 568805286 /nfs/dbraw/zinc/80/52/86/568805286.db2.gz OSPVFCGQFADEMK-UHFFFAOYSA-N 0 0 400.482 4.631 50 0 HJAARN FC(F)(F)COCc1ccc(-c2nc3c4c5c(sc4ncn3n2)CCC5)cc1 ZINC000002788831 568809009 /nfs/dbraw/zinc/80/90/09/568809009.db2.gz CJCVKOLSZQTTNP-UHFFFAOYSA-N 0 0 404.417 4.574 50 0 HJAARN Cc1sc2ncn3nc([C@@H](C)n4nc(C(F)(F)F)cc4C4CC4)nc3c2c1C ZINC000002788923 568809183 /nfs/dbraw/zinc/80/91/83/568809183.db2.gz SRAUYVOUZKHZLI-SECBINFHSA-N 0 0 406.437 4.658 50 0 HJAARN CN(C)c1ccc([C@@H](CNC(=O)Cc2ccccc2F)c2c[nH]c3ccccc32)cc1 ZINC000028881676 568812542 /nfs/dbraw/zinc/81/25/42/568812542.db2.gz IJHGUELQHWQQBM-JOCHJYFZSA-N 0 0 415.512 4.864 50 0 HJAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ccc(F)c(Cl)c1 ZINC000028942537 568813428 /nfs/dbraw/zinc/81/34/28/568813428.db2.gz NLYQRISRIDOKHA-UHFFFAOYSA-N 0 0 421.774 4.541 50 0 HJAARN Cc1c(C(=O)Nc2cc(C)cc(C)c2)sc2ncn(Cc3ccccc3F)c(=O)c12 ZINC000002911004 568815905 /nfs/dbraw/zinc/81/59/05/568815905.db2.gz ZOEXCSHQOYIJHN-UHFFFAOYSA-N 0 0 421.497 4.823 50 0 HJAARN Cc1ccc(C)c(CSc2nc3ccsc3c(=O)n2NC(=O)c2ccccc2)c1 ZINC000002925520 568817360 /nfs/dbraw/zinc/81/73/60/568817360.db2.gz IYRXFWMPDSGWCG-UHFFFAOYSA-N 0 0 421.547 4.751 50 0 HJAARN CCOC(=O)c1cc(-c2ccccc2)n(CC(=O)N[C@H]2CCCc3ccccc32)c1C ZINC000002928457 568817731 /nfs/dbraw/zinc/81/77/31/568817731.db2.gz BRRHAXOPZHYEKB-QHCPKHFHSA-N 0 0 416.521 4.834 50 0 HJAARN CC(=O)O[C@H](C)[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000257355765 568817880 /nfs/dbraw/zinc/81/78/80/568817880.db2.gz COXXOOWTEWCQRW-GILSTLGDSA-N 0 0 420.590 4.644 50 0 HJAARN CCOc1ccccc1NC(=O)c1cn(-c2ccc(F)cc2F)c(=O)c2ccccc12 ZINC000002937843 568818693 /nfs/dbraw/zinc/81/86/93/568818693.db2.gz JZMJKBSNDKNVKX-UHFFFAOYSA-N 0 0 420.415 4.920 50 0 HJAARN O=C(NCC1CC1)c1csc(-c2cccc(OCc3ccc(F)cc3F)c2)n1 ZINC000034717424 568819823 /nfs/dbraw/zinc/81/98/23/568819823.db2.gz JXXIFIPRJLNJSO-UHFFFAOYSA-N 0 0 400.450 4.807 50 0 HJAARN C[C@H](NC(=O)Nc1ccccc1)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000057015940 568823272 /nfs/dbraw/zinc/82/32/72/568823272.db2.gz KIHKEBIYSKTKBZ-WMZHIEFXSA-N 0 0 420.582 4.822 50 0 HJAARN Cc1ccc(C(=O)N2CCC(N(C)c3ccccc3)CC2)cc1NC(=O)c1ccco1 ZINC000057083947 568824033 /nfs/dbraw/zinc/82/40/33/568824033.db2.gz GZCJXADCHKICOZ-UHFFFAOYSA-N 0 0 417.509 4.581 50 0 HJAARN COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(Cc2cccnc2)CO4)cc1 ZINC000057128682 568824278 /nfs/dbraw/zinc/82/42/78/568824278.db2.gz NEUAJGYBRRZEKE-UHFFFAOYSA-N 0 0 414.461 4.524 50 0 biogenic HJAARN Cc1nccn1-c1ccc(CNC(=O)c2cccnc2Nc2cccc(F)c2)cc1F ZINC000063109528 568824401 /nfs/dbraw/zinc/82/44/01/568824401.db2.gz YVYXGPONJWBXAW-UHFFFAOYSA-N 0 0 419.435 4.528 50 0 HJAARN CCOc1ccccc1N1CCN([C@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000057281283 568825615 /nfs/dbraw/zinc/82/56/15/568825615.db2.gz QLPDZJQZBXWQKW-MRXNPFEDSA-N 0 0 400.473 4.713 50 0 HJAARN COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(C)(C)C)cc3)n2C)cc1 ZINC000005848985 568825648 /nfs/dbraw/zinc/82/56/48/568825648.db2.gz JOGAHKNILZOVPD-UHFFFAOYSA-N 0 0 410.543 4.519 50 0 HJAARN COCc1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)sc2cccc(F)c21 ZINC000029490330 568826834 /nfs/dbraw/zinc/82/68/34/568826834.db2.gz LRDUWUKIUUEMPZ-UHFFFAOYSA-N 0 0 418.921 4.803 50 0 HJAARN C[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)NCC1CCCCC1 ZINC000005887129 568827891 /nfs/dbraw/zinc/82/78/91/568827891.db2.gz LIWIVSRFJLZWIB-MRXNPFEDSA-N 0 0 410.543 4.704 50 0 HJAARN Cc1cccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccccc2F)c1 ZINC000002953196 568829454 /nfs/dbraw/zinc/82/94/54/568829454.db2.gz QMFYRRWTNNLYCU-PNHLSOANSA-N 0 0 417.440 4.561 50 0 HJAARN CCC(=O)Nc1ccc(C2=NNC(=Nc3cccc(C(F)(F)F)c3)SC2)cc1 ZINC000005934289 568830098 /nfs/dbraw/zinc/83/00/98/568830098.db2.gz LXXUGAAZDREYEI-UHFFFAOYSA-N 0 0 406.433 4.973 50 0 HJAARN O=C(c1ccc(OC(F)F)cc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000005936755 568830312 /nfs/dbraw/zinc/83/03/12/568830312.db2.gz ZPHSAGVYUHEQMJ-HNNXBMFYSA-N 0 0 404.438 4.724 50 0 HJAARN O=C(OCCOc1ccccc1F)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000005936055 568830495 /nfs/dbraw/zinc/83/04/95/568830495.db2.gz VBHPCLMYXMDATJ-UHFFFAOYSA-N 0 0 402.425 4.914 50 0 HJAARN Cc1ccc([C@@H]2C(=O)N([C@@H]3CCC[C@@H](C)[C@H]3C)CC(=O)N2Cc2ccccc2)cc1 ZINC000230076377 568831603 /nfs/dbraw/zinc/83/16/03/568831603.db2.gz LIJPPDTUPRTSDO-LTWPEAGASA-N 0 0 404.554 4.732 50 0 HJAARN Cc1cc(NC(=O)COC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)no1 ZINC000005987724 568834279 /nfs/dbraw/zinc/83/42/79/568834279.db2.gz REYRSZSCACFBRC-UHFFFAOYSA-N 0 0 416.886 4.724 50 0 HJAARN Cc1cc(C)c(NC(=O)CSc2nc3ccsc3c(=O)n2CC(C)C)c(C)c1 ZINC000057426233 568835167 /nfs/dbraw/zinc/83/51/67/568835167.db2.gz IKNLWUOVPCRSNX-UHFFFAOYSA-N 0 0 415.584 4.770 50 0 HJAARN CCCCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2ccsc2c1=O ZINC000057426397 568835314 /nfs/dbraw/zinc/83/53/14/568835314.db2.gz IGEYZUSTCXFSBL-UHFFFAOYSA-N 0 0 401.557 4.606 50 0 HJAARN C[C@@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000031688943 568837865 /nfs/dbraw/zinc/83/78/65/568837865.db2.gz LFKRRYCRQYSQFE-CQSZACIVSA-N 0 0 406.515 4.863 50 0 HJAARN CCCC[C@@H](CC)CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000003010394 568838103 /nfs/dbraw/zinc/83/81/03/568838103.db2.gz OOSWFTPPQLCDJK-QGZVFWFLSA-N 0 0 423.582 4.923 50 0 HJAARN O=C(Oc1ccccc1)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)c2ccccc21 ZINC000003015952 568838481 /nfs/dbraw/zinc/83/84/81/568838481.db2.gz XUMTZBWAPPFJNQ-UHFFFAOYSA-N 0 0 410.351 4.624 50 0 HJAARN O=C(CSc1nc2ccccc2nc1Cc1ccc(F)cc1)NCc1ccccc1 ZINC000003018018 568838737 /nfs/dbraw/zinc/83/87/37/568838737.db2.gz VBRAOPLQJUREOG-UHFFFAOYSA-N 0 0 417.509 4.768 50 0 HJAARN NC(=O)c1ccc(N[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1 ZINC000012514578 568840450 /nfs/dbraw/zinc/84/04/50/568840450.db2.gz NXCKYROASJDKMR-LJQANCHMSA-N 0 0 413.399 4.596 50 0 HJAARN C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2)ccc1F ZINC000003022272 568840610 /nfs/dbraw/zinc/84/06/10/568840610.db2.gz BNTRMMQLFOPDBX-UGSOOPFHSA-N 0 0 424.925 4.588 50 0 HJAARN CCCCCCNC(=O)c1ccc(CNC(=O)c2ccc(Br)cc2)cc1 ZINC000003022909 568840802 /nfs/dbraw/zinc/84/08/02/568840802.db2.gz ZOLJRIRSWODRJX-UHFFFAOYSA-N 0 0 417.347 4.689 50 0 HJAARN CC(C)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2F)cc1 ZINC000003024756 568841201 /nfs/dbraw/zinc/84/12/01/568841201.db2.gz NAEPIAJKTLCRLH-UHFFFAOYSA-N 0 0 418.534 4.766 50 0 HJAARN CC(=O)Nc1ccc(C(=O)COc2c(=O)c3ccccc3oc2-c2ccccc2)cc1 ZINC000001993873 568841962 /nfs/dbraw/zinc/84/19/62/568841962.db2.gz WIBDZYQIYZSEJQ-UHFFFAOYSA-N 0 0 413.429 4.680 50 0 HJAARN Cc1ccnc(N(C(=O)c2cc3c(s2)CCC3)C(=O)c2cc3c(s2)CCC3)c1 ZINC000012524582 568842449 /nfs/dbraw/zinc/84/24/49/568842449.db2.gz RUBPYHLREHMGDN-UHFFFAOYSA-N 0 0 408.548 4.978 50 0 HJAARN C[C@@H](NC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000057486762 568842629 /nfs/dbraw/zinc/84/26/29/568842629.db2.gz YAYSKKNISMLGCE-OAHLLOKOSA-N 0 0 406.873 4.736 50 0 HJAARN Cn1ccnc1SC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000003984001 568843903 /nfs/dbraw/zinc/84/39/03/568843903.db2.gz CPDBALYNZRPEBV-YRUWNSOBSA-N 0 0 416.631 4.855 50 0 biogenic HJAARN CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1 ZINC000057496852 568844971 /nfs/dbraw/zinc/84/49/71/568844971.db2.gz XOKLTDGJVBLDID-UHFFFAOYSA-N 0 0 406.433 4.715 50 0 HJAARN CSCc1c2ccccc2oc1C(=O)N[C@H](c1nccn1C)c1ccccc1F ZINC000012535690 568845270 /nfs/dbraw/zinc/84/52/70/568845270.db2.gz SMIJHUGCQBQRJQ-IBGZPJMESA-N 0 0 409.486 4.688 50 0 HJAARN Cc1nc(SCC(=O)N(Cc2ccccc2)C(C)(C)C)n(C[C@H]2CCCO2)c1C ZINC000012535295 568845291 /nfs/dbraw/zinc/84/52/91/568845291.db2.gz FEOZNIAGEVJOLK-HXUWFJFHSA-N 0 0 415.603 4.598 50 0 HJAARN Cc1nc2c(C(=O)NCc3ccc(Cl)cc3)cnn2c(C)c1Cc1ccccc1 ZINC000003033611 568845342 /nfs/dbraw/zinc/84/53/42/568845342.db2.gz RTGISLKZIQMLLW-UHFFFAOYSA-N 0 0 404.901 4.520 50 0 HJAARN Cc1cc(C)c(Cc2c(C)nc3c(C(=O)NCc4ccccc4)cnn3c2C)c(C)c1 ZINC000003035555 568845537 /nfs/dbraw/zinc/84/55/37/568845537.db2.gz YSRQPCVGTPDWOS-UHFFFAOYSA-N 0 0 412.537 4.792 50 0 HJAARN O=C(Cc1csc(-c2ccc(Cl)cc2)n1)NCc1ccccc1Cn1ccnc1 ZINC000012535848 568845703 /nfs/dbraw/zinc/84/57/03/568845703.db2.gz XNHRHUKOSIWNTN-UHFFFAOYSA-N 0 0 422.941 4.567 50 0 HJAARN Cc1ccc(CCN2C(=O)CN(C3CCCCC3)C(=O)[C@H]2c2ccccc2C)cc1 ZINC000003036329 568845751 /nfs/dbraw/zinc/84/57/51/568845751.db2.gz FAYZGUIECMUWGT-RUZDIDTESA-N 0 0 404.554 4.591 50 0 HJAARN C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCOc1ccccc1Cl ZINC000012539529 568847090 /nfs/dbraw/zinc/84/70/90/568847090.db2.gz YSDQVBDTOZLNPJ-HNNXBMFYSA-N 0 0 409.873 4.853 50 0 HJAARN CCN(CCCNC(=O)c1cc(-c2ccncc2)nc2ccccc21)c1ccccc1 ZINC000003044497 568848353 /nfs/dbraw/zinc/84/83/53/568848353.db2.gz LGTTVIJCKKWUMC-UHFFFAOYSA-N 0 0 410.521 4.943 50 0 HJAARN Cc1nc2c(C(=O)NCCc3ccccc3)cnn2c(C)c1Cc1cccc(Cl)c1 ZINC000003045300 568848862 /nfs/dbraw/zinc/84/88/62/568848862.db2.gz DUQXXTGTHBNQCO-UHFFFAOYSA-N 0 0 418.928 4.563 50 0 HJAARN O=C(C1CCN(Cn2c(=S)oc3cc(Cl)ccc32)CC1)N1CCCCCC1 ZINC000012543743 568849152 /nfs/dbraw/zinc/84/91/52/568849152.db2.gz ZDIRWNLBDIJGGJ-UHFFFAOYSA-N 0 0 407.967 4.689 50 0 HJAARN CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)Nc3ccccc3Cl)c(C)c2c1 ZINC000003047749 568849184 /nfs/dbraw/zinc/84/91/84/568849184.db2.gz QMVARCLWPSEVEE-UHFFFAOYSA-N 0 0 420.918 4.677 50 0 HJAARN O=C(COC(=O)c1oc2ccccc2c1CSC1CCCCC1)N1CCCC1 ZINC000003280126 568850951 /nfs/dbraw/zinc/85/09/51/568850951.db2.gz JFBIJMVWTVCVPD-UHFFFAOYSA-N 0 0 401.528 4.778 50 0 HJAARN O=C(NCCc1ccccc1)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000003054614 568851706 /nfs/dbraw/zinc/85/17/06/568851706.db2.gz SNXFYHMFYBLSTG-CJLVFECKSA-N 0 0 400.503 4.744 50 0 HJAARN O=C(COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)NCc1ccccc1 ZINC000003286808 568852049 /nfs/dbraw/zinc/85/20/49/568852049.db2.gz OBFYYTKKIBPGLE-UHFFFAOYSA-N 0 0 413.395 4.846 50 0 HJAARN CCOc1ccc(-c2nc(CSCC(=O)NCCc3ccc(C)cc3)c(C)o2)cc1 ZINC000003063479 568853009 /nfs/dbraw/zinc/85/30/09/568853009.db2.gz SEOQUHMGUMKMMJ-UHFFFAOYSA-N 0 0 424.566 4.949 50 0 HJAARN Cc1cc(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2)c(C)n1C[C@H]1CCCO1 ZINC000003313392 568853566 /nfs/dbraw/zinc/85/35/66/568853566.db2.gz VUSQOVPDYCXBBD-QGZVFWFLSA-N 0 0 410.297 4.630 50 0 HJAARN O=C(Cc1csc(COc2ccc(F)cc2)n1)Nc1ccccc1N1CCCC1 ZINC000012552132 568853939 /nfs/dbraw/zinc/85/39/39/568853939.db2.gz RMDRVGLLMNMDSL-UHFFFAOYSA-N 0 0 411.502 4.643 50 0 HJAARN CSc1ccc(CN(C)CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1 ZINC000029973777 568854303 /nfs/dbraw/zinc/85/43/03/568854303.db2.gz ZOTDAPMEELAHGW-UHFFFAOYSA-N 0 0 406.555 4.542 50 0 HJAARN C[C@@H](c1nnc(SCc2ccc(-n3cccn3)cc2)n1-c1ccc(F)cc1)N(C)C ZINC000012554096 568854901 /nfs/dbraw/zinc/85/49/01/568854901.db2.gz JBTSNCMRXWYFBA-INIZCTEOSA-N 0 0 422.533 4.507 50 0 HJAARN CCOc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3ccc(OC)cc3)C[C@@H]21 ZINC000227486251 568855296 /nfs/dbraw/zinc/85/52/96/568855296.db2.gz BZARBMCMBGGJRM-URXFXBBRSA-N 0 0 401.466 4.731 50 0 HJAARN COC(=O)c1ccccc1SCCC(=O)NCCSc1ccc(Cl)cc1 ZINC000003104377 568855517 /nfs/dbraw/zinc/85/55/17/568855517.db2.gz HYVNHQIBXSIAEP-UHFFFAOYSA-N 0 0 409.960 4.517 50 0 HJAARN COc1cccc(-n2ccnc2SCC(=O)N[C@H](C)c2cccc(Cl)c2)c1 ZINC000012556735 568855712 /nfs/dbraw/zinc/85/57/12/568855712.db2.gz PHFDSDOAFJJRQR-CQSZACIVSA-N 0 0 401.919 4.504 50 0 HJAARN CN(C)C(=O)[C@H](Sc1nc(-c2ccc(Br)cc2)c[nH]1)c1ccccc1 ZINC000012556671 568855777 /nfs/dbraw/zinc/85/57/77/568855777.db2.gz XDGZMBGSVWBBRH-QGZVFWFLSA-N 0 0 416.344 4.761 50 0 HJAARN COCc1c(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)sc2cccc(F)c21 ZINC000012556831 568855991 /nfs/dbraw/zinc/85/59/91/568855991.db2.gz WNQGSHOHNPTEIT-AWEZNQCLSA-N 0 0 409.486 4.864 50 0 HJAARN O=S(=O)(c1ccccc1)c1cnc(-c2ccccn2)nc1-c1ccc(Cl)cc1 ZINC000003125519 568856980 /nfs/dbraw/zinc/85/69/80/568856980.db2.gz ZEKVJVOCYLQQHB-UHFFFAOYSA-N 0 0 407.882 4.692 50 0 HJAARN O=C(Nc1cccc(Br)c1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000012559724 568857332 /nfs/dbraw/zinc/85/73/32/568857332.db2.gz WAODLBCQDVOYAD-UHFFFAOYSA-N 0 0 422.282 4.928 50 0 HJAARN O=C(Cc1c(Cl)cccc1Cl)Nc1ccccc1C(=O)NCc1ccco1 ZINC000003384141 568857829 /nfs/dbraw/zinc/85/78/29/568857829.db2.gz ZYKOLSLESCKWRK-UHFFFAOYSA-N 0 0 403.265 4.698 50 0 HJAARN O=C(COC(=O)c1ccc2ncsc2c1)N(C1CCCCC1)C1CCCCC1 ZINC000003445281 568859742 /nfs/dbraw/zinc/85/97/42/568859742.db2.gz QZMMUTHWBWNEQT-UHFFFAOYSA-N 0 0 400.544 4.947 50 0 HJAARN Cc1c2cc(Br)ccc2oc1C(=O)N[C@@H](c1nccn1C)c1ccccc1 ZINC000012575930 568862525 /nfs/dbraw/zinc/86/25/25/568862525.db2.gz UEIXRVJRCCOAHO-GOSISDBHSA-N 0 0 424.298 4.757 50 0 HJAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3cccc(Oc4ccccc4)c3)sc2c1 ZINC000003216018 568862600 /nfs/dbraw/zinc/86/26/00/568862600.db2.gz QWXDGBCYIQEEQE-UHFFFAOYSA-N 0 0 424.503 4.744 50 0 HJAARN Cc1cccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1 ZINC000003219403 568863081 /nfs/dbraw/zinc/86/30/81/568863081.db2.gz FUSONNHXTAWLSL-UHFFFAOYSA-N 0 0 407.853 4.675 50 0 HJAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@H](c3cccc(Cl)c3)N2C1=O ZINC000003636730 568865120 /nfs/dbraw/zinc/86/51/20/568865120.db2.gz FDXHNMGPBAILOV-WBVHZDCISA-N 0 0 406.935 4.578 50 0 HJAARN CN(Cc1ccccc1)C(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000003234633 568865263 /nfs/dbraw/zinc/86/52/63/568865263.db2.gz XFKCOPWGTBRDPM-UHFFFAOYSA-N 0 0 416.502 4.779 50 0 HJAARN CCn1c2ccccc2c2cc(NC(=O)COC(=O)Cc3ccccc3F)ccc21 ZINC000003234721 568865286 /nfs/dbraw/zinc/86/52/86/568865286.db2.gz WWGZPXTUUHCXMN-UHFFFAOYSA-N 0 0 404.441 4.678 50 0 HJAARN COc1ccccc1NC(=O)CSc1nnc(Nc2ccc(C)c(C)c2)s1 ZINC000003234936 568865301 /nfs/dbraw/zinc/86/53/01/568865301.db2.gz JDXRXNXBXSGJJN-UHFFFAOYSA-N 0 0 400.529 4.638 50 0 HJAARN COc1ccc(C(=O)Nc2cccc(OC(F)(F)[C@H](F)C(F)(F)F)c2)cc1OC ZINC000003235312 568865457 /nfs/dbraw/zinc/86/54/57/568865457.db2.gz XVSHOLKUHLBTAR-MRXNPFEDSA-N 0 0 423.309 4.828 50 0 HJAARN COc1cccc(NC(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc32)c1 ZINC000003244866 568866817 /nfs/dbraw/zinc/86/68/17/568866817.db2.gz BOIJGXHGKMOAKD-UHFFFAOYSA-N 0 0 418.474 4.767 50 0 HJAARN COC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 ZINC000003658754 568867086 /nfs/dbraw/zinc/86/70/86/568867086.db2.gz SSQYQQITSVGRBC-HNNXBMFYSA-N 0 0 419.506 4.750 50 0 HJAARN Cc1ccc(-c2nc(SCC(=O)N3CC[C@H](C)Sc4ccccc43)n[nH]2)cc1 ZINC000012594782 568868741 /nfs/dbraw/zinc/86/87/41/568868741.db2.gz SKGQHCDQXQLZJM-HNNXBMFYSA-N 0 0 410.568 4.790 50 0 HJAARN CCOCCCn1c(SCc2nc3ccccc3s2)nnc1-c1ccncc1 ZINC000003261858 568869374 /nfs/dbraw/zinc/86/93/74/568869374.db2.gz QZFCVEVVAAVOLX-UHFFFAOYSA-N 0 0 411.556 4.669 50 0 HJAARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccccc1Sc1nncn1C ZINC000012601438 568870048 /nfs/dbraw/zinc/87/00/48/568870048.db2.gz QRUBHWQASSQGAT-UHFFFAOYSA-N 0 0 416.934 4.726 50 0 HJAARN Cn1ccnc1[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)c1ccccc1 ZINC000012604006 568870673 /nfs/dbraw/zinc/87/06/73/568870673.db2.gz MAKRSJAUPBMSFT-FQEVSTJZSA-N 0 0 422.941 4.645 50 0 HJAARN CCOc1ccc(Nc2ncccc2C(=O)OCC(=O)c2ccc(Cl)s2)cc1 ZINC000003274504 568870950 /nfs/dbraw/zinc/87/09/50/568870950.db2.gz IBFYXTJKCFVQJH-UHFFFAOYSA-N 0 0 416.886 4.979 50 0 HJAARN COc1ccc(NC(=O)CSc2ncnc3sc4c(c32)CCC4)cc1Cl ZINC000003277901 568871171 /nfs/dbraw/zinc/87/11/71/568871171.db2.gz XUHDMRUORFOQRZ-UHFFFAOYSA-N 0 0 405.932 4.573 50 0 HJAARN CC(C)(C)C1CCC(C(=O)OCC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000003276146 568871203 /nfs/dbraw/zinc/87/12/03/568871203.db2.gz ISZIWENWNWPDQQ-UHFFFAOYSA-N 0 0 414.315 4.922 50 0 HJAARN CCC[C@@H](CNC(=O)CSc1nnc2ccccn21)c1ccc(Cl)cc1Cl ZINC000003278864 568871273 /nfs/dbraw/zinc/87/12/73/568871273.db2.gz FVPDKCQCUQKIPO-ZDUSSCGKSA-N 0 0 423.369 4.828 50 0 HJAARN COC[C@H](C)NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1 ZINC000012609042 568871557 /nfs/dbraw/zinc/87/15/57/568871557.db2.gz LTFKBYPZHOBPRK-JTQLQIEISA-N 0 0 412.342 4.526 50 0 HJAARN COc1cc(-c2nnc(SCc3nc4ccccc4s3)o2)cc(OC)c1OC ZINC000003280803 568871644 /nfs/dbraw/zinc/87/16/44/568871644.db2.gz SUSVCDYLLIDXHD-UHFFFAOYSA-N 0 0 415.496 4.664 50 0 HJAARN O=S(=O)(Nc1ccccc1Cc1ccccc1)c1ccc(Br)cc1 ZINC000003284188 568872145 /nfs/dbraw/zinc/87/21/45/568872145.db2.gz VZPRRSSVWYAOFH-UHFFFAOYSA-N 0 0 402.313 4.841 50 0 HJAARN CCOc1ccccc1NC(=O)COc1ccccc1CNc1cccc(OC)c1 ZINC000003285649 568872361 /nfs/dbraw/zinc/87/23/61/568872361.db2.gz PDHQZXDQQGLTFE-UHFFFAOYSA-N 0 0 406.482 4.724 50 0 HJAARN Cc1nccn1Cc1cccc(CNC(=O)/C=C/c2cccc(Cl)c2Cl)c1 ZINC000030585081 568873231 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COc1ccc(C(=O)CSc2nnc(Nc3ccc(C)cc3)s2)cc1OC ZINC000003311231 568878563 /nfs/dbraw/zinc/87/85/63/568878563.db2.gz PCNOSUNJNNIZPK-UHFFFAOYSA-N 0 0 401.513 4.582 50 0 HJAARN O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1cccc(Cl)c1Cl ZINC000003318521 568879687 /nfs/dbraw/zinc/87/96/87/568879687.db2.gz MAQNZDOEFAMOIK-UHFFFAOYSA-N 0 0 405.281 4.979 50 0 HJAARN CCN(C(=O)COC(=O)c1cnc(Cl)c(Cl)c1)c1cccc2ccccc21 ZINC000003319281 568879932 /nfs/dbraw/zinc/87/99/32/568879932.db2.gz BXJLEAIBIKSMMX-UHFFFAOYSA-N 0 0 403.265 4.752 50 0 HJAARN COc1cc2c(cc1NC(=O)COC(=O)c1cccnc1SC)oc1ccccc12 ZINC000003323058 568880833 /nfs/dbraw/zinc/88/08/33/568880833.db2.gz VZZKTTACBZKHGN-UHFFFAOYSA-N 0 0 422.462 4.507 50 0 HJAARN CCc1ccc2nc(NC(=O)c3nc(-n4nc(C)cc4C)ccc3Cl)sc2c1 ZINC000003324894 568880923 /nfs/dbraw/zinc/88/09/23/568880923.db2.gz CWDYBUPTQQDPSG-UHFFFAOYSA-N 0 0 411.918 4.962 50 0 HJAARN CCCSc1nnc(CNC(=O)c2ccc(OC)cc2)n1-c1c(C)cccc1CC ZINC000004059397 568881027 /nfs/dbraw/zinc/88/10/27/568881027.db2.gz 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CCc1ccc(-c2nc(C)c(C(=O)N(C)CC(=O)Nc3cccc(F)c3)s2)cc1 ZINC000012759360 568943846 /nfs/dbraw/zinc/94/38/46/568943846.db2.gz OWMWKJDHJORWCF-UHFFFAOYSA-N 0 0 411.502 4.531 50 0 HJAARN COC(=O)c1ccc(COc2ccc([C@H]3O[C@H](C)CC(C)(C)O3)cc2OC)cc1 ZINC000004124555 568945200 /nfs/dbraw/zinc/94/52/00/568945200.db2.gz BOSRAXUTTJUQRJ-QRQCRPRQSA-N 0 0 400.471 4.663 50 0 HJAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)/C=C/c2ccccc2Br)c1 ZINC000012761050 568945378 /nfs/dbraw/zinc/94/53/78/568945378.db2.gz NWMOUFQMFCSHER-DLENHJPASA-N 0 0 416.315 4.843 50 0 HJAARN Cc1ccccc1-n1c(S[C@@H](C)C(=O)Nc2ccccc2)nnc1-c1cccnc1 ZINC000012761173 568945435 /nfs/dbraw/zinc/94/54/35/568945435.db2.gz JZHXQFVWDWVQJK-KRWDZBQOSA-N 0 0 415.522 4.757 50 0 HJAARN CCCc1cc(=O)[nH]c(S[C@H](C(=O)Nc2ccccc2OCC)c2ccccc2)n1 ZINC000012761255 568945513 /nfs/dbraw/zinc/94/55/13/568945513.db2.gz QNKJDLISAHXEEH-NRFANRHFSA-N 0 0 423.538 4.593 50 0 HJAARN Cc1nc(-c2c[nH]c(C(=O)N3CCCCC[C@H]3C[C@@H](O)c3ccccc3)c2)cs1 ZINC000084274925 568945567 /nfs/dbraw/zinc/94/55/67/568945567.db2.gz OGLXIALFLDWJMJ-SIKLNZKXSA-N 0 0 409.555 4.955 50 0 HJAARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2C)c(C)c1 ZINC000004138371 568945673 /nfs/dbraw/zinc/94/56/73/568945673.db2.gz BUTOFHVOCNYOFB-UHFFFAOYSA-N 0 0 405.527 4.619 50 0 HJAARN Cn1cccc1-c1csc(NC(=O)C2(c3cccc(Br)c3)CC2)n1 ZINC000084321875 568946227 /nfs/dbraw/zinc/94/62/27/568946227.db2.gz VRHMYNGONOMZML-UHFFFAOYSA-N 0 0 402.317 4.581 50 0 HJAARN COc1cc2ccccc2cc1C(=O)Nc1ccc(I)cc1 ZINC000004150567 568946908 /nfs/dbraw/zinc/94/69/08/568946908.db2.gz JRDZZGDPAGGMSP-UHFFFAOYSA-N 0 0 403.219 4.705 50 0 HJAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2ccccc2)cc1 ZINC000004162492 568947508 /nfs/dbraw/zinc/94/75/08/568947508.db2.gz YFDWRXWJJZFSNM-UHFFFAOYSA-N 0 0 400.434 4.875 50 0 HJAARN Cc1ccc(Oc2ccccc2NC(=O)CCS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012765019 568947885 /nfs/dbraw/zinc/94/78/85/568947885.db2.gz MPJFMQFQKQQXRD-UHFFFAOYSA-N 0 0 409.507 4.898 50 0 HJAARN O=C(c1ccc(Cl)cc1)N1CCN(Cc2cnoc2-c2ccc(Cl)s2)CC1 ZINC000084387919 568948469 /nfs/dbraw/zinc/94/84/69/568948469.db2.gz QHPGDXLQUCGLMC-UHFFFAOYSA-N 0 0 422.337 4.668 50 0 HJAARN COc1cc(OC)cc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2C)CSC3)c1 ZINC000004176156 568948629 /nfs/dbraw/zinc/94/86/29/568948629.db2.gz UDWUGYWCBYXVEA-UHFFFAOYSA-N 0 0 409.511 4.505 50 0 HJAARN O=C1CS[C@@H](c2ccc(F)cc2)N1c1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000004181605 568949446 /nfs/dbraw/zinc/94/94/46/568949446.db2.gz BXVSXODMCLQYGT-GZDOSPBESA-N 0 0 415.559 4.924 50 0 aggregator HJAARN Nc1c(Cl)cc(NC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)cc1Cl ZINC000084514962 568949834 /nfs/dbraw/zinc/94/98/34/568949834.db2.gz SCFOUCHMONSFTB-UHFFFAOYSA-N 0 0 422.703 4.939 50 0 HJAARN CCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1Nc1ccc2c(c1)OCO2 ZINC000004192463 568950482 /nfs/dbraw/zinc/95/04/82/568950482.db2.gz XSVCMUUGJUXGOO-UHFFFAOYSA-N 0 0 400.818 4.546 50 0 HJAARN CCCCCOc1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1 ZINC000004200612 568951602 /nfs/dbraw/zinc/95/16/02/568951602.db2.gz FKPLULRCLVIODN-UHFFFAOYSA-N 0 0 418.540 4.521 50 0 HJAARN CCOC(=O)CCCSc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1C ZINC000004209114 568951938 /nfs/dbraw/zinc/95/19/38/568951938.db2.gz MFJTUOVURDCVDU-UHFFFAOYSA-N 0 0 411.527 4.687 50 0 HJAARN CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc2ccccc21 ZINC000004262983 568955707 /nfs/dbraw/zinc/95/57/07/568955707.db2.gz BOETXHNJCJUPCP-QFIPXVFZSA-N 0 0 417.534 4.670 50 0 HJAARN Cc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccc(N(C)C)cc3)nc21 ZINC000004273225 568957622 /nfs/dbraw/zinc/95/76/22/568957622.db2.gz AIGVIJUYCYFJEN-UHFFFAOYSA-N 0 0 402.523 4.913 50 0 HJAARN O=C(CSc1nc2ccccc2c(-c2ccccc2)n1)Nc1ccc2c(c1)OCO2 ZINC000004275537 568958035 /nfs/dbraw/zinc/95/80/35/568958035.db2.gz PVQHVIHYVIEMOH-UHFFFAOYSA-N 0 0 415.474 4.756 50 0 HJAARN CCC(=O)N(c1nnc(SCC(=O)c2c(C)c(C)cc(C)c2C)s1)C1CC1 ZINC000012781734 568958242 /nfs/dbraw/zinc/95/82/42/568958242.db2.gz YLDNFXBLXZUVEW-UHFFFAOYSA-N 0 0 403.573 4.652 50 0 HJAARN C[C@@H](NC(=O)CCn1cnc2scc(-c3ccc(F)cc3)c2c1=O)c1ccccc1 ZINC000012782342 568958336 /nfs/dbraw/zinc/95/83/36/568958336.db2.gz JBXUDSBBBROZMR-OAHLLOKOSA-N 0 0 421.497 4.532 50 0 HJAARN CCOCCCNC(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000084801310 568960234 /nfs/dbraw/zinc/96/02/34/568960234.db2.gz NUAHUYZYDSRODN-UHFFFAOYSA-N 0 0 418.493 4.888 50 0 HJAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)cc1 ZINC000004309918 568960626 /nfs/dbraw/zinc/96/06/26/568960626.db2.gz SZROQWMUWSYVOU-UHFFFAOYSA-N 0 0 404.289 4.538 50 0 HJAARN CCOc1ccc(CC(=O)NCCSc2nc(-c3ccc(Cl)cc3)c[nH]2)cc1 ZINC000004315805 568961711 /nfs/dbraw/zinc/96/17/11/568961711.db2.gz WSDMVZAWYQLVSE-UHFFFAOYSA-N 0 0 415.946 4.580 50 0 HJAARN CC(C)[C@@H](NC(=O)Cc1csc(-c2ccc(F)cc2)n1)c1nc2ccccc2[nH]1 ZINC000007986457 568964645 /nfs/dbraw/zinc/96/46/45/568964645.db2.gz CEZGQFGSIYRKCL-HXUWFJFHSA-N 0 0 408.502 4.882 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000007987309 568965101 /nfs/dbraw/zinc/96/51/01/568965101.db2.gz JFNQVOXZFNVCOS-DEOSSOPVSA-N 0 0 415.541 4.812 50 0 HJAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000007987868 568965452 /nfs/dbraw/zinc/96/54/52/568965452.db2.gz VZKWBPDNYZYMIQ-HNNXBMFYSA-N 0 0 417.490 4.544 50 0 HJAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)CCCc1nc2ccccc2s1 ZINC000007988280 568965793 /nfs/dbraw/zinc/96/57/93/568965793.db2.gz MVZADHAMFAYBPV-UHFFFAOYSA-N 0 0 410.499 4.701 50 0 HJAARN COc1ccc(NC(=O)c2nc(-c3cccc(F)c3)n3c2CCCCC3)c(OC)c1 ZINC000015679051 568966681 /nfs/dbraw/zinc/96/66/81/568966681.db2.gz BOPYGYUQZSJNDM-UHFFFAOYSA-N 0 0 409.461 4.685 50 0 HJAARN Cc1cccc(C)c1NC(=O)COC(=O)c1c2ccccc2nc2c1C[C@H](C)CC2 ZINC000008008043 568968080 /nfs/dbraw/zinc/96/80/80/568968080.db2.gz CBNMIDZTYOMUMN-OAHLLOKOSA-N 0 0 402.494 4.772 50 0 HJAARN COc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)Nc1ccc(C)c(Cl)c1)n2C ZINC000015681758 568968365 /nfs/dbraw/zinc/96/83/65/568968365.db2.gz ZTBNEGSIQATXFS-UHFFFAOYSA-N 0 0 411.889 4.528 50 0 HJAARN Cc1oc(-c2ccccc2F)nc1CN1CCC(C(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000005043954 568969007 /nfs/dbraw/zinc/96/90/07/568969007.db2.gz MFMHHJWWDUFITB-IIBYNOLFSA-N 0 0 413.537 4.696 50 0 HJAARN CCOC(=O)Cc1ccc(NC(=O)Nc2c3ccccc3[nH]c2-c2ccncc2)cc1 ZINC000066400609 568969491 /nfs/dbraw/zinc/96/94/91/568969491.db2.gz UGXREDNRSIZYJR-UHFFFAOYSA-N 0 0 414.465 4.980 50 0 HJAARN CCOc1ccc([C@H](C)NC(=O)c2ccc(OC)c(Br)c2)cc1OCC ZINC000008031525 568969562 /nfs/dbraw/zinc/96/95/62/568969562.db2.gz KYRIVZTUKGFZQO-ZDUSSCGKSA-N 0 0 422.319 4.746 50 0 HJAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 ZINC000008074053 568972005 /nfs/dbraw/zinc/97/20/05/568972005.db2.gz ZDTCOYRLNAKBSP-YWZLYKJASA-N 0 0 410.539 4.885 50 0 HJAARN O=S(=O)(C1=Cc2ccccc2CC1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000008074756 568972108 /nfs/dbraw/zinc/97/21/08/568972108.db2.gz NIGSCFVVTYXLKC-UHFFFAOYSA-N 0 0 410.564 4.793 50 0 HJAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(OCc3ccccc3)cc2)c(C)c1 ZINC000008087270 568973303 /nfs/dbraw/zinc/97/33/03/568973303.db2.gz XUEXBEYTHRMXCP-UHFFFAOYSA-N 0 0 416.521 4.902 50 0 HJAARN CN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)Cc1ccc2ccccc2c1 ZINC000008127312 568974728 /nfs/dbraw/zinc/97/47/28/568974728.db2.gz VDSIPRVOJIRJBX-UHFFFAOYSA-N 0 0 415.537 4.583 50 0 HJAARN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)C1=Cc2cc(Cl)ccc2OC1 ZINC000008129020 568974932 /nfs/dbraw/zinc/97/49/32/568974932.db2.gz SADGOQYTWKDKKS-UHFFFAOYSA-N 0 0 420.900 4.739 50 0 HJAARN Cc1nc(SCC(=O)N[C@H](C)c2ccc(Br)cc2)n(CC(C)C)c1C ZINC000008131074 568975248 /nfs/dbraw/zinc/97/52/48/568975248.db2.gz QOOFJZLVDFPJFF-CQSZACIVSA-N 0 0 424.408 4.888 50 0 HJAARN COc1ccc(OC)c([C@@H]2CCCN2Cn2nc(-c3ccc(C)cc3)[nH]c2=S)c1 ZINC000008151155 568977488 /nfs/dbraw/zinc/97/74/88/568977488.db2.gz HFSZAAHBGGOUOV-IBGZPJMESA-N 0 0 410.543 4.728 50 0 HJAARN COc1ccc(OC)c([C@H]2CCCN2Cn2nc(C)n(Cc3ccccc3)c2=S)c1 ZINC000008151146 568977535 /nfs/dbraw/zinc/97/75/35/568977535.db2.gz VRLGIBHFUBATJW-OAQYLSRUSA-N 0 0 424.570 4.583 50 0 HJAARN O=C1c2ccccc2N[C@H](c2ccc(OCc3cn4ccccc4n3)cc2)N1C1CC1 ZINC000008156331 568977872 /nfs/dbraw/zinc/97/78/72/568977872.db2.gz ZWCYCRCKNQPOJG-DEOSSOPVSA-N 0 0 410.477 4.642 50 0 HJAARN COc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cc1 ZINC000001443356 568979039 /nfs/dbraw/zinc/97/90/39/568979039.db2.gz SAJAIGJMHDAQCV-XMMPIXPASA-N 0 0 418.493 4.892 50 0 HJAARN Cc1ccc(N(C(=O)c2nc3nccc(C)n3n2)c2nc3ccccc3s2)cc1C ZINC000012807649 568980220 /nfs/dbraw/zinc/98/02/20/568980220.db2.gz RGMDUTASEICLNA-UHFFFAOYSA-N 0 0 414.494 4.638 50 0 HJAARN O=C(NCCOc1ccc2ccccc2c1)c1ccc(OCc2cscn2)cc1 ZINC000008187625 568980682 /nfs/dbraw/zinc/98/06/82/568980682.db2.gz AISPWNSJECHMFU-UHFFFAOYSA-N 0 0 404.491 4.684 50 0 HJAARN COCc1c2ccccc2oc1C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000008187203 568980702 /nfs/dbraw/zinc/98/07/02/568980702.db2.gz KJGFWEPKTRBDDI-UHFFFAOYSA-N 0 0 408.435 4.684 50 0 HJAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)NCCCn1ccc2ccccc21 ZINC000008191005 568981225 /nfs/dbraw/zinc/98/12/25/568981225.db2.gz JPXCRIRRCFPRCY-UHFFFAOYSA-N 0 0 401.514 4.664 50 0 HJAARN COc1ccccc1N1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000008194662 568982048 /nfs/dbraw/zinc/98/20/48/568982048.db2.gz SQSORHXXNBKOAL-UHFFFAOYSA-N 0 0 419.506 4.527 50 0 HJAARN CCOC(=O)CSc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1 ZINC000006046828 568982432 /nfs/dbraw/zinc/98/24/32/568982432.db2.gz TZCHQSWUWMRNOH-UHFFFAOYSA-N 0 0 406.916 4.857 50 0 HJAARN Fc1ccc(-c2csc3ncnc(Sc4nnc(CN5CCCC5)o4)c23)cc1 ZINC000008201028 568982535 /nfs/dbraw/zinc/98/25/35/568982535.db2.gz NSHNKDKQUZGQFF-UHFFFAOYSA-N 0 0 413.503 4.627 50 0 HJAARN O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc(F)cc1 ZINC000006046770 568982564 /nfs/dbraw/zinc/98/25/64/568982564.db2.gz DGJGACHZWRHNOF-UHFFFAOYSA-N 0 0 404.850 4.532 50 0 HJAARN C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccccc1OCc1ccccc1Cl ZINC000006047876 568982839 /nfs/dbraw/zinc/98/28/39/568982839.db2.gz KGVKPCFQSOCSQR-IAGOWNOFSA-N 0 0 415.917 4.865 50 0 HJAARN CCc1cc2c(cc1S(=O)(=O)Nc1ccc(Cl)cc1F)[nH]c1c2C(=O)CCC1 ZINC000015733858 568983317 /nfs/dbraw/zinc/98/33/17/568983317.db2.gz UWIQAPXDQFHHNQ-UHFFFAOYSA-N 0 0 420.893 4.843 50 0 HJAARN C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000008230571 568983655 /nfs/dbraw/zinc/98/36/55/568983655.db2.gz DZVBWVGVISLWPC-KKSFZXQISA-N 0 0 418.566 4.819 50 0 HJAARN O=C(Nc1ccc(Cl)cc1F)C1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000015734826 568983992 /nfs/dbraw/zinc/98/39/92/568983992.db2.gz KHRNXZNLEJNPDO-UHFFFAOYSA-N 0 0 416.909 4.853 50 0 HJAARN COc1ccccc1-c1c(=O)c2ccc(OC(=O)C3CC3)cc2oc1C(F)(F)F ZINC000001447989 568985175 /nfs/dbraw/zinc/98/51/75/568985175.db2.gz GWHJJVQCZMDZPX-UHFFFAOYSA-N 0 0 404.340 4.803 50 0 HJAARN COc1cccc(Oc2coc3cc(OC(=O)c4cccc(OC)c4)ccc3c2=O)c1 ZINC000001448044 568985372 /nfs/dbraw/zinc/98/53/72/568985372.db2.gz QVSFXYIZCNOPEZ-UHFFFAOYSA-N 0 0 418.401 4.822 50 0 biogenic HJAARN C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1c(F)cccc1F ZINC000008255884 568985546 /nfs/dbraw/zinc/98/55/46/568985546.db2.gz CXKAVACCXBMEBM-SNVBAGLBSA-N 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Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000008316609 568990244 /nfs/dbraw/zinc/99/02/44/568990244.db2.gz AEPQCNMSVMKPKV-UHFFFAOYSA-N 0 0 402.809 4.856 50 0 HJAARN C[C@H]1CCc2c(sc3ncnc(SCC(=O)Nc4c(F)cccc4F)c23)C1 ZINC000001465341 568990507 /nfs/dbraw/zinc/99/05/07/568990507.db2.gz CMAUAMKYABGOCR-JTQLQIEISA-N 0 0 405.495 4.825 50 0 HJAARN COc1ccc2c(C)cc(SCC(=O)c3cc(OC)c(OC)c(OC)c3)nc2c1 ZINC000001465774 568990743 /nfs/dbraw/zinc/99/07/43/568990743.db2.gz OUPFSPZFXCJYGG-UHFFFAOYSA-N 0 0 413.495 4.553 50 0 HJAARN CCC[C@@H](NC(=O)COC(=O)c1ccc(C2SCCS2)cc1)c1ccccc1 ZINC000008332566 568993169 /nfs/dbraw/zinc/99/31/69/568993169.db2.gz TZCIZROCXQGTMO-LJQANCHMSA-N 0 0 415.580 4.980 50 0 HJAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1nn2cc(-c3ccccc3)nc2s1 ZINC000008338316 568993270 /nfs/dbraw/zinc/99/32/70/568993270.db2.gz OPCLLYXQXGNFEW-UHFFFAOYSA-N 0 0 402.401 4.658 50 0 HJAARN COc1ccc([C@@H]2CCCCCN2C(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1 ZINC000008339655 568993279 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COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000006083059 568996758 /nfs/dbraw/zinc/99/67/58/568996758.db2.gz FTKFHNWBZCLRNN-UHFFFAOYSA-N 0 0 423.431 4.736 50 0 HJAARN O=C(Cn1c(=O)oc2ccccc21)Nc1sccc1-c1nc2ccccc2s1 ZINC000038493098 568997930 /nfs/dbraw/zinc/99/79/30/568997930.db2.gz GRMGCELSLYMXEH-UHFFFAOYSA-N 0 0 407.476 4.571 50 0 HJAARN Cc1ccc(Nc2nc(CSc3nnc(-c4ccccc4F)n3N)cs2)cc1 ZINC000008393926 568998627 /nfs/dbraw/zinc/99/86/27/568998627.db2.gz CLGJMJNXAFGHHL-UHFFFAOYSA-N 0 0 412.519 4.599 50 0 HJAARN COc1ccc(NC(=O)NCCn2c3ccccc3nc2-c2ccc(C)cc2)cc1 ZINC000015774782 568999152 /nfs/dbraw/zinc/99/91/52/568999152.db2.gz NEJMEVXRZCPHIC-UHFFFAOYSA-N 0 0 400.482 4.842 50 0 HJAARN CCc1ccc(N2C3=C(C(=O)OC3)[C@@H](c3ccc(Cl)cc3Cl)CC2=O)cc1 ZINC000035142567 568999917 /nfs/dbraw/zinc/99/99/17/568999917.db2.gz OUKKERRZKUQOEL-MRXNPFEDSA-N 0 0 402.277 4.887 50 0 HJAARN CCc1cc([C@@H](c2ccc(F)cc2)N2CCOCC2)c(NC(=O)c2ccco2)s1 ZINC000038546044 569000015 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O=C(CSc1ccc2ccccc2n1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008447849 569003735 /nfs/dbraw/zinc/00/37/35/569003735.db2.gz UQKMTGRUDIUFFV-FQEVSTJZSA-N 0 0 420.534 4.852 50 0 HJAARN Cc1cc(-n2c(C)cc(C(=O)CSc3ncnc4sc(C)c(C)c43)c2C)no1 ZINC000006113532 569004960 /nfs/dbraw/zinc/00/49/60/569004960.db2.gz GBPMTJBFLLULCM-UHFFFAOYSA-N 0 0 412.540 4.987 50 0 HJAARN O=C(NCc1ccc2c(c1)OCO2)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000012822689 569006729 /nfs/dbraw/zinc/00/67/29/569006729.db2.gz JZBWRLGTXNZZBH-UHFFFAOYSA-N 0 0 404.447 4.729 50 0 HJAARN O=C(CCc1ncc(-c2ccccc2)o1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000012823464 569007007 /nfs/dbraw/zinc/00/70/07/569007007.db2.gz SWGWEMORXSJOEL-UHFFFAOYSA-N 0 0 400.482 4.557 50 0 HJAARN COc1ccc(N2C(=O)[C@@H]3CCCN3[C@H]2c2cccc(Br)c2)cc1Cl ZINC000085988226 569010038 /nfs/dbraw/zinc/01/00/38/569010038.db2.gz YOVOWDVHPIBNCW-FUHWJXTLSA-N 0 0 421.722 4.621 50 0 HJAARN COc1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1F ZINC000012853687 569010818 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O=C(Nc1c2ccccc2oc1[C@@H](c1ccccc1)N1CCOCC1)c1ccco1 ZINC000015859298 569015060 /nfs/dbraw/zinc/01/50/60/569015060.db2.gz ASRZTWLUPSQXKZ-JOCHJYFZSA-N 0 0 402.450 4.700 50 0 HJAARN Cc1ccccc1NC(=O)CSC1=NC(c2ccccc2)=NCN1c1ccccc1 ZINC000015860591 569015371 /nfs/dbraw/zinc/01/53/71/569015371.db2.gz LPWNUPYZJBLPKE-UHFFFAOYSA-N 0 0 414.534 4.947 50 0 HJAARN Cc1ccc(NC(=O)CSC2=NC(c3ccccc3)=NCN2c2ccccc2)cc1 ZINC000015860582 569015383 /nfs/dbraw/zinc/01/53/83/569015383.db2.gz XKEUUIINTRMRFX-UHFFFAOYSA-N 0 0 414.534 4.947 50 0 HJAARN Cc1ccc(OC[C@H](O)Cn2c(COc3ccccc3)nc3ccccc32)cc1C ZINC000015860757 569015397 /nfs/dbraw/zinc/01/53/97/569015397.db2.gz MZFKVUONFYWUPH-HXUWFJFHSA-N 0 0 402.494 4.672 50 0 HJAARN CCc1cccc(NC(=O)CN2CC=C(c3cnn(-c4ccccc4Cl)c3)CC2)c1 ZINC000015862817 569016032 /nfs/dbraw/zinc/01/60/32/569016032.db2.gz TXJWDPUDTMYRGF-UHFFFAOYSA-N 0 0 420.944 4.816 50 0 HJAARN C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1oc2ccccc2c1COc1ccccc1 ZINC000006164521 569016131 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O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cccc(C(F)(F)F)c1 ZINC000015880218 569017958 /nfs/dbraw/zinc/01/79/58/569017958.db2.gz ZTVBLIZBGMYWDN-UHFFFAOYSA-N 0 0 417.456 4.973 50 0 HJAARN CCCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(OCC)cc2)o1 ZINC000015881447 569018451 /nfs/dbraw/zinc/01/84/51/569018451.db2.gz KKLOKUWMWKJTMA-UHFFFAOYSA-N 0 0 404.470 4.681 50 0 HJAARN Cc1cccc(C)c1NC(=O)c1ccc(=O)n(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000015883279 569019268 /nfs/dbraw/zinc/01/92/68/569019268.db2.gz QHPHWKGJYKASIR-UHFFFAOYSA-N 0 0 400.400 4.785 50 0 HJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 ZINC000015883227 569019275 /nfs/dbraw/zinc/01/92/75/569019275.db2.gz QNGYGAMZDVJXKI-UHFFFAOYSA-N 0 0 422.790 4.701 50 0 HJAARN CC(C)c1cccc(C(C)C)c1NC(=O)CSCc1nnnn1-c1ccccc1 ZINC000012900594 569020729 /nfs/dbraw/zinc/02/07/29/569020729.db2.gz OYIGUXWNSDUYHP-UHFFFAOYSA-N 0 0 409.559 4.781 50 0 HJAARN Cc1cc(NC(=O)CN[C@@H](c2cccs2)c2ccccc2)n(-c2ccccc2)n1 ZINC000012904841 569021148 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CCN(CC)C(=O)CSc1nnc(-c2ccco2)n1-c1cccc(C(F)(F)F)c1 ZINC000035691092 569052328 /nfs/dbraw/zinc/05/23/28/569052328.db2.gz COVORHYVUXBVBU-UHFFFAOYSA-N 0 0 424.448 4.507 50 0 HJAARN COC(=O)c1ccc(COc2c(=O)c3ccccc3oc2-c2ccc(OC)cc2)cc1 ZINC000001791361 569053164 /nfs/dbraw/zinc/05/31/64/569053164.db2.gz RQZGGHJEOGTLMR-UHFFFAOYSA-N 0 0 416.429 4.834 50 0 HJAARN CC[C@H](C(=O)c1ccccc1)[C@@H]1c2cc(Br)ccc2OC(=O)[C@H]1C(C)=O ZINC000239331223 569054194 /nfs/dbraw/zinc/05/41/94/569054194.db2.gz KIBXHWGMCRKKCS-ZYSHUDEJSA-N 0 0 415.283 4.566 50 0 HJAARN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000239386727 569054291 /nfs/dbraw/zinc/05/42/91/569054291.db2.gz QEESWAQDXJEJPT-URXFXBBRSA-N 0 0 420.896 5.600 50 0 HJAARN Cc1sc(NC(=O)c2ccco2)c(CN2CCN(c3ccccc3F)CC2)c1C ZINC000054072982 569056976 /nfs/dbraw/zinc/05/69/76/569056976.db2.gz DIJJPECVZRLDED-UHFFFAOYSA-N 0 0 413.518 4.672 50 0 HJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(-c2ccc(Cl)s2)o1 ZINC000006480323 569059260 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/nfs/dbraw/zinc/06/35/51/569063551.db2.gz PWUBGEJEUXKLDY-UHFFFAOYSA-N 0 0 407.445 4.530 50 0 HJAARN O=C(NCCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCCC[C@H]12 ZINC000035871195 569064032 /nfs/dbraw/zinc/06/40/32/569064032.db2.gz BQYAJVVRNRJYKE-PZJWPPBQSA-N 0 0 402.460 4.596 50 0 HJAARN CC[C@H](C)N1Cc2cc(NC(=O)c3ccc(Cl)cc3)ccc2O[C@@H](CC)C1=O ZINC000035873700 569064264 /nfs/dbraw/zinc/06/42/64/569064264.db2.gz RMDGHKGTOOKQRY-LIRRHRJNSA-N 0 0 400.906 4.890 50 0 HJAARN C[C@@H]1Oc2ccc(NC(=O)C3CCCC3)cc2CN(Cc2ccccc2Cl)C1=O ZINC000035885427 569064619 /nfs/dbraw/zinc/06/46/19/569064619.db2.gz ZKEAGQCZEASVTH-HNNXBMFYSA-N 0 0 412.917 4.778 50 0 HJAARN O=C(Nc1ccc2c(c1)CN([C@@H]1CCCc3ccccc31)C(=O)CO2)c1cccs1 ZINC000035885705 569064641 /nfs/dbraw/zinc/06/46/41/569064641.db2.gz TXNBSISCBQUCKD-HXUWFJFHSA-N 0 0 418.518 4.799 50 0 HJAARN CCOC(=O)C1=C(NC(=O)c2ccc(OC(C)C)cc2)Nc2ccccc2N=C1CC ZINC000006543369 569064973 /nfs/dbraw/zinc/06/49/73/569064973.db2.gz XKYLGJCVSWFZNF-UHFFFAOYSA-N 0 0 421.497 4.587 50 0 HJAARN C[C@@H]1Oc2ccc(NC(=O)CC(C)(C)C)cc2CN(CCc2ccc(F)cc2)C1=O ZINC000035909402 569065615 /nfs/dbraw/zinc/06/56/15/569065615.db2.gz RSQBDBRDCKMNAA-INIZCTEOSA-N 0 0 412.505 4.553 50 0 HJAARN C[C@H](c1ccc(F)cc1)N1Cc2cc(NC(=O)c3ccccc3F)ccc2OCC1=O ZINC000035909674 569065895 /nfs/dbraw/zinc/06/58/95/569065895.db2.gz XWQWKBPTJFOLIA-OAHLLOKOSA-N 0 0 422.431 4.699 50 0 HJAARN COc1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3cccc(F)c3)c2)cc1 ZINC000035912316 569066038 /nfs/dbraw/zinc/06/60/38/569066038.db2.gz QLYSXGWGMZSMEJ-QHCPKHFHSA-N 0 0 422.481 4.865 50 0 HJAARN CCOC(=O)[C@H](CC)Sc1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 ZINC000035924536 569066181 /nfs/dbraw/zinc/06/61/81/569066181.db2.gz PLJAEPHRGUMJCX-NSHDSACASA-N 0 0 420.343 4.531 50 0 HJAARN COc1cccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3cccc(F)c3)cc2)c1 ZINC000035927295 569066572 /nfs/dbraw/zinc/06/65/72/569066572.db2.gz JZRVZXJXGXIXSA-HSZRJFAPSA-N 0 0 422.481 4.865 50 0 HJAARN Nc1c2c(nn1-c1ccc(C(F)(F)F)cc1)nc(N1CCCC1)nc2-c1ccccc1 ZINC000035929588 569066664 /nfs/dbraw/zinc/06/66/64/569066664.db2.gz LWGXZGIWWMLCED-UHFFFAOYSA-N 0 0 424.430 4.684 50 0 HJAARN Nc1c2c(nn1-c1ccc(Cl)cc1)nc(NCC1CC1)nc2-c1ccc(F)cc1 ZINC000035930064 569066747 /nfs/dbraw/zinc/06/67/47/569066747.db2.gz QECPGSQHKKQQRT-UHFFFAOYSA-N 0 0 408.868 4.679 50 0 HJAARN C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)c2ccc(-c3ccccc3)cc2)C1=O ZINC000006580525 569066875 /nfs/dbraw/zinc/06/68/75/569066875.db2.gz NFMBJCPFXHEFRC-XMMPIXPASA-N 0 0 418.880 4.657 50 0 HJAARN COc1cc(NC(=O)c2cc(N3CCCCC3)c3cc(C)ccc3n2)cc(OC)c1 ZINC000064568335 569067576 /nfs/dbraw/zinc/06/75/76/569067576.db2.gz RNUUSRSAGINAOI-UHFFFAOYSA-N 0 0 405.498 4.803 50 0 HJAARN CCOc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(OCc3cscn3)cc2)cc1 ZINC000006589962 569068213 /nfs/dbraw/zinc/06/82/13/569068213.db2.gz LIMUNHFIGPHYKY-HNNXBMFYSA-N 0 0 411.479 4.549 50 0 HJAARN CC(C)N(Cc1c(-c2ccccc2)nn(C)c1N(C)C)C(=O)c1ccccc1Cl ZINC000035965426 569069106 /nfs/dbraw/zinc/06/91/06/569069106.db2.gz YZPFEOMNUDZARK-UHFFFAOYSA-N 0 0 410.949 4.857 50 0 HJAARN Cc1ccc(C)c(CSc2nnc3c(=O)n(-c4cc(Cl)ccc4C)ccn23)c1 ZINC000064593798 569069617 /nfs/dbraw/zinc/06/96/17/569069617.db2.gz OIIDHOKMQODHPX-UHFFFAOYSA-N 0 0 410.930 4.751 50 0 HJAARN CCc1nc2sc([C@H](c3ccc(C(F)(F)F)cc3)[N@@H+]3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000016690048 569070622 /nfs/dbraw/zinc/07/06/22/569070622.db2.gz FBNLDIQREBTOAP-WBMJQRKESA-N 0 0 424.492 4.899 50 0 HJAARN O=C(NCCc1ccccc1)c1cccc(Nc2ncc(-c3ccc(F)cc3)cn2)c1 ZINC000064605895 569071133 /nfs/dbraw/zinc/07/11/33/569071133.db2.gz HXOIXHSERCTWSA-UHFFFAOYSA-N 0 0 412.468 4.999 50 0 HJAARN C[C@H]1S[C@@]2(C(=O)Nc3ccccc32)N(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000004619982 569071399 /nfs/dbraw/zinc/07/13/99/569071399.db2.gz UHUUJICAINTWHD-CMJOXMDJSA-N 0 0 402.475 4.752 50 0 HJAARN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(=O)C(C)C ZINC000035980652 569071893 /nfs/dbraw/zinc/07/18/93/569071893.db2.gz FOTZCDCPEUFMRA-UHFFFAOYSA-N 0 0 421.541 4.819 50 0 HJAARN COc1ccc(CNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1OC ZINC000006610443 569074169 /nfs/dbraw/zinc/07/41/69/569074169.db2.gz FOLUSUBTELUIMG-UHFFFAOYSA-N 0 0 419.506 4.548 50 0 HJAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(C(=O)c2ccccc2Cl)C(C)C)c1C ZINC000035993266 569074831 /nfs/dbraw/zinc/07/48/31/569074831.db2.gz MOTXSESBGVFQOP-HNNXBMFYSA-N 0 0 418.921 4.584 50 0 HJAARN Cc1coc2c1cc1c(C)c(CCC(=O)Nc3nc4ccccc4[nH]3)c(=O)oc1c2C ZINC000006624429 569075610 /nfs/dbraw/zinc/07/56/10/569075610.db2.gz BIKNXBWNBQJNBG-UHFFFAOYSA-N 0 0 415.449 4.912 50 0 biogenic HJAARN COc1ccc(OC)c(-c2cc(CN(CC(C)C)C(=O)c3ccc(F)cc3)no2)c1 ZINC000036012149 569075730 /nfs/dbraw/zinc/07/57/30/569075730.db2.gz KCXONXWWOLUVMV-UHFFFAOYSA-N 0 0 412.461 4.796 50 0 HJAARN O=C(CSc1ccccc1Cl)Nc1ccccc1I ZINC000006626594 569075933 /nfs/dbraw/zinc/07/59/33/569075933.db2.gz IKYXUNPMISFMNW-UHFFFAOYSA-N 0 0 403.672 4.675 50 0 HJAARN O=C1C[C@@H](c2cc(Cl)ccc2F)c2scc(S(=O)(=O)c3ccccc3)c2N1 ZINC000064656683 569076896 /nfs/dbraw/zinc/07/68/96/569076896.db2.gz QQOURSUGCHBYDX-AWEZNQCLSA-N 0 0 421.902 4.848 50 0 HJAARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2cccc(F)c2F)cc1 ZINC000064656762 569076955 /nfs/dbraw/zinc/07/69/55/569076955.db2.gz FVKNCAABKVBIOX-AWEZNQCLSA-N 0 0 419.474 4.642 50 0 HJAARN COc1ccc(/C=C/C(=O)N2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000006642416 569078303 /nfs/dbraw/zinc/07/83/03/569078303.db2.gz XAXWXKBSOOOXDQ-GERDGRBOSA-N 0 0 421.537 4.612 50 0 biogenic HJAARN O=C(COc1ccccc1)Nc1ccc2c(c1)Sc1ccccc1C(=O)N2C1CC1 ZINC000064666743 569078438 /nfs/dbraw/zinc/07/84/38/569078438.db2.gz ZHQJCKPJOJGFQW-UHFFFAOYSA-N 0 0 416.502 4.978 50 0 HJAARN O=C(Nc1nnc(C2CC2)s1)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000006647571 569079366 /nfs/dbraw/zinc/07/93/66/569079366.db2.gz SIALGBVBDWMNSV-UHFFFAOYSA-N 0 0 407.524 4.641 50 0 HJAARN O=C(C[C@H]1COc2cc(F)ccc2N1Cc1ccccc1)NCc1ccc(Cl)cc1 ZINC000064663453 569079565 /nfs/dbraw/zinc/07/95/65/569079565.db2.gz VANWPSMAPMEDDC-NRFANRHFSA-N 0 0 424.903 4.953 50 0 HJAARN CCN(C(=O)CCc1cc(OC)c(OC)c(OC)c1)c1nc2c(cccc2C)s1 ZINC000006649901 569080397 /nfs/dbraw/zinc/08/03/97/569080397.db2.gz JYOVPZFQXQXROT-UHFFFAOYSA-N 0 0 414.527 4.616 50 0 HJAARN CCCCNS(=O)(=O)c1ccc2c(c1)nc(Cc1cccs1)n2CCCC ZINC000006652252 569081672 /nfs/dbraw/zinc/08/16/72/569081672.db2.gz UJTSOLWXHTXDRM-UHFFFAOYSA-N 0 0 405.589 4.567 50 0 HJAARN CC(C)NC(=O)c1ccc(CSc2nc(N3CCCC3)cc(C(F)(F)F)n2)cc1 ZINC000036045141 569081952 /nfs/dbraw/zinc/08/19/52/569081952.db2.gz AGYPPWSLWVPLQW-UHFFFAOYSA-N 0 0 424.492 4.526 50 0 HJAARN Cc1cccc(-n2nnnc2SCc2ccc(C(=O)Nc3ccccc3)cc2)c1C ZINC000006651568 569082406 /nfs/dbraw/zinc/08/24/06/569082406.db2.gz VCRJQHIHCYTQMJ-UHFFFAOYSA-N 0 0 415.522 4.824 50 0 HJAARN Cc1cc(C)cc(-c2nnc(SCc3nc4c5ccccc5oc4c(=O)[nH]3)o2)c1 ZINC000006654228 569082770 /nfs/dbraw/zinc/08/27/70/569082770.db2.gz YVILVHUUPWMMHR-UHFFFAOYSA-N 0 0 404.451 4.628 50 0 HJAARN CCN(CC(=O)Nc1nc(-c2ccc(C)cc2)cn1-c1ccc(C)cc1)C(=O)C(C)C ZINC000036051303 569083719 /nfs/dbraw/zinc/08/37/19/569083719.db2.gz ZDWDTNZFBGMBII-UHFFFAOYSA-N 0 0 418.541 4.599 50 0 HJAARN CCN(CC)c1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c(C)c1 ZINC000064731399 569086530 /nfs/dbraw/zinc/08/65/30/569086530.db2.gz XLLCIILQEUOJBM-NRFANRHFSA-N 0 0 421.585 4.949 50 0 HJAARN CCNC(=O)c1coc(CN(Cc2ccccc2)Cc2ccccc2C(F)(F)F)n1 ZINC000036082923 569087310 /nfs/dbraw/zinc/08/73/10/569087310.db2.gz OWJHJBONBIYVSO-UHFFFAOYSA-N 0 0 417.431 4.646 50 0 HJAARN CC1CCN(c2ccc(-c3noc(C(=O)NCc4ccc(Cl)cc4)n3)cc2)CC1 ZINC000064746380 569088348 /nfs/dbraw/zinc/08/83/48/569088348.db2.gz VURUYIULZRLKEC-UHFFFAOYSA-N 0 0 410.905 4.556 50 0 HJAARN O=C(Cc1ccccc1F)N1CCC[C@@H]1c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000064747146 569088633 /nfs/dbraw/zinc/08/86/33/569088633.db2.gz ZYHIOIGDQTVDFE-QGZVFWFLSA-N 0 0 419.378 4.801 50 0 HJAARN CCCNC(=O)N(Cc1ccco1)Cc1nccn1Cc1ccc(C(F)(F)F)cc1 ZINC000006689738 569089414 /nfs/dbraw/zinc/08/94/14/569089414.db2.gz JACGRQPQXYOLDU-UHFFFAOYSA-N 0 0 420.435 4.665 50 0 HJAARN COc1c2cc(F)ccc2sc1C(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000064756469 569089875 /nfs/dbraw/zinc/08/98/75/569089875.db2.gz DYTDUHSZQXHDRW-UHFFFAOYSA-N 0 0 404.894 4.665 50 0 HJAARN CCCN(C)c1cc(C(C)(C)C)nc(SCc2cccc(C(=O)NCC)c2)n1 ZINC000006695852 569091659 /nfs/dbraw/zinc/09/16/59/569091659.db2.gz WDIMBTWCIZRVSQ-UHFFFAOYSA-N 0 0 400.592 4.662 50 0 HJAARN CCOC(=O)C1=C(COc2cccc(C)c2C)N(C)C(=O)N[C@H]1c1cc(C)ccc1C ZINC000006705180 569094875 /nfs/dbraw/zinc/09/48/75/569094875.db2.gz DVVRWGKWROLXAV-QHCPKHFHSA-N 0 0 422.525 4.513 50 0 HJAARN Cc1cccc(C(=O)N(Cc2cc(NC(=O)C3CCC3)ccc2N(C)C)CC2CC2)c1 ZINC000006707866 569095490 /nfs/dbraw/zinc/09/54/90/569095490.db2.gz GROFCVFHQRHAFX-UHFFFAOYSA-N 0 0 419.569 4.852 50 0 HJAARN CC(C)CN(Cc1cc(NC(=O)C(C)C)ccc1N(C)C)C(=O)c1cccs1 ZINC000006708107 569095498 /nfs/dbraw/zinc/09/54/98/569095498.db2.gz MBGHDLIKFFGZTK-UHFFFAOYSA-N 0 0 401.576 4.707 50 0 HJAARN CCCN(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C(=O)c1ccc(F)cc1 ZINC000006708929 569095589 /nfs/dbraw/zinc/09/55/89/569095589.db2.gz ACNYDRGYLWVFMI-UHFFFAOYSA-N 0 0 411.521 4.683 50 0 HJAARN Cc1c(C)c(C(=O)NCCc2ccccn2)n(Cc2cccc(C(F)(F)F)c2)c1C ZINC000006710236 569095669 /nfs/dbraw/zinc/09/56/69/569095669.db2.gz HLIYLYAPFVPTHC-UHFFFAOYSA-N 0 0 415.459 4.848 50 0 HJAARN Cc1cccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2ccc(C)c(C)c2)c1 ZINC000064799315 569096731 /nfs/dbraw/zinc/09/67/31/569096731.db2.gz WKXHUOXFKVXRFJ-SFHVURJKSA-N 0 0 411.548 4.980 50 0 HJAARN CCCN(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C(=O)c1cccc(F)c1 ZINC000006711614 569096812 /nfs/dbraw/zinc/09/68/12/569096812.db2.gz PRUWMSVRYFYKGP-UHFFFAOYSA-N 0 0 411.521 4.683 50 0 HJAARN CC[C@H](C)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C(=O)NC(C)(C)C ZINC000006712946 569096910 /nfs/dbraw/zinc/09/69/10/569096910.db2.gz BNQJDNUOHDCGPP-INIZCTEOSA-N 0 0 402.583 4.600 50 0 HJAARN COc1ccccc1C(=O)Nc1ccc(Nc2cc(C)nc(N3CCCCC3)n2)cc1 ZINC000064800928 569097527 /nfs/dbraw/zinc/09/75/27/569097527.db2.gz WYKNNAXLYIQVKL-UHFFFAOYSA-N 0 0 417.513 4.780 50 0 HJAARN O=C(Cn1c2ccccc2c(=O)n(C2CCCCC2)c1=O)c1ccc2ccccc2c1 ZINC000006719658 569097902 /nfs/dbraw/zinc/09/79/02/569097902.db2.gz GFSWGHIHVQBUOE-UHFFFAOYSA-N 0 0 412.489 4.705 50 0 HJAARN COc1ccc(N2C(=O)C[C@@]2(C(=O)Nc2c(C)cccc2C)c2ccccc2)cc1 ZINC000006719824 569097979 /nfs/dbraw/zinc/09/79/79/569097979.db2.gz RXRUEKGTMXUFRY-VWLOTQADSA-N 0 0 400.478 4.583 50 0 HJAARN CC1CCN(c2oc(-c3ccc(F)cc3)nc2S(=O)(=O)c2ccccc2)CC1 ZINC000006721144 569099042 /nfs/dbraw/zinc/09/90/42/569099042.db2.gz PBBJSNNIAFBZFO-UHFFFAOYSA-N 0 0 400.475 4.550 50 0 HJAARN CCNC(=O)Nc1ccc(N(C)C)c(CN(C(=O)C(C)C)[C@@H](C)c2ccccc2)c1 ZINC000006722311 569099510 /nfs/dbraw/zinc/09/95/10/569099510.db2.gz YNAIDJVWQTXZLP-SFHVURJKSA-N 0 0 410.562 4.640 50 0 HJAARN CC(=O)N(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)[C@@H](C)c1ccccc1 ZINC000006722303 569099522 /nfs/dbraw/zinc/09/95/22/569099522.db2.gz XUUYLJYANAKJHO-SFHVURJKSA-N 0 0 407.558 4.991 50 0 HJAARN CC[C@@H](C)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)C(=O)c1ccc(OC)cc1 ZINC000006722857 569099786 /nfs/dbraw/zinc/09/97/86/569099786.db2.gz OINSEPAPDQJJPD-QGZVFWFLSA-N 0 0 423.557 4.551 50 0 HJAARN CN(C)c1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000006724546 569100207 /nfs/dbraw/zinc/10/02/07/569100207.db2.gz KPVCIVDTZHHJCD-DEOSSOPVSA-N 0 0 417.534 4.784 50 0 HJAARN CCN1c2ccc(F)cc2[C@@]2(SC(C)(C)CN2C(=O)c2cccc(Cl)c2)C1=O ZINC000036152357 569100216 /nfs/dbraw/zinc/10/02/16/569100216.db2.gz HAXGHDRNDPASKV-OAQYLSRUSA-N 0 0 418.921 4.666 50 0 HJAARN CC(C)(C)NC(=O)N(Cc1ccco1)Cc1nccn1Cc1ccccc1Cl ZINC000006723599 569100390 /nfs/dbraw/zinc/10/03/90/569100390.db2.gz DMRLUYLTZJTGCA-UHFFFAOYSA-N 0 0 400.910 4.688 50 0 HJAARN Cc1ccccc1CN1c2ccccc2[C@]2(SC(C)(C)CN2C(=O)C(C)C)C1=O ZINC000036153043 569100467 /nfs/dbraw/zinc/10/04/67/569100467.db2.gz SBROFGUKWBJANS-DEOSSOPVSA-N 0 0 408.567 4.705 50 0 HJAARN CSc1nc2n(n1)[C@@H](c1ccccc1Cl)C(C(=O)Nc1ccccc1)=C(C)N2 ZINC000006728674 569102018 /nfs/dbraw/zinc/10/20/18/569102018.db2.gz VBBGKPWYKIZHRM-KRWDZBQOSA-N 0 0 411.918 4.581 50 0 HJAARN O=C(Cc1c(F)cccc1Cl)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000064818290 569102056 /nfs/dbraw/zinc/10/20/56/569102056.db2.gz AWAYBHOUIATOMI-UHFFFAOYSA-N 0 0 417.843 4.617 50 0 HJAARN COCCCN(Cc1c(-c2ccccc2)noc1N1CCC(C)CC1)C(=O)C(C)C ZINC000036161240 569102774 /nfs/dbraw/zinc/10/27/74/569102774.db2.gz KPZJMGJXMKKRNL-UHFFFAOYSA-N 0 0 413.562 4.599 50 0 HJAARN Cc1ccc2c(c1)[C@@]1(SCCN1C(=O)C1CCCC1)C(=O)N2Cc1cccc(F)c1 ZINC000036164997 569103193 /nfs/dbraw/zinc/10/31/93/569103193.db2.gz VUVVCWLEWOHXFZ-XMMPIXPASA-N 0 0 424.541 4.599 50 0 HJAARN COc1cccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccccc3)cc2)c1 ZINC000006734388 569104275 /nfs/dbraw/zinc/10/42/75/569104275.db2.gz CZZLAJMNLSSRBX-HSZRJFAPSA-N 0 0 404.491 4.726 50 0 HJAARN COc1ccc(CCNc2ncnc3c(-c4ccc(Cl)cc4)noc32)cc1OC ZINC000064835096 569105117 /nfs/dbraw/zinc/10/51/17/569105117.db2.gz OPKFFZUWYAJSHP-UHFFFAOYSA-N 0 0 410.861 4.610 50 0 HJAARN Cc1cccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)COc3ccccc3)c2)c1 ZINC000006740704 569106752 /nfs/dbraw/zinc/10/67/52/569106752.db2.gz VACWPVMZYZEACP-DEOSSOPVSA-N 0 0 418.518 4.791 50 0 HJAARN COc1ccc(CNC(=O)c2nc(SCc3ccc(C)cc3)ncc2Cl)cc1 ZINC000006748019 569108696 /nfs/dbraw/zinc/10/86/96/569108696.db2.gz BGTRZDMMTIBBPK-UHFFFAOYSA-N 0 0 413.930 4.669 50 0 HJAARN Cc1c(NC(=O)Nc2c(C)cccc2C)sc2nc3n(c(=O)c12)CC[C@@H](C)CC3 ZINC000006750149 569109155 /nfs/dbraw/zinc/10/91/55/569109155.db2.gz KOHNEQCOHNWHTA-LBPRGKRZSA-N 0 0 410.543 5.000 50 0 HJAARN CCc1ccc(C(=O)N2CCC3(CC2)Nc2cc(OC)ccc2-n2cccc23)cc1 ZINC000064858670 569109224 /nfs/dbraw/zinc/10/92/24/569109224.db2.gz BFGAPZLSENHEGM-UHFFFAOYSA-N 0 0 401.510 4.605 50 0 biogenic HJAARN COC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccccc2F)cc1 ZINC000006751073 569110121 /nfs/dbraw/zinc/11/01/21/569110121.db2.gz GMWBPRCKHNCXFG-UHFFFAOYSA-N 0 0 407.470 4.698 50 0 HJAARN CCCCNC(=O)[C@@H](CC)n1c2cnccc2nc1SCc1cccc(F)c1 ZINC000006752242 569110223 /nfs/dbraw/zinc/11/02/23/569110223.db2.gz ZVVQMOWBYHYZQZ-GOSISDBHSA-N 0 0 400.523 4.730 50 0 HJAARN O=C(C1CCC1)N(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000006753628 569110770 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Cc1cccc(OCc2nc(-c3ccc4c(c3)nc(C)c(=O)n4C3CCCC3)no2)c1 ZINC000064890525 569116386 /nfs/dbraw/zinc/11/63/86/569116386.db2.gz ULCTUVQNIKYHNG-UHFFFAOYSA-N 0 0 416.481 4.757 50 0 HJAARN COc1ccc(N(Cc2ccccc2C)S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000036246311 569116509 /nfs/dbraw/zinc/11/65/09/569116509.db2.gz JORKWFHSUBMJEN-UHFFFAOYSA-N 0 0 415.486 4.547 50 0 HJAARN COc1cc(OC)cc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036246441 569116675 /nfs/dbraw/zinc/11/66/75/569116675.db2.gz CSFZPXNOTBMMAA-UHFFFAOYSA-N 0 0 415.486 4.547 50 0 HJAARN COc1cccc(S(=O)(=O)N(Cc2ccc(F)cc2)c2cccc(Cl)c2)c1 ZINC000036248452 569117598 /nfs/dbraw/zinc/11/75/98/569117598.db2.gz WWLNQQNDUUITHI-UHFFFAOYSA-N 0 0 405.878 4.883 50 0 HJAARN COc1cccc(N(Cc2ccccc2OC)S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000036248527 569117699 /nfs/dbraw/zinc/11/76/99/569117699.db2.gz YRAXIQUIHINUKA-UHFFFAOYSA-N 0 0 415.486 4.547 50 0 HJAARN COc1ccccc1CN(c1ccc(C)c(F)c1)S(=O)(=O)c1cc(F)ccc1C ZINC000036248529 569117888 /nfs/dbraw/zinc/11/78/88/569117888.db2.gz QOHVADISQOFZMZ-UHFFFAOYSA-N 0 0 417.477 4.986 50 0 HJAARN CCCN(C)c1cc(CC)nc(SCc2cccc(C(=O)NCC(C)C)c2)n1 ZINC000006774555 569118449 /nfs/dbraw/zinc/11/84/49/569118449.db2.gz YWCYTELIZOMGJU-UHFFFAOYSA-N 0 0 400.592 4.563 50 0 HJAARN CCOc1nc(-c2ccc(F)cc2)n(-c2cccc(NC(=O)c3cccs3)c2)n1 ZINC000006776015 569118985 /nfs/dbraw/zinc/11/89/85/569118985.db2.gz CRMVUWZNSTWRLW-UHFFFAOYSA-N 0 0 408.458 4.786 50 0 HJAARN CC(C)COc1nc(-c2ccc(F)cc2)n(-c2ccc(NC(=O)C3CCC3)cc2)n1 ZINC000006776379 569119045 /nfs/dbraw/zinc/11/90/45/569119045.db2.gz QKCXPDRMVIGSOM-UHFFFAOYSA-N 0 0 408.477 4.847 50 0 HJAARN CCOc1nc(-c2cccc(F)c2)n(-c2cccc(NC(=O)c3cccs3)c2)n1 ZINC000006776214 569119053 /nfs/dbraw/zinc/11/90/53/569119053.db2.gz MTIXQHCMWLJEQD-UHFFFAOYSA-N 0 0 408.458 4.786 50 0 HJAARN COc1ccc(-n2nc(C(=O)NC3CCCCCCC3)cc2-c2cccnc2)cc1 ZINC000064919461 569120812 /nfs/dbraw/zinc/12/08/12/569120812.db2.gz UURRRCZNAYHJQV-UHFFFAOYSA-N 0 0 404.514 4.786 50 0 HJAARN C[C@H](CNC(=O)c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000064919409 569120914 /nfs/dbraw/zinc/12/09/14/569120914.db2.gz CKDNCFSQYJGSNA-QGZVFWFLSA-N 0 0 400.457 4.607 50 0 HJAARN CCc1ccc(NC(=O)[C@@H]2CCCN(c3ccnc(-c4ccc(C)cc4)n3)C2)cc1 ZINC000064928983 569123249 /nfs/dbraw/zinc/12/32/49/569123249.db2.gz TUQWAZYDHOVTSS-OAQYLSRUSA-N 0 0 400.526 4.870 50 0 HJAARN COc1ccc2c(C[NH2+]Cc3ccco3)c(C(=O)[O-])n(Cc3ccc(C)cc3)c2c1 ZINC000006794587 569125581 /nfs/dbraw/zinc/12/55/81/569125581.db2.gz YMGRKROWKIOFSF-UHFFFAOYSA-N 0 0 404.466 4.588 50 0 HJAARN COc1ccc2c(C[NH2+]Cc3ccco3)c(C(=O)[O-])n(Cc3ccccc3C)c2c1 ZINC000006794293 569125621 /nfs/dbraw/zinc/12/56/21/569125621.db2.gz HGWUKXXEMXDJPL-UHFFFAOYSA-N 0 0 404.466 4.588 50 0 HJAARN CC[C@H](C(=O)Nc1cccc(Cl)c1C)n1c2ccccc2c2nc(=O)cc(C)n21 ZINC000006795024 569125726 /nfs/dbraw/zinc/12/57/26/569125726.db2.gz QUTWUPSZOJBCCA-GOSISDBHSA-N 0 0 408.889 4.509 50 0 HJAARN CCCCCC(=O)Nc1ccc(N2CCCC[C@H]2C)c(S(=O)(=O)N[C@@H](C)CC)c1 ZINC000169677925 569126620 /nfs/dbraw/zinc/12/66/20/569126620.db2.gz RXPQGXDQSDQUFJ-ZWKOTPCHSA-N 0 0 423.623 4.661 50 0 HJAARN O=C(CSc1ccc(NCc2ccc(F)cc2)nn1)Nc1cccc(Cl)c1 ZINC000064944963 569128204 /nfs/dbraw/zinc/12/82/04/569128204.db2.gz SCDCZOXXPRCJBX-UHFFFAOYSA-N 0 0 402.882 4.612 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)CSc1ccc(NCc2ccc(F)cc2)nn1 ZINC000064944970 569128227 /nfs/dbraw/zinc/12/82/27/569128227.db2.gz CHIHECJBJHRJIE-UHFFFAOYSA-N 0 0 416.909 4.920 50 0 HJAARN COc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NC(=O)CC(C)C)cc2)n1 ZINC000006801532 569129151 /nfs/dbraw/zinc/12/91/51/569129151.db2.gz VTCJSEHAJDZVMJ-UHFFFAOYSA-N 0 0 418.419 4.946 50 0 HJAARN CCOc1ccc(-n2nc(-c3nc(-c4cccc(C)c4)no3)c3ccccc3c2=O)cc1 ZINC000064949795 569129676 /nfs/dbraw/zinc/12/96/76/569129676.db2.gz MULPZUNTAPUUCM-UHFFFAOYSA-N 0 0 424.460 4.810 50 0 HJAARN Cc1ccc(C)n1-c1nnc(N2CCC[C@@H](C(=O)Nc3ccc(C(C)C)cc3)C2)s1 ZINC000006806183 569130886 /nfs/dbraw/zinc/13/08/86/569130886.db2.gz NWEPHJIGYZJNMR-LJQANCHMSA-N 0 0 423.586 4.924 50 0 HJAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000006807729 569131967 /nfs/dbraw/zinc/13/19/67/569131967.db2.gz NSWLYRXWXNHFQY-LJQANCHMSA-N 0 0 414.509 4.621 50 0 HJAARN CC(C)(C)c1ccc(C2=NC(C)(C)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1 ZINC000006808701 569132889 /nfs/dbraw/zinc/13/28/89/569132889.db2.gz WBEBNRYEQBKONM-UHFFFAOYSA-N 0 0 411.933 4.644 50 0 HJAARN COc1cccc([C@@H](C)NC(=O)c2ccc3cnn(Cc4ccc(F)cc4)c3c2)c1 ZINC000064955858 569133727 /nfs/dbraw/zinc/13/37/27/569133727.db2.gz NVCMGLQAPCTPRL-MRXNPFEDSA-N 0 0 403.457 4.723 50 0 HJAARN CC(C)(C)c1ccc2oc(CN3CCN(C(=O)Nc4cccc(F)c4)CC3)nc2c1 ZINC000064957191 569134669 /nfs/dbraw/zinc/13/46/69/569134669.db2.gz NPUIRRBYTUNTEK-UHFFFAOYSA-N 0 0 410.493 4.614 50 0 HJAARN COc1cc(C(=O)N(Cc2ccco2)Cc2ccccc2Cl)cc(OC)c1OC ZINC000006810620 569135091 /nfs/dbraw/zinc/13/50/91/569135091.db2.gz VJRTWKCNFJUHFT-UHFFFAOYSA-N 0 0 415.873 4.801 50 0 HJAARN CC(C)(C)c1ccc(C(=O)n2nc(-c3cccnc3)nc2NCc2cccs2)cc1 ZINC000006811584 569136079 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Cc1ccc(C2=NN(C(=O)CN(C)Cc3ccccc3)[C@H](c3ccccc3F)C2)cc1 ZINC000036345436 569143186 /nfs/dbraw/zinc/14/31/86/569143186.db2.gz CCAPKJMAQNIRID-VWLOTQADSA-N 0 0 415.512 4.944 50 0 HJAARN CC[C@H](O)CN(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1 ZINC000036346149 569143544 /nfs/dbraw/zinc/14/35/44/569143544.db2.gz XYRKBAAGZYHGMB-QFIPXVFZSA-N 0 0 423.557 4.501 50 0 HJAARN COc1ccc([C@H]2c3cccn3CCCN2Cc2cccc(C)c2)c(OC)c1OC ZINC000036348552 569144519 /nfs/dbraw/zinc/14/45/19/569144519.db2.gz DCPPGEOULBBBDE-QHCPKHFHSA-N 0 0 406.526 4.818 50 0 HJAARN Cc1ccccc1C(=O)N1CCc2ccc(CNC(=O)c3cccc(Cl)c3)cc21 ZINC000064990009 569146196 /nfs/dbraw/zinc/14/61/96/569146196.db2.gz YVVJKMMRSOCKCQ-UHFFFAOYSA-N 0 0 404.897 4.781 50 0 HJAARN C[C@@H]1Cc2ccc(CNC(=O)Nc3cccc(F)c3)cc2N1C(=O)c1ccccc1 ZINC000064990677 569146532 /nfs/dbraw/zinc/14/65/32/569146532.db2.gz BJFDXVIYDAJIBG-MRXNPFEDSA-N 0 0 403.457 4.739 50 0 HJAARN Cc1cccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccccc4F)cc32)c1 ZINC000064990903 569146659 /nfs/dbraw/zinc/14/66/59/569146659.db2.gz SHDZJIALZFNQGC-UHFFFAOYSA-N 0 0 403.457 4.659 50 0 HJAARN O=C(Nc1cccc([C@H]2SCC(=O)N2c2cccc(F)c2)c1)c1ccccc1F ZINC000006838058 569149676 /nfs/dbraw/zinc/14/96/76/569149676.db2.gz VMDXMGXMMIMNCU-JOCHJYFZSA-N 0 0 410.445 4.996 50 0 HJAARN Cc1ccc(NC(=O)c2c3c(cn(-c4ccccc4)c2=O)C(=O)CC(C)(C)C3)cc1 ZINC000065000791 569151091 /nfs/dbraw/zinc/15/10/91/569151091.db2.gz HZSFDAMTFYQVNG-UHFFFAOYSA-N 0 0 400.478 4.553 50 0 HJAARN CC(C)n1ncc2c1nc1c(c2C(=O)Nc2ccc(Br)cc2F)CCC1 ZINC000036364953 569152006 /nfs/dbraw/zinc/15/20/06/569152006.db2.gz PDYTZRSHICWYQH-UHFFFAOYSA-N 0 0 417.282 4.655 50 0 HJAARN C[C@H](CNS(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)s1)c1ccccc1 ZINC000065004448 569152455 /nfs/dbraw/zinc/15/24/55/569152455.db2.gz NEMDMWUBJQLMPD-CQSZACIVSA-N 0 0 402.541 4.753 50 0 HJAARN Cc1cccc(-c2cc(N3CCN(C(=O)Nc4ccc(C)c(Cl)c4)CC3)ncn2)c1 ZINC000065007643 569153118 /nfs/dbraw/zinc/15/31/18/569153118.db2.gz VYJYFWKAPAZTFL-UHFFFAOYSA-N 0 0 421.932 4.768 50 0 HJAARN CCOc1ccccc1NC(=O)[C@@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1 ZINC000065023128 569154741 /nfs/dbraw/zinc/15/47/41/569154741.db2.gz XEVBECCMHXFTLL-GOSISDBHSA-N 0 0 420.488 4.537 50 0 HJAARN Cc1cc(C)cc(NC(=O)[C@H]2CCCN(c3ncc(-c4cccc(F)c4)cn3)C2)c1 ZINC000065023464 569154935 /nfs/dbraw/zinc/15/49/35/569154935.db2.gz YYIUFPUZVXQXFX-IBGZPJMESA-N 0 0 404.489 4.755 50 0 HJAARN COc1ccccc1CNC(=O)C1(c2ccc(NC(=O)C3CC3)cc2)CCCCC1 ZINC000065027468 569155783 /nfs/dbraw/zinc/15/57/83/569155783.db2.gz YTBLMADURJIFAX-UHFFFAOYSA-N 0 0 406.526 4.562 50 0 HJAARN CCC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4ccc(F)cc4)cc3)ccc21 ZINC000065026859 569155818 /nfs/dbraw/zinc/15/58/18/569155818.db2.gz CVXWPPMQMAALKP-UHFFFAOYSA-N 0 0 402.469 4.722 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)c1ccc(-c2cnc(N3CCCC3)nc2)cc1 ZINC000065025477 569156371 /nfs/dbraw/zinc/15/63/71/569156371.db2.gz HREBEBIMTKBDBK-UHFFFAOYSA-N 0 0 408.889 4.658 50 0 HJAARN O=C(Nc1ccc(F)c(Cl)c1)Nc1cc(F)c2nc(N3CCOCC3)ccc2c1 ZINC000065029802 569156632 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ZINC000007268138 569231108 /nfs/dbraw/zinc/23/11/08/569231108.db2.gz ZQKWMFDEBYAEGH-LJQANCHMSA-N 0 0 415.537 4.814 50 0 HJAARN Cc1nc2ccc(C(=O)Nc3ccc(-c4noc(C(C)(C)C)n4)cc3)cc2nc1C ZINC000065488094 569231785 /nfs/dbraw/zinc/23/17/85/569231785.db2.gz BZQGZHHBXZCYHA-UHFFFAOYSA-N 0 0 401.470 4.846 50 0 HJAARN COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cc1F ZINC000065493134 569232350 /nfs/dbraw/zinc/23/23/50/569232350.db2.gz GKPOYANOBQFJBF-DEOSSOPVSA-N 0 0 421.468 4.639 50 0 HJAARN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000065577667 569236102 /nfs/dbraw/zinc/23/61/02/569236102.db2.gz CKWWEJRFTSVYBW-HXUWFJFHSA-N 0 0 411.505 4.666 50 0 HJAARN COc1ccc(-c2nc(CCNC(=O)Nc3ccccc3N3CCCCC3)co2)cc1 ZINC000065605284 569237235 /nfs/dbraw/zinc/23/72/35/569237235.db2.gz RFEUOALIEXLETL-UHFFFAOYSA-N 0 0 420.513 4.705 50 0 HJAARN Cc1c2nc(N(CCCn3ccnc3)C(=O)c3ccco3)sc2ccc1Cl ZINC000007424812 569237936 /nfs/dbraw/zinc/23/79/36/569237936.db2.gz CIFDORXCDWIHFW-UHFFFAOYSA-N 0 0 400.891 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CC(=O)Nc1sc(NC(=O)COc2ccc(Cl)cc2)nc1-c1cccs1 ZINC000071195067 569251283 /nfs/dbraw/zinc/25/12/83/569251283.db2.gz KGZNMRSNHFPIIR-UHFFFAOYSA-N 0 0 407.904 4.501 50 0 HJAARN COc1cccc(C(=O)N2c3ncnn3[C@H](c3ccccc3)C[C@@H]2c2ccc(C)cc2)c1 ZINC000010059794 569253015 /nfs/dbraw/zinc/25/30/15/569253015.db2.gz TZTTUFFGQPGCOK-RPWUZVMVSA-N 0 0 424.504 4.976 50 0 HJAARN COc1ccc([C@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)c2ccccc2C)cc1 ZINC000010060283 569253104 /nfs/dbraw/zinc/25/31/04/569253104.db2.gz NJIPMGIWEREARI-RPWUZVMVSA-N 0 0 424.504 4.976 50 0 HJAARN COc1ccc([C@@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)c2cccc(C)c2)cc1 ZINC000010060298 569253126 /nfs/dbraw/zinc/25/31/26/569253126.db2.gz CKBIRYADFKQQJG-BJKOFHAPSA-N 0 0 424.504 4.976 50 0 HJAARN Cc1ccc(S(=O)(=O)CCCC(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000010218579 569253723 /nfs/dbraw/zinc/25/37/23/569253723.db2.gz MYTCQOPZGMDJIY-UHFFFAOYSA-N 0 0 409.507 4.980 50 0 HJAARN O=C(c1cc(=O)c2ccccc2o1)N(C(=O)N1CCCCC1)c1cccc(Cl)c1 ZINC000010254620 569254284 /nfs/dbraw/zinc/25/42/84/569254284.db2.gz HGOSNEYSFYGXJW-UHFFFAOYSA-N 0 0 410.857 4.699 50 0 HJAARN Cc1cc(NC(=O)[C@H](Sc2ncnc3[nH]cnc32)c2ccccc2)ccc1Cl ZINC000013572688 569256048 /nfs/dbraw/zinc/25/60/48/569256048.db2.gz GOCJRWGLJFKZRB-QGZVFWFLSA-N 0 0 409.902 4.787 50 0 HJAARN CCCCC(=O)Nc1ccccc1S[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000013579075 569256337 /nfs/dbraw/zinc/25/63/37/569256337.db2.gz WOAAXINLFUWVQM-HNNXBMFYSA-N 0 0 414.527 4.706 50 0 HJAARN O=C(Cc1ccc2ccccc2c1)Nc1nnc(-c2ccc(Br)s2)o1 ZINC000013667300 569256930 /nfs/dbraw/zinc/25/69/30/569256930.db2.gz OZFNPQFJBOUDKW-UHFFFAOYSA-N 0 0 414.284 4.895 50 0 HJAARN CC(=O)N[C@H](CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccs1 ZINC000014048100 569258531 /nfs/dbraw/zinc/25/85/31/569258531.db2.gz OZSBKJHCURDKQR-CQSZACIVSA-N 0 0 405.932 4.731 50 0 HJAARN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2cc(C(C)(C)C)ccc2O)c1 ZINC000014184105 569258847 /nfs/dbraw/zinc/25/88/47/569258847.db2.gz YCDFGSLTZPIDCJ-UHFFFAOYSA-N 0 0 410.543 4.948 50 0 HJAARN COc1ccc(NC(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)cn1 ZINC000014268850 569259347 /nfs/dbraw/zinc/25/93/47/569259347.db2.gz LRTKKQWVNQFFDC-UHFFFAOYSA-N 0 0 401.470 4.644 50 0 HJAARN COc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3Cl)n2)c1 ZINC000014609578 569260594 /nfs/dbraw/zinc/26/05/94/569260594.db2.gz DSRDPYRWKHKBKO-UHFFFAOYSA-N 0 0 404.857 4.849 50 0 HJAARN O=C(Nc1ccc(Br)cc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000014609392 569260617 /nfs/dbraw/zinc/26/06/17/569260617.db2.gz CDCVJJWTPVHOGO-UHFFFAOYSA-N 0 0 419.282 4.949 50 0 HJAARN COc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)cc3)n2)c(OC)c1 ZINC000014609525 569260642 /nfs/dbraw/zinc/26/06/42/569260642.db2.gz NPPBLZACYWCEOC-UHFFFAOYSA-N 0 0 414.465 4.512 50 0 HJAARN COc1cccc([C@H]2CC(c3ccc(C)cc3)=NN2S(=O)(=O)c2ccccc2)c1 ZINC000089632097 569261517 /nfs/dbraw/zinc/26/15/17/569261517.db2.gz BFKGQDVDVDXSKZ-HSZRJFAPSA-N 0 0 406.507 4.544 50 0 HJAARN Cc1cccc([C@H]2CC(c3ccco3)=NN2S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000089669378 569262239 /nfs/dbraw/zinc/26/22/39/569262239.db2.gz SOLNBPPFQLZWNW-LJQANCHMSA-N 0 0 400.887 4.781 50 0 HJAARN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)Nc1ccccc1C(F)(F)F ZINC000089662597 569262247 /nfs/dbraw/zinc/26/22/47/569262247.db2.gz NHYAWKMYZAUJAK-ZDUSSCGKSA-N 0 0 401.429 4.617 50 0 HJAARN COc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccco4)=NN32)cc1OC ZINC000016758723 569262574 /nfs/dbraw/zinc/26/25/74/569262574.db2.gz HYBHKARLEJHYQE-GAJHUEQPSA-N 0 0 406.438 4.548 50 0 HJAARN O=c1c2sccc2nc(SCc2nc(-c3ccccc3)no2)n1-c1ccccc1 ZINC000016842928 569264734 /nfs/dbraw/zinc/26/47/34/569264734.db2.gz UQDWTQPLQCGHRL-UHFFFAOYSA-N 0 0 418.503 4.790 50 0 HJAARN CCc1nc2c(sc3cccc(F)c32)c(=O)n1CC(=O)Nc1ccc(C)cc1C ZINC000016843828 569264903 /nfs/dbraw/zinc/26/49/03/569264903.db2.gz LTRKEHYBFBVLPI-UHFFFAOYSA-N 0 0 409.486 4.568 50 0 HJAARN COc1ccc(-c2cn3c(CCC(=O)Nc4ccc(F)c(F)c4)csc3n2)cc1 ZINC000016848821 569265528 /nfs/dbraw/zinc/26/55/28/569265528.db2.gz PCIYYJFKEZFOSW-UHFFFAOYSA-N 0 0 413.449 4.921 50 0 HJAARN O=C(Nc1ccccc1N1CCCC1)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000089814110 569266374 /nfs/dbraw/zinc/26/63/74/569266374.db2.gz UKZVOTRNHCDCBO-LJQANCHMSA-N 0 0 404.297 4.725 50 0 HJAARN COc1ccc2cc(C(=O)Nc3ccccc3C(=O)N3C[C@@H](C)C[C@H](C)C3)[nH]c2c1 ZINC000089920254 569268743 /nfs/dbraw/zinc/26/87/43/569268743.db2.gz RENCQXYIAVSQRO-HOTGVXAUSA-N 0 0 405.498 4.547 50 0 HJAARN CCC(CC)c1cc(C(=O)NC2(c3noc([C@@H]4CCCO4)n3)CCCCCC2)on1 ZINC000089943186 569269355 /nfs/dbraw/zinc/26/93/55/569269355.db2.gz WWAMBLXBUUAELL-KRWDZBQOSA-N 0 0 416.522 4.792 50 0 HJAARN CCCc1nnc(CN(CCC)CC(=O)Nc2ccc(Cl)cc2Cl)s1 ZINC000089960559 569270090 /nfs/dbraw/zinc/27/00/90/569270090.db2.gz BQDCYTZZRTWBAU-UHFFFAOYSA-N 0 0 401.363 4.648 50 0 HJAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1 ZINC000017026568 569272026 /nfs/dbraw/zinc/27/20/26/569272026.db2.gz NUCMGJNVVKVTRO-UHFFFAOYSA-N 0 0 420.534 4.697 50 0 HJAARN C[C@H]1CN(c2cc(Oc3ccc(Cl)cc3)ncn2)CCN1C(=O)C1CCCCC1 ZINC000037355956 569272134 /nfs/dbraw/zinc/27/21/34/569272134.db2.gz PJXCRPANJVRWLI-INIZCTEOSA-N 0 0 414.937 4.540 50 0 HJAARN Cc1ccc(C(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000017040944 569272238 /nfs/dbraw/zinc/27/22/38/569272238.db2.gz PIFPVEQQWWLEGM-IBGZPJMESA-N 0 0 419.955 4.655 50 0 HJAARN CCCCCC(=O)N1CCN(c2cc(Oc3ccc(Cl)c(C)c3)ncn2)C[C@@H]1C ZINC000037356127 569272544 /nfs/dbraw/zinc/27/25/44/569272544.db2.gz XZGZUDBDGKPPHX-KRWDZBQOSA-N 0 0 416.953 4.848 50 0 HJAARN Cc1cccc(C(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000017122631 569275183 /nfs/dbraw/zinc/27/51/83/569275183.db2.gz AVDBOOHNZZFCMH-LJQANCHMSA-N 0 0 419.955 4.655 50 0 HJAARN Cc1cnc(NC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)s1 ZINC000170634145 569275436 /nfs/dbraw/zinc/27/54/36/569275436.db2.gz XSFMOWKKNZPNEO-UHFFFAOYSA-N 0 0 414.327 4.586 50 0 HJAARN CC[C@@H](Sc1nnc2c3ccccc3n(CC)c2n1)C(=O)Nc1ccccc1OC ZINC000000796587 569276784 /nfs/dbraw/zinc/27/67/84/569276784.db2.gz PEVRGVRHMMZNGI-GOSISDBHSA-N 0 0 421.526 4.517 50 0 HJAARN Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3nc(-c4ccccc4)cs3)ccc12 ZINC000000935662 569276882 /nfs/dbraw/zinc/27/68/82/569276882.db2.gz USBFTXXQDRRRRX-AWEZNQCLSA-N 0 0 406.463 4.631 50 0 HJAARN Cc1ccc(C(=O)Nc2nc3n(n2)[C@H](c2ccccc2)C[C@H](c2ccccc2)N3)cc1 ZINC000001078007 569277234 /nfs/dbraw/zinc/27/72/34/569277234.db2.gz MVZSXGUZYVRFII-YADHBBJMSA-N 0 0 409.493 4.985 50 0 HJAARN Cc1cc2c(nc(SCC(=O)c3cc(Cl)sc3Cl)n(C)c2=O)s1 ZINC000001062554 569277252 /nfs/dbraw/zinc/27/72/52/569277252.db2.gz PPHUVBHIIWLSEL-UHFFFAOYSA-N 0 0 405.353 4.647 50 0 HJAARN Cc1nc(C2(NC(=O)c3ccc(Oc4cccc(Cl)c4Cl)nc3)CCC2)no1 ZINC000170638559 569280283 /nfs/dbraw/zinc/28/02/83/569280283.db2.gz YLPXORCDDJRRHQ-UHFFFAOYSA-N 0 0 419.268 4.681 50 0 HJAARN Cc1c(OCC(=O)c2ccc3c(c2)OCO3)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000002109457 569283796 /nfs/dbraw/zinc/28/37/96/569283796.db2.gz YHPMBWOYLJCYEW-UHFFFAOYSA-N 0 0 414.413 4.759 50 0 biogenic HJAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(c3ccccc3F)CO2)cc1 ZINC000002118948 569284814 /nfs/dbraw/zinc/28/48/14/569284814.db2.gz MMHAAKMWMYMFLO-UHFFFAOYSA-N 0 0 403.409 4.964 50 0 biogenic HJAARN CCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2cnc(-c3ccc(OC)cc3)cc12 ZINC000000637443 569287586 /nfs/dbraw/zinc/28/75/86/569287586.db2.gz HDSDVUUXKIPILN-UHFFFAOYSA-N 0 0 418.424 4.557 50 0 HJAARN O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)[C@H]1COc2ccccc2O1 ZINC000007596292 569287722 /nfs/dbraw/zinc/28/77/22/569287722.db2.gz NXPMWAARBGRMBN-HXUWFJFHSA-N 0 0 402.475 4.666 50 0 HJAARN O=C(Nc1ccc2c(c1)OCO2)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000007598071 569288094 /nfs/dbraw/zinc/28/80/94/569288094.db2.gz RUGFSELCCHDIFL-UHFFFAOYSA-N 0 0 401.397 4.659 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cc1 ZINC000007598270 569288136 /nfs/dbraw/zinc/28/81/36/569288136.db2.gz FRTADXOBBIAGLX-UHFFFAOYSA-N 0 0 412.445 4.979 50 0 HJAARN CCc1cc(=O)oc2cc(C)cc(OC(=O)CCCCCNC(=O)OC(C)(C)C)c12 ZINC000002150513 569290065 /nfs/dbraw/zinc/29/00/65/569290065.db2.gz CPSWKUPNVVILCS-UHFFFAOYSA-N 0 0 417.502 4.654 50 0 biogenic HJAARN CC(C)C[C@@H](NC(=O)CC1(n2cccc2)CCSCC1)c1nc2ccccc2n1C ZINC000252492078 569290492 /nfs/dbraw/zinc/29/04/92/569290492.db2.gz MBVWILJDPSHUSS-HXUWFJFHSA-N 0 0 424.614 4.891 50 0 HJAARN Cc1nn(C)c(C)c1CN(C(=O)c1cc(-c2ccc(C)cc2)on1)c1ccccc1 ZINC000252499903 569290970 /nfs/dbraw/zinc/29/09/70/569290970.db2.gz SIKQQYCPPVXCLA-UHFFFAOYSA-N 0 0 400.482 4.847 50 0 HJAARN CC(C)[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CO2)c1nc2ccccc2n1C(C)C ZINC000252506655 569291324 /nfs/dbraw/zinc/29/13/24/569291324.db2.gz WCBRRZJUALNBOM-OAQYLSRUSA-N 0 0 406.486 4.725 50 0 HJAARN CCOc1nc(-c2ccc(F)cc2)n(-c2cccc(NC(=O)c3ccccc3F)c2)n1 ZINC000037385570 569295317 /nfs/dbraw/zinc/29/53/17/569295317.db2.gz ROBBQBPBGRXRLY-UHFFFAOYSA-N 0 0 420.419 4.864 50 0 HJAARN CCn1c(SCC(=O)c2cc(C)n(CCc3cccs3)c2C)nnc1C1CC1 ZINC000007618619 569296147 /nfs/dbraw/zinc/29/61/47/569296147.db2.gz CLHFUGSPZYPNJI-UHFFFAOYSA-N 0 0 414.600 4.873 50 0 HJAARN COc1ccc(NC(=O)CCn2c(Cc3ccc(F)cc3)nc3ccccc32)cc1 ZINC000037397121 569296448 /nfs/dbraw/zinc/29/64/48/569296448.db2.gz VSGJMAXUMAABOA-UHFFFAOYSA-N 0 0 403.457 4.804 50 0 HJAARN C[C@@H](Sc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1)C(=O)NC1CC1 ZINC000007654394 569299102 /nfs/dbraw/zinc/29/91/02/569299102.db2.gz WUDXXOTXPAMWRK-CYBMUJFWSA-N 0 0 412.540 4.833 50 0 HJAARN O=C(c1cccc(F)c1)N(Cc1cccc(F)c1)C[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000037441120 569299589 /nfs/dbraw/zinc/29/95/89/569299589.db2.gz BPURZERXRJUKGB-JOCHJYFZSA-N 0 0 424.422 4.940 50 0 HJAARN CCNC(=O)N(Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037442297 569299709 /nfs/dbraw/zinc/29/97/09/569299709.db2.gz GUYRUWDVZXKAFK-SFHVURJKSA-N 0 0 423.410 4.569 50 0 HJAARN CC(=O)c1sc(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)nc1C ZINC000007717480 569301916 /nfs/dbraw/zinc/30/19/16/569301916.db2.gz RRIZWGHJHRGDJR-UHFFFAOYSA-N 0 0 408.508 4.821 50 0 HJAARN Cc1c(Cl)cccc1N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@@H](C)C1=O ZINC000037520012 569302845 /nfs/dbraw/zinc/30/28/45/569302845.db2.gz JPTUYFODQLQPHU-LBPRGKRZSA-N 0 0 411.716 4.833 50 0 HJAARN Cc1ccc(NC(=O)CN(Cc2ccco2)Cc2ccco2)cc1Br ZINC000007726639 569303336 /nfs/dbraw/zinc/30/33/36/569303336.db2.gz STCMYININGCYKA-UHFFFAOYSA-N 0 0 403.276 4.584 50 0 HJAARN Cc1noc(C)c1COc1ccc(C(=O)OCCOc2cccc(Cl)c2)cc1 ZINC000007735273 569304625 /nfs/dbraw/zinc/30/46/25/569304625.db2.gz UBVQCQAZMXIURP-UHFFFAOYSA-N 0 0 401.846 4.760 50 0 HJAARN CCOC(=O)c1oc2ccccc2c1COC(=O)c1ccc(OCC)c(OCC)c1 ZINC000007737423 569304872 /nfs/dbraw/zinc/30/48/72/569304872.db2.gz WCDDELXVGWMRTE-UHFFFAOYSA-N 0 0 412.438 4.764 50 0 HJAARN O=C(NC1CC1)c1cc2scc(Br)c2n1Cc1ccc(F)c(F)c1 ZINC000037543301 569305295 /nfs/dbraw/zinc/30/52/95/569305295.db2.gz WPNBEQIQRHCXBA-UHFFFAOYSA-N 0 0 411.271 4.684 50 0 HJAARN O=C(Nc1cccc(N2CCCN(Cc3cc(F)ccc3F)C2=O)c1)C1CCCC1 ZINC000037544014 569305389 /nfs/dbraw/zinc/30/53/89/569305389.db2.gz SYZBKXWBHYLGBW-UHFFFAOYSA-N 0 0 413.468 4.926 50 0 HJAARN Cc1cccc([C@@H]2CC[C@H](C(=O)NCc3ccco3)CN2C(=O)c2ccc(F)cc2)c1 ZINC000037545824 569305493 /nfs/dbraw/zinc/30/54/93/569305493.db2.gz CLQNVMBBHTUQRE-REWPJTCUSA-N 0 0 420.484 4.637 50 0 HJAARN CC[C@H](C)NC(=O)[C@@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2ccc(F)cc2F)C1 ZINC000037546129 569305796 /nfs/dbraw/zinc/30/57/96/569305796.db2.gz MUXYLTCZWTUWAJ-LUQKVYGDSA-N 0 0 415.484 4.865 50 0 HJAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CCC(=O)NCc1ccco1 ZINC000037547373 569305801 /nfs/dbraw/zinc/30/58/01/569305801.db2.gz COBJVPBTDCDEPP-UHFFFAOYSA-N 0 0 419.456 4.954 50 0 HJAARN CCNC(=O)Cc1ccc(N(Cc2ccccc2OC)C(=O)c2ccc(C)cc2)cc1 ZINC000037555273 569306207 /nfs/dbraw/zinc/30/62/07/569306207.db2.gz AXNVVEMQKCXRBV-UHFFFAOYSA-N 0 0 416.521 4.529 50 0 HJAARN Cc1ccccc1CN(C(=O)c1cccs1)c1ccc(CC(=O)NC(C)C)cc1 ZINC000037556222 569306385 /nfs/dbraw/zinc/30/63/85/569306385.db2.gz JMVAZVCDCAROAL-UHFFFAOYSA-N 0 0 406.551 4.971 50 0 HJAARN Cc1ccc(Nc2nnc(SCC(=O)Nc3ccnn3C3CCCC3)s2)cc1 ZINC000007758399 569307206 /nfs/dbraw/zinc/30/72/06/569307206.db2.gz VRDDJGZXIXSAPX-UHFFFAOYSA-N 0 0 414.560 4.633 50 0 HJAARN Nc1c(C(=O)NCCCc2ccccc2)c2nc3ccccc3nc2n1-c1ccccc1 ZINC000002211467 569307533 /nfs/dbraw/zinc/30/75/33/569307533.db2.gz FYKKMQGKXVDSDN-UHFFFAOYSA-N 0 0 421.504 4.519 50 0 HJAARN COc1ccc(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1Cl ZINC000007763794 569307844 /nfs/dbraw/zinc/30/78/44/569307844.db2.gz OCZBIFMDNCCAKC-UHFFFAOYSA-N 0 0 405.932 4.979 50 0 HJAARN CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)Cc3ccc(F)cc3)n2)cc1 ZINC000007780012 569309405 /nfs/dbraw/zinc/30/94/05/569309405.db2.gz IXWUWBASQCFFGV-AWEZNQCLSA-N 0 0 412.486 4.625 50 0 HJAARN CCC(=O)N1CCc2ccc(O[C@@H](CC)C(=O)NC(C)C)cc2[C@@H]1c1ccc(C)cc1 ZINC000037603469 569309524 /nfs/dbraw/zinc/30/95/24/569309524.db2.gz DFMFHARUXOEGPB-ZCYQVOJMSA-N 0 0 422.569 4.561 50 0 HJAARN CC(C)CNC(=O)COC(=O)c1oc2ccccc2c1CSC1CCCCC1 ZINC000007780471 569309675 /nfs/dbraw/zinc/30/96/75/569309675.db2.gz LFHUMULTRWLNLB-UHFFFAOYSA-N 0 0 403.544 4.928 50 0 HJAARN COc1cc(-c2nc(-c3ccc(Cl)cc3Cl)cc(=O)o2)cc(OC)c1OC ZINC000002216991 569311444 /nfs/dbraw/zinc/31/14/44/569311444.db2.gz KPKAJMZQORITPW-UHFFFAOYSA-N 0 0 408.237 4.701 50 0 HJAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)COc1ccc(Cl)cc1Cl ZINC000007823606 569313210 /nfs/dbraw/zinc/31/32/10/569313210.db2.gz QFQNXEDWLDZTIL-UHFFFAOYSA-N 0 0 418.324 4.550 50 0 HJAARN CC(C)[C@@H](NC(=O)CSc1nc2ccccc2o1)c1ccc2c(c1)OCCCO2 ZINC000007883876 569315165 /nfs/dbraw/zinc/31/51/65/569315165.db2.gz URPQKUDDVZEVAE-OAQYLSRUSA-N 0 0 412.511 4.595 50 0 HJAARN CCCCc1nc2sc3c(ncnc3SCC(=O)OCC)c2c2c1CCC2 ZINC000002227322 569317170 /nfs/dbraw/zinc/31/71/70/569317170.db2.gz GPSNFFAGCFMPCS-UHFFFAOYSA-N 0 0 401.557 4.726 50 0 HJAARN Cc1nn(C)c(C)c1/C=C1\C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@H]1O ZINC000253370504 569317561 /nfs/dbraw/zinc/31/75/61/569317561.db2.gz RPEZSVJLASPKQK-ZYUKKKNGSA-N 0 0 410.602 4.715 50 0 HJAARN Cc1cc2nc3sc(=Cc4ccc(-c5cccc(Cl)c5)o4)c(=O)n3c2cc1C ZINC000252670069 569319262 /nfs/dbraw/zinc/31/92/62/569319262.db2.gz JMNHPHREQOKHAF-UHFFFAOYSA-N 0 0 406.894 4.987 50 0 HJAARN C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000007903750 569320546 /nfs/dbraw/zinc/32/05/46/569320546.db2.gz WVKCVRNMXDVJEK-INIZCTEOSA-N 0 0 418.566 4.877 50 0 HJAARN O=C(c1cccc(Cl)c1)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccc(F)cc1 ZINC000002724737 569322432 /nfs/dbraw/zinc/32/24/32/569322432.db2.gz IFRRIIIMABOPCS-OAQYLSRUSA-N 0 0 412.823 4.802 50 0 HJAARN COc1cc(C(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)cc(OC)c1OC ZINC000002961255 569322643 /nfs/dbraw/zinc/32/26/43/569322643.db2.gz GVLLVKPGVXPYQS-UHFFFAOYSA-N 0 0 421.478 4.636 50 0 HJAARN O=c1c2c3c(sc2n(Cc2ccccc2)c(=O)n1-c1cccc(Cl)c1)CCCC3 ZINC000002240314 569323488 /nfs/dbraw/zinc/32/34/88/569323488.db2.gz HYFGTWFUIDPPLD-UHFFFAOYSA-N 0 0 422.937 4.794 50 0 HJAARN Cc1c(-c2nc(-c3ccccc3C)no2)nnn1-c1ccc(Br)cc1F ZINC000009300412 569324806 /nfs/dbraw/zinc/32/48/06/569324806.db2.gz MNUWMGCSEKYOLG-UHFFFAOYSA-N 0 0 414.238 4.503 50 0 HJAARN CCOC(=O)CCc1c(C)c2cc(Cl)c(OCc3ccc(F)cc3)cc2oc1=O ZINC000002265578 569325631 /nfs/dbraw/zinc/32/56/31/569325631.db2.gz OSVVIJPQYYUNAQ-UHFFFAOYSA-N 0 0 418.848 4.969 50 0 HJAARN Cc1nn(C)c(C)c1/C=C1\C[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O ZINC000038204646 569358098 /nfs/dbraw/zinc/35/80/98/569358098.db2.gz LLACSJNGOUDMMQ-MVCXGTFTSA-N 0 0 408.586 4.923 50 0 HJAARN CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000044963047 569358270 /nfs/dbraw/zinc/35/82/70/569358270.db2.gz UWFYSQMTEOIJJG-BWOCUVQDSA-N 0 0 416.945 4.608 50 0 HJAARN CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CC=C4CC5(CC[C@]4(C)[C@@H]3CC[C@]21C)OCCO5 ZINC000071770528 569359032 /nfs/dbraw/zinc/35/90/32/569359032.db2.gz BSQMPBUBHHDZDS-SYQKRSDNSA-N 0 0 416.558 4.583 50 0 HJAARN CSCC[C@H](NC(=O)c1cccc(Br)c1)c1nc2ccccc2[nH]1 ZINC000002284756 569364497 /nfs/dbraw/zinc/36/44/97/569364497.db2.gz GIVPCDKKKUQUBK-INIZCTEOSA-N 0 0 404.333 4.550 50 0 HJAARN Cc1nc(-c2cccc(NC(=O)c3cnc(O[C@@H]4CCOC4)c(Cl)c3)c2)cs1 ZINC000253407467 569366114 /nfs/dbraw/zinc/36/61/14/569366114.db2.gz WLRXLJPEBFPBGM-MRXNPFEDSA-N 0 0 415.902 4.587 50 0 HJAARN Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc(Br)cc3)NC(=O)CCN21 ZINC000002295406 569369354 /nfs/dbraw/zinc/36/93/54/569369354.db2.gz RFMQXAFEULLZCF-YUAYGMJFSA-N 0 0 411.343 4.785 50 0 HJAARN CCCCSc1nc2nc3c(cc2c(=O)n1-c1ccc(C)cc1)COC(C)(C)C3 ZINC000002313095 569374005 /nfs/dbraw/zinc/37/40/05/569374005.db2.gz YFYUSNSILSQTFM-UHFFFAOYSA-N 0 0 409.555 4.833 50 0 HJAARN COCCOC(=O)c1c(C)oc2cc(Br)c(OCc3ccccc3)cc21 ZINC000002328140 569375545 /nfs/dbraw/zinc/37/55/45/569375545.db2.gz RGXNEZBXDJPUML-UHFFFAOYSA-N 0 0 419.271 4.886 50 0 HJAARN COc1cc2c(cc1OC)-c1cc(Oc3ccc(Cl)cc3Cl)nc(=O)n1CC2 ZINC000002328799 569375625 /nfs/dbraw/zinc/37/56/25/569375625.db2.gz WAYGTLUGNABCDB-UHFFFAOYSA-N 0 0 419.264 4.583 50 0 HJAARN Cc1cc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c2c3c(c(=O)oc2c1)CCC3 ZINC000002337329 569376113 /nfs/dbraw/zinc/37/61/13/569376113.db2.gz HYOWSAVKGPPGHV-UHFFFAOYSA-N 0 0 417.383 4.626 50 0 HJAARN Cn1ccnc1SC[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253499726 569382136 /nfs/dbraw/zinc/38/21/36/569382136.db2.gz UWCHXMLXDXSLPL-HUKRRQNXSA-N 0 0 418.647 4.647 50 0 HJAARN COc1cccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCC4)c1 ZINC000002369173 569388463 /nfs/dbraw/zinc/38/84/63/569388463.db2.gz NGKQBFULFHLNCZ-UHFFFAOYSA-N 0 0 405.479 4.888 50 0 HJAARN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)C[C@@H](C)Cc1cccc(C)c1 ZINC000002371093 569388813 /nfs/dbraw/zinc/38/88/13/569388813.db2.gz AIHUAHHEWFCXSK-INIZCTEOSA-N 0 0 408.498 4.869 50 0 HJAARN Cc1nn(C)c(Cl)c1C(=O)N[C@H](C(=O)Nc1ccc(C(C)C)cc1)c1ccccc1 ZINC000008873973 569390749 /nfs/dbraw/zinc/39/07/49/569390749.db2.gz MWOIBUVRKWVBJY-FQEVSTJZSA-N 0 0 424.932 4.615 50 0 HJAARN Cc1c(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)[nH]c2c1C(=O)CCC2 ZINC000055148934 569391069 /nfs/dbraw/zinc/39/10/69/569391069.db2.gz WVNOPARQOGCBFM-UHFFFAOYSA-N 0 0 406.511 4.652 50 0 HJAARN CCCc1cc(=O)oc2cc(OC(=O)[C@@H](CC)NC(=O)OC(C)(C)C)c(Cl)cc12 ZINC000002389387 569392761 /nfs/dbraw/zinc/39/27/61/569392761.db2.gz IMOUTVNELFJKDM-OAHLLOKOSA-N 0 0 423.893 4.608 50 0 HJAARN CCCc1nc2sc3c(nc(SC)nc3NC[C@H]3CCCO3)c2c2c1CCC2 ZINC000002399618 569394839 /nfs/dbraw/zinc/39/48/39/569394839.db2.gz AJFGMWSLCWFFMR-GFCCVEGCSA-N 0 0 414.600 4.994 50 0 HJAARN COc1ccc(CNC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)cc1 ZINC000002400498 569395472 /nfs/dbraw/zinc/39/54/72/569395472.db2.gz DSYKKVSZLCGFIT-UHFFFAOYSA-N 0 0 411.914 4.987 50 0 HJAARN CCCCCOC(=O)c1c(N)n(-c2cccc(OC)c2)c2nc3ccccc3nc21 ZINC000002402836 569395791 /nfs/dbraw/zinc/39/57/91/569395791.db2.gz IOMQELJJCGOGCP-UHFFFAOYSA-N 0 0 404.470 4.512 50 0 HJAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)c1C ZINC000002415129 569397278 /nfs/dbraw/zinc/39/72/78/569397278.db2.gz SYEJEZDBSWUSAS-UHFFFAOYSA-N 0 0 408.483 4.527 50 0 HJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(F)cc2)N1Cc1ccco1 ZINC000002417279 569397357 /nfs/dbraw/zinc/39/73/57/569397357.db2.gz QCTACVLJWYKVNI-IBGZPJMESA-N 0 0 409.800 4.924 50 0 HJAARN Cc1ccc(C)c(S(=O)(=O)c2c(N)n(CCC(C)C)c3nc4ccccc4nc32)c1 ZINC000002420549 569398104 /nfs/dbraw/zinc/39/81/04/569398104.db2.gz VXPODPGBQRLWGA-UHFFFAOYSA-N 0 0 422.554 4.662 50 0 HJAARN CC[C@H](C)OC(=O)c1c(N)n(-c2ccc(OC)c(Cl)c2)c2nc3ccccc3nc12 ZINC000002425487 569398492 /nfs/dbraw/zinc/39/84/92/569398492.db2.gz VVQNDIFOCUVQES-LBPRGKRZSA-N 0 0 424.888 4.773 50 0 HJAARN CN(C)c1ccc([C@H](O)[P@@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1 ZINC000002439016 569400104 /nfs/dbraw/zinc/40/01/04/569400104.db2.gz SHTXJBNMQKJCIG-BTYSJIOQSA-N 0 0 416.502 4.762 50 0 HJAARN COc1ccc2cc(CN(C)C(=O)/C=C/c3ccc4c(c3)OCCCO4)ccc2c1 ZINC000012567394 569401995 /nfs/dbraw/zinc/40/19/95/569401995.db2.gz YVLXMPZQQXRLAX-IZZDOVSWSA-N 0 0 403.478 4.682 50 0 HJAARN CCOc1ccccc1-c1nc(CC(=O)N[C@H](C)c2ccc(F)c(F)c2)cs1 ZINC000012823938 569403876 /nfs/dbraw/zinc/40/38/76/569403876.db2.gz ZSXONTGOHJXUAI-CYBMUJFWSA-N 0 0 402.466 4.907 50 0 HJAARN Cc1ccn(-c2ccc(Nc3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3)nn2)n1 ZINC000013009709 569407108 /nfs/dbraw/zinc/40/71/08/569407108.db2.gz RCENNRAKBZYSNA-UHFFFAOYSA-N 0 0 418.888 4.549 50 0 HJAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000013063462 569408526 /nfs/dbraw/zinc/40/85/26/569408526.db2.gz JDLJJQMBFUEMRZ-UHFFFAOYSA-N 0 0 413.392 4.772 50 0 HJAARN CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1c(C(C)C)cccc1C(C)C)C2=O ZINC000013071608 569408609 /nfs/dbraw/zinc/40/86/09/569408609.db2.gz XBLZVJVFISCMBE-UHFFFAOYSA-N 0 0 413.562 4.763 50 0 HJAARN CC(C)CC(=O)N1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccc(F)cc1 ZINC000002456294 569410325 /nfs/dbraw/zinc/41/03/25/569410325.db2.gz YAXZTFIXFYEYTD-FQEVSTJZSA-N 0 0 419.294 4.504 50 0 HJAARN O=C(Nc1ccc(F)cc1)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000013355153 569411350 /nfs/dbraw/zinc/41/13/50/569411350.db2.gz DKSFOLCRRQMSIT-UHFFFAOYSA-N 0 0 424.497 4.530 50 0 HJAARN O=C(c1ccccc1)C1=NN(c2ccc(Cl)cc2)c2ccc(F)cc2S1(=O)=O ZINC000013363130 569412004 /nfs/dbraw/zinc/41/20/04/569412004.db2.gz HVOQGOHHWCYSGJ-UHFFFAOYSA-N 0 0 414.845 4.601 50 0 HJAARN CCc1ccc(-c2nc(SCC(=O)NC[C@H]3CCCO3)c(-c3ccccc3)[nH]2)cc1 ZINC000013365802 569412235 /nfs/dbraw/zinc/41/22/35/569412235.db2.gz SQFDLIHBNQVALY-HXUWFJFHSA-N 0 0 421.566 4.693 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 ZINC000013369049 569412519 /nfs/dbraw/zinc/41/25/19/569412519.db2.gz TVOLRXLKMPWBLO-UHFFFAOYSA-N 0 0 418.884 4.954 50 0 HJAARN CCOc1ccc(NS(=O)(=O)c2cccc3cncc(Br)c32)c(C)c1 ZINC000328595719 569415931 /nfs/dbraw/zinc/41/59/31/569415931.db2.gz CDKCYIJOCVLECX-UHFFFAOYSA-N 0 0 421.316 4.505 50 0 HJAARN O=C(Nc1ccccc1SCc1ccsc1)C(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000078948013 569421846 /nfs/dbraw/zinc/42/18/46/569421846.db2.gz IQKQPURULIHEKS-AEFFLSMTSA-N 0 0 400.569 4.770 50 0 HJAARN COc1cc(C(=O)N2CCC[C@@H]2CC(=O)c2cccs2)ccc1OC1CCCC1 ZINC000079045284 569425184 /nfs/dbraw/zinc/42/51/84/569425184.db2.gz IAHNKRCYRHMSIH-QGZVFWFLSA-N 0 0 413.539 4.956 50 0 HJAARN CC(C)Oc1ccc(C(=O)N2CCCC[C@@H]2c2nc(-c3cccc(F)c3)c[nH]2)cn1 ZINC000079046148 569425213 /nfs/dbraw/zinc/42/52/13/569425213.db2.gz LRWFJSWGAMIQHI-HXUWFJFHSA-N 0 0 408.477 4.765 50 0 HJAARN C[C@@H](O)C[C@H](CNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccccc1 ZINC000079104798 569427580 /nfs/dbraw/zinc/42/75/80/569427580.db2.gz ROGKNUOYGFROCJ-WIYYLYMNSA-N 0 0 407.485 4.689 50 0 HJAARN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2ccccc2)cc1 ZINC000079188381 569429090 /nfs/dbraw/zinc/42/90/90/569429090.db2.gz ZXRCVBICVMZDDN-KRWDZBQOSA-N 0 0 414.413 4.615 50 0 biogenic HJAARN COc1ccc(C2(CNC(=O)c3sc(-c4ccccc4)nc3C)CCOCC2)cc1 ZINC000079481589 569431851 /nfs/dbraw/zinc/43/18/51/569431851.db2.gz CUTNOPUDGBVOAL-UHFFFAOYSA-N 0 0 422.550 4.605 50 0 HJAARN COc1ccc(/C=C(\NC(=O)c2cccc(C)c2)C(=O)Nc2ccc(C)cc2)cc1 ZINC000000722066 571041400 /nfs/dbraw/zinc/04/14/00/571041400.db2.gz LMANATBEVKFWIN-KQWNVCNZSA-N 0 0 400.478 4.722 50 0 HJAARN O=S(=O)(NCc1ncc(C(F)(F)F)cc1Cl)c1cccc(Cl)c1Cl ZINC000263639618 571043512 /nfs/dbraw/zinc/04/35/12/571043512.db2.gz AMINXWXPKCRXAU-UHFFFAOYSA-N 0 0 419.639 4.539 50 0 HJAARN Cc1cc(C)cc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccccc2)c3=O)c1 ZINC000015425213 571043999 /nfs/dbraw/zinc/04/39/99/571043999.db2.gz NVORZMPXEHVLSI-UHFFFAOYSA-N 0 0 401.491 4.917 50 0 HJAARN COc1cccc(-c2noc(-c3cn(-c4cccc(F)c4)c(=O)c4ccccc34)n2)c1 ZINC000067245423 571054116 /nfs/dbraw/zinc/05/41/16/571054116.db2.gz LDDNPRKAATZDTH-UHFFFAOYSA-N 0 0 413.408 4.855 50 0 HJAARN Cc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)Nc2c(C)cccc2Cl)c1 ZINC000067246456 571054696 /nfs/dbraw/zinc/05/46/96/571054696.db2.gz LGCFQAICCBWATB-UHFFFAOYSA-N 0 0 410.905 4.513 50 0 HJAARN Cc1cc(SCC(=O)NCCc2ccc(Cl)cc2)nc(-c2cccc(F)c2)n1 ZINC000067257428 571056849 /nfs/dbraw/zinc/05/68/49/571056849.db2.gz OCSPOHUNLKBCTH-UHFFFAOYSA-N 0 0 415.921 4.696 50 0 HJAARN COc1ccc(-c2nc(C)cc(SCC(=O)N[C@@H](C)CCc3ccccc3)n2)cc1 ZINC000067257636 571057245 /nfs/dbraw/zinc/05/72/45/571057245.db2.gz UZBZXZDBJQAKKE-KRWDZBQOSA-N 0 0 421.566 4.690 50 0 HJAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccccc2)c(OC)c1 ZINC000067258879 571058180 /nfs/dbraw/zinc/05/81/80/571058180.db2.gz NNZMJBXMXFKZEO-UHFFFAOYSA-N 0 0 404.491 4.695 50 0 HJAARN COc1ccccc1-n1c(=O)c2ccccc2nc1SCc1cc(F)cc(F)c1 ZINC000067259549 571058909 /nfs/dbraw/zinc/05/89/09/571058909.db2.gz NVNKKJSFGMBWFK-UHFFFAOYSA-N 0 0 410.445 4.965 50 0 HJAARN COc1ccc(OC)c(CNc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)c1 ZINC000067288464 571066020 /nfs/dbraw/zinc/06/60/20/571066020.db2.gz FIVQZTNIWACWCO-UHFFFAOYSA-N 0 0 423.488 4.629 50 0 HJAARN CCOc1ccc(-c2cc3c(SCC(=O)N4CCCC[C@@H]4CC)nccn3n2)cc1 ZINC000067290334 571067463 /nfs/dbraw/zinc/06/74/63/571067463.db2.gz MSGGOPDGTJGXFJ-SFHVURJKSA-N 0 0 424.570 4.678 50 0 HJAARN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)N1CCc2ccccc2C1 ZINC000008518482 571067866 /nfs/dbraw/zinc/06/78/66/571067866.db2.gz PZWQRXXJNSKGNX-HSZRJFAPSA-N 0 0 418.924 4.786 50 0 HJAARN O=C(NC[C@@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1cccc(Cl)c1 ZINC000067292953 571068775 /nfs/dbraw/zinc/06/87/75/571068775.db2.gz KSSTWCZKZJJLRA-YEUWRSSNSA-N 0 0 417.292 4.881 50 0 HJAARN Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(C)c(F)c2)nc1 ZINC000067294386 571069845 /nfs/dbraw/zinc/06/98/45/571069845.db2.gz SQHPTYGMGJWYTR-RWEWTDSWSA-N 0 0 403.413 4.774 50 0 HJAARN CCOC(=O)c1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)c1 ZINC000067296050 571070810 /nfs/dbraw/zinc/07/08/10/571070810.db2.gz BEVXCFVUYJGDCP-GFMRDNFCSA-N 0 0 419.462 4.551 50 0 HJAARN COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3cc(C)ccc3F)oc21 ZINC000067299127 571073031 /nfs/dbraw/zinc/07/30/31/571073031.db2.gz SYMZBQYDOHQJGI-RWEWTDSWSA-N 0 0 406.413 4.644 50 0 HJAARN Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)c(Cl)c1 ZINC000067299326 571073330 /nfs/dbraw/zinc/07/33/30/571073330.db2.gz PKZUPJOOXQLDQF-LVWGJNHUSA-N 0 0 408.841 4.856 50 0 HJAARN Cc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)cc1 ZINC000008550472 571077901 /nfs/dbraw/zinc/07/79/01/571077901.db2.gz KLGZFBNJIAELHF-LJQANCHMSA-N 0 0 402.475 4.925 50 0 HJAARN CC[C@H](C)n1c(SCC(=O)Nc2ccc(C)cc2C)nc2ccsc2c1=O ZINC000067335110 571079434 /nfs/dbraw/zinc/07/94/34/571079434.db2.gz ADKJIOWSDSTCAH-AWEZNQCLSA-N 0 0 401.557 4.777 50 0 HJAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1sccc1NC(=O)c1cnccn1 ZINC000067335955 571079849 /nfs/dbraw/zinc/07/98/49/571079849.db2.gz XYALGEWAFBJTJI-UHFFFAOYSA-N 0 0 416.462 4.835 50 0 HJAARN O=C(Cc1ccccc1)c1cc2c(cc1NC(=O)c1ccc(Cl)cc1)OCCO2 ZINC000067340217 571080862 /nfs/dbraw/zinc/08/08/62/571080862.db2.gz ZHAXSZDUBSBRHM-UHFFFAOYSA-N 0 0 407.853 4.789 50 0 HJAARN C[C@H](c1ccccc1)N(C)C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 ZINC000008571845 571082368 /nfs/dbraw/zinc/08/23/68/571082368.db2.gz PYJRCVKRDKJVAB-QGZVFWFLSA-N 0 0 406.555 4.516 50 0 HJAARN Cc1cc(C)c(-c2n[nH]c3c2[C@@H](c2ccccc2F)N(Cc2ccco2)C3=O)c(O)c1 ZINC000008606634 571092326 /nfs/dbraw/zinc/09/23/26/571092326.db2.gz GCROJPVZWVPCKA-HSZRJFAPSA-N 0 0 417.440 4.877 50 0 aggregator HJAARN Cc1ccc(C(=O)N2CCc3cc(CNC(=O)CSc4ccccc4)ccc32)cc1 ZINC000008607307 571092684 /nfs/dbraw/zinc/09/26/84/571092684.db2.gz KLNYPGXBRGSOJN-UHFFFAOYSA-N 0 0 416.546 4.606 50 0 HJAARN Cc1cc(C(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)c(C)o1 ZINC000038934959 571097534 /nfs/dbraw/zinc/09/75/34/571097534.db2.gz OULUBGOTEDUZKW-SFHVURJKSA-N 0 0 423.943 4.556 50 0 HJAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)cc1 ZINC000008657318 571099171 /nfs/dbraw/zinc/09/91/71/571099171.db2.gz TTWQCNGTGSFJDT-SFHVURJKSA-N 0 0 415.468 4.753 50 0 HJAARN COc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(C)cc3)CC2=O)cc1 ZINC000008657323 571099198 /nfs/dbraw/zinc/09/91/98/571099198.db2.gz SSXMYZIGHRTZRI-HXUWFJFHSA-N 0 0 411.505 4.922 50 0 HJAARN Cc1ccnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccc(O)cc2)c1 ZINC000008664952 571099922 /nfs/dbraw/zinc/09/99/22/571099922.db2.gz ODXNFPKTTIVQOH-JOCHJYFZSA-N 0 0 412.445 4.569 50 0 HJAARN O=S(=O)(c1ccccc1Cl)N1CCC[C@@H]1c1nc(-c2ccccc2Cl)no1 ZINC000008672102 571100441 /nfs/dbraw/zinc/10/04/41/571100441.db2.gz LQJKYLSHHLNEMI-OAHLLOKOSA-N 0 0 424.309 4.569 50 0 HJAARN COc1ccccc1[C@H](C)NC(=O)COc1c(C)cc(Br)cc1Cl ZINC000008704536 571102979 /nfs/dbraw/zinc/10/29/79/571102979.db2.gz HJBNTBKUKOTIRD-LBPRGKRZSA-N 0 0 412.711 4.676 50 0 HJAARN CC(C)c1ccccc1NC(=O)CNc1ccccc1C(=O)NCc1ccccc1 ZINC000008729117 571109049 /nfs/dbraw/zinc/10/90/49/571109049.db2.gz KAIMHSMUECUACJ-UHFFFAOYSA-N 0 0 401.510 4.791 50 0 HJAARN Cc1cccc(C)c1NC(=O)CNC(=O)Cn1c(-c2ccccc2)cc2ccccc21 ZINC000008747492 571111347 /nfs/dbraw/zinc/11/13/47/571111347.db2.gz YLXKXODTPIPXRV-UHFFFAOYSA-N 0 0 411.505 4.680 50 0 HJAARN CCOC(=O)c1csc(-n2nc(/C=C\c3ccc(OC)cc3)cc2C(F)(F)F)n1 ZINC000008750772 571112214 /nfs/dbraw/zinc/11/22/14/571112214.db2.gz VFSQEKJGVDQPPS-DAXSKMNVSA-N 0 0 423.416 4.703 50 0 HJAARN Cc1ccc(-c2csc(NC(=O)Cc3ccc(N4CCCC4=O)cc3)n2)c(C)c1 ZINC000008762391 571114333 /nfs/dbraw/zinc/11/43/33/571114333.db2.gz AZGCUXKTLZFPCZ-UHFFFAOYSA-N 0 0 405.523 4.735 50 0 HJAARN Cc1nc(NC(=O)Nc2ccc(Cl)cc2)sc1C(=O)NCc1ccccc1 ZINC000008772152 571117579 /nfs/dbraw/zinc/11/75/79/571117579.db2.gz KWNYBAYKZCFOLQ-UHFFFAOYSA-N 0 0 400.891 4.679 50 0 HJAARN O=C(c1cn(-c2ccc(C(F)(F)F)cc2)nn1)c1ncc(C(F)(F)F)cc1Cl ZINC000008782197 571119575 /nfs/dbraw/zinc/11/95/75/571119575.db2.gz VLRRLQSXVNTOST-UHFFFAOYSA-N 0 0 420.700 4.584 50 0 HJAARN COc1ccc(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 ZINC000008845004 571125381 /nfs/dbraw/zinc/12/53/81/571125381.db2.gz MLCALRPQACMDOF-HXUWFJFHSA-N 0 0 411.505 4.922 50 0 HJAARN Cc1ccc(NC(=O)CSc2nc(CC(=O)NC3CCCCCC3)cs2)cc1 ZINC000008852786 571127527 /nfs/dbraw/zinc/12/75/27/571127527.db2.gz SBCKIVVKVHXACR-UHFFFAOYSA-N 0 0 417.600 4.564 50 0 HJAARN O=C(COc1ccc(-c2nc3ccccc3s2)cc1)Nc1ccc2c(c1)OCCO2 ZINC000008861076 571128733 /nfs/dbraw/zinc/12/87/33/571128733.db2.gz LVSYKYSJMINBQP-UHFFFAOYSA-N 0 0 418.474 4.752 50 0 HJAARN Cc1cccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCC3)o2)c1 ZINC000039843923 571134270 /nfs/dbraw/zinc/13/42/70/571134270.db2.gz NGRTZGZOJUQRLA-UHFFFAOYSA-N 0 0 402.903 4.736 50 0 HJAARN O=S(=O)(c1nc(-c2ccc(F)cc2)oc1NCCc1ccccc1)c1ccccc1 ZINC000039844123 571134590 /nfs/dbraw/zinc/13/45/90/571134590.db2.gz IHPCPFVHKKJQLV-UHFFFAOYSA-N 0 0 422.481 4.968 50 0 HJAARN COc1ccc(Cc2nnc(S[C@H](C)c3nnc(-c4ccc(C)cc4)o3)o2)cc1 ZINC000039982371 571136185 /nfs/dbraw/zinc/13/61/85/571136185.db2.gz AXXLMXHGVKUJHE-CQSZACIVSA-N 0 0 408.483 4.881 50 0 HJAARN COc1ccc([C@H](NC(=O)CSc2ccc(Br)cc2)C2CC2)cc1 ZINC000040017430 571138768 /nfs/dbraw/zinc/13/87/68/571138768.db2.gz KUUKCEZVCWMUFS-LJQANCHMSA-N 0 0 406.345 4.817 50 0 HJAARN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000040018317 571139022 /nfs/dbraw/zinc/13/90/22/571139022.db2.gz ZTWZCLISFCZDKV-HSZRJFAPSA-N 0 0 422.506 4.686 50 0 HJAARN COc1cccc(CN(C)C(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000068923783 571139906 /nfs/dbraw/zinc/13/99/06/571139906.db2.gz BCOKJFLYRVCMTG-UHFFFAOYSA-N 0 0 423.896 4.617 50 0 HJAARN COc1cc(CCC2CCN(C(=O)[C@H]3Cc4ccccc4S3)CC2)cc(OC)c1 ZINC000040033975 571141392 /nfs/dbraw/zinc/14/13/92/571141392.db2.gz OHKBTFBRKMCKDT-HSZRJFAPSA-N 0 0 411.567 4.592 50 0 HJAARN O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000040037398 571141613 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Cc1cc(N2CCN(c3cccc(Cl)c3)CC2)n2nc(-c3ccccc3)cc2n1 ZINC000003059461 132262373 /nfs/dbraw/zinc/26/23/73/132262373.db2.gz DDIVBPLWDQUZHC-UHFFFAOYSA-N 0 0 403.917 4.685 50 0 HJAARN COc1ccc2c(c1)C(=O)N(c1ccccc1OC)C(=O)/C2=C\c1ccc(C)s1 ZINC000003286478 132264016 /nfs/dbraw/zinc/26/40/16/132264016.db2.gz VKWSVVCVMCCQGQ-UYRXBGFRSA-N 0 0 405.475 4.801 50 0 HJAARN Cc1ccc(-c2csc3ncnc(N4CCN(C(=O)c5ccccc5)CC4)c23)cc1 ZINC000003443658 132266238 /nfs/dbraw/zinc/26/62/38/132266238.db2.gz JGCNPHHRJPPABU-UHFFFAOYSA-N 0 0 414.534 4.629 50 0 HJAARN O=C(NCc1ccco1)c1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)CS2 ZINC000003645340 132267500 /nfs/dbraw/zinc/26/75/00/132267500.db2.gz YHQDODRUBXTWGJ-UHFFFAOYSA-N 0 0 412.898 4.502 50 0 HJAARN Cc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)cc1C ZINC000004677852 132282546 /nfs/dbraw/zinc/28/25/46/132282546.db2.gz CQJHOTOHIPMENX-UHFFFAOYSA-N 0 0 413.521 4.518 50 0 HJAARN C[C@@]12C[C@@H](NC(=O)N1c1ccc3c(c1)OCCO3)c1cc(Cl)cc(Cl)c1O2 ZINC000004852952 132290848 /nfs/dbraw/zinc/29/08/48/132290848.db2.gz CACPIVVJRZXDNT-AUUYWEPGSA-N 0 0 407.253 4.534 50 0 HJAARN COc1ccc(C)cc1N1C(=O)N[C@H]2C[C@]1(C)Oc1ccc(Br)cc12 ZINC000004908252 132293079 /nfs/dbraw/zinc/29/30/79/132293079.db2.gz WXXKEDHJPXFSEI-LIRRHRJNSA-N 0 0 403.276 4.536 50 0 HJAARN O=C(Nc1ccc(N2CCOCC2)c(NC(=O)C2CCCCC2)c1)C1CCCCC1 ZINC000004954461 132296896 /nfs/dbraw/zinc/29/68/96/132296896.db2.gz MFQLOSMWMQKRRE-UHFFFAOYSA-N 0 0 413.562 4.561 50 0 HJAARN Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(C)cc4)CC3)cc2)cc1 ZINC000004983801 132297800 /nfs/dbraw/zinc/29/78/00/132297800.db2.gz QZNDEZVGGJNBLL-UHFFFAOYSA-N 0 0 413.521 4.518 50 0 HJAARN CCCCNC(=O)[C@@H](C)[C@@H]1Sc2ccccc2N(Cc2cc(C)ccc2C)C1=O ZINC000005022173 132298465 /nfs/dbraw/zinc/29/84/65/132298465.db2.gz MDEMBYFYCHRUMC-AVRDEDQJSA-N 0 0 410.583 4.863 50 0 HJAARN CCCCNC(=O)[C@H](C)[C@@H]1Sc2ccccc2N(Cc2cc(C)ccc2C)C1=O ZINC000005022177 132298485 /nfs/dbraw/zinc/29/84/85/132298485.db2.gz MDEMBYFYCHRUMC-GCJKJVERSA-N 0 0 410.583 4.863 50 0 HJAARN C[C@H](Cc1ccc2c(c1)OCO2)[C@@H]1Nc2ccccc2C(=O)N1c1ccc(F)cc1 ZINC000005934398 132308662 /nfs/dbraw/zinc/30/86/62/132308662.db2.gz ALLBFZSPIIVWLU-IQMFZBJNSA-N 0 0 404.441 4.832 50 0 HJAARN C[C@@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000006285318 132310139 /nfs/dbraw/zinc/31/01/39/132310139.db2.gz QZMPLNCRGHCGQP-LJQANCHMSA-N 0 0 417.509 4.755 50 0 HJAARN Cc1ccc([C@@]2(C)CC(C)(C)N(C(=O)CSc3nc[nH]n3)c3ccccc32)cc1 ZINC000006427038 132311113 /nfs/dbraw/zinc/31/11/13/132311113.db2.gz BPRYWGJGWPFEMZ-HSZRJFAPSA-N 0 0 406.555 4.727 50 0 HJAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cnc2ccccc2n1 ZINC000006647081 132312310 /nfs/dbraw/zinc/31/23/10/132312310.db2.gz DDJHXHWMPYUOBO-UHFFFAOYSA-N 0 0 400.404 4.891 50 0 HJAARN CCOC(=O)c1c(NC(=O)N2C[C@@H](C)Oc3ccc(C)cc32)sc2c1CCCC2 ZINC000006842838 132319057 /nfs/dbraw/zinc/31/90/57/132319057.db2.gz LQEOXECFTAQCDT-CQSZACIVSA-N 0 0 414.527 4.931 50 0 HJAARN Cc1ccc(CN2c3ccccc3S(=O)(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000006918444 132320787 /nfs/dbraw/zinc/32/07/87/132320787.db2.gz NYSUSKDEBPZYEI-UHFFFAOYSA-N 0 0 406.507 4.947 50 0 HJAARN Cc1ccc(N2C(=O)CCS[C@@]23c2ccccc2N(Cc2ccccc2)C3=O)cc1 ZINC000007001519 132321917 /nfs/dbraw/zinc/32/19/17/132321917.db2.gz PGLVPCUMMAAXCX-RUZDIDTESA-N 0 0 414.530 4.865 50 0 HJAARN O=C(CCCc1nc2ccccc2s1)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000008194416 132328629 /nfs/dbraw/zinc/32/86/29/132328629.db2.gz MSTVMBBYPQIMJB-UHFFFAOYSA-N 0 0 415.946 4.748 50 0 HJAARN COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000008270343 132329012 /nfs/dbraw/zinc/32/90/12/132329012.db2.gz INTTUGGCOTZNQG-ISKFKSNPSA-N 0 0 400.478 4.818 50 0 HJAARN COc1ccc([C@@H]2CCCCCN2C(=O)CCN2C(=O)CSc3ccccc32)cc1 ZINC000008394267 132329908 /nfs/dbraw/zinc/32/99/08/132329908.db2.gz SRJOVFOXXIQGQA-FQEVSTJZSA-N 0 0 424.566 4.668 50 0 HJAARN Cc1ccc(Cl)cc1N1CCN(c2ncnc3onc(-c4ccc(F)cc4)c32)CC1 ZINC000008595080 132330874 /nfs/dbraw/zinc/33/08/74/132330874.db2.gz CYMSLWUILFGEKX-UHFFFAOYSA-N 0 0 423.879 4.712 50 0 HJAARN O=C(c1ccc2nc(-n3cccc3)sc2c1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000008993680 132334640 /nfs/dbraw/zinc/33/46/40/132334640.db2.gz FPPMDGMDBPGMTQ-UHFFFAOYSA-N 0 0 422.941 4.703 50 0 HJAARN O=C(COC(=O)c1ccc(Cl)nc1)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000009245119 132337493 /nfs/dbraw/zinc/33/74/93/132337493.db2.gz XHUHRWQTSVGIQW-GOSISDBHSA-N 0 0 424.909 4.772 50 0 HJAARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(N2CCCCC2=O)cc1 ZINC000009318294 132338490 /nfs/dbraw/zinc/33/84/90/132338490.db2.gz GABSYVUMMZJAKJ-UHFFFAOYSA-N 0 0 416.506 4.832 50 0 HJAARN Cc1ccc(Sc2ncccc2C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000009697143 132342698 /nfs/dbraw/zinc/34/26/98/132342698.db2.gz FOYMSVBISWSRGX-UHFFFAOYSA-N 0 0 419.550 4.939 50 0 HJAARN O=c1c(Cl)c(N2CCC[C@H](c3nc4ccccc4s3)C2)cnn1-c1ccccc1 ZINC000009727792 132343080 /nfs/dbraw/zinc/34/30/80/132343080.db2.gz RAOBUZRNUHAYND-HNNXBMFYSA-N 0 0 422.941 4.880 50 0 HJAARN CCc1ccc(N2C(=O)N(Cc3cccc(F)c3)c3ccccc3S2(=O)=O)cc1 ZINC000010272669 132345687 /nfs/dbraw/zinc/34/56/87/132345687.db2.gz TWVFPAUIUMGQCZ-UHFFFAOYSA-N 0 0 410.470 4.724 50 0 HJAARN CCCCN1C(=O)COc2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc21 ZINC000012167735 132355711 /nfs/dbraw/zinc/35/57/11/132355711.db2.gz GXZQVTCWONRRIF-UHFFFAOYSA-N 0 0 414.505 4.983 50 0 HJAARN Cc1ccc(CS(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1 ZINC000012180560 132355753 /nfs/dbraw/zinc/35/57/53/132355753.db2.gz KREAASSKYMTTPS-UHFFFAOYSA-N 0 0 420.534 4.530 50 0 HJAARN CC(=O)c1ccc(N2CCN(Cn3c4ccccc4sc3=S)CC2)c(F)c1 ZINC000012543744 132362637 /nfs/dbraw/zinc/36/26/37/132362637.db2.gz KYYRCLRXRFNHNH-UHFFFAOYSA-N 0 0 401.532 4.554 50 0 HJAARN CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)N3CCCc4ccccc43)o2)cc1 ZINC000012863336 132367931 /nfs/dbraw/zinc/36/79/31/132367931.db2.gz FPFKBVYBQFBAID-HNNXBMFYSA-N 0 0 409.511 4.595 50 0 HJAARN CCc1ccccc1NC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 ZINC000013583488 132457707 /nfs/dbraw/zinc/45/77/07/132457707.db2.gz YIQNWFQDXCZTOL-UHFFFAOYSA-N 0 0 420.534 4.643 50 0 HJAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000020939263 132471635 /nfs/dbraw/zinc/47/16/35/132471635.db2.gz UVWFLPKLLPGBJZ-UHFFFAOYSA-N 0 0 410.543 4.515 50 0 HJAARN CCc1ccc(CNC(=O)c2ccc(Oc3nccnc3N3CCCCC3)cc2)cc1 ZINC000033170756 132778268 /nfs/dbraw/zinc/77/82/68/132778268.db2.gz OFBHKALYCNYJEV-UHFFFAOYSA-N 0 0 416.525 4.752 50 0 HJAARN Cc1cc(C(=O)Nc2ccccc2Cl)cc2c1N(C)S(=O)(=O)c1ccccc1-2 ZINC000033271982 132783039 /nfs/dbraw/zinc/78/30/39/132783039.db2.gz KBGWXLRZERARAR-UHFFFAOYSA-N 0 0 412.898 4.706 50 0 HJAARN CCc1ccc(Oc2nccnc2N2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000033288333 132784340 /nfs/dbraw/zinc/78/43/40/132784340.db2.gz KNUMIULYLVIAAO-UHFFFAOYSA-N 0 0 402.498 4.686 50 0 HJAARN COc1ccc(NC(=O)C2CC2)cc1N1CCCN(Cc2cccc(Cl)c2)C1=O ZINC000034739807 132798060 /nfs/dbraw/zinc/79/80/60/132798060.db2.gz UIIMIUDJGPPETC-UHFFFAOYSA-N 0 0 413.905 4.529 50 0 HJAARN CC[C@H](C)NC(=O)c1nnc(N2CCC(Cc3ccccc3)CC2)c2ccccc21 ZINC000034837623 132799190 /nfs/dbraw/zinc/79/91/90/132799190.db2.gz GWCASVKBRWUXKN-SFHVURJKSA-N 0 0 402.542 4.617 50 0 HJAARN Cc1ccccc1-c1ccc(N2CCC[C@H](C(=O)NCCC3=CCCCC3)C2)nn1 ZINC000035397984 132801453 /nfs/dbraw/zinc/80/14/53/132801453.db2.gz HEZDNLSWJDMGNN-NRFANRHFSA-N 0 0 404.558 4.675 50 0 HJAARN Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)Nc4ccc(Cl)cc4)C3)nn2)cc1 ZINC000035398151 132801542 /nfs/dbraw/zinc/80/15/42/132801542.db2.gz DMXKSCVPAILSOR-GOSISDBHSA-N 0 0 406.917 4.961 50 0 HJAARN Cc1ccc(-c2ccc(N3CCC(C(=O)Nc4ccc(C)cc4C)CC3)nn2)cc1 ZINC000035398518 132801707 /nfs/dbraw/zinc/80/17/07/132801707.db2.gz UVMIYQJELUEESW-UHFFFAOYSA-N 0 0 400.526 4.924 50 0 HJAARN CC(=O)c1c(C)cc(C)c(CN2C(=O)N[C@@](C)(c3cc4ccccc4o3)C2=O)c1C ZINC000024749672 518233113 /nfs/dbraw/zinc/23/31/13/518233113.db2.gz HXPHIEPPSVZFAV-DEOSSOPVSA-N 0 0 404.466 4.528 50 0 HJAARN CC(C)(C)c1ccc(-c2nc(-c3cccc(OCC(=O)N4CCCC4)c3)no2)cc1 ZINC000044974440 519008874 /nfs/dbraw/zinc/00/88/74/519008874.db2.gz LTGIJTPSHBWCQQ-UHFFFAOYSA-N 0 0 405.498 4.702 50 0 HJAARN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1 ZINC000041157128 519391737 /nfs/dbraw/zinc/39/17/37/519391737.db2.gz LUQPNPLPVIYOGJ-KRWDZBQOSA-N 0 0 423.738 4.886 50 0 HJAARN CC(C)Cc1ccc([C@@H](C)C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000020224052 519442778 /nfs/dbraw/zinc/44/27/78/519442778.db2.gz PKVWLAZMWYDPCN-QGZVFWFLSA-N 0 0 419.491 4.751 50 0 HJAARN CC(=O)NCCc1ccc(-c2csc(NC(=O)[C@H]3CCCc4ccccc43)n2)cc1 ZINC000032760077 519668368 /nfs/dbraw/zinc/66/83/68/519668368.db2.gz JHPPNEYEZBMNMM-NRFANRHFSA-N 0 0 419.550 4.547 50 0 HJAARN CC(C)[C@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)N(C)C1CCCCC1 ZINC000043851937 519824124 /nfs/dbraw/zinc/82/41/24/519824124.db2.gz PFYHTZWTAFFRHL-IBGZPJMESA-N 0 0 416.591 4.705 50 0 HJAARN CCN(C(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1)c1cc(C)ccc1C ZINC000045517295 520076107 /nfs/dbraw/zinc/07/61/07/520076107.db2.gz OXVPDHUXZJVQFG-UHFFFAOYSA-N 0 0 411.505 4.978 50 0 HJAARN CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)N1CCn2cccc2[C@@H]1C ZINC000030262160 520078435 /nfs/dbraw/zinc/07/84/35/520078435.db2.gz ODSILPFCPQHQRK-HNNXBMFYSA-N 0 0 405.527 4.759 50 0 HJAARN CCCOc1c(Cl)cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1Cl ZINC000032624510 520294123 /nfs/dbraw/zinc/29/41/23/520294123.db2.gz LAEBFOGHSYNOSW-SNVBAGLBSA-N 0 0 409.269 4.754 50 0 HJAARN CCN(CC)C(=O)[C@@H](Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccccc1 ZINC000032739724 520525576 /nfs/dbraw/zinc/52/55/76/520525576.db2.gz RRGNBUJYAQRQCI-QHCPKHFHSA-N 0 0 417.557 4.693 50 0 HJAARN CCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)cc1 ZINC000032754610 520554133 /nfs/dbraw/zinc/55/41/33/520554133.db2.gz PPGJIBVMUGLZIB-UHFFFAOYSA-N 0 0 418.468 4.791 50 0 HJAARN CCCCOc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1ccc(Cl)nn1 ZINC000032103151 520917994 /nfs/dbraw/zinc/91/79/94/520917994.db2.gz ZRVRGPILORRYAB-OAHLLOKOSA-N 0 0 411.893 4.927 50 0 HJAARN CCCN(Cc1cc(=O)[nH]c2c(OC)cccc12)C(=O)Nc1cccc(SC)c1 ZINC000041089912 521680620 /nfs/dbraw/zinc/68/06/20/521680620.db2.gz GOZOIFXKXFCURN-UHFFFAOYSA-N 0 0 411.527 4.703 50 0 HJAARN CCSC1=NC2(CCN(C(=O)Nc3ccc(F)cc3)CC2)N=C1c1ccccc1 ZINC000020578174 521695141 /nfs/dbraw/zinc/69/51/41/521695141.db2.gz KWSQHNRGXPFRDK-UHFFFAOYSA-N 0 0 410.518 4.804 50 0 HJAARN CCc1cccc(NC(=O)C2CCN(c3nccnc3Oc3ccc(C)cc3)CC2)c1 ZINC000033141925 521748654 /nfs/dbraw/zinc/74/86/54/521748654.db2.gz IJGDRFGLNAXPGP-UHFFFAOYSA-N 0 0 416.525 4.995 50 0 HJAARN CCc1ccccc1NC(=O)[C@@H](C)Oc1cc(-c2ccccc2)c2c(C)nn(C)c2n1 ZINC000045991961 521901892 /nfs/dbraw/zinc/90/18/92/521901892.db2.gz ITSYHDIGBNBSDY-QGZVFWFLSA-N 0 0 414.509 4.912 50 0 HJAARN COC(=O)c1ccccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)o1 ZINC000106681298 522256223 /nfs/dbraw/zinc/25/62/23/522256223.db2.gz MWDRLXVDWKBBRP-MOSHPQCFSA-N 0 0 419.458 4.970 50 0 HJAARN COc1cc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)o2)cc(OC)c1 ZINC000045943125 522666737 /nfs/dbraw/zinc/66/67/37/522666737.db2.gz NZYKRNTZMQCTQK-UHFFFAOYSA-N 0 0 404.875 4.743 50 0 HJAARN COc1cc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)cc(OC)c1 ZINC000036705393 522703577 /nfs/dbraw/zinc/70/35/77/522703577.db2.gz KERGLQWABPMFMI-UHFFFAOYSA-N 0 0 419.437 4.730 50 0 HJAARN COc1cc2ccccc2cc1C(=O)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 ZINC000000677493 523062347 /nfs/dbraw/zinc/06/23/47/523062347.db2.gz LQXJWDPLSFIUQE-UHFFFAOYSA-N 0 0 412.424 4.974 50 0 HJAARN CCn1c(COc2ccc(C)c(C)c2)nnc1SCC(=O)Nc1cccc(C)c1C ZINC000017094079 523199394 /nfs/dbraw/zinc/19/93/94/523199394.db2.gz GFDDASZNLNWMLJ-UHFFFAOYSA-N 0 0 424.570 4.841 50 0 HJAARN COCc1nn2c(ncc3c2ccn([C@H]2CCCC[C@@H]2C)c3=O)c1-c1ccccc1 ZINC000040396422 523248151 /nfs/dbraw/zinc/24/81/51/523248151.db2.gz RNTKTLZNRUKPPH-JXFKEZNVSA-N 0 0 402.498 4.609 50 0 HJAARN CN(Cc1ccccc1)C(=O)Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1 ZINC000044164229 523332935 /nfs/dbraw/zinc/33/29/35/523332935.db2.gz UNHYYHXTMMZZNS-UHFFFAOYSA-N 0 0 414.918 4.642 50 0 HJAARN CN(Cc1ccccc1N1CCCCC1)C(=O)NCc1ccccc1OC(F)F ZINC000022881960 523374636 /nfs/dbraw/zinc/37/46/36/523374636.db2.gz KCTINJMYBQMALU-UHFFFAOYSA-N 0 0 403.473 4.620 50 0 HJAARN CCc1c(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cnn1-c1ccccn1 ZINC000032815158 523704269 /nfs/dbraw/zinc/70/42/69/523704269.db2.gz OQDXYLDECWHTIR-UHFFFAOYSA-N 0 0 414.465 4.883 50 0 HJAARN COc1ccc(C(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)cc1OC ZINC000032960619 523749947 /nfs/dbraw/zinc/74/99/47/523749947.db2.gz HDAMOTVNLZFGHL-UHFFFAOYSA-N 0 0 401.466 4.618 50 0 HJAARN COc1ccc(C)cc1NC(=O)c1ccc(Cl)c(-n2c(C)nc3cccnc32)c1 ZINC000032932220 523842793 /nfs/dbraw/zinc/84/27/93/523842793.db2.gz LPDRPJXVXRDKLW-UHFFFAOYSA-N 0 0 406.873 4.952 50 0 HJAARN COc1ccc(C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000040485873 523871963 /nfs/dbraw/zinc/87/19/63/523871963.db2.gz LVLQPKPCOFKRTD-OAQYLSRUSA-N 0 0 406.869 4.796 50 0 HJAARN COc1ccc(CC(=O)Nc2ccccc2-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000032623059 523911260 /nfs/dbraw/zinc/91/12/60/523911260.db2.gz AZJHMWTZNSBRRN-UHFFFAOYSA-N 0 0 403.413 4.733 50 0 HJAARN CCc1ccc(NC(=O)COc2cc(C)c3c(C)nn(-c4cccc(F)c4)c3n2)cc1 ZINC000045990951 523973311 /nfs/dbraw/zinc/97/33/11/523973311.db2.gz QETVPZTYGIFPBR-UHFFFAOYSA-N 0 0 418.472 4.756 50 0 HJAARN CCc1ccc(NC(=O)C[C@H](c2ccc(OC)cc2)N2Cc3ccccc3C2=O)cc1 ZINC000020560607 523975196 /nfs/dbraw/zinc/97/51/96/523975196.db2.gz WARJSDJDDNPOFR-XMMPIXPASA-N 0 0 414.505 4.984 50 0 HJAARN CCc1ccc(NC(=O)[C@@H](C)Oc2cc(-c3ccccc3)c3c(C)nn(C)c3n2)cc1 ZINC000045991967 523987381 /nfs/dbraw/zinc/98/73/81/523987381.db2.gz GVBCXRWEHAWNEW-QGZVFWFLSA-N 0 0 414.509 4.912 50 0 HJAARN CCc1ccc([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)OC3)cc1 ZINC000001429641 524052635 /nfs/dbraw/zinc/05/26/35/524052635.db2.gz BPJQOLNEWVKZRT-QGZVFWFLSA-N 0 0 401.384 4.599 50 0 HJAARN CCc1cccc(C)c1NC(=O)[C@@H](CC)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944727 524065669 /nfs/dbraw/zinc/06/56/69/524065669.db2.gz NOWFKVGLNDZPBJ-MRXNPFEDSA-N 0 0 417.431 4.876 50 0 HJAARN Cc1ccc(C)c(CNC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)c1 ZINC000032578972 524103690 /nfs/dbraw/zinc/10/36/90/524103690.db2.gz GQDZEEPFMRYSAZ-UHFFFAOYSA-N 0 0 413.477 4.716 50 0 HJAARN Cc1cccc(/C=C/C(=O)Nc2cc(NC(=O)CN3CCCC[C@H]3C)ccc2F)c1 ZINC000032931691 524153725 /nfs/dbraw/zinc/15/37/25/524153725.db2.gz NYDIYPPXKLKEPW-ZPHJMFTNSA-N 0 0 409.505 4.599 50 0 HJAARN Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000044142440 524172348 /nfs/dbraw/zinc/17/23/48/524172348.db2.gz RUXFLUCEOBSZLK-UHFFFAOYSA-N 0 0 405.420 4.572 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)CCSCc1nc2ccccc2nc1C ZINC000032778716 524219748 /nfs/dbraw/zinc/21/97/48/524219748.db2.gz UTFVHDYYJHINIV-UHFFFAOYSA-N 0 0 401.919 4.862 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC000020531226 524239741 /nfs/dbraw/zinc/23/97/41/524239741.db2.gz GTQHJMRHLASZMB-NRFANRHFSA-N 0 0 420.896 4.554 50 0 HJAARN COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1OC ZINC000036246211 524368699 /nfs/dbraw/zinc/36/86/99/524368699.db2.gz UGIZRNLVIQIHOL-UHFFFAOYSA-N 0 0 417.914 4.753 50 0 HJAARN CC(=O)O[C@@H]1C[C@@H](C)N(C(=O)c2ccc(Br)cc2)c2ccc(C)cc21 ZINC000004742658 534779374 /nfs/dbraw/zinc/77/93/74/534779374.db2.gz AULWGLLOQORMQI-BFUOFWGJSA-N 0 0 402.288 4.801 50 0 HJAARN COc1ccc(NC(=O)C2(S(=O)(=O)c3cc(C)ccc3C)CCCC2)cc1Cl ZINC000043739853 524470324 /nfs/dbraw/zinc/47/03/24/524470324.db2.gz UTUOHBWWXSPGGA-UHFFFAOYSA-N 0 0 421.946 4.691 50 0 HJAARN Cc1cccc(N(Cc2ccccc2)C(=O)CCCn2c3ccccc3oc2=O)c1 ZINC000006849963 524524846 /nfs/dbraw/zinc/52/48/46/524524846.db2.gz XHBMZLGRDHZXFZ-UHFFFAOYSA-N 0 0 400.478 4.917 50 0 HJAARN COc1ccc(NC(=O)NCCn2c3ccccc3nc2-c2ccccc2)c(OC)c1 ZINC000032951389 524564637 /nfs/dbraw/zinc/56/46/37/524564637.db2.gz SRWOWZALZXSACE-UHFFFAOYSA-N 0 0 416.481 4.542 50 0 HJAARN COc1ccccc1NC(=O)N[C@H](Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000032948856 524614257 /nfs/dbraw/zinc/61/42/57/524614257.db2.gz LSXIZXCBEIDMNT-LJQANCHMSA-N 0 0 422.456 4.539 50 0 HJAARN COc1ccc(NC(=O)c2ccc3cc(C)cn3c2)cc1NC(=O)c1cccc(F)c1 ZINC000225808063 524639182 /nfs/dbraw/zinc/63/91/82/524639182.db2.gz BWNDTESNUYXFOV-UHFFFAOYSA-N 0 0 417.440 4.900 50 0 HJAARN COc1ccc(Nc2c3c(nc4nc(Cc5ccc(Cl)cc5)nn42)CCCC3)cc1 ZINC000045961035 524714445 /nfs/dbraw/zinc/71/44/45/524714445.db2.gz IGAWZHLYQVYRCI-UHFFFAOYSA-N 0 0 419.916 5.000 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1 ZINC000032953853 524751148 /nfs/dbraw/zinc/75/11/48/524751148.db2.gz ZUIKOSVYCXEUFG-UHFFFAOYSA-N 0 0 410.905 4.986 50 0 HJAARN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CCC(=O)N2CCCCC2)c1 ZINC000032975000 524795966 /nfs/dbraw/zinc/79/59/66/524795966.db2.gz PFFAVQCXQMBBGG-UHFFFAOYSA-N 0 0 419.525 4.502 50 0 HJAARN C[C@H](NC(=O)C[C@@H](NC(N)=O)c1ccccc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000030229717 524978849 /nfs/dbraw/zinc/97/88/49/524978849.db2.gz YLHVXQXUHYEQNA-KSFYIVLOSA-N 0 0 421.928 4.984 50 0 HJAARN C[C@@H](NC(=O)CN(Cc1cccs1)Cc1cccs1)c1ccc(F)cc1F ZINC000032775753 525099904 /nfs/dbraw/zinc/09/99/04/525099904.db2.gz KVYOSAIMGQEDSD-CQSZACIVSA-N 0 0 406.523 4.967 50 0 HJAARN Cc1ccc(NC(=O)N2CCC(n3c4ncccc4nc3C(F)(F)F)CC2)c(C)c1 ZINC000032949964 525121227 /nfs/dbraw/zinc/12/12/27/525121227.db2.gz AZXNKNJNHIIGRW-UHFFFAOYSA-N 0 0 417.435 4.936 50 0 HJAARN COc1ccc([C@@H](CC(=O)NC2CCCCCC2)N2Cc3ccccc3C2=O)cc1 ZINC000020560588 525170793 /nfs/dbraw/zinc/17/07/93/525170793.db2.gz VEHYLLCWWUAZOC-HSZRJFAPSA-N 0 0 406.526 4.621 50 0 HJAARN Cc1ccc(NC(=O)N[C@@H](Cc2ccc(F)cc2)Cc2ccc3c(c2)OCO3)cc1 ZINC000032948879 525171668 /nfs/dbraw/zinc/17/16/68/525171668.db2.gz VHVANBAIWBHNBI-NRFANRHFSA-N 0 0 406.457 4.838 50 0 HJAARN Cc1ccc(NC(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)c(Cl)c1 ZINC000032953843 525185395 /nfs/dbraw/zinc/18/53/95/525185395.db2.gz ITJFKUDPCXAWTI-UHFFFAOYSA-N 0 0 410.905 4.986 50 0 HJAARN COc1ccc([C@@H]2CC(=O)c3c(C)nc(Nc4ccc(C)cc4)nc3C2)c(OC)c1 ZINC000020101530 525237155 /nfs/dbraw/zinc/23/71/55/525237155.db2.gz WNDRLZAEFXQXOP-INIZCTEOSA-N 0 0 403.482 4.767 50 0 HJAARN CC(=O)c1ccc(N2CCN(C(=O)c3cc(C)c(-c4ccccc4)s3)CC2)cc1 ZINC000001056213 534849566 /nfs/dbraw/zinc/84/95/66/534849566.db2.gz PNRFIGWMUIJMOM-UHFFFAOYSA-N 0 0 404.535 4.889 50 0 HJAARN CC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)cc1 ZINC000008726272 534849908 /nfs/dbraw/zinc/84/99/08/534849908.db2.gz MCFFFMKMZCRQFN-UHFFFAOYSA-N 0 0 408.885 4.765 50 0 HJAARN COc1ccc2cc([C@H](C)C(=O)N[C@@H](c3nccn3C)c3ccc(F)cc3)ccc2c1 ZINC000032830715 525638140 /nfs/dbraw/zinc/63/81/40/525638140.db2.gz FBUADDGIKLEDFL-QMHKHESXSA-N 0 0 417.484 4.730 50 0 HJAARN Cc1ccc(Sc2cc3c(cc2NC(=O)c2ccccc2C)n(C)c(=O)n3C)cc1 ZINC000045940936 525670954 /nfs/dbraw/zinc/67/09/54/525670954.db2.gz YKRCVUGTCSOLOE-UHFFFAOYSA-N 0 0 417.534 4.897 50 0 HJAARN COc1ccc2nc(NC(=O)c3cc(C4CC4)nc4c3cnn4C(C)C)sc2c1 ZINC000032674465 525674694 /nfs/dbraw/zinc/67/46/94/525674694.db2.gz ROPBXSUCEOXDKW-UHFFFAOYSA-N 0 0 407.499 4.760 50 0 HJAARN COc1ccc2oc(-c3noc([C@H]4CC(=O)N(c5ccc(C)c(C)c5)C4)n3)c(C)c2c1 ZINC000040455058 525683842 /nfs/dbraw/zinc/68/38/42/525683842.db2.gz ZWNWTQLSDOPQPF-INIZCTEOSA-N 0 0 417.465 4.937 50 0 HJAARN C[C@H](OC(=O)c1ccc(SCc2cscn2)cc1)C(=O)Nc1ccccc1F ZINC000032902175 525893337 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4.993 50 0 biogenic HJAARN Cc1ccc(C(=O)c2ccccc2C(=O)NCc2ccccc2Cn2ccnc2)cc1C ZINC000032905572 526241473 /nfs/dbraw/zinc/24/14/73/526241473.db2.gz VGNSRBAXYCBZLK-UHFFFAOYSA-N 0 0 423.516 4.709 50 0 HJAARN Cc1nn2c(ncc3c2ccn(Cc2ccc(Cl)cc2)c3=O)c1-c1ccccc1 ZINC000040387992 526313282 /nfs/dbraw/zinc/31/32/82/526313282.db2.gz MOFFAEWIXFLGBD-UHFFFAOYSA-N 0 0 400.869 4.721 50 0 HJAARN Cc1nnc(SCC(=O)NC2=Nc3ccccc3N=C(C)[C@@H]2c2ccccc2)s1 ZINC000001128630 526379610 /nfs/dbraw/zinc/37/96/10/526379610.db2.gz KWXDNIICYIJJGZ-LJQANCHMSA-N 0 0 421.551 4.675 50 0 HJAARN Cc1csc(NC(=O)c2cccnc2Oc2ccc(F)cc2Br)n1 ZINC000044815876 526393145 /nfs/dbraw/zinc/39/31/45/526393145.db2.gz DITNEZYUQFHJJD-UHFFFAOYSA-N 0 0 408.252 4.793 50 0 HJAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)c2)c1C ZINC000020580582 526450098 /nfs/dbraw/zinc/45/00/98/526450098.db2.gz CHXGXRHIXZYZGH-UHFFFAOYSA-N 0 0 424.566 4.910 50 0 HJAARN Cc1noc(C)c1CSc1ncccc1C(=O)NCc1ccc(OC(F)F)cc1 ZINC000022765772 526528914 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COc1cccc(-c2nnc3c4cc(C)ccc4nc(N(C)Cc4ccccc4)n23)c1 ZINC000034699639 557398543 /nfs/dbraw/zinc/39/85/43/557398543.db2.gz OLMFLIDPYOXLCL-UHFFFAOYSA-N 0 0 409.493 4.898 50 0 HJAARN CC(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 ZINC000002848470 557403345 /nfs/dbraw/zinc/40/33/45/557403345.db2.gz XZUNGFLWROTJRV-UHFFFAOYSA-N 0 0 404.304 4.967 50 0 HJAARN CCc1cc(Br)cc(C)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 ZINC000002853235 557405736 /nfs/dbraw/zinc/40/57/36/557405736.db2.gz SCKJQRVCNPGWDT-MRXNPFEDSA-N 0 0 415.331 4.620 50 0 HJAARN COc1ccc(Cl)cc1C(=O)Nc1cc(C)c(I)cc1C ZINC000002857685 557408236 /nfs/dbraw/zinc/40/82/36/557408236.db2.gz OHEQHPAZUZIEMO-UHFFFAOYSA-N 0 0 415.658 4.822 50 0 HJAARN Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)N1CCC2(CC1)OCCO2 ZINC000002867525 557412778 /nfs/dbraw/zinc/41/27/78/557412778.db2.gz PGDZCJLKJHLRIA-UHFFFAOYSA-N 0 0 422.912 4.843 50 0 HJAARN CCCCOC(=O)c1ccc(NC(=O)CSc2nc3ccccc3s2)cc1 ZINC000002869968 557414372 /nfs/dbraw/zinc/41/43/72/557414372.db2.gz 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557425168 /nfs/dbraw/zinc/42/51/68/557425168.db2.gz QZNMZFAVLXGLBN-UHFFFAOYSA-N 0 0 418.440 4.946 50 0 HJAARN COc1ccccc1CCNC(=O)c1csc(-c2cccc(OCC(C)C)c2)n1 ZINC000034717467 557431596 /nfs/dbraw/zinc/43/15/96/557431596.db2.gz PSGFAGDPNPYAGF-UHFFFAOYSA-N 0 0 410.539 4.826 50 0 HJAARN COc1ccc(-n2c(=O)c3cnn(-c4ccccc4)c3nc2-c2ccc(C)cc2)cc1 ZINC000002970877 557432850 /nfs/dbraw/zinc/43/28/50/557432850.db2.gz XGJYMGFLZJCJHO-UHFFFAOYSA-N 0 0 408.461 4.555 50 0 HJAARN COc1ccc([C@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c2ccccc12 ZINC000002977790 557433849 /nfs/dbraw/zinc/43/38/49/557433849.db2.gz OJYAANKLXMPTHX-FQEVSTJZSA-N 0 0 402.479 4.925 50 0 HJAARN COc1cccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)cc4)ccc3o2)c1 ZINC000002978964 557434421 /nfs/dbraw/zinc/43/44/21/557434421.db2.gz MNPHHYZEQIBQGM-UHFFFAOYSA-N 0 0 417.490 4.939 50 0 HJAARN COc1ccccc1OCCOCCOc1ccc(Cl)cc1Br ZINC000002985604 557436698 /nfs/dbraw/zinc/43/66/98/557436698.db2.gz PJNNXIYLZIFVHS-UHFFFAOYSA-N 0 0 401.684 4.586 50 0 HJAARN 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/nfs/dbraw/zinc/70/93/42/558709342.db2.gz LIKWEVAALFQKLV-UHFFFAOYSA-N 0 0 416.974 4.937 50 0 HJAARN O=C(Nc1nnc(C2CCCCC2)s1)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000029090217 558709709 /nfs/dbraw/zinc/70/97/09/558709709.db2.gz IYVLOHDQYZLWTQ-UHFFFAOYSA-N 0 0 418.526 4.631 50 0 HJAARN C[C@H](C(=O)Nc1ccccc1OC(F)F)N(C)Cc1ccccc1N1CCCCC1 ZINC000029155367 558710882 /nfs/dbraw/zinc/71/08/82/558710882.db2.gz KZLWSCOVSGZYME-QGZVFWFLSA-N 0 0 417.500 4.737 50 0 HJAARN COc1cc(CCC(=O)N[C@@H](C)c2ccc(C(F)(F)F)cc2)cc(OC)c1OC ZINC000029240535 558712196 /nfs/dbraw/zinc/71/21/96/558712196.db2.gz WJMHXYDKMIAFLE-ZDUSSCGKSA-N 0 0 411.420 4.541 50 0 HJAARN Cc1cc(C(=O)N2CCC(C(=O)Nc3cccc(-c4cccc(Cl)c4)c3)CC2)[nH]n1 ZINC000015074073 558714664 /nfs/dbraw/zinc/71/46/64/558714664.db2.gz OWJJHIOWWYIPGK-UHFFFAOYSA-N 0 0 422.916 4.529 50 0 HJAARN O=C(NCc1ccc(Cl)s1)c1cc(COc2cccc(C(F)(F)F)c2)on1 ZINC000015073938 558714776 /nfs/dbraw/zinc/71/47/76/558714776.db2.gz YUQMODHNGZYICT-UHFFFAOYSA-N 0 0 416.808 4.917 50 0 HJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)C1 ZINC000029570325 558717120 /nfs/dbraw/zinc/71/71/20/558717120.db2.gz KXMOJGQYYDTLME-MRXNPFEDSA-N 0 0 422.456 4.563 50 0 HJAARN Cc1c(C(=O)Nc2ccccc2)sc2c1[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2 ZINC000015106590 558722941 /nfs/dbraw/zinc/72/29/41/558722941.db2.gz HEHDVUMKJDKXOG-OAHLLOKOSA-N 0 0 406.463 4.512 50 0 HJAARN Cc1ccc(CN2c3ccccc3[C@](O)(CC(=O)c3ccc(C)cc3C)C2=O)c(C)c1 ZINC000004556252 558725604 /nfs/dbraw/zinc/72/56/04/558725604.db2.gz MRCSPYSZWZSZBQ-HHHXNRCGSA-N 0 0 413.517 4.928 50 0 HJAARN Cc1ccccc1C(=O)N[C@H](C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1)C(C)C ZINC000030117232 558727182 /nfs/dbraw/zinc/72/71/82/558727182.db2.gz RJGZZCRQBHNQOL-KXBFYZLASA-N 0 0 406.448 4.646 50 0 HJAARN Clc1ccccc1-c1nnc(CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)o1 ZINC000015309974 558731602 /nfs/dbraw/zinc/73/16/02/558731602.db2.gz RKRXBGGJOGTQMD-GOSISDBHSA-N 0 0 411.889 4.888 50 0 HJAARN C[C@H](CCc1ccccc1)NC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000004563813 558733405 /nfs/dbraw/zinc/73/34/05/558733405.db2.gz XVKWHJNUWTUIRS-WGURPXDASA-N 0 0 424.544 4.661 50 0 HJAARN Cc1c(CCNC(=O)c2ccccc2F)sc2nc(-c3ccc(Cl)cc3)nn12 ZINC000004570251 558735096 /nfs/dbraw/zinc/73/50/96/558735096.db2.gz GVRPNUOSGZJCGX-UHFFFAOYSA-N 0 0 414.893 4.531 50 0 HJAARN CC(=O)Nc1cccc(NC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)c1 ZINC000015421454 558739501 /nfs/dbraw/zinc/73/95/01/558739501.db2.gz AXHDLRGNRGKVKM-UHFFFAOYSA-N 0 0 418.280 4.826 50 0 HJAARN Cc1noc2ncc(C(=O)Nc3ccc(OC(F)F)c(Cc4ccccc4)c3)cc12 ZINC000030948708 558746795 /nfs/dbraw/zinc/74/67/95/558746795.db2.gz MEUOBNPOGHOUFR-UHFFFAOYSA-N 0 0 409.392 4.976 50 0 HJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@H]1Cc3ccccc31)CC2 ZINC000072296559 558749551 /nfs/dbraw/zinc/74/95/51/558749551.db2.gz ZJKYVDDBQCZGTP-WMZHIEFXSA-N 0 0 405.519 4.579 50 0 HJAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)NCc1ccco1)[C@@H]3c1ccc(C)cc1 ZINC000015725556 558750581 /nfs/dbraw/zinc/75/05/81/558750581.db2.gz YBMKYFALQMFCSV-XMMPIXPASA-N 0 0 415.493 4.935 50 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/nfs/dbraw/zinc/75/84/04/558758404.db2.gz FJFMTXSTZZYOES-FQEVSTJZSA-N 0 0 402.494 4.672 50 0 HJAARN Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)N2CCC(C)CC2)o1 ZINC000015860519 558758451 /nfs/dbraw/zinc/75/84/51/558758451.db2.gz PCXQIKFYCIGNAO-FQEVSTJZSA-N 0 0 422.525 4.514 50 0 HJAARN CCS(=O)(=O)N1CCC(c2c(C)n(Cc3ccccc3C)c3ccccc32)CC1 ZINC000015863027 558758702 /nfs/dbraw/zinc/75/87/02/558758702.db2.gz AJPQXXZAFJICRF-UHFFFAOYSA-N 0 0 410.583 4.836 50 0 HJAARN COc1ccc(C(=O)Nc2ccc(OC)c(NC(=O)c3ccccc3C)c2)c(OC)c1 ZINC000032998356 558759315 /nfs/dbraw/zinc/75/93/15/558759315.db2.gz JOZRZQBRZDFULL-UHFFFAOYSA-N 0 0 420.465 4.525 50 0 HJAARN O=C(Cc1ccccc1Cl)N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000033274123 558763770 /nfs/dbraw/zinc/76/37/70/558763770.db2.gz XSEGULZFWILSKO-NRFANRHFSA-N 0 0 403.869 4.838 50 0 HJAARN Cc1ccc(C(=O)[C@@H]2C(C=Cc3ccccc3)=NO[C@]23C(=O)Nc2ccccc23)cc1 ZINC000015971886 558764701 /nfs/dbraw/zinc/76/47/01/558764701.db2.gz VJVMMTXDAXEZJD-IWQRJCBASA-N 0 0 408.457 4.741 50 0 HJAARN COCC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1cccc(C)c1)CCCC3 ZINC000033274909 558764853 /nfs/dbraw/zinc/76/48/53/558764853.db2.gz SPCLZEPZKNFIEK-QHCPKHFHSA-N 0 0 406.551 4.804 50 0 HJAARN CN1C[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000016033165 558769461 /nfs/dbraw/zinc/76/94/61/558769461.db2.gz ASQFCOLZFPITDH-WPWBMXPQSA-N 0 0 416.908 4.716 50 0 HJAARN NC(=O)c1ccccc1Oc1cccc(NC(=O)C2(c3cccc(Cl)c3)CC2)c1 ZINC000072309381 558773240 /nfs/dbraw/zinc/77/32/40/558773240.db2.gz AAVWEVKWWCJCCY-UHFFFAOYSA-N 0 0 406.869 4.902 50 0 HJAARN Cc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc(F)cc3)n3ccccc23)c(C)c1 ZINC000004585221 558775572 /nfs/dbraw/zinc/77/55/72/558775572.db2.gz CASURTSXXCGUEI-UHFFFAOYSA-N 0 0 401.441 4.761 50 0 HJAARN Cc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Br)o4)cc3n2)cc1 ZINC000001217981 558776366 /nfs/dbraw/zinc/77/63/66/558776366.db2.gz WOMATPVPNAAVMK-UHFFFAOYSA-N 0 0 411.259 4.645 50 0 HJAARN COc1ccccc1C(=O)N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl ZINC000016228392 558780082 /nfs/dbraw/zinc/78/00/82/558780082.db2.gz OYILRWISXMCEOW-FQEVSTJZSA-N 0 0 419.868 4.918 50 0 HJAARN Cc1cccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)n2-n2cccc2)c1 ZINC000004586086 558781589 /nfs/dbraw/zinc/78/15/89/558781589.db2.gz SYDBCMDEOKBTLC-UHFFFAOYSA-N 0 0 417.538 4.714 50 0 HJAARN Cn1ccnc1[C@@H](NC(=O)c1cc2cc(Cl)ccc2o1)c1ccc(Cl)cc1 ZINC000016262930 558781838 /nfs/dbraw/zinc/78/18/38/558781838.db2.gz BOMMRCYHJPLJRK-SFHVURJKSA-N 0 0 400.265 4.993 50 0 HJAARN CCc1cc(=O)n2nc(N[C@@H]3CCCC[C@@H]3c3ccc(C(F)(F)F)cc3)sc2n1 ZINC000072310219 558781901 /nfs/dbraw/zinc/78/19/01/558781901.db2.gz NRMIPQRDCKHRJQ-HZPDHXFCSA-N 0 0 422.476 4.871 50 0 HJAARN CCN(C[C@H]1CCN(C(=O)CCc2ccc(-c3ccccc3)o2)C1)CC(F)(F)F ZINC000072311398 558784035 /nfs/dbraw/zinc/78/40/35/558784035.db2.gz QLLSEGIXLRNQTN-QGZVFWFLSA-N 0 0 408.464 4.612 50 0 HJAARN COc1ccc(Sc2ccccc2C(=O)CN2CCN(c3ccccc3)CC2)cc1 ZINC000034847789 558784658 /nfs/dbraw/zinc/78/46/58/558784658.db2.gz YOHSHSOHEXEEJH-UHFFFAOYSA-N 0 0 418.562 4.851 50 0 HJAARN COc1ccc([C@H]2CCCN2Cc2nc(-c3cccc(Br)c3)no2)cc1 ZINC000016339318 558786943 /nfs/dbraw/zinc/78/69/43/558786943.db2.gz YXKRMPYKUWYCRK-GOSISDBHSA-N 0 0 414.303 4.845 50 0 HJAARN CCS(=O)(=O)N1CC=C(c2c(C)n(Cc3ccccc3C)c3ccccc32)CC1 ZINC000035406074 558791094 /nfs/dbraw/zinc/79/10/94/558791094.db2.gz GBJPLNVCBZEQID-UHFFFAOYSA-N 0 0 408.567 4.745 50 0 HJAARN COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccc(Cl)cc3)no2)cc1OC ZINC000035476314 558792480 /nfs/dbraw/zinc/79/24/80/558792480.db2.gz RMUPIMOMGICJFM-SFHVURJKSA-N 0 0 412.873 4.990 50 0 HJAARN CC[C@H](C)N(Cc1ccc(OS(C)(=O)=O)cc1)C(=O)c1cccc2ccccc21 ZINC000035776452 558795140 /nfs/dbraw/zinc/79/51/40/558795140.db2.gz IJXMMVHTFUDNBM-KRWDZBQOSA-N 0 0 411.523 4.619 50 0 HJAARN O=C(CN1CCN(c2ccc(F)cc2)CC1)N1c2ccccc2Sc2ccccc21 ZINC000035828010 558795497 /nfs/dbraw/zinc/79/54/97/558795497.db2.gz BXFVGWBVNXUZST-UHFFFAOYSA-N 0 0 419.525 4.777 50 0 HJAARN CCc1nn(-c2ccccc2)c(N(C)C)c1CN(CC(C)C)C(=O)c1ccccc1 ZINC000035973335 558796237 /nfs/dbraw/zinc/79/62/37/558796237.db2.gz FFDZWSUCBUWMBI-UHFFFAOYSA-N 0 0 404.558 4.799 50 0 HJAARN COc1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000036247473 558798650 /nfs/dbraw/zinc/79/86/50/558798650.db2.gz QHFVFIRJLPJJEG-UHFFFAOYSA-N 0 0 417.914 4.753 50 0 HJAARN CCOc1ccccc1CN(C)[C@H](c1nnnn1-c1ccccc1C)c1ccccc1 ZINC000016677726 558798979 /nfs/dbraw/zinc/79/89/79/558798979.db2.gz WJLBBVKRUNXXEE-DEOSSOPVSA-N 0 0 413.525 4.591 50 0 HJAARN CCCCCCC(=O)N1CCN(c2cc(Oc3ccc(F)cc3C)ncn2)C[C@@H]1C ZINC000037356498 558804350 /nfs/dbraw/zinc/80/43/50/558804350.db2.gz XQWLXQZUCKXHTJ-SFHVURJKSA-N 0 0 414.525 4.724 50 0 HJAARN O=C(NCCc1ccccc1)c1ccc2c(c1)NC(=O)/C(=C/c1ccc(Cl)cc1)O2 ZINC000032983524 558804590 /nfs/dbraw/zinc/80/45/90/558804590.db2.gz RZVAZLYUQPFAKV-HMAPJEAMSA-N 0 0 418.880 4.685 50 0 HJAARN CCSc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2)s1 ZINC000016752587 558805138 /nfs/dbraw/zinc/80/51/38/558805138.db2.gz YCWIKSIDHSEHMK-INIZCTEOSA-N 0 0 421.503 4.506 50 0 HJAARN C[C@H](Cc1ccco1)NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(Cl)cc1)O2 ZINC000032983580 558805200 /nfs/dbraw/zinc/80/52/00/558805200.db2.gz OJTQUCULXVUFEH-STCDJXRXSA-N 0 0 422.868 4.666 50 0 HJAARN COc1ccc(CN2[C@@H](c3ccc(Cl)cc3)Nc3ccccc3S2(=O)=O)cc1 ZINC000032986919 558806923 /nfs/dbraw/zinc/80/69/23/558806923.db2.gz OYCYFVBGWSKQRN-NRFANRHFSA-N 0 0 414.914 4.664 50 0 HJAARN COc1cc(-c2nnc(C3(c4ccc(F)cc4)CCOCC3)o2)ccc1OC(C)C ZINC000071889730 558808020 /nfs/dbraw/zinc/80/80/20/558808020.db2.gz JPYJJLBCXMKUDX-UHFFFAOYSA-N 0 0 412.461 4.768 50 0 HJAARN O=C(CSc1nccn2nc(-c3cccc4ccccc43)cc12)NCc1ccccc1 ZINC000016840674 558808074 /nfs/dbraw/zinc/80/80/74/558808074.db2.gz STRIDPVARNVZGA-UHFFFAOYSA-N 0 0 424.529 4.958 50 0 HJAARN O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCC[C@H]2c2cccs2)C1 ZINC000032988698 558808258 /nfs/dbraw/zinc/80/82/58/558808258.db2.gz CVIGMCQVVALQMI-WMZOPIPTSA-N 0 0 402.947 4.617 50 0 HJAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cc(F)ccc3C)C2)c2ccccc12 ZINC000016884334 558808732 /nfs/dbraw/zinc/80/87/32/558808732.db2.gz MYFNTBKBGJWYRC-KRWDZBQOSA-N 0 0 420.484 4.787 50 0 HJAARN Cc1noc(C)c1COc1ccc(C(=O)Oc2ccc(F)cc2Br)cc1 ZINC000032994662 558808838 /nfs/dbraw/zinc/80/88/38/558808838.db2.gz JMTTYYPZGIVBSE-UHFFFAOYSA-N 0 0 420.234 4.991 50 0 HJAARN CN(c1ccc(OC(=O)c2c(F)cccc2Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000032991097 558809106 /nfs/dbraw/zinc/80/91/06/558809106.db2.gz KAOIGNLSZJOURZ-UHFFFAOYSA-N 0 0 419.861 4.523 50 0 HJAARN COc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4Cl)nccn3n2)cc1 ZINC000016954732 558809975 /nfs/dbraw/zinc/80/99/75/558809975.db2.gz FFUUNTXFRBAWRB-UHFFFAOYSA-N 0 0 424.913 4.789 50 0 HJAARN C[C@@H](OC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1nnc(-c2cccs2)o1 ZINC000022977267 558810532 /nfs/dbraw/zinc/81/05/32/558810532.db2.gz RNMVPIWYNVFSDF-GFCCVEGCSA-N 0 0 424.457 4.530 50 0 HJAARN Cc1ccc(Nc2nc(NC[C@@H]3CCCO3)nc3c2cnn3-c2ccccc2)cc1C ZINC000017052948 558813217 /nfs/dbraw/zinc/81/32/17/558813217.db2.gz GJNHLFMNMMZHCI-FQEVSTJZSA-N 0 0 414.513 4.767 50 0 HJAARN COc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)c(C)c4)nccn3n2)cc1 ZINC000017052774 558813242 /nfs/dbraw/zinc/81/32/42/558813242.db2.gz QAJRYDHUXQUDLS-UHFFFAOYSA-N 0 0 418.522 4.753 50 0 HJAARN CC(C)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 ZINC000017083259 558815704 /nfs/dbraw/zinc/81/57/04/558815704.db2.gz RKPGEYOMUMPMKY-UHFFFAOYSA-N 0 0 405.589 4.696 50 0 HJAARN CCOC(=O)c1ccc(NC(=O)Nc2c(C)nn(Cc3ccccc3F)c2C)cc1 ZINC000017088465 558817334 /nfs/dbraw/zinc/81/73/34/558817334.db2.gz VFWRVUXFEGTKOW-UHFFFAOYSA-N 0 0 410.449 4.508 50 0 HJAARN CCOC(=O)CCn1nc(-c2ccc(OC)cc2)c(Cl)c1-c1ccc(OC)cc1 ZINC000017090152 558818776 /nfs/dbraw/zinc/81/87/76/558818776.db2.gz MRAFPIPYUGYIHW-UHFFFAOYSA-N 0 0 414.889 4.841 50 0 HJAARN Cc1[nH]nc2c1[C@H](c1ccccc1)c1c3nc(-c4ccccc4Cl)nn3cnc1O2 ZINC000017090131 558818793 /nfs/dbraw/zinc/81/87/93/558818793.db2.gz JFMYGKRTCNBCQT-KRWDZBQOSA-N 0 0 414.856 4.762 50 0 HJAARN C[C@H]1CCc2c(sc(NC(=O)c3cccc(OCc4ccccc4)c3)c2C(N)=O)C1 ZINC000017092362 558820807 /nfs/dbraw/zinc/82/08/07/558820807.db2.gz FKKKHYQSOJZNSQ-HNNXBMFYSA-N 0 0 420.534 4.803 50 0 HJAARN O=C(Nc1nnc(COc2ccc(Br)cc2)s1)Nc1ccccc1F ZINC000017138216 558823778 /nfs/dbraw/zinc/82/37/78/558823778.db2.gz PZRCOWYWZSKFJF-UHFFFAOYSA-N 0 0 423.267 4.663 50 0 HJAARN COC(=O)C1=C(C(=O)OC)[C@H](c2ccccc2)N(c2ccccc2)[C@@H]1c1ccccc1 ZINC000017185825 558825170 /nfs/dbraw/zinc/82/51/70/558825170.db2.gz POQQDNGGYUNLCD-PSWAGMNNSA-N 0 0 413.473 4.632 50 0 HJAARN CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1 ZINC000040899447 558825468 /nfs/dbraw/zinc/82/54/68/558825468.db2.gz BPQMGSKTAYIVFO-UHFFFAOYSA-N 0 0 421.305 4.711 50 0 fda HJAARN CCC(=O)Nc1nc2c(cc(NC(=O)Nc3cccc(Cl)c3)cc2OC)s1 ZINC000033008411 558828092 /nfs/dbraw/zinc/82/80/92/558828092.db2.gz XYQOUZWNJIOBGQ-UHFFFAOYSA-N 0 0 404.879 4.951 50 0 HJAARN O=C(NCc1ccccc1)Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1 ZINC000033008245 558828951 /nfs/dbraw/zinc/82/89/51/558828951.db2.gz JCSKNXFWFVRUOS-UHFFFAOYSA-N 0 0 402.479 4.870 50 0 HJAARN O=C(CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)NCCC1=CCCCC1 ZINC000033325971 558829023 /nfs/dbraw/zinc/82/90/23/558829023.db2.gz YCBLZVBBTLPYSD-IBGZPJMESA-N 0 0 411.571 4.747 50 0 HJAARN COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C ZINC000000654548 558829808 /nfs/dbraw/zinc/82/98/08/558829808.db2.gz KTNWIECYADWGSB-CXUHLZMHSA-N 0 0 419.308 4.703 50 0 HJAARN Cc1sc(-c2ccco2)nc1C(=O)Nc1ccc(Sc2nncs2)cc1 ZINC000071940271 558830383 /nfs/dbraw/zinc/83/03/83/558830383.db2.gz KTAXNDBHSLNRNL-UHFFFAOYSA-N 0 0 400.510 4.967 50 0 HJAARN CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1 ZINC000071934815 558830511 /nfs/dbraw/zinc/83/05/11/558830511.db2.gz WJEDPFSNGRUMAW-JOCHJYFZSA-N 0 0 411.590 4.575 50 0 HJAARN c1ccc2cc(Oc3nc(CN4CCOCC4)nc4sc5c(c43)CCC5)ccc2c1 ZINC000033012212 558832035 /nfs/dbraw/zinc/83/20/35/558832035.db2.gz QRFOWNJYJWRMSV-UHFFFAOYSA-N 0 0 417.534 4.958 50 0 HJAARN COc1ccc(-c2noc(-c3cccc(OCC(=O)Nc4ccc(C)cc4)c3)n2)cc1 ZINC000033012388 558832326 /nfs/dbraw/zinc/83/23/26/558832326.db2.gz TWYHFIFSUKNKCI-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN Cc1ccc(-c2noc(COc3ccccc3C(=O)NCCc3ccccc3)n2)cc1 ZINC000033012910 558832824 /nfs/dbraw/zinc/83/28/24/558832824.db2.gz DIZROGFOIYAFJR-UHFFFAOYSA-N 0 0 413.477 4.597 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(c2c(Cl)cncc2Cl)CC1 ZINC000018192479 558833089 /nfs/dbraw/zinc/83/30/89/558833089.db2.gz SCONTLLRJDLCMW-UHFFFAOYSA-N 0 0 419.234 4.761 50 0 HJAARN COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(OC)cc2)cc1 ZINC000004600121 558835197 /nfs/dbraw/zinc/83/51/97/558835197.db2.gz BZVBZNXQUHOBFX-LCUIJRPUSA-N 0 0 400.434 4.935 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c(C(F)(F)F)c1 ZINC000010641141 558836240 /nfs/dbraw/zinc/83/62/40/558836240.db2.gz WSMWQYICOQJXEL-UHFFFAOYSA-N 0 0 406.282 4.815 50 0 HJAARN COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccccc1F ZINC000046006546 558838895 /nfs/dbraw/zinc/83/88/95/558838895.db2.gz OOZMSZSDEBBAMG-UHFFFAOYSA-N 0 0 418.472 4.756 50 0 HJAARN Cn1c2cc(NC(=O)Nc3ccc(F)cc3F)c(Oc3ccccc3)cc2n(C)c1=O ZINC000046009448 558839007 /nfs/dbraw/zinc/83/90/07/558839007.db2.gz HRHFPIADXQWDLG-UHFFFAOYSA-N 0 0 424.407 4.592 50 0 HJAARN Cc1sc(-c2nc(-c3ccc(Cl)cc3)no2)cc1S(=O)(=O)NC1CCCC1 ZINC000046141312 558840065 /nfs/dbraw/zinc/84/00/65/558840065.db2.gz JFAWNLGMPFQJCV-UHFFFAOYSA-N 0 0 423.947 4.648 50 0 HJAARN Fc1ccc(F)c(-c2nnc3sc(-c4cc(-c5ccc(Cl)cc5)[nH]n4)nn32)c1 ZINC000013571309 558844673 /nfs/dbraw/zinc/84/46/73/558844673.db2.gz GFNLYKYXIQNQSP-UHFFFAOYSA-N 0 0 414.828 4.842 50 0 HJAARN CCn1cc(C(=O)CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)c2ccccc21 ZINC000048513875 558845616 /nfs/dbraw/zinc/84/56/16/558845616.db2.gz ZFAXHZQQMISICT-UHFFFAOYSA-N 0 0 423.563 4.813 50 0 HJAARN Cc1ccc(NC(=O)NCCCn2c3ncccc3nc2C(F)(F)F)cc1Cl ZINC000033025582 558846298 /nfs/dbraw/zinc/84/62/98/558846298.db2.gz JIKOSOLRAJUCFZ-UHFFFAOYSA-N 0 0 411.815 4.624 50 0 HJAARN O=c1nc(N2CCN(c3ccccc3)CC2)[nH]c2c(-c3cccc(Cl)c3)csc21 ZINC000048988965 558847482 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/nfs/dbraw/zinc/86/84/11/558868411.db2.gz YSPYDGIYQLZGDA-UHFFFAOYSA-N 0 0 400.866 4.943 50 0 HJAARN COc1ccc(C)cc1-n1ccnc(S[C@H](C)C(=O)c2ccc(C)c(C)c2)c1=O ZINC000033039886 558869047 /nfs/dbraw/zinc/86/90/47/558869047.db2.gz IXGYKPJDMRETLU-QGZVFWFLSA-N 0 0 408.523 4.530 50 0 HJAARN CCC[C@H](NC(=O)CCc1nnc(Cc2c[nH]c3ccccc23)o1)c1ccccc1 ZINC000019334784 558869338 /nfs/dbraw/zinc/86/93/38/558869338.db2.gz KMWZEBNMZYMGFI-FQEVSTJZSA-N 0 0 402.498 4.732 50 0 HJAARN CCCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004651340 558869516 /nfs/dbraw/zinc/86/95/16/558869516.db2.gz LHRIRBPTWVRUBN-UHFFFAOYSA-N 0 0 419.543 4.565 50 0 HJAARN FC(F)(F)c1cccc(NC(=S)N2CCn3cccc3[C@H]2c2cccnc2)c1 ZINC000004659436 558872824 /nfs/dbraw/zinc/87/28/24/558872824.db2.gz SVZGDFFHVFMCTJ-GOSISDBHSA-N 0 0 402.445 4.704 50 0 HJAARN CC(=O)Nc1ccc(-c2cc(C(=O)NCCCOC(C)C)c3cc(C)ccc3n2)cc1 ZINC000033106379 558874011 /nfs/dbraw/zinc/87/40/11/558874011.db2.gz CBSHMVHCCZIHIZ-UHFFFAOYSA-N 0 0 419.525 4.714 50 0 HJAARN CCCOc1c2cc(NC(=O)Cc3ccc(OC)cc3)ccc2sc1C(=O)OC ZINC000033123457 558879853 /nfs/dbraw/zinc/87/98/53/558879853.db2.gz MXMCURRSPLXBOM-UHFFFAOYSA-N 0 0 413.495 4.667 50 0 HJAARN CCc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCc2ccccc21 ZINC000033127975 558881429 /nfs/dbraw/zinc/88/14/29/558881429.db2.gz OYECZFPSRRGHHV-QHCPKHFHSA-N 0 0 413.521 4.571 50 0 HJAARN Cc1cc(C)cc(NC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCc3ccccc32)c1 ZINC000033127950 558881432 /nfs/dbraw/zinc/88/14/32/558881432.db2.gz BVYCETLAIDBWQN-HSZRJFAPSA-N 0 0 413.521 4.626 50 0 HJAARN Cc1ccc(NC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)c(C)c1 ZINC000033128094 558881623 /nfs/dbraw/zinc/88/16/23/558881623.db2.gz ZGCDLEVOIBXAHH-GOSISDBHSA-N 0 0 407.539 4.585 50 0 HJAARN Cc1ccc(NC(=O)CSc2ccc(=O)n(-c3ccc(C(C)C)cc3)n2)c(C)c1 ZINC000033128432 558882234 /nfs/dbraw/zinc/88/22/34/558882234.db2.gz UKOPQSHFWHVDFO-UHFFFAOYSA-N 0 0 407.539 4.704 50 0 HJAARN COc1ccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(C)cc2)CC3)cc1 ZINC000033128665 558882481 /nfs/dbraw/zinc/88/24/81/558882481.db2.gz CVHREMRUMODYNT-UHFFFAOYSA-N 0 0 401.466 4.851 50 0 HJAARN CC(C)c1ccc(-n2c(=O)c(C(=O)Nc3cccc(F)c3)cc3c2CCCC3=O)cc1 ZINC000033126787 558884360 /nfs/dbraw/zinc/88/43/60/558884360.db2.gz LCAOXNCAAKVDTL-UHFFFAOYSA-N 0 0 418.468 4.871 50 0 HJAARN C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=S)N(Cc1ccccc1F)C1CCCCC1 ZINC000004672626 558884588 /nfs/dbraw/zinc/88/45/88/558884588.db2.gz WZQXILRUTWHPPN-UTKZUKDTSA-N 0 0 419.610 4.530 50 0 HJAARN CCOc1ccc([C@@H]2CC(c3c(C)cc(C)[nH]c3=O)=NN2c2ccccc2F)cc1 ZINC000004626023 558890193 /nfs/dbraw/zinc/89/01/93/558890193.db2.gz NDJYLCZZDJHMCF-QFIPXVFZSA-N 0 0 405.473 4.885 50 0 HJAARN COc1ccc(S(=O)(=O)Nc2cccc(-c3cn4cccc(C)c4n3)c2)c(C)c1C ZINC000004626086 558890199 /nfs/dbraw/zinc/89/01/99/558890199.db2.gz OOSUUJAXHZINAQ-UHFFFAOYSA-N 0 0 421.522 4.736 50 0 HJAARN COc1cc(OC)c(C2=CCN([C@@H](C)C(=O)c3c[nH]c4ccccc43)CC2)c(OC)c1 ZINC000057970456 558892248 /nfs/dbraw/zinc/89/22/48/558892248.db2.gz ZISDJACZCDFFGD-INIZCTEOSA-N 0 0 420.509 4.554 50 0 HJAARN Cc1nc(CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)cs1 ZINC000058008402 558894868 /nfs/dbraw/zinc/89/48/68/558894868.db2.gz PQXLXDDMVBJDTI-UHFFFAOYSA-N 0 0 402.523 4.885 50 0 HJAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc(CS(=O)(=O)Cc3ccc(Cl)cc3)o2)[C@@H]1C ZINC000004685979 558895255 /nfs/dbraw/zinc/89/52/55/558895255.db2.gz DSZWODGZVXWMGJ-SPYBWZPUSA-N 0 0 423.962 4.603 50 0 HJAARN CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000058014248 558895286 /nfs/dbraw/zinc/89/52/86/558895286.db2.gz PWSXXFWOKAKSBG-LJQANCHMSA-N 0 0 403.958 4.763 50 0 HJAARN O=C1[C@H](Oc2ccc(Cl)cc2)[C@@H](c2cccs2)N1Cc1ccc2c(c1)OCO2 ZINC000004686753 558895625 /nfs/dbraw/zinc/89/56/25/558895625.db2.gz NSQOITFIJWAZQN-WOJBJXKFSA-N 0 0 413.882 4.661 50 0 HJAARN CC(=O)c1sc(NC(=O)c2cccnc2N2CCCCC2)nc1-c1ccccc1 ZINC000058031130 558896564 /nfs/dbraw/zinc/89/65/64/558896564.db2.gz CZJKDJKWHMAPAC-UHFFFAOYSA-N 0 0 406.511 4.650 50 0 HJAARN O=C(Nc1ccc(F)cc1)C1CCN(c2nccnc2Sc2ccccc2)CC1 ZINC000033168627 558897900 /nfs/dbraw/zinc/89/79/00/558897900.db2.gz QTRRFUKEWUSBPG-UHFFFAOYSA-N 0 0 408.502 4.622 50 0 HJAARN Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1cc2ccccc2n1Cc1ccccc1 ZINC000058084916 558898236 /nfs/dbraw/zinc/89/82/36/558898236.db2.gz DUOINDUAQXKXEC-UHFFFAOYSA-N 0 0 418.518 4.654 50 0 HJAARN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCC3(c4ccccc4)CC3)c12 ZINC000058102562 558899142 /nfs/dbraw/zinc/89/91/42/558899142.db2.gz HJMGBXBCWOQVRN-UHFFFAOYSA-N 0 0 402.542 4.834 50 0 HJAARN O=C(CSc1ncnc2c3ccccc3[nH]c21)Nc1ccc(Br)cc1 ZINC000033172446 558900939 /nfs/dbraw/zinc/90/09/39/558900939.db2.gz QJWHPHJEVMCYOZ-UHFFFAOYSA-N 0 0 413.300 4.604 50 0 HJAARN Cc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NC1CCCCCC1 ZINC000033173351 558901426 /nfs/dbraw/zinc/90/14/26/558901426.db2.gz GUZDHMHAUAIZAY-UHFFFAOYSA-N 0 0 402.438 4.670 50 0 HJAARN Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000033173882 558902177 /nfs/dbraw/zinc/90/21/77/558902177.db2.gz MVYHCVLMAWQLQQ-UHFFFAOYSA-N 0 0 401.435 4.575 50 0 HJAARN Cc1ccc(NC(=O)[C@@H]2CCCN(c3ncnc4c5ccccc5oc43)C2)cc1C ZINC000033169569 558902947 /nfs/dbraw/zinc/90/29/47/558902947.db2.gz AVRLEJXBRIYORF-QGZVFWFLSA-N 0 0 400.482 4.848 50 0 HJAARN Cc1oc(-c2ccc(C)cc2)nc1Cn1nnc(-c2nc(-c3cccs3)no2)c1C ZINC000033170792 558903975 /nfs/dbraw/zinc/90/39/75/558903975.db2.gz GNWBOAPKHIFDHW-UHFFFAOYSA-N 0 0 418.482 4.685 50 0 HJAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccc(OC)c(F)c2)cc1 ZINC000058171447 558908168 /nfs/dbraw/zinc/90/81/68/558908168.db2.gz PGPMEZUQIKYTHU-UHFFFAOYSA-N 0 0 422.481 4.834 50 0 HJAARN O=C(c1cnc(Nc2ccccc2)nc1)N1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071738817 558908484 /nfs/dbraw/zinc/90/84/84/558908484.db2.gz BPTPYUTYBUPFFW-LJQANCHMSA-N 0 0 404.489 4.844 50 0 HJAARN CC(C)C[C@H](NC(=O)CCS(=O)(=O)C1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000058217428 558912562 /nfs/dbraw/zinc/91/25/62/558912562.db2.gz LZYLGZPNHVYKHL-SFHVURJKSA-N 0 0 419.509 4.656 50 0 HJAARN CCN(c1ccc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1)C(C)C ZINC000058218846 558913009 /nfs/dbraw/zinc/91/30/09/558913009.db2.gz XASULSYQZMHYJC-UHFFFAOYSA-N 0 0 419.569 4.618 50 0 HJAARN CC(C)(C)c1ccc(C(=O)N[C@H](NCc2ccco2)C(Cl)(Cl)Cl)cc1 ZINC000019535189 558913522 /nfs/dbraw/zinc/91/35/22/558913522.db2.gz XVRVKWGIJKLMMH-INIZCTEOSA-N 0 0 403.737 4.793 50 0 HJAARN CCC(CC)(NC(=O)CS[C@H](C)C(=O)Nc1cc(C)on1)c1ccc(Cl)cc1 ZINC000058250626 558915141 /nfs/dbraw/zinc/91/51/41/558915141.db2.gz RFUXXKWSKRKYGT-CQSZACIVSA-N 0 0 423.966 4.528 50 0 HJAARN Cc1nc(NC(=O)CN(CC(C)C)C(=O)c2ccc(C(C)(C)C)cc2)sc1C ZINC000004717383 558915901 /nfs/dbraw/zinc/91/59/01/558915901.db2.gz MBYFXMUULZIFPR-UHFFFAOYSA-N 0 0 401.576 4.794 50 0 HJAARN CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)c1cc(-c2ccco2)n[nH]1 ZINC000058297743 558917396 /nfs/dbraw/zinc/91/73/96/558917396.db2.gz JBUZIVVUNSCSIU-UHFFFAOYSA-N 0 0 421.476 4.684 50 0 HJAARN FC(F)(F)Cn1ccnc1COc1c(Br)cccc1Br ZINC000058305091 558917961 /nfs/dbraw/zinc/91/79/61/558917961.db2.gz JEAKNNCYBSENGY-UHFFFAOYSA-N 0 0 414.019 4.549 50 0 HJAARN O=C(/C=C(\c1ccccc1)C(F)(F)F)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000058306516 558918217 /nfs/dbraw/zinc/91/82/17/558918217.db2.gz ICIBDLFXFLWAOE-DTQAZKPQSA-N 0 0 410.823 4.761 50 0 HJAARN CCOc1ccc(/C=C2/SC(=O)N(CNc3ccc(OC)c(Cl)c3)C2=O)cc1 ZINC000004714375 558918233 /nfs/dbraw/zinc/91/82/33/558918233.db2.gz HVHUOUKOBYBAOH-VCHYOVAHSA-N 0 0 418.902 4.853 50 0 HJAARN CC(C)(C)c1cnnn1-c1ccc(C(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004718950 558918613 /nfs/dbraw/zinc/91/86/13/558918613.db2.gz ZFIFYUMCYPHODB-UHFFFAOYSA-N 0 0 421.541 4.507 50 0 HJAARN Cc1csc(CNC(=O)Nc2ccc(Oc3cccc(Br)c3)nc2)n1 ZINC000058313761 558919051 /nfs/dbraw/zinc/91/90/51/558919051.db2.gz BNQGABAOJOPIOR-UHFFFAOYSA-N 0 0 419.304 4.723 50 0 HJAARN CCCN(C(=O)CCc1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000058325125 558919502 /nfs/dbraw/zinc/91/95/02/558919502.db2.gz ZXHVUMLFAIDYEO-UHFFFAOYSA-N 0 0 412.961 4.816 50 0 HJAARN O=C(CCS(=O)(=O)C1CCCC1)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000058329649 558919945 /nfs/dbraw/zinc/91/99/45/558919945.db2.gz ZRKGRURVRSGTNK-GOSISDBHSA-N 0 0 417.493 4.507 50 0 HJAARN Cc1ccsc1CCNC(=O)c1ccccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000033252447 558920808 /nfs/dbraw/zinc/92/08/08/558920808.db2.gz OVLRXHLOFYZTTF-UHFFFAOYSA-N 0 0 407.470 4.885 50 0 HJAARN O=C(Nc1ccccc1O)c1cccnc1Oc1ccc(F)cc1Br ZINC000058370110 558922555 /nfs/dbraw/zinc/92/25/55/558922555.db2.gz UTGHHKIQWJPQBS-UHFFFAOYSA-N 0 0 403.207 4.733 50 0 HJAARN Cc1ccccc1C(=O)n1nc(NCc2cccs2)nc1NCc1cccs1 ZINC000004723830 558922692 /nfs/dbraw/zinc/92/26/92/558922692.db2.gz KFQNQQHWUXVMTF-UHFFFAOYSA-N 0 0 409.540 4.622 50 0 HJAARN O=C1C[C@H](c2nc(-c3ccc(N4CCCCC4)cc3)no2)CN1c1cccc(Cl)c1 ZINC000033255344 558923330 /nfs/dbraw/zinc/92/33/30/558923330.db2.gz IWQLXWNKEZRJCC-KRWDZBQOSA-N 0 0 422.916 4.901 50 0 HJAARN Cc1ccc(-c2noc(-c3cn(C)c4cc(N5CCCCC5)c(F)cc4c3=O)n2)cc1 ZINC000033255926 558923770 /nfs/dbraw/zinc/92/37/70/558923770.db2.gz AGACZHLNJBAAQE-UHFFFAOYSA-N 0 0 418.472 4.693 50 0 HJAARN CCc1cc(Sc2ccccc2NC(=O)c2cccc(C)c2)n2nc(C)nc2n1 ZINC000033257086 558924063 /nfs/dbraw/zinc/92/40/63/558924063.db2.gz YYPHKPSSKJCKQP-UHFFFAOYSA-N 0 0 403.511 4.707 50 0 HJAARN CC(C)CNC(=O)Nc1cccc(-c2noc(-c3cccc(Br)c3)n2)c1 ZINC000033257571 558924429 /nfs/dbraw/zinc/92/44/29/558924429.db2.gz DMTPCMBAWVRXPG-UHFFFAOYSA-N 0 0 415.291 4.944 50 0 HJAARN Cc1nc(-c2ccc(-n3cc(C(=O)Nc4ccc(C)cc4Cl)c(C)n3)cc2)no1 ZINC000033258482 558925170 /nfs/dbraw/zinc/92/51/70/558925170.db2.gz XWLHDMFXYIAALC-UHFFFAOYSA-N 0 0 407.861 4.753 50 0 HJAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2ccn(-c3ccc(OC)cc3)n2)cc1 ZINC000058417708 558925435 /nfs/dbraw/zinc/92/54/35/558925435.db2.gz HUCQIZMLDSCNHD-QHCPKHFHSA-N 0 0 405.498 4.647 50 0 HJAARN Cc1nc(-c2ccccc2)c(NC(=O)COc2ccc(Br)cc2)s1 ZINC000058440272 558927330 /nfs/dbraw/zinc/92/73/30/558927330.db2.gz VOGVQPNHGBTGFT-UHFFFAOYSA-N 0 0 403.301 4.899 50 0 HJAARN COc1ccccc1N1CCN([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000058447252 558927737 /nfs/dbraw/zinc/92/77/37/558927737.db2.gz CIXYVUJNRJDNJF-HXUWFJFHSA-N 0 0 415.537 4.511 50 0 HJAARN Cc1cc(Sc2ccccc2NC(=O)Nc2cccc(Cl)c2)n2ncnc2n1 ZINC000033261480 558930892 /nfs/dbraw/zinc/93/08/92/558930892.db2.gz UKFUCSDWNRYCQS-UHFFFAOYSA-N 0 0 410.890 4.881 50 0 HJAARN Cc1ccc(-c2noc(CSc3ccc(-c4ccc5c(c4)OCO5)nn3)n2)cc1 ZINC000033262457 558931229 /nfs/dbraw/zinc/93/12/29/558931229.db2.gz JYNBECCAOOCQNE-UHFFFAOYSA-N 0 0 404.451 4.523 50 0 HJAARN Cc1ccc(-c2ccc(SCc3nc(-c4ccc5c(c4)OCO5)no3)nn2)cc1 ZINC000033262442 558931253 /nfs/dbraw/zinc/93/12/53/558931253.db2.gz RQXVOWSXDJSCIN-UHFFFAOYSA-N 0 0 404.451 4.523 50 0 HJAARN Cc1ccc(CN2c3ccc(Cl)cc3[C@](O)(CC(=O)c3ccc(F)cc3)C2=O)cc1 ZINC000059272745 558933359 /nfs/dbraw/zinc/93/33/59/558933359.db2.gz IKKMDRFKSIVTSJ-XMMPIXPASA-N 0 0 423.871 4.795 50 0 HJAARN CC(C)(C)[C@@H](NC(=O)Cc1cc2c(cc1Br)OCCO2)c1cccs1 ZINC000059280274 558933373 /nfs/dbraw/zinc/93/33/73/558933373.db2.gz KUAQFQTWOWFNEG-SFHVURJKSA-N 0 0 424.360 4.728 50 0 HJAARN CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 ZINC000059307885 558933838 /nfs/dbraw/zinc/93/38/38/558933838.db2.gz LZNNOBWSHCXVFB-UHFFFAOYSA-N 0 0 418.534 4.641 50 0 HJAARN COc1ccc(-c2n[nH]cc2C=C2SC(=O)N=C2Nc2cccc(OC)c2)cc1 ZINC000072401338 558936004 /nfs/dbraw/zinc/93/60/04/558936004.db2.gz WDQYLGXUPLGHBT-ZDLGFXPLSA-N 0 0 406.467 4.812 50 0 HJAARN O=C(NCc1ccc(Cn2ccccc2=O)cc1)c1ccccc1CCc1ccccc1 ZINC000060018433 558940296 /nfs/dbraw/zinc/94/02/96/558940296.db2.gz HHZZDCVVWALXIS-UHFFFAOYSA-N 0 0 422.528 4.612 50 0 HJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1cc(F)c(N(C)C)c(F)c1 ZINC000060016796 558940308 /nfs/dbraw/zinc/94/03/08/558940308.db2.gz WFRZNBBPFABBJN-UHFFFAOYSA-N 0 0 418.875 4.798 50 0 HJAARN Cc1cccc(C)c1NC(=O)[C@@H](C)n1cnc2onc(-c3ccc(Cl)cc3)c2c1=O ZINC000033057687 558942550 /nfs/dbraw/zinc/94/25/50/558942550.db2.gz SSXJMADQZPSDEU-CQSZACIVSA-N 0 0 422.872 4.521 50 0 HJAARN Cc1ccc(-c2nn([C@H](C)C(=O)Nc3c(C)cccc3C)c(=O)c3c2CCCC3)cc1 ZINC000021783789 558949283 /nfs/dbraw/zinc/94/92/83/558949283.db2.gz FJTGUOHOTLUBHE-LJQANCHMSA-N 0 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558968262 /nfs/dbraw/zinc/96/82/62/558968262.db2.gz JLIBPBLQARNUQQ-FQEVSTJZSA-N 0 0 406.935 4.604 50 0 HJAARN O=c1cc(CN(Cc2ccccc2)Cc2ccccc2)nc2sc3c(n21)CCCC3 ZINC000033068895 558970693 /nfs/dbraw/zinc/97/06/93/558970693.db2.gz JRCQXSBELSCKMM-UHFFFAOYSA-N 0 0 415.562 4.837 50 0 HJAARN CCOC(=O)c1sc2nc(-c3ccc(O)c(OC)c3)c(NC3CCCC3)n2c1C ZINC000065318765 558971108 /nfs/dbraw/zinc/97/11/08/558971108.db2.gz ZGFIKXYODUKVFV-UHFFFAOYSA-N 0 0 415.515 4.617 50 0 HJAARN CN(Cc1ccccc1)C(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915018 558971706 /nfs/dbraw/zinc/97/17/06/558971706.db2.gz CBIORDILXIFSLP-UHFFFAOYSA-N 0 0 413.521 4.796 50 0 HJAARN COc1ccc(-c2nc3c(C)cccc3cc2CN(C)Cc2ncc[nH]2)cc1OC ZINC000072407013 558977238 /nfs/dbraw/zinc/97/72/38/558977238.db2.gz PTHWBIYDDULLEL-UHFFFAOYSA-N 0 0 402.498 4.583 50 0 HJAARN COc1ccccc1-c1cc(NC(=O)COc2ccc(C)cc2)n(-c2ccccc2)n1 ZINC000021944933 558978602 /nfs/dbraw/zinc/97/86/02/558978602.db2.gz FWLHQERAXPZODK-UHFFFAOYSA-N 0 0 413.477 4.874 50 0 HJAARN COc1ccc2c(ccn2CCC(=O)N[C@@H](c2nc3ccccc3[nH]2)c2ccccc2)c1 ZINC000334160736 558980180 /nfs/dbraw/zinc/98/01/80/558980180.db2.gz LFQJOXLDWJIOEK-RUZDIDTESA-N 0 0 424.504 4.822 50 0 HJAARN COCCn1cc(CCC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)c2ccccc21 ZINC000334161372 558980482 /nfs/dbraw/zinc/98/04/82/558980482.db2.gz AUSNIKSVBWWNLN-XMMPIXPASA-N 0 0 418.541 4.610 50 0 HJAARN CCCN1C(=O)N(c2ccccc2C)[C@H](N(O)C(=O)Nc2ccccc2C)C1(C)C ZINC000004728772 558985716 /nfs/dbraw/zinc/98/57/16/558985716.db2.gz JOGLCVRHMYPQID-HXUWFJFHSA-N 0 0 410.518 4.983 50 0 HJAARN CCC[C@@H]1CCc2c(sc(NC(=O)CCCC(=O)OCC)c2C(=O)OCC)C1 ZINC000022334371 558987843 /nfs/dbraw/zinc/98/78/43/558987843.db2.gz XCERXMZYWJEJJF-CQSZACIVSA-N 0 0 409.548 4.502 50 0 HJAARN Cc1cc(C(=O)CS[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)c(C)[nH]1 ZINC000097035927 558988246 /nfs/dbraw/zinc/98/82/46/558988246.db2.gz OULOZUPFGSCPDO-GFCCVEGCSA-N 0 0 413.524 4.867 50 0 HJAARN O=C(CCCNC(=O)c1ccsc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000022393914 558989150 /nfs/dbraw/zinc/98/91/50/558989150.db2.gz QZJREEAXCOBAKE-UHFFFAOYSA-N 0 0 424.366 4.934 50 0 HJAARN CCOc1ccccc1NC(=O)NC[C@H](c1c[nH]c2ccccc21)c1cccnc1 ZINC000033267707 558990096 /nfs/dbraw/zinc/99/00/96/558990096.db2.gz QUWHLBYYZVETQT-IBGZPJMESA-N 0 0 400.482 4.915 50 0 HJAARN CCOc1ccc(NC(=O)NC[C@@H](c2cn(C)c3ccccc23)c2cccnc2)cc1 ZINC000033267864 558990413 /nfs/dbraw/zinc/99/04/13/558990413.db2.gz IOWUATSMWAJNAN-JOCHJYFZSA-N 0 0 414.509 4.926 50 0 HJAARN CCOc1cc(NC(=O)c2ccc(C)nc2)c(OCC)cc1NC(=O)c1ccccc1 ZINC000022414838 558990623 /nfs/dbraw/zinc/99/06/23/558990623.db2.gz ROAFDKUJWAGXAI-UHFFFAOYSA-N 0 0 419.481 4.692 50 0 HJAARN CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC000096809645 558991375 /nfs/dbraw/zinc/99/13/75/558991375.db2.gz RDORKBMZZKDTNZ-FPLPWBNLSA-N 0 0 420.597 4.613 50 0 HJAARN COc1ccc(OCCCC(=O)N2CC=C(c3cncc4ccccc43)CC2)cc1 ZINC000097108942 558995139 /nfs/dbraw/zinc/99/51/39/558995139.db2.gz IMBUMVNKBNIFSN-UHFFFAOYSA-N 0 0 402.494 4.718 50 0 HJAARN CCc1noc(-c2ccc(NC(=O)[C@H](CC)Oc3ccccc3F)c(Cl)c2)n1 ZINC000097108772 558995162 /nfs/dbraw/zinc/99/51/62/558995162.db2.gz HNNVQMCSVJDNRR-INIZCTEOSA-N 0 0 403.841 4.888 50 0 HJAARN CCOc1cccc2sc(N(C[C@H]3CCCO3)C(=O)c3ccc(F)cc3F)nc21 ZINC000023108262 559011542 /nfs/dbraw/zinc/01/15/42/559011542.db2.gz CTFZPPFCUCTHHR-CQSZACIVSA-N 0 0 418.465 4.799 50 0 HJAARN O=c1c2nc(N3CCCCC3)sc2c(-c2cccs2)nn1CCc1ccccc1 ZINC000023108939 559011653 /nfs/dbraw/zinc/01/16/53/559011653.db2.gz RMQUUBTXKRMLSE-UHFFFAOYSA-N 0 0 422.579 4.815 50 0 HJAARN COc1cc(NC(=O)Cc2csc(-c3cccc(F)c3)n2)c(OC)cc1Cl ZINC000023116624 559012846 /nfs/dbraw/zinc/01/28/46/559012846.db2.gz HISGNJDWFGQQNM-UHFFFAOYSA-N 0 0 406.866 4.801 50 0 HJAARN C[C@@H](NC(=O)c1ccc(C=C2SC(=O)NC2=O)cc1)c1cccc(C(F)(F)F)c1 ZINC000096925221 559013063 /nfs/dbraw/zinc/01/30/63/559013063.db2.gz IPNYFKABAUBCKQ-LKBVRNOZSA-N 0 0 420.412 4.520 50 0 HJAARN Cc1ccc(C=CC(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)c(C)c1 ZINC000096936963 559014951 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HJAARN C[C@H](Sc1ncnc2c1cnn2C)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000011685538 559177100 /nfs/dbraw/zinc/17/71/00/559177100.db2.gz SASURYOTGZCARP-AWEZNQCLSA-N 0 0 421.551 4.634 50 0 HJAARN Cc1cccc(C)c1-n1nnnc1C(C)(C)N(N=O)c1cccc(C(F)(F)F)c1 ZINC000004844061 559178765 /nfs/dbraw/zinc/17/87/65/559178765.db2.gz NDKQRHNJCFQRDL-UHFFFAOYSA-N 0 0 404.396 4.721 50 0 HJAARN C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)CS2 ZINC000023682267 559179138 /nfs/dbraw/zinc/17/91/38/559179138.db2.gz BXBCNPUTASFPGG-OXJNMPFZSA-N 0 0 402.903 4.525 50 0 HJAARN CCOc1c(Cl)cc(C(=O)N(C)Cc2nc3ccccc3n2C(F)F)cc1OC ZINC000023880570 559181478 /nfs/dbraw/zinc/18/14/78/559181478.db2.gz OXBQFNKVABALCG-UHFFFAOYSA-N 0 0 423.847 4.764 50 0 HJAARN COc1ccc2cc(C=C3SC(=O)N=C3Nc3ccc(Cl)cc3)c(=O)[nH]c2c1 ZINC000072401005 559189256 /nfs/dbraw/zinc/18/92/56/559189256.db2.gz GQZZGGGAPDTNSP-MFOYZWKCSA-N 0 0 411.870 4.908 50 0 HJAARN Cc1ccc(NC(=O)CSc2nnc(NC(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000004851223 559191065 /nfs/dbraw/zinc/19/10/65/559191065.db2.gz VYMKUESMWSUWOP-UHFFFAOYSA-N 0 0 413.528 4.530 50 0 HJAARN O=C(NC1CCCCC1)N1CCn2cccc2[C@H]1c1ccc(Br)cc1 ZINC000004854376 559192245 /nfs/dbraw/zinc/19/22/45/559192245.db2.gz PCKXTNGCJDQHAX-LJQANCHMSA-N 0 0 402.336 4.698 50 0 HJAARN Cc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2C)c(C)c1 ZINC000004865495 559193848 /nfs/dbraw/zinc/19/38/48/559193848.db2.gz UXEPCGWIXWYTQT-UHFFFAOYSA-N 0 0 412.486 4.804 50 0 HJAARN CCCC[C@@H](CC)C(=O)N(Cc1ccco1)Cc1cccc(OS(=O)(=O)CC)c1 ZINC000004873039 559194791 /nfs/dbraw/zinc/19/47/91/559194791.db2.gz WBIVIDYTPLZJFR-LJQANCHMSA-N 0 0 421.559 4.753 50 0 HJAARN Cc1sc2c(c1C)c(=O)n(-c1ccc(Cl)cc1)c(=O)n2Cc1ccccc1F ZINC000004877766 559195591 /nfs/dbraw/zinc/19/55/91/559195591.db2.gz HIWJJMMGPHBGRD-UHFFFAOYSA-N 0 0 414.889 4.672 50 0 HJAARN CSc1nc2c3ccccc3sc2c(=O)n1CCCC(=O)NC1CCCCC1 ZINC000004878197 559195773 /nfs/dbraw/zinc/19/57/73/559195773.db2.gz PTKYTTFHMHOWCF-UHFFFAOYSA-N 0 0 415.584 4.562 50 0 HJAARN Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2c(F)cccc2Cl)c(C)c1 ZINC000004878842 559195923 /nfs/dbraw/zinc/19/59/23/559195923.db2.gz QIJHMESSIGAHHT-IBGZPJMESA-N 0 0 411.868 4.615 50 0 HJAARN Cc1ccc2cc3cc(C(=O)NCCN4CCc5ccccc5C4)sc3nc2c1 ZINC000004886214 559197011 /nfs/dbraw/zinc/19/70/11/559197011.db2.gz XTOYYZVAZWRLGL-UHFFFAOYSA-N 0 0 401.535 4.546 50 0 HJAARN Cc1ccnc2c1cccc2N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000004893719 559198730 /nfs/dbraw/zinc/19/87/30/559198730.db2.gz TZXHAULOUOEUKY-OVKIHRCZSA-N 0 0 416.480 4.940 50 0 HJAARN COc1cc(OC)c(N[C@@H]2c3ccccc3C(=O)N2c2cc(C)ccn2)cc1Cl ZINC000004900600 559199596 /nfs/dbraw/zinc/19/95/96/559199596.db2.gz QDECIZSMGKDTLE-NRFANRHFSA-N 0 0 409.873 4.832 50 0 HJAARN COc1ccc(Nc2cc(C(=O)NCc3ccccc3)c3ccccc3n2)cc1OC ZINC000004909640 559201463 /nfs/dbraw/zinc/20/14/63/559201463.db2.gz BSQGJOGQRPZTRP-UHFFFAOYSA-N 0 0 413.477 4.926 50 0 HJAARN CCCCC(=O)N(CC(=O)N(Cc1cccs1)Cc1ccc(F)cc1)C(C)C ZINC000004927202 559207993 /nfs/dbraw/zinc/20/79/93/559207993.db2.gz SHOYPGRUSDZANB-UHFFFAOYSA-N 0 0 404.551 4.843 50 0 HJAARN COc1ccc(-c2cn3c(C)c(C(=O)N4c5ccccc5C[C@H]4C)sc3n2)cc1 ZINC000004930966 559209669 /nfs/dbraw/zinc/20/96/69/559209669.db2.gz PUACFSKIXNMSHT-CQSZACIVSA-N 0 0 403.507 4.971 50 0 HJAARN COc1ccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)cc1OC ZINC000004930941 559209670 /nfs/dbraw/zinc/20/96/70/559209670.db2.gz KEKHHHGALIJTCC-UHFFFAOYSA-N 0 0 411.458 4.780 50 0 HJAARN CC(=O)Nc1cccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)c1 ZINC000004930950 559209684 /nfs/dbraw/zinc/20/96/84/559209684.db2.gz OYSHZRJPTMIZLP-UHFFFAOYSA-N 0 0 408.458 4.721 50 0 HJAARN Fc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 ZINC000004931877 559209797 /nfs/dbraw/zinc/20/97/97/559209797.db2.gz NNYPZDZNCUZTQH-RDPSFJRHSA-N 0 0 402.425 4.839 50 0 HJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc3c(s2)c2ccccc2nc3Cl)C1 ZINC000004938231 559211372 /nfs/dbraw/zinc/21/13/72/559211372.db2.gz GOBWIRWOPDWTDT-LBPRGKRZSA-N 0 0 402.903 4.518 50 0 HJAARN COCCN(Cc1ccco1)C(=O)c1cc2c(s1)c1ccccc1nc2Cl ZINC000004938537 559211437 /nfs/dbraw/zinc/21/14/37/559211437.db2.gz YWHWTLAORUBDIF-UHFFFAOYSA-N 0 0 400.887 4.985 50 0 HJAARN CCn1c2ccccc2c2sc(C(=O)Nc3cc(OC)ccc3OC)cc2c1=O ZINC000004939059 559211612 /nfs/dbraw/zinc/21/16/12/559211612.db2.gz GHWSXQHQCRLCEY-UHFFFAOYSA-N 0 0 408.479 4.506 50 0 HJAARN COc1ccccc1Cn1cc(C(=O)c2ccc(F)cc2)c(=O)c2cc(F)ccc21 ZINC000004937175 559212083 /nfs/dbraw/zinc/21/20/83/559212083.db2.gz LUCQNJUYXGGMRV-UHFFFAOYSA-N 0 0 405.400 4.568 50 0 HJAARN Cc1ccc(OCCCC(=O)N(CC2CCOCC2)[C@H](C)c2cccnc2)cc1C ZINC000408515896 559213080 /nfs/dbraw/zinc/21/30/80/559213080.db2.gz GHSJFVLKCXIPMX-OAQYLSRUSA-N 0 0 410.558 4.874 50 0 HJAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(O)c4)cc3N2)cc1 ZINC000004953123 559215976 /nfs/dbraw/zinc/21/59/76/559215976.db2.gz UFTPLNZWWLUMBV-AEFFLSMTSA-N 0 0 416.403 4.810 50 0 HJAARN C[C@]12C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]1ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000004957695 559216205 /nfs/dbraw/zinc/21/62/05/559216205.db2.gz JMURSCATIIKWMK-PQNGQFLHSA-N 0 0 418.880 4.781 50 0 HJAARN CC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccc4ccccc43)=NN12 ZINC000004994826 559225473 /nfs/dbraw/zinc/22/54/73/559225473.db2.gz PMOUPNXSYKTGIO-XMMPIXPASA-N 0 0 411.505 4.722 50 0 HJAARN CCc1ccc(CNC(=O)c2cc3c(-c4cccc(OC)c4)nn(C)c3s2)cc1 ZINC000005007271 559227648 /nfs/dbraw/zinc/22/76/48/559227648.db2.gz CFFSOUPAVSIIKW-UHFFFAOYSA-N 0 0 405.523 4.803 50 0 HJAARN COc1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1OC ZINC000033683413 559228694 /nfs/dbraw/zinc/22/86/94/559228694.db2.gz GRDWFQXUKYIDFV-MFOYZWKCSA-N 0 0 407.850 4.733 50 0 HJAARN CCCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)COc2cc(C)ccc2C(C)C)N1 ZINC000005024521 559229904 /nfs/dbraw/zinc/22/99/04/559229904.db2.gz FZXHAVUXGBCYFT-LJQANCHMSA-N 0 0 400.441 4.527 50 0 HJAARN CC(C)CCn1c(N)c(C(=O)NCCCc2ccccc2)c2nc3ccccc3nc21 ZINC000005030571 559230828 /nfs/dbraw/zinc/23/08/28/559230828.db2.gz JBTSDVLRDVPJDH-UHFFFAOYSA-N 0 0 415.541 4.575 50 0 HJAARN Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnnn2-c2ccccc2)c2ccccc2)c1 ZINC000005035176 559232964 /nfs/dbraw/zinc/23/29/64/559232964.db2.gz QSWZIPJSMNZGLP-NRFANRHFSA-N 0 0 415.522 4.751 50 0 HJAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2OC)cc1 ZINC000005035365 559233053 /nfs/dbraw/zinc/23/30/53/559233053.db2.gz ZHCBAZBRQIUNMP-UHFFFAOYSA-N 0 0 416.433 4.955 50 0 HJAARN Cc1nn([C@H]2CCOC(C)(C)C2)c2c1[C@H](c1ccc(Cl)cc1)SCC(=O)N2 ZINC000005047156 559236690 /nfs/dbraw/zinc/23/66/90/559236690.db2.gz QIRBGZKVSKCRII-YJBOKZPZSA-N 0 0 405.951 4.750 50 0 HJAARN COc1ccc(-c2nc(CSCC(=O)N[C@@H]3CCCC[C@H]3C)c(C)o2)cc1OC ZINC000005057224 559237840 /nfs/dbraw/zinc/23/78/40/559237840.db2.gz KPGGIQCZPDSWRL-RHSMWYFYSA-N 0 0 418.559 4.595 50 0 HJAARN COc1cccc(-c2nc(CSCC(=O)NCCc3ccc(C)cc3)c(C)o2)c1 ZINC000005057004 559237876 /nfs/dbraw/zinc/23/78/76/559237876.db2.gz LEAHKSRQLMJQJD-UHFFFAOYSA-N 0 0 410.539 4.559 50 0 biogenic HJAARN Cc1ccc(NC(=O)CSc2cc(=O)n(C)c3ccc(Cl)cc23)c(Cl)c1 ZINC000005066858 559239968 /nfs/dbraw/zinc/23/99/68/559239968.db2.gz BIFKJZQHRULOLP-UHFFFAOYSA-N 0 0 407.322 4.885 50 0 HJAARN CCn1c(=O)cc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c2ccccc21 ZINC000005066929 559240076 /nfs/dbraw/zinc/24/00/76/559240076.db2.gz VDDCZDZKUGKIPU-UHFFFAOYSA-N 0 0 414.461 4.831 50 0 HJAARN COCCNc1nnc(S[C@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)s1 ZINC000005078484 559241952 /nfs/dbraw/zinc/24/19/52/559241952.db2.gz QPGBVDPRIGLWBY-IBGZPJMESA-N 0 0 413.568 4.930 50 0 HJAARN O=C(Cc1ccc(Br)cc1)Nc1cccc(-c2cn3c(n2)SCC3)c1 ZINC000005083560 559242237 /nfs/dbraw/zinc/24/22/37/559242237.db2.gz SOIFQRRDSZSHIL-UHFFFAOYSA-N 0 0 414.328 4.600 50 0 HJAARN CCOc1ccc2nc(N3CCC(C(=O)NC4CCCCCC4)CC3)sc2c1 ZINC000005085931 559242912 /nfs/dbraw/zinc/24/29/12/559242912.db2.gz UCZIKSJHXJXOET-UHFFFAOYSA-N 0 0 401.576 4.750 50 0 HJAARN CCc1cccc(C)c1NC(=O)COc1cccc(C(=O)NCc2ccccc2)c1 ZINC000005090049 559243319 /nfs/dbraw/zinc/24/33/19/559243319.db2.gz SRLZFTKTQBJKOX-UHFFFAOYSA-N 0 0 402.494 4.505 50 0 HJAARN CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCCc4ccc(C)cc4)C3)sc2c1 ZINC000005105805 559245783 /nfs/dbraw/zinc/24/57/83/559245783.db2.gz JHQSDRWALJHEOF-LJQANCHMSA-N 0 0 423.582 4.579 50 0 HJAARN CCOc1ccc2nc(N3CCC[C@H](C(=O)Nc4cccc(C(C)=O)c4)C3)sc2c1 ZINC000005105872 559245788 /nfs/dbraw/zinc/24/57/88/559245788.db2.gz IGQXMESXUDZDIJ-KRWDZBQOSA-N 0 0 423.538 4.753 50 0 HJAARN Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)COc1ccc(Cl)cc1 ZINC000005137064 559250038 /nfs/dbraw/zinc/25/00/38/559250038.db2.gz FNHLLVKEANAEQM-UHFFFAOYSA-N 0 0 404.894 4.649 50 0 HJAARN O=C(NCCc1csc(-c2cccc(F)c2)n1)c1ccccc1Br ZINC000005137504 559250793 /nfs/dbraw/zinc/25/07/93/559250793.db2.gz SLODXWFJTWAVAA-UHFFFAOYSA-N 0 0 405.292 4.684 50 0 HJAARN O=c1c2cnn(-c3ccc(Cl)cc3)c2ncn1Cc1ccc(Cl)c(Cl)c1 ZINC000005139105 559251008 /nfs/dbraw/zinc/25/10/08/559251008.db2.gz LARGDUSBGBFHLZ-UHFFFAOYSA-N 0 0 405.672 4.591 50 0 HJAARN COc1ccc2sc(N(Cc3cccnc3)C(=O)/C=C/c3ccccc3)nc2c1 ZINC000005142286 559251895 /nfs/dbraw/zinc/25/18/95/559251895.db2.gz ZHXLYVZLOKMAFW-FMIVXFBMSA-N 0 0 401.491 4.947 50 0 HJAARN O=C(Cn1cc2c(n1)CCCCC2)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000005148641 559253120 /nfs/dbraw/zinc/25/31/20/559253120.db2.gz ZSRCYVQHFRDJNZ-UHFFFAOYSA-N 0 0 407.901 4.675 50 0 HJAARN CC(C)NC(=O)Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccccc2)cc1 ZINC000037555680 559254911 /nfs/dbraw/zinc/25/49/11/559254911.db2.gz VPPHPSFIYTVICD-UHFFFAOYSA-N 0 0 404.485 4.740 50 0 HJAARN COc1cc(Cl)c(C)cc1NC(=O)CNc1ccc(Br)cc1F ZINC000011724679 559255970 /nfs/dbraw/zinc/25/59/70/559255970.db2.gz IBBAJJJLZZBHHL-UHFFFAOYSA-N 0 0 401.663 4.609 50 0 HJAARN COc1ccc(CC[C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)cc1OC ZINC000247943481 559256144 /nfs/dbraw/zinc/25/61/44/559256144.db2.gz XXBZVSFHPVZTQJ-FKBYEOEOSA-N 0 0 411.517 4.960 50 0 HJAARN Cc1ccc2c(CC(=O)OCC(=O)Nc3ccccc3SC(F)F)coc2c1 ZINC000011739393 559256439 /nfs/dbraw/zinc/25/64/39/559256439.db2.gz YZQCMVZEVDLLDT-UHFFFAOYSA-N 0 0 405.422 4.780 50 0 HJAARN C[C@@H](NC(=O)c1nnn(-c2ccccc2Cl)c1-c1ccncc1)c1ccc(F)cc1 ZINC000038487889 559257046 /nfs/dbraw/zinc/25/70/46/559257046.db2.gz BOTZCFMRLWGLDV-CQSZACIVSA-N 0 0 421.863 4.613 50 0 HJAARN CC(C)c1ccc(CNC(=O)c2nnn(-c3ccc(F)cc3)c2-c2ccncc2)cc1 ZINC000038487892 559257057 /nfs/dbraw/zinc/25/70/57/559257057.db2.gz POJKXCMQNBNKOG-UHFFFAOYSA-N 0 0 415.472 4.522 50 0 HJAARN Cc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)cc1 ZINC000005156371 559258840 /nfs/dbraw/zinc/25/88/40/559258840.db2.gz KQNRBRFHDRLEGL-HXUWFJFHSA-N 0 0 402.837 4.900 50 0 HJAARN COc1ccc2nc(NC(=O)CCc3ncc(-c4c(F)cccc4F)o3)sc2c1 ZINC000011807119 559260143 /nfs/dbraw/zinc/26/01/43/559260143.db2.gz PVERSHGWXDXURU-UHFFFAOYSA-N 0 0 415.421 4.809 50 0 HJAARN Cc1ccc(-n2ncc3c4nc(COc5ccc6ccccc6c5)nn4cnc32)cc1 ZINC000005156731 559260867 /nfs/dbraw/zinc/26/08/67/559260867.db2.gz ZWMNGYOUKASEPP-UHFFFAOYSA-N 0 0 406.449 4.504 50 0 HJAARN CN(Cc1ccc(Br)s1)C(=O)c1cccc(NC(=O)C(C)(C)C)c1 ZINC000248093993 559262423 /nfs/dbraw/zinc/26/24/23/559262423.db2.gz YNSOAODOZKWKFB-UHFFFAOYSA-N 0 0 409.349 4.767 50 0 HJAARN O=C(Nc1nc2ccc(Cl)cc2s1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000011915973 559267198 /nfs/dbraw/zinc/26/71/98/559267198.db2.gz RTSLZLQSBPYFSH-UHFFFAOYSA-N 0 0 413.842 4.628 50 0 HJAARN CCCOc1ccc(C(=O)Nc2nonc2-c2ccc(Br)cc2)cc1 ZINC000011917110 559267923 /nfs/dbraw/zinc/26/79/23/559267923.db2.gz AOVGGXFPSWIWPK-UHFFFAOYSA-N 0 0 402.248 4.540 50 0 HJAARN COc1cc(OC)c(C2=CCN(C(=O)[C@H](C)Sc3ccccc3)CC2)c(OC)c1 ZINC000011918394 559268084 /nfs/dbraw/zinc/26/80/84/559268084.db2.gz UENPCEKYUIVSBM-INIZCTEOSA-N 0 0 413.539 4.509 50 0 HJAARN CC(C)(C)c1ccc(-n2nc(C(=O)Nc3ccccc3Cl)sc2=NC#N)cc1 ZINC000252674750 559279290 /nfs/dbraw/zinc/27/92/90/559279290.db2.gz SLLYWGNUFXKKSD-UHFFFAOYSA-N 0 0 411.918 4.519 50 0 HJAARN COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2OC)cc1 ZINC000005175339 559288649 /nfs/dbraw/zinc/28/86/49/559288649.db2.gz LYTDKQCKYHPRGN-IZHYLOQSSA-N 0 0 400.434 4.935 50 0 HJAARN O=C(N[C@@H]1CC(=O)N(c2cccc(F)c2)C1)NC1CCCCCCCCCCC1 ZINC000005193697 559291618 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Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1 ZINC000005392711 560583013 /nfs/dbraw/zinc/58/30/13/560583013.db2.gz RFNXIROKZGBXAV-UHFFFAOYSA-N 0 0 400.887 4.702 50 0 HJAARN C=C1c2cc3c(cc2CCN1C(=O)C1(c2ccc(F)cc2)CCCC1)OCCCO3 ZINC000005421598 560585168 /nfs/dbraw/zinc/58/51/68/560585168.db2.gz PDYHZFDLYNIIQZ-UHFFFAOYSA-N 0 0 407.485 4.854 50 0 HJAARN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)CCCOc1ccc(Cl)cc1C)CC2 ZINC000005422658 560585388 /nfs/dbraw/zinc/58/53/88/560585388.db2.gz AJKKGAAGORUWIT-MRXNPFEDSA-N 0 0 417.933 4.971 50 0 HJAARN O=C(Nc1ccc(F)c(Cl)c1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 ZINC000002634002 560586624 /nfs/dbraw/zinc/58/66/24/560586624.db2.gz OMNJSXQABNJVTR-UHFFFAOYSA-N 0 0 408.816 4.528 50 0 HJAARN COc1cc(NC(=O)Cc2ccc(-c3ccccc3)cc2)ccc1N1CCCC1=O ZINC000005440320 560587591 /nfs/dbraw/zinc/58/75/91/560587591.db2.gz HGIGALVSOPLTNR-UHFFFAOYSA-N 0 0 400.478 4.670 50 0 HJAARN O=C(COC(=O)c1cccc(OC(F)F)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000003250012 560589263 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COc1cc(CC(=O)NCCC(c2ccccc2)c2ccccc2)cc(OC)c1OC ZINC000005509019 560600184 /nfs/dbraw/zinc/60/01/84/560600184.db2.gz XMXRFTLNLPXVTH-UHFFFAOYSA-N 0 0 419.521 4.593 50 0 HJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccn2)N1Cc1ccccc1 ZINC000005516017 560603960 /nfs/dbraw/zinc/60/39/60/560603960.db2.gz BVHJUABMPLHLGW-HXUWFJFHSA-N 0 0 402.837 4.587 50 0 HJAARN CC[C@@H](C)NC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 ZINC000005557530 560613587 /nfs/dbraw/zinc/61/35/87/560613587.db2.gz ZSYGHBADRJNZOU-CQSZACIVSA-N 0 0 412.917 4.757 50 0 HJAARN COc1ccc(C[C@@H](C(=O)Nc2ccccn2)c2nc3ccccc3s2)cc1OC ZINC000005570211 560616630 /nfs/dbraw/zinc/61/66/30/560616630.db2.gz XCHFDWGJOPPBCM-INIZCTEOSA-N 0 0 419.506 4.674 50 0 HJAARN Cc1ccc(-c2cc(C(=O)NCC(=O)Nc3c(C)cccc3C)c3ccccc3n2)o1 ZINC000005172905 560624935 /nfs/dbraw/zinc/62/49/35/560624935.db2.gz LLQIGZPGSKQORS-UHFFFAOYSA-N 0 0 413.477 4.789 50 0 HJAARN CCOc1ccccc1OCC(=O)Nc1nc(-c2ccc(OC)c(Cl)c2)cs1 ZINC000005279720 560625666 /nfs/dbraw/zinc/62/56/66/560625666.db2.gz ILNLJUZFQMYYNX-UHFFFAOYSA-N 0 0 418.902 4.888 50 0 HJAARN CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1ccc(Cl)c(C(F)(F)F)c1 ZINC000005584040 560627788 /nfs/dbraw/zinc/62/77/88/560627788.db2.gz DDWVNNRXLDSDJR-QGZVFWFLSA-N 0 0 415.864 4.767 50 0 HJAARN Fc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 ZINC000005603171 560629385 /nfs/dbraw/zinc/62/93/85/560629385.db2.gz KVRHKXLTAFXWKC-RDPSFJRHSA-N 0 0 402.425 4.839 50 0 HJAARN COc1cc(/C=C2/N=C(C34CC5CC(CC(C5)C3)C4)OC2=O)ccc1OC(F)F ZINC000006380999 560630315 /nfs/dbraw/zinc/63/03/15/560630315.db2.gz YUKIQXLEBFYJEH-FRKPEAEDSA-N 0 0 403.425 4.809 50 0 HJAARN Cc1cc(C(=O)COC(=O)COc2ccc(Cl)c(C)c2)c(C)n1Cc1ccco1 ZINC000006425098 560631218 /nfs/dbraw/zinc/63/12/18/560631218.db2.gz CSQZRXARTKWTLK-UHFFFAOYSA-N 0 0 415.873 4.513 50 0 HJAARN O=C(Nc1cccc(CSc2ccccn2)c1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000062580406 560631459 /nfs/dbraw/zinc/63/14/59/560631459.db2.gz WPQUEGIYQPLBLA-SFHVURJKSA-N 0 0 423.563 4.679 50 0 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/nfs/dbraw/zinc/71/97/13/560719713.db2.gz INJCALNFZOUQRN-JEOXALJRSA-N 0 0 407.322 4.800 50 0 HJAARN c1csc(-c2nc3ccccc3c(SCc3nnnn3-c3ccccc3)n2)c1 ZINC000017663176 560722165 /nfs/dbraw/zinc/72/21/65/560722165.db2.gz RRUNOCAKGRNLBD-UHFFFAOYSA-N 0 0 402.508 4.626 50 0 HJAARN O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1cccc(Br)c1 ZINC000002982034 560732550 /nfs/dbraw/zinc/73/25/50/560732550.db2.gz SBKPUFVWZNWHNX-UHFFFAOYSA-N 0 0 418.341 4.699 50 0 HJAARN Cc1cc(O[C@@H]2CCN(C(=O)c3ccc(-c4cccc(Cl)c4)cc3)C2)cc(=O)o1 ZINC000206964521 560752022 /nfs/dbraw/zinc/75/20/22/560752022.db2.gz DPNQFJGTONTSJH-HXUWFJFHSA-N 0 0 409.869 4.562 50 0 HJAARN CC(=O)N(c1nc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)cs1)c1ccccc1F ZINC000098002325 560759073 /nfs/dbraw/zinc/75/90/73/560759073.db2.gz PSEAFLWSUXPSSW-WOJGMQOQSA-N 0 0 421.453 4.620 50 0 HJAARN CCN(CC)c1ccc(C(=O)/N=c2\sc3cc(Cl)ccc3n2CCOC)cc1 ZINC000100872504 560760614 /nfs/dbraw/zinc/76/06/14/560760614.db2.gz XPMYAEOCHXDXNH-LNVKXUELSA-N 0 0 417.962 4.590 50 0 HJAARN C[C@H](OC(=O)c1cccc(OC(F)F)c1)C(=O)Nc1cccc(Cl)c1Cl ZINC000011461492 560772230 /nfs/dbraw/zinc/77/22/30/560772230.db2.gz NTGZUNYOFAXPMM-VIFPVBQESA-N 0 0 404.196 4.779 50 0 HJAARN CC[C@@H](C(=O)Nc1cc(-c2cn3nc(OC)ccc3n2)ccc1OC)c1ccccc1 ZINC000011693437 560773659 /nfs/dbraw/zinc/77/36/59/560773659.db2.gz CXCZFFNOVYYEAB-GOSISDBHSA-N 0 0 416.481 4.546 50 0 HJAARN COc1ccc([C@H](CNC(=O)COc2ccc(F)cc2)c2c[nH]c3ccccc32)cc1 ZINC000018074451 560774692 /nfs/dbraw/zinc/77/46/92/560774692.db2.gz WSTNPRBXAYBNJQ-QFIPXVFZSA-N 0 0 418.468 4.643 50 0 HJAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1ccccc1OCc1ccc(F)cc1 ZINC000018092125 560775345 /nfs/dbraw/zinc/77/53/45/560775345.db2.gz YDBHMOWAOGUXJG-UHFFFAOYSA-N 0 0 404.441 4.784 50 0 HJAARN Cn1c([C@H]2Sc3ccccc3NC2=O)ccc1[C@@H]1Sc2ccccc2NC1=O ZINC000018126215 560778748 /nfs/dbraw/zinc/77/87/48/560778748.db2.gz YVYPZZKMPZYZJS-KDURUIRLSA-N 0 0 407.520 4.596 50 0 HJAARN O=C(Nc1ccc(Br)cc1)Nc1cccc(-c2nnc3n2CCCC3)c1 ZINC000583649017 560779229 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O=C1C(=O)N(Cc2ccccn2)[C@@H](c2cccc(Br)c2)C1c1ccccc1 ZINC000045942652 568422546 /nfs/dbraw/zinc/42/25/46/568422546.db2.gz AMQKHNQVUQLKAA-FQEVSTJZSA-N 0 0 421.294 4.897 50 0 HJAARN COc1ccc(Nc2cc(C(=O)NCc3ccccc3)c3ccccc3n2)c(OC)c1 ZINC000004910126 568422835 /nfs/dbraw/zinc/42/28/35/568422835.db2.gz ZTCVBIFCUAGQDW-UHFFFAOYSA-N 0 0 413.477 4.926 50 0 HJAARN Cc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000046012138 568423373 /nfs/dbraw/zinc/42/33/73/568423373.db2.gz QCGDKXMHVBOMOR-UHFFFAOYSA-N 0 0 403.413 4.869 50 0 HJAARN CC(C)c1noc(-c2ccccc2OCC(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000046012509 568423486 /nfs/dbraw/zinc/42/34/86/568423486.db2.gz OIAUUBQVLQYWKE-UHFFFAOYSA-N 0 0 405.376 4.896 50 0 HJAARN CCc1cc(OCC(=O)Nc2cccc(F)c2)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000046017111 568423747 /nfs/dbraw/zinc/42/37/47/568423747.db2.gz WPRQGEXZBIHTDB-UHFFFAOYSA-N 0 0 418.472 4.756 50 0 HJAARN COc1cccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)c1 ZINC000046022252 568424111 /nfs/dbraw/zinc/42/41/11/568424111.db2.gz 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Cc1cc(Cl)ccc1NC(=O)c1cc2cc(N(C)S(C)(=O)=O)ccc2s1 ZINC000046058044 568426355 /nfs/dbraw/zinc/42/63/55/568426355.db2.gz PSTSAFBNNVJDRC-UHFFFAOYSA-N 0 0 408.932 4.511 50 0 HJAARN Cc1ccc2c(c1)Oc1ccc(S(=O)(=O)N(C)c3c(C)cccc3C)cc1C(=O)N2 ZINC000046077621 568427346 /nfs/dbraw/zinc/42/73/46/568427346.db2.gz SXFYKIBBZNHDIX-UHFFFAOYSA-N 0 0 422.506 4.795 50 0 HJAARN CC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)c1 ZINC000046079021 568427679 /nfs/dbraw/zinc/42/76/79/568427679.db2.gz JPNBIUNHVRAYHD-UHFFFAOYSA-N 0 0 416.452 4.874 50 0 HJAARN C[C@@H](NC(=O)NCc1cccc(Cn2ccnc2)c1)c1cccc(C(F)(F)F)c1 ZINC000047934789 568431571 /nfs/dbraw/zinc/43/15/71/568431571.db2.gz FUKOGRCWYYKDKK-OAHLLOKOSA-N 0 0 402.420 4.511 50 0 HJAARN Cc1nn(C)c2nc(C(C)C)cc(C(=O)N(Cc3ccccn3)c3ccc(F)cc3)c12 ZINC000048286906 568434567 /nfs/dbraw/zinc/43/45/67/568434567.db2.gz DWMNFTPQZZGONM-UHFFFAOYSA-N 0 0 417.488 4.781 50 0 HJAARN Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NCCc1ccc(Cl)cc1Cl ZINC000048333923 568439539 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COc1cc(CSCc2csc(NC(=O)c3ccc(F)cc3)n2)cc(OC)c1 ZINC000012230254 568442810 /nfs/dbraw/zinc/44/28/10/568442810.db2.gz MQWMDZBZZGFEDR-UHFFFAOYSA-N 0 0 418.515 4.985 50 0 HJAARN CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc2c(c1)OCO2 ZINC000049005105 568444350 /nfs/dbraw/zinc/44/43/50/568444350.db2.gz LCEWFOYIWCLYDE-QGZVFWFLSA-N 0 0 418.497 4.815 50 0 HJAARN CC(=O)c1cccc(Nc2c(C(=O)N3CCCC[C@@H]3C)cnc3nc(C)ccc32)c1 ZINC000049005173 568444459 /nfs/dbraw/zinc/44/44/59/568444459.db2.gz HJCYEKKVJAATSR-INIZCTEOSA-N 0 0 402.498 4.899 50 0 HJAARN CC(=O)Nc1cccc(Nc2c(C(=O)N3CCCC[C@@H]3C)cnc3nc(C)ccc32)c1 ZINC000049005312 568444484 /nfs/dbraw/zinc/44/44/84/568444484.db2.gz SWNIRMGAPMFESC-INIZCTEOSA-N 0 0 417.513 4.655 50 0 HJAARN CC1CCN(c2nccnc2Oc2ccc(C(=O)NCCc3cccs3)cc2)CC1 ZINC000049006026 568444577 /nfs/dbraw/zinc/44/45/77/568444577.db2.gz KUMVCRQJOUAPPY-UHFFFAOYSA-N 0 0 422.554 4.539 50 0 HJAARN Cc1nc(SCC(=O)Nc2cc(Cl)ccc2Cl)cc(-c2ccccn2)n1 ZINC000049007125 568444886 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C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)NCC1CCCCC1 ZINC000005887128 568454242 /nfs/dbraw/zinc/45/42/42/568454242.db2.gz LIWIVSRFJLZWIB-INIZCTEOSA-N 0 0 410.543 4.704 50 0 HJAARN COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)c3ccc(C)cc3)nc21 ZINC000005142405 568454485 /nfs/dbraw/zinc/45/44/85/568454485.db2.gz AUQTYTIXSMRSFP-UHFFFAOYSA-N 0 0 419.506 4.864 50 0 HJAARN O=C(Nc1nn(Cc2ccc(Cl)cc2)cc1Br)c1ccc(F)cc1 ZINC000005768638 568455153 /nfs/dbraw/zinc/45/51/53/568455153.db2.gz AUGKKZMGQAFWFI-UHFFFAOYSA-N 0 0 408.658 4.739 50 0 HJAARN Cc1oc2cc(Br)c(OC(=O)c3ccco3)cc2c1C(=O)OC(C)C ZINC000000623790 568455745 /nfs/dbraw/zinc/45/57/45/568455745.db2.gz GDCOMRUSEZYIHH-UHFFFAOYSA-N 0 0 407.216 4.881 50 0 HJAARN O=C(CSc1ccc(Br)cc1)Nc1ccccc1Br ZINC000000624550 568455891 /nfs/dbraw/zinc/45/58/91/568455891.db2.gz RHVVDNTVVULDBT-UHFFFAOYSA-N 0 0 401.123 4.942 50 0 HJAARN COc1ccc(-c2nc(NC(=O)C[C@@H](NC(C)=O)c3ccc(C)cc3)sc2C)cc1 ZINC000012263940 568456917 /nfs/dbraw/zinc/45/69/17/568456917.db2.gz 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4.672 50 0 HJAARN O=C(Cn1cccc(C(F)(F)F)c1=O)Oc1ccc(-c2ccccc2)cc1Cl ZINC000024906985 568482801 /nfs/dbraw/zinc/48/28/01/568482801.db2.gz IIWOQILZNNXBMG-UHFFFAOYSA-N 0 0 407.775 4.793 50 0 HJAARN CCOc1ccc(-n2cnc3scc(-c4ccc(OC)c(OC)c4)c3c2=O)cc1 ZINC000000798313 568483000 /nfs/dbraw/zinc/48/30/00/568483000.db2.gz WBULLTREOWGOIJ-UHFFFAOYSA-N 0 0 408.479 4.530 50 0 HJAARN CCC1=NN(C(=O)c2cccc(Cl)c2)[C@@](O)(c2ccc(Br)cc2)C1 ZINC000000799703 568483617 /nfs/dbraw/zinc/48/36/17/568483617.db2.gz WPAWQEGOUWEAES-SFHVURJKSA-N 0 0 407.695 4.560 50 0 HJAARN Nc1c(C(=O)Nc2cccc(Cl)c2)c2ccccn2c1C(=O)c1ccc(F)cc1 ZINC000012342122 568483812 /nfs/dbraw/zinc/48/38/12/568483812.db2.gz VMIANZAWRZRMJQ-UHFFFAOYSA-N 0 0 407.832 4.797 50 0 HJAARN COc1cccc(C(=O)c2c(N)c(C(=O)Nc3cccc(C)c3C)c3ccccn32)c1 ZINC000012342019 568484199 /nfs/dbraw/zinc/48/41/99/568484199.db2.gz SWMROSXWVWRTFN-UHFFFAOYSA-N 0 0 413.477 4.630 50 0 HJAARN C[C@@H](OC(=O)c1cc2c(s1)CC[C@H](C)C2)C(=O)Nc1ncc(Cl)cc1Cl ZINC000005773212 568485785 /nfs/dbraw/zinc/48/57/85/568485785.db2.gz HJWGKDLZRFXPJD-VHSXEESVSA-N 0 0 413.326 4.759 50 0 HJAARN COc1ccc(NC(=O)c2ccc(NC(=O)CCn3ccc4ccccc43)cc2)cc1 ZINC000008071108 568490004 /nfs/dbraw/zinc/49/00/04/568490004.db2.gz HDQQJZCBVVRBBV-UHFFFAOYSA-N 0 0 413.477 4.931 50 0 HJAARN C[C@H](NC(=O)CSc1nnc(Cc2ccccc2)o1)c1ccc2c(c1)CCCC2 ZINC000008133088 568491282 /nfs/dbraw/zinc/49/12/82/568491282.db2.gz ZRLYEOWPZODQMN-INIZCTEOSA-N 0 0 407.539 4.509 50 0 HJAARN Cn1ccnc1[C@H](NC(=O)Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000008118062 568492184 /nfs/dbraw/zinc/49/21/84/568492184.db2.gz HZZZUOOPVXPHKS-GOSISDBHSA-N 0 0 408.716 4.829 50 0 HJAARN COCCOc1cc(NC(=O)C2c3ccccc3Oc3ccccc32)ccc1OC ZINC000024936406 568493596 /nfs/dbraw/zinc/49/35/96/568493596.db2.gz XCHSYQJAJMSYOV-UHFFFAOYSA-N 0 0 405.450 4.597 50 0 HJAARN O=C(Nc1nc(-c2ccccc2)cs1)C1(S(=O)(=O)c2ccccc2)CCCC1 ZINC000024950227 568498467 /nfs/dbraw/zinc/49/84/67/568498467.db2.gz BRQABSDAPGUBNS-UHFFFAOYSA-N 0 0 412.536 4.535 50 0 HJAARN O=C1OC(c2ccc(Br)cc2)=N/C1=C\c1ccccc1Br ZINC000000829613 568500390 /nfs/dbraw/zinc/50/03/90/568500390.db2.gz BKBGOSYIWTVACM-ZROIWOOFSA-N 0 0 407.061 4.556 50 0 HJAARN O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccccc1Br ZINC000000829611 568500404 /nfs/dbraw/zinc/50/04/04/568500404.db2.gz YTOIUMNAQWFMIY-ZROIWOOFSA-N 0 0 407.061 4.556 50 0 HJAARN Cc1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000012361518 568509604 /nfs/dbraw/zinc/50/96/04/568509604.db2.gz MCHQPFYNRVLUKK-FQEVSTJZSA-N 0 0 421.349 4.897 50 0 HJAARN CCCCCc1c(C)nn(-c2nc(CC(=O)Nc3ccc(F)cc3)cs2)c1C ZINC000033019325 568510405 /nfs/dbraw/zinc/51/04/05/568510405.db2.gz WFFDHOHZFWGQNC-UHFFFAOYSA-N 0 0 400.523 4.999 50 0 HJAARN Cc1ccc(-n2nc(S[C@H](C)C(=O)Nc3cccc(C)c3C)ccc2=O)cc1C ZINC000033128072 568511213 /nfs/dbraw/zinc/51/12/13/568511213.db2.gz JDAOCFCZTCZDBI-GOSISDBHSA-N 0 0 407.539 4.585 50 0 HJAARN CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000835306 568513383 /nfs/dbraw/zinc/51/33/83/568513383.db2.gz LGWCRRIXTQXAIZ-UHFFFAOYSA-N 0 0 414.914 4.559 50 0 HJAARN Cc1cc(C)cc(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)c1 ZINC000000835092 568513402 /nfs/dbraw/zinc/51/34/02/568513402.db2.gz YRCBBXGVHAQGRD-UHFFFAOYSA-N 0 0 408.523 4.522 50 0 HJAARN Cc1ccccc1NC(=O)COc1ccccc1-c1noc(-c2ccccc2F)n1 ZINC000033325017 568513889 /nfs/dbraw/zinc/51/38/89/568513889.db2.gz IOERANUYMVSQRP-UHFFFAOYSA-N 0 0 403.413 4.869 50 0 HJAARN CCOc1ccc([C@H]2CCCN2C(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)cc1 ZINC000024767546 568514040 /nfs/dbraw/zinc/51/40/40/568514040.db2.gz ZGIYDCYBUVYRAX-YLJYHZDGSA-N 0 0 407.510 4.826 50 0 HJAARN O=C(/C=C\c1ccccc1Cl)NCCCCNC(=O)/C=C\c1ccccc1Cl ZINC000033455809 568514807 /nfs/dbraw/zinc/51/48/07/568514807.db2.gz KHDKYKZKDQMAKP-XSYHWHKQSA-N 0 0 417.336 4.733 50 0 HJAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3F)oc2N2CCC(C)CC2)cc1 ZINC000020069232 568587076 /nfs/dbraw/zinc/58/70/76/568587076.db2.gz MIECKLQTTRQEBT-UHFFFAOYSA-N 0 0 414.502 4.858 50 0 HJAARN CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1c(-c2ccccc2)nc2ncccn21 ZINC000606422324 568590541 /nfs/dbraw/zinc/59/05/41/568590541.db2.gz NNFNPSILGQTUIO-UKRRQHHQSA-N 0 0 401.297 4.926 50 0 HJAARN O=C(NC1(c2cccs2)CCOCC1)c1cc(Br)ccc1Cl ZINC000390829253 568591750 /nfs/dbraw/zinc/59/17/50/568591750.db2.gz XUJKUONXZSUNMV-UHFFFAOYSA-N 0 0 400.725 4.600 50 0 HJAARN O=C(Nc1cnn(C[C@@H]2CCCCO2)c1)c1ccc2noc(-c3ccccc3)c2c1 ZINC000390829498 568591936 /nfs/dbraw/zinc/59/19/36/568591936.db2.gz ZKHWEUZOJFCCEZ-IBGZPJMESA-N 0 0 402.454 4.513 50 0 HJAARN Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)NCc3ccc(F)cc3)c12 ZINC000020283568 568596656 /nfs/dbraw/zinc/59/66/56/568596656.db2.gz RJQCXGPAPKEBEI-UHFFFAOYSA-N 0 0 408.864 4.760 50 0 HJAARN C[C@H](NC(=O)c1ccccc1F)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020288444 568597527 /nfs/dbraw/zinc/59/75/27/568597527.db2.gz PSTXPRDTIYBNSR-FDDCHVKYSA-N 0 0 423.557 4.569 50 0 HJAARN C[C@H](NC(=O)Oc1ccccc1)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020288522 568597851 /nfs/dbraw/zinc/59/78/51/568597851.db2.gz JFUMCMXUZNHAFC-WMZHIEFXSA-N 0 0 421.566 4.789 50 0 HJAARN Cc1nc2ccc(NC(=O)N3CCO[C@H](c4ccc(Br)cc4)C3)cc2o1 ZINC000095373488 568603111 /nfs/dbraw/zinc/60/31/11/568603111.db2.gz MYYKBHIELWRERB-SFHVURJKSA-N 0 0 416.275 4.504 50 0 HJAARN C[C@H](Oc1ccccc1)C(=O)n1nc(-c2ccco2)nc1NCc1ccccc1Cl ZINC000020444343 568608168 /nfs/dbraw/zinc/60/81/68/568608168.db2.gz DCWLPPMGPZLNAK-HNNXBMFYSA-N 0 0 422.872 4.911 50 0 HJAARN Cc1ccc2c(c1)N(C(=O)CCC(=O)N[C@@H](C)C13CC4CC(CC(C4)C1)C3)C[C@@H](C)O2 ZINC000020466076 568610359 /nfs/dbraw/zinc/61/03/59/568610359.db2.gz QPXGRJHMCRZLNX-WKCDDPOYSA-N 0 0 424.585 4.610 50 0 HJAARN O=C(Cc1ccc(OC(F)F)cc1)NCCc1csc(-c2ccccc2Cl)n1 ZINC000095443899 568611324 /nfs/dbraw/zinc/61/13/24/568611324.db2.gz SKNKKBPFXXZHBQ-UHFFFAOYSA-N 0 0 422.884 4.966 50 0 HJAARN O=C(Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1)c1ncncc1Cl ZINC000095447569 568612188 /nfs/dbraw/zinc/61/21/88/568612188.db2.gz SBZOSULTUGZVEF-UHFFFAOYSA-N 0 0 400.571 4.630 50 0 HJAARN CN(C(=O)c1nn(C)c2c1CSc1ccccc1-2)c1ccc(Br)cc1 ZINC000020485075 568612846 /nfs/dbraw/zinc/61/28/46/568612846.db2.gz ZQSGEYTYHRMZLP-UHFFFAOYSA-N 0 0 414.328 4.732 50 0 HJAARN O=C1OC(c2cccc(Br)c2)=N/C1=C\c1cc(Br)cs1 ZINC000020615688 568637957 /nfs/dbraw/zinc/63/79/57/568637957.db2.gz WQUSQNVKONCKCL-SDQBBNPISA-N 0 0 413.090 4.618 50 0 HJAARN CC(C)[C@@H]1CCCN1c1ccc(NC(=O)CCc2nc(-c3ccco3)no2)cc1F ZINC000095465072 568622965 /nfs/dbraw/zinc/62/29/65/568622965.db2.gz BKYISPXYKYDQIE-KRWDZBQOSA-N 0 0 412.465 4.665 50 0 HJAARN CCOCCOc1c(Cl)cccc1NC(=O)N1CC=C(c2cccc(OC)c2)C1 ZINC000095467091 568624548 /nfs/dbraw/zinc/62/45/48/568624548.db2.gz HMZROLKKSNNKQC-UHFFFAOYSA-N 0 0 416.905 4.695 50 0 HJAARN COc1cc(OC)c(C(=O)Nc2ccccc2NCc2ccccc2C)cc1OC ZINC000095467811 568624750 /nfs/dbraw/zinc/62/47/50/568624750.db2.gz BHIDPTONCZEZTA-UHFFFAOYSA-N 0 0 406.482 4.885 50 0 HJAARN C[C@H](CC(=O)NC[C@H]1CC(=O)N(C)[C@@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000095468399 568624990 /nfs/dbraw/zinc/62/49/90/568624990.db2.gz APFGAKLQYVVNGY-YBOAYWMSSA-N 0 0 418.459 4.535 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC000020531050 568627073 /nfs/dbraw/zinc/62/70/73/568627073.db2.gz GKLOBBRYCKOADH-OAQYLSRUSA-N 0 0 406.869 4.684 50 0 HJAARN O=C([C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O)N1CC=C(c2ccccc2)CC1 ZINC000020531207 568627118 /nfs/dbraw/zinc/62/71/18/568627118.db2.gz CYCLXWORNDPFCR-AREMUKBSSA-N 0 0 422.528 4.570 50 0 HJAARN C[C@H](C(=O)NCCc1c[nH]c2ccc(F)cc12)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC000095472210 568627518 /nfs/dbraw/zinc/62/75/18/568627518.db2.gz KXACXPSPZJFNSK-LPHOPBHVSA-N 0 0 406.501 4.681 50 0 HJAARN O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1ccc(Cn2cncn2)cc1 ZINC000095477444 568631028 /nfs/dbraw/zinc/63/10/28/568631028.db2.gz KXEFTHOBNJOZCZ-FQEVSTJZSA-N 0 0 419.916 4.594 50 0 HJAARN Cc1cc(C(=O)N2CCN(Cc3ccccn3)C[C@H]2C)sc1-c1ccc(F)cc1 ZINC000225384301 568633261 /nfs/dbraw/zinc/63/32/61/568633261.db2.gz ROXSKPNCVYCXEM-QGZVFWFLSA-N 0 0 409.530 4.604 50 0 HJAARN CC(=O)c1ccc(N2C(=O)N(Cc3ccc(C)cc3)c3ccccc3S2(=O)=O)cc1 ZINC000020618475 568638369 /nfs/dbraw/zinc/63/83/69/568638369.db2.gz MQRPNWAUJXTXBH-UHFFFAOYSA-N 0 0 420.490 4.533 50 0 HJAARN COC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000020676687 568639810 /nfs/dbraw/zinc/63/98/10/568639810.db2.gz BUNXBKYYXPBMKF-HYARGMPZSA-N 0 0 403.409 4.579 50 0 HJAARN C[C@H](c1cc2ccccc2o1)N(CCCN1CCOCC1)C(=S)Nc1ccccc1 ZINC000020729296 568640643 /nfs/dbraw/zinc/64/06/43/568640643.db2.gz DWCVJQUACQZHGW-LJQANCHMSA-N 0 0 423.582 4.915 50 0 HJAARN Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1I ZINC000020740792 568641252 /nfs/dbraw/zinc/64/12/52/568641252.db2.gz DOJAOHCRCNXLBZ-UHFFFAOYSA-N 0 0 419.184 4.548 50 0 HJAARN O=C(NCc1ccc2ccccc2c1)c1cc(S(=O)(=O)C2CCCC2)ccc1F ZINC000225478065 568641269 /nfs/dbraw/zinc/64/12/69/568641269.db2.gz QKUMMUOZXJAITC-UHFFFAOYSA-N 0 0 411.498 4.625 50 0 HJAARN Cc1c(C(=O)Nc2c(F)cccc2F)sc2ncnc(N3CCCC[C@H]3C)c12 ZINC000020757002 568641345 /nfs/dbraw/zinc/64/13/45/568641345.db2.gz AIXCJWWSXCORID-LLVKDONJSA-N 0 0 402.470 4.909 50 0 HJAARN O=C(CSc1nc2ccccc2nc1N1CCCC1)N[C@H]1CCCc2ccccc21 ZINC000020807664 568644007 /nfs/dbraw/zinc/64/40/07/568644007.db2.gz MERRZJQHKJPAJY-IBGZPJMESA-N 0 0 418.566 4.516 50 0 HJAARN CC(C)(CNC(=O)c1cccc(Cn2ccnc2)c1)c1ccc(Cl)c(Cl)c1 ZINC000225522675 568646647 /nfs/dbraw/zinc/64/66/47/568646647.db2.gz VZDHPHVGQAUAAX-UHFFFAOYSA-N 0 0 402.325 4.946 50 0 HJAARN COc1cccc(NC(=O)CSc2ccccc2C(=O)NC2CCC(C)CC2)c1 ZINC000020885828 568647381 /nfs/dbraw/zinc/64/73/81/568647381.db2.gz PTEQNPQMXFDCTO-UHFFFAOYSA-N 0 0 412.555 4.735 50 0 HJAARN Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4cc(C)ccc4C)ccc32)cc1 ZINC000020889175 568647437 /nfs/dbraw/zinc/64/74/37/568647437.db2.gz SBQIENFXJJFPBJ-UHFFFAOYSA-N 0 0 420.534 4.616 50 0 HJAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1cccc(C)c1)SCC(=O)N2 ZINC000020891100 568647820 /nfs/dbraw/zinc/64/78/20/568647820.db2.gz NJINDEVPRSUEEL-LJQANCHMSA-N 0 0 406.536 4.874 50 0 HJAARN COc1ccc(-n2nc(C)c3c2NC(=O)CS[C@H]3c2ccc(SC)cc2)cc1 ZINC000020892830 568648146 /nfs/dbraw/zinc/64/81/46/568648146.db2.gz MLVYNFQAEXYJTI-FQEVSTJZSA-N 0 0 411.552 4.686 50 0 HJAARN CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1 ZINC000225538712 568648797 /nfs/dbraw/zinc/64/87/97/568648797.db2.gz CASFTMNITSLUKL-UHFFFAOYSA-N 0 0 407.963 4.691 50 0 HJAARN CCOC(=O)CSc1nc2ccc(NC(=O)c3ccc(OCC)cc3)cc2s1 ZINC000020895289 568648885 /nfs/dbraw/zinc/64/88/85/568648885.db2.gz DTKVTYGIVZFSMU-UHFFFAOYSA-N 0 0 416.524 4.603 50 0 HJAARN COc1ccc(-c2noc(-c3cccc(NC(=O)c4cccc(OC)c4)c3)n2)cc1 ZINC000020900031 568649608 /nfs/dbraw/zinc/64/96/08/568649608.db2.gz AHUJPNSJAJAWTQ-UHFFFAOYSA-N 0 0 401.422 4.673 50 0 HJAARN CC(C)(C)c1ccc(C(=O)NC[C@H](c2cccnc2)N2CCc3ccccc3C2)cc1 ZINC000020902059 568650134 /nfs/dbraw/zinc/65/01/34/568650134.db2.gz CUZLPWPPBUJSMW-RUZDIDTESA-N 0 0 413.565 4.909 50 0 HJAARN Cc1sc2c(c1C)CSC(C(=O)N1CCN(c3cccc(Cl)c3)CC1)=C2 ZINC000020931238 568651860 /nfs/dbraw/zinc/65/18/60/568651860.db2.gz SGLDWZUMNSMTKC-UHFFFAOYSA-N 0 0 404.988 4.955 50 0 HJAARN CCOc1ccc(OCC)c(Nc2c3[nH]cccc-3c(=O)n2-c2ccc(OC)cc2)c1 ZINC000021106215 568667045 /nfs/dbraw/zinc/66/70/45/568667045.db2.gz JTIILBSQUDCZAW-HSZRJFAPSA-N 0 0 419.481 4.659 50 0 HJAARN CCOc1ccc(OCC)c(Nc2c3[nH]cccc-3c(=O)n2-c2ccc(OC)cc2)c1 ZINC000021106220 568667236 /nfs/dbraw/zinc/66/72/36/568667236.db2.gz JTIILBSQUDCZAW-QHCPKHFHSA-N 0 0 419.481 4.659 50 0 HJAARN CCOc1ccc(OCC)c(Nc2c3[nH]cccc-3c(=O)n2-c2ccc(C)cc2)c1 ZINC000021107703 568667541 /nfs/dbraw/zinc/66/75/41/568667541.db2.gz NVNBDEITCWPQQS-HSZRJFAPSA-N 0 0 403.482 4.959 50 0 HJAARN O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccnc(Cl)c1 ZINC000021123913 568669899 /nfs/dbraw/zinc/66/98/99/568669899.db2.gz LAPXWHUYHWKWGT-UHFFFAOYSA-N 0 0 402.885 4.577 50 0 HJAARN CC(C)(C)OC(=O)Nc1cccc2c1CCCN2C(=O)c1ccnc(OC2CCC2)c1 ZINC000095977360 568673504 /nfs/dbraw/zinc/67/35/04/568673504.db2.gz WUWWNETUHNPXKN-UHFFFAOYSA-N 0 0 423.513 4.953 50 0 HJAARN Cc1cc(S(=O)(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)ccc1F ZINC000021357314 568688402 /nfs/dbraw/zinc/68/84/02/568688402.db2.gz DKPDSJQSYHZUEC-UHFFFAOYSA-N 0 0 423.513 4.607 50 0 HJAARN Cc1ccc(S(=O)(=O)Nc2ccccc2CCc2nc3ccccc3[nH]2)c(C)c1 ZINC000021357228 568688424 /nfs/dbraw/zinc/68/84/24/568688424.db2.gz BJXQRJBVHZBYDT-UHFFFAOYSA-N 0 0 405.523 4.766 50 0 HJAARN COc1cccc(F)c1-c1nc(C)c(C(=O)NCCc2c[nH]c3ccccc23)s1 ZINC000012389675 568692381 /nfs/dbraw/zinc/69/23/81/568692381.db2.gz YCCXGFXHFARINJ-UHFFFAOYSA-N 0 0 409.486 4.720 50 0 HJAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2c[nH]nc2-c2ccccc2)S1 ZINC000096117083 568696470 /nfs/dbraw/zinc/69/64/70/568696470.db2.gz VMNABKYRQLHYGG-BEFAXECRSA-N 0 0 423.542 4.583 50 0 HJAARN O=C(c1cc(-c2cccs2)on1)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 ZINC000096119098 568698620 /nfs/dbraw/zinc/69/86/20/568698620.db2.gz HLRHQHOBKIIQGQ-LBPRGKRZSA-N 0 0 412.496 4.534 50 0 HJAARN COc1ccccc1Nc1nnc(SCC(=O)Nc2cccc3ncccc32)s1 ZINC000021399661 568700054 /nfs/dbraw/zinc/70/00/54/568700054.db2.gz DKMXTFKTJKVHAH-UHFFFAOYSA-N 0 0 423.523 4.569 50 0 HJAARN COC(=O)c1ccc2oc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nc2c1 ZINC000096191888 568703627 /nfs/dbraw/zinc/70/36/27/568703627.db2.gz GXSDMIJALMZVQT-UHFFFAOYSA-N 0 0 411.266 4.652 50 0 HJAARN COCCn1ccc2ccc(C(=O)N[C@H]3CCCc4c5cc(OC)ccc5[nH]c43)cc21 ZINC000096220930 568704914 /nfs/dbraw/zinc/70/49/14/568704914.db2.gz AEVRZMAHBWJPRW-QFIPXVFZSA-N 0 0 417.509 4.585 50 0 biogenic HJAARN CC1(C)Cc2ccccc2C2=C(c3ccc4ccccc4n3)[C@](O)(C(F)(F)F)C(=O)N21 ZINC000012402476 568710090 /nfs/dbraw/zinc/71/00/90/568710090.db2.gz RUOVXVBTVMYFFL-HSZRJFAPSA-N 0 0 424.422 4.573 50 0 HJAARN C[C@@H]1CCCCN1C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000000844977 568710205 /nfs/dbraw/zinc/71/02/05/568710205.db2.gz GYJRMXOWZROTDC-GFCCVEGCSA-N 0 0 406.383 4.569 50 0 HJAARN CCOC(=O)c1c(NC(=O)CC)sc2c1CC[C@H](Sc1ccccc1)C2=O ZINC000000846744 568710600 /nfs/dbraw/zinc/71/06/00/568710600.db2.gz MYJPLTUPQWUJOI-AWEZNQCLSA-N 0 0 403.525 4.563 50 0 HJAARN O=C(C[C@@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O)Nc1ccc(F)c(F)c1 ZINC000021530380 568710636 /nfs/dbraw/zinc/71/06/36/568710636.db2.gz FJHQPYDXXFZJPL-NRFANRHFSA-N 0 0 410.395 4.830 50 0 HJAARN O=C(CCc1ccc2c(c1)OCCO2)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000021531307 568711002 /nfs/dbraw/zinc/71/10/02/568711002.db2.gz NYDJPYKIUANLDH-UHFFFAOYSA-N 0 0 400.434 4.837 50 0 HJAARN CC[C@H](C)[C@H](NC(=O)COCc1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096276097 568715168 /nfs/dbraw/zinc/71/51/68/568715168.db2.gz ITMNYIXIDBBYNS-YWZLYKJASA-N 0 0 413.905 4.810 50 0 HJAARN Cc1cccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@H](c4cccs4)[C@@H]3C2=O)c1 ZINC000229968885 568716384 /nfs/dbraw/zinc/71/63/84/568716384.db2.gz FNZHQOGUUKMVSU-XUVXKRRUSA-N 0 0 424.909 4.761 50 0 HJAARN Cc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3F)c3cc(Cl)ccc32)cc1 ZINC000012414517 568717101 /nfs/dbraw/zinc/71/71/01/568717101.db2.gz HSBRCKLCTUREEQ-UHFFFAOYSA-N 0 0 421.859 4.803 50 0 HJAARN CC[C@@H](C)[C@@H](NC(=O)COc1ccc(Cl)cc1)c1nc(-c2ccc(C)cc2)no1 ZINC000096279016 568717278 /nfs/dbraw/zinc/71/72/78/568717278.db2.gz WHXJAVMASOVZBR-FOIQADDNSA-N 0 0 413.905 4.981 50 0 HJAARN Cc1oc(-c2ccc(C)cc2)nc1COC(=O)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000012415619 568717746 /nfs/dbraw/zinc/71/77/46/568717746.db2.gz KAPQFEQRVALYNU-UHFFFAOYSA-N 0 0 422.872 4.858 50 0 HJAARN CCCCNC(=O)N1C[C@@H](C(=O)Nc2ccc(OC)cc2)CC[C@@H]1c1ccccc1 ZINC000096280533 568717911 /nfs/dbraw/zinc/71/79/11/568717911.db2.gz SWRPLXNOMWRYMJ-SIKLNZKXSA-N 0 0 409.530 4.597 50 0 HJAARN CCCCNC(=O)N1C[C@H](C(=O)Nc2ccc(OC)cc2)CC[C@H]1c1ccccc1 ZINC000096280534 568718037 /nfs/dbraw/zinc/71/80/37/568718037.db2.gz SWRPLXNOMWRYMJ-KNQAVFIVSA-N 0 0 409.530 4.597 50 0 HJAARN O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000096281360 568718717 /nfs/dbraw/zinc/71/87/17/568718717.db2.gz YQXAWRBSVCBOJJ-HNNXBMFYSA-N 0 0 416.321 4.716 50 0 HJAARN NC(=O)c1ccccc1CSc1nnc(-c2cccs2)n1-c1ccccc1F ZINC000096289375 568719759 /nfs/dbraw/zinc/71/97/59/568719759.db2.gz BZTOTACOLYIEKU-UHFFFAOYSA-N 0 0 410.499 4.526 50 0 HJAARN Cc1ccc(-c2noc([C@@H](NC(=O)COCc3ccccc3)C(C)C)n2)cc1Cl ZINC000096293668 568721946 /nfs/dbraw/zinc/72/19/46/568721946.db2.gz CHDQSJQPBAYDNQ-FQEVSTJZSA-N 0 0 413.905 4.729 50 0 HJAARN CCCCN(CCc1nc(-c2ccc(Br)cc2)no1)C(=O)c1ccco1 ZINC000096293813 568722036 /nfs/dbraw/zinc/72/20/36/568722036.db2.gz WPGCXUCBQFSCAR-UHFFFAOYSA-N 0 0 418.291 4.577 50 0 HJAARN O=C(NCc1cccs1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2 ZINC000000865672 568722981 /nfs/dbraw/zinc/72/29/81/568722981.db2.gz SQOWGZOEORXAOR-GDBMZVCRSA-N 0 0 406.433 4.535 50 0 HJAARN O=c1[nH]c2c(s1)[C@H]1c3ccccc3OC(=O)[C@H]1[C@H](c1ccc(Cl)cc1)S2 ZINC000096306213 568723658 /nfs/dbraw/zinc/72/36/58/568723658.db2.gz IPSHIDQQUQICMR-ZNMIVQPWSA-N 0 0 401.896 4.604 50 0 HJAARN CCC(CC)C(=O)Nc1cc(C)nn1-c1nc(-c2ccc(OC)c(OC)c2)cs1 ZINC000012442224 568724661 /nfs/dbraw/zinc/72/46/61/568724661.db2.gz UBDAHRUDWJRXQN-UHFFFAOYSA-N 0 0 414.531 4.696 50 0 HJAARN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@H](c4cccs4)[C@H]3C2=O)cc1 ZINC000238900800 568727402 /nfs/dbraw/zinc/72/74/02/568727402.db2.gz KCHGDRJDKWKBQG-VAMGGRTRSA-N 0 0 424.909 4.761 50 0 HJAARN O=C(Cc1ccccc1Cl)NCCn1c(CCc2ccccc2)nc2ccccc21 ZINC000096320577 568728454 /nfs/dbraw/zinc/72/84/54/568728454.db2.gz HJKNOVQECQWVTD-UHFFFAOYSA-N 0 0 417.940 4.834 50 0 HJAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)cc2)cc1OC ZINC000239358355 568729034 /nfs/dbraw/zinc/72/90/34/568729034.db2.gz NCAORIQGIQUYGN-RDPSFJRHSA-N 0 0 420.896 5.600 50 0 HJAARN CN(Cc1ccccc1)C(=O)CSCc1nc2cccnc2n1C1CCCCC1 ZINC000021650914 568729078 /nfs/dbraw/zinc/72/90/78/568729078.db2.gz CCXCCOSDHDZMDP-UHFFFAOYSA-N 0 0 408.571 4.828 50 0 HJAARN C[C@@H](Cc1ccco1)NC(=O)CSCc1nc2cccnc2n1C1CCCCC1 ZINC000021651009 568729105 /nfs/dbraw/zinc/72/91/05/568729105.db2.gz NRKZMLCPPTYOMN-INIZCTEOSA-N 0 0 412.559 4.510 50 0 HJAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc(Cl)c2)cc1OC ZINC000239402704 568729251 /nfs/dbraw/zinc/72/92/51/568729251.db2.gz RBUYCPVXWCPLLM-RDPSFJRHSA-N 0 0 420.896 5.600 50 0 HJAARN COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2c(F)cccc2Cl)c1 ZINC000239412445 568729407 /nfs/dbraw/zinc/72/94/07/568729407.db2.gz SRURWPSNHLRWPG-OFNKIYASSA-N 0 0 408.860 5.730 50 0 HJAARN O=C(CC1CCCCC1)Nc1nnc(SCc2nnc(-c3ccccc3)o2)s1 ZINC000021654850 568731210 /nfs/dbraw/zinc/73/12/10/568731210.db2.gz YVZRICLUZCEMCD-UHFFFAOYSA-N 0 0 415.544 4.789 50 0 HJAARN O=C(NC1CCCCC1)N1CCc2c(sc3nc(-c4ccc(Cl)cc4)nn23)C1 ZINC000096323801 568732965 /nfs/dbraw/zinc/73/29/65/568732965.db2.gz LHHALXZCQPGNNZ-UHFFFAOYSA-N 0 0 415.950 4.512 50 0 HJAARN COc1ccccc1NCC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000021659296 568735128 /nfs/dbraw/zinc/73/51/28/568735128.db2.gz PTUZGZYMWRYBJJ-UHFFFAOYSA-N 0 0 410.477 4.870 50 0 HJAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 ZINC000245225985 568735785 /nfs/dbraw/zinc/73/57/85/568735785.db2.gz COSYEDSFRVNBRT-KPEUIFRASA-N 0 0 406.452 4.947 50 0 HJAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3sccc3C)sc2c1 ZINC000021661097 568735939 /nfs/dbraw/zinc/73/59/39/568735939.db2.gz KEMHLKDCQTUHHG-ZDUSSCGKSA-N 0 0 410.524 4.643 50 0 HJAARN COc1ccc2c(c1)Cc1sc(NC(=O)c3cccc(Br)c3)nc1-2 ZINC000003651700 568736230 /nfs/dbraw/zinc/73/62/30/568736230.db2.gz YNELWNRWAFMXHU-UHFFFAOYSA-N 0 0 401.285 4.738 50 0 aggregator HJAARN Cc1ccc(CNC(=O)c2[nH]c3ccc(C)cc3c2NC(=O)c2ccc(C)cc2)o1 ZINC000096332583 568736350 /nfs/dbraw/zinc/73/63/50/568736350.db2.gz SEGZJXCKEPCRJN-UHFFFAOYSA-N 0 0 401.466 4.868 50 0 HJAARN CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccc(F)cc2)C12CCCC2 ZINC000096344613 568737441 /nfs/dbraw/zinc/73/74/41/568737441.db2.gz IIRRUWVZQDVWQV-QFIPXVFZSA-N 0 0 408.517 4.794 50 0 HJAARN CCc1c2cc(C)ccc2[nH]c1-c1nc(CCN(C)C(=O)c2cccc(C)c2)no1 ZINC000096349694 568738363 /nfs/dbraw/zinc/73/83/63/568738363.db2.gz PUVIOKLSZRCTCE-UHFFFAOYSA-N 0 0 402.498 4.712 50 0 HJAARN O=C(Nc1ccccc1Cc1nc(C2CC2)no1)c1cc(Br)cs1 ZINC000096356524 568738548 /nfs/dbraw/zinc/73/85/48/568738548.db2.gz XWMBOSURDGXTFZ-UHFFFAOYSA-N 0 0 404.289 4.614 50 0 HJAARN COc1ccc(C(=O)CSc2nnc(-c3ccc(O)cc3)n2-c2ccccc2)cc1 ZINC000000886661 568739141 /nfs/dbraw/zinc/73/91/41/568739141.db2.gz NLFWJPYMGIGZGY-UHFFFAOYSA-N 0 0 417.490 4.624 50 0 HJAARN CCOc1ccccc1NC(=O)Nc1cccc(-c2nccnc2N2CCCC2)c1 ZINC000096386544 568743104 /nfs/dbraw/zinc/74/31/04/568743104.db2.gz LWDFLVIZBBWOFI-UHFFFAOYSA-N 0 0 403.486 4.787 50 0 HJAARN COc1cccc(-c2cc(C3CCN(C(=O)c4c(F)cccc4Cl)CC3)[nH]n2)c1 ZINC000096386778 568743528 /nfs/dbraw/zinc/74/35/28/568743528.db2.gz JDHCLWATTVCKQF-UHFFFAOYSA-N 0 0 413.880 4.898 50 0 HJAARN COc1cccc(-c2cc(C3CCN(C(=O)Nc4ccc(OC)cc4C)CC3)[nH]n2)c1 ZINC000096386833 568743581 /nfs/dbraw/zinc/74/35/81/568743581.db2.gz XJAJXEHBGARVBK-UHFFFAOYSA-N 0 0 420.513 4.814 50 0 HJAARN Cc1oc2ccn(Cc3ccc(F)cc3)c(=O)c2c1C(=O)N[C@H](C)c1ccccc1 ZINC000096396459 568744868 /nfs/dbraw/zinc/74/48/68/568744868.db2.gz FTILEMJOJAVRJN-OAHLLOKOSA-N 0 0 404.441 4.581 50 0 HJAARN Cc1ccc(NC(=O)Nc2ccc3nc(S(=O)(=O)C(C)C)sc3c2)cc1F ZINC000096399692 568748896 /nfs/dbraw/zinc/74/88/96/568748896.db2.gz GXEWYJRQNZJHPG-UHFFFAOYSA-N 0 0 407.492 4.570 50 0 HJAARN CC(C)CS(=O)(=O)c1nc2ccc(NC(=O)Nc3cccc(F)c3)cc2s1 ZINC000096399744 568749098 /nfs/dbraw/zinc/74/90/98/568749098.db2.gz FEOTYTSUCBTRCV-UHFFFAOYSA-N 0 0 407.492 4.509 50 0 HJAARN Cc1cccc(NC(=O)Nc2ccc3nc(S(=O)(=O)CC(C)C)sc3c2)c1 ZINC000096399725 568749132 /nfs/dbraw/zinc/74/91/32/568749132.db2.gz UUMWQLGZXUMIKR-UHFFFAOYSA-N 0 0 403.529 4.678 50 0 HJAARN C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000000900225 568749458 /nfs/dbraw/zinc/74/94/58/568749458.db2.gz NWTBIIZJXWIGKI-KRWDZBQOSA-N 0 0 415.522 4.508 50 0 HJAARN O=C(COc1ccccc1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000021715482 568749559 /nfs/dbraw/zinc/74/95/59/568749559.db2.gz LCDZDZUADSQBNL-VWLOTQADSA-N 0 0 400.453 4.860 50 0 HJAARN CCOc1cc(C(=O)Nc2n[nH]c(C)c2-c2ccccc2)cc(OCC)c1OCC ZINC000096400549 568749769 /nfs/dbraw/zinc/74/97/69/568749769.db2.gz YJEKWOWBDRFKPO-UHFFFAOYSA-N 0 0 409.486 4.834 50 0 HJAARN Cc1nn(-c2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)c2c1C(=O)CC(C)(C)C2 ZINC000021717314 568749993 /nfs/dbraw/zinc/74/99/93/568749993.db2.gz SUQNNOOIWHZOCV-UHFFFAOYSA-N 0 0 421.928 4.919 50 0 HJAARN COc1ccccc1[C@H](CCN(Cc1ccccc1)C(C)=O)c1ccc2c(c1)OCO2 ZINC000000915656 568750411 /nfs/dbraw/zinc/75/04/11/568750411.db2.gz WVYDHECISOYMRV-JOCHJYFZSA-N 0 0 417.505 4.995 50 0 biogenic HJAARN COc1ccc(NC(=O)[C@@H](C)n2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1 ZINC000000937727 568752147 /nfs/dbraw/zinc/75/21/47/568752147.db2.gz QTBCYGHWHOQKBB-CQSZACIVSA-N 0 0 419.506 4.642 50 0 HJAARN COc1ccc(Cl)cc1N1C(=O)C(Cl)=C(Nc2ccc(F)c(Cl)c2)C1=O ZINC000000938500 568752435 /nfs/dbraw/zinc/75/24/35/568752435.db2.gz LUKNTPCYCNEKDD-UHFFFAOYSA-N 0 0 415.635 4.577 50 0 HJAARN Cc1nc(COc2cc(C)ccc2C)sc1C(=O)Nc1nnc(C2CC2)s1 ZINC000021789192 568752921 /nfs/dbraw/zinc/75/29/21/568752921.db2.gz GFBTVIHNBSNDAR-UHFFFAOYSA-N 0 0 400.529 4.629 50 0 HJAARN O=C(COc1ccc(Cl)cc1Cl)Oc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000000943308 568753469 /nfs/dbraw/zinc/75/34/69/568753469.db2.gz BGGHTHNYYHJCEI-UHFFFAOYSA-N 0 0 405.233 4.573 50 0 HJAARN CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccccc1C)cc2Cl ZINC000000944068 568753508 /nfs/dbraw/zinc/75/35/08/568753508.db2.gz FYNXXXFLLNIRPU-UHFFFAOYSA-N 0 0 407.875 4.681 50 0 HJAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1Cc1cccs1 ZINC000021855761 568754757 /nfs/dbraw/zinc/75/47/57/568754757.db2.gz XECZJXQJLOWVIO-DEOSSOPVSA-N 0 0 421.566 4.566 50 0 HJAARN CC1=Nc2ncnn2[C@@H](c2ccc(Cl)cc2Cl)C1C(=O)OCc1ccccc1 ZINC000000949724 568755406 /nfs/dbraw/zinc/75/54/06/568755406.db2.gz USFJHLJNWJYQJZ-SFHVURJKSA-N 0 0 415.280 4.617 50 0 HJAARN CC[C@@H](C(=O)N(Cc1nc2nc(C)cc(C)n2n1)c1ccc(C)cc1)c1ccccc1 ZINC000086066073 568755594 /nfs/dbraw/zinc/75/55/94/568755594.db2.gz GQFKQPQJYUUEBW-JOCHJYFZSA-N 0 0 413.525 4.777 50 0 HJAARN CCCN1C(=O)c2ccc(-c3ccccc3)n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021869288 568756111 /nfs/dbraw/zinc/75/61/11/568756111.db2.gz RGEOYVYVRWUVLX-RUZDIDTESA-N 0 0 407.558 4.619 50 0 HJAARN CCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2cccc(Cl)c2C)C1 ZINC000086077319 568756200 /nfs/dbraw/zinc/75/62/00/568756200.db2.gz DVIAXHRPMVLHOL-INIZCTEOSA-N 0 0 424.932 4.845 50 0 HJAARN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)Nc1nnc([C@H]2CCCO2)s1 ZINC000000959532 568758240 /nfs/dbraw/zinc/75/82/40/568758240.db2.gz VITPXVFGZLQLMP-YFPIXMDGSA-N 0 0 407.495 4.621 50 0 HJAARN COC(=O)c1coc(CN(C(=O)Nc2ccc(C)c(Cl)c2)C2CCCCC2)n1 ZINC000000962962 568758457 /nfs/dbraw/zinc/75/84/57/568758457.db2.gz FPTQQQOSXUDZDH-UHFFFAOYSA-N 0 0 405.882 4.790 50 0 HJAARN CCOC(=O)C1CCC(CNC(=O)N2Cc3ccccc3-n3cccc3[C@@H]2CC)CC1 ZINC000021890259 568759035 /nfs/dbraw/zinc/75/90/35/568759035.db2.gz VQZOCLKJMXCTLA-GRERDSQWSA-N 0 0 423.557 4.823 50 0 HJAARN O=S(=O)(c1ccccc1)c1cnc2cc(-c3ccccc3)nn2c1-c1ccccc1 ZINC000000988028 568760661 /nfs/dbraw/zinc/76/06/61/568760661.db2.gz KHPCUWVZYLONPS-UHFFFAOYSA-N 0 0 411.486 4.896 50 0 HJAARN CCOc1cc(Br)c(/C=C2\SC(=O)N([C@@H](C)CC)C2=O)cc1OC ZINC000001008448 568761892 /nfs/dbraw/zinc/76/18/92/568761892.db2.gz JIPTXECTWDZTBM-SOOGHKCXSA-N 0 0 414.321 4.691 50 0 HJAARN Cc1cccc(NC(=O)O[C@H](C)CNC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)c1C ZINC000096582246 568762686 /nfs/dbraw/zinc/76/26/86/568762686.db2.gz NGJWQIMGJHDJEV-IFIJOSMWSA-N 0 0 413.345 4.948 50 0 HJAARN CC[C@H](C)COC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)[C@@H](O)C(=O)OC ZINC000334163121 568763867 /nfs/dbraw/zinc/76/38/67/568763867.db2.gz LZIZKTVPTAHZCV-LIRRHRJNSA-N 0 0 411.325 4.834 50 0 HJAARN Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c(C)c1 ZINC000001056072 568764327 /nfs/dbraw/zinc/76/43/27/568764327.db2.gz GZVFHNAMQFJKRY-HSZRJFAPSA-N 0 0 402.494 4.780 50 0 biogenic HJAARN CC(=O)c1ccc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)s1 ZINC000022232811 568765471 /nfs/dbraw/zinc/76/54/71/568765471.db2.gz NTNINCBCGBAEHZ-UHFFFAOYSA-N 0 0 415.518 4.793 50 0 HJAARN CCOc1ccc(S(=O)(=O)NCCc2c(C)[nH]c3c2cccc3C)c2ccccc12 ZINC000001074491 568767037 /nfs/dbraw/zinc/76/70/37/568767037.db2.gz SWHRJLGNNVGJTJ-UHFFFAOYSA-N 0 0 422.550 4.858 50 0 HJAARN CC(C)(C)c1cc(Cl)c(O)c(NC(=O)c2cc(-n3cnnc3)ccc2Cl)c1 ZINC000001078260 568767258 /nfs/dbraw/zinc/76/72/58/568767258.db2.gz IUBQHJKXWHMEIN-UHFFFAOYSA-N 0 0 405.285 4.830 50 0 HJAARN c1cn(-c2nc(N(c3ccccc3)c3ccccc3)nc(N3CCCCCC3)n2)cn1 ZINC000001080487 568767706 /nfs/dbraw/zinc/76/77/06/568767706.db2.gz RHPYWZACEMTDJT-UHFFFAOYSA-N 0 0 411.513 4.908 50 0 HJAARN COc1ccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(OC)cc2)cc1 ZINC000001086614 568768298 /nfs/dbraw/zinc/76/82/98/568768298.db2.gz SYXZAHLLRXJCGZ-RUZDIDTESA-N 0 0 412.489 4.973 50 0 biogenic HJAARN COc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@@H](C)C3)cc1OC ZINC000001088605 568769066 /nfs/dbraw/zinc/76/90/66/568769066.db2.gz KZZATVYJHGDJSE-CYBMUJFWSA-N 0 0 417.527 4.708 50 0 HJAARN CC1(C)COc2ccc(NC(=O)NC(c3ccccc3)c3ccccc3)cc2NC1=O ZINC000022509224 568769166 /nfs/dbraw/zinc/76/91/66/568769166.db2.gz QTWRNYSKTYIKRX-UHFFFAOYSA-N 0 0 415.493 4.955 50 0 HJAARN O=C(CCSc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000001096472 568769566 /nfs/dbraw/zinc/76/95/66/568769566.db2.gz FWVKGLMDJOKJOY-UHFFFAOYSA-N 0 0 414.914 4.984 50 0 HJAARN COc1ccc(Oc2coc3cc(OCC(=O)c4ccccc4)ccc3c2=O)cc1 ZINC000001129115 568773060 /nfs/dbraw/zinc/77/30/60/568773060.db2.gz HSOPNKQYQDWYBY-UHFFFAOYSA-N 0 0 402.402 4.856 50 0 biogenic HJAARN O=C(Cn1c2ccccc2n2nc(-c3ccco3)nc12)c1ccc(Br)cc1 ZINC000002472522 568773772 /nfs/dbraw/zinc/77/37/72/568773772.db2.gz XVTFBGIQNDUFOG-UHFFFAOYSA-N 0 0 421.254 4.589 50 0 HJAARN COc1ccc(-n2nc3c(c2NC(=O)c2cc(Cl)ccc2OC)CSC3)cc1 ZINC000002474905 568773810 /nfs/dbraw/zinc/77/38/10/568773810.db2.gz KFIJCSRTZBVEAH-UHFFFAOYSA-N 0 0 415.902 4.542 50 0 HJAARN Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)nc1 ZINC000002493295 568776193 /nfs/dbraw/zinc/77/61/93/568776193.db2.gz NHXOKEXCWWWXMU-FQEVSTJZSA-N 0 0 402.837 4.900 50 0 HJAARN O=C(NCc1cccnc1)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000028200519 568782226 /nfs/dbraw/zinc/78/22/26/568782226.db2.gz FCRKMIMLSUSLON-UHFFFAOYSA-N 0 0 402.885 4.577 50 0 HJAARN COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4ccc(F)cc4Cl)C3=O)ccc2c1 ZINC000002619662 568786826 /nfs/dbraw/zinc/78/68/26/568786826.db2.gz QIFSKNBHULSZMZ-JOCHJYFZSA-N 0 0 412.848 4.608 50 0 HJAARN CCOCCCn1c(SCC(=O)c2cc(C)c(C)cc2C)nc2ccccc2c1=O ZINC000002623016 568788351 /nfs/dbraw/zinc/78/83/51/568788351.db2.gz ZCKOYRGMKRCYML-UHFFFAOYSA-N 0 0 424.566 4.723 50 0 HJAARN O=C1OCC[C@H]1Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000002626152 568789270 /nfs/dbraw/zinc/78/92/70/568789270.db2.gz QZAZQYASVLZKJQ-OAHLLOKOSA-N 0 0 406.294 4.649 50 0 HJAARN COC[C@@H](C)n1c(C)cc(C(=O)CSc2nnc(Nc3ccccc3)s2)c1C ZINC000002628168 568790038 /nfs/dbraw/zinc/79/00/38/568790038.db2.gz ICWXBCSUYQWNGN-CQSZACIVSA-N 0 0 416.572 4.882 50 0 HJAARN O=C(Nc1ccccc1Cc1ccccc1)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000002632290 568791187 /nfs/dbraw/zinc/79/11/87/568791187.db2.gz WCVQIILIQBTCNK-UHFFFAOYSA-N 0 0 423.516 4.966 50 0 HJAARN COc1ccc(-c2nnc(SCC(=O)c3ccc(F)c(F)c3)n2C(C)C)cc1 ZINC000002636844 568792389 /nfs/dbraw/zinc/79/23/89/568792389.db2.gz FBMBEPVKJLSESD-UHFFFAOYSA-N 0 0 403.454 4.788 50 0 HJAARN Nc1c2cc3c(nc2sc1C(=O)Nc1ccc(C(F)(F)F)cn1)CCCCC3 ZINC000215708397 568792811 /nfs/dbraw/zinc/79/28/11/568792811.db2.gz OZNJKXCGSFTKFC-UHFFFAOYSA-N 0 0 406.433 4.814 50 0 HJAARN C[C@@H](OC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)C(=O)NC1CCCC1 ZINC000002640554 568793456 /nfs/dbraw/zinc/79/34/56/568793456.db2.gz LJUJCTCFOSTOEQ-CQSZACIVSA-N 0 0 405.416 4.977 50 0 HJAARN C[C@@H](OC(=O)c1c2ccccc2nc2c1C[C@@H](C)CC2)C(=O)NCCC1=CCCCC1 ZINC000002644100 568794341 /nfs/dbraw/zinc/79/43/41/568794341.db2.gz IBSSVQCDZZOUOA-ZWKOTPCHSA-N 0 0 420.553 4.912 50 0 HJAARN C[C@H](OC(=O)c1c2ccccc2nc2c1C[C@@H](C)CC2)C(=O)NCCC1=CCCCC1 ZINC000002644098 568794375 /nfs/dbraw/zinc/79/43/75/568794375.db2.gz IBSSVQCDZZOUOA-ROUUACIJSA-N 0 0 420.553 4.912 50 0 HJAARN CC(=O)Nc1sc2c(c1C(=O)OCCCC(=O)c1ccc(F)cc1)CCCC2 ZINC000002644169 568794607 /nfs/dbraw/zinc/79/46/07/568794607.db2.gz UWVHOTXTMWVFGT-UHFFFAOYSA-N 0 0 403.475 4.544 50 0 HJAARN O=C(OCc1nnc(-c2ccccc2)o1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000002645218 568794825 /nfs/dbraw/zinc/79/48/25/568794825.db2.gz WIHADWRSIOVNMX-UHFFFAOYSA-N 0 0 422.444 4.946 50 0 HJAARN CC(C)N(C(=O)COC(=O)c1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000002649344 568795903 /nfs/dbraw/zinc/79/59/03/568795903.db2.gz STILHDSDMPEGJL-UHFFFAOYSA-N 0 0 403.478 4.864 50 0 HJAARN O=C(CSc1nnc(NC2CCCCC2)s1)Nc1ccc(OC(F)F)cc1 ZINC000002653542 568797189 /nfs/dbraw/zinc/79/71/89/568797189.db2.gz KRBYHERXBVTIPH-UHFFFAOYSA-N 0 0 414.503 4.615 50 0 HJAARN CCSc1nnc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)s1 ZINC000002657498 568798064 /nfs/dbraw/zinc/79/80/64/568798064.db2.gz NYZQQBAGQGYWCF-UHFFFAOYSA-N 0 0 407.524 4.755 50 0 HJAARN O=c1[nH]c(SCc2cccc(C(F)(F)F)c2)nc2c1cnn2-c1ccc(F)cc1 ZINC000002717969 568802699 /nfs/dbraw/zinc/80/26/99/568802699.db2.gz GIPBXYIJSVYOGR-UHFFFAOYSA-N 0 0 420.391 4.971 50 0 HJAARN COC(=O)c1ccccc1NC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 ZINC000028701094 568802943 /nfs/dbraw/zinc/80/29/43/568802943.db2.gz ZSEMMCRQTVOPPJ-UHFFFAOYSA-N 0 0 423.469 4.633 50 0 HJAARN COc1ccccc1C(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000002724568 568803703 /nfs/dbraw/zinc/80/37/03/568803703.db2.gz OEALTTCYPMEUAI-QFIPXVFZSA-N 0 0 406.869 4.533 50 0 HJAARN Cc1ccc(CNC(=O)c2cnn3c2nc(-c2ccc(C)cc2)cc3C(F)F)cc1 ZINC000002769887 568807652 /nfs/dbraw/zinc/80/76/52/568807652.db2.gz XLVQVMCCPLFREJ-UHFFFAOYSA-N 0 0 406.436 4.881 50 0 HJAARN O=S(=O)(Nc1nn(Cc2ccccc2Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000002778821 568808191 /nfs/dbraw/zinc/80/81/91/568808191.db2.gz OSEPHQNPSXQLGR-UHFFFAOYSA-N 0 0 416.717 4.692 50 0 HJAARN O=C(OCc1ccc(Br)cc1)c1ccc(Cn2cc(Cl)cn2)cc1 ZINC000002782346 568808735 /nfs/dbraw/zinc/80/87/35/568808735.db2.gz CPYXSOPULOHTRG-UHFFFAOYSA-N 0 0 405.679 4.704 50 0 HJAARN Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CC1)N2C(=O)c1cc(-c2cccs2)on1 ZINC000002803004 568811196 /nfs/dbraw/zinc/81/11/96/568811196.db2.gz AKFXAMXYHRGOSQ-XJKSGUPXSA-N 0 0 422.432 4.841 50 0 HJAARN O=S(=O)(Nc1nn(Cc2ccc(Cl)cc2)cc1Cl)c1ccc(Cl)cc1 ZINC000002803922 568811452 /nfs/dbraw/zinc/81/14/52/568811452.db2.gz GLEKTJKQQQPBSC-UHFFFAOYSA-N 0 0 416.717 4.692 50 0 HJAARN Cc1c(C(=O)Nc2cc(C)cc(C)c2)sc2ncn(Cc3cccc(F)c3)c(=O)c12 ZINC000002911217 568815888 /nfs/dbraw/zinc/81/58/88/568815888.db2.gz MELCDOAFGXEOMX-UHFFFAOYSA-N 0 0 421.497 4.823 50 0 HJAARN Fc1ccc(Br)cc1[C@H]1C[C@H](c2ccc(Cl)cc2)Nc2ncnn21 ZINC000002914758 568816277 /nfs/dbraw/zinc/81/62/77/568816277.db2.gz PDPQORMSNISQHG-HZPDHXFCSA-N 0 0 407.674 4.979 50 0 HJAARN Cc1cccn2c(=O)c3cc(C(=O)Nc4ccc(Oc5ccccc5)cc4)n(C)c3nc12 ZINC000002917408 568816368 /nfs/dbraw/zinc/81/63/68/568816368.db2.gz NMHUVPRUMDTARQ-UHFFFAOYSA-N 0 0 424.460 4.539 50 0 HJAARN CCN(CC)c1ncnc2sc(C(=O)N3CCC(Cc4ccccc4)CC3)c(C)c21 ZINC000002925881 568817315 /nfs/dbraw/zinc/81/73/15/568817315.db2.gz KRUOWCGUVLKKSQ-UHFFFAOYSA-N 0 0 422.598 4.941 50 0 HJAARN COC(=O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@H](OC(C)=O)[C@@]21C ZINC000257348388 568817532 /nfs/dbraw/zinc/81/75/32/568817532.db2.gz FFNJULBVNGBVGK-FIFRAIOYSA-N 0 0 418.574 4.565 50 0 HJAARN CC(=O)O/C(C)=C1\CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]12C ZINC000257347483 568817533 /nfs/dbraw/zinc/81/75/33/568817533.db2.gz IYHMGYUYUFEWDP-IPJAOUAXSA-N 0 0 416.558 4.977 50 0 HJAARN CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257347978 568817547 /nfs/dbraw/zinc/81/75/47/568817547.db2.gz AELZDZIWKOZSSW-NZIDIZIFSA-N 0 0 418.574 4.709 50 0 HJAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)NCCc2ccccc2)c1C ZINC000002929675 568818161 /nfs/dbraw/zinc/81/81/61/568818161.db2.gz CFVVXMFOQQUVLW-UHFFFAOYSA-N 0 0 422.500 4.528 50 0 HJAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)N2[C@H](C)CCC[C@@H]2C)c1C ZINC000002929780 568818173 /nfs/dbraw/zinc/81/81/73/568818173.db2.gz MRJMDACWXPSLFK-IYBDPMFKSA-N 0 0 400.494 4.569 50 0 HJAARN CCCNC(=O)c1csc(-c2ccc(OCc3cc(F)cc(F)c3)cc2F)n1 ZINC000034713527 568818916 /nfs/dbraw/zinc/81/89/16/568818916.db2.gz DSOVOZJXXRJBMZ-UHFFFAOYSA-N 0 0 406.429 4.946 50 0 HJAARN CCCCNc1nc(SCC(=O)Nc2ccc(OCC)cc2)nc2ccccc21 ZINC000002941562 568819332 /nfs/dbraw/zinc/81/93/32/568819332.db2.gz OERKXVYBMXXJST-UHFFFAOYSA-N 0 0 410.543 4.971 50 0 HJAARN CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)COc1ccccc1)c1ccccc21 ZINC000001193015 568823042 /nfs/dbraw/zinc/82/30/42/568823042.db2.gz ZZCHUGCIBYMXRL-UHFFFAOYSA-N 0 0 417.461 4.801 50 0 HJAARN C[C@@H](NC(=O)Nc1ccccc1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000057015939 568823329 /nfs/dbraw/zinc/82/33/29/568823329.db2.gz KIHKEBIYSKTKBZ-XXBNENTESA-N 0 0 420.582 4.822 50 0 HJAARN Cn1ccnc1[C@H](NC(=O)NCc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000029316962 568824167 /nfs/dbraw/zinc/82/41/67/568824167.db2.gz XBRVLKCUXAHQLJ-QGZVFWFLSA-N 0 0 422.838 4.681 50 0 HJAARN COc1cc(C(=O)Nc2c(-c3ccccc3)nc3c(C)cccn32)cc(OC)c1OC ZINC000005827170 568824526 /nfs/dbraw/zinc/82/45/26/568824526.db2.gz FXVYXDMLXPUYGO-UHFFFAOYSA-N 0 0 417.465 4.588 50 0 HJAARN CN(Cc1cnn(-c2ccccc2)c1)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000057270785 568825475 /nfs/dbraw/zinc/82/54/75/568825475.db2.gz PJHCICUBIVKZPF-DEOSSOPVSA-N 0 0 414.484 4.823 50 0 HJAARN Cc1ccc(-c2csc3[nH]c(CN4CCC[C@@H]4c4cccn4C)nc(=O)c23)s1 ZINC000057292112 568826236 /nfs/dbraw/zinc/82/62/36/568826236.db2.gz AGKXGVQDRHKCCJ-MRXNPFEDSA-N 0 0 410.568 4.697 50 0 HJAARN C[C@H](NC(c1ccccc1)c1ccccc1)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000057315561 568826876 /nfs/dbraw/zinc/82/68/76/568826876.db2.gz WUFXIJDSHGUTJC-SFHVURJKSA-N 0 0 413.521 4.518 50 0 HJAARN COc1ccc(F)cc1C(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000005890045 568827951 /nfs/dbraw/zinc/82/79/51/568827951.db2.gz HIKJIBHQEHWFKS-UHFFFAOYSA-N 0 0 405.381 4.682 50 0 HJAARN Cc1ccc(OCc2nc3ccccc3n2C[C@@H](O)COc2ccccc2F)cc1 ZINC000005902106 568828889 /nfs/dbraw/zinc/82/88/89/568828889.db2.gz RKNHFKHNKQOIGM-GOSISDBHSA-N 0 0 406.457 4.503 50 0 HJAARN CCc1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccccc2)cc1 ZINC000002953111 568829487 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O=S(=O)(CCCOc1cccc(C(F)(F)F)c1)c1ccc(Br)cc1 ZINC000003470157 568907597 /nfs/dbraw/zinc/90/75/97/568907597.db2.gz XDSAREIIRLHFNM-UHFFFAOYSA-N 0 0 423.250 4.711 50 0 HJAARN O=C(COc1ccc(Cl)cc1Cl)OCC(=O)c1ccc(Br)cc1 ZINC000001265734 568909279 /nfs/dbraw/zinc/90/92/79/568909279.db2.gz CVYUGQCGWBZZAH-UHFFFAOYSA-N 0 0 418.070 4.561 50 0 HJAARN Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c(C)c1 ZINC000001266736 568909481 /nfs/dbraw/zinc/90/94/81/568909481.db2.gz GUHQTTISUGXBBR-UHFFFAOYSA-N 0 0 400.507 4.974 50 0 HJAARN CCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000004107665 568909591 /nfs/dbraw/zinc/90/95/91/568909591.db2.gz JWGRBTOHSQCPKQ-GOSISDBHSA-N 0 0 419.399 4.938 50 0 HJAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3C)ccc2C)cc1 ZINC000003495738 568909601 /nfs/dbraw/zinc/90/96/01/568909601.db2.gz BZXIWTQSRYWHNJ-UHFFFAOYSA-N 0 0 408.523 4.973 50 0 HJAARN COc1ccccc1Nc1nnc(SCc2cc(=O)oc3cc(C)ccc23)s1 ZINC000003494408 568909622 /nfs/dbraw/zinc/90/96/22/568909622.db2.gz ODHPZYYNTQXEMG-UHFFFAOYSA-N 0 0 411.508 4.997 50 0 HJAARN CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC)c1ccccc1 ZINC000003499025 568909931 /nfs/dbraw/zinc/90/99/31/568909931.db2.gz LRXRTUMUTGFIPX-UHFFFAOYSA-N 0 0 400.935 4.764 50 0 HJAARN Cc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccc(Cl)c(F)c5)no4)cc3CO2)cc1 ZINC000263615726 568910513 /nfs/dbraw/zinc/91/05/13/568910513.db2.gz DVNXHIMVTSJBLT-IBGZPJMESA-N 0 0 410.836 4.973 50 0 HJAARN Brc1cccc(-c2noc(-c3ncn4c3CO[C@@H](c3ccccc3)C4)n2)c1 ZINC000263616830 568911026 /nfs/dbraw/zinc/91/10/26/568911026.db2.gz KTCVROTXDKYPLL-QGZVFWFLSA-N 0 0 423.270 4.634 50 0 HJAARN O=C(Nc1ccc(F)cc1F)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000003515926 568911611 /nfs/dbraw/zinc/91/16/11/568911611.db2.gz KUKKSOFMOHBMRQ-UHFFFAOYSA-N 0 0 422.840 4.671 50 0 HJAARN COc1ccc([C@H]2Cn3nc(-c4nc(-c5ccc(Cl)cc5)no4)cc3CO2)cc1 ZINC000263616980 568911788 /nfs/dbraw/zinc/91/17/88/568911788.db2.gz LLCHADNRZKQCBR-LJQANCHMSA-N 0 0 408.845 4.534 50 0 HJAARN CCOc1cccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccc(Cl)cc3)OC4)n2)c1 ZINC000263618489 568911860 /nfs/dbraw/zinc/91/18/60/568911860.db2.gz UAYBFNMCYVVVGV-FQEVSTJZSA-N 0 0 422.872 4.924 50 0 HJAARN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)N(Cc1ccccc1)C1CC1 ZINC000031070252 568911959 /nfs/dbraw/zinc/91/19/59/568911959.db2.gz MKZMVYWVXMXLFO-SFHVURJKSA-N 0 0 420.456 4.700 50 0 HJAARN CCOc1ccc([C@H]2Cn3nc(-c4nc(-c5cccc(C)c5)no4)cc3CO2)cc1 ZINC000263618402 568912525 /nfs/dbraw/zinc/91/25/25/568912525.db2.gz SVHSMBPBTHFWII-OAQYLSRUSA-N 0 0 402.454 4.579 50 0 HJAARN Cc1noc(C)c1Cn1cnc2scc(-c3ccc(Br)cc3)c2c1=O ZINC000001290770 568912768 /nfs/dbraw/zinc/91/27/68/568912768.db2.gz XKVSDMWLXZLJFT-UHFFFAOYSA-N 0 0 416.300 4.541 50 0 HJAARN NC(=O)c1ccc(-c2nc(CSc3ncc(-c4ccc(F)cc4)o3)cs2)cc1 ZINC000052891405 568912882 /nfs/dbraw/zinc/91/28/82/568912882.db2.gz VRPYDRXGASFFBY-UHFFFAOYSA-N 0 0 411.483 4.995 50 0 HJAARN COc1ccccc1OCCn1c(=O)c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000001299519 568913353 /nfs/dbraw/zinc/91/33/53/568913353.db2.gz PRXBNNCCEREUKV-UHFFFAOYSA-N 0 0 406.869 4.805 50 0 HJAARN Cc1ccc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1NC(=O)c1ccco1 ZINC000003534445 568913417 /nfs/dbraw/zinc/91/34/17/568913417.db2.gz DWXONNFUCXVVSQ-UHFFFAOYSA-N 0 0 414.408 4.714 50 0 HJAARN C[C@@H]1CCc2nc3ccccc3c(C(=O)OCc3nnc(-c4cccs4)o3)c2C1 ZINC000003535920 568913599 /nfs/dbraw/zinc/91/35/99/568913599.db2.gz PMFUEXWBXBGGLH-CYBMUJFWSA-N 0 0 405.479 4.828 50 0 HJAARN O=C(CCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccc2c(c1)CCC2 ZINC000052927723 568913689 /nfs/dbraw/zinc/91/36/89/568913689.db2.gz HBURRIOCYOEXBX-JOCHJYFZSA-N 0 0 419.521 4.663 50 0 HJAARN Cc1cccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2cccc(O)c2)n1 ZINC000001315222 568913921 /nfs/dbraw/zinc/91/39/21/568913921.db2.gz VPXXKRWWLHWHSM-JOCHJYFZSA-N 0 0 412.445 4.569 50 0 HJAARN O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000031177281 568917479 /nfs/dbraw/zinc/91/74/79/568917479.db2.gz IVLLWJNWJYGHED-LJQANCHMSA-N 0 0 416.905 4.745 50 0 HJAARN Cc1oc2cc(OCC(=O)NCc3ccccc3)ccc2c(=O)c1Oc1ccccc1 ZINC000012700275 568917514 /nfs/dbraw/zinc/91/75/14/568917514.db2.gz BHWSTCJZZCYVNZ-UHFFFAOYSA-N 0 0 415.445 4.589 50 0 HJAARN CCc1ccc(S(=O)(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)s1 ZINC000083825508 568917603 /nfs/dbraw/zinc/91/76/03/568917603.db2.gz COACDGRHNNWVIY-UHFFFAOYSA-N 0 0 421.565 4.539 50 0 HJAARN CCCC(=O)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)[C@H](C)CC ZINC000004508499 568918422 /nfs/dbraw/zinc/91/84/22/568918422.db2.gz CBCUTZLECDOSGX-MRXNPFEDSA-N 0 0 407.507 4.521 50 0 HJAARN CN(C(=O)Nc1cccc2c1OCCO2)[C@@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000083843890 568918541 /nfs/dbraw/zinc/91/85/41/568918541.db2.gz RCBJJJURAYNIRO-HXUWFJFHSA-N 0 0 409.873 4.760 50 0 HJAARN Cc1c(C(=O)N(C)Cc2ccc3c(c2)OCO3)sc2nc(C(C)(C)C)nc(C)c12 ZINC000012728119 568920964 /nfs/dbraw/zinc/92/09/64/568920964.db2.gz AXNKOVIGSSRATD-UHFFFAOYSA-N 0 0 411.527 4.607 50 0 HJAARN O=C(COc1ccc(-c2nccc(-c3cccs3)n2)cc1)NCc1cccs1 ZINC000001383636 568921999 /nfs/dbraw/zinc/92/19/99/568921999.db2.gz BLFNKEOBSOJJCO-UHFFFAOYSA-N 0 0 407.520 4.629 50 0 HJAARN COc1ccc(-c2nc(SCc3ccccc3)n(C(=O)c3cccs3)n2)cc1 ZINC000003647277 568922200 /nfs/dbraw/zinc/92/22/00/568922200.db2.gz DSXPGSWFSMGKJN-UHFFFAOYSA-N 0 0 407.520 4.996 50 0 HJAARN O=c1c(-c2nnc(SCc3ccc(Cl)cc3)o2)cccn1Cc1ccccc1 ZINC000001384890 568922287 /nfs/dbraw/zinc/92/22/87/568922287.db2.gz ZTSBHBIEADMSQQ-UHFFFAOYSA-N 0 0 409.898 4.892 50 0 HJAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(C)c(F)c3)c3ccccc3C(=O)N2C)cc1 ZINC000003657666 568923167 /nfs/dbraw/zinc/92/31/67/568923167.db2.gz IOQLKRTYVDNWSG-GOTSBHOMSA-N 0 0 418.468 4.692 50 0 HJAARN O=S(=O)(c1ccc(Cl)cc1)n1ccc(-c2cnc(-c3ccccc3)s2)n1 ZINC000001389010 568923220 /nfs/dbraw/zinc/92/32/20/568923220.db2.gz WVIGIBFMVFTWKF-UHFFFAOYSA-N 0 0 401.900 4.564 50 0 HJAARN O=C(c1ccc(Cl)cc1)c1nn(-c2ccc(Cl)cc2)c(=O)cc1C(F)(F)F ZINC000001389632 568923484 /nfs/dbraw/zinc/92/34/84/568923484.db2.gz VYZUSFTVCMAOET-UHFFFAOYSA-N 0 0 413.182 4.789 50 0 HJAARN Cc1ccccc1C(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccc(F)cc1 ZINC000003660399 568923537 /nfs/dbraw/zinc/92/35/37/568923537.db2.gz HCFXXTFODHIRDX-JOCHJYFZSA-N 0 0 408.860 4.971 50 0 HJAARN O=c1[nH]c(SCc2ccc(C(F)(F)F)cc2)nc2c1cnn2-c1ccc(F)cc1 ZINC000003665074 568924090 /nfs/dbraw/zinc/92/40/90/568924090.db2.gz XYXFTXYSIUVKAT-UHFFFAOYSA-N 0 0 420.391 4.971 50 0 HJAARN COc1ccc(-c2nc(CS[C@H](C)C(=O)NCc3cccs3)cs2)cc1 ZINC000031413634 568925695 /nfs/dbraw/zinc/92/56/95/568925695.db2.gz DGTBMCZLVFFPRC-CYBMUJFWSA-N 0 0 404.582 4.818 50 0 HJAARN CN(C(=O)c1cc(Cl)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1)c1ccccc1 ZINC000001400066 568926017 /nfs/dbraw/zinc/92/60/17/568926017.db2.gz KQOHPUCTUDRXLI-UHFFFAOYSA-N 0 0 420.818 4.845 50 0 HJAARN O=C(Nc1ccc(F)cc1F)c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2)c1 ZINC000001400091 568926176 /nfs/dbraw/zinc/92/61/76/568926176.db2.gz LPYNNIYVZYYYOL-UHFFFAOYSA-N 0 0 409.219 4.734 50 0 HJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1C=CC(C(F)(F)Cl)=NCC1 ZINC000001396101 568926333 /nfs/dbraw/zinc/92/63/33/568926333.db2.gz GZYNUPOCEUDFFT-UHFFFAOYSA-N 0 0 400.212 4.546 50 0 HJAARN O=C(NCCc1cccc(Cl)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000003816442 568926717 /nfs/dbraw/zinc/92/67/17/568926717.db2.gz UBMPZPKMTBCPIW-UHFFFAOYSA-N 0 0 411.786 4.656 50 0 HJAARN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)OCC(=O)N1[C@H](C)CCC[C@H]1C ZINC000031479242 568926772 /nfs/dbraw/zinc/92/67/72/568926772.db2.gz IUZYHOXKVMYNNR-GHMZBOCLSA-N 0 0 414.449 4.570 50 0 HJAARN CC(C)NC(=O)c1cnn(-c2nc(-c3ccc(Cl)cc3)cs2)c1C(F)(F)F ZINC000001400947 568927045 /nfs/dbraw/zinc/92/70/45/568927045.db2.gz QJEAYKWAGSFPLQ-UHFFFAOYSA-N 0 0 414.840 4.806 50 0 HJAARN Cc1ccccc1NC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F ZINC000012741109 568929139 /nfs/dbraw/zinc/92/91/39/568929139.db2.gz GQIFSEWCFSAZFR-UHFFFAOYSA-N 0 0 414.309 4.866 50 0 HJAARN O=C(N[C@H](c1cccs1)c1ccc(F)cc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000012742937 568929950 /nfs/dbraw/zinc/92/99/50/568929950.db2.gz IVEKFTXKOVIUJF-FPOVZHCZSA-N 0 0 424.497 4.524 50 0 HJAARN CC(C)C(=O)Nc1cccc(CNC(=O)c2ccccc2NC(=O)c2cccs2)c1 ZINC000012742859 568930000 /nfs/dbraw/zinc/93/00/00/568930000.db2.gz YCESMRGNHFKCJI-UHFFFAOYSA-N 0 0 421.522 4.525 50 0 HJAARN Cn1ccnc1C(=O)c1ccc(NC(=O)C2(c3cccc(Cl)c3)CCCC2)cc1 ZINC000031744551 568930088 /nfs/dbraw/zinc/93/00/88/568930088.db2.gz ULRUUODGTHHZIB-UHFFFAOYSA-N 0 0 407.901 4.755 50 0 HJAARN CCCCCCOC(=O)c1ccccc1N[C@@H]1OC(=O)c2c1ccc(OC)c2OC ZINC000003999503 568932087 /nfs/dbraw/zinc/93/20/87/568932087.db2.gz JXKLPVGGLYJBTA-OAQYLSRUSA-N 0 0 413.470 4.722 50 0 biogenic HJAARN Cc1cc(I)cn2cc(-c3cccc(C(F)(F)F)c3)nc12 ZINC000004003121 568932820 /nfs/dbraw/zinc/93/28/20/568932820.db2.gz MCWMTPMTNZVJLF-UHFFFAOYSA-N 0 0 402.157 4.933 50 0 HJAARN CC(=O)Nc1nc2ccc(NC(=O)c3ccc(-c4ccccc4)nc3C)cc2s1 ZINC000084028871 568933247 /nfs/dbraw/zinc/93/32/47/568933247.db2.gz JHZDFPSFBNVKKK-UHFFFAOYSA-N 0 0 402.479 4.877 50 0 HJAARN Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccccc1Br ZINC000004033088 568934906 /nfs/dbraw/zinc/93/49/06/568934906.db2.gz JAKUKEANTOXKEF-UHFFFAOYSA-N 0 0 407.271 4.720 50 0 HJAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)NCC(F)(F)F)cc12 ZINC000084068060 568935365 /nfs/dbraw/zinc/93/53/65/568935365.db2.gz IHNVPGJEBFGDEJ-UHFFFAOYSA-N 0 0 407.339 4.706 50 0 HJAARN COc1ccc(OC)c([C@H]2c3cccn3CCN2C(=S)Nc2ccc(C)cc2)c1 ZINC000004059444 568936996 /nfs/dbraw/zinc/93/69/96/568936996.db2.gz KLBTVPBXVOKPPA-QFIPXVFZSA-N 0 0 407.539 4.616 50 0 HJAARN COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccccc2)c(OC)c1 ZINC000004064573 568937582 /nfs/dbraw/zinc/93/75/82/568937582.db2.gz OPSSSWJBIKGPHY-IURDAJEJSA-N 0 0 421.537 4.612 50 0 biogenic HJAARN O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)[C@H]1COc2ccccc2O1 ZINC000012749560 568937544 /nfs/dbraw/zinc/93/75/44/568937544.db2.gz HEVQDLTULMDJLL-QGZVFWFLSA-N 0 0 420.412 4.531 50 0 HJAARN O=S(=O)(NC[C@@H](Nc1ccc(F)cc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000001428846 568939552 /nfs/dbraw/zinc/93/95/52/568939552.db2.gz SGLQALGHWKZXNB-HXUWFJFHSA-N 0 0 404.894 4.611 50 0 HJAARN COc1c(Br)cc(F)cc1NC(=O)c1ccc(F)cc1Br ZINC000012750643 568940271 /nfs/dbraw/zinc/94/02/71/568940271.db2.gz GFZVRRHLLYJTIO-UHFFFAOYSA-N 0 0 421.035 4.751 50 0 HJAARN CCOC(=O)c1sc2nc(NC(=O)c3nc4ccccc4s3)sc2c1C ZINC000004088276 568941099 /nfs/dbraw/zinc/94/10/99/568941099.db2.gz YKAGNOBCECHIDC-UHFFFAOYSA-N 0 0 403.510 4.705 50 0 HJAARN Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccccc3-c3ccccc3)n2)s1 ZINC000084205748 568944587 /nfs/dbraw/zinc/94/45/87/568944587.db2.gz OKFFCPPYWKSIJX-UHFFFAOYSA-N 0 0 401.491 4.586 50 0 HJAARN O=C(CCn1c(=O)sc2ccccc21)N(Cc1ccccc1)Cc1ccccc1 ZINC000004121588 568944951 /nfs/dbraw/zinc/94/49/51/568944951.db2.gz DIUJWSSYQSYDGM-UHFFFAOYSA-N 0 0 402.519 4.682 50 0 HJAARN Cc1nc2c(cc(OCC(=O)N3CCC[C@H](C(F)(F)F)C3)c3ccsc32)s1 ZINC000084287018 568945660 /nfs/dbraw/zinc/94/56/60/568945660.db2.gz XAXZHUGYVVHWRK-NSHDSACASA-N 0 0 414.474 4.999 50 0 HJAARN O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cc(F)ccc1Br ZINC000012763940 568947127 /nfs/dbraw/zinc/94/71/27/568947127.db2.gz OXGUNQVTUDDIJC-UHFFFAOYSA-N 0 0 419.275 4.899 50 0 HJAARN COc1ccccc1CN(C)C(=O)c1sc(COc2ccc(Cl)cc2)nc1C ZINC000012764529 568947649 /nfs/dbraw/zinc/94/76/49/568947649.db2.gz UORDCLWJBKQZBH-UHFFFAOYSA-N 0 0 416.930 4.965 50 0 HJAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(F)cc3F)C2)c2ccccc12 ZINC000012767437 568949346 /nfs/dbraw/zinc/94/93/46/568949346.db2.gz VXRGFDWEQRVTKJ-HNNXBMFYSA-N 0 0 424.447 4.618 50 0 HJAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)cc3F)C2)c2ccccc12 ZINC000012767432 568949422 /nfs/dbraw/zinc/94/94/22/568949422.db2.gz VXRGFDWEQRVTKJ-OAHLLOKOSA-N 0 0 424.447 4.618 50 0 HJAARN O=C(C[C@@H](c1ccccc1)C(F)(F)F)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000084522299 568949861 /nfs/dbraw/zinc/94/98/61/568949861.db2.gz LXYPXQGERSIWAW-LBPRGKRZSA-N 0 0 408.401 4.742 50 0 HJAARN Cc1ccc(NC2=Nn3c(nnc3-c3ccccc3Br)SC2)c(C)c1 ZINC000004189854 568950244 /nfs/dbraw/zinc/95/02/44/568950244.db2.gz ZIUDKUJEAOSXEB-UHFFFAOYSA-N 0 0 414.332 4.704 50 0 HJAARN 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/nfs/dbraw/zinc/01/03/92/569010392.db2.gz KEXJCAGXQMTLCZ-UHFFFAOYSA-N 0 0 414.552 4.691 50 0 HJAARN CC(C)c1ccc(-c2noc(N3CCC(C(=O)NC4CCCCCC4)CC3)n2)cc1 ZINC000015821511 569010718 /nfs/dbraw/zinc/01/07/18/569010718.db2.gz AQGUYDQRABINSU-UHFFFAOYSA-N 0 0 410.562 4.915 50 0 HJAARN COC(=O)C[C@H](NC(=O)c1csc(-c2cccs2)n1)c1ccccc1Cl ZINC000012859395 569011450 /nfs/dbraw/zinc/01/14/50/569011450.db2.gz PQQPWHCYAQSBDE-ZDUSSCGKSA-N 0 0 406.916 4.559 50 0 HJAARN CCc1ccccc1NC(=O)CN(C)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000012857629 569011291 /nfs/dbraw/zinc/01/12/91/569011291.db2.gz UDJJWIONTMQUAH-UHFFFAOYSA-N 0 0 413.930 4.737 50 0 HJAARN CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cccc(Br)c1 ZINC000001518377 569011746 /nfs/dbraw/zinc/01/17/46/569011746.db2.gz PXELJIWAMPBGRJ-KRWDZBQOSA-N 0 0 422.120 4.909 50 0 HJAARN CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000012868798 569012307 /nfs/dbraw/zinc/01/23/07/569012307.db2.gz QVNMMKUEYSZBHG-UHFFFAOYSA-N 0 0 412.873 4.709 50 0 HJAARN CCCn1c(=O)c2cc(Br)ccc2nc1SCc1csc(C)n1 ZINC000006141405 569014330 /nfs/dbraw/zinc/01/43/30/569014330.db2.gz RXIQXISVDJPOHT-UHFFFAOYSA-N 0 0 410.362 4.626 50 0 HJAARN CCn1c(SCC(=O)c2ccc3c(c2)CCCC3)nnc1-c1ccc(OC)cc1 ZINC000006147946 569014839 /nfs/dbraw/zinc/01/48/39/569014839.db2.gz VSRQXVAGEIIWLJ-UHFFFAOYSA-N 0 0 407.539 4.827 50 0 HJAARN O=C(CSc1ncnc2c1sc1cccc(F)c12)NCc1ccc(F)cc1 ZINC000015863481 569016110 /nfs/dbraw/zinc/01/61/10/569016110.db2.gz PLELPGGVRQTQAN-UHFFFAOYSA-N 0 0 401.463 4.531 50 0 HJAARN Cc1ccc(C)n1-c1cccnc1N1CCC(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000015864324 569016436 /nfs/dbraw/zinc/01/64/36/569016436.db2.gz GQLBVQZZOSDXMI-UHFFFAOYSA-N 0 0 408.933 4.998 50 0 HJAARN Cc1nn(-c2nc3ccccc3[nH]2)c2c1[C@@H](c1ccc(Cl)c(Cl)c1)CC(=O)N2 ZINC000015868328 569017028 /nfs/dbraw/zinc/01/70/28/569017028.db2.gz AJOPVZANHORYPQ-GFCCVEGCSA-N 0 0 412.280 4.838 50 0 HJAARN Cc1nn(-c2nc3ccccc3[nH]2)c2c1[C@@H](c1ccc(Cl)cc1Cl)CC(=O)N2 ZINC000015868250 569017037 /nfs/dbraw/zinc/01/70/37/569017037.db2.gz AXHDVLOVGFYFSN-CYBMUJFWSA-N 0 0 412.280 4.838 50 0 HJAARN O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)Nc1ccc(F)c(F)c1 ZINC000015880654 569018335 /nfs/dbraw/zinc/01/83/35/569018335.db2.gz YVROAHHLBMJYIU-UHFFFAOYSA-N 0 0 422.844 4.900 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(=O)n(Cc2c(F)cccc2Cl)c1 ZINC000015883030 569019243 /nfs/dbraw/zinc/01/92/43/569019243.db2.gz LKOGDIKIAQVAND-UHFFFAOYSA-N 0 0 424.781 4.960 50 0 HJAARN O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1ccc(Cl)cc1F ZINC000012897933 569020414 /nfs/dbraw/zinc/02/04/14/569020414.db2.gz IRNZSHIINMXZHS-UHFFFAOYSA-N 0 0 417.893 4.692 50 0 HJAARN O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1cncc(Br)c1 ZINC000012908352 569021647 /nfs/dbraw/zinc/02/16/47/569021647.db2.gz DZVFNLPDXVSWCB-UHFFFAOYSA-N 0 0 408.708 4.797 50 0 HJAARN O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1cc(Cl)cc(Cl)c1OC(F)F ZINC000012926374 569023792 /nfs/dbraw/zinc/02/37/92/569023792.db2.gz WCWUTFHHVICPFI-UHFFFAOYSA-N 0 0 415.223 4.739 50 0 HJAARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N(C)Cc1nc2ccccc2s1 ZINC000012927479 569024014 /nfs/dbraw/zinc/02/40/14/569024014.db2.gz TWWHVWOYISVGDY-CYBMUJFWSA-N 0 0 403.935 4.726 50 0 HJAARN CC[C@@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc(Br)cc1 ZINC000012928510 569024307 /nfs/dbraw/zinc/02/43/07/569024307.db2.gz PVLUMFVDKXHKLY-GOSISDBHSA-N 0 0 401.304 4.679 50 0 HJAARN O=C(NCCc1ccccc1)C1CCC(CNc2[nH]c(=S)nc3ccccc32)CC1 ZINC000015953320 569024517 /nfs/dbraw/zinc/02/45/17/569024517.db2.gz VRAUHCQCXFTACD-UHFFFAOYSA-N 0 0 420.582 4.870 50 0 HJAARN COC(=O)c1cccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)c1 ZINC000012933889 569025685 /nfs/dbraw/zinc/02/56/85/569025685.db2.gz HYVNZZMEJJGQRI-UHFFFAOYSA-N 0 0 417.490 4.699 50 0 HJAARN CCOc1c(Br)cc(F)cc1NC(=O)COc1ccc(F)cc1Cl ZINC000012934470 569026217 /nfs/dbraw/zinc/02/62/17/569026217.db2.gz IRWBUQFPOSZNKT-UHFFFAOYSA-N 0 0 420.637 4.797 50 0 HJAARN CCOC(=O)c1ccc(NC(=O)[C@@H](Sc2nc(C)cc(C)n2)c2ccccc2)cc1 ZINC000334163423 569026391 /nfs/dbraw/zinc/02/63/91/569026391.db2.gz RMWVQBQRXGFKTG-FQEVSTJZSA-N 0 0 421.522 4.742 50 0 HJAARN Cc1ccc(OCc2nc(CC(=O)Nc3ccccc3Br)cs2)cc1 ZINC000012937925 569027888 /nfs/dbraw/zinc/02/78/88/569027888.db2.gz RZGNPHAMPINFGL-UHFFFAOYSA-N 0 0 417.328 4.974 50 0 HJAARN O=C(C[C@H](c1cccc2ccccc21)n1cccc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000575443367 569028367 /nfs/dbraw/zinc/02/83/67/569028367.db2.gz QOWFWBDEKGRBJK-BBVWWWHTSA-N 0 0 402.538 4.774 50 0 HJAARN CC(C)[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1nnnn1C12CC3CC(CC(C3)C1)C2 ZINC000575443517 569028483 /nfs/dbraw/zinc/02/84/83/569028483.db2.gz BRQCKDJXADEPJO-OIBAJTQMSA-N 0 0 418.589 4.609 50 0 HJAARN O=C(OCc1nc2cc(Cl)ccc2c(=O)[nH]1)c1ccc(OCc2ccccc2)cc1 ZINC000012948153 569029264 /nfs/dbraw/zinc/02/92/64/569029264.db2.gz YQZAHPZMLSBTMZ-UHFFFAOYSA-N 0 0 420.852 4.513 50 0 HJAARN CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000012949466 569029417 /nfs/dbraw/zinc/02/94/17/569029417.db2.gz QNFFXXXUQALNCG-UHFFFAOYSA-N 0 0 411.889 4.835 50 0 HJAARN COC(=O)c1cc(CN(C)[C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)oc1C ZINC000035310641 569031084 /nfs/dbraw/zinc/03/10/84/569031084.db2.gz MZQPTFYOTBDCKX-QHCPKHFHSA-N 0 0 416.477 4.912 50 0 HJAARN O=C(NC[C@H](O)c1ccc(-c2ccsc2)s1)c1ccccc1Br ZINC000575610474 569032354 /nfs/dbraw/zinc/03/23/54/569032354.db2.gz NPXRGHKJCLVQEY-AWEZNQCLSA-N 0 0 408.342 4.703 50 0 HJAARN Cn1cc([C@@H](CC(=O)NCCc2ccccn2)c2ccc(F)cc2)c2ccccc21 ZINC000035371534 569033812 /nfs/dbraw/zinc/03/38/12/569033812.db2.gz ZDGPXWCPGLLLCU-QFIPXVFZSA-N 0 0 401.485 4.593 50 0 HJAARN Cn1cc([C@H](CC(=O)NCCc2ccccn2)c2ccc(F)cc2)c2ccccc21 ZINC000035371535 569033815 /nfs/dbraw/zinc/03/38/15/569033815.db2.gz ZDGPXWCPGLLLCU-JOCHJYFZSA-N 0 0 401.485 4.593 50 0 HJAARN Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)Nc4cccc(Cl)c4)C3)nn2)cc1 ZINC000035398093 569035021 /nfs/dbraw/zinc/03/50/21/569035021.db2.gz BXGFNAYNKCCXCA-GOSISDBHSA-N 0 0 406.917 4.961 50 0 HJAARN Cc1ccccc1-c1ccc(N2CCC[C@@H](C(=O)NCCC3=CCCCC3)C2)nn1 ZINC000035397985 569035037 /nfs/dbraw/zinc/03/50/37/569035037.db2.gz HEZDNLSWJDMGNN-OAQYLSRUSA-N 0 0 404.558 4.675 50 0 HJAARN Cc1cccc(-c2ccc(N3CCC[C@@H](C(=O)Nc4ccc(Cl)cc4)C3)nn2)c1 ZINC000035398287 569035095 /nfs/dbraw/zinc/03/50/95/569035095.db2.gz QEFPZUGFBONISG-GOSISDBHSA-N 0 0 406.917 4.961 50 0 HJAARN CCOc1ccc(NC(=O)C2CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)cc1 ZINC000035398604 569035235 /nfs/dbraw/zinc/03/52/35/569035235.db2.gz NPDSQSZFZQXRHB-UHFFFAOYSA-N 0 0 420.488 4.537 50 0 HJAARN Cc1cccc(OCC(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)c1 ZINC000035399569 569035367 /nfs/dbraw/zinc/03/53/67/569035367.db2.gz PSMIIAPVJWUMPO-UHFFFAOYSA-N 0 0 415.537 4.725 50 0 biogenic HJAARN Cc1ccc(-n2cc(C3=CCN(CC(=O)Nc4cccc(Cl)c4)CC3)cn2)cc1C ZINC000035403499 569035560 /nfs/dbraw/zinc/03/55/60/569035560.db2.gz YGXUJCGMCXHYBI-UHFFFAOYSA-N 0 0 420.944 4.870 50 0 HJAARN O=C(c1nc2ccccc2s1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 ZINC000575614857 569036062 /nfs/dbraw/zinc/03/60/62/569036062.db2.gz LBSTWDZIBJMHRU-UHFFFAOYSA-N 0 0 408.449 4.597 50 0 HJAARN COc1ccc(NC(=O)c2nc3ccccc3c(Nc3ccc(C)cc3)n2)c(OC)c1 ZINC000035429694 569036869 /nfs/dbraw/zinc/03/68/69/569036869.db2.gz FARLXHFRQULGKG-UHFFFAOYSA-N 0 0 414.465 4.951 50 0 HJAARN Cc1c2cc(Br)ccc2oc1C(=O)OCC(=O)NCCC1=CCCCC1 ZINC000006280279 569037171 /nfs/dbraw/zinc/03/71/71/569037171.db2.gz PMCQKXYGYMLOJX-UHFFFAOYSA-N 0 0 420.303 4.667 50 0 HJAARN COc1ccc2c(c1)NC1(CCN(C(=O)Nc3ccc(F)cc3)CC1)c1cccn1-2 ZINC000035446938 569037254 /nfs/dbraw/zinc/03/72/54/569037254.db2.gz BFUDIMSFJNRBIF-UHFFFAOYSA-N 0 0 406.461 4.574 50 0 biogenic HJAARN Cc1ccc(C(=O)N[C@H](C)Cc2ccco2)cc1NC(=O)c1nsc2ccccc21 ZINC000035447649 569037404 /nfs/dbraw/zinc/03/74/04/569037404.db2.gz KJOVYFUNYBBRGT-OAHLLOKOSA-N 0 0 419.506 4.811 50 0 HJAARN Cc1cc(Cl)ccc1OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000006289149 569037611 /nfs/dbraw/zinc/03/76/11/569037611.db2.gz KDZZWRBVMXFIIA-GASCZTMLSA-N 0 0 421.946 4.534 50 0 HJAARN COC(=O)c1c(NC(=O)N2CCC[C@@H]2c2ccc(F)cc2)sc2c1CCCC2 ZINC000035476543 569038325 /nfs/dbraw/zinc/03/83/25/569038325.db2.gz GOJJZKYUPUENHJ-MRXNPFEDSA-N 0 0 402.491 4.922 50 0 HJAARN O=C(COc1ccccc1-c1nc(-c2ccccc2Cl)no1)NC1CCCCC1 ZINC000035476137 569038461 /nfs/dbraw/zinc/03/84/61/569038461.db2.gz SNZCNTBKQRMZJZ-UHFFFAOYSA-N 0 0 411.889 4.885 50 0 HJAARN Oc1c2c(c(O)n1-c1ccccc1)[C@H](c1cccc3ccccc31)N(c1ccccc1)O2 ZINC000226831605 569039932 /nfs/dbraw/zinc/03/99/32/569039932.db2.gz VXFPKSQCUVGEPQ-CCDWMCETSA-N 0 0 420.468 4.891 50 0 HJAARN Cc1nc(-c2cccs2)sc1CNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000090592849 569041559 /nfs/dbraw/zinc/04/15/59/569041559.db2.gz SHPVMBJIRBBIGG-UHFFFAOYSA-N 0 0 418.487 4.677 50 0 HJAARN Cc1nc(-c2ccccc2Cl)sc1CNC(=O)NCCOc1ccccc1 ZINC000090593330 569041610 /nfs/dbraw/zinc/04/16/10/569041610.db2.gz GRRPNESRDOBFCH-UHFFFAOYSA-N 0 0 401.919 4.650 50 0 HJAARN Cc1sc(NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)nc1-c1ccc(F)c(F)c1 ZINC000012979282 569042632 /nfs/dbraw/zinc/04/26/32/569042632.db2.gz RUQIYVMBLHPZAW-NRFANRHFSA-N 0 0 414.433 4.507 50 0 HJAARN CCOc1cc2c(cc1NC(=O)c1cc(C3CC3)nn1-c1ccccc1)O[C@H](C)C2 ZINC000012979031 569042639 /nfs/dbraw/zinc/04/26/39/569042639.db2.gz PASMAJGUNCKODH-OAHLLOKOSA-N 0 0 403.482 4.724 50 0 HJAARN Cc1cccc(C2N=NC(=S)N2CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000012979841 569042692 /nfs/dbraw/zinc/04/26/92/569042692.db2.gz PDBGKLAUYOBFFS-GFCCVEGCSA-N 0 0 421.353 4.726 50 0 HJAARN CCCCOc1ccc(C(=O)NCC(O)(c2cccs2)c2cccs2)cc1 ZINC000090617152 569042926 /nfs/dbraw/zinc/04/29/26/569042926.db2.gz AEABEOMONQHXSN-UHFFFAOYSA-N 0 0 401.553 4.654 50 0 HJAARN O=C(NCCC1=CCCCC1)[C@@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1 ZINC000035513103 569043244 /nfs/dbraw/zinc/04/32/44/569043244.db2.gz AAFORVHTEJFBOD-HXUWFJFHSA-N 0 0 408.521 4.506 50 0 HJAARN O=C(Nc1cc(F)ccc1F)c1nc2c3ccccc3oc2c(N2CCCCC2)n1 ZINC000035513890 569043277 /nfs/dbraw/zinc/04/32/77/569043277.db2.gz UIYAMOFSCWACKH-UHFFFAOYSA-N 0 0 408.408 4.897 50 0 HJAARN COc1ccc(Br)c(C(=O)N(Cc2ccoc2)Cc2cccs2)c1 ZINC000090612173 569043403 /nfs/dbraw/zinc/04/34/03/569043403.db2.gz MOTVKQHMQYGMGJ-UHFFFAOYSA-N 0 0 406.301 4.955 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)c2c(C)onc2-c2cccc(Br)c2)cc1 ZINC000035536458 569043603 /nfs/dbraw/zinc/04/36/03/569043603.db2.gz JGIPTLOOPITERF-UHFFFAOYSA-N 0 0 414.259 4.623 50 0 HJAARN O=C(CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)NCc1cccc(Cl)c1 ZINC000035528836 569044056 /nfs/dbraw/zinc/04/40/56/569044056.db2.gz WQRQBOMUKLLNSR-UHFFFAOYSA-N 0 0 420.340 4.944 50 0 HJAARN CCCCn1c2nnc(SCc3cccc(Cl)c3)n2c2ccsc2c1=O ZINC000035529085 569044092 /nfs/dbraw/zinc/04/40/92/569044092.db2.gz KQNOHRHJCSOJHJ-UHFFFAOYSA-N 0 0 404.948 4.852 50 0 HJAARN CC(C)Cn1c2nnc(SCc3c(F)cccc3Cl)n2c2ccsc2c1=O ZINC000035529122 569044128 /nfs/dbraw/zinc/04/41/28/569044128.db2.gz GVPWVTRUJZGLGL-UHFFFAOYSA-N 0 0 422.938 4.847 50 0 HJAARN COc1ccc(OC)c(/C=C/C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC000006346752 569044536 /nfs/dbraw/zinc/04/45/36/569044536.db2.gz MMZWIJHQIBBZGG-NTCAYCPXSA-N 0 0 417.461 4.713 50 0 HJAARN CCc1nc(-c2cc(NC(=O)Cc3ccccc3Br)c(C)s2)no1 ZINC000035554696 569044635 /nfs/dbraw/zinc/04/46/35/569044635.db2.gz HSSLJXJGNJGBSQ-UHFFFAOYSA-N 0 0 406.305 4.613 50 0 HJAARN COc1ccc(C(=O)[C@@H](C)Sc2nnc([C@H](C)Oc3ccc(F)cc3)o2)cc1 ZINC000006374643 569045339 /nfs/dbraw/zinc/04/53/39/569045339.db2.gz DMMCGGNRJWMLFH-QWHCGFSZSA-N 0 0 402.447 4.721 50 0 HJAARN COc1cc(/C=C\C(=O)Nc2nc3c(cccc3SC)s2)cc(OC)c1OC ZINC000035590375 569045408 /nfs/dbraw/zinc/04/54/08/569045408.db2.gz PHLGZQXYZUZAAJ-HJWRWDBZSA-N 0 0 416.524 4.696 50 0 HJAARN Cc1sc2nc([C@H](C)OC(=O)c3ccc(F)c(C(F)(F)F)c3)[nH]c(=O)c2c1C ZINC000064210900 569045943 /nfs/dbraw/zinc/04/59/43/569045943.db2.gz BUGIQNDPDNTYEW-QMMMGPOBSA-N 0 0 414.380 4.677 50 0 HJAARN O=C1NC(=Cc2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1c1ccccc1 ZINC000006399556 569046705 /nfs/dbraw/zinc/04/67/05/569046705.db2.gz ZUHPCYKFMLVSCZ-HYARGMPZSA-N 0 0 411.436 4.926 50 0 HJAARN CCOC(=O)c1c(NC(=S)Nc2cc(C)n(C)n2)sc(C)c1-c1ccccc1 ZINC000006401968 569046752 /nfs/dbraw/zinc/04/67/52/569046752.db2.gz XQIKCASZKVFLDV-UHFFFAOYSA-N 0 0 414.556 4.751 50 0 HJAARN 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569057671 /nfs/dbraw/zinc/05/76/71/569057671.db2.gz ABAZYMPWFIPILI-UHFFFAOYSA-N 0 0 400.881 4.525 50 0 HJAARN CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@@H](C)c2cnn(Cc3ccccc3)c2)s1 ZINC000089289881 569058032 /nfs/dbraw/zinc/05/80/32/569058032.db2.gz ROZNBPFFQPWVRW-RDJZCZTQSA-N 0 0 411.575 4.722 50 0 HJAARN CCc1c(C)sc(NC(=O)c2c(Cl)cnn2C)c1C(=O)Nc1ccccc1 ZINC000006489833 569059662 /nfs/dbraw/zinc/05/96/62/569059662.db2.gz GRZIJORGEBCKQZ-UHFFFAOYSA-N 0 0 402.907 4.510 50 0 HJAARN COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000016591634 569060100 /nfs/dbraw/zinc/06/01/00/569060100.db2.gz XVCZYIFVWVQIPK-XLIONFOSSA-N 0 0 406.448 4.958 50 0 HJAARN Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1NC(=O)c1ccco1 ZINC000006507623 569061763 /nfs/dbraw/zinc/06/17/63/569061763.db2.gz JVQFRXRWGGQAKL-UHFFFAOYSA-N 0 0 404.451 4.611 50 0 HJAARN CCOC(=O)c1[nH]c(C)c(C(=O)OCc2csc(-c3ccc(Cl)cc3)n2)c1C ZINC000006510494 569061932 /nfs/dbraw/zinc/06/19/32/569061932.db2.gz VGNQZPLKWSFIKY-UHFFFAOYSA-N 0 0 418.902 4.942 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/nfs/dbraw/zinc/06/29/28/569062928.db2.gz YAAPWTXRXCTCIP-IBGZPJMESA-N 0 0 402.498 4.686 50 0 HJAARN O=C(Nc1cccc(Cl)c1)N1CCCN(c2nc3ccccc3n3cccc23)CC1 ZINC000064473180 569063688 /nfs/dbraw/zinc/06/36/88/569063688.db2.gz BEWXPMCMGKCBLL-UHFFFAOYSA-N 0 0 419.916 4.885 50 0 HJAARN C[C@H]1Oc2ccc(NC(=O)c3ccc(F)cc3)cc2CN(Cc2ccccc2F)C1=O ZINC000035884508 569064568 /nfs/dbraw/zinc/06/45/68/569064568.db2.gz NEMNCVGYCMACGS-OAHLLOKOSA-N 0 0 422.431 4.527 50 0 HJAARN C[C@H](c1ccc(F)cc1)N1Cc2cc(NC(=O)Cc3cccs3)ccc2OCC1=O ZINC000035909692 569065892 /nfs/dbraw/zinc/06/58/92/569065892.db2.gz RFTUSQSDCGOZQP-OAHLLOKOSA-N 0 0 424.497 4.551 50 0 HJAARN Cc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)cc1 ZINC000035924552 569066162 /nfs/dbraw/zinc/06/61/62/569066162.db2.gz ORTKOJYUFVLDTM-UHFFFAOYSA-N 0 0 404.466 4.808 50 0 HJAARN CCOC(=O)[C@@H](CC)Sc1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 ZINC000035924537 569066184 /nfs/dbraw/zinc/06/61/84/569066184.db2.gz PLJAEPHRGUMJCX-LLVKDONJSA-N 0 0 420.343 4.531 50 0 HJAARN CCOC(=O)[C@@H](CC)Sc1nnc(NC(=O)c2ccc(Cl)c(Cl)c2)s1 ZINC000035924539 569066186 /nfs/dbraw/zinc/06/61/86/569066186.db2.gz IOHIROYWFKHXQZ-LLVKDONJSA-N 0 0 420.343 4.531 50 0 HJAARN COc1cccc(CNC(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)c1 ZINC000064567943 569067500 /nfs/dbraw/zinc/06/75/00/569067500.db2.gz RUKYUYDIDJAAJH-UHFFFAOYSA-N 0 0 411.914 4.894 50 0 HJAARN CC(=O)N1N=C(c2ccc(F)cc2)O[C@H]1c1cccc(NC(=O)c2ccc(C)cc2)c1 ZINC000064567861 569067502 /nfs/dbraw/zinc/06/75/02/569067502.db2.gz MSQVNNJKFKONOY-DEOSSOPVSA-N 0 0 417.440 4.626 50 0 HJAARN COC(=O)c1ccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccc(F)cc32)cc1 ZINC000064568444 569067617 /nfs/dbraw/zinc/06/76/17/569067617.db2.gz GXCMJOAJBSAIJO-UHFFFAOYSA-N 0 0 421.472 4.776 50 0 HJAARN COC[C@H](C)n1c(COc2ccccc2F)nn(CN2[C@@H](C)CCC[C@@H]2C)c1=S ZINC000006587778 569067861 /nfs/dbraw/zinc/06/78/61/569067861.db2.gz PVOVWDJZOPIROK-ULQDDVLXSA-N 0 0 422.570 4.560 50 0 HJAARN Cc1cc(C)c(NC(=O)CNC(=O)CSc2cc(C)c3cccc(C)c3n2)c(C)c1 ZINC000006587711 569068025 /nfs/dbraw/zinc/06/80/25/569068025.db2.gz RWUDUYSNSYMMLX-UHFFFAOYSA-N 0 0 421.566 4.624 50 0 HJAARN COc1cccc(CNC(=O)c2cccc(Oc3cc(-c4ccccc4)ncn3)c2)c1 ZINC000064578754 569068275 /nfs/dbraw/zinc/06/82/75/569068275.db2.gz RTVBXTKLWFIQRS-UHFFFAOYSA-N 0 0 411.461 4.875 50 0 biogenic HJAARN COc1ccc2oc(C(=O)Nc3sc(-c4ccccc4)cc3C(N)=O)c(C)c2c1 ZINC000006589872 569068374 /nfs/dbraw/zinc/06/83/74/569068374.db2.gz NQTNATHUQKDWKE-UHFFFAOYSA-N 0 0 406.463 4.830 50 0 HJAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(OC)cc2OC)cc1 ZINC000239235504 569069752 /nfs/dbraw/zinc/06/97/52/569069752.db2.gz WCAAZHVKQLECMC-RDGATRHJSA-N 0 0 416.477 4.955 50 0 HJAARN CCCCCn1nc(C(=O)Nc2ccc3nc(C)sc3c2)c2ccccc2c1=O ZINC000006600726 569069763 /nfs/dbraw/zinc/06/97/63/569069763.db2.gz DATDBURVCINSOJ-UHFFFAOYSA-N 0 0 406.511 4.757 50 0 HJAARN COc1ccc(-c2cc(NC(=O)c3ccc(OC)nc3)ccc2OC(F)F)cc1 ZINC000027012734 569070387 /nfs/dbraw/zinc/07/03/87/569070387.db2.gz UKRLNUCFNKHFEP-UHFFFAOYSA-N 0 0 400.381 4.620 50 0 HJAARN CCOc1ccccc1Oc1coc2c(ccc3c2CN(Cc2ccco2)CO3)c1=O ZINC000054313527 569070778 /nfs/dbraw/zinc/07/07/78/569070778.db2.gz BITJNAZSSHOKGT-UHFFFAOYSA-N 0 0 419.433 4.929 50 0 HJAARN Cc1ccc2c(c1)NC(=O)c1cc(S(=O)(=O)N3CCCC[C@@H]3C)c(Cl)cc1O2 ZINC000064604782 569070863 /nfs/dbraw/zinc/07/08/63/569070863.db2.gz CLHSNFMABLEPKW-ZDUSSCGKSA-N 0 0 420.918 4.570 50 0 HJAARN CCCCOC(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccc(C)cc1 ZINC000006606160 569071255 /nfs/dbraw/zinc/07/12/55/569071255.db2.gz RIQMLJFEKVXYLO-UHFFFAOYSA-N 0 0 411.527 4.687 50 0 HJAARN COc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1OCc1c(F)cccc1Cl ZINC000006606600 569071301 /nfs/dbraw/zinc/07/13/01/569071301.db2.gz RCLFRRYTVNUSRR-UHFFFAOYSA-N 0 0 410.832 4.970 50 0 HJAARN CCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C1CC1 ZINC000035980886 569071920 /nfs/dbraw/zinc/07/19/20/569071920.db2.gz MZGHLMZRGMNWHL-UHFFFAOYSA-N 0 0 404.514 4.882 50 0 HJAARN Cc1noc(C)c1CN1CCc2c(C(=O)NC3CCCCCCC3)csc2C1 ZINC000426359949 569072582 /nfs/dbraw/zinc/07/25/82/569072582.db2.gz PGIGNNVQNYELIS-UHFFFAOYSA-N 0 0 401.576 4.754 50 0 HJAARN CC(C)NC(=O)/C(=C/c1ccc(-c2ccccc2Cl)o1)NC(=O)c1ccccc1 ZINC000002063889 569073810 /nfs/dbraw/zinc/07/38/10/569073810.db2.gz YXIDWHJRNFPGMM-ZHZULCJRSA-N 0 0 408.885 4.896 50 0 HJAARN Cc1ccc(-c2ncc(C(=O)N(C)Cc3ccccc3)c(N3CCC(C)CC3)n2)cc1 ZINC000035988005 569074178 /nfs/dbraw/zinc/07/41/78/569074178.db2.gz QIKSPYJGRDXCOE-UHFFFAOYSA-N 0 0 414.553 4.961 50 0 HJAARN COc1ccc(Oc2nc(-c3ccc(OC)cc3)ncc2C(=O)N2CCCCC2)cc1 ZINC000035988163 569074234 /nfs/dbraw/zinc/07/42/34/569074234.db2.gz MDJQAEKDPZCJMP-UHFFFAOYSA-N 0 0 419.481 4.579 50 0 HJAARN Cc1coc2cc3oc(=O)c(CC(=O)N[C@@H](C)CCc4ccccc4)c(C)c3cc12 ZINC000006623815 569075306 /nfs/dbraw/zinc/07/53/06/569075306.db2.gz DALYDAZGUYAUHE-INIZCTEOSA-N 0 0 403.478 4.836 50 0 biogenic HJAARN CC[C@@H](C)N(Cc1cc(Cl)ccc1OS(=O)(=O)CC)C(=O)c1cccs1 ZINC000036009397 569076233 /nfs/dbraw/zinc/07/62/33/569076233.db2.gz KJCZFICFXRVBDA-CYBMUJFWSA-N 0 0 415.964 4.571 50 0 HJAARN COc1cc(Cl)c(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c(OC)c1 ZINC000064658713 569076608 /nfs/dbraw/zinc/07/66/08/569076608.db2.gz IGVUXOSJGIHVLV-UHFFFAOYSA-N 0 0 405.809 4.921 50 0 HJAARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2cccc(F)c2F)cc1 ZINC000064656760 569076898 /nfs/dbraw/zinc/07/68/98/569076898.db2.gz FVKNCAABKVBIOX-CQSZACIVSA-N 0 0 419.474 4.642 50 0 HJAARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2ccc(F)c(F)c2)cc1 ZINC000064656829 569076983 /nfs/dbraw/zinc/07/69/83/569076983.db2.gz YFFFAAVKWRMMML-AWEZNQCLSA-N 0 0 419.474 4.642 50 0 HJAARN Cc1cccc(C(=O)N2[C@H](C(=O)N[C@H](C)c3ccccc3)COC23CCC(C)CC3)c1 ZINC000036018128 569077042 /nfs/dbraw/zinc/07/70/42/569077042.db2.gz ALEITJPGBXWUFN-MBUAXNRCSA-N 0 0 420.553 4.620 50 0 HJAARN Cc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2c(C)cc(C)cc2C)CC3)cc1 ZINC000064660347 569077932 /nfs/dbraw/zinc/07/79/32/569077932.db2.gz LUGOQOHQKKCJJB-UHFFFAOYSA-N 0 0 412.580 4.791 50 0 HJAARN CCOc1ccc2c(c1)sc1nc(-c3cccc(F)c3F)c(NCCOC)n21 ZINC000064668457 569078687 /nfs/dbraw/zinc/07/86/87/569078687.db2.gz BXBZSNYRYBRYSY-UHFFFAOYSA-N 0 0 403.454 4.951 50 0 HJAARN CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)N(CC)c1ccccc1 ZINC000064670141 569079066 /nfs/dbraw/zinc/07/90/66/569079066.db2.gz ZZHWFGMCOCANFF-UHFFFAOYSA-N 0 0 402.541 4.732 50 0 HJAARN CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)N1c2ccccc2C[C@@H]1C ZINC000064670194 569079083 /nfs/dbraw/zinc/07/90/83/569079083.db2.gz QWSMOILXFVGGQQ-AWEZNQCLSA-N 0 0 414.552 4.657 50 0 HJAARN O=C(C[C@@H]1COc2ccccc2N1Cc1ccc(F)cc1)NCc1ccc(Cl)cc1 ZINC000064663859 569079736 /nfs/dbraw/zinc/07/97/36/569079736.db2.gz SHKKIHITKIIFNC-OAQYLSRUSA-N 0 0 424.903 4.953 50 0 HJAARN Cc1ccc(CNC(=O)c2ccc(Oc3ccnc(-c4cccc(F)c4)n3)cc2)o1 ZINC000064676079 569080243 /nfs/dbraw/zinc/08/02/43/569080243.db2.gz ZRTXKNAAWBZYOJ-UHFFFAOYSA-N 0 0 403.413 4.906 50 0 HJAARN CCn1c2ccccc2nc1SCC(=O)N(C)[C@@H](C)c1nc2ccccc2s1 ZINC000006649890 569080327 /nfs/dbraw/zinc/08/03/27/569080327.db2.gz YFVBDGCVJASGLI-AWEZNQCLSA-N 0 0 410.568 4.978 50 0 HJAARN CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccccc1)C(=O)c1ccccc1 ZINC000036046042 569081956 /nfs/dbraw/zinc/08/19/56/569081956.db2.gz VUJPEALGHCEXTK-UHFFFAOYSA-N 0 0 424.504 4.640 50 0 HJAARN CCN(CC)c1cc(C(F)(F)F)nc(SCc2ccc(C(=O)NC3CC3)cc2)n1 ZINC000036045177 569081964 /nfs/dbraw/zinc/08/19/64/569081964.db2.gz XTFBNQRAMQRLMH-UHFFFAOYSA-N 0 0 424.492 4.526 50 0 HJAARN Cc1ccc(CN2CCCN(c3ccc(C(=O)NCc4cccs4)cc3)C2=O)cc1 ZINC000064687813 569082218 /nfs/dbraw/zinc/08/22/18/569082218.db2.gz CBJSKMSWKQHKEW-UHFFFAOYSA-N 0 0 419.550 4.819 50 0 HJAARN Cc1cccc(CN2CCCN(c3ccc(C(=O)NCc4cccs4)cc3)C2=O)c1 ZINC000064687859 569082246 /nfs/dbraw/zinc/08/22/46/569082246.db2.gz VWXSBUQQLBLZTK-UHFFFAOYSA-N 0 0 419.550 4.819 50 0 HJAARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccncc1)N1N=NN(c3ccccc3)C1=N2 ZINC000006654309 569082739 /nfs/dbraw/zinc/08/27/39/569082739.db2.gz JIYWYYOYPKTJQI-NRFANRHFSA-N 0 0 406.453 4.771 50 0 HJAARN Cc1cc(OCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c2c(C)cc(=O)oc2c1 ZINC000006671920 569087051 /nfs/dbraw/zinc/08/70/51/569087051.db2.gz ZZXITHXKOLFLAH-UHFFFAOYSA-N 0 0 420.509 4.664 50 0 HJAARN O=C(Nc1ccc(Cl)cc1)c1nnn(Cc2ccccc2Cl)c1-n1cccc1 ZINC000064744039 569088009 /nfs/dbraw/zinc/08/80/09/569088009.db2.gz HMPCOOPWBBWOGA-UHFFFAOYSA-N 0 0 412.280 4.676 50 0 HJAARN O=C(c1ccc(Cl)nc1)N1CCC[C@H]1c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000064747154 569088632 /nfs/dbraw/zinc/08/86/32/569088632.db2.gz NJGSAOSQLYLTNH-AWEZNQCLSA-N 0 0 422.794 4.781 50 0 HJAARN COc1cccc(-c2noc([C@@H]3CCCN3C(=O)Nc3ccc(F)c(Cl)c3)n2)c1 ZINC000064747468 569088734 /nfs/dbraw/zinc/08/87/34/569088734.db2.gz ZNGSWWBASQILGH-KRWDZBQOSA-N 0 0 416.840 4.907 50 0 HJAARN CC(C)(C)n1c(=O)c2ccc(Cl)cc2n1CC(=O)Nc1ccc(Cl)cc1F ZINC000064747967 569089168 /nfs/dbraw/zinc/08/91/68/569089168.db2.gz SUSKOOQRMNYFLS-UHFFFAOYSA-N 0 0 410.276 4.643 50 0 HJAARN COc1c2cc(Cl)ccc2sc1C(=O)N1CCN(c2ccccc2C)CC1 ZINC000064756623 569089810 /nfs/dbraw/zinc/08/98/10/569089810.db2.gz KWMVXULKRBMKLN-UHFFFAOYSA-N 0 0 400.931 4.834 50 0 HJAARN CC(=O)c1ccc(NC(=O)c2c(C)sc3ncnc(N4CCCCCC4)c32)cc1 ZINC000064758002 569091085 /nfs/dbraw/zinc/09/10/85/569091085.db2.gz YEZMYAAHCXOZLJ-UHFFFAOYSA-N 0 0 408.527 4.835 50 0 HJAARN CCc1c(C(=O)NC[C@H]2CCCO2)c(CC(C)C)nn1-c1ccc(Cl)c(Cl)c1 ZINC000006694856 569091491 /nfs/dbraw/zinc/09/14/91/569091491.db2.gz WGGZBGJCFYJOBW-OAHLLOKOSA-N 0 0 424.372 4.849 50 0 HJAARN O=C(C1CC1)N(Cc1ccccc1Cl)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000006696162 569091791 /nfs/dbraw/zinc/09/17/91/569091791.db2.gz BCGIJMNRJZRJQM-MRXNPFEDSA-N 0 0 403.309 4.925 50 0 HJAARN Cc1ccccc1C1=NO[C@@H](CN(Cc2ccccc2)C(=O)c2cccc(F)c2)C1 ZINC000006696325 569091848 /nfs/dbraw/zinc/09/18/48/569091848.db2.gz LSAJNJGKZJOLTB-JOCHJYFZSA-N 0 0 402.469 4.970 50 0 HJAARN CCCN(Cc1csc(COc2ccc(OC)cc2)n1)C(=O)Cc1ccccc1 ZINC000036106270 569092971 /nfs/dbraw/zinc/09/29/71/569092971.db2.gz DQLCCWSKTSRUTB-UHFFFAOYSA-N 0 0 410.539 4.712 50 0 HJAARN COCCCN(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)C(C)C ZINC000036106075 569092999 /nfs/dbraw/zinc/09/29/99/569092999.db2.gz UOBQUMXOLBUKQQ-UHFFFAOYSA-N 0 0 404.576 4.668 50 0 HJAARN CC(=O)N1CCc2cc(-c3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)ccc21 ZINC000064775735 569093546 /nfs/dbraw/zinc/09/35/46/569093546.db2.gz YATQBZIJMPFLER-UHFFFAOYSA-N 0 0 404.897 4.846 50 0 HJAARN COCCCN(Cc1csc(COc2ccccc2)n1)C(=O)c1ccccc1C ZINC000036114602 569093928 /nfs/dbraw/zinc/09/39/28/569093928.db2.gz CWTVABDVFGMLRM-UHFFFAOYSA-N 0 0 410.539 4.709 50 0 HJAARN CCOC(=O)[C@@H]1CCCN(C(=O)C[C@@H](c2c[nH]c3ccccc32)c2cccc(F)c2)C1 ZINC000006705852 569095369 /nfs/dbraw/zinc/09/53/69/569095369.db2.gz NMQCVMRAHCRMNI-WIYYLYMNSA-N 0 0 422.500 4.631 50 0 HJAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)[C@H](C)C(C)C ZINC000006711568 569096780 /nfs/dbraw/zinc/09/67/80/569096780.db2.gz IZEOHVFGUAQZBN-QGZVFWFLSA-N 0 0 401.595 4.910 50 0 HJAARN CCc1ccc(C(=O)Nc2ccc(Nc3cc(C)nc(N4CCCC4)n3)cc2)cc1 ZINC000064800889 569097626 /nfs/dbraw/zinc/09/76/26/569097626.db2.gz SMZCKMVHTOVVGB-UHFFFAOYSA-N 0 0 401.514 4.944 50 0 HJAARN CC(=O)N(Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C)[C@H](C)c1ccccc1 ZINC000006722304 569099506 /nfs/dbraw/zinc/09/95/06/569099506.db2.gz XUUYLJYANAKJHO-GOSISDBHSA-N 0 0 407.558 4.991 50 0 HJAARN CCNC(=O)N(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)[C@@H](C)C(C)C ZINC000006722762 569099804 /nfs/dbraw/zinc/09/98/04/569099804.db2.gz NFUKFERYSOUFAH-KRWDZBQOSA-N 0 0 404.599 4.703 50 0 HJAARN CCC(=O)N(Cc1cccc(F)c1)Cc1cc(NC(=O)C2CCC2)ccc1N(C)C ZINC000006722965 569099855 /nfs/dbraw/zinc/09/98/55/569099855.db2.gz ABWIFDYVHMCZCA-UHFFFAOYSA-N 0 0 411.521 4.569 50 0 HJAARN CC[C@H](C)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)C(=O)c1ccc(F)cc1 ZINC000006722995 569099914 /nfs/dbraw/zinc/09/99/14/569099914.db2.gz VIAKENVHWCGEOR-INIZCTEOSA-N 0 0 411.521 4.681 50 0 HJAARN Cc1ccccc1CN1c2ccccc2[C@@]2(SC(C)(C)CN2C(=O)C2CCC2)C1=O ZINC000036153048 569099937 /nfs/dbraw/zinc/09/99/37/569099937.db2.gz IKCOWGJHXIRVBP-RUZDIDTESA-N 0 0 420.578 4.849 50 0 HJAARN CC(C)CN(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C(=O)CC(C)(C)C ZINC000006723127 569099942 /nfs/dbraw/zinc/09/99/42/569099942.db2.gz ABKIGCYZMYJIAD-UHFFFAOYSA-N 0 0 401.595 4.912 50 0 HJAARN CC(C)CN(Cc1cc(NC(=O)NC(C)C)ccc1N(C)C)C(=O)CC(C)(C)C ZINC000006723232 569100314 /nfs/dbraw/zinc/10/03/14/569100314.db2.gz FRKWSFBIFOTVJF-UHFFFAOYSA-N 0 0 404.599 4.703 50 0 HJAARN Cc1ccc(NC(=O)N2CC(C)(C)S[C@@]23C(=O)Nc2ccc(Cl)cc23)cc1 ZINC000036153533 569100478 /nfs/dbraw/zinc/10/04/78/569100478.db2.gz KGJXJPDUHOCTSP-FQEVSTJZSA-N 0 0 401.919 4.813 50 0 HJAARN CCn1nc(C)c2nc(SCc3ccccc3F)n(Cc3ccc(C)cc3)c(=O)c21 ZINC000064817165 569100848 /nfs/dbraw/zinc/10/08/48/569100848.db2.gz FCSLNYRTJBTCTI-UHFFFAOYSA-N 0 0 422.529 4.709 50 0 HJAARN CC1CCC(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCC(C)CC2)CC1 ZINC000006725306 569100967 /nfs/dbraw/zinc/10/09/67/569100967.db2.gz TZQPDCPWRNZBLZ-AZTZNTAISA-N 0 0 423.601 4.716 50 0 HJAARN Cc1ccc2c(c1)[C@]1(SC(C)(C)CN1C(=O)C1CC1)C(=O)N2Cc1ccc(F)cc1 ZINC000036153193 569101392 /nfs/dbraw/zinc/10/13/92/569101392.db2.gz NEULCQWQISKPAH-DEOSSOPVSA-N 0 0 424.541 4.598 50 0 HJAARN COc1ccc(NC(=O)c2c(C)onc2-c2ccc(Br)s2)cc1OC ZINC000064820063 569102447 /nfs/dbraw/zinc/10/24/47/569102447.db2.gz ALSQDPMGXUTFLZ-UHFFFAOYSA-N 0 0 423.288 4.744 50 0 HJAARN CCOc1ccc(CCNc2ncnc3c(-c4ccccc4)noc32)cc1OCC ZINC000064820855 569102663 /nfs/dbraw/zinc/10/26/63/569102663.db2.gz SZCZEJMGEXIFJK-UHFFFAOYSA-N 0 0 404.470 4.737 50 0 HJAARN Cc1ccc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)cc1C ZINC000006736997 569104818 /nfs/dbraw/zinc/10/48/18/569104818.db2.gz UGEFDGWINQEFHP-UHFFFAOYSA-N 0 0 413.905 4.823 50 0 HJAARN COc1ccc(OC)c(CNc2nc(C)nc3c(-c4ccc(Cl)cc4)noc32)c1 ZINC000064835141 569105134 /nfs/dbraw/zinc/10/51/34/569105134.db2.gz YPUJVJBKRIPUDR-UHFFFAOYSA-N 0 0 410.861 4.876 50 0 HJAARN CN(CCc1noc(-c2ccc(F)cc2)n1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000064840217 569105428 /nfs/dbraw/zinc/10/54/28/569105428.db2.gz UZZQBABORYKBTN-UHFFFAOYSA-N 0 0 408.355 4.601 50 0 HJAARN O=c1c2sc3ccccc3c2n(Cc2ccccc2)c(=O)n1-c1ccc(F)cc1 ZINC000006739257 569105902 /nfs/dbraw/zinc/10/59/02/569105902.db2.gz FPDGVWXMDUFMMT-UHFFFAOYSA-N 0 0 402.450 4.555 50 0 HJAARN O=C(Nc1cccc([C@@H]2SCC(=O)N2c2cccc(F)c2)c1)c1cccc(F)c1 ZINC000006739792 569106633 /nfs/dbraw/zinc/10/66/33/569106633.db2.gz HKSGPJTUDWSCMF-QFIPXVFZSA-N 0 0 410.445 4.996 50 0 HJAARN COc1ccc(CN(Cc2ccco2)C(=O)c2ccc(Br)cc2)cc1 ZINC000006747552 569108337 /nfs/dbraw/zinc/10/83/37/569108337.db2.gz GAFJTMNYVWOTJA-UHFFFAOYSA-N 0 0 400.272 4.893 50 0 HJAARN CC(C)(C)[C@H]1CCc2c(sc3nc(-c4cc5ccccc5oc4=O)[nH]c(=O)c23)C1 ZINC000006748592 569108929 /nfs/dbraw/zinc/10/89/29/569108929.db2.gz QHLBPEPBHMMUAC-ZDUSSCGKSA-N 0 0 406.507 4.909 50 0 HJAARN CCOc1ccc(CCNc2c(=O)c(=O)c2-c2ccc(C(C)C)cc2)cc1OCC ZINC000006749341 569109055 /nfs/dbraw/zinc/10/90/55/569109055.db2.gz AFHYTEHOKWPWJZ-UHFFFAOYSA-N 0 0 407.510 4.525 50 0 HJAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)COc3ccc(F)cc3)CC1)N2 ZINC000064858647 569109216 /nfs/dbraw/zinc/10/92/16/569109216.db2.gz OEXYWKHPTXNEQC-UHFFFAOYSA-N 0 0 419.500 4.555 50 0 biogenic 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/nfs/dbraw/zinc/26/61/62/569266162.db2.gz GMVUAISECXCJAK-CQSZACIVSA-N 0 0 423.847 4.952 50 0 HJAARN FC(F)(F)c1cc(NC[C@H](c2cccs2)N2CCOCC2)c2ccccc2n1 ZINC000089866639 569267442 /nfs/dbraw/zinc/26/74/42/569267442.db2.gz QFSKODCWAFORPE-QGZVFWFLSA-N 0 0 407.461 4.801 50 0 HJAARN CCCCCCC(=O)N1CCN(c2cc(Oc3ccccc3Cl)ncn2)C[C@H]1C ZINC000037355798 569271735 /nfs/dbraw/zinc/27/17/35/569271735.db2.gz YSADYVKJIVWVGF-QGZVFWFLSA-N 0 0 416.953 4.930 50 0 HJAARN CCCCCCC(=O)N1CCN(c2cc(Oc3ccc(F)c(F)c3)ncn2)C[C@H]1C ZINC000037355919 569271958 /nfs/dbraw/zinc/27/19/58/569271958.db2.gz JVKLMQWGEGLYSZ-MRXNPFEDSA-N 0 0 418.488 4.555 50 0 HJAARN Cc1ccc(NC(=O)COC(=O)C2C[C@H]3CCC[C@@H](C2)C32SCCS2)cc1F ZINC000017151580 569275811 /nfs/dbraw/zinc/27/58/11/569275811.db2.gz VGMHNXMZNAEZDJ-MQVJKMGUSA-N 0 0 423.575 4.618 50 0 HJAARN COc1ccccc1-c1nc(NCC(C)C)nc2nn(-c3ccc(Cl)cc3)c(N)c21 ZINC000037358091 569276518 /nfs/dbraw/zinc/27/65/18/569276518.db2.gz GAQSQHSOMUADLM-UHFFFAOYSA-N 0 0 422.920 4.795 50 0 HJAARN Nc1c2c(nn1Cc1ccccc1)nc(NC1CCCC1)nc2-c1ccccc1F ZINC000037358279 569276558 /nfs/dbraw/zinc/27/65/58/569276558.db2.gz FOLBZLIUZCRTFW-UHFFFAOYSA-N 0 0 402.477 4.617 50 0 HJAARN COc1ccc(-n2nc3nc(NC(C)C)nc(-c4cccc(Cl)c4)c3c2N)cc1 ZINC000037358423 569276567 /nfs/dbraw/zinc/27/65/67/569276567.db2.gz UBGYUPPOBZBQOA-UHFFFAOYSA-N 0 0 408.893 4.547 50 0 HJAARN COc1cc(OC)cc(C(=O)Nc2nn(CC(C)C)c3nc4cc(C)ccc4cc23)c1 ZINC000017250529 569276979 /nfs/dbraw/zinc/27/69/79/569276979.db2.gz WHEGNRACXUWHFU-UHFFFAOYSA-N 0 0 418.497 4.818 50 0 HJAARN CCc1cccc(CC)c1NC(=O)c1ccc(OCC(=O)NCc2ccccc2)cc1 ZINC000000954986 569277005 /nfs/dbraw/zinc/27/70/05/569277005.db2.gz BZWUWMJTDTVSAQ-UHFFFAOYSA-N 0 0 416.521 4.759 50 0 HJAARN CCCCc1cc(=O)oc2c(C)c(OC(=O)[C@@H](CC)NC(=O)OC(C)(C)C)ccc12 ZINC000002092224 569280415 /nfs/dbraw/zinc/28/04/15/569280415.db2.gz LSRHBMLQLKYXQY-QGZVFWFLSA-N 0 0 417.502 4.653 50 0 biogenic HJAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)NCCC1=CCCCC1 ZINC000002094167 569280727 /nfs/dbraw/zinc/28/07/27/569280727.db2.gz HTMLFEANMCEYET-UHFFFAOYSA-N 0 0 403.478 4.846 50 0 biogenic HJAARN Cc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000000638037 569281777 /nfs/dbraw/zinc/28/17/77/569281777.db2.gz FDQINJWNCGYVAS-RPWUZVMVSA-N 0 0 410.452 4.938 50 0 HJAARN COc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@@H](c1ccc(C)cc1)N1NC=NC1=N2 ZINC000000638026 569281788 /nfs/dbraw/zinc/28/17/88/569281788.db2.gz KIYDXTJXEMXNJU-RPBOFIJWSA-N 0 0 422.488 4.808 50 0 HJAARN CCn1c(SCC(=O)Nc2ccccc2C(C)C)nc2sc(C)c(C)c2c1=O ZINC000002447936 569282752 /nfs/dbraw/zinc/28/27/52/569282752.db2.gz WTGBHNVTBAHGJW-UHFFFAOYSA-N 0 0 415.584 4.949 50 0 HJAARN Nc1c2c(nn1Cc1ccccc1)nc(N1CCCCC1)nc2-c1cccc(Cl)c1 ZINC000037361009 569283582 /nfs/dbraw/zinc/28/35/82/569283582.db2.gz UQWNIUXKIVUCAG-UHFFFAOYSA-N 0 0 418.932 4.768 50 0 HJAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000239432921 569283882 /nfs/dbraw/zinc/28/38/82/569283882.db2.gz WXDUNGYJXQGYNK-OFVILXPXSA-N 0 0 416.477 4.955 50 0 HJAARN COC(=O)Cc1c(C)c2ccc(OCc3cccc4ccccc43)c(C)c2oc1=O ZINC000002148877 569289847 /nfs/dbraw/zinc/28/98/47/569289847.db2.gz ZKDWACIDFUOACP-UHFFFAOYSA-N 0 0 402.446 4.858 50 0 biogenic HJAARN CC(C)Sc1ccc(CC(=O)N2CC[C@H](Oc3cccc4cccnc43)C2)cc1 ZINC000252492910 569290739 /nfs/dbraw/zinc/29/07/39/569290739.db2.gz MXHYUCGNMFWNIV-FQEVSTJZSA-N 0 0 406.551 4.958 50 0 HJAARN C[C@@H]1CN(c2ccc(NC(=O)N3C[C@H]4CCCC[C@]43c3ccccc3)cc2)CCO1 ZINC000252517409 569292276 /nfs/dbraw/zinc/29/22/76/569292276.db2.gz HSZRIVXKASPRDP-ZJCBTPCYSA-N 0 0 405.542 4.845 50 0 HJAARN CC[C@H](C)[C@@H](NC(=O)C1(c2ccc(OC)cc2)CCOCC1)c1nc2ccccc2[nH]1 ZINC000252536284 569292893 /nfs/dbraw/zinc/29/28/93/569292893.db2.gz IBNFVIAQJZNQJP-HTAPYJJXSA-N 0 0 421.541 4.523 50 0 HJAARN Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)cc1C ZINC000002186986 569293579 /nfs/dbraw/zinc/29/35/79/569293579.db2.gz KWPGFTLIJXSBCN-NRFANRHFSA-N 0 0 407.514 4.859 50 0 biogenic HJAARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1CCCc1nc2ccccc2[nH]1 ZINC000252549112 569294013 /nfs/dbraw/zinc/29/40/13/569294013.db2.gz QVOHQFDHFPVCGJ-UHFFFAOYSA-N 0 0 415.522 4.881 50 0 HJAARN CS(=O)(=O)N(Cc1ccccc1Br)c1ccc2c3c(cccc31)CC2 ZINC000002194573 569294154 /nfs/dbraw/zinc/29/41/54/569294154.db2.gz NUIXMSXBKGAGTH-UHFFFAOYSA-N 0 0 416.340 4.667 50 0 HJAARN Cc1cc2nc(Cc3ccccc3F)n([C@@H](C)C(=O)NCc3ccccn3)c2cc1C ZINC000037397496 569296730 /nfs/dbraw/zinc/29/67/30/569296730.db2.gz RABNWEAMDMSFMY-SFHVURJKSA-N 0 0 416.500 4.655 50 0 HJAARN Cc1nc(CCNC(=O)N(C)c2ccc(Br)cc2Cl)sc1C ZINC000170668932 569297580 /nfs/dbraw/zinc/29/75/80/569297580.db2.gz KTDSZNWRNNCJLB-UHFFFAOYSA-N 0 0 402.745 4.564 50 0 HJAARN CCS(=O)(=O)c1ccc2oc(-c3cccc(NC(=O)c4ccccc4C)c3)nc2c1 ZINC000037426124 569298651 /nfs/dbraw/zinc/29/86/51/569298651.db2.gz OBURKIOHKQPUOT-UHFFFAOYSA-N 0 0 420.490 4.849 50 0 HJAARN C[C@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccc2c(c1)OCO2 ZINC000007657089 569299238 /nfs/dbraw/zinc/29/92/38/569299238.db2.gz DRXIQJQKOKZGAB-VIFPVBQESA-N 0 0 402.661 4.632 50 0 HJAARN O=C(c1cccc(F)c1)N(Cc1cccc(F)c1)C[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000037441117 569299617 /nfs/dbraw/zinc/29/96/17/569299617.db2.gz BPURZERXRJUKGB-QFIPXVFZSA-N 0 0 424.422 4.940 50 0 HJAARN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(C)cc3OCC(F)(F)F)cc2)n1 ZINC000065871507 569300295 /nfs/dbraw/zinc/30/02/95/569300295.db2.gz AKWSANHGPMHYFV-UHFFFAOYSA-N 0 0 403.404 4.991 50 0 HJAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000007718949 569301819 /nfs/dbraw/zinc/30/18/19/569301819.db2.gz PDSBTNLSOIXPNS-XMMPIXPASA-N 0 0 410.473 4.595 50 0 HJAARN Cc1ccc(OCC(=O)N(Cc2nc(-c3ccccc3)no2)C2CCCCC2)cc1 ZINC000007721036 569302714 /nfs/dbraw/zinc/30/27/14/569302714.db2.gz UBUPPJFBTAEJJL-UHFFFAOYSA-N 0 0 405.498 4.785 50 0 HJAARN C[C@H]1C(=O)N(c2ccccc2-c2ccccc2)CCN1C(=O)c1cccc(Cl)c1 ZINC000037520944 569302911 /nfs/dbraw/zinc/30/29/11/569302911.db2.gz VJCKNBKSNBHVPG-KRWDZBQOSA-N 0 0 404.897 4.885 50 0 HJAARN C[C@H](NC(=O)c1cc(-c2ccncc2)nc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000007734804 569304558 /nfs/dbraw/zinc/30/45/58/569304558.db2.gz OCBGLKNQPRTJRM-INIZCTEOSA-N 0 0 411.461 4.559 50 0 HJAARN CCOC(=O)C1CCN(C(=O)c2cc3sc(C)cc3n2Cc2cccc(C)c2)CC1 ZINC000037542484 569305126 /nfs/dbraw/zinc/30/51/26/569305126.db2.gz LYXUMCBEZNHRES-UHFFFAOYSA-N 0 0 424.566 4.783 50 0 HJAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1CCC(=O)N1CCCC1 ZINC000037547114 569305696 /nfs/dbraw/zinc/30/56/96/569305696.db2.gz OBLJCSQRXIDSRD-UHFFFAOYSA-N 0 0 411.452 4.806 50 0 HJAARN O=C(NCc1ccccc1)[C@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccccc2F)C1 ZINC000037546013 569305817 /nfs/dbraw/zinc/30/58/17/569305817.db2.gz FWSITFRGUORPCF-XUZZJYLKSA-N 0 0 416.496 4.736 50 0 HJAARN O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)C2CCCC2)cc1)N1CCCC1 ZINC000037556593 569306383 /nfs/dbraw/zinc/30/63/83/569306383.db2.gz FUYIEDGZHHKGKX-UHFFFAOYSA-N 0 0 408.517 4.714 50 0 HJAARN O=C(CCc1c2ccccc2[nH]c1-c1ccc(F)cc1)NCc1ccc2c(c1)OCO2 ZINC000007753947 569307083 /nfs/dbraw/zinc/30/70/83/569307083.db2.gz WMFSDKIUJDEURB-UHFFFAOYSA-N 0 0 416.452 4.952 50 0 HJAARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1sc(NC(=O)C(C)(C)C)cc1C ZINC000027389089 569312188 /nfs/dbraw/zinc/31/21/88/569312188.db2.gz TUJSCQNUYYFMRT-CQSZACIVSA-N 0 0 415.559 4.822 50 0 HJAARN C[C@@H]1CCc2sc(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)cc2C1 ZINC000007814276 569312665 /nfs/dbraw/zinc/31/26/65/569312665.db2.gz YLBFGJZECWIHIE-LLVKDONJSA-N 0 0 406.433 4.725 50 0 HJAARN CC[C@@H](C)n1[nH]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000002222674 569313333 /nfs/dbraw/zinc/31/33/33/569313333.db2.gz NURNGRBKIZFTRI-QVKFZJNVSA-N 0 0 423.538 4.913 50 0 HJAARN COc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)cc(OC)c1OC ZINC000007883973 569315124 /nfs/dbraw/zinc/31/51/24/569315124.db2.gz YTRYDHRIIPLVQA-XMMPIXPASA-N 0 0 418.493 4.788 50 0 HJAARN COc1ccc([C@@H](CNC(=O)COc2ccccc2C)c2c[nH]c3ccccc32)cc1 ZINC000007890051 569315403 /nfs/dbraw/zinc/31/54/03/569315403.db2.gz ZAFOTLLTCMCNQD-JOCHJYFZSA-N 0 0 414.505 4.812 50 0 HJAARN Cc1cccc2c1nc1sc(=Cc3c4ccccc4n(C)c3-c3ccccc3)c(=O)n21 ZINC000252675560 569319501 /nfs/dbraw/zinc/31/95/01/569319501.db2.gz UJKZTKXKKMZXRR-UHFFFAOYSA-N 0 0 421.525 4.924 50 0 HJAARN CCN(CC)c1ccc2cc(C(N)=O)c(=Nc3ccc(OC(F)(F)F)cc3)oc2c1 ZINC000252675583 569319537 /nfs/dbraw/zinc/31/95/37/569319537.db2.gz ULDPVQVUAAJUIR-UHFFFAOYSA-N 0 0 419.403 4.509 50 0 HJAARN COc1ccc(N(Cc2cccs2)C(=O)CSc2nc3ccccc3[nH]2)cc1 ZINC000007901071 569320157 /nfs/dbraw/zinc/32/01/57/569320157.db2.gz QJILXZJZBSTWMD-UHFFFAOYSA-N 0 0 409.536 4.959 50 0 HJAARN CC(C)CCNC(=O)c1c(N)n(Cc2ccccc2Cl)c2nc3ccccc3nc12 ZINC000002245293 569324114 /nfs/dbraw/zinc/32/41/14/569324114.db2.gz VXHOGCSLGGVHPN-UHFFFAOYSA-N 0 0 421.932 4.644 50 0 HJAARN CC(C)Oc1cccc(-c2nnc(SCc3cccc(C(F)(F)F)c3)n2N)c1 ZINC000002246141 569324228 /nfs/dbraw/zinc/32/42/28/569324228.db2.gz RMESNUJJKYAZAS-UHFFFAOYSA-N 0 0 408.449 4.757 50 0 HJAARN Fc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2F)cc1 ZINC000002247189 569324337 /nfs/dbraw/zinc/32/43/37/569324337.db2.gz SBXYGTTZCWHMPV-DHIUTWEWSA-N 0 0 414.415 4.769 50 0 HJAARN CCOc1ccc([C@H]2Oc3ccccc3C3=Nc4ncnn4[C@@H](c4ccccc4)C32)cc1 ZINC000002267688 569326008 /nfs/dbraw/zinc/32/60/08/569326008.db2.gz COKQPBUCEUGRFT-LOSJGSFVSA-N 0 0 422.488 4.890 50 0 HJAARN CC(C)(C)OC(=O)c1c(N)n(-c2ccc(F)c(Cl)c2)c2nc3ccccc3nc21 ZINC000002254200 569326082 /nfs/dbraw/zinc/32/60/82/569326082.db2.gz ASEGPTHAJFMJFE-UHFFFAOYSA-N 0 0 412.852 4.904 50 0 HJAARN O=C(c1cc2ccccc2oc1=O)N1CCS[C@@H]1c1ccc2c3c(cccc31)CC2 ZINC000002279996 569328023 /nfs/dbraw/zinc/32/80/23/569328023.db2.gz PWUKWIFKGPHNFC-XMMPIXPASA-N 0 0 413.498 4.933 50 0 HJAARN Cc1ccc(-n2c([C@@H](C)N(C)C(=O)NC(C)(C)C)nc3ccccc3c2=O)cc1C ZINC000019927554 569357544 /nfs/dbraw/zinc/35/75/44/569357544.db2.gz YJJAFMUXSHTNMV-QGZVFWFLSA-N 0 0 406.530 4.503 50 0 HJAARN COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@@]21C ZINC000039942672 569358193 /nfs/dbraw/zinc/35/81/93/569358193.db2.gz VCWDOHJFKGOMRJ-GTJIBTHXSA-N 0 0 402.575 4.983 50 0 HJAARN O=C(Oc1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1)c1ccccc1 ZINC000136939320 569359255 /nfs/dbraw/zinc/35/92/55/569359255.db2.gz MBTQQMVQPYGBCR-MOSHPQCFSA-N 0 0 403.821 4.904 50 0 HJAARN O=C(Cc1cccc(O[C@H]2CCCCO2)c1)c1cc(O[C@@H]2CCCCO2)ccc1O ZINC000144223388 569359520 /nfs/dbraw/zinc/35/95/20/569359520.db2.gz ZLDYHZMSPOICHG-BJKOFHAPSA-N 0 0 412.482 4.628 50 0 HJAARN CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)Cc1ccccc1)c1ccccc21 ZINC000002283490 569364361 /nfs/dbraw/zinc/36/43/61/569364361.db2.gz JVUZWJJXASJPOW-UHFFFAOYSA-N 0 0 401.462 4.965 50 0 HJAARN CCCCN1CCc2c(sc(NC(=S)Nc3ccccc3)c2C(=O)OCC)C1 ZINC000027531044 569366442 /nfs/dbraw/zinc/36/64/42/569366442.db2.gz PYKXGEOTEPTVBG-UHFFFAOYSA-N 0 0 417.600 4.892 50 0 HJAARN O=c1c2ccccc2nc(-c2ccc(Br)cc2)n1NCc1ccccc1 ZINC000027532187 569367436 /nfs/dbraw/zinc/36/74/36/569367436.db2.gz IXESBWSCDVPHDQ-UHFFFAOYSA-N 0 0 406.283 4.570 50 0 HJAARN C[C@@H](NC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12)c1ccccc1 ZINC000002290234 569368988 /nfs/dbraw/zinc/36/89/88/569368988.db2.gz GNXICJSKOUQZNN-QGZVFWFLSA-N 0 0 421.504 4.706 50 0 HJAARN C[C@@H](NC(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)CCCC2 ZINC000002307013 569372560 /nfs/dbraw/zinc/37/25/60/569372560.db2.gz CBFBHHZVDKOUNK-GOSISDBHSA-N 0 0 418.537 4.599 50 0 HJAARN Cc1cc(C)cc(-n2c(N)c(C(=O)NC3CCCCC3)c3nc4ccccc4nc32)c1 ZINC000002319796 569374570 /nfs/dbraw/zinc/37/45/70/569374570.db2.gz KLUGATUMJRXPCB-UHFFFAOYSA-N 0 0 413.525 4.835 50 0 HJAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2ccc(C)cc2)cc1 ZINC000002321388 569375146 /nfs/dbraw/zinc/37/51/46/569375146.db2.gz BYEMLRZVRGTYQL-UHFFFAOYSA-N 0 0 400.478 4.850 50 0 HJAARN CCOc1cc([C@H]2NCc3cc(OCC)c(OCC)cc3-n3cccc32)ccc1O ZINC000055028076 569375789 /nfs/dbraw/zinc/37/57/89/569375789.db2.gz OXCXEWMONGDTMR-XMMPIXPASA-N 0 0 408.498 4.572 50 0 HJAARN O=C(c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1)N1CCCCCC1 ZINC000002336153 569376040 /nfs/dbraw/zinc/37/60/40/569376040.db2.gz YDGCLZKKGWGGAS-XMMPIXPASA-N 0 0 408.567 4.520 50 0 HJAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C ZINC000253507471 569382480 /nfs/dbraw/zinc/38/24/80/569382480.db2.gz ZHUOOEGSSFNTNP-QBACCNLWSA-N 0 0 406.607 4.566 50 0 HJAARN Cc1nn2c(CN(C(=O)Nc3ccccc3)c3ccccc3)nnc2c2ccccc12 ZINC000002354388 569385217 /nfs/dbraw/zinc/38/52/17/569385217.db2.gz AVWZNPZHQLHLPR-UHFFFAOYSA-N 0 0 408.465 4.825 50 0 HJAARN CC(C)CCNC(=O)c1c(N)n(-c2ccccc2Cl)c2nc3ccccc3nc12 ZINC000002359213 569385564 /nfs/dbraw/zinc/38/55/64/569385564.db2.gz AEMBGPJXUHDJTI-UHFFFAOYSA-N 0 0 407.905 4.585 50 0 HJAARN COc1ccccc1[C@H](O)[P@@](=O)(OC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000002366146 569388160 /nfs/dbraw/zinc/38/81/60/569388160.db2.gz DQRJBSVBSJPXDF-DFHRPNOPSA-N 0 0 403.459 4.705 50 0 HJAARN Cc1ccc(-n2c(N)c(C(=O)NC3CCCCC3)c3nc4ccccc4nc32)cc1C ZINC000002375735 569389394 /nfs/dbraw/zinc/38/93/94/569389394.db2.gz LUDANZFYAKXQDQ-UHFFFAOYSA-N 0 0 413.525 4.835 50 0 HJAARN CN(C)c1ccc([C@@H](O)[P@@](=O)(OCc2ccccc2)c2ccc(N(C)C)cc2)cc1 ZINC000002386618 569392129 /nfs/dbraw/zinc/39/21/29/569392129.db2.gz SZIGYIMGUCOGKS-NGQVCNFZSA-N 0 0 424.481 4.630 50 0 HJAARN CCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Br)cc1 ZINC000002388817 569392547 /nfs/dbraw/zinc/39/25/47/569392547.db2.gz XPCMLOKOPQEVDL-HOYKHHGWSA-N 0 0 412.264 4.536 50 0 HJAARN COc1cccc(-n2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)c1 ZINC000002397335 569394609 /nfs/dbraw/zinc/39/46/09/569394609.db2.gz NYPVZPHBGKHMGP-UHFFFAOYSA-N 0 0 416.481 4.654 50 0 HJAARN CC(=O)CSc1nc2ccc(NC(=O)c3ccccc3Br)cc2s1 ZINC000002397365 569394627 /nfs/dbraw/zinc/39/46/27/569394627.db2.gz PZHARHKHSIGMOB-UHFFFAOYSA-N 0 0 421.341 4.992 50 0 HJAARN COc1ccc([C@H](O)[P@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1 ZINC000002398506 569394685 /nfs/dbraw/zinc/39/46/85/569394685.db2.gz QJBBTJIQQBXLJL-SKCUWOTOSA-N 0 0 403.459 4.705 50 0 HJAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1Cc1ccco1 ZINC000002400686 569395691 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O=C(NCc1ccc(Cl)cc1)c1ccc(C[S@](=O)Cc2cccc(Cl)c2)o1 ZINC000009115887 571224325 /nfs/dbraw/zinc/22/43/25/571224325.db2.gz WNSUXJRABYHLKV-MHZLTWQESA-N 0 0 422.333 4.965 50 0 HJAARN C[C@H]1Sc2ccc(C(=O)Nc3ccc(-c4noc(C(C)(C)C)n4)cc3)cc2NC1=O ZINC000069373331 571224492 /nfs/dbraw/zinc/22/44/92/571224492.db2.gz UBGRNFNPWLMPMF-GFCCVEGCSA-N 0 0 422.510 4.719 50 0 HJAARN CCC(=O)OC[C@@]12CO[C@H](c3ccccc3OC(=O)CC)[C@@H](C(C)=C[C@H]1C)[C@@H]2C ZINC000245380151 571226964 /nfs/dbraw/zinc/22/69/64/571226964.db2.gz SILOCWNFXQCZOK-LCBZXWACSA-N 0 0 400.515 4.861 50 0 biogenic HJAARN CCCc1nc(CN(Cc2csc(CCC)n2)[C@H](C)Cn2cccn2)cs1 ZINC000069416794 571227733 /nfs/dbraw/zinc/22/77/33/571227733.db2.gz UUMMRLDMILJQJN-MRXNPFEDSA-N 0 0 403.621 4.792 50 0 HJAARN COc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)Nc1cc(Cl)ccc1C)n2C ZINC000009153858 571231568 /nfs/dbraw/zinc/23/15/68/571231568.db2.gz RLNYCBSIALIKPZ-UHFFFAOYSA-N 0 0 411.889 4.528 50 0 HJAARN COc1ccc2[nH]c(=O)c(CN(C(=O)c3ccco3)c3ccc(C)c(C)c3)cc2c1 ZINC000009184950 571234715 /nfs/dbraw/zinc/23/47/15/571234715.db2.gz QIERNASBKRWVKX-UHFFFAOYSA-N 0 0 402.450 4.594 50 0 HJAARN COc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)cc1 ZINC000009193037 571235758 /nfs/dbraw/zinc/23/57/58/571235758.db2.gz DQOLYCJVCSLESA-HXUWFJFHSA-N 0 0 418.836 4.600 50 0 HJAARN O=C(c1ccc(OCc2cn3ccccc3n2)cc1)N1CCC[C@@H]1c1cccs1 ZINC000009218176 571237710 /nfs/dbraw/zinc/23/77/10/571237710.db2.gz CSBCTGZJOLXNSX-HXUWFJFHSA-N 0 0 403.507 4.952 50 0 HJAARN CC(=O)c1ccc(Nc2nc3ccc(C(=O)c4ccccc4)cc3n3c(C)nnc23)cc1 ZINC000009224694 571238870 /nfs/dbraw/zinc/23/88/70/571238870.db2.gz XCERVWJQUMXKEM-UHFFFAOYSA-N 0 0 421.460 4.763 50 0 HJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc(F)c3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000009235826 571240046 /nfs/dbraw/zinc/24/00/46/571240046.db2.gz CGTHHUAWOJLGOO-QHAWAJNXSA-N 0 0 422.843 4.530 50 0 HJAARN O=C(COc1ccc(F)cc1)Nc1c2ccccc2oc1C(=O)N1CCCCCC1 ZINC000009265652 571243960 /nfs/dbraw/zinc/24/39/60/571243960.db2.gz IMDBNVPSSXCTGY-UHFFFAOYSA-N 0 0 410.445 4.606 50 0 HJAARN CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000009268776 571244265 /nfs/dbraw/zinc/24/42/65/571244265.db2.gz JUMJNAKKDQDRRG-UHFFFAOYSA-N 0 0 410.483 4.725 50 0 HJAARN COc1cccc(C(=O)c2c(N)c(C(=O)Nc3ccc(C)c(C)c3)c3ccccn32)c1 ZINC000009316550 571247487 /nfs/dbraw/zinc/24/74/87/571247487.db2.gz MPFQCMLKAOCXMC-UHFFFAOYSA-N 0 0 413.477 4.630 50 0 HJAARN CCOc1ccc(C(=O)c2c(N)c(C(=O)Nc3cccc(C)c3)c3ccccn32)cc1 ZINC000009316505 571247493 /nfs/dbraw/zinc/24/74/93/571247493.db2.gz FAASRJRLAYCQQN-UHFFFAOYSA-N 0 0 413.477 4.712 50 0 HJAARN Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccccc3F)c3ccccn32)cc1C ZINC000009316994 571247592 /nfs/dbraw/zinc/24/75/92/571247592.db2.gz AWKKRQSPHKUPGY-UHFFFAOYSA-N 0 0 401.441 4.761 50 0 HJAARN CCc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(F)cc3)c3ccccn32)cc1 ZINC000009317023 571247657 /nfs/dbraw/zinc/24/76/57/571247657.db2.gz WLDDKJKQHDBKHO-UHFFFAOYSA-N 0 0 401.441 4.706 50 0 HJAARN COc1ccccc1C(=O)Nc1c2ccccc2oc1C(=O)c1ccc2c(c1)OCO2 ZINC000009328376 571248474 /nfs/dbraw/zinc/24/84/74/571248474.db2.gz WFYIECVUWJDOPB-UHFFFAOYSA-N 0 0 415.401 4.653 50 0 HJAARN O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000009337262 571249362 /nfs/dbraw/zinc/24/93/62/571249362.db2.gz JUZYFADIUXEFIU-UNMCSNQZSA-N 0 0 400.526 4.646 50 0 HJAARN Cc1cc2cc(CCNC(=S)Nc3ccc(Cl)c(Cl)c3)c(=O)[nH]c2cc1C ZINC000009345181 571250055 /nfs/dbraw/zinc/25/00/55/571250055.db2.gz FSQWCXYWBVQZHD-UHFFFAOYSA-N 0 0 420.365 4.981 50 0 HJAARN CCOc1ccccc1[C@@H]1SCC(=O)Nc2c1c(=O)[nH]n2[C@H]1CCOC(C)(C)C1 ZINC000009358509 571251477 /nfs/dbraw/zinc/25/14/77/571251477.db2.gz GLHRZKVTMZEJED-UGSOOPFHSA-N 0 0 417.531 4.542 50 0 HJAARN O=C(CSc1nnc(Nc2ccc(F)cc2)s1)N[C@H]1CCCc2ccccc21 ZINC000009365957 571251915 /nfs/dbraw/zinc/25/19/15/571251915.db2.gz GAQUJJZZPBMMEK-KRWDZBQOSA-N 0 0 414.531 4.707 50 0 HJAARN Cc1noc(C)c1COc1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1 ZINC000009376568 571252946 /nfs/dbraw/zinc/25/29/46/571252946.db2.gz XRQRWQFEKJQKSQ-UHFFFAOYSA-N 0 0 416.477 4.832 50 0 HJAARN CSc1ccc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)cc1 ZINC000009388733 571254331 /nfs/dbraw/zinc/25/43/31/571254331.db2.gz OXQVACZVWINWGP-UHFFFAOYSA-N 0 0 419.428 4.534 50 0 HJAARN O=C(Nc1ccc(CN2C(=O)CSC2=O)cc1)C1(c2cccc(Cl)c2)CCC1 ZINC000070039098 571254840 /nfs/dbraw/zinc/25/48/40/571254840.db2.gz UHILMOWLGYWADJ-UHFFFAOYSA-N 0 0 414.914 4.596 50 0 HJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000009404064 571255100 /nfs/dbraw/zinc/25/51/00/571255100.db2.gz YJVCMLBEEHTQOW-UHFFFAOYSA-N 0 0 423.277 4.863 50 0 HJAARN Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(Cl)cc1Cl)C[S@](=O)C2 ZINC000009413712 571255982 /nfs/dbraw/zinc/25/59/82/571255982.db2.gz WKLRXHPOGMLPNO-HHHXNRCGSA-N 0 0 420.321 4.502 50 0 HJAARN Cc1cc(C)c(NC(=O)CSc2ccc3nnc(-c4cccc(F)c4)n3n2)c(C)c1 ZINC000009414997 571256211 /nfs/dbraw/zinc/25/62/11/571256211.db2.gz IUQIASOIIWHKJB-UHFFFAOYSA-N 0 0 421.501 4.586 50 0 HJAARN Cc1c(C)n(-c2nc3ccccc3s2)c2ncn3nc(-c4ccccc4O)nc3c12 ZINC000009418393 571256360 /nfs/dbraw/zinc/25/63/60/571256360.db2.gz HJAKRHZFIOABJW-UHFFFAOYSA-N 0 0 412.478 4.667 50 0 HJAARN O=C(Nc1nonc1-c1ccc2c(c1)CCCC2)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000009419903 571256714 /nfs/dbraw/zinc/25/67/14/571256714.db2.gz SDEYOIXIOYTYHA-UHFFFAOYSA-N 0 0 421.840 4.628 50 0 HJAARN Cc1ccc2cc(CN(c3ccccc3C)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1 ZINC000009431113 571258246 /nfs/dbraw/zinc/25/82/46/571258246.db2.gz ZDKHJQUWESESPL-UHFFFAOYSA-N 0 0 418.518 4.540 50 0 HJAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000009442893 571259361 /nfs/dbraw/zinc/25/93/61/571259361.db2.gz MKEJTCYHDBGMGZ-UHFFFAOYSA-N 0 0 413.751 4.607 50 0 HJAARN CCc1nnc(SCC(=O)Nc2ccc(Cl)cc2F)c2cc3oc(C)cc3n21 ZINC000009443051 571259511 /nfs/dbraw/zinc/25/95/11/571259511.db2.gz UDTHKHBXPZGWGQ-UHFFFAOYSA-N 0 0 418.881 4.870 50 0 HJAARN Cc1ccc(-c2nc(SCC(=O)N(C)[C@H](C)c3nc4ccccc4s3)n[nH]2)cc1 ZINC000009478679 571261906 /nfs/dbraw/zinc/26/19/06/571261906.db2.gz YNVYHNKLXCAKDV-CQSZACIVSA-N 0 0 423.567 4.702 50 0 HJAARN CCn1c(S[C@H](C)C(=O)Nc2nc(-c3ccc(F)cc3)cs2)nnc1C1CC1 ZINC000009512811 571264429 /nfs/dbraw/zinc/26/44/29/571264429.db2.gz USSCUIZAOSLBRZ-LLVKDONJSA-N 0 0 417.535 4.557 50 0 HJAARN CN(c1ccc(OCc2ncc(-c3ccccc3)o2)cc1)S(=O)(=O)c1ccccc1 ZINC000009516880 571265076 /nfs/dbraw/zinc/26/50/76/571265076.db2.gz MRULUDADOLZMJF-UHFFFAOYSA-N 0 0 420.490 4.746 50 0 HJAARN COc1ccc(-c2ocnc2C(=O)Nc2ccc(Br)cc2F)cc1OC ZINC000009527408 571266029 /nfs/dbraw/zinc/26/60/29/571266029.db2.gz NWMQGZUQTYZPMF-UHFFFAOYSA-N 0 0 421.222 4.513 50 0 HJAARN COc1ccc(OC)c(CNC(=O)c2ccc3noc(-c4ccc(C)cc4)c3c2)c1 ZINC000009528964 571266385 /nfs/dbraw/zinc/26/63/85/571266385.db2.gz KARVXDZPQUGSAH-UHFFFAOYSA-N 0 0 402.450 4.750 50 0 HJAARN O=C(COc1ccccc1-c1ccccc1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000009547497 571267796 /nfs/dbraw/zinc/26/77/96/571267796.db2.gz SAJVDPKZTSMEGT-UHFFFAOYSA-N 0 0 414.505 4.610 50 0 HJAARN C[C@H](Sc1nc2ccccc2c(Nc2ccccc2)n1)C(=O)NCc1ccco1 ZINC000009548594 571267902 /nfs/dbraw/zinc/26/79/02/571267902.db2.gz JIWOBHQJJIIHSP-HNNXBMFYSA-N 0 0 404.495 4.763 50 0 HJAARN COc1ccccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccccc1OC ZINC000009553738 571268218 /nfs/dbraw/zinc/26/82/18/571268218.db2.gz MJEFNCWLFGVDAO-LCUIJRPUSA-N 0 0 400.434 4.935 50 0 HJAARN O=C(Nc1nnc(SCc2c(F)cccc2Cl)s1)c1cc(C2CC2)on1 ZINC000070635118 571270301 /nfs/dbraw/zinc/27/03/01/571270301.db2.gz NOXXZJKLBHPKPU-UHFFFAOYSA-N 0 0 410.883 4.741 50 0 HJAARN C[C@H](NC(=O)CSc1nnc(NCc2ccco2)s1)c1cccc2ccccc21 ZINC000009580405 571270400 /nfs/dbraw/zinc/27/04/00/571270400.db2.gz AZZQVPJABVGAFL-AWEZNQCLSA-N 0 0 424.551 4.866 50 0 HJAARN C[C@@H]1Oc2ccc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)cc2NC1=O ZINC000009592875 571271934 /nfs/dbraw/zinc/27/19/34/571271934.db2.gz ARUMWNKVNOWQSI-INIZCTEOSA-N 0 0 424.460 4.511 50 0 HJAARN O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CC=C(c2ccccc2)CC1 ZINC000009603667 571273107 /nfs/dbraw/zinc/27/31/07/571273107.db2.gz KQQXUEJVSJDCBJ-UHFFFAOYSA-N 0 0 420.516 4.923 50 0 HJAARN CC(C)OCCCNc1nc2c(cnn2-c2ccccc2)c(Nc2cccc(F)c2)n1 ZINC000009622824 571274336 /nfs/dbraw/zinc/27/43/36/571274336.db2.gz AUFONDYEUIVROF-UHFFFAOYSA-N 0 0 420.492 4.925 50 0 HJAARN COc1ccc(C)cc1NC(=O)Cc1csc(NC(=O)Nc2ccc(C)cc2)n1 ZINC000009625438 571274452 /nfs/dbraw/zinc/27/44/52/571274452.db2.gz HDSLSUOGUSDHNR-UHFFFAOYSA-N 0 0 410.499 4.594 50 0 HJAARN Cc1ccc(NC(=O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1F ZINC000009631929 571274720 /nfs/dbraw/zinc/27/47/20/571274720.db2.gz PABARAASLRHBDD-UHFFFAOYSA-N 0 0 418.803 4.580 50 0 HJAARN Cc1c(-c2nsc(NC(=O)c3cccc(Cl)c3)n2)nnn1-c1ccc(C)cc1C ZINC000009638291 571275291 /nfs/dbraw/zinc/27/52/91/571275291.db2.gz WEAZBHYROBMOON-UHFFFAOYSA-N 0 0 424.917 4.617 50 0 HJAARN COc1cccc(C(=O)Nc2ccc3oc(-c4ccccc4OC)cc(=O)c3c2)c1 ZINC000009660147 571277088 /nfs/dbraw/zinc/27/70/88/571277088.db2.gz PVBSJUOJYFZHON-UHFFFAOYSA-N 0 0 401.418 4.730 50 0 HJAARN CCn1c2ccccc2c2cc(NC(=O)COCC(=O)Nc3ccc(F)cc3)ccc21 ZINC000009667280 571278194 /nfs/dbraw/zinc/27/81/94/571278194.db2.gz HKVIZVSNSCYGPZ-UHFFFAOYSA-N 0 0 419.456 4.547 50 0 HJAARN CCCn1c(SCc2c3ccccc3oc2C(=O)OCC)nnc1-c1ccncc1 ZINC000009671165 571278644 /nfs/dbraw/zinc/27/86/44/571278644.db2.gz CEEFHQOCBUEFRH-UHFFFAOYSA-N 0 0 422.510 4.965 50 0 HJAARN CC(=O)c1cccc(NC(=O)CSc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c1 ZINC000009699124 571280592 /nfs/dbraw/zinc/28/05/92/571280592.db2.gz AWCQZRFCYMZXHL-UHFFFAOYSA-N 0 0 421.309 4.712 50 0 HJAARN COc1cccc2cc(-c3cc(=O)oc4cc(C)c(OCC(=O)OC(C)C)cc43)oc21 ZINC000009708082 571280841 /nfs/dbraw/zinc/28/08/41/571280841.db2.gz VNLRISRWTSVVPE-UHFFFAOYSA-N 0 0 422.433 4.854 50 0 biogenic HJAARN O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(C2SCCCS2)cc1 ZINC000009710360 571280996 /nfs/dbraw/zinc/28/09/96/571280996.db2.gz WADKIZKGRWIZDB-UHFFFAOYSA-N 0 0 423.567 4.796 50 0 HJAARN COc1ccc(-c2c[nH]c(SCCNC(=O)c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000009713682 571281419 /nfs/dbraw/zinc/28/14/19/571281419.db2.gz DAZNNBXBBIPEKL-UHFFFAOYSA-N 0 0 421.444 4.626 50 0 HJAARN Cc1ccc2nc(NC(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)sc2c1 ZINC000009714727 571281430 /nfs/dbraw/zinc/28/14/30/571281430.db2.gz ZTJFZOXKMWEURK-UHFFFAOYSA-N 0 0 423.519 4.658 50 0 HJAARN COC(=O)c1ccccc1NC(=O)NCc1cccn1Cc1c(C)cc(C)cc1C ZINC000009723043 571282060 /nfs/dbraw/zinc/28/20/60/571282060.db2.gz MWRMXFDSKXVJTB-UHFFFAOYSA-N 0 0 405.498 4.570 50 0 HJAARN COc1ccc(CNC(=O)Cn2nc(-c3ccccc3)c3cnc4ccccc4c32)cc1 ZINC000009725593 571282290 /nfs/dbraw/zinc/28/22/90/571282290.db2.gz CFUGZXCMLDLFLE-UHFFFAOYSA-N 0 0 422.488 4.577 50 0 HJAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](Sc1nc[nH]n1)c1ccccc1 ZINC000009725650 571282372 /nfs/dbraw/zinc/28/23/72/571282372.db2.gz SLGQYXOJNHEZBB-AWEZNQCLSA-N 0 0 412.824 4.949 50 0 HJAARN Cc1csc(SCc2cc(=O)c(OC(=O)c3c(F)cccc3Cl)co2)n1 ZINC000009739641 571283256 /nfs/dbraw/zinc/28/32/56/571283256.db2.gz BCZUMISOTLVYRI-UHFFFAOYSA-N 0 0 411.863 4.709 50 0 HJAARN C[C@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000009833881 571287589 /nfs/dbraw/zinc/28/75/89/571287589.db2.gz XNWBXPDZCNHPBL-NSHDSACASA-N 0 0 417.537 4.511 50 0 HJAARN Cc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1ccc(C)c(C)c1 ZINC000009855772 571288408 /nfs/dbraw/zinc/28/84/08/571288408.db2.gz PQPVHXCPHIPZBQ-UHFFFAOYSA-N 0 0 424.500 4.796 50 0 HJAARN Cc1cc(=O)c(C(=O)Nc2ccccc2Cc2ccccc2)nn1-c1ccccc1F ZINC000009861751 571288767 /nfs/dbraw/zinc/28/87/67/571288767.db2.gz OXQNWKDQBSGERE-UHFFFAOYSA-N 0 0 413.452 4.523 50 0 HJAARN O=C(c1cc(-c2ccccn2)nc2ccccc21)N1CCc2[nH]c3ccccc3c2C1 ZINC000009900026 571289811 /nfs/dbraw/zinc/28/98/11/571289811.db2.gz QSEMXCOIWOQVFI-UHFFFAOYSA-N 0 0 404.473 4.977 50 0 biogenic HJAARN Cc1c(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000009912103 571290012 /nfs/dbraw/zinc/29/00/12/571290012.db2.gz LXTOGDMHYJYNAU-GOSISDBHSA-N 0 0 422.525 4.617 50 0 HJAARN C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CCC(C(=O)N5CCCCCC5)CC4)cc3c2C1 ZINC000009930477 571290763 /nfs/dbraw/zinc/29/07/63/571290763.db2.gz DYRRNHLHWUKBEL-GOSISDBHSA-N 0 0 421.585 4.548 50 0 HJAARN CCOc1ccccc1-c1noc(COC(=O)c2cccnc2Oc2ccccc2)n1 ZINC000009939224 571290916 /nfs/dbraw/zinc/29/09/16/571290916.db2.gz CUCSATUSUQPJML-UHFFFAOYSA-N 0 0 417.421 4.680 50 0 HJAARN Cc1c(Cl)c(CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)nc2ccccc12 ZINC000009949157 571291347 /nfs/dbraw/zinc/29/13/47/571291347.db2.gz CZNRLTUIAUDQFK-OAQYLSRUSA-N 0 0 411.914 4.542 50 0 HJAARN CCOc1cccc(CNC(=O)c2sc(Nc3ccc(Cl)cn3)nc2C)c1 ZINC000071326353 571291696 /nfs/dbraw/zinc/29/16/96/571291696.db2.gz MIZMSUJNTKJMIQ-UHFFFAOYSA-N 0 0 402.907 4.572 50 0 HJAARN COc1ccc(Cn2c(=O)c3sccc3nc2SCc2ccc(F)cc2)cc1 ZINC000071327626 571292205 /nfs/dbraw/zinc/29/22/05/571292205.db2.gz CJWORYOGJPBUJF-UHFFFAOYSA-N 0 0 412.511 4.946 50 0 HJAARN COc1ccc(-c2cn3c(C)c(C(=O)Nc4cc(OC)cc(OC)c4)sc3n2)cc1 ZINC000010069246 571294750 /nfs/dbraw/zinc/29/47/50/571294750.db2.gz HQFDGDCWAVGEIJ-UHFFFAOYSA-N 0 0 423.494 4.649 50 0 HJAARN CC(C)c1cc(C(=O)NCc2ccccc2OC(F)F)c2cnn(C(C)C)c2n1 ZINC000010115008 571295193 /nfs/dbraw/zinc/29/51/93/571295193.db2.gz VTSUJWSYLJGUPF-UHFFFAOYSA-N 0 0 402.445 4.667 50 0 HJAARN CN1c2ccccc2[C@@]2(OCc3ccccc3N2C(=O)Nc2cccc(Cl)c2)C1=O ZINC000010157786 571295578 /nfs/dbraw/zinc/29/55/78/571295578.db2.gz PTDIFOXWQIQTDH-HSZRJFAPSA-N 0 0 419.868 4.738 50 0 HJAARN CN1c2ccccc2[C@]2(OCc3ccccc3N2C(=O)Nc2ccc(Cl)cc2)C1=O ZINC000010157785 571295612 /nfs/dbraw/zinc/29/56/12/571295612.db2.gz KMHDUJMXBAYDMJ-QHCPKHFHSA-N 0 0 419.868 4.738 50 0 HJAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(=O)n(Cc2ccccc2F)c1 ZINC000010187915 571296206 /nfs/dbraw/zinc/29/62/06/571296206.db2.gz ZORLTGRQTJAJLW-UHFFFAOYSA-N 0 0 424.781 4.960 50 0 HJAARN Clc1ccc2c(c1)[C@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@@H](c1ccncc1)O2 ZINC000010215170 571296964 /nfs/dbraw/zinc/29/69/64/571296964.db2.gz SXCXSEUNERFHMP-XMSQKQJNSA-N 0 0 405.841 4.706 50 0 HJAARN CCOc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3ccc(OC)cc3)C[C@H]21 ZINC000010215637 571297118 /nfs/dbraw/zinc/29/71/18/571297118.db2.gz NZULXNUKOTWIDD-ZJSXRUAMSA-N 0 0 401.466 4.731 50 0 HJAARN CCn1c(Cc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000010300159 571299634 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O=C(c1ccc(Cl)s1)N1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000077191070 571312179 /nfs/dbraw/zinc/31/21/79/571312179.db2.gz SJMTYGHSFIZMGQ-UHFFFAOYSA-N 0 0 413.808 4.710 50 0 HJAARN Cc1nnc(-c2cc(C(C)C)n(-c3cccc(C(=O)NC4CCC(C)CC4)c3)n2)o1 ZINC000023325855 571315469 /nfs/dbraw/zinc/31/54/69/571315469.db2.gz AOMBVWCFXXMCDV-UHFFFAOYSA-N 0 0 407.518 4.663 50 0 HJAARN CC(=O)O[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C(C)(C)[C@@H](OC(C)=O)CC[C@@]4(C)[C@H]3CC[C@]12C ZINC000025662625 571315570 /nfs/dbraw/zinc/31/55/70/571315570.db2.gz RRAQNKGVKSCOEA-UKOODETBSA-N 0 0 416.558 4.628 50 0 HJAARN NC1=C(c2nc(-c3ccc(-c4ccccc4)cc3)cs2)C(=O)CN1Cc1cccnc1 ZINC000040426273 571317709 /nfs/dbraw/zinc/31/77/09/571317709.db2.gz LSXRUTKBEGGJLY-UHFFFAOYSA-N 0 0 424.529 4.584 50 0 HJAARN CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 ZINC000003780893 291274453 /nfs/dbraw/zinc/27/44/53/291274453.db2.gz RYMZZMVNJRMUDD-HGQWONQESA-N 0 0 418.574 4.586 50 0 endogenous,fda HJAARN COc1ccc(C(=O)Nc2ccccc2N2CCC(C)CC2)cc1Br ZINC000001115966 132237647 /nfs/dbraw/zinc/23/76/47/132237647.db2.gz OMFOCMQSZVXGHI-UHFFFAOYSA-N 0 0 403.320 4.946 50 0 HJAARN O=C(/C=C/c1c(F)cccc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000001116338 132237822 /nfs/dbraw/zinc/23/78/22/132237822.db2.gz DFNHGAUSFJSCNM-BQYQJAHWSA-N 0 0 412.814 4.860 50 0 HJAARN O=C(C1CCCCC1)N1CCN(c2nc(C3CC3)nc3sc4c(c32)CCCC4)CC1 ZINC000001377046 132245024 /nfs/dbraw/zinc/24/50/24/132245024.db2.gz ZUNYSQBAWFRFDN-UHFFFAOYSA-N 0 0 424.614 4.676 50 0 HJAARN Cc1ccc(-c2nc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)no2)cc1 ZINC000001390531 132245676 /nfs/dbraw/zinc/24/56/76/132245676.db2.gz COYDVRIFNXZISO-UHFFFAOYSA-N 0 0 420.513 4.769 50 0 HJAARN COc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000001447635 132246304 /nfs/dbraw/zinc/24/63/04/132246304.db2.gz MGBCTJNNPXMSMB-ROUUACIJSA-N 0 0 414.509 4.710 50 0 HJAARN C[C@H]1CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)C[C@H](C)O1 ZINC000001447662 132246315 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CCCOc1ccccc1C1C(C(=O)OC)=CN(c2cccc(C)c2)C=C1C(=O)OC ZINC000002881177 132258838 /nfs/dbraw/zinc/25/88/38/132258838.db2.gz AZFZIPFSLARACE-UHFFFAOYSA-N 0 0 421.493 4.501 50 0 HJAARN Cc1ccc(CNC(=O)c2ccc3c(c2)N(Cc2ccccc2C)C(=O)CS3)cc1 ZINC000003638362 132267294 /nfs/dbraw/zinc/26/72/94/132267294.db2.gz XKEZFEAPUOTXQI-UHFFFAOYSA-N 0 0 416.546 4.872 50 0 HJAARN Cc1nc2c(c(N3CCCCC3)n1)CN(C(=O)Nc1cccc3ccccc31)CC2 ZINC000004356882 132275759 /nfs/dbraw/zinc/27/57/59/132275759.db2.gz JIIUWPOHHVOJEH-UHFFFAOYSA-N 0 0 401.514 4.519 50 0 HJAARN C[C@@H](NC(=S)N1CCN(c2cccc(Cl)c2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000004687494 132283261 /nfs/dbraw/zinc/28/32/61/132283261.db2.gz YIPMCWHVLVBGBE-DNBYOKIBSA-N 0 0 418.050 4.941 50 0 HJAARN CCOC(=O)c1cc(NCc2cccc(Cl)c2Cl)ccc1N1CCOCC1 ZINC000004705482 132284208 /nfs/dbraw/zinc/28/42/08/132284208.db2.gz QCICFIFPLURIFA-UHFFFAOYSA-N 0 0 409.313 4.619 50 0 HJAARN O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccc(Cl)cc1 ZINC000004739311 132286567 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CC(C)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 ZINC000004954571 132296878 /nfs/dbraw/zinc/29/68/78/132296878.db2.gz QOHCQJVOBRREOS-UHFFFAOYSA-N 0 0 422.447 4.683 50 0 HJAARN CCOc1ccccc1N1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000004980882 132297684 /nfs/dbraw/zinc/29/76/84/132297684.db2.gz CRUIWARUSIKWIS-UHFFFAOYSA-N 0 0 402.538 4.987 50 0 HJAARN O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000005062935 132300128 /nfs/dbraw/zinc/30/01/28/132300128.db2.gz XBLVKZIHFPHMIZ-UHFFFAOYSA-N 0 0 407.480 4.506 50 0 HJAARN COc1ccc(CCC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1 ZINC000005099400 132300902 /nfs/dbraw/zinc/30/09/02/132300902.db2.gz WLNVKRUZCAMQPY-UHFFFAOYSA-N 0 0 420.534 4.921 50 0 HJAARN Cc1nnc(SCC(=O)Nc2ccc(N3CCCCC3)cc2)n1-c1cccc(C)c1 ZINC000005359851 132305205 /nfs/dbraw/zinc/30/52/05/132305205.db2.gz MGHYGEHCCZFUHS-UHFFFAOYSA-N 0 0 421.570 4.605 50 0 HJAARN O=C(CSc1nc[nH]n1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000005650244 132307285 /nfs/dbraw/zinc/30/72/85/132307285.db2.gz KVEQXOIUQDVPSA-UHFFFAOYSA-N 0 0 408.430 4.745 50 0 HJAARN Cc1ccc(S(=O)(=O)N2c3ccccc3[S@@](=O)c3ccc(Cl)cc32)cc1 ZINC000005794697 132308021 /nfs/dbraw/zinc/30/80/21/132308021.db2.gz IGWQFCINPFVQPP-VWLOTQADSA-N 0 0 403.912 4.656 50 0 HJAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cccc(-c3ccc(O)cc3)c2)CC1 ZINC000006256261 132309973 /nfs/dbraw/zinc/30/99/73/132309973.db2.gz INJUPKKGDADIGY-UHFFFAOYSA-N 0 0 406.913 4.983 50 0 HJAARN Cc1ccc([C@]2(C)CC(C)(C)N(C(=O)CSc3nc[nH]n3)c3ccccc32)cc1 ZINC000006427007 132311101 /nfs/dbraw/zinc/31/11/01/132311101.db2.gz BPRYWGJGWPFEMZ-QHCPKHFHSA-N 0 0 406.555 4.727 50 0 HJAARN Cc1cc(C)n(Cc2ccc(F)cc2)c1C(=O)N1CCN(c2ccccc2C)CC1 ZINC000006709729 132313414 /nfs/dbraw/zinc/31/34/14/132313414.db2.gz IVMLUEZUQIHSKX-UHFFFAOYSA-N 0 0 405.517 4.563 50 0 HJAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CC(=O)N2c2ccc(C)cc2)cc1 ZINC000006742768 132314431 /nfs/dbraw/zinc/31/44/31/132314431.db2.gz ZXUACWZLGSFRBF-VWLOTQADSA-N 0 0 403.478 4.700 50 0 HJAARN O=C(NCc1ccccc1Cl)[C@H]1CCCN(c2nc3ccccc3n3cccc23)C1 ZINC000006782610 132316311 /nfs/dbraw/zinc/31/63/11/132316311.db2.gz OWIMRBIWMPLXQG-SFHVURJKSA-N 0 0 418.928 4.674 50 0 aggregator HJAARN Cc1cc(C)cc(NC(=O)CCCN2c3ncccc3O[C@@H](c3ccccc3)C2=O)c1 ZINC000006796714 132316808 /nfs/dbraw/zinc/31/68/08/132316808.db2.gz BSXRFSUDVOFZMV-QHCPKHFHSA-N 0 0 415.493 4.584 50 0 HJAARN O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000006802788 132317532 /nfs/dbraw/zinc/31/75/32/132317532.db2.gz YRIDWTSMAMIMPU-UHFFFAOYSA-N 0 0 410.926 4.923 50 0 HJAARN Cc1cccc(N2C(=O)N(Cc3cccc(Cl)c3)c3ccccc3S2(=O)=O)c1 ZINC000006918420 132320862 /nfs/dbraw/zinc/32/08/62/132320862.db2.gz DXYAVXWKPUMKOK-UHFFFAOYSA-N 0 0 412.898 4.984 50 0 HJAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)N3CCOc4ccc(Cl)cc43)c2)c1C ZINC000007007331 132322169 /nfs/dbraw/zinc/32/21/69/132322169.db2.gz HQAIMPQSEYNZIM-UHFFFAOYSA-N 0 0 418.902 4.508 50 0 aggregator HJAARN COc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1cnn(Cc2ccccc2)c1 ZINC000007113142 132322493 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558273308 /nfs/dbraw/zinc/27/33/08/558273308.db2.gz KMPSUBAXLRFKFB-UHFFFAOYSA-N 0 0 419.506 4.637 50 0 HJAARN Cc1cc(-c2ccnc(-n3ncc(C(=O)N4CCC[C@@H](C)C4)c3C3CC3)n2)c(C)s1 ZINC000011783410 558274969 /nfs/dbraw/zinc/27/49/69/558274969.db2.gz KTSQGJDKLRZBOD-CQSZACIVSA-N 0 0 421.570 4.757 50 0 HJAARN Cn1cnnc1Sc1ccc(CN2Cc3ccccc3O[C@@H](c3ccccc3)C2)o1 ZINC000011784342 558275569 /nfs/dbraw/zinc/27/55/69/558275569.db2.gz GZBKCEZTIHFZNB-OAQYLSRUSA-N 0 0 418.522 4.695 50 0 HJAARN Cc1cccnc1-c1cccc2c1O[C@H](CNC(=O)c1ccc(OC(C)C)cc1)C2 ZINC000011790319 558277228 /nfs/dbraw/zinc/27/72/28/558277228.db2.gz OKRLFVSPLMWMRO-NRFANRHFSA-N 0 0 402.494 4.578 50 0 HJAARN CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)c2cccs2)C3)c1 ZINC000011814083 558278572 /nfs/dbraw/zinc/27/85/72/558278572.db2.gz MBQVBUSPEXPNKO-KRWDZBQOSA-N 0 0 409.482 4.799 50 0 HJAARN COc1ccc(F)cc1C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000011814734 558279003 /nfs/dbraw/zinc/27/90/03/558279003.db2.gz DNPAWSUFJXJNDQ-CYBMUJFWSA-N 0 0 424.394 4.980 50 0 HJAARN O=C(NCc1cc(-c2ccccc2)n[nH]1)c1csc2nc(-c3ccc(F)cc3)cn12 ZINC000011819831 558282960 /nfs/dbraw/zinc/28/29/60/558282960.db2.gz YATWMJCTWXEJOY-UHFFFAOYSA-N 0 0 417.469 4.522 50 0 HJAARN Cc1ccc(NC(=O)N2CCC(CO)(Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000011878164 558292575 /nfs/dbraw/zinc/29/25/75/558292575.db2.gz LVPXDWKQNHXSIH-UHFFFAOYSA-N 0 0 406.448 4.863 50 0 HJAARN COc1ccc(NC(=O)[C@H]2CC23CCN(C(=O)c2ccccc2C)CC3)cc1Cl ZINC000011881430 558295276 /nfs/dbraw/zinc/29/52/76/558295276.db2.gz VCGFLWJRQKGJGJ-GOSISDBHSA-N 0 0 412.917 4.538 50 0 HJAARN Cc1c(C(=O)NC[C@@H](C)c2ccccc2)sc2ncnc(NCc3ccccn3)c12 ZINC000011910379 558296671 /nfs/dbraw/zinc/29/66/71/558296671.db2.gz JMSGCNJMFRSPGF-OAHLLOKOSA-N 0 0 417.538 4.540 50 0 HJAARN Cc1c(C(=O)NC[C@H](C)c2ccccc2)sc2ncnc(NCc3ccccn3)c12 ZINC000011910378 558296695 /nfs/dbraw/zinc/29/66/95/558296695.db2.gz JMSGCNJMFRSPGF-HNNXBMFYSA-N 0 0 417.538 4.540 50 0 HJAARN O=C(C1CCCCC1)N(Cc1ccc(OC[C@H]2CCOC2)cc1)Cc1cccnc1 ZINC000011910954 558296921 /nfs/dbraw/zinc/29/69/21/558296921.db2.gz UMMXZGCJTKSQLV-QFIPXVFZSA-N 0 0 408.542 4.606 50 0 HJAARN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2cccc(C(C)=O)c2)CC1 ZINC000011999442 558307901 /nfs/dbraw/zinc/30/79/01/558307901.db2.gz IQKRQTUTTKSUCU-UHFFFAOYSA-N 0 0 413.945 4.931 50 0 HJAARN CC(C)c1csc(CN2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)n1 ZINC000012000130 558308174 /nfs/dbraw/zinc/30/81/74/558308174.db2.gz DCSUAZBNECOHOS-INIZCTEOSA-N 0 0 421.557 4.853 50 0 HJAARN CCCCCOc1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1Br ZINC000019943264 558314212 /nfs/dbraw/zinc/31/42/12/558314212.db2.gz SQHYAXRQQVJGFN-HUUCEWRRSA-N 0 0 418.397 4.685 50 0 HJAARN C[C@@H](CNC(=O)CC[C@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)c1ccccc1 ZINC000012099146 558325599 /nfs/dbraw/zinc/32/55/99/558325599.db2.gz DABTXOWXAYYZIS-CCLHPLFOSA-N 0 0 414.549 4.731 50 0 HJAARN CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)CCc2ccco2)C3)c1 ZINC000012100116 558326200 /nfs/dbraw/zinc/32/62/00/558326200.db2.gz BYCBQYOIAWKVMY-HXUWFJFHSA-N 0 0 421.468 4.649 50 0 HJAARN CC[C@@H](C(=O)Nc1ccccc1C(F)(F)F)n1nc(-c2ccccc2)ccc1=O ZINC000020095353 558331019 /nfs/dbraw/zinc/33/10/19/558331019.db2.gz LWTKTFNKZNLHCA-SFHVURJKSA-N 0 0 401.388 4.519 50 0 HJAARN COc1ccc([C@H]2CC(=O)c3c(C)nc(Nc4ccc(F)cc4)nc3C2)c(OC)c1 ZINC000020101967 558331957 /nfs/dbraw/zinc/33/19/57/558331957.db2.gz CWEQFIHRZZNPBM-CQSZACIVSA-N 0 0 407.445 4.598 50 0 HJAARN Cc1c(C(=O)NCCc2cccnc2)sc2ncnc(N[C@@H](C)c3cccs3)c12 ZINC000012151769 558339403 /nfs/dbraw/zinc/33/94/03/558339403.db2.gz LTQJGLPBCPIKLG-AWEZNQCLSA-N 0 0 423.567 4.602 50 0 HJAARN COc1ccc(OCc2cc(C(=O)N3CC[C@@H](C4CCCCC4)C3)no2)c(Cl)c1 ZINC000020205822 558346901 /nfs/dbraw/zinc/34/69/01/558346901.db2.gz JUMIEAHLCFGSJX-MRXNPFEDSA-N 0 0 418.921 4.958 50 0 HJAARN COc1ccc(NC(=O)N2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)cc1OC ZINC000012203232 558352006 /nfs/dbraw/zinc/35/20/06/558352006.db2.gz BRKDSHOMUXIPKN-MRXNPFEDSA-N 0 0 414.527 4.553 50 0 HJAARN COc1ccc(CSc2nc(SC)nc3sc4c(c32)CCN(C)C4)cc1 ZINC000020394282 558359318 /nfs/dbraw/zinc/35/93/18/558359318.db2.gz SIFUFRPUANAHRV-UHFFFAOYSA-N 0 0 403.598 4.702 50 0 HJAARN COc1ccc(CN2COc3c(Cl)cc4c5c(c(=O)oc4c3C2)CCCC5)cc1 ZINC000020394880 558359628 /nfs/dbraw/zinc/35/96/28/558359628.db2.gz VBVZJCLQIUEYGQ-UHFFFAOYSA-N 0 0 411.885 4.686 50 0 HJAARN Cc1cccc(O[C@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000020408352 558360684 /nfs/dbraw/zinc/36/06/84/558360684.db2.gz CIMIVOGGBDINIC-JOCHJYFZSA-N 0 0 414.549 4.696 50 0 HJAARN CC(C)CN(C)Cc1nnc(SCc2ccncc2)n1-c1cccc(Cl)c1 ZINC000012243944 558360856 /nfs/dbraw/zinc/36/08/56/558360856.db2.gz DLDPJJRLOFDYCC-UHFFFAOYSA-N 0 0 401.967 4.696 50 0 HJAARN O=C(COCc1cc(-c2ccco2)on1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000020479730 558374927 /nfs/dbraw/zinc/37/49/27/558374927.db2.gz RYXIYIIFXUBYNQ-UHFFFAOYSA-N 0 0 400.740 4.762 50 0 HJAARN C[C@@H]1CCCCN1Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn21 ZINC000012316967 558380301 /nfs/dbraw/zinc/38/03/01/558380301.db2.gz BXHMBZBIGLORHP-QGZVFWFLSA-N 0 0 422.960 4.561 50 0 HJAARN CCn1c(SCC(=O)Nc2cc(C)ccc2F)nnc1-c1cc2ccccc2o1 ZINC000010681825 558385967 /nfs/dbraw/zinc/38/59/67/558385967.db2.gz BKLWYKFBQVWWGY-UHFFFAOYSA-N 0 0 410.474 4.890 50 0 HJAARN Cc1noc(C)c1COc1ccc(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)cc1 ZINC000020616065 558392697 /nfs/dbraw/zinc/39/26/97/558392697.db2.gz NQJLQJLWPXKAMV-UHFFFAOYSA-N 0 0 420.444 4.507 50 0 HJAARN COc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)c1cccnc1Cl ZINC000012407140 558398257 /nfs/dbraw/zinc/39/82/57/558398257.db2.gz WJASVSDNKKXAGO-UHFFFAOYSA-N 0 0 406.825 4.769 50 0 HJAARN O=C([O-])[C@H](c1c[nH]c2cc(F)ccc21)[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000020715180 558401101 /nfs/dbraw/zinc/40/11/01/558401101.db2.gz UAUXRNZOMBPNQZ-NRFANRHFSA-N 0 0 411.408 4.593 50 0 HJAARN Cc1nn(-c2ncccn2)c2c1[C@H](c1ccc(Cl)cc1Cl)SCC(=O)N2 ZINC000020719474 558402544 /nfs/dbraw/zinc/40/25/44/558402544.db2.gz FKMNLFKVXSJRJR-HNNXBMFYSA-N 0 0 406.298 4.702 50 0 HJAARN COc1cccc(-c2cc(CC3(O)CCN(Cc4ccccc4Cl)CC3)on2)c1 ZINC000012431379 558405979 /nfs/dbraw/zinc/40/59/79/558405979.db2.gz CUOJFTZGMUHYCG-UHFFFAOYSA-N 0 0 412.917 4.573 50 0 HJAARN Cc1nn(-c2ncccn2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)CC(=O)N2 ZINC000020739306 558408709 /nfs/dbraw/zinc/40/87/09/558408709.db2.gz HBSZBDGDBJSRJF-FQEVSTJZSA-N 0 0 411.465 4.673 50 0 HJAARN CC(C)CN1c2ccccc2[C@]2(CC(=O)Nc3c2cnn3-c2cccc(Cl)c2)C1=O ZINC000020745768 558410795 /nfs/dbraw/zinc/41/07/95/558410795.db2.gz JCOACCMXLVTLKN-QHCPKHFHSA-N 0 0 420.900 4.806 50 0 HJAARN COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(C(=O)C4CCCC4)C3)cc2)c1 ZINC000012440438 558411695 /nfs/dbraw/zinc/41/16/95/558411695.db2.gz WWIMNAFAFHCLJG-NRFANRHFSA-N 0 0 406.526 4.730 50 0 HJAARN COC(=O)c1ccc(-n2nc(C)c3c2nc(-c2cccnc2)cc3C(F)(F)F)cc1 ZINC000012444745 558413500 /nfs/dbraw/zinc/41/35/00/558413500.db2.gz CUHFQCWKGLBXRB-UHFFFAOYSA-N 0 0 412.371 4.596 50 0 HJAARN O=C(NC[C@H]1CCCN(C(=O)c2ccsc2)C1)c1ccc(-c2ccccc2)cc1 ZINC000012463575 558419824 /nfs/dbraw/zinc/41/98/24/558419824.db2.gz BUGKYTPYWIJFPC-GOSISDBHSA-N 0 0 404.535 4.697 50 0 HJAARN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)N(C)c2ccccc2)c1 ZINC000020890310 558419876 /nfs/dbraw/zinc/41/98/76/558419876.db2.gz YIXJZSZKZUVBLD-UHFFFAOYSA-N 0 0 413.477 4.833 50 0 HJAARN C[C@@H](NC(=O)c1ccc(-c2cccs2)nc1N1CCCC1)c1nc2ccccc2[nH]1 ZINC000020915136 558422719 /nfs/dbraw/zinc/42/27/19/558422719.db2.gz NUPKTRJYNMPRPS-OAHLLOKOSA-N 0 0 417.538 4.778 50 0 HJAARN CCc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(C)cc2C)cc1 ZINC000004341744 558425344 /nfs/dbraw/zinc/42/53/44/558425344.db2.gz FJWIIQROWYOQBE-UHFFFAOYSA-N 0 0 417.538 4.726 50 0 HJAARN O=C(Nc1ccc(F)c(Cl)c1)c1oc2ccccc2c1NC(=O)[C@H]1CCCO1 ZINC000004342015 558425808 /nfs/dbraw/zinc/42/58/08/558425808.db2.gz DFSXJFMJDWHDIL-MRXNPFEDSA-N 0 0 402.809 4.595 50 0 HJAARN COc1ccc(-c2nn(-c3ccccc3C)cc2CN(C)Cc2ccon2)cc1F ZINC000012578776 558431830 /nfs/dbraw/zinc/43/18/30/558431830.db2.gz UFEDPTLTDDJOMS-UHFFFAOYSA-N 0 0 406.461 4.615 50 0 HJAARN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCc2ccccc21 ZINC000021277932 558434602 /nfs/dbraw/zinc/43/46/02/558434602.db2.gz NPVVUZXVZQXTFF-SFHVURJKSA-N 0 0 405.325 4.727 50 0 HJAARN O=C([C@@H]1Cc2ccccc2S1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000021439811 558438167 /nfs/dbraw/zinc/43/81/67/558438167.db2.gz BHLIRMSWPNJVJD-NRFANRHFSA-N 0 0 409.532 4.770 50 0 HJAARN CCC[C@@H](Sc1nnc(-c2cccnc2)n1-c1cccc(Cl)c1)C(=O)OCC ZINC000004356232 558443607 /nfs/dbraw/zinc/44/36/07/558443607.db2.gz WMKVMIPLHRJPEF-QGZVFWFLSA-N 0 0 416.934 4.807 50 0 HJAARN CCOC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1-c1ccc(C)cc1 ZINC000004356247 558443763 /nfs/dbraw/zinc/44/37/63/558443763.db2.gz VFOIPRYACGPPSM-CQSZACIVSA-N 0 0 401.919 4.940 50 0 HJAARN Cc1cccc(OCc2nc3ccccc3n2C[C@H](O)COc2ccc(C)cc2C)c1 ZINC000021659908 558444889 /nfs/dbraw/zinc/44/48/89/558444889.db2.gz ONJJECRPULUASZ-NRFANRHFSA-N 0 0 416.521 4.980 50 0 HJAARN COC(=O)c1c(-c2cccs2)csc1NC(=O)COc1ccc(Cl)cc1 ZINC000021785449 558448471 /nfs/dbraw/zinc/44/84/71/558448471.db2.gz LEMSQFJPFDRNOD-UHFFFAOYSA-N 0 0 407.900 4.934 50 0 HJAARN Cc1cc(NC[C@@H]2CCCO2)n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2n1 ZINC000021790532 558448917 /nfs/dbraw/zinc/44/89/17/558448917.db2.gz ZWJHQPXBYJYBIJ-LBPRGKRZSA-N 0 0 410.827 4.968 50 0 HJAARN Cc1nc(CCNC(=O)c2cc(COc3cc(C)c(Cl)c(C)c3)on2)sc1C ZINC000012706953 558450241 /nfs/dbraw/zinc/45/02/41/558450241.db2.gz MZLMVOUAZOZABV-UHFFFAOYSA-N 0 0 419.934 4.570 50 0 HJAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2occc2C)c1OC ZINC000012714019 558454140 /nfs/dbraw/zinc/45/41/40/558454140.db2.gz AVRAJKFEFVDKGO-JOCHJYFZSA-N 0 0 416.477 4.874 50 0 HJAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCCNC(=O)c1ccc(Cl)cc1 ZINC000021915170 558455344 /nfs/dbraw/zinc/45/53/44/558455344.db2.gz SNJWXWHLDIXTLU-UHFFFAOYSA-N 0 0 412.839 4.527 50 0 HJAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)c1ccncc1 ZINC000021925184 558455664 /nfs/dbraw/zinc/45/56/64/558455664.db2.gz HJOCFRYMZVZORJ-UHFFFAOYSA-N 0 0 402.885 4.860 50 0 HJAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3occc3C)C2)cc1Cl ZINC000012751790 558459107 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COc1ccc(-c2noc(-c3ccccc3NC(=O)/C=C/c3ccco3)n2)cc1OC ZINC000022462029 558490863 /nfs/dbraw/zinc/49/08/63/558490863.db2.gz PAMXHPLWVUXNCG-ZRDIBKRKSA-N 0 0 417.421 4.666 50 0 HJAARN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000022466340 558491067 /nfs/dbraw/zinc/49/10/67/558491067.db2.gz FGFVLFHLCOYXPJ-UHFFFAOYSA-N 0 0 404.941 4.930 50 0 HJAARN COc1ccc([C@H](NC(=O)c2cc3c(s2)CCCCCC3)c2nccn2C)cc1 ZINC000022471123 558491588 /nfs/dbraw/zinc/49/15/88/558491588.db2.gz PYJYPTRNPUZPBQ-NRFANRHFSA-N 0 0 409.555 4.669 50 0 HJAARN O=C(c1ccc(O)cc1)C1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000010846023 558492703 /nfs/dbraw/zinc/49/27/03/558492703.db2.gz PTJVWOBRMRMBQR-UHFFFAOYSA-N 0 0 408.445 4.703 50 0 HJAARN CC(=O)c1ccc(NC(=O)[C@H](C)SCc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000012986956 558495654 /nfs/dbraw/zinc/49/56/54/558495654.db2.gz JNJQEMLCMBYWBG-ZDUSSCGKSA-N 0 0 415.902 4.853 50 0 HJAARN Cc1ccccc1[C@H](OC(=O)CCc1nc(-c2ccc(F)cc2)no1)C(F)(F)F ZINC000012993682 558497719 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COc1ccccc1C(=O)NCCCc1nc2ccccc2n1Cc1ccccc1C ZINC000013039576 558506077 /nfs/dbraw/zinc/50/60/77/558506077.db2.gz BLCGHYBAIPZSCV-UHFFFAOYSA-N 0 0 413.521 4.764 50 0 HJAARN CCOc1ccc(-c2nc(CN(C)CC(=O)Nc3ccccc3Cl)cs2)cc1 ZINC000013063506 558510552 /nfs/dbraw/zinc/51/05/52/558510552.db2.gz JFBINNXHEIEIEU-UHFFFAOYSA-N 0 0 415.946 4.933 50 0 HJAARN C[C@@H](CC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1 ZINC000013071270 558511430 /nfs/dbraw/zinc/51/14/30/558511430.db2.gz DDBDXLFHKOXHNX-AWEZNQCLSA-N 0 0 411.855 4.596 50 0 HJAARN CCCOc1c(Cl)cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1OC ZINC000013095299 558512668 /nfs/dbraw/zinc/51/26/68/558512668.db2.gz MLHLWEGDYXXNPP-UHFFFAOYSA-N 0 0 416.949 4.717 50 0 HJAARN C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000013121074 558517384 /nfs/dbraw/zinc/51/73/84/558517384.db2.gz SOOKATJEANFWFH-AWEZNQCLSA-N 0 0 424.595 4.873 50 0 HJAARN COc1cccc(-c2nnc(SCC(=O)Nc3c(Cl)cccc3Cl)n2C)c1 ZINC000013134679 558520735 /nfs/dbraw/zinc/52/07/35/558520735.db2.gz 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CCS(=O)(=O)Nc1ccc(NC(=O)c2cc3c(s2)CCCCCC3)cc1C ZINC000059886920 558599887 /nfs/dbraw/zinc/59/98/87/558599887.db2.gz BLDBEOYYCPFPBF-UHFFFAOYSA-N 0 0 406.573 4.729 50 0 HJAARN CCOc1ccc(-c2noc(CCCC(=O)Nc3ccccc3Cl)n2)cc1OC ZINC000004488183 558601109 /nfs/dbraw/zinc/60/11/09/558601109.db2.gz DXLKYXTZSFIOOG-UHFFFAOYSA-N 0 0 415.877 4.759 50 0 HJAARN Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1 ZINC000013936210 558603795 /nfs/dbraw/zinc/60/37/95/558603795.db2.gz ITYXSEYPDCXZKC-UHFFFAOYSA-N 0 0 411.552 4.913 50 0 HJAARN O=C(CN1CCC[C@@H](c2nc3ccccc3o2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000024662577 558606702 /nfs/dbraw/zinc/60/67/02/558606702.db2.gz YQYSVNDBCLPLCT-CQSZACIVSA-N 0 0 419.403 4.545 50 0 HJAARN C[C@H](c1ccccc1)n1c(=O)c2ccccc2nc1SCc1nccn1C(F)F ZINC000024718538 558608855 /nfs/dbraw/zinc/60/88/55/558608855.db2.gz KYMXEESCDCAIHJ-CQSZACIVSA-N 0 0 412.465 4.890 50 0 HJAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)cn3)c12 ZINC000013961320 558609128 /nfs/dbraw/zinc/60/91/28/558609128.db2.gz 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50 0 HJAARN COc1ccc(OC)c(C(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1 ZINC000024991587 558626075 /nfs/dbraw/zinc/62/60/75/558626075.db2.gz BMMTVDKWXXLDJS-QGZVFWFLSA-N 0 0 418.493 4.789 50 0 HJAARN COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc(Cl)c1OC ZINC000024991839 558626106 /nfs/dbraw/zinc/62/61/06/558626106.db2.gz UIYUTGVTVYVYHD-UHFFFAOYSA-N 0 0 416.886 4.668 50 0 HJAARN C[C@@H]1CC2(CCCC2)N2C(=O)[C@]3(NCCc4c5ccccc5[nH]c43)c3cc(F)cc1c32 ZINC000014162435 558626312 /nfs/dbraw/zinc/62/63/12/558626312.db2.gz NIYJZVRPYNEMJD-WZQKQDCOSA-N 0 0 415.512 4.863 50 0 biogenic HJAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000024992820 558626539 /nfs/dbraw/zinc/62/65/39/558626539.db2.gz SQFKAAQJXMDERY-UHFFFAOYSA-N 0 0 416.447 4.566 50 0 HJAARN CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000025001678 558626699 /nfs/dbraw/zinc/62/66/99/558626699.db2.gz FYGQSMRZADJTAS-OAHLLOKOSA-N 0 0 405.420 4.616 50 0 HJAARN O=C(CSc1ncnc2cc(-c3ccc(F)cc3)sc21)NCc1cccs1 ZINC000014170030 558627299 /nfs/dbraw/zinc/62/72/99/558627299.db2.gz ARUFJWUHPIKNBL-UHFFFAOYSA-N 0 0 415.540 4.967 50 0 HJAARN Cc1ccn2c(=O)cc(COC(=O)C3(c4ccc(C(C)(C)C)cc4)CCCC3)nc2c1 ZINC000025051987 558628745 /nfs/dbraw/zinc/62/87/45/558628745.db2.gz QLPIANDNLYZKOI-UHFFFAOYSA-N 0 0 418.537 4.856 50 0 HJAARN COc1ccc([C@@H]2CCCN2C(=O)c2csc(-c3ccsc3)n2)c(OC)c1 ZINC000014183888 558629416 /nfs/dbraw/zinc/62/94/16/558629416.db2.gz JFNKVXMALUXRCS-KRWDZBQOSA-N 0 0 400.525 4.866 50 0 HJAARN COc1cccc(-n2cnnc2S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000025096820 558631601 /nfs/dbraw/zinc/63/16/01/558631601.db2.gz ZIWQPTSJTSRDGU-NSHDSACASA-N 0 0 423.325 4.702 50 0 HJAARN CCN1c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2OCC(C)(C)C1=O ZINC000010972213 558633088 /nfs/dbraw/zinc/63/30/88/558633088.db2.gz DJZXQIDXDYKNED-UHFFFAOYSA-N 0 0 406.404 4.729 50 0 HJAARN CCn1c(Cc2ccccc2)nnc1SCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000014197505 558634233 /nfs/dbraw/zinc/63/42/33/558634233.db2.gz GUVLMDYELLNGJL-UHFFFAOYSA-N 0 0 409.490 4.679 50 0 HJAARN C[C@@H](NC(=O)C1(c2ccc(Br)cc2)CC1)c1ccccc1OC(F)F ZINC000025300592 558636994 /nfs/dbraw/zinc/63/69/94/558636994.db2.gz OPOMJVCNDMIGTO-GFCCVEGCSA-N 0 0 410.258 4.960 50 0 HJAARN C[C@H](NC(=O)C1(c2ccc(Br)cc2)CC1)c1ccccc1OC(F)F ZINC000025300595 558637261 /nfs/dbraw/zinc/63/72/61/558637261.db2.gz OPOMJVCNDMIGTO-LBPRGKRZSA-N 0 0 410.258 4.960 50 0 HJAARN Cc1ccc(N2CCN(Cc3csc(-c4ccc5c(c4)OCO5)n3)C[C@H]2C)cc1 ZINC000014216424 558638143 /nfs/dbraw/zinc/63/81/43/558638143.db2.gz HJEZVWPMELFVSJ-QGZVFWFLSA-N 0 0 407.539 4.558 50 0 HJAARN c1ccc2c(c1)CCC[C@@H]2Nc1nc(CN2CCOCC2)nc2sc3c(c21)CCC3 ZINC000025397140 558640024 /nfs/dbraw/zinc/64/00/24/558640024.db2.gz DJDNZWVBGPOKAG-IBGZPJMESA-N 0 0 420.582 4.502 50 0 HJAARN Cc1cc2oc(=O)cc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)c2cc1Cl ZINC000025421831 558640402 /nfs/dbraw/zinc/64/04/02/558640402.db2.gz HXMYLYIOBQUYMC-LJQANCHMSA-N 0 0 411.885 4.863 50 0 HJAARN COc1cc(CNC(=O)c2ccc(C(F)(F)F)nc2)ccc1OCc1ccccc1 ZINC000025588779 558645008 /nfs/dbraw/zinc/64/50/08/558645008.db2.gz QVONZCKXLINIQG-UHFFFAOYSA-N 0 0 416.399 4.618 50 0 HJAARN CC[C@@H](c1nnc(SCc2cc(-c3ccco3)on2)n1Cc1ccccc1)N(C)C ZINC000014244641 558645926 /nfs/dbraw/zinc/64/59/26/558645926.db2.gz QRUFEVADHITNQG-SFHVURJKSA-N 0 0 423.542 4.879 50 0 HJAARN C[C@@H](OCCCNC(=O)[C@H](NC(=O)c1cccs1)c1ccccc1)c1ccccc1 ZINC000025672890 558647396 /nfs/dbraw/zinc/64/73/96/558647396.db2.gz JIAHYIBDBXKUPJ-XMSQKQJNSA-N 0 0 422.550 4.503 50 0 HJAARN O=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1)Cc1cccc2cccnc21 ZINC000025812315 558650791 /nfs/dbraw/zinc/65/07/91/558650791.db2.gz AKNRNGNUJAEDMH-UHFFFAOYSA-N 0 0 406.482 4.765 50 0 HJAARN S=c1n(CN2CCC(c3nc4cc(Cl)ccc4s3)CC2)nc2ccccn21 ZINC000014254042 558651053 /nfs/dbraw/zinc/65/10/53/558651053.db2.gz HFIRUHVSCKZMPK-UHFFFAOYSA-N 0 0 415.975 4.965 50 0 HJAARN NC(=O)N[C@H](CC(=O)Nc1ccccc1Oc1ccccc1)c1ccc(Cl)cc1 ZINC000025985231 558653186 /nfs/dbraw/zinc/65/31/86/558653186.db2.gz PJWGHRNNRSNCCK-LJQANCHMSA-N 0 0 409.873 4.871 50 0 HJAARN CCOc1ccc(CCC2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)cc1 ZINC000026053026 558654488 /nfs/dbraw/zinc/65/44/88/558654488.db2.gz RRZHOAUFMIIXCF-UHFFFAOYSA-N 0 0 405.494 4.677 50 0 HJAARN O=C(c1ccccc1OC(F)F)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000014498438 558655387 /nfs/dbraw/zinc/65/53/87/558655387.db2.gz GFLUGHOOROPMPI-ZDUSSCGKSA-N 0 0 404.438 4.724 50 0 HJAARN O=C(c1ccccc1OC(F)F)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000014498442 558655396 /nfs/dbraw/zinc/65/53/96/558655396.db2.gz GFLUGHOOROPMPI-CYBMUJFWSA-N 0 0 404.438 4.724 50 0 HJAARN CC(=O)NCCc1ccc(C(=O)CSc2nc(C)c(C)n2C2CCCCC2)s1 ZINC000026107876 558655491 /nfs/dbraw/zinc/65/54/91/558655491.db2.gz OSZSVVLVLCEUCO-UHFFFAOYSA-N 0 0 419.616 4.720 50 0 HJAARN COc1ccc(C(=O)C2CCN(C(=O)c3c(C)c(C)sc3-n3cccc3)CC2)cc1 ZINC000026131537 558656125 /nfs/dbraw/zinc/65/61/25/558656125.db2.gz FLSONXKDSDJRFY-UHFFFAOYSA-N 0 0 422.550 4.899 50 0 HJAARN COCc1c(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)sc2cccc(F)c21 ZINC000026390664 558660146 /nfs/dbraw/zinc/66/01/46/558660146.db2.gz XTZHSJJHCQWWNV-CQSZACIVSA-N 0 0 424.501 4.601 50 0 HJAARN Cc1ccc(C)c(OCc2nnc(S[C@@H](C(=O)N3CCCC3)c3ccccc3)o2)c1 ZINC000026491895 558661872 /nfs/dbraw/zinc/66/18/72/558661872.db2.gz QQHSXWJBOXVFTF-OAQYLSRUSA-N 0 0 423.538 4.721 50 0 HJAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1ccccc1OC(F)(F)F ZINC000026533962 558662565 /nfs/dbraw/zinc/66/25/65/558662565.db2.gz UYKOQIJNGXFWTK-UHFFFAOYSA-N 0 0 406.326 4.946 50 0 HJAARN O=C(NCC12CC3CC(CC(C3)C1)C2)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000014688041 558663786 /nfs/dbraw/zinc/66/37/86/558663786.db2.gz MKFHADUKNKPFAL-UHFFFAOYSA-N 0 0 414.977 4.525 50 0 HJAARN C[C@H]1Sc2ccc(C(=O)Nc3nc(-c4cc(F)ccc4F)cs3)cc2NC1=O ZINC000014706999 558664451 /nfs/dbraw/zinc/66/44/51/558664451.db2.gz WHVMYNRDTTXBHJ-SECBINFHSA-N 0 0 417.462 4.773 50 0 HJAARN O=C(Nc1ccc(OC[C@@H](O)COCc2ccccc2Cl)cc1)c1cccs1 ZINC000027213918 558670855 /nfs/dbraw/zinc/67/08/55/558670855.db2.gz FONIODCZIDIYNC-KRWDZBQOSA-N 0 0 417.914 4.610 50 0 HJAARN CCCN(Cc1ccc(C)cc1)C(=O)COC(=O)/C=C/c1cccc2cccnc12 ZINC000014812620 558674089 /nfs/dbraw/zinc/67/40/89/558674089.db2.gz DRORFMLMRGKVOF-BUHFOSPRSA-N 0 0 402.494 4.538 50 0 HJAARN CC(C)Oc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 ZINC000027580495 558675821 /nfs/dbraw/zinc/67/58/21/558675821.db2.gz HSIGVGHXCYYVDX-ZDUSSCGKSA-N 0 0 401.850 4.583 50 0 HJAARN CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)Cc2ccsc2)C3)c1 ZINC000014882147 558676496 /nfs/dbraw/zinc/67/64/96/558676496.db2.gz MLKKUSBXMDAQTA-IBGZPJMESA-N 0 0 423.509 4.728 50 0 HJAARN COc1cccc(CN2CCOc3c(cc(-c4ccccc4OC)cc3OC)C2)c1 ZINC000014888991 558678031 /nfs/dbraw/zinc/67/80/31/558678031.db2.gz DDXYXFZMYPEUDX-UHFFFAOYSA-N 0 0 405.494 4.774 50 0 HJAARN Cc1ccccc1Nc1nnc(SCCCc2nc(-c3ccncc3)no2)s1 ZINC000014902339 558678684 /nfs/dbraw/zinc/67/86/84/558678684.db2.gz WSOYTKMHMLFKFK-UHFFFAOYSA-N 0 0 410.528 4.760 50 0 HJAARN COc1ccc([C@@H](CNC(=O)c2ccccc2OC)c2c[nH]c3ccccc32)cc1 ZINC000027744526 558681084 /nfs/dbraw/zinc/68/10/84/558681084.db2.gz GYFKQMXNPMQSTD-OAQYLSRUSA-N 0 0 400.478 4.747 50 0 HJAARN Cc1cccc(C)c1OCC(=O)Nc1cc(-c2ccc(Br)cc2)no1 ZINC000027747341 558681423 /nfs/dbraw/zinc/68/14/23/558681423.db2.gz KWCIIRNOSSQJDL-UHFFFAOYSA-N 0 0 401.260 4.738 50 0 HJAARN CCc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCc2cnccn2)cc1 ZINC000014957217 558682959 /nfs/dbraw/zinc/68/29/59/558682959.db2.gz PYHPPFGQBNCENS-AREMUKBSSA-N 0 0 410.521 4.627 50 0 HJAARN CC(C)c1noc([C@H](C)Sc2nnc(N3CCCC3)n2-c2ccccc2Cl)n1 ZINC000027813081 558683381 /nfs/dbraw/zinc/68/33/81/558683381.db2.gz WBIRJLAPYOCMMQ-ZDUSSCGKSA-N 0 0 418.954 4.881 50 0 HJAARN O=C(c1cc(=O)c2ccccc2o1)N(Cc1cccc2ccccc21)C[C@@H]1CCCO1 ZINC000027990639 558688238 /nfs/dbraw/zinc/68/82/38/558688238.db2.gz HJHDKQPYRBZARR-FQEVSTJZSA-N 0 0 413.473 4.768 50 0 HJAARN CC(=O)c1c(C)cc(C)c(CN2C(=O)N[C@@](C)(c3cccc4ccccc43)C2=O)c1C ZINC000028186410 558691492 /nfs/dbraw/zinc/69/14/92/558691492.db2.gz DTSXHHOXEALWJK-SANMLTNESA-N 0 0 414.505 4.935 50 0 HJAARN O=C(NCc1nnc(SCC2CCCCC2)n1-c1ccc(F)cc1)c1ccoc1 ZINC000014987580 558693256 /nfs/dbraw/zinc/69/32/56/558693256.db2.gz ZKVSLBVLSXYMSH-UHFFFAOYSA-N 0 0 414.506 4.602 50 0 HJAARN CCc1ccc(CN(C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccn2)cc1 ZINC000028286867 558694257 /nfs/dbraw/zinc/69/42/57/558694257.db2.gz MHDQPSAGSYNAFT-UHFFFAOYSA-N 0 0 406.482 4.517 50 0 HJAARN Cc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3ccccc3Cl)cs2)cc1 ZINC000028288816 558695806 /nfs/dbraw/zinc/69/58/06/558695806.db2.gz XKBCPHGOHTYQIQ-HNNXBMFYSA-N 0 0 400.931 4.898 50 0 HJAARN Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccc3ncccc3c2)cs1 ZINC000072274819 558700893 /nfs/dbraw/zinc/70/08/93/558700893.db2.gz LQVPOYFLKYAKGH-UHFFFAOYSA-N 0 0 417.490 4.538 50 0 HJAARN Cn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1cc2ccccc2o1 ZINC000015018990 558703130 /nfs/dbraw/zinc/70/31/30/558703130.db2.gz CJKBFDFDVQDCEB-UHFFFAOYSA-N 0 0 421.507 4.569 50 0 HJAARN O=C(CCc1ccc(-c2ccccc2F)o1)NCc1ccccc1Cn1cccn1 ZINC000028794015 558704441 /nfs/dbraw/zinc/70/44/41/558704441.db2.gz YQVKEYCBCSDFKN-UHFFFAOYSA-N 0 0 403.457 4.580 50 0 HJAARN Cc1nc2scc(-c3cccs3)c2c(NCc2ccc(-n3ccnc3)nc2)n1 ZINC000029036348 558708783 /nfs/dbraw/zinc/70/87/83/558708783.db2.gz MKFQVIQCMVMTGQ-UHFFFAOYSA-N 0 0 404.524 4.921 50 0 HJAARN O=C(OCc1nc2ccccc2s1)c1csc(COc2ccc(F)cc2)n1 ZINC000029520196 558716376 /nfs/dbraw/zinc/71/63/76/558716376.db2.gz JOHRSBIBFYBQOH-UHFFFAOYSA-N 0 0 400.456 4.828 50 0 HJAARN CC(C)[C@@H](CNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)NC(=O)OC(C)(C)C ZINC000072286135 558717012 /nfs/dbraw/zinc/71/70/12/558717012.db2.gz JOBCTJQHFVRCJK-CQSZACIVSA-N 0 0 414.333 4.754 50 0 HJAARN COc1cc(C(=O)Nc2ccc(Cl)cc2F)ccc1OCc1c(C)noc1C ZINC000015077327 558717140 /nfs/dbraw/zinc/71/71/40/558717140.db2.gz DUDJXRVGGXUBCC-UHFFFAOYSA-N 0 0 404.825 4.924 50 0 HJAARN Cc1ccc(C(=O)c2ccccc2C(=O)N(C)Cc2ccc3c(c2)OCO3)cc1C ZINC000029691650 558718943 /nfs/dbraw/zinc/71/89/43/558718943.db2.gz HDLYGLRZSXGRKF-UHFFFAOYSA-N 0 0 401.462 4.535 50 0 HJAARN C[C@H](Sc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3)c1nc(-c2ccco2)no1 ZINC000029738774 558719665 /nfs/dbraw/zinc/71/96/65/558719665.db2.gz RNZJMOQIESFELM-UWVGGRQHSA-N 0 0 413.528 4.895 50 0 HJAARN COc1ccc(C(=O)Nc2ccc(N3CCCn4c(nc5ccccc54)C3)cc2)cc1 ZINC000015107388 558723237 /nfs/dbraw/zinc/72/32/37/558723237.db2.gz IYUMIVQTCDOMHL-UHFFFAOYSA-N 0 0 412.493 4.708 50 0 HJAARN COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)sc2c1CCCC2 ZINC000004558263 558724074 /nfs/dbraw/zinc/72/40/74/558724074.db2.gz MBHVYPOFHFRFGE-GFCCVEGCSA-N 0 0 407.919 4.781 50 0 HJAARN C[C@H](Sc1ncnc2cc(-c3ccc(Br)cc3)sc21)C(=O)N(C)C ZINC000029970937 558725062 /nfs/dbraw/zinc/72/50/62/558725062.db2.gz ZRVMRJXRRLHERE-JTQLQIEISA-N 0 0 422.373 4.690 50 0 HJAARN Cc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3cc(C)ccc3C)C2=O)c(C)c1 ZINC000004556259 558725590 /nfs/dbraw/zinc/72/55/90/558725590.db2.gz ZBFZEDMBHXLXCI-HHHXNRCGSA-N 0 0 413.517 4.928 50 0 HJAARN Cc1c(C(=O)Nc2cccc(CN3CCCC3=O)c2)sc2nc(C3CC3)nc(C)c12 ZINC000030127225 558727185 /nfs/dbraw/zinc/72/71/85/558727185.db2.gz VPQXJDRJXKISFD-UHFFFAOYSA-N 0 0 420.538 4.560 50 0 HJAARN COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000030476569 558730823 /nfs/dbraw/zinc/73/08/23/558730823.db2.gz MEJOCIUWULBLOB-UHFFFAOYSA-N 0 0 420.534 4.508 50 0 HJAARN CCN(C(=O)c1cn(CC(C)C)c(=O)c2cc(OC)c(OC)cc12)c1ccccc1C ZINC000004563382 558733057 /nfs/dbraw/zinc/73/30/57/558733057.db2.gz KEFQZMFBKVGKRT-UHFFFAOYSA-N 0 0 422.525 4.650 50 0 HJAARN CCN(C(=O)c1cc2c(s1)c1ccccc1oc2=O)c1cc(OC)ccc1OC ZINC000004563613 558733221 /nfs/dbraw/zinc/73/32/21/558733221.db2.gz DZPPQVBRUAHRMA-UHFFFAOYSA-N 0 0 409.463 4.692 50 0 HJAARN CSCCSC1=N/C(=C\c2ccc3c(c2)OCO3)C(=O)N1c1ccc(C)cc1 ZINC000004564022 558733588 /nfs/dbraw/zinc/73/35/88/558733588.db2.gz OGGYWXMXCDSNHL-BOPFTXTBSA-N 0 0 412.536 4.564 50 0 HJAARN COc1cc(Br)cc2cc(C(=O)Nc3ccccc3C(C)C)c(=O)oc21 ZINC000030769005 558737912 /nfs/dbraw/zinc/73/79/12/558737912.db2.gz AGVQIYDCLXBBDR-UHFFFAOYSA-N 0 0 416.271 4.940 50 0 HJAARN COc1ccccc1N1C(=O)CN(c2cccc(C)c2C)C(=O)[C@@H]1c1ccc(C)cc1 ZINC000015412849 558738341 /nfs/dbraw/zinc/73/83/41/558738341.db2.gz YDZXJXDAJPDJBC-VWLOTQADSA-N 0 0 414.505 4.742 50 0 HJAARN Cc1coc2c1cc1c(C)c(CCC(=O)N3CCc4ccccc4C3)c(=O)oc1c2C ZINC000030819189 558738646 /nfs/dbraw/zinc/73/86/46/558738646.db2.gz AXALLDGRJPIBFB-UHFFFAOYSA-N 0 0 415.489 4.982 50 0 HJAARN Cc1noc2ncc(C(=O)N(C)Cc3cn(-c4ccccc4)nc3-c3ccccc3)cc12 ZINC000030929924 558744645 /nfs/dbraw/zinc/74/46/45/558744645.db2.gz HHZKXQQEODJWSB-UHFFFAOYSA-N 0 0 423.476 4.656 50 0 HJAARN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011072914 558747471 /nfs/dbraw/zinc/74/74/71/558747471.db2.gz DAVLWRDFILZUFS-MHECFPHRSA-N 0 0 415.537 4.628 50 0 HJAARN Cc1c(C(=O)N(C)[C@@H](C)c2cccc(-c3ccncc3)c2)nnn1-c1ccc(F)cc1 ZINC000072295521 558748763 /nfs/dbraw/zinc/74/87/63/558748763.db2.gz BOGCHJBVQMBXDK-INIZCTEOSA-N 0 0 415.472 4.610 50 0 HJAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)[C@H]1Cc3ccccc31)CC2 ZINC000072296560 558749569 /nfs/dbraw/zinc/74/95/69/558749569.db2.gz ZJKYVDDBQCZGTP-CVDCTZTESA-N 0 0 405.519 4.579 50 0 HJAARN C[C@H](OC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)Nc1cccnc1Cl ZINC000015805500 558754269 /nfs/dbraw/zinc/75/42/69/558754269.db2.gz YDWSRZVWDQKMAW-QMMMGPOBSA-N 0 0 413.257 4.926 50 0 HJAARN Cc1ccc(-c2nc(CNC(=O)COc3ccc(Br)cc3)cs2)cc1 ZINC000015832483 558755566 /nfs/dbraw/zinc/75/55/66/558755566.db2.gz UPBSMIRXNWMKMN-UHFFFAOYSA-N 0 0 417.328 4.576 50 0 HJAARN COc1ccc(-c2nc(CNC(=O)COc3cc(C)c(Cl)c(C)c3)cs2)cc1 ZINC000015832731 558755575 /nfs/dbraw/zinc/75/55/75/558755575.db2.gz XJYQIHGXLLECDS-UHFFFAOYSA-N 0 0 416.930 4.784 50 0 HJAARN CCOc1ccc(-c2nc(C(=O)N[C@H](C)c3nc(C4CCCC4)no3)cs2)cc1 ZINC000072303700 558756536 /nfs/dbraw/zinc/75/65/36/558756536.db2.gz SBZDOBNOANJQCV-CYBMUJFWSA-N 0 0 412.515 4.740 50 0 HJAARN O=C(NCCc1ccccc1)c1cccc(Nc2ccc(-c3ccc(F)cc3)nn2)c1 ZINC000032996971 558758070 /nfs/dbraw/zinc/75/80/70/558758070.db2.gz GRJSTFQBRKETID-UHFFFAOYSA-N 0 0 412.468 4.999 50 0 HJAARN CC(=O)N1c2ccccc2-c2nnc(SCC(C)C)nc2O[C@H]1c1ccc(C)o1 ZINC000032997381 558758682 /nfs/dbraw/zinc/75/86/82/558758682.db2.gz UZHYJUHHKSGTOT-FQEVSTJZSA-N 0 0 410.499 4.632 50 0 HJAARN CC(=O)N1c2ccccc2-c2nnc(SCC(C)C)nc2O[C@@H]1c1ccccc1F ZINC000032997416 558758711 /nfs/dbraw/zinc/75/87/11/558758711.db2.gz LBAMGGZUYIHQBG-OAQYLSRUSA-N 0 0 424.501 4.870 50 0 HJAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(C)cc1)N(C(C)=O)c1ccc(C)cc1-2 ZINC000032997497 558758831 /nfs/dbraw/zinc/75/88/31/558758831.db2.gz TYRKVHIKAXAAMM-NRFANRHFSA-N 0 0 406.511 4.712 50 0 HJAARN Cc1ccc(CN2C[C@@H](C(=O)Nc3ccccc3Oc3ccccc3)CC2=O)cc1 ZINC000015963611 558764413 /nfs/dbraw/zinc/76/44/13/558764413.db2.gz SEDPEKVMMLSRQJ-FQEVSTJZSA-N 0 0 400.478 4.775 50 0 HJAARN COc1ccccc1CNC(=O)Cn1c2ccccc2nc1SCc1ccccc1 ZINC000015978047 558765111 /nfs/dbraw/zinc/76/51/11/558765111.db2.gz URJRCLNBAQAWQC-UHFFFAOYSA-N 0 0 417.534 4.654 50 0 HJAARN CSCC[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(F)c2)o1 ZINC000016001016 558766034 /nfs/dbraw/zinc/76/60/34/558766034.db2.gz YLGJXMOBLCCNBQ-CQSZACIVSA-N 0 0 413.540 4.820 50 0 HJAARN CC(C)Oc1ccc(C(=O)N2CCN(c3nc4ccc(Cl)cc4s3)CC2)cc1 ZINC000004583442 558773183 /nfs/dbraw/zinc/77/31/83/558773183.db2.gz ODMKLZPKGYEULV-UHFFFAOYSA-N 0 0 415.946 4.699 50 0 HJAARN O=C(NCc1ccc(F)cc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000000865747 558774536 /nfs/dbraw/zinc/77/45/36/558774536.db2.gz KDVRMXOVKQZPNR-XJKSGUPXSA-N 0 0 424.423 4.674 50 0 HJAARN C[C@]12C(=O)N(c3ccc(Cl)cc3O)C(=O)[C@@H]1C1c3ccccc3C2c2ccccc21 ZINC000001181714 558775714 /nfs/dbraw/zinc/77/57/14/558775714.db2.gz KEBCAKROWZVVNT-BBLPBDBVSA-N 0 0 415.876 4.832 50 0 HJAARN C[C@@]12C(=O)N(c3ccc(Cl)cc3O)C(=O)[C@H]1C1c3ccccc3C2c2ccccc21 ZINC000001181715 558775767 /nfs/dbraw/zinc/77/57/67/558775767.db2.gz KEBCAKROWZVVNT-SGDKSWKTSA-N 0 0 415.876 4.832 50 0 HJAARN C[C@@]12C(=O)N(c3ccc(Cl)cc3O)C(=O)[C@@H]1C1c3ccccc3C2c2ccccc21 ZINC000001181713 558775795 /nfs/dbraw/zinc/77/57/95/558775795.db2.gz KEBCAKROWZVVNT-YQDNHFOKSA-N 0 0 415.876 4.832 50 0 HJAARN CSc1ccc(CN(C)[C@@H](c2nnnn2-c2ccccc2C)c2ccccc2)cc1 ZINC000022077892 558779054 /nfs/dbraw/zinc/77/90/54/558779054.db2.gz MYCSWGXBNIJVEN-HSZRJFAPSA-N 0 0 415.566 4.914 50 0 HJAARN Fc1cc(CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)c2c(c1)COCO2 ZINC000016253683 558781288 /nfs/dbraw/zinc/78/12/88/558781288.db2.gz KKHXHPHWEQHAJZ-UHFFFAOYSA-N 0 0 419.787 4.699 50 0 HJAARN COc1cccc2cc(-c3cc(=O)oc4ccc(OCC(=O)OC(C)C)cc43)oc21 ZINC000004586257 558782916 /nfs/dbraw/zinc/78/29/16/558782916.db2.gz KYMVOUJOYOVBCH-UHFFFAOYSA-N 0 0 408.406 4.545 50 0 biogenic HJAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000034870235 558786176 /nfs/dbraw/zinc/78/61/76/558786176.db2.gz NFZLACPEZBGIMZ-PIPMEXSNSA-N 0 0 412.530 4.626 50 0 HJAARN C[C@@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc21)C(=O)NCc1ccco1 ZINC000004588346 558787536 /nfs/dbraw/zinc/78/75/36/558787536.db2.gz DWAROKFVMDXGCM-CQSZACIVSA-N 0 0 407.470 4.826 50 0 HJAARN COc1cccc([C@@H](CC(=O)NCc2ccccc2)c2cnc3n2[C@H](C)CCC3)c1 ZINC000034919267 558787584 /nfs/dbraw/zinc/78/75/84/558787584.db2.gz 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ZINC000035616429 558794642 /nfs/dbraw/zinc/79/46/42/558794642.db2.gz CMPXOXHWSXNNCQ-UHFFFAOYSA-N 0 0 417.465 4.857 50 0 HJAARN COc1ccc(C(=O)N(Cc2cc(-c3cccc(OC)c3)on2)Cc2ccco2)cc1 ZINC000036011917 558796669 /nfs/dbraw/zinc/79/66/69/558796669.db2.gz KMLQXRRRIDSCER-UHFFFAOYSA-N 0 0 418.449 4.794 50 0 HJAARN COc1cccc(CN(c2cccc(Cl)c2)S(=O)(=O)c2cccc(F)c2)c1 ZINC000036248834 558798754 /nfs/dbraw/zinc/79/87/54/558798754.db2.gz GWDXJLOUOMARJI-UHFFFAOYSA-N 0 0 405.878 4.883 50 0 HJAARN COc1ccc(CN(c2cccc(F)c2)S(=O)(=O)c2ccccc2C)cc1OC ZINC000036248476 558798756 /nfs/dbraw/zinc/79/87/56/558798756.db2.gz NMSMVNWVCRLGMR-UHFFFAOYSA-N 0 0 415.486 4.547 50 0 HJAARN Cc1ccc(CCN2C(=O)c3ccccc3CC[C@]2(C)C(=O)NCCC(C)C)cc1 ZINC000032977841 558803466 /nfs/dbraw/zinc/80/34/66/558803466.db2.gz UZMQKDUSYPTFDR-AREMUKBSSA-N 0 0 406.570 4.547 50 0 HJAARN CCOc1ccc(N2C(=O)c3ccccc3CC[C@@]2(C)C(=O)NCCC(C)C)cc1 ZINC000032977902 558803493 /nfs/dbraw/zinc/80/34/93/558803493.db2.gz ZNBPMNRSEZFBBY-VWLOTQADSA-N 0 0 408.542 4.599 50 0 HJAARN C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1cccs1)c1ccc(-c2ccccc2)cc1 ZINC000032978412 558803502 /nfs/dbraw/zinc/80/35/02/558803502.db2.gz LXZGZRNLLNWZOX-LAUBAEHRSA-N 0 0 404.535 4.897 50 0 HJAARN O=C(COc1ccc(F)cc1)Oc1cc2sc(=O)oc2c(-c2ccc(F)cc2)c1 ZINC000016750761 558804568 /nfs/dbraw/zinc/80/45/68/558804568.db2.gz GGEFHCPRGSNPLZ-UHFFFAOYSA-N 0 0 414.385 4.784 50 0 HJAARN Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccccc2Cl)O3)o1 ZINC000032983877 558804932 /nfs/dbraw/zinc/80/49/32/558804932.db2.gz RLQSAAXNWVYCTI-RGVLZGJSSA-N 0 0 408.841 4.543 50 0 HJAARN O=C(NCCc1ccccc1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983854 558804946 /nfs/dbraw/zinc/80/49/46/558804946.db2.gz ZCZJNTUOSOHCPA-JCMHNJIXSA-N 0 0 418.880 4.685 50 0 HJAARN CC(=O)n1c(-c2ccc(Cl)cc2)nc2c1SC(c1cccs1)=NN2C(C)=O ZINC000016777710 558806550 /nfs/dbraw/zinc/80/65/50/558806550.db2.gz AYBZGGJQCUZINT-UHFFFAOYSA-N 0 0 416.915 4.746 50 0 HJAARN COc1cccc(CN2[C@@H](c3ccccc3Cl)Nc3ccccc3S2(=O)=O)c1 ZINC000032986835 558806755 /nfs/dbraw/zinc/80/67/55/558806755.db2.gz UEJCBECEBXNMTJ-NRFANRHFSA-N 0 0 414.914 4.664 50 0 HJAARN CCOP(=O)(OCC)c1nc(-c2ccc(Cl)cc2)oc1NCc1cccnc1 ZINC000016806374 558807494 /nfs/dbraw/zinc/80/74/94/558807494.db2.gz HFWHNRXJFKQMSO-UHFFFAOYSA-N 0 0 421.821 4.894 50 0 HJAARN CCc1ccc(-c2cc3c(SCC(=O)Nc4cccc(C)c4)nccn3n2)cc1 ZINC000016841610 558808244 /nfs/dbraw/zinc/80/82/44/558808244.db2.gz NWUADFTYODJKLH-UHFFFAOYSA-N 0 0 402.523 4.998 50 0 HJAARN CC(=O)c1ccc(NC(=O)CN2c3ccccc3S[C@H](c3ccco3)CC2=O)cc1 ZINC000016890695 558808949 /nfs/dbraw/zinc/80/89/49/558808949.db2.gz PJSBMJTTXUGVDH-NRFANRHFSA-N 0 0 420.490 4.691 50 0 HJAARN Cc1ccc(-n2cc(C3=CCN(CC(=O)Nc4ccc(C)c(Cl)c4)CC3)cn2)cc1 ZINC000032995891 558810367 /nfs/dbraw/zinc/81/03/67/558810367.db2.gz MDPKCETWZMGQBC-UHFFFAOYSA-N 0 0 420.944 4.870 50 0 HJAARN COc1cccc(NC(=O)CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)c1 ZINC000016960414 558810552 /nfs/dbraw/zinc/81/05/52/558810552.db2.gz KZJLQWMEZXXSTA-UHFFFAOYSA-N 0 0 424.913 4.789 50 0 HJAARN Cc1cccc(Oc2ccccc2NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 ZINC000032997802 558813226 /nfs/dbraw/zinc/81/32/26/558813226.db2.gz KCJJSBVYUIWWIC-UHFFFAOYSA-N 0 0 400.434 4.693 50 0 HJAARN Cc1ccc(-c2csc3c2ncn(CC(=O)Nc2cc(F)ccc2C)c3=O)cc1 ZINC000038651697 558813313 /nfs/dbraw/zinc/81/33/13/558813313.db2.gz MAOMKKCURHTWRU-UHFFFAOYSA-N 0 0 407.470 4.520 50 0 HJAARN CCCC(=O)Nc1nc2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2s1 ZINC000017082765 558814906 /nfs/dbraw/zinc/81/49/06/558814906.db2.gz ZCCTZJIIRAEQAB-UHFFFAOYSA-N 0 0 403.891 4.949 50 0 HJAARN CCCC(=O)Nc1nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc2s1 ZINC000017082764 558814913 /nfs/dbraw/zinc/81/49/13/558814913.db2.gz PJYQZTHSCWYACP-UHFFFAOYSA-N 0 0 403.891 4.706 50 0 HJAARN O=C(C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc21)c1ccco1 ZINC000017086727 558816219 /nfs/dbraw/zinc/81/62/19/558816219.db2.gz AAZKBDHXFFFZNH-OAQYLSRUSA-N 0 0 416.260 4.594 50 0 HJAARN CCOc1ccc(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000017088255 558817022 /nfs/dbraw/zinc/81/70/22/558817022.db2.gz ZGIONYNBBHMUPP-UHFFFAOYSA-N 0 0 409.477 4.623 50 0 HJAARN COc1ccc(C)cc1NC(=S)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000017088256 558817061 /nfs/dbraw/zinc/81/70/61/558817061.db2.gz QRMWAMFOSOSRNS-UHFFFAOYSA-N 0 0 409.477 4.541 50 0 HJAARN Cc1cccc(-c2nc(CSc3nnc(-c4ccc5c(c4)OCO5)n3C)cs2)c1 ZINC000017093194 558821531 /nfs/dbraw/zinc/82/15/31/558821531.db2.gz OJJPKIWXJCVXDC-UHFFFAOYSA-N 0 0 422.535 4.935 50 0 HJAARN CCn1c(COc2ccc(C)c(C)c2)nnc1SCC(=O)Nc1cc(C)ccc1C ZINC000017094078 558822513 /nfs/dbraw/zinc/82/25/13/558822513.db2.gz AUFOKLNXQLHZSD-UHFFFAOYSA-N 0 0 424.570 4.841 50 0 HJAARN O=C(NCc1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000017094053 558822518 /nfs/dbraw/zinc/82/25/18/558822518.db2.gz GURVXEIOYUGWNL-POTDNYQPSA-N 0 0 424.544 4.526 50 0 HJAARN Cc1nc2ccccc2n(Cc2ccc(C(=O)NC3CCCCCCC3)cc2)c1=O ZINC000033005773 558827575 /nfs/dbraw/zinc/82/75/75/558827575.db2.gz JQLIIUQMCXQDAW-UHFFFAOYSA-N 0 0 403.526 4.596 50 0 HJAARN CCC(=O)Nc1nc2c(cc(NC(=O)Nc3ccc(OC)cc3OC)cc2C)s1 ZINC000033008317 558829014 /nfs/dbraw/zinc/82/90/14/558829014.db2.gz AHUWWKFSBRSXIR-UHFFFAOYSA-N 0 0 414.487 4.614 50 0 HJAARN CC(C)(C)c1ccc(OC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1 ZINC000017987452 558829264 /nfs/dbraw/zinc/82/92/64/558829264.db2.gz UZIIVAVUVWZCIQ-SFTDATJTSA-N 0 0 403.478 4.659 50 0 HJAARN COc1ccc2oc(/C=C/N(C)C)c(C(=O)c3ccc(Br)cc3)c2c1 ZINC000018045426 558830090 /nfs/dbraw/zinc/83/00/90/558830090.db2.gz JORZSTWCBKIXNK-ZHACJKMWSA-N 0 0 400.272 4.967 50 0 HJAARN Cc1ccc(NC(=O)C2=C(c3ccccc3)NC(=S)N[C@@H]2c2ccc(C)cc2)cc1 ZINC000018093895 558831087 /nfs/dbraw/zinc/83/10/87/558831087.db2.gz XFKPMLMJZTXYPT-HSZRJFAPSA-N 0 0 413.546 4.872 50 0 HJAARN COc1ccc(Nc2nnc(-c3ccc(Cl)cc3)c3ccccc23)cc1C(N)=O ZINC000018142889 558832017 /nfs/dbraw/zinc/83/20/17/558832017.db2.gz WMPSNHVBQCGDQN-UHFFFAOYSA-N 0 0 404.857 4.801 50 0 HJAARN COc1ccc(NC(=O)c2ccccc2OCc2nc(-c3ccc(C)cc3)no2)cc1 ZINC000033012889 558832849 /nfs/dbraw/zinc/83/28/49/558832849.db2.gz RVHAKTXKFAEYBW-UHFFFAOYSA-N 0 0 415.449 4.885 50 0 HJAARN C[C@@H](CNC(=O)COc1cccc2ccccc21)c1nc2ccccc2n1C(F)F ZINC000010637003 558833190 /nfs/dbraw/zinc/83/31/90/558833190.db2.gz MKRQOXHZHBKWCF-HNNXBMFYSA-N 0 0 409.436 4.883 50 0 HJAARN CCOC(=O)CSc1nc2c3ccccc3sc2c(=O)n1-c1ccc(C)cc1 ZINC000004598509 558834742 /nfs/dbraw/zinc/83/47/42/558834742.db2.gz CSSOFUPGKXNLDS-UHFFFAOYSA-N 0 0 410.520 4.564 50 0 HJAARN O=C(CCCC1=NS(=O)(=O)c2ccccc2N1)Nc1ccc(-c2ccccc2)cc1 ZINC000004598476 558834773 /nfs/dbraw/zinc/83/47/73/558834773.db2.gz PVRBUFRQFJSHSF-UHFFFAOYSA-N 0 0 419.506 4.675 50 0 HJAARN NC(=O)c1cc(Cl)ccc1OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 ZINC000011114176 558836371 /nfs/dbraw/zinc/83/63/71/558836371.db2.gz CKAPIVOTNLCRPR-JOCHJYFZSA-N 0 0 413.832 4.765 50 0 HJAARN Cc1ccc(NC(=O)Cc2c(C)nc3nc(-c4ccc(Cl)cc4)nn3c2C)cc1C ZINC000046023789 558839207 /nfs/dbraw/zinc/83/92/07/558839207.db2.gz QBRBTHATUUMSDY-UHFFFAOYSA-N 0 0 419.916 4.860 50 0 HJAARN O=C(Nc1ccccc1F)Nc1ccccc1SCc1cc(=O)n2ccccc2n1 ZINC000033026638 558847696 /nfs/dbraw/zinc/84/76/96/558847696.db2.gz AWLFQOWYDMZQET-UHFFFAOYSA-N 0 0 420.469 4.770 50 0 HJAARN O=C(C=Cc1ccc(N2CCCC2=O)cc1)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000060331847 558848218 /nfs/dbraw/zinc/84/82/18/558848218.db2.gz FDJXIZJNRAHNKG-MDWZMJQESA-N 0 0 400.482 4.609 50 0 HJAARN CC(C)(Oc1ccc(Cl)cc1)c1nn2c(CN3CCCCCC3)nnc2s1 ZINC000049546745 558850012 /nfs/dbraw/zinc/85/00/12/558850012.db2.gz SGMXKDUUJGJJSH-UHFFFAOYSA-N 0 0 405.955 4.529 50 0 HJAARN COC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccccc1C(F)(F)F ZINC000013686246 558854819 /nfs/dbraw/zinc/85/48/19/558854819.db2.gz LNQQIKJLUNIPGB-KRWDZBQOSA-N 0 0 406.429 4.588 50 0 HJAARN O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)c1c(F)cccc1Cl ZINC000013694931 558856326 /nfs/dbraw/zinc/85/63/26/558856326.db2.gz ORUMBIQCASSOAG-UHFFFAOYSA-N 0 0 400.862 4.996 50 0 HJAARN O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2 ZINC000013694895 558856339 /nfs/dbraw/zinc/85/63/39/558856339.db2.gz CDAOJCKOXXUQAM-UHFFFAOYSA-N 0 0 412.898 4.622 50 0 HJAARN COc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)NC4CCCCC4)c3)C2)cc1 ZINC000033034750 558858860 /nfs/dbraw/zinc/85/88/60/558858860.db2.gz MXKNSONGGJEUTQ-JOCHJYFZSA-N 0 0 420.553 4.778 50 0 HJAARN CC(=O)Nc1ccc(S(=O)(=O)N(c2ccc3[nH]ccc3c2)[C@@H](C)CC(C)C)cc1 ZINC000060348722 558859432 /nfs/dbraw/zinc/85/94/32/558859432.db2.gz GUTCZSPPCNKTKU-INIZCTEOSA-N 0 0 413.543 4.756 50 0 HJAARN O=C(Nc1ccccc1Sc1nc(Cl)nn1Cc1ccc(F)cc1)C1CC1 ZINC000033036118 558860159 /nfs/dbraw/zinc/86/01/59/558860159.db2.gz DNUOJEANRYBMLO-UHFFFAOYSA-N 0 0 402.882 4.619 50 0 HJAARN CC[C@H](C)NC(=O)c1ccc(-n2nc(C)c(-c3ccc(Cl)cc3)c2NC(C)=O)cc1 ZINC000033037246 558861507 /nfs/dbraw/zinc/86/15/07/558861507.db2.gz ZENHMWMPZVVENG-AWEZNQCLSA-N 0 0 424.932 4.988 50 0 HJAARN Cc1ccc(CSc2nc3cc(C(=O)NC(C)C)ccc3c(=O)n2CC(C)C)cc1 ZINC000033076969 558867618 /nfs/dbraw/zinc/86/76/18/558867618.db2.gz HNAFOTDMRMSXMO-UHFFFAOYSA-N 0 0 423.582 4.791 50 0 HJAARN CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)Nc3cccc(Cl)c3)C2)s1 ZINC000033078247 558867679 /nfs/dbraw/zinc/86/76/79/558867679.db2.gz ZZFIHHUNIQVKRT-CYBMUJFWSA-N 0 0 400.935 4.762 50 0 HJAARN Cc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)sc2ncnc(N3CCCC3)c12 ZINC000033078839 558868159 /nfs/dbraw/zinc/86/81/59/558868159.db2.gz DFIYAVQIPSGIBI-UHFFFAOYSA-N 0 0 422.432 4.751 50 0 HJAARN Cc1c(C(=O)NCc2ccc(F)cc2)sc2ncnc(N(C)C3CCCCC3)c12 ZINC000033078876 558868353 /nfs/dbraw/zinc/86/83/53/558868353.db2.gz YLCYUDKJCYBPFS-UHFFFAOYSA-N 0 0 412.534 4.838 50 0 HJAARN Cc1nn2c(ncc(C(=O)NCc3ccccc3)c2C(F)(F)F)c1-c1ccccc1 ZINC000033039937 558868996 /nfs/dbraw/zinc/86/89/96/558868996.db2.gz WCRJPQXCNSFMIQ-UHFFFAOYSA-N 0 0 410.399 4.654 50 0 HJAARN Cc1oc(-c2ccc(C)cc2)nc1CN1CCN(C(=O)Nc2cc(C)ccc2C)CC1 ZINC000033085159 558869137 /nfs/dbraw/zinc/86/91/37/558869137.db2.gz YYGGIMWSHJUFAF-UHFFFAOYSA-N 0 0 418.541 4.925 50 0 HJAARN CC(C)c1ccc(NC(=O)c2ccc3c(c2)-c2ccccc2S(=O)(=O)N3C)cc1 ZINC000033088643 558871613 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Cc1ccc(-n2cc(CN(C)[C@@H](C)c3ccncn3)c(-c3ccc(F)cc3)n2)cc1 ZINC000055358538 558879980 /nfs/dbraw/zinc/87/99/80/558879980.db2.gz ZUNNFIIFFBAUJM-SFHVURJKSA-N 0 0 401.489 4.970 50 0 HJAARN COc1ccc(CN(C)[C@@H](c2nnnn2-c2ccccc2C)c2ccccc2)cc1C ZINC000055447647 558881461 /nfs/dbraw/zinc/88/14/61/558881461.db2.gz NOIOTXMHRFONQN-XMMPIXPASA-N 0 0 413.525 4.509 50 0 HJAARN Cc1ccc(NC(=O)[C@H](C)Sc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)cc1C ZINC000033128101 558881775 /nfs/dbraw/zinc/88/17/75/558881775.db2.gz AIKGPUAMXBWWIB-SFHVURJKSA-N 0 0 407.539 4.585 50 0 HJAARN Cc1ccc(C)c(NC(=O)CSc2ccc(=O)n(-c3ccc(C(C)C)cc3)n2)c1 ZINC000033128431 558882267 /nfs/dbraw/zinc/88/22/67/558882267.db2.gz MTKVDMHTVIRFIM-UHFFFAOYSA-N 0 0 407.539 4.704 50 0 HJAARN CC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2[n-]c(-c3cccc(C)c3)cc2n1 ZINC000033126251 558883748 /nfs/dbraw/zinc/88/37/48/558883748.db2.gz VWSJFKSUZBGVDJ-UHFFFAOYSA-N 0 0 406.917 4.674 50 0 HJAARN CC(C)c1ccc(NC(=O)c2cc3c(n(-c4ccc(F)cc4)c2=O)CCCC3=O)cc1 ZINC000033126680 558884225 /nfs/dbraw/zinc/88/42/25/558884225.db2.gz KFCGXCCKGTXHKY-UHFFFAOYSA-N 0 0 418.468 4.871 50 0 HJAARN C[C@H]1CCCC[C@H]1NC(=O)CNC(=S)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000004672531 558884557 /nfs/dbraw/zinc/88/45/57/558884557.db2.gz KDEDZFKMPLGYIV-LAUBAEHRSA-N 0 0 419.610 4.530 50 0 HJAARN C[C@@H]1CCC[C@H](NC(=O)CCC(=O)Nc2ccc(OCCc3ccccc3)cc2)[C@@H]1C ZINC000004672829 558884749 /nfs/dbraw/zinc/88/47/49/558884749.db2.gz FJGYJYVPOMIGPN-REHUZNOOSA-N 0 0 422.569 4.968 50 0 HJAARN C[C@@H]1CCCC[C@H]1NC(=O)CNC(=S)N(Cc1ccccc1F)C1CCCCC1 ZINC000004672630 558884773 /nfs/dbraw/zinc/88/47/73/558884773.db2.gz WZQXILRUTWHPPN-DYESRHJHSA-N 0 0 419.610 4.530 50 0 HJAARN COc1cc(OC)cc(C(=O)NCSc2nc(-c3ccc(C)cc3)cs2)c1 ZINC000057531537 558889255 /nfs/dbraw/zinc/88/92/55/558889255.db2.gz JIMDJCUAVUBVLX-UHFFFAOYSA-N 0 0 400.525 4.615 50 0 HJAARN COc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1OC ZINC000004677601 558889822 /nfs/dbraw/zinc/88/98/22/558889822.db2.gz BDXVVQLNWCSCFS-UHFFFAOYSA-N 0 0 401.509 4.656 50 0 HJAARN CCOc1ccc([C@H]2CC(c3c(C)cc(C)[nH]c3=O)=NN2c2ccccc2F)cc1 ZINC000004626025 558890303 /nfs/dbraw/zinc/89/03/03/558890303.db2.gz NDJYLCZZDJHMCF-JOCHJYFZSA-N 0 0 405.473 4.885 50 0 HJAARN COc1cc(CNC(=O)c2cc(-c3ccc(C)c(C)c3)[nH]c2C)cc(OC)c1OC ZINC000033139664 558891323 /nfs/dbraw/zinc/89/13/23/558891323.db2.gz STMSKSPNNVOKHC-UHFFFAOYSA-N 0 0 408.498 4.563 50 0 HJAARN CCCOc1ccccc1NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C ZINC000011221260 558891326 /nfs/dbraw/zinc/89/13/26/558891326.db2.gz COKHJLGKCBMRLJ-UHFFFAOYSA-N 0 0 402.498 4.859 50 0 HJAARN Cc1nccc(-c2cccc(NCC(=O)N3CC[C@H](C)Sc4ccccc43)c2)n1 ZINC000057958650 558892000 /nfs/dbraw/zinc/89/20/00/558892000.db2.gz HWUAVCKVGHPPKG-INIZCTEOSA-N 0 0 404.539 4.781 50 0 HJAARN COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)Nc1ccccc1Oc1ccc(C)cc1 ZINC000057988451 558892629 /nfs/dbraw/zinc/89/26/29/558892629.db2.gz IVCCCSHTXHJAOS-UHFFFAOYSA-N 0 0 420.465 4.594 50 0 HJAARN Brc1ccc(OCc2nc(-c3ccc(Br)cc3)no2)cc1 ZINC000004685160 558895289 /nfs/dbraw/zinc/89/52/89/558895289.db2.gz VHALANNNELAXGX-UHFFFAOYSA-N 0 0 410.065 4.841 50 0 HJAARN O=C1[C@H](Oc2ccc(Cl)cc2)[C@H](c2cccs2)N1Cc1ccc2c(c1)OCO2 ZINC000004686754 558895602 /nfs/dbraw/zinc/89/56/02/558895602.db2.gz NSQOITFIJWAZQN-VQTJNVASSA-N 0 0 413.882 4.661 50 0 HJAARN Cc1cccc(Sc2nccnc2N2CCC[C@H](C(=O)Nc3cccc(F)c3)C2)c1 ZINC000033168885 558898635 /nfs/dbraw/zinc/89/86/35/558898635.db2.gz WPCSPLTYXFCYIV-KRWDZBQOSA-N 0 0 422.529 4.930 50 0 HJAARN COc1ccc(CSc2nccc3c2ccn3CC(=O)NCc2ccc(C)o2)cc1 ZINC000033172288 558900912 /nfs/dbraw/zinc/90/09/12/558900912.db2.gz LPBWNGHQJPDWFU-UHFFFAOYSA-N 0 0 421.522 4.555 50 0 HJAARN O=c1ccccn1CCSc1nnc(Nc2ccc(SC(F)F)cc2)s1 ZINC000058141072 558901478 /nfs/dbraw/zinc/90/14/78/558901478.db2.gz NMQJNBGZYMBHSW-UHFFFAOYSA-N 0 0 412.512 4.550 50 0 HJAARN Cc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N(C)C1CCCCC1 ZINC000033173407 558901630 /nfs/dbraw/zinc/90/16/30/558901630.db2.gz JEYZSPPRDQSWDW-UHFFFAOYSA-N 0 0 402.438 4.622 50 0 HJAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](c1ccccc1)N1CCC(=O)CC1 ZINC000058146093 558902041 /nfs/dbraw/zinc/90/20/41/558902041.db2.gz TZFHUSUPZICINQ-GOSISDBHSA-N 0 0 410.823 4.704 50 0 HJAARN Cc1cccc2nc(CSc3nnc(N4CCCC4)n3-c3cccc(Cl)c3)cn21 ZINC000058155945 558902866 /nfs/dbraw/zinc/90/28/66/558902866.db2.gz MOFSMEXNZBOITJ-UHFFFAOYSA-N 0 0 424.961 4.769 50 0 HJAARN COc1ccc([C@@H](NCC(=O)N[C@@H](C)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000058158045 558903586 /nfs/dbraw/zinc/90/35/86/558903586.db2.gz DYZQQHXIDHBYBB-XDHUDOTRSA-N 0 0 408.929 4.905 50 0 HJAARN CCOc1ccc(-c2nc(C[S@](=O)Cc3ccccc3F)cs2)cc1OC ZINC000058158021 558903677 /nfs/dbraw/zinc/90/36/77/558903677.db2.gz MKJSFGWMUBDYQV-MHZLTWQESA-N 0 0 405.516 4.805 50 0 HJAARN Cc1nc2ccccc2c(C)c1CC(=O)NC[C@H](c1c(F)cccc1Cl)N(C)C ZINC000058158677 558904042 /nfs/dbraw/zinc/90/40/42/558904042.db2.gz IOGLSPRBHIQGNA-OAQYLSRUSA-N 0 0 413.924 4.606 50 0 HJAARN CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccccc1Cl ZINC000004691256 558905228 /nfs/dbraw/zinc/90/52/28/558905228.db2.gz YJODESUIRBPNBB-CQSZACIVSA-N 0 0 400.935 4.588 50 0 HJAARN CCc1ccccc1NC(=O)CSc1nnc(COc2ccccc2Cl)o1 ZINC000004700009 558907671 /nfs/dbraw/zinc/90/76/71/558907671.db2.gz FXVRXYZASCBUFB-UHFFFAOYSA-N 0 0 403.891 4.595 50 0 HJAARN Cc1ccc(NC(=O)CSc2nnc(Cc3cccc4ccccc43)n2C)cc1C ZINC000004700379 558908131 /nfs/dbraw/zinc/90/81/31/558908131.db2.gz YGVNKKVGAYWVMT-UHFFFAOYSA-N 0 0 416.550 4.907 50 0 HJAARN CC(=O)NC1CCN(Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)CC1 ZINC000071763422 558910357 /nfs/dbraw/zinc/91/03/57/558910357.db2.gz VOBOHKTZOAUTPB-UHFFFAOYSA-N 0 0 405.498 4.543 50 0 HJAARN C[C@H](CNC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1)N(C)c1ccccc1 ZINC000058245939 558914750 /nfs/dbraw/zinc/91/47/50/558914750.db2.gz PGGLTHGAIRLEAX-LJQANCHMSA-N 0 0 416.525 4.610 50 0 HJAARN Cc1ccc(-n2ncc(C(=O)Nc3ccccc3Br)c2-n2cccc2)cc1 ZINC000033249801 558915697 /nfs/dbraw/zinc/91/56/97/558915697.db2.gz YFOBIHICXPZAPB-UHFFFAOYSA-N 0 0 421.298 4.986 50 0 HJAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2Cl)n2ncnc2N1 ZINC000004716118 558915713 /nfs/dbraw/zinc/91/57/13/558915713.db2.gz FCZVUAXIZWHITI-QGZVFWFLSA-N 0 0 400.269 4.513 50 0 HJAARN CCCCN(CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1c(F)cccc1F ZINC000004711847 558917579 /nfs/dbraw/zinc/91/75/79/558917579.db2.gz NRWGFJAEHLYGCP-JOCHJYFZSA-N 0 0 422.516 4.980 50 0 HJAARN Cc1cc(Br)ccc1SCC(=O)NCCc1csc(C(C)C)n1 ZINC000058310563 558918879 /nfs/dbraw/zinc/91/88/79/558918879.db2.gz PTIRZUGMOXOHQX-UHFFFAOYSA-N 0 0 413.406 4.788 50 0 HJAARN Cc1cc2nc(C(F)(F)F)c(=O)n([C@H](C)C(=O)Nc3c(C)cccc3C)c2cc1C ZINC000033251139 558919764 /nfs/dbraw/zinc/91/97/64/558919764.db2.gz JYFSNVWUULVILA-OAHLLOKOSA-N 0 0 417.431 4.849 50 0 HJAARN CC(C)(C)[C@@H]1CCc2c(sc3nc(CCC(=O)NC4CCCCC4)[nH]c(=O)c23)C1 ZINC000033252261 558920639 /nfs/dbraw/zinc/92/06/39/558920639.db2.gz KMYCHLNRSQHPAF-CQSZACIVSA-N 0 0 415.603 4.517 50 0 HJAARN Cc1ccc(NC(=O)N[C@@H](C(=O)N(C)C)c2ccccc2)c(OCc2ccccc2)c1 ZINC000058343229 558920744 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CCCCOc1ccc(C(=O)N(Cc2nc(-c3ccc(OC)cc3)no2)C(C)C)cc1 ZINC000004782943 559062023 /nfs/dbraw/zinc/06/20/23/559062023.db2.gz HDAAXNNSKZJKHS-UHFFFAOYSA-N 0 0 423.513 4.975 50 0 HJAARN Cc1cc(Br)cc2c1N(CCOc1ccc(C(C)(C)C)cc1)C(=O)C2=O ZINC000004784145 559062913 /nfs/dbraw/zinc/06/29/13/559062913.db2.gz LTFCUHWEFTZYEL-UHFFFAOYSA-N 0 0 416.315 4.663 50 0 HJAARN CC(C)CCNC(=O)[C@]1(C)Cn2c(cc3ccccc32)C(=O)N1CCC1=CCCCC1 ZINC000033332134 559063008 /nfs/dbraw/zinc/06/30/08/559063008.db2.gz SEWIZQRQRVEWFY-SANMLTNESA-N 0 0 421.585 4.909 50 0 HJAARN Cc1cccn2c1nc(-c1ccc(N(C)C)cc1)c2Nc1ccc2c(c1)OCCO2 ZINC000004794020 559066106 /nfs/dbraw/zinc/06/61/06/559066106.db2.gz MUCXQSUAOMLMNV-UHFFFAOYSA-N 0 0 400.482 4.891 50 0 HJAARN COc1cc(C(=O)O[C@H](C)C(=O)c2c(C)[nH]c3ccccc32)cc(Cl)c1OC ZINC000004799774 559066640 /nfs/dbraw/zinc/06/66/40/559066640.db2.gz MSIZCADYCRWORV-GFCCVEGCSA-N 0 0 401.846 4.575 50 0 HJAARN CC(C)(C)OC(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000095081650 559079338 /nfs/dbraw/zinc/07/93/38/559079338.db2.gz XNGGGCFQSLQNIG-UHFFFAOYSA-N 0 0 409.246 4.525 50 0 HJAARN O=C1C[C@@H](n2c3ccccc3nc2-c2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000095483176 559081333 /nfs/dbraw/zinc/08/13/33/559081333.db2.gz XMYBFZJZDSHKBR-HXUWFJFHSA-N 0 0 401.853 4.861 50 0 HJAARN Cc1c2ccccc2oc1-c1nnc2sc(-c3ccc(Br)o3)nn21 ZINC000096194398 559101240 /nfs/dbraw/zinc/10/12/40/559101240.db2.gz NYAJYODDJURDPS-UHFFFAOYSA-N 0 0 401.245 4.930 50 0 HJAARN O=C(Nc1cccc(OC(F)(F)F)c1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000044017715 559101677 /nfs/dbraw/zinc/10/16/77/559101677.db2.gz ALXGBUWUIVXDFR-UHFFFAOYSA-N 0 0 404.392 4.873 50 0 HJAARN Cc1noc(-c2ccc(OC(F)(F)F)cc2)c1C(=O)NCCCc1ccccc1 ZINC000023307712 559110157 /nfs/dbraw/zinc/11/01/57/559110157.db2.gz JNQVQWNPQAUIRP-UHFFFAOYSA-N 0 0 404.388 4.911 50 0 HJAARN CCCCC(=O)N1c2ncnn2[C@@H](c2ccc(C)cc2)C[C@@H]1c1ccc(OC)cc1 ZINC000004816570 559112766 /nfs/dbraw/zinc/11/27/66/559112766.db2.gz GVNVCLGEGSTYSS-FGZHOGPDSA-N 0 0 404.514 4.853 50 0 HJAARN O=C(Nc1cccc(-c2ccc3nnc(-c4cccs4)n3n2)c1)c1ccccc1F ZINC000011613709 559114095 /nfs/dbraw/zinc/11/40/95/559114095.db2.gz BCOKTWUQHKSWSL-UHFFFAOYSA-N 0 0 415.453 4.911 50 0 HJAARN COc1ccccc1[C@@H]1C[C@@H](c2ccc(C)cc2)N(C(=O)CC(C)C)c2ncnn21 ZINC000004816947 559114999 /nfs/dbraw/zinc/11/49/99/559114999.db2.gz LOGXBOWJCANTQK-SFTDATJTSA-N 0 0 404.514 4.709 50 0 HJAARN O=C(NCc1ccccc1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023313946 559115655 /nfs/dbraw/zinc/11/56/55/559115655.db2.gz GJQFKMCUZYDDCW-DEOSSOPVSA-N 0 0 419.956 4.957 50 0 HJAARN Cc1noc(-c2ccc(OC(F)(F)F)cc2)c1C(=O)NCCc1ccc(F)cc1 ZINC000023314592 559116984 /nfs/dbraw/zinc/11/69/84/559116984.db2.gz VQRCYORYOLWRGI-UHFFFAOYSA-N 0 0 408.351 4.660 50 0 HJAARN O=C(c1ccc(F)cc1F)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000072303787 559124451 /nfs/dbraw/zinc/12/44/51/559124451.db2.gz RFGJDGSAZYMJSK-MRXNPFEDSA-N 0 0 413.205 4.547 50 0 HJAARN CCN1c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C(=O)N2CCCC[C@H]12 ZINC000097944092 559124639 /nfs/dbraw/zinc/12/46/39/559124639.db2.gz NBDUCGYFFAKBGL-LJQANCHMSA-N 0 0 417.431 4.750 50 0 HJAARN Cc1cccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1C ZINC000098072912 559126427 /nfs/dbraw/zinc/12/64/27/559126427.db2.gz JLTPBOXDMBOBQT-UHFFFAOYSA-N 0 0 408.239 4.886 50 0 HJAARN Cc1ccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1C ZINC000098072933 559126436 /nfs/dbraw/zinc/12/64/36/559126436.db2.gz XGMOOHDTSIQLCU-UHFFFAOYSA-N 0 0 408.239 4.886 50 0 HJAARN Cc1cccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1F ZINC000098072952 559126633 /nfs/dbraw/zinc/12/66/33/559126633.db2.gz TTXXTRWYLAWHNG-UHFFFAOYSA-N 0 0 412.202 4.716 50 0 HJAARN CCN(C(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1)c1cccc(C)c1 ZINC000098211324 559127205 /nfs/dbraw/zinc/12/72/05/559127205.db2.gz WUDBRHARBJITNU-UHFFFAOYSA-N 0 0 404.445 4.706 50 0 HJAARN CCc1ccc(C(=O)NC2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)cc1 ZINC000098212659 559127886 /nfs/dbraw/zinc/12/78/86/559127886.db2.gz SEDJCWMMVNZIHK-UHFFFAOYSA-N 0 0 408.933 4.691 50 0 HJAARN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000100723551 559138454 /nfs/dbraw/zinc/13/84/54/559138454.db2.gz KCHGDRJDKWKBQG-SLFFLAALSA-N 0 0 424.909 4.761 50 0 HJAARN COc1cccc(C(=O)Nc2c(=O)oc3ccccc3c2NCc2ccccc2)c1 ZINC000101094529 559143314 /nfs/dbraw/zinc/14/33/14/559143314.db2.gz CQIJELOQAQOUIC-UHFFFAOYSA-N 0 0 400.434 4.666 50 0 HJAARN O=C(Nc1ccc(-c2ccc3nnc(-c4cccs4)n3n2)cc1)c1cccc(F)c1 ZINC000011665519 559143711 /nfs/dbraw/zinc/14/37/11/559143711.db2.gz ZLSYSKJSYKMOLP-UHFFFAOYSA-N 0 0 415.453 4.911 50 0 HJAARN Cc1ccc(-c2noc(CSc3nnc(Cc4cccs4)n3C3CC3)n2)cc1 ZINC000014086472 559149542 /nfs/dbraw/zinc/14/95/42/559149542.db2.gz FHVXZURYAPPDPT-UHFFFAOYSA-N 0 0 409.540 4.916 50 0 HJAARN Cc1ccc(-c2nnc(S[C@@H](C(=O)N3CCCCC3)c3ccccc3)n2C)cc1 ZINC000014077615 559149551 /nfs/dbraw/zinc/14/95/51/559149551.db2.gz TWUSLAQQJTWPBU-HXUWFJFHSA-N 0 0 406.555 4.636 50 0 HJAARN O=C(COc1ccccc1C(=O)NC1CCCCC1)Nc1cccc(C(F)(F)F)c1 ZINC000014095494 559150682 /nfs/dbraw/zinc/15/06/82/559150682.db2.gz YMEXWFJKRONAGL-UHFFFAOYSA-N 0 0 420.431 4.785 50 0 HJAARN CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000014095596 559150719 /nfs/dbraw/zinc/15/07/19/559150719.db2.gz SUIDGJRXGWXMFB-QFIPXVFZSA-N 0 0 420.534 4.969 50 0 HJAARN C[C@@H]1CN(Cc2csc(NC(=O)C(c3ccccc3)c3ccccc3)n2)C[C@@H](C)O1 ZINC000014121677 559152087 /nfs/dbraw/zinc/15/20/87/559152087.db2.gz VUUVJLSLMQWFSD-QZTJIDSGSA-N 0 0 421.566 4.523 50 0 HJAARN CC(=O)Nc1s/c(=N/c2ccccc2)n(C[C@H]2CCCO2)c1-c1ccc(C)cc1 ZINC000102856682 559153310 /nfs/dbraw/zinc/15/33/10/559153310.db2.gz FQNHWKWDRRPJAR-XMVGPFMNSA-N 0 0 407.539 4.895 50 0 HJAARN COc1cccc(NC(=O)[C@H](Sc2nnc(-c3ccco3)o2)c2ccccc2)c1 ZINC000004828215 559155439 /nfs/dbraw/zinc/15/54/39/559155439.db2.gz DANFJHICZDSWJH-GOSISDBHSA-N 0 0 407.451 4.810 50 0 HJAARN CCCCOC(=O)c1ccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)cc1 ZINC000014232877 559161138 /nfs/dbraw/zinc/16/11/38/559161138.db2.gz LTGLKYFUVRAZDK-QFIPXVFZSA-N 0 0 406.482 4.546 50 0 HJAARN CC(C)(C)[C@@H]1CCc2c(sc3ncc(NC(=O)c4ccc(Cl)cc4)c(=O)n32)C1 ZINC000014291527 559163493 /nfs/dbraw/zinc/16/34/93/559163493.db2.gz ANMMJPOTDWKFJY-CYBMUJFWSA-N 0 0 415.946 4.813 50 0 HJAARN CC[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000004835714 559165793 /nfs/dbraw/zinc/16/57/93/559165793.db2.gz QUYJHTSIMUXNJU-IBGZPJMESA-N 0 0 406.555 4.818 50 0 HJAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(F)cc1Cl)n2CCOC ZINC000023329347 559167262 /nfs/dbraw/zinc/16/72/62/559167262.db2.gz WPDNGHVGAIQLES-UHFFFAOYSA-N 0 0 422.909 4.944 50 0 HJAARN COc1ccccc1/C=C\C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000033417627 559167694 /nfs/dbraw/zinc/16/76/94/559167694.db2.gz JKLFYHRRSWKLMW-MSUUIHNZSA-N 0 0 412.533 4.642 50 0 HJAARN O=C(NCc1c(F)cccc1Cl)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000023332165 559170593 /nfs/dbraw/zinc/17/05/93/559170593.db2.gz JIPFUBSSNJKCBZ-UHFFFAOYSA-N 0 0 403.862 4.909 50 0 HJAARN O=C(Cc1ccc(Cl)cc1)n1nc(-c2ccco2)nc1NCc1ccc(F)cc1 ZINC000014610692 559170939 /nfs/dbraw/zinc/17/09/39/559170939.db2.gz CVOSGXQAQSTYEL-UHFFFAOYSA-N 0 0 410.836 4.826 50 0 HJAARN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)O[C@@H](C)C(=O)NC(C)(C)C)cc12 ZINC000014672306 559171894 /nfs/dbraw/zinc/17/18/94/559171894.db2.gz QQLODAMCHYCQNT-LBPRGKRZSA-N 0 0 419.934 4.509 50 0 HJAARN CCc1ccc(N(C(C)=O)c2nc(COC(=O)c3cc(C)ccc3O)cs2)cc1 ZINC000014670944 559172022 /nfs/dbraw/zinc/17/20/22/559172022.db2.gz MIRGVWJDMRDDLT-UHFFFAOYSA-N 0 0 410.495 4.761 50 0 HJAARN CCCCNC(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccc(CC)cc2)cc1 ZINC000023334231 559172257 /nfs/dbraw/zinc/17/22/57/559172257.db2.gz UXLMMGQHLLVSET-UHFFFAOYSA-N 0 0 419.525 4.808 50 0 HJAARN CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(C(=O)N3CCCC3)cc2)n1 ZINC000023336729 559172563 /nfs/dbraw/zinc/17/25/63/559172563.db2.gz VAFGGJQDFVHRSM-UHFFFAOYSA-N 0 0 423.900 4.605 50 0 HJAARN COc1ccc(-c2onc3c2CCC3)cc1NC(=O)c1cccc(OC(F)(F)F)c1 ZINC000023334400 559172591 /nfs/dbraw/zinc/17/25/91/559172591.db2.gz DUGGZTJLEAICSY-UHFFFAOYSA-N 0 0 418.371 4.990 50 0 HJAARN CC[C@H]1CCCCN1C(=O)c1cccc(-n2nc(-c3nnc(C)o3)cc2CC(C)C)c1 ZINC000023334808 559172780 /nfs/dbraw/zinc/17/27/80/559172780.db2.gz DLPCWDDFUJJDMF-IBGZPJMESA-N 0 0 421.545 4.834 50 0 HJAARN COc1ccc(-c2ccc3nc(-c4cccc5c4OCO5)oc3c2)c(OC)c1OC ZINC000023459073 559175586 /nfs/dbraw/zinc/17/55/86/559175586.db2.gz PPSMVKVBDQYTHY-UHFFFAOYSA-N 0 0 405.406 4.916 50 0 HJAARN O=C(Cn1cc(-c2nnc(-c3ccccc3)o2)c2ccccc21)NCc1ccccc1 ZINC000011695952 559188718 /nfs/dbraw/zinc/18/87/18/559188718.db2.gz YFBRCFJTVSESFM-UHFFFAOYSA-N 0 0 408.461 4.675 50 0 HJAARN COc1ccccc1Oc1c(CN(C(=O)C2CC2)C2CC2)c(C)nn1-c1ccccc1 ZINC000035976608 559190022 /nfs/dbraw/zinc/19/00/22/559190022.db2.gz GNGMLDPLCHMKOM-UHFFFAOYSA-N 0 0 417.509 4.883 50 0 HJAARN Cc1ccc(NC(=O)CSc2nnc(NC(=O)Nc3ccccc3)s2)c(C)c1 ZINC000004851556 559191138 /nfs/dbraw/zinc/19/11/38/559191138.db2.gz GCYWSPFZMHFDLP-UHFFFAOYSA-N 0 0 413.528 4.530 50 0 HJAARN CCCn1c(SCC(=O)Nc2ccccc2CC)nc2c3ccccc3oc2c1=O ZINC000004852713 559191499 /nfs/dbraw/zinc/19/14/99/559191499.db2.gz IIMFWPWUYCHVNR-UHFFFAOYSA-N 0 0 421.522 4.846 50 0 HJAARN CCCn1c(SCC(=O)Nc2ccccc2C)nc2c3ccccc3oc2c1=O ZINC000004852692 559191512 /nfs/dbraw/zinc/19/15/12/559191512.db2.gz NYNUTVRSDKZDTP-UHFFFAOYSA-N 0 0 407.495 4.592 50 0 HJAARN Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CCNCS(=O)(=O)c2ccc(F)cc2)C1(C)C ZINC000033434066 559191895 /nfs/dbraw/zinc/19/18/95/559191895.db2.gz KYMABHKBLRJVOF-UGKGYDQZSA-N 0 0 414.546 4.766 50 0 HJAARN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CCNCS(=O)(=O)c2ccc(F)cc2)C1(C)C ZINC000033434062 559191917 /nfs/dbraw/zinc/19/19/17/559191917.db2.gz KYMABHKBLRJVOF-KNQAVFIVSA-N 0 0 414.546 4.766 50 0 HJAARN O=C1N=C(c2ccccc2)C(c2nc3ccccc3[nH]2)[C@@H](c2ccc(F)c(F)c2)N1 ZINC000004864407 559193558 /nfs/dbraw/zinc/19/35/58/559193558.db2.gz DKRYWMGEQPFJNZ-OAQYLSRUSA-N 0 0 402.404 4.764 50 0 HJAARN CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(C)C ZINC000004872665 559194671 /nfs/dbraw/zinc/19/46/71/559194671.db2.gz JUJZKJRUARUSDY-AZIODVPDSA-N 0 0 410.602 4.824 50 0 HJAARN CCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3)nn2[C@H]1c1ccccc1C ZINC000004879298 559196054 /nfs/dbraw/zinc/19/60/54/559196054.db2.gz QDSOXLFTNSJCIL-FQEVSTJZSA-N 0 0 420.538 4.731 50 0 HJAARN CCOc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)cc1 ZINC000004881995 559197074 /nfs/dbraw/zinc/19/70/74/559197074.db2.gz GDNGBFFFTXHGQK-BJKOFHAPSA-N 0 0 412.489 4.561 50 0 HJAARN CCOc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000004882003 559197106 /nfs/dbraw/zinc/19/71/06/559197106.db2.gz YBFXWORKEFOYQB-DNQXCXABSA-N 0 0 412.489 4.561 50 0 HJAARN Cc1ccc(C(=O)N2C(=S)C(c3ccc(Br)cc3)=NC2(C)C)cc1 ZINC000004891656 559198537 /nfs/dbraw/zinc/19/85/37/559198537.db2.gz SSWYUUAWDMIUEH-UHFFFAOYSA-N 0 0 401.329 4.766 50 0 HJAARN COc1ccc(OC)c(NC(=S)NC(=O)c2sc3ccccc3c2Cl)c1 ZINC000004892972 559198746 /nfs/dbraw/zinc/19/87/46/559198746.db2.gz HEETYSPKFHIKQV-UHFFFAOYSA-N 0 0 406.916 4.699 50 0 HJAARN COc1cc(OC)c(N[C@H]2c3ccccc3C(=O)N2c2cc(C)ccn2)cc1Cl ZINC000004900603 559199528 /nfs/dbraw/zinc/19/95/28/559199528.db2.gz QDECIZSMGKDTLE-OAQYLSRUSA-N 0 0 409.873 4.832 50 0 HJAARN COc1ccc(CCNC(=O)c2cc3cc4ccc(Cl)cc4nc3o2)cc1OC ZINC000004908664 559201103 /nfs/dbraw/zinc/20/11/03/559201103.db2.gz YUAIKGTYXGPREH-UHFFFAOYSA-N 0 0 410.857 4.624 50 0 HJAARN Cc1cccc(OCCCn2c3ccccc3nc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000004910932 559202569 /nfs/dbraw/zinc/20/25/69/559202569.db2.gz NAGKBCQRIAHSKA-IBGZPJMESA-N 0 0 405.542 4.928 50 0 HJAARN Cc1cccc(OCCCn2c3ccccc3nc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000004910928 559202595 /nfs/dbraw/zinc/20/25/95/559202595.db2.gz NAGKBCQRIAHSKA-LJQANCHMSA-N 0 0 405.542 4.928 50 0 HJAARN CCn1cc(/C=C(\NC(=O)c2ccccc2)C(=O)N2CCCCCC2)c2ccccc21 ZINC000004919084 559204697 /nfs/dbraw/zinc/20/46/97/559204697.db2.gz KNUBGOSCTKZHHJ-NKFKGCMQSA-N 0 0 415.537 4.835 50 0 HJAARN Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)Nc1cccc(F)c1 ZINC000004935533 559210439 /nfs/dbraw/zinc/21/04/39/559210439.db2.gz UFVNSYFFFUYKNU-UHFFFAOYSA-N 0 0 406.436 4.863 50 0 HJAARN CN(Cc1ccccc1)c1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1 ZINC000004932994 559210888 /nfs/dbraw/zinc/21/08/88/559210888.db2.gz DDJGPAGLGXXNIE-UHFFFAOYSA-N 0 0 404.491 4.811 50 0 HJAARN CC(C)Oc1cccc([C@H](NCc2cc(F)ccc2N2CCOCC2)C(F)F)c1 ZINC000408516262 559212775 /nfs/dbraw/zinc/21/27/75/559212775.db2.gz ARCPVIKEPRUOTM-NRFANRHFSA-N 0 0 408.464 4.546 50 0 HJAARN Cc1nn(-c2ccccc2)c2ncc(C(=O)NCc3ccc(Cl)cc3)c(Cl)c12 ZINC000004941143 559213661 /nfs/dbraw/zinc/21/36/61/559213661.db2.gz OAXRDZDMMCKPPD-UHFFFAOYSA-N 0 0 411.292 4.966 50 0 HJAARN Cc1ccc(C)c(C(=O)CSc2nnc(COc3ccc(Cl)cc3)n2C)c1 ZINC000004947533 559214079 /nfs/dbraw/zinc/21/40/79/559214079.db2.gz WPBKSQVWFKRYCK-UHFFFAOYSA-N 0 0 401.919 4.639 50 0 HJAARN CC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4ccccc4c3)=NN12 ZINC000004981654 559223544 /nfs/dbraw/zinc/22/35/44/559223544.db2.gz JUFWQTPOLGKAOF-XMMPIXPASA-N 0 0 411.505 4.722 50 0 HJAARN CCn1c(SCC(=O)Nc2cc(C(C)(C)C)ccc2O)nnc1-c1ccccc1 ZINC000004988440 559224188 /nfs/dbraw/zinc/22/41/88/559224188.db2.gz NOYKVJKOXSCQFM-UHFFFAOYSA-N 0 0 410.543 4.699 50 0 HJAARN Cc1cc(C(=O)CSc2nnc(C)n2Cc2ccccc2)c(C)n1Cc1ccco1 ZINC000004984940 559224306 /nfs/dbraw/zinc/22/43/06/559224306.db2.gz IUKMOIONGBOSMC-UHFFFAOYSA-N 0 0 420.538 4.669 50 0 HJAARN COc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1OC ZINC000004998179 559225743 /nfs/dbraw/zinc/22/57/43/559225743.db2.gz VGPNKYUMCCQXKA-AWEZNQCLSA-N 0 0 409.486 4.542 50 0 HJAARN CCOc1ccc(NC(=O)c2cccc3c2C(=O)N(c2ccc(OC)cc2)C3)cc1 ZINC000005006017 559227208 /nfs/dbraw/zinc/22/72/08/559227208.db2.gz JWDMZPKLPZVJCP-UHFFFAOYSA-N 0 0 402.450 4.507 50 0 HJAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)Cc1ccc(Br)cc1 ZINC000005018369 559228802 /nfs/dbraw/zinc/22/88/02/559228802.db2.gz GNKPYOJGVNRVQX-ZTFGCOKTSA-N 0 0 411.336 4.539 50 0 HJAARN CCOc1ccc(CNC(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)cc1 ZINC000005022697 559230569 /nfs/dbraw/zinc/23/05/69/559230569.db2.gz PXJARGZTUUNAOF-UHFFFAOYSA-N 0 0 409.486 4.770 50 0 HJAARN COc1ccc(CCNC(=O)c2cc3c(s2)-c2c(C)cccc2OC3)c(OC)c1 ZINC000005050027 559236786 /nfs/dbraw/zinc/23/67/86/559236786.db2.gz ICBPFFYQQGMCPB-UHFFFAOYSA-N 0 0 409.507 4.606 50 0 aggregator HJAARN O=C(CN1c2ccccc2S[C@@H](c2ccccc2)CC1=O)NCc1ccc(F)cc1 ZINC000005053114 559237335 /nfs/dbraw/zinc/23/73/35/559237335.db2.gz JFLLCFQXBBDCKA-JOCHJYFZSA-N 0 0 420.509 4.712 50 0 HJAARN Fc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@H](c1cccs1)N1NC=NC1=N2 ZINC000005055148 559237521 /nfs/dbraw/zinc/23/75/21/559237521.db2.gz VTYVIMHYEBTTCM-LEWJYISDSA-N 0 0 402.454 4.691 50 0 HJAARN COc1ccc(CNc2cc(C)nc3c(-c4ccc(OC)c(OC)c4)c(C)nn32)cc1 ZINC000005058897 559238906 /nfs/dbraw/zinc/23/89/06/559238906.db2.gz TWCYMPJYRKTZKP-UHFFFAOYSA-N 0 0 418.497 4.651 50 0 HJAARN Fc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 ZINC000005053758 559238939 /nfs/dbraw/zinc/23/89/39/559238939.db2.gz MCZWQRPBPUICEI-DHIUTWEWSA-N 0 0 414.415 4.769 50 0 HJAARN CSc1cccc(NC(=O)CSc2cc(=O)n(C)c3ccc(Cl)cc23)c1 ZINC000005066869 559239921 /nfs/dbraw/zinc/23/99/21/559239921.db2.gz BWXWPUOTKGGOEW-UHFFFAOYSA-N 0 0 404.944 4.645 50 0 HJAARN CCOc1ccc2nc(N3CCC[C@H](C(=O)Nc4ccc(OC)cc4)C3)sc2c1 ZINC000005086282 559242995 /nfs/dbraw/zinc/24/29/95/559242995.db2.gz IJCIULRVOAYDRF-HNNXBMFYSA-N 0 0 411.527 4.559 50 0 HJAARN CCOc1ccc2nc(N3CCC(C(=O)NCCC4=CCCCC4)CC3)sc2c1 ZINC000005086196 559243032 /nfs/dbraw/zinc/24/30/32/559243032.db2.gz OJAYECUYOIHDAF-UHFFFAOYSA-N 0 0 413.587 4.918 50 0 HJAARN CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCc4ccc(C)cc4)C3)sc2c1 ZINC000005105582 559245780 /nfs/dbraw/zinc/24/57/80/559245780.db2.gz VKJFJZOAHWSTSK-GOSISDBHSA-N 0 0 409.555 4.536 50 0 HJAARN CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nc2c3ccccc3[nH]c2c1=O ZINC000005106483 559245908 /nfs/dbraw/zinc/24/59/08/559245908.db2.gz QEBILKHQCSJXOX-UHFFFAOYSA-N 0 0 420.538 4.554 50 0 HJAARN O=C(Nc1ccc2c(c1)OCCO2)c1oc2ccccc2c1NC(=O)C1CCCCC1 ZINC000005107114 559246087 /nfs/dbraw/zinc/24/60/87/559246087.db2.gz WBWZEJDSXPEJME-UHFFFAOYSA-N 0 0 420.465 4.975 50 0 HJAARN O=C(Oc1ccccc1)Oc1c(Cl)cc2oc(=O)sc2c1Br ZINC000005125398 559248200 /nfs/dbraw/zinc/24/82/00/559248200.db2.gz MWFJPVIFHLYBDT-UHFFFAOYSA-N 0 0 401.621 4.848 50 0 biogenic HJAARN COc1ccc(Cl)cc1C(=O)NCCc1sc(-c2cccc(F)c2)nc1C ZINC000005137084 559249995 /nfs/dbraw/zinc/24/99/95/559249995.db2.gz OSEOFIDOBYHFCF-UHFFFAOYSA-N 0 0 404.894 4.892 50 0 HJAARN Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)COc1ccccc1F ZINC000005136943 559250039 /nfs/dbraw/zinc/25/00/39/559250039.db2.gz UZIZDVNACAKYAB-UHFFFAOYSA-N 0 0 404.894 4.649 50 0 HJAARN CCOc1ccccc1CNC(=O)c1oc2ccc3c(c2c1C)C(=O)CC(C)(C)O3 ZINC000005135659 559250610 /nfs/dbraw/zinc/25/06/10/559250610.db2.gz HEZRATASSGXXFY-UHFFFAOYSA-N 0 0 407.466 4.814 50 0 HJAARN C[C@@H]1CCc2nn(CC(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)cc2C1 ZINC000005148063 559252900 /nfs/dbraw/zinc/25/29/00/559252900.db2.gz UOSAZLZEYHOVKS-OAHLLOKOSA-N 0 0 407.901 4.531 50 0 HJAARN O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)c1ccc(Br)cc1 ZINC000005152765 559254121 /nfs/dbraw/zinc/25/41/21/559254121.db2.gz VXHNEUIEBNRFCT-IBGZPJMESA-N 0 0 411.299 4.576 50 0 HJAARN CCN(C)C(=O)c1cc2sc(Br)cc2n1Cc1ccccc1OC ZINC000037587884 559255485 /nfs/dbraw/zinc/25/54/85/559255485.db2.gz IKNSPAYZASRITM-UHFFFAOYSA-N 0 0 407.333 4.614 50 0 HJAARN COc1cc(OC)c(NC(=O)Cc2csc(-c3ccccc3F)n2)cc1Cl ZINC000011867521 559264545 /nfs/dbraw/zinc/26/45/45/559264545.db2.gz SLTOQTABBVKGSA-UHFFFAOYSA-N 0 0 406.866 4.801 50 0 HJAARN COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1c1cccn1C ZINC000248158134 559265731 /nfs/dbraw/zinc/26/57/31/559265731.db2.gz WESZFEPIDFFJTJ-LADGPHEKSA-N 0 0 403.526 4.859 50 0 HJAARN C=CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)C(C(=O)OC)=C1C ZINC000002174361 559275200 /nfs/dbraw/zinc/27/52/00/559275200.db2.gz GERJGFYVQXNXFF-UDWIEESQSA-N 0 0 410.901 4.606 50 0 HJAARN COc1cc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)ccc1OC(C)C ZINC000005164790 559276979 /nfs/dbraw/zinc/27/69/79/559276979.db2.gz KFEOJWUZCJWSPS-DKOVKCOZSA-N 0 0 406.526 4.510 50 0 HJAARN Cc1ccccc1-c1nc2scc(CCNC(=O)c3ccc(OC(C)C)cc3)n2n1 ZINC000005166453 559281975 /nfs/dbraw/zinc/28/19/75/559281975.db2.gz BXJNKRXONGUPNB-UHFFFAOYSA-N 0 0 420.538 4.526 50 0 HJAARN Cc1nnc2ccc(-c3cccc(NC(=O)C(c4ccccc4)c4ccccc4)c3)nn12 ZINC000005168835 559287146 /nfs/dbraw/zinc/28/71/46/559287146.db2.gz BTWLJEKVORTLQT-UHFFFAOYSA-N 0 0 419.488 4.870 50 0 HJAARN O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3c(cccc3F)s2)CC1 ZINC000005181987 559289854 /nfs/dbraw/zinc/28/98/54/559289854.db2.gz KOEMPYQFGXRWDR-UHFFFAOYSA-N 0 0 410.301 4.705 50 0 HJAARN C[C@H]1CCc2c(sc(NC(=O)CCSc3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000005191839 559291511 /nfs/dbraw/zinc/29/15/11/559291511.db2.gz GNJMZEWQPVLNAT-NSHDSACASA-N 0 0 408.976 4.746 50 0 HJAARN CC(C)(C)c1ccc(-c2nc3ccccc3c(=O)n2NC(=O)Cc2ccccc2)cc1 ZINC000005199327 559292473 /nfs/dbraw/zinc/29/24/73/559292473.db2.gz DLBLUCXNRNOWJG-UHFFFAOYSA-N 0 0 411.505 4.674 50 0 HJAARN COc1ccc([C@H]2SCC(=O)Nc3c2cnn3C)cc1OCc1ccccc1F ZINC000061718898 559293209 /nfs/dbraw/zinc/29/32/09/559293209.db2.gz USEXETHJVOCQRP-HXUWFJFHSA-N 0 0 413.474 4.571 50 0 HJAARN COc1cc(C(=O)Oc2ccc(C(C)(C)C)cc2Br)cc(OC)c1OC ZINC000001112098 560180491 /nfs/dbraw/zinc/18/04/91/560180491.db2.gz PIRYAOHTGGGBRK-UHFFFAOYSA-N 0 0 423.303 4.992 50 0 biogenic,in-vitro HJAARN Cc1[nH]c2ccccc2c1CCNC(=O)c1ccccc1NC(=O)c1cccs1 ZINC000002505881 560187104 /nfs/dbraw/zinc/18/71/04/560187104.db2.gz FXBQJKLKNMBCRH-UHFFFAOYSA-N 0 0 403.507 4.763 50 0 biogenic,in-vitro HJAARN CC(C)(C)c1ccc(C(=O)NCCc2csc3nc(-c4ccccc4)nn23)cc1 ZINC000005202278 560537557 /nfs/dbraw/zinc/53/75/57/560537557.db2.gz RHBIKHAGUXEHHL-UHFFFAOYSA-N 0 0 404.539 4.728 50 0 HJAARN CCCN(C(=O)CCc1nc(-c2ccco2)no1)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000078874779 560540493 /nfs/dbraw/zinc/54/04/93/560540493.db2.gz QRCKEXNIJDELPO-MOPGFXCFSA-N 0 0 415.534 4.629 50 0 HJAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1c1ccccn1 ZINC000005240529 560549233 /nfs/dbraw/zinc/54/92/33/560549233.db2.gz DWGLMTUJPLHTEJ-LJQANCHMSA-N 0 0 406.800 4.730 50 0 HJAARN CCOc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1OCC ZINC000005249844 560549259 /nfs/dbraw/zinc/54/92/59/560549259.db2.gz XFEVXYOLDKKGSF-IVYUTVGYSA-N 0 0 406.526 4.511 50 0 HJAARN O=C([O-])[C@@H](CC(=O)Nc1ccc(Nc2ccccc2)cc1)[NH2+]CCC1=CCCCC1 ZINC000005257989 560550976 /nfs/dbraw/zinc/55/09/76/560550976.db2.gz ROBCOSGWWOTJSX-JOCHJYFZSA-N 0 0 407.514 4.692 50 0 HJAARN CCCCCOc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCC)cc1 ZINC000005253918 560551864 /nfs/dbraw/zinc/55/18/64/560551864.db2.gz JFMYOZXGRGXUMJ-QHCPKHFHSA-N 0 0 422.525 4.641 50 0 HJAARN Cc1cccc2sc(NC(=O)c3cccn(Cc4ccc(Cl)cc4)c3=O)nc21 ZINC000005269426 560560206 /nfs/dbraw/zinc/56/02/06/560560206.db2.gz XBBSKXVNUSNPNU-UHFFFAOYSA-N 0 0 409.898 4.720 50 0 HJAARN COc1cc(CNc2cc(Cl)ccc2C)cc(I)c1O ZINC000409115540 560560221 /nfs/dbraw/zinc/56/02/21/560560221.db2.gz MQEGUWGLNFFFRB-UHFFFAOYSA-N 0 0 403.647 4.579 50 0 HJAARN Cc1ccc(-n2c(SCc3cn4ccccc4n3)nnc2-c2cccnc2)c(C)c1 ZINC000006365700 560560449 /nfs/dbraw/zinc/56/04/49/560560449.db2.gz OLLJXYXAJZQYPX-UHFFFAOYSA-N 0 0 412.522 4.886 50 0 HJAARN CC(=O)c1cccc(NC(=O)c2cccn(Cc3ccc(Cl)cc3Cl)c2=O)c1 ZINC000005270842 560560924 /nfs/dbraw/zinc/56/09/24/560560924.db2.gz ZJANPCOFTBCJJE-UHFFFAOYSA-N 0 0 415.276 4.658 50 0 HJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc(F)c2)N1c1ccccn1 ZINC000005271760 560561033 /nfs/dbraw/zinc/56/10/33/560561033.db2.gz VTMRAMPFEAOZAB-LJQANCHMSA-N 0 0 406.800 4.730 50 0 HJAARN Cc1ccc(-c2csc3ncn(CC(=O)c4ccc(F)c(F)c4)c(=O)c23)s1 ZINC000005291285 560562117 /nfs/dbraw/zinc/56/21/17/560562117.db2.gz RZGJPUQTSBNCPA-UHFFFAOYSA-N 0 0 402.447 4.656 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O ZINC000005304466 560563004 /nfs/dbraw/zinc/56/30/04/560563004.db2.gz XRIDISUGDVFRMS-UHFFFAOYSA-N 0 0 403.869 4.659 50 0 HJAARN O=C(NCCC1=CCCCC1)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O ZINC000005305438 560563351 /nfs/dbraw/zinc/56/33/51/560563351.db2.gz AGYYLSWVMGKTJX-UHFFFAOYSA-N 0 0 421.928 4.719 50 0 HJAARN Cc1ccc(NC(=O)c2cc3cccnc3n(Cc3ccc(Cl)cc3)c2=O)c(C)c1 ZINC000005305498 560563482 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/nfs/dbraw/zinc/89/85/42/560898542.db2.gz CYQBLZLHEVHCDN-UHFFFAOYSA-N 0 0 405.473 4.786 50 0 HJAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000045942701 568422532 /nfs/dbraw/zinc/42/25/32/568422532.db2.gz OZDXHZCLAZICML-OAQYLSRUSA-N 0 0 406.869 4.796 50 0 HJAARN O=C1C(=O)N(Cc2ccccn2)[C@@H](c2ccc(Br)cc2)C1c1ccccc1 ZINC000045942637 568422564 /nfs/dbraw/zinc/42/25/64/568422564.db2.gz QSAYSAWBTSPKSW-FQEVSTJZSA-N 0 0 421.294 4.897 50 0 HJAARN CC[C@@H](C)NC(=O)COc1cc(C)c2c(-c3ccccc3)nn(-c3ccccc3)c2n1 ZINC000046016584 568424382 /nfs/dbraw/zinc/42/43/82/568424382.db2.gz ZQAANMUARKRTNK-GOSISDBHSA-N 0 0 414.509 4.689 50 0 HJAARN CCc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000046043977 568424849 /nfs/dbraw/zinc/42/48/49/568424849.db2.gz XOWUCOQVNILBLU-KRWDZBQOSA-N 0 0 404.432 4.759 50 0 HJAARN CSc1cccc(NC(=O)[C@H]2CCCN(C(=O)Cc3cccc4ccccc43)C2)c1 ZINC000046045196 568425149 /nfs/dbraw/zinc/42/51/49/568425149.db2.gz SFPJXBKAWPKZJV-FQEVSTJZSA-N 0 0 418.562 4.982 50 0 HJAARN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(Br)c3)C2)c1 ZINC000046045687 568425190 /nfs/dbraw/zinc/42/51/90/568425190.db2.gz UNONLKQUGYVHLK-INIZCTEOSA-N 0 0 415.331 4.557 50 0 HJAARN CCOc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2cc(C)cc(C)c2)cc1 ZINC000046056597 568425880 /nfs/dbraw/zinc/42/58/80/568425880.db2.gz VKYDDDMKMAWARK-HXUWFJFHSA-N 0 0 403.482 4.505 50 0 HJAARN CCOc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)cc1 ZINC000046056612 568425939 /nfs/dbraw/zinc/42/59/39/568425939.db2.gz HYIAIZPIFPVXHX-SFHVURJKSA-N 0 0 409.873 4.542 50 0 HJAARN CCS(=O)(=O)N(C)c1ccc2sc(C(=O)Nc3cc(C)cc(C)c3)cc2c1 ZINC000046058352 568426474 /nfs/dbraw/zinc/42/64/74/568426474.db2.gz LNPNMCJMNUHCNO-UHFFFAOYSA-N 0 0 402.541 4.556 50 0 HJAARN COc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(C)c1 ZINC000046078696 568427587 /nfs/dbraw/zinc/42/75/87/568427587.db2.gz KCAUVTWPCGLFFG-UHFFFAOYSA-N 0 0 400.478 4.849 50 0 HJAARN O=C(Nc1ccc(F)cc1F)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000046078990 568427660 /nfs/dbraw/zinc/42/76/60/568427660.db2.gz SIIABKQMGCYBKG-UHFFFAOYSA-N 0 0 410.395 4.949 50 0 HJAARN CCCCOc1ccc(-c2cc(C(=O)Nc3nnc(CC(C)C)s3)no2)cc1 ZINC000046086641 568428095 /nfs/dbraw/zinc/42/80/95/568428095.db2.gz LTPCMLPZQNFYRX-UHFFFAOYSA-N 0 0 400.504 4.823 50 0 HJAARN CCC(CC)C(=O)N1CCC[C@H](c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)C1 ZINC000046122777 568428323 /nfs/dbraw/zinc/42/83/23/568428323.db2.gz JVCUOZYQXCSKRY-AWEZNQCLSA-N 0 0 420.966 4.586 50 0 HJAARN CCCOC(=O)c1ccc(NC(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000048020420 568431810 /nfs/dbraw/zinc/43/18/10/568431810.db2.gz PLHSJFQDOAGEQG-KRWDZBQOSA-N 0 0 406.486 4.541 50 0 HJAARN FC(F)(F)c1ccc(-c2noc(CNc3cc4c(cc3Cl)OCCO4)n2)cc1 ZINC000048236046 568432984 /nfs/dbraw/zinc/43/29/84/568432984.db2.gz VIXHTAYLTVRGGM-UHFFFAOYSA-N 0 0 411.767 4.792 50 0 HJAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cccc(-n3ccnc3SC)c2)c1 ZINC000048272946 568434048 /nfs/dbraw/zinc/43/40/48/568434048.db2.gz PQCCKGMCAMRUGY-FQEVSTJZSA-N 0 0 423.538 4.589 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCOc1ccc(F)c(Cl)c1 ZINC000048287543 568434650 /nfs/dbraw/zinc/43/46/50/568434650.db2.gz FXLAZHVIMJGTGT-UHFFFAOYSA-N 0 0 415.896 4.709 50 0 HJAARN CSc1nnc(CSc2nc3scc(-c4cccs4)c3c(=O)n2C)s1 ZINC000048279387 568435827 /nfs/dbraw/zinc/43/58/27/568435827.db2.gz FUNNSVXFIQDOBZ-UHFFFAOYSA-N 0 0 424.623 4.589 50 0 HJAARN Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NCc3ccc(O)cc3)cc12 ZINC000048309953 568436504 /nfs/dbraw/zinc/43/65/04/568436504.db2.gz XAOFLCPOZUFION-UHFFFAOYSA-N 0 0 411.914 4.744 50 0 HJAARN COc1ccc([C@H]2CCCCCN2C(=O)c2cc3cc(OC)cc(OC)c3[nH]2)cc1 ZINC000048299032 568437089 /nfs/dbraw/zinc/43/70/89/568437089.db2.gz MQUIJYBGAGIXDX-OAQYLSRUSA-N 0 0 408.498 4.951 50 0 HJAARN COc1ccc(Cl)cc1-n1nnc(-c2nc(-c3ccc(C)cc3C)cs2)c1N ZINC000049001863 568443827 /nfs/dbraw/zinc/44/38/27/568443827.db2.gz ANLHCJOUJQGOAT-UHFFFAOYSA-N 0 0 411.918 4.919 50 0 HJAARN CCOC(=O)c1c(=O)[nH]c2c(C)cccc2c1NCc1ccccc1C(F)(F)F ZINC000049001471 568443862 /nfs/dbraw/zinc/44/38/62/568443862.db2.gz REVCFYVRGSLPMT-UHFFFAOYSA-N 0 0 404.388 4.644 50 0 HJAARN Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)NCCC4=CCCCC4)C3)nn2)cc1C ZINC000048990667 568444282 /nfs/dbraw/zinc/44/42/82/568444282.db2.gz URKCESDHMAWBHP-HSZRJFAPSA-N 0 0 418.585 4.984 50 0 HJAARN Cc1cc(SCC(=O)Nc2cc(Cl)ccc2Cl)nc(-c2cccnc2)n1 ZINC000049007072 568444906 /nfs/dbraw/zinc/44/49/06/568444906.db2.gz FGHYTKFECSPGSE-UHFFFAOYSA-N 0 0 405.310 4.885 50 0 HJAARN CCOc1ccc(Nc2cc(C(=O)N3CCSCC3)nc3c(OC)cccc23)cc1 ZINC000049003040 568446340 /nfs/dbraw/zinc/44/63/40/568446340.db2.gz ZQPRFCGGUMSKTK-UHFFFAOYSA-N 0 0 423.538 4.575 50 0 HJAARN COc1ccc(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc32)c(OC)c1 ZINC000049004698 568446748 /nfs/dbraw/zinc/44/67/48/568446748.db2.gz FEEDHSDQNBQURQ-UHFFFAOYSA-N 0 0 420.513 4.715 50 0 HJAARN COc1ccc(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc32)cc1OC ZINC000049004693 568446749 /nfs/dbraw/zinc/44/67/49/568446749.db2.gz MVPGPICTLOIZPV-UHFFFAOYSA-N 0 0 420.513 4.715 50 0 HJAARN COc1ccc(C2=CCN(C(=O)c3cnn(Cc4ccccc4Cl)c3)CC2)cc1 ZINC000049275382 568446951 /nfs/dbraw/zinc/44/69/51/568446951.db2.gz YFXLJXACKHWJGR-UHFFFAOYSA-N 0 0 407.901 4.523 50 0 HJAARN O=C(CSc1nccc(N2CCCC2)n1)Nc1ccc(Oc2ccccc2)cc1 ZINC000049399583 568447379 /nfs/dbraw/zinc/44/73/79/568447379.db2.gz DVCBIFIVBYJRSR-UHFFFAOYSA-N 0 0 406.511 4.600 50 0 HJAARN Cc1ccc(-c2noc(C3CCN(CC(=O)Nc4cccc(Cl)c4)CC3)n2)cc1 ZINC000049403296 568448199 /nfs/dbraw/zinc/44/81/99/568448199.db2.gz MVLICHKHIYPCNA-UHFFFAOYSA-N 0 0 410.905 4.517 50 0 HJAARN Cc1cccc2sc(OC3CCN(C(=O)CSc4ccc(F)cc4)CC3)nc21 ZINC000049431828 568450869 /nfs/dbraw/zinc/45/08/69/568450869.db2.gz CFDDYJKFQOASEZ-UHFFFAOYSA-N 0 0 416.543 4.906 50 0 HJAARN Cc1cccc2sc(OC3CCN(C(=O)c4ccc(Br)o4)CC3)nc21 ZINC000049431736 568450911 /nfs/dbraw/zinc/45/09/11/568450911.db2.gz CHQANVRJPTVVLW-UHFFFAOYSA-N 0 0 421.316 4.644 50 0 HJAARN Cn1c(=O)sc2c1N(c1ccccc1)C(=O)C[C@@H]2c1ccc(Cl)cc1Cl ZINC000049548966 568451685 /nfs/dbraw/zinc/45/16/85/568451685.db2.gz ZGDDGVWQBKHHCX-CQSZACIVSA-N 0 0 405.306 4.954 50 0 HJAARN Cn1c(=O)sc2c1N(c1ccccc1)C(=O)C[C@H]2c1ccc(C(F)(F)F)cc1 ZINC000049548591 568451709 /nfs/dbraw/zinc/45/17/09/568451709.db2.gz JRPSOONCAARCPD-HNNXBMFYSA-N 0 0 404.413 4.666 50 0 HJAARN COCc1nn2c(c1-c1ccccc1)NC(=O)C[C@H]2C(=O)Nc1cccc(Cl)c1 ZINC000049550262 568451928 /nfs/dbraw/zinc/45/19/28/568451928.db2.gz JWBFQYZXVODIAE-KRWDZBQOSA-N 0 0 410.861 4.521 50 0 HJAARN Cn1cc(CC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)c2ccccc21 ZINC000049506158 568452305 /nfs/dbraw/zinc/45/23/05/568452305.db2.gz DDVOPFLDQCDGIW-UHFFFAOYSA-N 0 0 423.516 4.953 50 0 HJAARN COc1ccccc1-c1ccccc1C(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1 ZINC000049748928 568453433 /nfs/dbraw/zinc/45/34/33/568453433.db2.gz SKVUSYPERUBAJA-UHFFFAOYSA-N 0 0 414.461 4.658 50 0 HJAARN CCOc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3OC)o2)cc1 ZINC000012248334 568455883 /nfs/dbraw/zinc/45/58/83/568455883.db2.gz WJAUYXVVQMQIKW-UHFFFAOYSA-N 0 0 419.890 4.528 50 0 HJAARN Cc1ccc(NC(=O)c2cc3c(n(-c4ccc(C)cc4)c2=O)CC(C)(C)CC3=O)cc1 ZINC000006732617 568458750 /nfs/dbraw/zinc/45/87/50/568458750.db2.gz FFHMQIJVXZRSJH-UHFFFAOYSA-N 0 0 414.505 4.862 50 0 HJAARN COc1ccc2c(c1)n(Cc1ccc(C)cc1)c(C(=O)[O-])c2C[NH2+]Cc1ccccc1 ZINC000006794548 568459194 /nfs/dbraw/zinc/45/91/94/568459194.db2.gz BYVQFSJTHPHNJF-UHFFFAOYSA-N 0 0 414.505 4.995 50 0 HJAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(Oc3ccccc3)c2)n2ncnc2N1 ZINC000012289291 568459332 /nfs/dbraw/zinc/45/93/32/568459332.db2.gz OXCFDRZSOVDVJK-HSZRJFAPSA-N 0 0 423.476 4.998 50 0 HJAARN Nc1c2ccc(-c3ccc(F)cc3)nc2sc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000000661620 568460220 /nfs/dbraw/zinc/46/02/20/568460220.db2.gz OYFKVUREYCOSHR-UHFFFAOYSA-N 0 0 407.426 4.666 50 0 HJAARN CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(OC)cc4OC)c(N)c3cc2C1 ZINC000000661901 568460236 /nfs/dbraw/zinc/46/02/36/568460236.db2.gz JRDCOXUENSTSHW-GFCCVEGCSA-N 0 0 411.527 4.663 50 0 HJAARN Cc1ccc(-c2nc(CN3C(=O)N[C@@](C)(c4ccc(Cl)cc4)C3=O)co2)c(C)c1 ZINC000024758595 568461556 /nfs/dbraw/zinc/46/15/56/568461556.db2.gz DQHBPQCPKDRBRK-QFIPXVFZSA-N 0 0 409.873 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Cc1cc(C(=O)[C@@H](C)Sc2nnc(C3CC3)n2C2CC2)c(C)n1Cc1ccco1 ZINC000007904242 568486477 /nfs/dbraw/zinc/48/64/77/568486477.db2.gz JSJDTQOTDGZNLT-OAHLLOKOSA-N 0 0 410.543 4.914 50 0 HJAARN Cc1coc(NC(=O)c2sc3nc(-c4ccncc4)cc(C(F)(F)F)c3c2N)n1 ZINC000000804100 568486494 /nfs/dbraw/zinc/48/64/94/568486494.db2.gz GOAOILSPDRMNMG-UHFFFAOYSA-N 0 0 419.388 4.508 50 0 HJAARN Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000012342261 568488651 /nfs/dbraw/zinc/48/86/51/568488651.db2.gz VDJGDBYKAXSZKR-UHFFFAOYSA-N 0 0 423.394 4.965 50 0 HJAARN O=C(CCCCCn1cccc1)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000604404696 568492411 /nfs/dbraw/zinc/49/24/11/568492411.db2.gz JESCAIGZJYTMAX-UHFFFAOYSA-N 0 0 414.347 4.877 50 0 HJAARN CCOc1ccc2nc(NC(=O)[C@@H](CC)Sc3nc(C)cc(C)n3)sc2c1 ZINC000008197434 568492759 /nfs/dbraw/zinc/49/27/59/568492759.db2.gz RALUDWTYGWKKRB-OAHLLOKOSA-N 0 0 402.545 4.611 50 0 HJAARN COc1cc2cc(C(=O)NCCc3cn(C(C)C)c4ccccc34)[nH]c2cc1OC ZINC000604418862 568492951 /nfs/dbraw/zinc/49/29/51/568492951.db2.gz NEYLENMHQYXRQP-UHFFFAOYSA-N 0 0 405.498 4.693 50 0 HJAARN O=S(=O)(N[C@@H](c1ccsc1)c1cccs1)c1ccccc1OC(F)(F)F ZINC000390831313 568494238 /nfs/dbraw/zinc/49/42/38/568494238.db2.gz RERGWVUHFZFAJM-HNNXBMFYSA-N 0 0 419.471 4.776 50 0 HJAARN Cc1nc(-c2ccc(S(=O)(=O)N[C@@H](c3ccsc3)c3cccs3)cc2)co1 ZINC000390830604 568495274 /nfs/dbraw/zinc/49/52/74/568495274.db2.gz MDSGFFSKIMUUFI-IBGZPJMESA-N 0 0 416.549 4.841 50 0 HJAARN COc1cc(/C=C2/N=C(c3ccco3)OC2=O)cc(Cl)c1OCc1ccccc1 ZINC000000822860 568498581 /nfs/dbraw/zinc/49/85/81/568498581.db2.gz FIKWOKYFIBIUQH-GZTJUZNOSA-N 0 0 409.825 4.865 50 0 HJAARN CCc1ccccc1N(CC(=O)Nc1c(C)cccc1C)S(=O)(=O)c1ccccc1 ZINC000000827646 568499679 /nfs/dbraw/zinc/49/96/79/568499679.db2.gz AHJQVHVMNHMTMG-UHFFFAOYSA-N 0 0 422.550 4.700 50 0 HJAARN O=C1N[C@H](c2cc(Br)ccc2OCc2ccccc2)Nc2ccccc21 ZINC000220956960 568509211 /nfs/dbraw/zinc/50/92/11/568509211.db2.gz KTVDBKTZCNCJEF-HXUWFJFHSA-N 0 0 409.283 4.882 50 0 HJAARN Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C ZINC000033088671 568510800 /nfs/dbraw/zinc/51/08/00/568510800.db2.gz TUTDJNSUFIWCRS-UHFFFAOYSA-N 0 0 412.898 4.706 50 0 HJAARN CCOC(=O)c1ncoc1-c1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1 ZINC000033131129 568511350 /nfs/dbraw/zinc/51/13/50/568511350.db2.gz GWJWLEFEWYWMDD-UHFFFAOYSA-N 0 0 418.493 4.613 50 0 HJAARN CCN(CCCNC(=O)c1cc(-c2ccccn2)nc2ccccc21)c1ccccc1 ZINC000033267182 568512231 /nfs/dbraw/zinc/51/22/31/568512231.db2.gz LUYVOBUWKVRNLP-UHFFFAOYSA-N 0 0 410.521 4.943 50 0 HJAARN Cc1ccc(-c2nn(Cc3nc(-c4cccc(C)c4)no3)c(=O)c3ccccc32)cc1 ZINC000033273835 568512504 /nfs/dbraw/zinc/51/25/04/568512504.db2.gz CLXSZBMIRVOKNJ-UHFFFAOYSA-N 0 0 408.461 4.779 50 0 HJAARN Cc1oc(-c2ccccc2)nc1Cn1nnc(-c2nc(-c3cccc(C)c3)no2)c1C ZINC000033296814 568513148 /nfs/dbraw/zinc/51/31/48/568513148.db2.gz XVYVFJPFHIVNNC-UHFFFAOYSA-N 0 0 412.453 4.624 50 0 HJAARN CCOP(=O)(OCC)[C@@H](NC(=O)/C=C\c1ccc(OC)cc1)c1ccccc1 ZINC000033413435 568514462 /nfs/dbraw/zinc/51/44/62/568514462.db2.gz PHPIHWTXCCRADC-QTIWRUEGSA-N 0 0 403.415 4.790 50 0 HJAARN COc1ccc2c(ccn2CCC(=O)N[C@H](CCSC)c2nc3ccccc3[nH]2)c1 ZINC000223220415 568541412 /nfs/dbraw/zinc/54/14/12/568541412.db2.gz BVMQKRZDVRQOQP-HXUWFJFHSA-N 0 0 422.554 4.527 50 0 HJAARN CN1C(=O)c2ccccc2[C@H](C(=O)NCCc2ccc(Cl)cc2)[C@@H]1c1cccs1 ZINC000020104450 568587913 /nfs/dbraw/zinc/58/79/13/568587913.db2.gz OVFUEFORWPOVRM-SFTDATJTSA-N 0 0 424.953 4.671 50 0 HJAARN O=C1[C@H](c2ccccc2)[C@H](c2cccnc2)N[C@@H](c2cccnc2)[C@@H]1c1ccccc1 ZINC000020115618 568589443 /nfs/dbraw/zinc/58/94/43/568589443.db2.gz QUBUVGOIRQLXMK-QYOOZWMWSA-N 0 0 405.501 4.999 50 0 HJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1cc(-c2ccc(O)cc2)on1 ZINC000020137465 568590164 /nfs/dbraw/zinc/59/01/64/568590164.db2.gz PHAVBAPORNZYPU-UHFFFAOYSA-N 0 0 422.872 4.815 50 0 HJAARN O=C(c1ccc2ccccc2n1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 ZINC000390828935 568591778 /nfs/dbraw/zinc/59/17/78/568591778.db2.gz CGKIWVHGHHKWJG-UHFFFAOYSA-N 0 0 402.420 4.535 50 0 HJAARN Cc1ccc2cc3cc(C(=O)N4CCN(Cc5ccccc5)CC4)sc3nc2c1 ZINC000020178732 568592999 /nfs/dbraw/zinc/59/29/99/568592999.db2.gz UHFRYRBAXGGDMY-UHFFFAOYSA-N 0 0 401.535 4.716 50 0 HJAARN O=C(CN1C(=O)/C(=C\c2ccc(Cl)cc2)Sc2ccccc21)NCc1ccco1 ZINC000020181330 568593008 /nfs/dbraw/zinc/59/30/08/568593008.db2.gz QIBWXNKNIOCPCJ-UDWIEESQSA-N 0 0 424.909 4.729 50 0 HJAARN O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)Sc2ccccc21)NCc1ccco1 ZINC000020181013 568593110 /nfs/dbraw/zinc/59/31/10/568593110.db2.gz ZFPHZOKGFDJAPW-UDWIEESQSA-N 0 0 424.909 4.729 50 0 HJAARN Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccccc2)N2CCN(C)CC2)c1C ZINC000020192878 568593570 /nfs/dbraw/zinc/59/35/70/568593570.db2.gz SJWVXNOEGXRROR-OAQYLSRUSA-N 0 0 409.555 4.547 50 0 HJAARN COc1c2c(cc3c1[C@H](CC(=O)c1ccc(-c4ccc(F)cc4)o1)N(C)CC3)OCO2 ZINC000020281646 568596658 /nfs/dbraw/zinc/59/66/58/568596658.db2.gz NXTZENRKQHCIIQ-KRWDZBQOSA-N 0 0 423.440 4.625 50 0 biogenic HJAARN Cc1ccc2nc(Cl)c3cc(C(=O)N4CCN(c5ccccn5)CC4)sc3c2c1 ZINC000020321267 568598823 /nfs/dbraw/zinc/59/88/23/568598823.db2.gz JPEJJMMSGTZVFZ-UHFFFAOYSA-N 0 0 422.941 4.769 50 0 HJAARN O=C(OCc1cn2cc(Cl)ccc2n1)c1ccccc1SC[C@@H]1CCCO1 ZINC000095393664 568604405 /nfs/dbraw/zinc/60/44/05/568604405.db2.gz TWPOJSCMYQVWIO-INIZCTEOSA-N 0 0 402.903 4.616 50 0 HJAARN Cc1ccc(-c2csc3ncnc(N4CCN(C(=O)OC(C)(C)C)CC4)c23)cc1 ZINC000040024913 568610892 /nfs/dbraw/zinc/61/08/92/568610892.db2.gz WEBRZOLFHNDJKX-UHFFFAOYSA-N 0 0 410.543 4.724 50 0 HJAARN C[C@@H](c1cccnc1)N(CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)C1CC1 ZINC000095446752 568612293 /nfs/dbraw/zinc/61/22/93/568612293.db2.gz VCMTWPFZVRWBHK-JXFKEZNVSA-N 0 0 420.538 4.639 50 0 HJAARN CCn1cnnc1[C@H]1CCCN(C(=O)Nc2ccc(C)cc2OCc2ccccc2)C1 ZINC000095460895 568620483 /nfs/dbraw/zinc/62/04/83/568620483.db2.gz OYWYBNVFSZLALW-FQEVSTJZSA-N 0 0 419.529 4.597 50 0 HJAARN CC(C)[C@H]1CCCN1c1ccc(NC(=O)CCc2nc(-c3ccco3)no2)cc1F ZINC000095465073 568622976 /nfs/dbraw/zinc/62/29/76/568622976.db2.gz BKYISPXYKYDQIE-QGZVFWFLSA-N 0 0 412.465 4.665 50 0 HJAARN CCc1cc(=O)c2cc(NC(=O)c3cc(-c4ccncc4)nc4ccccc43)ccc2[nH]1 ZINC000095465049 568623181 /nfs/dbraw/zinc/62/31/81/568623181.db2.gz ZDWMQGLMIJICIH-UHFFFAOYSA-N 0 0 420.472 4.953 50 0 HJAARN C[C@@H](C(=O)NCCc1c[nH]c2ccc(F)cc12)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC000095472211 568627471 /nfs/dbraw/zinc/62/74/71/568627471.db2.gz KXACXPSPZJFNSK-APWZRJJASA-N 0 0 406.501 4.681 50 0 HJAARN COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)cc1OC ZINC000095474590 568629388 /nfs/dbraw/zinc/62/93/88/568629388.db2.gz LHBKRXUQNARFBE-RDTXWAMCSA-N 0 0 417.531 4.622 50 0 HJAARN CC[C@H](Oc1ccccc1Cl)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000095482370 568634464 /nfs/dbraw/zinc/63/44/64/568634464.db2.gz ZAAPRHZVYNTBKH-HNNXBMFYSA-N 0 0 406.269 4.517 50 0 HJAARN O=C(COc1ccc(C2SCCCS2)cc1)N1CCC[C@H]1c1ccccn1 ZINC000055520917 568637396 /nfs/dbraw/zinc/63/73/96/568637396.db2.gz VVOKAXZOXZWQBV-IBGZPJMESA-N 0 0 400.569 4.693 50 0 HJAARN O=C1OC(c2ccc(Br)cc2)=N/C1=C\c1cc(Br)cs1 ZINC000020615696 568638078 /nfs/dbraw/zinc/63/80/78/568638078.db2.gz AUQRHWCDPBOMIB-SDQBBNPISA-N 0 0 413.090 4.618 50 0 HJAARN Cc1ccc(Cn2c(=O)cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c3ccccc32)cc1 ZINC000020681745 568640025 /nfs/dbraw/zinc/64/00/25/568640025.db2.gz YIKJOYWIZLYXQA-DNVFCKCGSA-N 0 0 402.538 4.913 50 0 HJAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)N2CCCC[C@@H]2C)c1C ZINC000020761174 568642225 /nfs/dbraw/zinc/64/22/25/568642225.db2.gz SHXKJXFYWFIAHM-INIZCTEOSA-N 0 0 400.494 4.570 50 0 HJAARN Cc1ccc(C)c(NC(=O)N2CCN(c3nc4cc(F)ccc4n4cccc34)CC2)c1 ZINC000020860518 568646010 /nfs/dbraw/zinc/64/60/10/568646010.db2.gz PVOCSLAQIHPSAK-UHFFFAOYSA-N 0 0 417.488 4.598 50 0 HJAARN C[C@@H](NC(=O)c1ccc2nc(N3CCCCC3)sc2c1)c1ccc2c(c1)OCCO2 ZINC000020865420 568646465 /nfs/dbraw/zinc/64/64/65/568646465.db2.gz SHBKGEFTHQYNRA-OAHLLOKOSA-N 0 0 423.538 4.549 50 0 HJAARN COc1ccc(-n2cc(C(=O)N(C)c3cccc(Cl)c3)c3ccccc3c2=O)cc1 ZINC000020904477 568650584 /nfs/dbraw/zinc/65/05/84/568650584.db2.gz ZWJZYJMXIKUUFJ-UHFFFAOYSA-N 0 0 418.880 4.929 50 0 HJAARN Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1NC(=O)C1=C(C)OCCS1 ZINC000020919394 568650849 /nfs/dbraw/zinc/65/08/49/568650849.db2.gz HHIBYYQHBFBQOL-HXUWFJFHSA-N 0 0 422.550 4.736 50 0 HJAARN Cc1cccc(Cn2nc3c4cc(F)ccc4n(Cc4ccc(F)cc4)cc-3c2=O)c1 ZINC000020936843 568652447 /nfs/dbraw/zinc/65/24/47/568652447.db2.gz PPXJKYQRILMGKU-UHFFFAOYSA-N 0 0 415.443 4.986 50 0 HJAARN Cc1cc(-c2ccc(C(C)C)c(S(=O)(=O)N3C[C@@H](C)Oc4ccccc43)c2)on1 ZINC000020984794 568654992 /nfs/dbraw/zinc/65/49/92/568654992.db2.gz CPORETXQFYMYJO-MRXNPFEDSA-N 0 0 412.511 4.750 50 0 HJAARN O=C(Nc1ccccc1C(F)(F)F)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000021018765 568658033 /nfs/dbraw/zinc/65/80/33/568658033.db2.gz SEOVYDYJDCCGDO-FQEVSTJZSA-N 0 0 410.395 4.916 50 0 HJAARN Cc1ccc(CNC(=O)c2cc3c(s2)-c2c(C)nn(-c4ccccc4)c2CC3)o1 ZINC000021043271 568660174 /nfs/dbraw/zinc/66/01/74/568660174.db2.gz JCSZEGATKCPHQU-UHFFFAOYSA-N 0 0 403.507 4.839 50 0 HJAARN COC(=O)c1sc(NC(=O)c2cccnc2SC(F)F)nc1C1CCCC1 ZINC000095939499 568661217 /nfs/dbraw/zinc/66/12/17/568661217.db2.gz BZOWBWYRRNEBHH-UHFFFAOYSA-N 0 0 413.471 4.549 50 0 HJAARN COc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000021106639 568667317 /nfs/dbraw/zinc/66/73/17/568667317.db2.gz NORQMVCLADQTHA-IBGZPJMESA-N 0 0 421.325 4.557 50 0 HJAARN COc1ccc(N(Cc2ccc(C(C)C)cc2)C(=O)[C@@H](C)Sc2nncn2C)cc1 ZINC000095950640 568667480 /nfs/dbraw/zinc/66/74/80/568667480.db2.gz ZLALESKFPGKNPB-QGZVFWFLSA-N 0 0 424.570 4.661 50 0 HJAARN CC(=O)N1CCc2cc(C(=O)N3CCc4cc(Cl)c(Cl)cc4[C@@H]3C)ccc21 ZINC000095965750 568670650 /nfs/dbraw/zinc/67/06/50/568670650.db2.gz QEBPZVSGMBOWTC-LBPRGKRZSA-N 0 0 403.309 4.662 50 0 HJAARN COc1cccc(NC(=O)Nc2ccc(Sc3c(C)c(C)nc4ncnn43)cc2)c1 ZINC000021147962 568671085 /nfs/dbraw/zinc/67/10/85/568671085.db2.gz OKGPQTBZSFTARA-UHFFFAOYSA-N 0 0 420.498 4.545 50 0 HJAARN Cc1ccccc1NC(=O)c1sc2nc(N3CCCC3)c3c(c2c1N)CCCC3 ZINC000021150584 568672199 /nfs/dbraw/zinc/67/21/99/568672199.db2.gz MCQSBOVHOYHODB-UHFFFAOYSA-N 0 0 406.555 4.918 50 0 HJAARN COc1ccccc1CC[NH2+]Cc1c(C)n(Cc2cccc(C)c2)c(C)c1C(=O)[O-] ZINC000021164773 568674685 /nfs/dbraw/zinc/67/46/85/568674685.db2.gz VVWYBODVINMBBA-UHFFFAOYSA-N 0 0 406.526 4.501 50 0 HJAARN C[C@@H]1CCCC[C@H]1NC(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2 ZINC000021166930 568674837 /nfs/dbraw/zinc/67/48/37/568674837.db2.gz DKWYGVSTCRNWAH-IAQYHMDHSA-N 0 0 409.960 4.664 50 0 HJAARN CC(C)(c1ccccc1)[C@H](OC(=O)c1ccc(N2CCOC2=O)cc1)C(F)(F)F ZINC000095983374 568675608 /nfs/dbraw/zinc/67/56/08/568675608.db2.gz QFNAHRHDZLMRFV-SFHVURJKSA-N 0 0 407.388 4.709 50 0 HJAARN COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)C1 ZINC000095983488 568675687 /nfs/dbraw/zinc/67/56/87/568675687.db2.gz DLBNVIOZQVMSOH-AWEZNQCLSA-N 0 0 406.935 4.515 50 0 HJAARN CSc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1 ZINC000021177347 568677623 /nfs/dbraw/zinc/67/76/23/568677623.db2.gz FAMWOONVGABYTP-OAHLLOKOSA-N 0 0 406.536 4.986 50 0 HJAARN O[C@@]12CCCC[C@H]1C1(CCCCC1)NC(=S)N2Cc1ccccc1C(F)(F)F ZINC000012389154 568686937 /nfs/dbraw/zinc/68/69/37/568686937.db2.gz KYCXZQJJARAALM-PXNSSMCTSA-N 0 0 412.521 4.977 50 0 HJAARN CC[C@@H](C)[C@@H](NC(=O)/C=C/c1ccccc1)c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000096096135 568688843 /nfs/dbraw/zinc/68/88/43/568688843.db2.gz JLSYBWGADIFURL-UHNVAXCJSA-N 0 0 421.497 4.671 50 0 HJAARN COc1cc(OC)c(NC(=O)Cc2cnc(-c3ccccc3F)s2)cc1Cl ZINC000012389823 568690423 /nfs/dbraw/zinc/69/04/23/568690423.db2.gz VDIGGXZHNXMNLO-UHFFFAOYSA-N 0 0 406.866 4.801 50 0 HJAARN CSc1ccc(/C=C/C(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)cc1 ZINC000096103616 568691924 /nfs/dbraw/zinc/69/19/24/568691924.db2.gz DEOOGMXWCKNNDH-IZZDOVSWSA-N 0 0 418.518 4.852 50 0 HJAARN COC1CCN(c2ccc(NC(=O)CCc3ccc(C(F)(F)F)cc3)cc2)CC1 ZINC000096104482 568692332 /nfs/dbraw/zinc/69/23/32/568692332.db2.gz CPGURAZXTJAHQZ-UHFFFAOYSA-N 0 0 406.448 4.892 50 0 HJAARN CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)NCc1nc2ccccc2[nH]1 ZINC000096116960 568696323 /nfs/dbraw/zinc/69/63/23/568696323.db2.gz WIIRGMSVTZRPOR-HNNXBMFYSA-N 0 0 418.324 4.698 50 0 HJAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccc3ncccc3c2)S1 ZINC000096117643 568697130 /nfs/dbraw/zinc/69/71/30/568697130.db2.gz FFMCXYCVKICOCE-LPHOPBHVSA-N 0 0 408.527 4.741 50 0 HJAARN CSc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cc1 ZINC000096117740 568697280 /nfs/dbraw/zinc/69/72/80/568697280.db2.gz ICPMPYFLXGEICV-YOEHRIQHSA-N 0 0 403.573 4.915 50 0 HJAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2cccc(OC(F)F)c2)S1 ZINC000096117956 568697399 /nfs/dbraw/zinc/69/73/99/568697399.db2.gz HLYYHQLIGMENQV-BBRMVZONSA-N 0 0 423.485 4.794 50 0 HJAARN Cc1ccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000226827716 568697786 /nfs/dbraw/zinc/69/77/86/568697786.db2.gz CVLPMAZXXKVYIN-BHDDXSALSA-N 0 0 418.880 4.700 50 0 HJAARN O=C(NCCn1nc(-c2cccs2)cc1C1CC1)c1ccccc1Br ZINC000096121611 568699835 /nfs/dbraw/zinc/69/98/35/568699835.db2.gz JAGPUZDIXPLOHC-UHFFFAOYSA-N 0 0 416.344 4.682 50 0 HJAARN CSc1ccc(NC(=O)N2CC[C@@H](Cc3nc4cccnc4n3C(C)C)C2)cc1 ZINC000096124977 568700995 /nfs/dbraw/zinc/70/09/95/568700995.db2.gz SVHVFRUQLKEFRX-INIZCTEOSA-N 0 0 409.559 4.831 50 0 HJAARN CCCCOc1ccc(C2=N/C(=C\c3c(Cl)nc4sccn34)C(=O)O2)cc1 ZINC000096133927 568701881 /nfs/dbraw/zinc/70/18/81/568701881.db2.gz VGFYLJNERSACJR-KAMYIIQDSA-N 0 0 401.875 4.573 50 0 HJAARN Cc1nn(C)c2sc(C(=O)Nc3ccnn3Cc3ccc(C(C)(C)C)cc3)cc12 ZINC000021467524 568702531 /nfs/dbraw/zinc/70/25/31/568702531.db2.gz BKKFZQPAYKINIT-UHFFFAOYSA-N 0 0 407.543 4.738 50 0 HJAARN COc1ccccc1[C@@H]1CC(=O)Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c21 ZINC000096221454 568705288 /nfs/dbraw/zinc/70/52/88/568705288.db2.gz PWAZVNNTXXUOPG-SFHVURJKSA-N 0 0 414.413 4.615 50 0 biogenic HJAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCn1ccc2c1cccc2OC ZINC000096223066 568705983 /nfs/dbraw/zinc/70/59/83/568705983.db2.gz BFKKJPDLTVQJCK-NRFANRHFSA-N 0 0 417.509 4.724 50 0 HJAARN O=C(Nc1ccc2c(c1)C(=O)Nc1cccnc1S2)c1ccc(Cl)nc1Cl ZINC000096230822 568706763 /nfs/dbraw/zinc/70/67/63/568706763.db2.gz GEGUNPJJCGVGPQ-UHFFFAOYSA-N 0 0 417.277 4.753 50 0 HJAARN CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1ccc2c(ccn2CC(C)C)c1 ZINC000096231656 568707542 /nfs/dbraw/zinc/70/75/42/568707542.db2.gz ZTIUAZLCYXEEBU-UHFFFAOYSA-N 0 0 402.498 4.849 50 0 HJAARN C[C@]1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1C1CCCCCC1 ZINC000021527512 568709679 /nfs/dbraw/zinc/70/96/79/568709679.db2.gz DLTYKLPYWAFUBG-RUZDIDTESA-N 0 0 407.558 4.637 50 0 HJAARN O=C(Nc1ccccc1Br)c1cc2cc(Br)ccc2oc1=O ZINC000000845997 568710651 /nfs/dbraw/zinc/71/06/51/568710651.db2.gz GXOSDSRDHKMEKG-UHFFFAOYSA-N 0 0 423.060 4.570 50 0 HJAARN CC(C)(C)NC(=O)c1nn2c(nc(-c3ccc(F)cc3)cc2C(F)(F)F)c1Cl ZINC000000848575 568711000 /nfs/dbraw/zinc/71/10/00/568711000.db2.gz PXXLHQYDJKPFGL-UHFFFAOYSA-N 0 0 414.790 4.736 50 0 HJAARN O=c1oc2ccc(Br)cc2cc1-c1nnc(Nc2cccc(F)c2)s1 ZINC000000856312 568713107 /nfs/dbraw/zinc/71/31/07/568713107.db2.gz RIGSNCBSZUJCOV-UHFFFAOYSA-N 0 0 418.247 4.957 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)CN1c2ccccc2Sc2ncccc2C1=O ZINC000021540116 568713526 /nfs/dbraw/zinc/71/35/26/568713526.db2.gz KUGCYSSGGUWGGO-UHFFFAOYSA-N 0 0 409.898 4.794 50 0 HJAARN CCCCN(C(=O)CCNC(=O)c1ccsc1)c1nc2ccc(C)cc2s1 ZINC000025013906 568714378 /nfs/dbraw/zinc/71/43/78/568714378.db2.gz CRQISLHADVXKSB-UHFFFAOYSA-N 0 0 401.557 4.619 50 0 HJAARN CCc1cccc2c([C@@H](CC(=O)N3CCN(CC)CC3)c3ccccc3F)c[nH]c21 ZINC000096275907 568714783 /nfs/dbraw/zinc/71/47/83/568714783.db2.gz RDRAPWKEYCNCCR-NRFANRHFSA-N 0 0 407.533 4.556 50 0 HJAARN CC(C)CNC(=O)C[C@H](c1c[nH]c2ccc(Cl)cc21)c1ccc2c(c1)OCCO2 ZINC000096276343 568715067 /nfs/dbraw/zinc/71/50/67/568715067.db2.gz LYOATXALRGTNPA-KRWDZBQOSA-N 0 0 412.917 4.887 50 0 HJAARN COCCNC(=O)c1cc2cc(NC(=O)c3ccc(C)cc3)ccc2n1CCC(C)C ZINC000096278606 568716960 /nfs/dbraw/zinc/71/69/60/568716960.db2.gz AJHNPPIQYWNLNU-UHFFFAOYSA-N 0 0 421.541 4.624 50 0 HJAARN Cc1oc(-c2cccs2)nc1Cn1nnc(C(=O)Nc2cc(C)cc(C)c2)c1C ZINC000012414902 568717444 /nfs/dbraw/zinc/71/74/44/568717444.db2.gz HUBIJWMIZKLRFP-UHFFFAOYSA-N 0 0 407.499 4.529 50 0 HJAARN O=C(CSc1ccccc1)Nc1nnc(SCc2ccc(F)cc2F)s1 ZINC000096280162 568717814 /nfs/dbraw/zinc/71/78/14/568717814.db2.gz FBWJFTRBWFVFCD-UHFFFAOYSA-N 0 0 409.508 4.839 50 0 HJAARN CCOc1ccc(CN(Cc2nc(C(=O)N[C@@H](C)CC)co2)[C@@H](C)C(C)C)cc1 ZINC000096280026 568717839 /nfs/dbraw/zinc/71/78/39/568717839.db2.gz YPFOFADEDULNQX-ROUUACIJSA-N 0 0 401.551 4.648 50 0 HJAARN CCNC(=O)Nc1cccc(N2CCCN(Cc3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000096281732 568719046 /nfs/dbraw/zinc/71/90/46/568719046.db2.gz CIMSNNLDNZVWQI-UHFFFAOYSA-N 0 0 421.328 4.967 50 0 HJAARN COc1ccccc1-n1c(SCc2ccccc2C(=O)NC2CC2)nnc1C(C)C ZINC000096286999 568719217 /nfs/dbraw/zinc/71/92/17/568719217.db2.gz RKSCATQSMPZRHS-UHFFFAOYSA-N 0 0 422.554 4.584 50 0 HJAARN COC(=O)c1cccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2F)c1 ZINC000096287016 568719233 /nfs/dbraw/zinc/71/92/33/568719233.db2.gz ZUXWLUKRKMDXLH-UHFFFAOYSA-N 0 0 420.469 4.547 50 0 HJAARN O=C(Cc1ccc(F)cc1)N(CCc1nc(-c2ccccc2)no1)Cc1ccccc1 ZINC000096289287 568719600 /nfs/dbraw/zinc/71/96/00/568719600.db2.gz ZPTNWVJNDBBMEA-UHFFFAOYSA-N 0 0 415.468 4.690 50 0 HJAARN CCn1c(SCc2ccc(C(=O)NCc3ccc(F)cc3)cc2)nnc1C(C)C ZINC000096289364 568719764 /nfs/dbraw/zinc/71/97/64/568719764.db2.gz HLEPZFBBSQGCOY-UHFFFAOYSA-N 0 0 412.534 4.783 50 0 HJAARN CC[C@H](C)NC(=O)c1ccc(CSc2nnc(COC)n2-c2ccc(C)cc2)cc1 ZINC000096290744 568720654 /nfs/dbraw/zinc/72/06/54/568720654.db2.gz CGKFHHBDPPQDGJ-KRWDZBQOSA-N 0 0 424.570 4.543 50 0 HJAARN CCOC(=O)C[C@@H]1CCCCN1C(=O)c1ccc2nc(Cc3ccccc3F)oc2c1 ZINC000012432210 568722282 /nfs/dbraw/zinc/72/22/82/568722282.db2.gz ZYIAHCGFJMUYMD-SFHVURJKSA-N 0 0 424.472 4.506 50 0 HJAARN COc1ccc2nc(-c3ccc(C)c(NC(=O)c4cc(Cl)ccc4OC)c3)cn2n1 ZINC000012441228 568724176 /nfs/dbraw/zinc/72/41/76/568724176.db2.gz JXNCGUCVXXXJCC-UHFFFAOYSA-N 0 0 422.872 4.628 50 0 HJAARN O=C1OC(c2ccccc2Cl)=N/C1=C/c1sc(N2CCCCC2)nc1Cl ZINC000096310807 568724502 /nfs/dbraw/zinc/72/45/02/568724502.db2.gz RQBNOSZKDDRPGV-JLHYYAGUSA-N 0 0 408.310 4.785 50 0 HJAARN Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 ZINC000012442024 568724554 /nfs/dbraw/zinc/72/45/54/568724554.db2.gz SLECFKUIJDLTKB-OAHLLOKOSA-N 0 0 422.485 4.849 50 0 HJAARN O=C(Cc1csc(SCC(=O)c2ccc(F)cc2)n1)Nc1ccc(F)c(F)c1 ZINC000012444187 568725305 /nfs/dbraw/zinc/72/53/05/568725305.db2.gz JSRSVCMYTLZJNQ-UHFFFAOYSA-N 0 0 422.453 4.717 50 0 HJAARN Cc1ccc(CNC(=O)CSCc2nc3cccnc3n2C2CCCCC2)cc1 ZINC000021635059 568725383 /nfs/dbraw/zinc/72/53/83/568725383.db2.gz SZIDLIRWWWMAFR-UHFFFAOYSA-N 0 0 408.571 4.795 50 0 HJAARN COc1ccc(-c2cc(C(=O)N[C@@H](c3nc(-c4ccccc4)no3)C(C)C)no2)cc1 ZINC000238950421 568727642 /nfs/dbraw/zinc/72/76/42/568727642.db2.gz XZDZPXXIPWHZKJ-HXUWFJFHSA-N 0 0 418.453 4.527 50 0 HJAARN C[C@H]1C[C@H](NC(=O)c2cccc(C(=O)N[C@H]3C[C@@H](C)CC(C)(C)C3)c2)CC(C)(C)C1 ZINC000239305896 568728719 /nfs/dbraw/zinc/72/87/19/568728719.db2.gz GEDYDMDWVRNOIZ-UDKICSLYSA-N 0 0 412.618 5.576 50 0 HJAARN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1)OCc1ccccc1 ZINC000000871679 568730399 /nfs/dbraw/zinc/73/03/99/568730399.db2.gz QSWFNHDSWMFZHJ-QHCPKHFHSA-N 0 0 413.477 4.644 50 0 HJAARN O=C(CC1CCCC1)OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000005784836 568733135 /nfs/dbraw/zinc/73/31/35/568733135.db2.gz LSSUPUBOJNMBHI-IBGZPJMESA-N 0 0 414.889 4.734 50 0 HJAARN CCOc1ccc(CNC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1 ZINC000096323966 568733189 /nfs/dbraw/zinc/73/31/89/568733189.db2.gz AVFRULYHZAONJC-UHFFFAOYSA-N 0 0 415.415 4.800 50 0 HJAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cccc(F)c4)nc3n2)cc1 ZINC000021660516 568735628 /nfs/dbraw/zinc/73/56/28/568735628.db2.gz QAWWMADDKZCVEZ-UHFFFAOYSA-N 0 0 415.350 4.510 50 0 HJAARN O=C(Cc1c[nH]c2ccccc12)N[C@H](C(=O)N1CCCc2ccccc21)c1ccccc1 ZINC000096331111 568735808 /nfs/dbraw/zinc/73/58/08/568735808.db2.gz PKELDQBDCROLGN-SANMLTNESA-N 0 0 423.516 4.547 50 0 HJAARN Cn1cccc1CNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 ZINC000096344105 568737324 /nfs/dbraw/zinc/73/73/24/568737324.db2.gz NBWVFGKTTUPCCM-HSZRJFAPSA-N 0 0 419.569 4.526 50 0 HJAARN CN(CCc1noc(-c2cc3cc(Cl)ccc3[nH]2)n1)C(=O)c1cccc(Cl)c1 ZINC000096349864 568738313 /nfs/dbraw/zinc/73/83/13/568738313.db2.gz DSXIBGOBNXSNPA-UHFFFAOYSA-N 0 0 415.280 4.839 50 0 HJAARN Cc1c2cc(C)ccc2[nH]c1-c1nc(CCN(C)C(=O)c2cccc(Cl)c2)no1 ZINC000096349731 568738391 /nfs/dbraw/zinc/73/83/91/568738391.db2.gz RUSNGCLUXRURFI-UHFFFAOYSA-N 0 0 408.889 4.803 50 0 HJAARN Brc1ccccc1-c1nnc(SCc2nnc(-c3ccccc3)o2)o1 ZINC000000892282 568741287 /nfs/dbraw/zinc/74/12/87/568741287.db2.gz ZHTQWFLKZDSUJY-UHFFFAOYSA-N 0 0 415.272 4.841 50 0 HJAARN COc1ccccc1[C@H](CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)OC ZINC000096384762 568741870 /nfs/dbraw/zinc/74/18/70/568741870.db2.gz AFARZGKVFWGDRS-INIZCTEOSA-N 0 0 421.337 4.850 50 0 HJAARN CC(C)n1cc(C2=CCN(C(=O)Nc3ccc4c(c3)OCCO4)CC2)c2cccnc21 ZINC000096386489 568743086 /nfs/dbraw/zinc/74/30/86/568743086.db2.gz GDMWGOPAYVJLRH-UHFFFAOYSA-N 0 0 418.497 4.710 50 0 HJAARN CCOc1ccc(NC(=O)N2CCC(c3cc(-c4cccc(OC)c4)n[nH]3)CC2)cc1 ZINC000096386791 568743582 /nfs/dbraw/zinc/74/35/82/568743582.db2.gz STGGXBUYPQQEFD-UHFFFAOYSA-N 0 0 420.513 4.896 50 0 HJAARN Cc1cc(C)n(Cc2nc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)oc2C)n1 ZINC000096397313 568746137 /nfs/dbraw/zinc/74/61/37/568746137.db2.gz WHWXKVZLRIZMAD-UHFFFAOYSA-N 0 0 404.445 4.903 50 0 HJAARN COc1cccc(S(=O)(=O)Nc2ccc3nc(SCC(C)C)sc3c2)c1 ZINC000096399628 568748135 /nfs/dbraw/zinc/74/81/35/568748135.db2.gz WJGOKEQDGCNDST-UHFFFAOYSA-N 0 0 408.570 4.854 50 0 HJAARN COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cccc(OC)c2OC)c1 ZINC000248256091 568748241 /nfs/dbraw/zinc/74/82/41/568748241.db2.gz SJKKQECZBQOZOQ-BWKNWUBXSA-N 0 0 416.477 4.955 50 0 HJAARN Cc1cccc(C)c1NC(=O)Nc1ccc2nc(S(=O)(=O)CC(C)C)sc2c1 ZINC000096399746 568748991 /nfs/dbraw/zinc/74/89/91/568748991.db2.gz PGDRVDPQPMQNDJ-UHFFFAOYSA-N 0 0 417.556 4.987 50 0 HJAARN O=C(c1nc(-c2ccc(F)cc2)n2c1CCCCC2)N1CCC[C@@H]1c1ccncc1 ZINC000025094392 568749548 /nfs/dbraw/zinc/74/95/48/568749548.db2.gz XZQGFVZAUAAGOG-HXUWFJFHSA-N 0 0 404.489 4.788 50 0 HJAARN O=C(CSc1cccc2cccnc21)OCC(=O)c1ccc(Br)cc1 ZINC000000910457 568750094 /nfs/dbraw/zinc/75/00/94/568750094.db2.gz RNDQMMHEPVDQDP-UHFFFAOYSA-N 0 0 416.296 4.516 50 0 HJAARN CCn1c(S[C@@H](C)C(=O)Nc2cccc3ccccc32)nnc1-c1cccnc1 ZINC000000917232 568750282 /nfs/dbraw/zinc/75/02/82/568750282.db2.gz WKVKXPBYHQJETB-HNNXBMFYSA-N 0 0 403.511 4.633 50 0 HJAARN Cc1ccc(-c2nc(CN3CCC[C@@H](C(=O)Nc4cccc(Cl)c4C)C3)no2)cc1 ZINC000021724835 568751206 /nfs/dbraw/zinc/75/12/06/568751206.db2.gz MKSUSDICLPFCPA-GOSISDBHSA-N 0 0 424.932 4.858 50 0 HJAARN Cc1ccc(-c2nc(CN3CCC[C@H](C(=O)Nc4ccc(Cl)cc4)C3)no2)cc1 ZINC000021724616 568751375 /nfs/dbraw/zinc/75/13/75/568751375.db2.gz ATSAGPSJAZKOTM-KRWDZBQOSA-N 0 0 410.905 4.549 50 0 HJAARN CC(C)Oc1ccccc1[C@H]1CC(=O)Nc2c1cnn2-c1nc2ccccc2s1 ZINC000021725657 568751572 /nfs/dbraw/zinc/75/15/72/568751572.db2.gz GRGKAMKCXIEBNQ-OAHLLOKOSA-N 0 0 404.495 4.743 50 0 HJAARN COc1ccc2cc(C(=O)Nc3ccccc3C(F)(F)F)sc(=O)c2c1OC ZINC000000937200 568751857 /nfs/dbraw/zinc/75/18/57/568751857.db2.gz ZOCUZUBGHKWUJQ-UHFFFAOYSA-N 0 0 409.385 4.550 50 0 HJAARN COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC ZINC000000937750 568752094 /nfs/dbraw/zinc/75/20/94/568752094.db2.gz IPOJLYRUAKXYRE-MRXNPFEDSA-N 0 0 421.449 4.680 50 0 HJAARN COc1ccc(NC(=O)CSc2nnc3scc(-c4ccc(C)cc4)n23)cc1 ZINC000000937503 568752136 /nfs/dbraw/zinc/75/21/36/568752136.db2.gz ZQEVJEXNGQPUNV-UHFFFAOYSA-N 0 0 410.524 4.506 50 0 HJAARN CCOc1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1 ZINC000000938141 568752201 /nfs/dbraw/zinc/75/22/01/568752201.db2.gz QSDBLCMVAFYRDB-UHFFFAOYSA-N 0 0 405.111 4.924 50 0 HJAARN O=C(COc1ccc(Br)cc1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000000940030 568752718 /nfs/dbraw/zinc/75/27/18/568752718.db2.gz DGFUUGHYNAUOAJ-UHFFFAOYSA-N 0 0 421.291 4.653 50 0 HJAARN Cc1nc(Nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)cc(N(C)C)n1 ZINC000021794086 568753448 /nfs/dbraw/zinc/75/34/48/568753448.db2.gz DXIAHYFDBCZARO-UHFFFAOYSA-N 0 0 415.419 4.866 50 0 HJAARN COc1ccccc1-c1coc2cc(OCC(=O)OCc3ccccc3)ccc2c1=O ZINC000000942661 568753554 /nfs/dbraw/zinc/75/35/54/568753554.db2.gz AWCKXWHBJKOQIX-UHFFFAOYSA-N 0 0 416.429 4.591 50 0 biogenic HJAARN CC1CCN(C(=O)COc2ccc3c(c2)occ(-c2ccc(Cl)cc2)c3=O)CC1 ZINC000000943602 568753556 /nfs/dbraw/zinc/75/35/56/568753556.db2.gz UEGGYMUWNSTUBN-UHFFFAOYSA-N 0 0 411.885 4.751 50 0 HJAARN COC(=O)[C@H](C)Oc1ccc2c(c1)occ(Oc1cc(C)c(Cl)c(C)c1)c2=O ZINC000000950716 568757048 /nfs/dbraw/zinc/75/70/48/568757048.db2.gz XMNGKWSYEAYTHY-ZDUSSCGKSA-N 0 0 402.830 4.796 50 0 HJAARN Cc1ccc2nc(NC(=O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)sc2c1 ZINC000000951482 568757231 /nfs/dbraw/zinc/75/72/31/568757231.db2.gz QPABWRMUEMSTOM-UHFFFAOYSA-N 0 0 413.458 4.658 50 0 HJAARN COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000000956340 568757720 /nfs/dbraw/zinc/75/77/20/568757720.db2.gz HZZDRGMFPXZJHZ-GOSISDBHSA-N 0 0 405.281 4.707 50 0 HJAARN CCOc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NCCCOC)cc1 ZINC000021889223 568758967 /nfs/dbraw/zinc/75/89/67/568758967.db2.gz WYECWRIBGSKSRL-DEOSSOPVSA-N 0 0 419.525 4.527 50 0 HJAARN COc1ccc(NCN2C(=O)SC(=Cc3ccc(C(C)=O)cc3)C2=O)cc1Cl ZINC000096562411 568760393 /nfs/dbraw/zinc/76/03/93/568760393.db2.gz ZAUNJOBQEXSVKX-NVMNQCDNSA-N 0 0 416.886 4.657 50 0 HJAARN CCCCCSc1nnc2c(n1)O[C@H](c1ccncc1)N(C(C)=O)c1ccccc1-2 ZINC000096562515 568760463 /nfs/dbraw/zinc/76/04/63/568760463.db2.gz DRGMQTMASDYSDG-OAQYLSRUSA-N 0 0 421.526 4.660 50 0 HJAARN C[C@H]1CCc2c(sc(NC(=O)/C=C/c3c(Cl)cccc3Cl)c2C(N)=O)C1 ZINC000000995837 568760801 /nfs/dbraw/zinc/76/08/01/568760801.db2.gz PEAISBLXNAQEKB-JARNTUPDSA-N 0 0 409.338 4.931 50 0 HJAARN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)c(OC)c1OC ZINC000000998341 568760938 /nfs/dbraw/zinc/76/09/38/568760938.db2.gz KVSCJEGLDLJQDQ-JOCHJYFZSA-N 0 0 408.429 4.623 50 0 HJAARN Nc1ccccc1Sc1cnn(Cc2ccccc2)c(=O)c1NCc1ccccc1 ZINC000096576751 568761352 /nfs/dbraw/zinc/76/13/52/568761352.db2.gz OYIVTAIXXPKAEH-UHFFFAOYSA-N 0 0 414.534 4.637 50 0 HJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000021940243 568763133 /nfs/dbraw/zinc/76/31/33/568763133.db2.gz USUVBCWNOUSHPS-UHFFFAOYSA-N 0 0 406.825 4.807 50 0 HJAARN COC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H](c2ccccc2)N(c2ccccc2)[C@@H]1c1ccccc1 ZINC000096593734 568763449 /nfs/dbraw/zinc/76/34/49/568763449.db2.gz XDOUZRIKRGQXKJ-UEQSERJNSA-N 0 0 415.489 4.568 50 0 HJAARN Cc1sc2nc(SCc3nc4ccccc4[nH]3)n(Cc3ccco3)c(=O)c2c1C ZINC000001049786 568764780 /nfs/dbraw/zinc/76/47/80/568764780.db2.gz LBZBKSKOQQMJKF-UHFFFAOYSA-N 0 0 422.535 4.885 50 0 HJAARN O=C(NCc1ccc(F)cc1)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 ZINC000022507703 568769017 /nfs/dbraw/zinc/76/90/17/568769017.db2.gz KXDIRDTYLFAXMN-UHFFFAOYSA-N 0 0 403.457 4.627 50 0 HJAARN COc1ccc(NC(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)cc1 ZINC000022508923 568769177 /nfs/dbraw/zinc/76/91/77/568769177.db2.gz WQSVPAOHEGPGKR-UHFFFAOYSA-N 0 0 411.502 4.747 50 0 HJAARN COc1ccc(C(=O)[C@@H](OC(=O)c2cc3ccccc3oc2=O)c2ccccc2)cc1 ZINC000001099282 568769916 /nfs/dbraw/zinc/76/99/16/568769916.db2.gz HUCNDSLMRGOTPC-QHCPKHFHSA-N 0 0 414.413 4.583 50 0 biogenic HJAARN O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)c1cc2ccccc2[nH]c1=O ZINC000025471644 568770288 /nfs/dbraw/zinc/77/02/88/568770288.db2.gz FCAZJVBNNXTGRR-RVCSHAMNSA-N 0 0 406.485 4.555 50 0 HJAARN [O-]c1c([C@H](c2ccc(F)cc2)[NH+]2CCC(Cc3ccccc3)CC2)sc2ncnn12 ZINC000022609663 568771753 /nfs/dbraw/zinc/77/17/53/568771753.db2.gz VAFGVFGKEJIDLM-FQEVSTJZSA-N 0 0 422.529 4.680 50 0 HJAARN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000001104792 568771861 /nfs/dbraw/zinc/77/18/61/568771861.db2.gz QJRUWXGCNJBBSP-UHFFFAOYSA-N 0 0 423.490 4.939 50 0 HJAARN CCSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Br)cc1 ZINC000002461110 568772562 /nfs/dbraw/zinc/77/25/62/568772562.db2.gz NWLZULOBCXSSHE-UHFFFAOYSA-N 0 0 414.302 4.642 50 0 HJAARN CCCCN(CC)C(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cn(C)c2ccccc12 ZINC000002468707 568772941 /nfs/dbraw/zinc/77/29/41/568772941.db2.gz QOXISISCEZTJGF-BJKOFHAPSA-N 0 0 417.553 4.737 50 0 HJAARN CCOc1ccccc1Oc1coc2cc(OCC(=O)OC(C)(C)C)ccc2c1=O ZINC000001126416 568773085 /nfs/dbraw/zinc/77/30/85/568773085.db2.gz BDKHJIMVSRUWRK-UHFFFAOYSA-N 0 0 412.438 4.705 50 0 biogenic HJAARN CCc1cc2c(cc1OC(=O)c1ccco1)occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000001130704 568773709 /nfs/dbraw/zinc/77/37/09/568773709.db2.gz NKZFKULZHOEHDW-UHFFFAOYSA-N 0 0 418.401 4.606 50 0 biogenic HJAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCCCCC4)cc3N2)cc1 ZINC000002474743 568773808 /nfs/dbraw/zinc/77/38/08/568773808.db2.gz XDYQIEXEQJROFX-FUHWJXTLSA-N 0 0 406.452 4.868 50 0 HJAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(Cc3ccccc3F)CO2)cc1 ZINC000055402550 568774396 /nfs/dbraw/zinc/77/43/96/568774396.db2.gz VWXXUNQLCXBUNZ-UHFFFAOYSA-N 0 0 417.436 4.960 50 0 biogenic HJAARN CCOc1ccc(Oc2ccc(NC(=O)c3ccc(-n4ccnc4)nc3)cc2)cc1 ZINC000025538719 568775312 /nfs/dbraw/zinc/77/53/12/568775312.db2.gz PMESBEZYFIUUID-UHFFFAOYSA-N 0 0 400.438 4.711 50 0 HJAARN O=C(Cc1cccs1)N(Cc1ccco1)C1(C(=O)NC2CCCC2)CCCCC1 ZINC000002494365 568776425 /nfs/dbraw/zinc/77/64/25/568776425.db2.gz UUHRQMIROMBFPS-UHFFFAOYSA-N 0 0 414.571 4.674 50 0 HJAARN Nc1c(-c2ccc(F)cc2)cnn1-c1ccc(Cc2ccc(Cl)cc2Cl)nn1 ZINC000002508498 568778179 /nfs/dbraw/zinc/77/81/79/568778179.db2.gz OYXJLGCAUQIFBZ-UHFFFAOYSA-N 0 0 414.271 4.948 50 0 aggregator HJAARN C[C@H](O)c1ccc(C2(CNC(=O)c3cc(Br)cs3)CCCC2)s1 ZINC000225682757 568778888 /nfs/dbraw/zinc/77/88/88/568778888.db2.gz JCVBBEOCIJMOFG-NSHDSACASA-N 0 0 414.390 4.867 50 0 HJAARN Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)c1ccccc1F ZINC000028228906 568782983 /nfs/dbraw/zinc/78/29/83/568782983.db2.gz HEQWTRMUOLLSCF-UHFFFAOYSA-N 0 0 402.267 4.702 50 0 HJAARN O=C(Nc1ccc2c(c1)NC(=O)CO2)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000028234936 568783359 /nfs/dbraw/zinc/78/33/59/568783359.db2.gz KRXCTHLRTXJDRS-UHFFFAOYSA-N 0 0 414.417 4.595 50 0 HJAARN O=C(NCCCCc1ccccc1)n1c(=O)oc2cc(-c3ccc(F)cc3)ccc21 ZINC000299817120 568783590 /nfs/dbraw/zinc/78/35/90/568783590.db2.gz DPYVAZSLMQCVOG-UHFFFAOYSA-N 0 0 404.441 4.981 50 0 in-vitro HJAARN COc1cc(NC(=O)c2ccccc2SCc2cn3ccccc3n2)cc(OC)c1 ZINC000028273518 568783787 /nfs/dbraw/zinc/78/37/87/568783787.db2.gz WXCDGVFNWCNTHY-UHFFFAOYSA-N 0 0 419.506 4.896 50 0 HJAARN CCN(CC)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000002617301 568785906 /nfs/dbraw/zinc/78/59/06/568785906.db2.gz PASDYZCFKJPIII-AWEZNQCLSA-N 0 0 408.420 4.736 50 0 HJAARN Fc1ccccc1OCCSc1nnc(-c2cccnc2)n1-c1ccccc1F ZINC000002619719 568786881 /nfs/dbraw/zinc/78/68/81/568786881.db2.gz AJLRVTWQUQJYRU-UHFFFAOYSA-N 0 0 410.449 4.779 50 0 HJAARN Cc1cccc(Nc2nnc(S[C@H](C)C(=O)N3CCc4ccccc4C3)s2)c1C ZINC000002622474 568788184 /nfs/dbraw/zinc/78/81/84/568788184.db2.gz BWZDMHLNNOECRK-MRXNPFEDSA-N 0 0 424.595 4.964 50 0 HJAARN CCOc1ccc(OCCSc2n[nH]c(-c3ccccc3Br)n2)cc1 ZINC000002622778 568788268 /nfs/dbraw/zinc/78/82/68/568788268.db2.gz VTKGLUBEHKNJDU-UHFFFAOYSA-N 0 0 420.332 4.804 50 0 HJAARN Cc1cc(C(=O)COC(=O)c2cc3c(s2)CC[C@H](C)C3)c(C)n1Cc1ccco1 ZINC000002624508 568788891 /nfs/dbraw/zinc/78/88/91/568788891.db2.gz UBLCHYCLQUCRIT-AWEZNQCLSA-N 0 0 411.523 4.972 50 0 HJAARN Cc1ccccc1OCCSc1nnc(-c2cccnc2)n1-c1ccccc1F ZINC000002625445 568789106 /nfs/dbraw/zinc/78/91/06/568789106.db2.gz SNACVNMTSBXXTE-UHFFFAOYSA-N 0 0 406.486 4.948 50 0 HJAARN Cc1cc(C)c(C(=O)CSc2n[nH]c(COc3ccc(Cl)cc3)n2)cc1C ZINC000002634043 568791520 /nfs/dbraw/zinc/79/15/20/568791520.db2.gz UFGLTDLQOOTQQK-UHFFFAOYSA-N 0 0 401.919 4.937 50 0 HJAARN Cc1ccc(OCCSc2nnc(-c3cccnc3)n2-c2ccccc2F)cc1 ZINC000002634253 568791758 /nfs/dbraw/zinc/79/17/58/568791758.db2.gz XTNQFRUERXESMA-UHFFFAOYSA-N 0 0 406.486 4.948 50 0 HJAARN Cc1cc(C(F)(F)F)nc2sc(C(=O)Nc3ccc(C(F)(F)F)cn3)c(N)c21 ZINC000215708069 568792832 /nfs/dbraw/zinc/79/28/32/568792832.db2.gz LEFXNRCGKUMRLB-UHFFFAOYSA-N 0 0 420.338 4.872 50 0 HJAARN Cc1ccc(NC(=O)Nc2nn(Cc3ccccc3F)cc2Br)cc1 ZINC000028579571 568793294 /nfs/dbraw/zinc/79/32/94/568793294.db2.gz QGIFOFKVSUIKHY-UHFFFAOYSA-N 0 0 403.255 4.785 50 0 HJAARN C[C@H]1CCC[C@H](C)N1C(=S)SCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000215716189 568793416 /nfs/dbraw/zinc/79/34/16/568793416.db2.gz DZCGZWACRAAWPY-RYUDHWBXSA-N 0 0 406.495 4.805 50 0 HJAARN COc1cc(C(=O)OCc2ccc(C)cc2)cc(NC(=O)c2cccs2)c1OC ZINC000002642259 568793871 /nfs/dbraw/zinc/79/38/71/568793871.db2.gz WDFIJCBTBYALCU-UHFFFAOYSA-N 0 0 411.479 4.683 50 0 HJAARN Cc1ccc(Nc2nc(CSc3nnc(C4CCCCC4)n3N)cs2)cc1 ZINC000002641313 568793895 /nfs/dbraw/zinc/79/38/95/568793895.db2.gz FHHGKONADIJYMV-UHFFFAOYSA-N 0 0 400.577 4.840 50 0 HJAARN Cc1ccc(C)c(C(=O)CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c1 ZINC000002644134 568794473 /nfs/dbraw/zinc/79/44/73/568794473.db2.gz GTMUNTUZTKMBSC-MRXNPFEDSA-N 0 0 413.568 4.777 50 0 HJAARN Cc1ccc(Nc2nnc(SCC(=O)NCCc3ccc(Cl)cc3)s2)cc1 ZINC000002658297 568798351 /nfs/dbraw/zinc/79/83/51/568798351.db2.gz NZVGJEBBXIEDQW-UHFFFAOYSA-N 0 0 418.975 4.695 50 0 HJAARN COC[C@@H](C)n1c(S[C@H](C)C(=O)c2cccc(Cl)c2)nc2ccccc2c1=O ZINC000002665003 568800074 /nfs/dbraw/zinc/80/00/74/568800074.db2.gz QRFPELOWMLTXQO-ZIAGYGMSSA-N 0 0 416.930 4.621 50 0 HJAARN Cc1ccc(-c2cnnn2-c2ccc(C(=O)COC(=O)C=Cc3ccccc3)cc2)cc1 ZINC000002684845 568800837 /nfs/dbraw/zinc/80/08/37/568800837.db2.gz ICVBUGHNMUKFDM-CXUHLZMHSA-N 0 0 423.472 4.682 50 0 HJAARN COc1ccc(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000002693526 568801372 /nfs/dbraw/zinc/80/13/72/568801372.db2.gz DNGLXVBAVNQROP-UHFFFAOYSA-N 0 0 417.486 4.616 50 0 HJAARN C[C@@H](Oc1ccccc1)C(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000002724494 568803566 /nfs/dbraw/zinc/80/35/66/568803566.db2.gz FTEWNFJCYZNZPW-MWTRTKDXSA-N 0 0 420.896 4.678 50 0 HJAARN C[C@H](Oc1ccccc1)C(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccccc1 ZINC000002724491 568803572 /nfs/dbraw/zinc/80/35/72/568803572.db2.gz FTEWNFJCYZNZPW-QMHKHESXSA-N 0 0 420.896 4.678 50 0 HJAARN O=S(=O)(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(Cl)cc1 ZINC000002767206 568807617 /nfs/dbraw/zinc/80/76/17/568807617.db2.gz KJMTZECJAADCPL-UHFFFAOYSA-N 0 0 423.925 4.671 50 0 HJAARN COc1ccc(C(=O)[C@@H](C)Oc2ccc(Br)cc2Br)cc1 ZINC000003441108 568859558 /nfs/dbraw/zinc/85/95/58/568859558.db2.gz FJFAZIUSZUYNNW-SNVBAGLBSA-N 0 0 414.093 4.870 50 0 HJAARN Cc1cc(C(F)(F)F)nn1C[C@H](C)c1nc2c3c4c(sc3ncn2n1)CCCC4 ZINC000002790025 568809205 /nfs/dbraw/zinc/80/92/05/568809205.db2.gz OJTNLWBTOLDFFZ-JTQLQIEISA-N 0 0 420.464 4.545 50 0 HJAARN COc1ccc(OCc2ccc(-c3nc4c5c(C)c(C)sc5ncn4n3)o2)cc1 ZINC000002790946 568809593 /nfs/dbraw/zinc/80/95/93/568809593.db2.gz MEEGMUXLGQZJGY-UHFFFAOYSA-N 0 0 406.467 4.803 50 0 HJAARN Fc1cccc(Cl)c1[C@H]1C[C@@H](c2ccc(Br)cc2)Nc2ncnn21 ZINC000002918593 568816628 /nfs/dbraw/zinc/81/66/28/568816628.db2.gz CUSQKVXTRREOSE-LSDHHAIUSA-N 0 0 407.674 4.979 50 0 HJAARN Cc1ccc2c(c1)C1=Nc3ncnn3[C@H](c3ccccc3)C1[C@@H](c1cccc(F)c1)O2 ZINC000002916811 568816460 /nfs/dbraw/zinc/81/64/60/568816460.db2.gz ADWXJAPAWCDCFI-DNQXCXABSA-N 0 0 410.452 4.938 50 0 HJAARN CCCc1ccc(-c2ccc(OC(=O)c3sc4ncn(C)c(=O)c4c3C)cc2)nc1 ZINC000002919942 568816769 /nfs/dbraw/zinc/81/67/69/568816769.db2.gz RLXCLBDUEHBWRJ-UHFFFAOYSA-N 0 0 419.506 4.537 50 0 HJAARN CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000257347980 568817626 /nfs/dbraw/zinc/81/76/26/568817626.db2.gz AELZDZIWKOZSSW-VYPZBVOESA-N 0 0 418.574 4.709 50 0 HJAARN COc1ccc(Cl)cc1-n1cnc2cc(C(=O)NCc3ccc(F)cc3)ccc21 ZINC000002926177 568817632 /nfs/dbraw/zinc/81/76/32/568817632.db2.gz NAPSJZKLDMYWIK-UHFFFAOYSA-N 0 0 409.848 4.757 50 0 HJAARN CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CC=C4CC5(CC[C@@]4(C)[C@@H]3CC[C@@]21C)OCCO5 ZINC000257355617 568817903 /nfs/dbraw/zinc/81/79/03/568817903.db2.gz BSQMPBUBHHDZDS-KTMWKADFSA-N 0 0 416.558 4.583 50 0 HJAARN CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)Nc2ccc(F)c(F)c2)c1C ZINC000002928824 568817951 /nfs/dbraw/zinc/81/79/51/568817951.db2.gz GWPQBNUMCQKKFJ-UHFFFAOYSA-N 0 0 412.436 4.947 50 0 HJAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]1C(=O)C[C@H]1[C@H]2CC[C@@H]2C[C@H](OC(C)=O)CC[C@@H]21 ZINC000261490489 568819928 /nfs/dbraw/zinc/81/99/28/568819928.db2.gz XPPKGBUAWXKTTC-HDKXVPNESA-N 0 0 418.574 4.565 50 0 HJAARN O=C(Nc1cnn(Cc2ncc(C(F)(F)F)cc2Cl)c1)c1ccc(Cl)cc1 ZINC000263640102 568824220 /nfs/dbraw/zinc/82/42/20/568824220.db2.gz XREPBGLJTPFOCA-UHFFFAOYSA-N 0 0 415.202 4.904 50 0 HJAARN CCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCC2)cc1 ZINC000005825206 568824410 /nfs/dbraw/zinc/82/44/10/568824410.db2.gz YZXOXKVLWKNFRY-LJQANCHMSA-N 0 0 401.532 4.657 50 0 HJAARN COc1cccc(-c2nnc(SCC(=O)c3cccs3)n2Cc2ccco2)c1 ZINC000005877924 568827774 /nfs/dbraw/zinc/82/77/74/568827774.db2.gz KHAULYJVDYJMBK-UHFFFAOYSA-N 0 0 411.508 4.632 50 0 HJAARN O=C(NCc1ccc(COCC(F)(F)F)cc1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000029725831 568828713 /nfs/dbraw/zinc/82/87/13/568828713.db2.gz OIFHRDWRZIUYNC-LSDHHAIUSA-N 0 0 412.374 4.686 50 0 HJAARN C[C@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(F)cc1F ZINC000057363700 568829032 /nfs/dbraw/zinc/82/90/32/568829032.db2.gz FYCXWLRCHZSNLA-HNNXBMFYSA-N 0 0 409.436 4.506 50 0 HJAARN 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568870878 /nfs/dbraw/zinc/87/08/78/568870878.db2.gz XWASWIMYACWLBG-UHFFFAOYSA-N 0 0 408.885 4.771 50 0 HJAARN NC(=O)c1cc(-c2ccccc2)sc1NC(=O)COc1cccc2ccccc21 ZINC000003288817 568872940 /nfs/dbraw/zinc/87/29/40/568872940.db2.gz QSOMXRWZKDYJOZ-UHFFFAOYSA-N 0 0 402.475 4.685 50 0 HJAARN C[C@@H]1CCCN(Cc2csc(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)n2)C1 ZINC000030581010 568873157 /nfs/dbraw/zinc/87/31/57/568873157.db2.gz ZKCIQTZPYGSLNL-MRXNPFEDSA-N 0 0 421.570 4.690 50 0 HJAARN C[C@H]1CCCCN1C(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1 ZINC000003296018 568874923 /nfs/dbraw/zinc/87/49/23/568874923.db2.gz YDTVVPUIRJOOKL-ZDUSSCGKSA-N 0 0 400.525 4.583 50 0 HJAARN Cc1ccc(Nc2nnc(SCC(=O)N3c4ccccc4C[C@@H]3C)s2)c(C)c1 ZINC000003297398 568875558 /nfs/dbraw/zinc/87/55/58/568875558.db2.gz NGGDLAGIJIBDDP-HNNXBMFYSA-N 0 0 410.568 4.968 50 0 HJAARN CCOc1ccccc1NC(=O)[C@@H](Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000003300384 568876402 /nfs/dbraw/zinc/87/64/02/568876402.db2.gz KVGINDCAXJPKTF-QHCPKHFHSA-N 0 0 404.466 4.648 50 0 HJAARN O=C(COC(=O)c1c2c(nc3ccccc31)CCC2)Nc1ccc(Cl)cc1Cl ZINC000003301696 568876831 /nfs/dbraw/zinc/87/68/31/568876831.db2.gz JZZZTIAUMSGBLT-UHFFFAOYSA-N 0 0 415.276 4.826 50 0 HJAARN O=C(Cn1c2ccccc2nc1-c1cscn1)N[C@H]1CCSc2c(F)cccc21 ZINC000012622167 568877381 /nfs/dbraw/zinc/87/73/81/568877381.db2.gz ORIKFNSTGJRJRH-HNNXBMFYSA-N 0 0 424.526 4.652 50 0 HJAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000012622140 568877590 /nfs/dbraw/zinc/87/75/90/568877590.db2.gz MTVIKGYFOHGZNV-GOSISDBHSA-N 0 0 410.518 4.996 50 0 HJAARN CCOCCOC(=O)[C@@H](C)Oc1ccc(Oc2nc(Cl)ccc2Cl)cc1 ZINC000003311692 568878546 /nfs/dbraw/zinc/87/85/46/568878546.db2.gz PCKCITKNINPHLL-GFCCVEGCSA-N 0 0 400.258 4.528 50 0 HJAARN CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000003318921 568879957 /nfs/dbraw/zinc/87/99/57/568879957.db2.gz MLLFCGYYLGTVFU-UHFFFAOYSA-N 0 0 415.489 4.512 50 0 HJAARN CCCCSc1nnc(CNC(=O)c2ccccc2F)n1-c1cccc(Cl)c1 ZINC000004059323 568880900 /nfs/dbraw/zinc/88/09/00/568880900.db2.gz CQISRAMCSUOISF-UHFFFAOYSA-N 0 0 418.925 4.882 50 0 HJAARN Cc1cc(C)n(-c2cnc3c(-c4ccccn4)cnn3c2-c2ccc(Cl)cc2)n1 ZINC000004053872 568880940 /nfs/dbraw/zinc/88/09/40/568880940.db2.gz SXOAWDCLOWWLBS-UHFFFAOYSA-N 0 0 400.873 4.914 50 0 HJAARN O=S(=O)(c1nc(/C=C/c2ccccc2)oc1NCc1ccco1)c1ccccc1 ZINC000004070247 568881876 /nfs/dbraw/zinc/88/18/76/568881876.db2.gz DNEWPNVGWSNACC-BUHFOSPRSA-N 0 0 406.463 4.883 50 0 HJAARN O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCCN(Cc2ccccc2F)C1 ZINC000058060885 568881930 /nfs/dbraw/zinc/88/19/30/568881930.db2.gz DNOFEFSXAMIJNB-UHFFFAOYSA-N 0 0 408.498 4.752 50 0 HJAARN COc1ccc(CCN(C)C(=S)Nc2ccc(SC(F)F)cc2)cc1OC ZINC000003334480 568882520 /nfs/dbraw/zinc/88/25/20/568882520.db2.gz HFWKRXZNQNQNHK-UHFFFAOYSA-N 0 0 412.527 4.890 50 0 HJAARN CN(C(=O)COc1ccc(Cl)cc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000004078428 568882692 /nfs/dbraw/zinc/88/26/92/568882692.db2.gz XEYRGASIBRDPFU-UHFFFAOYSA-N 0 0 417.962 4.701 50 0 HJAARN COc1cc(C(=O)OCc2nccn2C(F)F)ccc1OCc1ccc(Cl)cc1 ZINC000012629488 568883091 /nfs/dbraw/zinc/88/30/91/568883091.db2.gz PFKHJIZRZMZKOS-UHFFFAOYSA-N 0 0 422.815 4.876 50 0 HJAARN O=C(C[C@H](c1cccc2ccccc21)n1cccc1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000263588228 568883464 /nfs/dbraw/zinc/88/34/64/568883464.db2.gz QOWFWBDEKGRBJK-NZJKTDFXSA-N 0 0 402.538 4.774 50 0 HJAARN Clc1ccc(-n2nnnc2SCc2c(-c3ccccc3)nc3ccccn32)cc1 ZINC000012634165 568883642 /nfs/dbraw/zinc/88/36/42/568883642.db2.gz XOADMVLGFMISCX-UHFFFAOYSA-N 0 0 418.913 4.923 50 0 HJAARN O=C(Nc1ccc(OS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1)c1ccccc1 ZINC000025649328 568883649 /nfs/dbraw/zinc/88/36/49/568883649.db2.gz ZRPFINLUFFHIML-UHFFFAOYSA-N 0 0 421.396 4.725 50 0 HJAARN COc1ccc(-c2cc(CNC(=O)c3c(C)onc3-c3ccccc3Cl)no2)cc1 ZINC000012638239 568884068 /nfs/dbraw/zinc/88/40/68/568884068.db2.gz BVIZTPLOGRPDLN-UHFFFAOYSA-N 0 0 423.856 4.897 50 0 HJAARN CCCCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nc2ccccc2c1=O ZINC000003349334 568885121 /nfs/dbraw/zinc/88/51/21/568885121.db2.gz UDSGGGXZZVEQRG-UHFFFAOYSA-N 0 0 415.946 4.889 50 0 HJAARN COc1ccc(-c2noc(CCC(=O)Nc3ccc(Cl)cc3Cl)n2)cc1OC ZINC000015422618 568885705 /nfs/dbraw/zinc/88/57/05/568885705.db2.gz RPJLGGJGVRBIJZ-UHFFFAOYSA-N 0 0 422.268 4.632 50 0 HJAARN Cc1cc(C(=O)COC(=O)c2cccc(OC(F)F)c2)c(C)n1Cc1cccs1 ZINC000003351544 568885816 /nfs/dbraw/zinc/88/58/16/568885816.db2.gz RRROFQVLMGSIIB-UHFFFAOYSA-N 0 0 419.449 4.856 50 0 HJAARN Cc1cc(C)c(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)c(Cl)c1 ZINC000003352199 568885995 /nfs/dbraw/zinc/88/59/95/568885995.db2.gz WIPLVBGRDKMXMR-UHFFFAOYSA-N 0 0 417.896 4.967 50 0 HJAARN CCc1nnc(NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)s1 ZINC000003354179 568886365 /nfs/dbraw/zinc/88/63/65/568886365.db2.gz RHSFOIYNWNZJRX-UHFFFAOYSA-N 0 0 408.483 4.690 50 0 HJAARN C[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)N(C)c1ccccc1 ZINC000003356151 568886690 /nfs/dbraw/zinc/88/66/90/568886690.db2.gz HYLZXTXCNOHLIL-MRXNPFEDSA-N 0 0 404.495 4.671 50 0 HJAARN COc1cc(SC)ccc1C(=O)OCCCC(=O)c1ccc(Br)cc1 ZINC000003360646 568888016 /nfs/dbraw/zinc/88/80/16/568888016.db2.gz JMMQDFWRGSRTDM-UHFFFAOYSA-N 0 0 423.328 5.000 50 0 HJAARN CC(C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 ZINC000003360827 568888204 /nfs/dbraw/zinc/88/82/04/568888204.db2.gz SPWOQTUUMAIPSW-UHFFFAOYSA-N 0 0 408.571 4.849 50 0 HJAARN CCOc1ccccc1NC(=O)[C@H](OC(=O)c1c(F)cccc1F)c1ccccc1 ZINC000003390650 568894452 /nfs/dbraw/zinc/89/44/52/568894452.db2.gz XZROOBYNMFQOMP-OAQYLSRUSA-N 0 0 411.404 4.900 50 0 HJAARN COc1cccc(CC(=O)OCc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)c1 ZINC000003415565 568898828 /nfs/dbraw/zinc/89/88/28/568898828.db2.gz WXRCWECOFRKAMW-DEOSSOPVSA-N 0 0 408.425 4.728 50 0 HJAARN CSc1ccc(-c2nc(O)c3c4ccccc4c(=O)n(Cc4ccccc4)n23)cc1 ZINC000003418908 568899521 /nfs/dbraw/zinc/89/95/21/568899521.db2.gz YRXCLIWCHPKSBW-UHFFFAOYSA-N 0 0 413.502 4.792 50 0 HJAARN CSc1ncccc1C(=O)OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 ZINC000003421987 568900014 /nfs/dbraw/zinc/90/00/14/568900014.db2.gz JLYOESPDWXFFIC-JOCHJYFZSA-N 0 0 411.454 4.907 50 0 HJAARN CN(CC(=O)Nc1ccc(Br)cc1F)Cc1ccc(C(F)(F)F)cc1 ZINC000003433271 568902045 /nfs/dbraw/zinc/90/20/45/568902045.db2.gz VXVCXJCUBIKIOE-UHFFFAOYSA-N 0 0 419.216 4.678 50 0 HJAARN C[C@H](Sc1ncnc2sc3c(c21)CCCC3)C(=O)Nc1ccc(Cl)cn1 ZINC000003442903 568904099 /nfs/dbraw/zinc/90/40/99/568904099.db2.gz ZGSDCTPETVDIGL-JTQLQIEISA-N 0 0 404.948 4.738 50 0 HJAARN CSc1nn(-c2ccc(C(=O)O[C@@H](C)C(=O)c3ccccc3)cc2)c(=S)s1 ZINC000003446417 568904771 /nfs/dbraw/zinc/90/47/71/568904771.db2.gz WHWADCPXNZJGND-LBPRGKRZSA-N 0 0 416.549 4.813 50 0 HJAARN CC[C@@H](NC(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCCCC1)c1cccs1 ZINC000670444748 568906137 /nfs/dbraw/zinc/90/61/37/568906137.db2.gz YNYHLWKXHMOHAD-GOSISDBHSA-N 0 0 405.585 4.621 50 0 HJAARN CC(C)c1ccccc1NC(=O)COc1ncnc2ccc(Br)cc21 ZINC000003456552 568906495 /nfs/dbraw/zinc/90/64/95/568906495.db2.gz ANNVUBCGTYBSQL-UHFFFAOYSA-N 0 0 400.276 4.533 50 0 HJAARN C[C@H](OC(=O)c1c(Cl)ccc(Cl)c1Cl)C(=O)Nc1ccc2c(c1)OCO2 ZINC000003458363 568906702 /nfs/dbraw/zinc/90/67/02/568906702.db2.gz ZLUXNBOBOYZVIX-QMMMGPOBSA-N 0 0 416.644 4.560 50 0 HJAARN O=C(CSc1nnc(COc2ccccc2Cl)o1)c1ccc2c(c1)CCC2 ZINC000012675439 568907408 /nfs/dbraw/zinc/90/74/08/568907408.db2.gz MYOPKLSLKJTZLG-UHFFFAOYSA-N 0 0 400.887 4.766 50 0 HJAARN CC(=O)Nc1ccccc1OCC(=O)c1cc(C)n(CCc2ccc(F)cc2)c1C ZINC000003477441 568908132 /nfs/dbraw/zinc/90/81/32/568908132.db2.gz XARXPGXULKSUJO-UHFFFAOYSA-N 0 0 408.473 4.707 50 0 HJAARN CCOc1cc(Cn2c3ccccc3nc2-c2ccc(O)c(OCC)c2)ccc1O ZINC000001250418 568908877 /nfs/dbraw/zinc/90/88/77/568908877.db2.gz XQDLZTHUOJVLNA-UHFFFAOYSA-N 0 0 404.466 4.960 50 0 HJAARN CCCc1nc2sc3c(ncnc3NC[C@@H]3CCCO3)c2c2c1COC(C)(C)C2 ZINC000001254275 568908973 /nfs/dbraw/zinc/90/89/73/568908973.db2.gz VLFWHRSJRLBRIS-ZDUSSCGKSA-N 0 0 412.559 4.634 50 0 HJAARN COc1ccc(C2=NN(C(C)=O)[C@H](c3cc4ccc(C)cc4nc3Cl)C2)cc1OC ZINC000001261543 568909301 /nfs/dbraw/zinc/90/93/01/568909301.db2.gz YLQFFPNNSPZEEP-FQEVSTJZSA-N 0 0 423.900 4.911 50 0 HJAARN COc1ccccc1Nc1nnc(SCC(=O)Nc2c(C)cccc2C)s1 ZINC000003494608 568909605 /nfs/dbraw/zinc/90/96/05/568909605.db2.gz MSMZNBNRQRUNQN-UHFFFAOYSA-N 0 0 400.529 4.638 50 0 HJAARN Cc1ccc(C(=O)Cc2nn3c(nc(-c4ccccc4)c3-c3ccccc3)[nH]c2=O)cc1 ZINC000001272282 568909814 /nfs/dbraw/zinc/90/98/14/568909814.db2.gz AYZYIXANXUEZHA-UHFFFAOYSA-N 0 0 420.472 4.898 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O ZINC000001281206 568910643 /nfs/dbraw/zinc/91/06/43/568910643.db2.gz RYUJXXGZZDODFB-UHFFFAOYSA-N 0 0 409.898 4.726 50 0 HJAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)o1)N[C@H]1CCCc2ccccc21 ZINC000003519261 568911899 /nfs/dbraw/zinc/91/18/99/568911899.db2.gz BDDMLTLAROQXRE-IBGZPJMESA-N 0 0 404.495 4.504 50 0 HJAARN CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)C(c1ccccc1)c1ccccc1 ZINC000003533682 568913238 /nfs/dbraw/zinc/91/32/38/568913238.db2.gz UOVZVKNAQDKVQN-UHFFFAOYSA-N 0 0 420.940 4.637 50 0 HJAARN CCOc1ccc(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1OCC ZINC000001299639 568913372 /nfs/dbraw/zinc/91/33/72/568913372.db2.gz FCUYOBJRESKODE-APSNUPSMSA-N 0 0 407.800 4.760 50 0 HJAARN O=C(CCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccc2c(c1)CCC2 ZINC000052927717 568913711 /nfs/dbraw/zinc/91/37/11/568913711.db2.gz HBURRIOCYOEXBX-QFIPXVFZSA-N 0 0 419.521 4.663 50 0 HJAARN CC(C)CCOC(=O)[C@@H]1C(=O)Oc2ccc(Br)cc2[C@@H]1c1ccccc1 ZINC000001322384 568914770 /nfs/dbraw/zinc/91/47/70/568914770.db2.gz SIEQNYRGGIAZML-RBUKOAKNSA-N 0 0 417.299 4.706 50 0 biogenic HJAARN O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)c1nc(N2CCCC2)ncc1Cl ZINC000058402853 568916610 /nfs/dbraw/zinc/91/66/10/568916610.db2.gz MHKUUFYADXHHBA-UHFFFAOYSA-N 0 0 417.296 4.574 50 0 HJAARN CCc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCn2nccc2C)cc1 ZINC000012701719 568917458 /nfs/dbraw/zinc/91/74/58/568917458.db2.gz YFCYHOIHCYCVBD-SANMLTNESA-N 0 0 412.537 4.800 50 0 HJAARN CCOc1ccc(NC(=O)c2cccnc2SCC(F)(F)F)cc1OCC ZINC000031182620 568917981 /nfs/dbraw/zinc/91/79/81/568917981.db2.gz SVCYWBAFXWIZRO-UHFFFAOYSA-N 0 0 400.422 4.786 50 0 HJAARN CCN(CC)c1ccc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cn1 ZINC000058438444 568918761 /nfs/dbraw/zinc/91/87/61/568918761.db2.gz GLTVNVQXAYHKNY-UHFFFAOYSA-N 0 0 403.486 4.824 50 0 HJAARN CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2NC(=O)c2cccs2)cc1 ZINC000058439775 568918863 /nfs/dbraw/zinc/91/88/63/568918863.db2.gz FZUKVSYXYGNALY-OAHLLOKOSA-N 0 0 422.506 4.747 50 0 HJAARN C[C@H](Sc1nnc(C(C)(C)C)o1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000059255966 568919780 /nfs/dbraw/zinc/91/97/80/568919780.db2.gz NOUUAUQIMCSFGV-VIFPVBQESA-N 0 0 424.498 4.888 50 0 HJAARN CC(C)COC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000003615839 568920298 /nfs/dbraw/zinc/92/02/98/568920298.db2.gz ONWJODHTHNLRQL-NDENLUEZSA-N 0 0 423.509 4.683 50 0 HJAARN COc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@H]2c2ccccc2)c(OC)c1 ZINC000045942096 568921153 /nfs/dbraw/zinc/92/11/53/568921153.db2.gz WELRWXOTCFVQKE-HSZRJFAPSA-N 0 0 401.462 4.757 50 0 HJAARN COc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2ccccc2F)c(OC)c1 ZINC000045942118 568921174 /nfs/dbraw/zinc/92/11/74/568921174.db2.gz YMQQJZVUMOFYLT-QHCPKHFHSA-N 0 0 419.452 4.896 50 0 HJAARN Fc1ccc(OCc2nc(CSc3nnnn3C3CCCCC3)cs2)cc1 ZINC000012729796 568921317 /nfs/dbraw/zinc/92/13/17/568921317.db2.gz XTQRYCVAYYXMRF-UHFFFAOYSA-N 0 0 405.524 4.645 50 0 HJAARN COc1ccc([C@@H]2[C@H](C(=O)NCCC3=CCCCC3)c3ccccc3C(=O)N2C)cc1 ZINC000003657637 568923170 /nfs/dbraw/zinc/92/31/70/568923170.db2.gz WAYSKBHZYAMQOB-DNQXCXABSA-N 0 0 418.537 4.612 50 0 HJAARN Cc1cc(C(F)(F)F)n(-c2nc(C(=O)Nc3cccc(C(F)(F)F)c3)cs2)n1 ZINC000001390628 568924432 /nfs/dbraw/zinc/92/44/32/568924432.db2.gz NYQPVOLDBFCOME-UHFFFAOYSA-N 0 0 420.338 4.927 50 0 HJAARN Cc1ccc(OCC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c2c1[C@@H](C)CC2=O ZINC000012736722 568925509 /nfs/dbraw/zinc/92/55/09/568925509.db2.gz ZXTZLVCXGVJQEP-KBPBESRZSA-N 0 0 405.416 4.960 50 0 HJAARN CCOc1ccc(-c2nc(CS[C@H](C)C(=O)Nc3cc(C)on3)cs2)cc1 ZINC000031412746 568925762 /nfs/dbraw/zinc/92/57/62/568925762.db2.gz JQSXKUYSVQQHII-CYBMUJFWSA-N 0 0 403.529 4.766 50 0 HJAARN COc1ccc(C)cc1CN(C)[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000012739413 568926677 /nfs/dbraw/zinc/92/66/77/568926677.db2.gz GHYRWDGHHBDJPX-AWEZNQCLSA-N 0 0 409.511 4.755 50 0 HJAARN C[C@@]1(c2ccc3noc(-c4ccc(F)cc4)c3c2)NC(=O)N(c2ccccc2F)N1 ZINC000001401678 568927400 /nfs/dbraw/zinc/92/74/00/568927400.db2.gz NTCAYMOFZYSJNO-JOCHJYFZSA-N 0 0 406.392 4.680 50 0 HJAARN O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)Nc1cccc2ccccc21 ZINC000031661979 568929080 /nfs/dbraw/zinc/92/90/80/568929080.db2.gz SEWUPAQKDBOMKR-QFIPXVFZSA-N 0 0 409.917 4.688 50 0 HJAARN CC(C)c1ccc(C(=O)CSc2ccc(S(=O)(=O)N(C)C)cn2)c(C(C)C)c1 ZINC000031745320 568930023 /nfs/dbraw/zinc/93/00/23/568930023.db2.gz XSESNIVUWUGFFR-UHFFFAOYSA-N 0 0 420.600 4.554 50 0 HJAARN O=C(CSc1nc2ccccc2n1C(F)F)c1ccc(N2CCCC2=O)cc1 ZINC000031782082 568930973 /nfs/dbraw/zinc/93/09/73/568930973.db2.gz AVCDXISXBHMKQK-UHFFFAOYSA-N 0 0 401.438 4.533 50 0 HJAARN CCCCO[C@H]1C[C@H](c2ccc(OCc3ccc(OC)cc3)c(OC)c2)N(C)O1 ZINC000004002174 568932846 /nfs/dbraw/zinc/93/28/46/568932846.db2.gz KHROVKCHSKLFGG-NFBKMPQASA-N 0 0 401.503 4.734 50 0 HJAARN COc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc(OC)c1 ZINC000001416743 568934041 /nfs/dbraw/zinc/93/40/41/568934041.db2.gz SBEMGXPHQUARQN-CAOOACKPSA-N 0 0 407.850 4.733 50 0 HJAARN Cc1nc(-c2ccccc2Cl)sc1C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000084064719 568934442 /nfs/dbraw/zinc/93/44/42/568934442.db2.gz AJVLIMHZMDNDLD-AWEZNQCLSA-N 0 0 414.914 4.684 50 0 HJAARN COC(=O)c1c(NC(=O)c2ccc(Br)s2)sc2c1CCCCC2 ZINC000004194742 568934776 /nfs/dbraw/zinc/93/47/76/568934776.db2.gz SZRIUPRRZWBVFV-UHFFFAOYSA-N 0 0 414.346 4.880 50 0 HJAARN Cc1cc(C(=O)CN2CCO[C@H](c3ccc(Cl)cc3)C2)c(C)n1CC(F)(F)F ZINC000084079588 568936031 /nfs/dbraw/zinc/93/60/31/568936031.db2.gz QVZVMIFINABFCO-IBGZPJMESA-N 0 0 414.855 4.577 50 0 HJAARN COc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3ccccc3)C2)cc1 ZINC000004070916 568937700 /nfs/dbraw/zinc/93/77/00/568937700.db2.gz UJNILVYYMGPEKJ-HSZRJFAPSA-N 0 0 406.507 4.544 50 0 HJAARN Cc1cc(C)c2ccc(NC(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)nc2n1 ZINC000084114828 568938728 /nfs/dbraw/zinc/93/87/28/568938728.db2.gz LPCARCBJYVZXJU-UHFFFAOYSA-N 0 0 420.476 4.747 50 0 HJAARN Cc1ccc(C(=O)Nc2c(C(=O)NCc3ccco3)sc3nc(C)cc(C)c32)cc1 ZINC000001428491 568939458 /nfs/dbraw/zinc/93/94/58/568939458.db2.gz MCBVLHPVOISNHC-UHFFFAOYSA-N 0 0 419.506 4.997 50 0 HJAARN C[C@@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)c1ccccc1 ZINC000004084808 568939882 /nfs/dbraw/zinc/93/98/82/568939882.db2.gz SMBBHPVLMHSHPM-PWBHZWRTSA-N 0 0 421.500 4.515 50 0 biogenic HJAARN COc1ccc2c(c1OC)C(=O)N1C[C@H](c3ccccc3)c3c4ccccc4[nH]c3[C@@H]21 ZINC000004084449 568939887 /nfs/dbraw/zinc/93/98/87/568939887.db2.gz QJGVFTGFUHOFRH-HOYKHHGWSA-N 0 0 410.473 4.876 50 0 biogenic HJAARN O=C(CCN1c2cccc3cccc(c23)S1(=O)=O)Nc1cc(Cl)ccc1Cl ZINC000012750707 568940359 /nfs/dbraw/zinc/94/03/59/568940359.db2.gz KFVBMVITQVYSJA-UHFFFAOYSA-N 0 0 421.305 4.684 50 0 HJAARN COc1ccc2c(c1OC)C(=O)N1C[C@H](c3cccs3)c3c4ccccc4[nH]c3[C@@H]21 ZINC000004086684 568940531 /nfs/dbraw/zinc/94/05/31/568940531.db2.gz MBTYOUHHAPXLTE-IVZQSRNASA-N 0 0 416.502 4.937 50 0 biogenic HJAARN COc1ccc(C)cc1-n1ccc(C(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)n1 ZINC000084147694 568940594 /nfs/dbraw/zinc/94/05/94/568940594.db2.gz OXJAXYXMWSMECP-UHFFFAOYSA-N 0 0 402.454 4.713 50 0 HJAARN C[C@H](Sc1nnc(NC(=O)c2cc3ccccc3oc2=O)s1)c1ccccc1 ZINC000004088057 568941149 /nfs/dbraw/zinc/94/11/49/568941149.db2.gz YXCNTKILRPUHBF-LBPRGKRZSA-N 0 0 409.492 4.750 50 0 HJAARN CCN(Cc1ccco1)C(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C ZINC000032251322 568941165 /nfs/dbraw/zinc/94/11/65/568941165.db2.gz XRLHQMBGTQDNQR-UHFFFAOYSA-N 0 0 406.313 4.980 50 0 HJAARN COCCCNC(=O)CCc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccccc1 ZINC000004089119 568941482 /nfs/dbraw/zinc/94/14/82/568941482.db2.gz LREGAPBCRNYPJK-UHFFFAOYSA-N 0 0 419.477 4.600 50 0 biogenic HJAARN Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCCc3cccc(F)c3)c(C)c21 ZINC000004089619 568941644 /nfs/dbraw/zinc/94/16/44/568941644.db2.gz DHQHIJBKOYUDNE-UHFFFAOYSA-N 0 0 407.441 4.505 50 0 biogenic HJAARN CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000004090573 568942090 /nfs/dbraw/zinc/94/20/90/568942090.db2.gz NNIHJPWRECLGIY-UHFFFAOYSA-N 0 0 410.326 4.859 50 0 HJAARN Cc1ccc(SCCNC(=O)c2ccccc2N(C)C(=O)c2cccs2)cc1 ZINC000012755785 568942958 /nfs/dbraw/zinc/94/29/58/568942958.db2.gz FGBVWGPLBWZFIK-UHFFFAOYSA-N 0 0 410.564 4.855 50 0 HJAARN COc1ccc(C2=NN(C(C)=O)[C@@H](c3cc4ccccc4nc3Cl)C2)cc1OC ZINC000004142164 568946270 /nfs/dbraw/zinc/94/62/70/568946270.db2.gz WUEUKBDRAVAKAA-LJQANCHMSA-N 0 0 409.873 4.603 50 0 HJAARN Cc1ccccc1-n1c(SCC(=O)N2CCCC2)nnc1-c1ccccc1Cl ZINC000004146110 568946429 /nfs/dbraw/zinc/94/64/29/568946429.db2.gz YBDYZKWMFQWRGK-UHFFFAOYSA-N 0 0 412.946 4.611 50 0 HJAARN CC(=O)c1ccc(O[C@@H](C)C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000012762808 568946493 /nfs/dbraw/zinc/94/64/93/568946493.db2.gz LEIFJQIVSBTSQI-WMZOPIPTSA-N 0 0 408.523 4.672 50 0 HJAARN COc1cccc(NC(=O)CN2c3ccccc3S[C@H](c3ccccc3)CC2=O)c1 ZINC000004162769 568947604 /nfs/dbraw/zinc/94/76/04/568947604.db2.gz LTLKEHKEDAKNNT-QFIPXVFZSA-N 0 0 418.518 4.904 50 0 HJAARN Cc1ccc(C(=O)Nc2ccccc2C(=O)OCC(=O)c2cc(C)ccc2C)cc1 ZINC000004178500 568948993 /nfs/dbraw/zinc/94/89/93/568948993.db2.gz ODIDDUCVPGHRAQ-UHFFFAOYSA-N 0 0 401.462 4.904 50 0 HJAARN O=C(c1ccccc1Cl)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000084497976 568949765 /nfs/dbraw/zinc/94/97/65/568949765.db2.gz WFUPEZNMXSEEEL-UHFFFAOYSA-N 0 0 418.246 4.760 50 0 HJAARN O=C(c1cc2sccc2s1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000084497987 568949769 /nfs/dbraw/zinc/94/97/69/568949769.db2.gz QOWZQQNEXXGCLP-UHFFFAOYSA-N 0 0 424.469 4.580 50 0 HJAARN O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N(c1ccccc1F)C1CCCC1 ZINC000084505965 568949949 /nfs/dbraw/zinc/94/99/49/568949949.db2.gz RHBQOCCJADHXBS-UHFFFAOYSA-N 0 0 415.408 4.709 50 0 HJAARN CCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1Nc1ccc2c(c1)OCCO2 ZINC000004192462 568950332 /nfs/dbraw/zinc/95/03/32/568950332.db2.gz YADLCQSDXXLMOT-UHFFFAOYSA-N 0 0 414.845 4.588 50 0 HJAARN CCOC(=O)[C@@](NC(=O)Nc1ccc(F)c(Cl)c1)(c1ccccc1)C(F)(F)F ZINC000004208168 568951737 /nfs/dbraw/zinc/95/17/37/568951737.db2.gz QXTCNYOKLLAOPD-KRWDZBQOSA-N 0 0 418.774 4.622 50 0 HJAARN Cc1ccc(C)c2[nH]c(=O)c(CCNC(=S)Nc3ccc(C(F)(F)F)cc3)cc12 ZINC000004225392 568952684 /nfs/dbraw/zinc/95/26/84/568952684.db2.gz YQAFOALRDNICBU-UHFFFAOYSA-N 0 0 419.472 4.693 50 0 HJAARN C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1 ZINC000004244393 568953388 /nfs/dbraw/zinc/95/33/88/568953388.db2.gz KDMDQOFNNSFQLI-QGZVFWFLSA-N 0 0 424.545 4.626 50 0 HJAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012774482 568953551 /nfs/dbraw/zinc/95/35/51/568953551.db2.gz AODMUENIEFXUSV-LSDHHAIUSA-N 0 0 421.324 4.638 50 0 HJAARN O=C(CSc1nccn1Cc1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000004248746 568953816 /nfs/dbraw/zinc/95/38/16/568953816.db2.gz PTFKTDXJQPKMKV-UHFFFAOYSA-N 0 0 409.408 4.820 50 0 HJAARN COc1cccc(CCC(=O)NCCC(c2ccccc2)c2ccccc2)c1OC ZINC000012776145 568954565 /nfs/dbraw/zinc/95/45/65/568954565.db2.gz LJTNZUFIZGBZFU-UHFFFAOYSA-N 0 0 403.522 4.975 50 0 HJAARN O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)Nc1cc(Cl)ccc1Cl ZINC000012776648 568955161 /nfs/dbraw/zinc/95/51/61/568955161.db2.gz KRLHMTQXZOLESD-UHFFFAOYSA-N 0 0 422.337 4.672 50 0 HJAARN CC(C)(C)OC(=O)COc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1 ZINC000004262886 568955732 /nfs/dbraw/zinc/95/57/32/568955732.db2.gz IOYLLOAKFREHCC-UHFFFAOYSA-N 0 0 409.463 4.790 50 0 HJAARN CCOc1ccc(CN(C)[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1 ZINC000012780846 568957550 /nfs/dbraw/zinc/95/75/50/568957550.db2.gz OBUIMZKEMYIYMS-AWEZNQCLSA-N 0 0 409.511 4.836 50 0 HJAARN O=C(CSc1nc2ccccc2nc1-c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000004275538 568957988 /nfs/dbraw/zinc/95/79/88/568957988.db2.gz YPCKADMIDJEVRT-UHFFFAOYSA-N 0 0 415.474 4.756 50 0 HJAARN CCCc1ccc(-c2ccc(NC(=O)CCc3nc(-c4ncccn4)no3)cc2)cc1 ZINC000084759000 568958443 /nfs/dbraw/zinc/95/84/43/568958443.db2.gz DPEQAXSCHFVCDM-UHFFFAOYSA-N 0 0 413.481 4.717 50 0 HJAARN CN(CC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)C(=O)c1ccco1 ZINC000012783579 568959095 /nfs/dbraw/zinc/95/90/95/568959095.db2.gz IICYPMWZRSYNFK-UHFFFAOYSA-N 0 0 417.490 4.781 50 0 HJAARN Cc1ccc(OCCC(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000007986050 568964707 /nfs/dbraw/zinc/96/47/07/568964707.db2.gz WIGFCJSLKGUQAX-UHFFFAOYSA-N 0 0 415.795 4.618 50 0 HJAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CCNC(=O)Nc1ccccc1 ZINC000007990769 568967053 /nfs/dbraw/zinc/96/70/53/568967053.db2.gz NBGMVWDWZIWYIH-UHFFFAOYSA-N 0 0 411.889 4.770 50 0 HJAARN CCOC(=O)c1c(NC(C)=O)c2c3c(sc2n1Cc1cccc(F)c1)CCCC3 ZINC000015680383 568967253 /nfs/dbraw/zinc/96/72/53/568967253.db2.gz PMUKHFIUFQZYLK-UHFFFAOYSA-N 0 0 414.502 4.904 50 0 HJAARN CCc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000008026025 568969068 /nfs/dbraw/zinc/96/90/68/568969068.db2.gz JAOAMKWVAXMRHD-UHFFFAOYSA-N 0 0 406.960 4.750 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000012793289 568969354 /nfs/dbraw/zinc/96/93/54/568969354.db2.gz XSDXCTJKZQLRSC-UHFFFAOYSA-N 0 0 413.525 4.863 50 0 HJAARN O=C(Nc1ccc(F)c(Cl)c1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000008033302 568969467 /nfs/dbraw/zinc/96/94/67/568969467.db2.gz CADQCMQTFXYHOI-UHFFFAOYSA-N 0 0 404.850 4.532 50 0 HJAARN COc1ccc(NC(=O)c2ccc(NC(=O)c3cccc(-n4cccc4)c3)cc2)cc1 ZINC000008071141 568971304 /nfs/dbraw/zinc/97/13/04/568971304.db2.gz KQYPSGVWNAUYFA-UHFFFAOYSA-N 0 0 411.461 4.991 50 0 HJAARN CCOc1ccc(NC(=O)CN(C)Cc2ccc(C(F)(F)F)cc2)cc1OCC ZINC000008092391 568973384 /nfs/dbraw/zinc/97/33/84/568973384.db2.gz USDLJIOINXJISF-UHFFFAOYSA-N 0 0 410.436 4.573 50 0 HJAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)C1=Cc2cc(Cl)ccc2OC1 ZINC000008129023 568974822 /nfs/dbraw/zinc/97/48/22/568974822.db2.gz XDPWTKWZPYMXND-UHFFFAOYSA-N 0 0 420.900 4.739 50 0 HJAARN Cc1nc(COc2ccc(C(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)cc2)cs1 ZINC000008157029 568978335 /nfs/dbraw/zinc/97/83/35/568978335.db2.gz VAQXSLXGQBXACG-MRXNPFEDSA-N 0 0 418.522 4.707 50 0 HJAARN CN(C(=O)CSc1nnc(C2CC2)n1-c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000008165337 568979557 /nfs/dbraw/zinc/97/95/57/568979557.db2.gz KDVLLRGJPUJFKB-NRFANRHFSA-N 0 0 418.566 4.773 50 0 HJAARN CCCC(=O)Nc1ccc(C(=O)COC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 ZINC000012806272 568979803 /nfs/dbraw/zinc/97/98/03/568979803.db2.gz ITFOUUKULXPZFQ-UHFFFAOYSA-N 0 0 417.889 4.662 50 0 HJAARN CC(=O)c1ccc(NC(=O)Cn2c(-c3nnc(C(C)C)o3)cc3ccccc32)cc1 ZINC000015729630 568980225 /nfs/dbraw/zinc/98/02/25/568980225.db2.gz LKOOZDOYIVUMBV-UHFFFAOYSA-N 0 0 402.454 4.656 50 0 HJAARN Cc1ccc(C(=O)OCc2ccc(Br)cc2)cc1NC(=O)c1ccco1 ZINC000008185592 568980356 /nfs/dbraw/zinc/98/03/56/568980356.db2.gz PZUMNBPBYQYPGP-UHFFFAOYSA-N 0 0 414.255 4.960 50 0 HJAARN Cc1nn(-c2ccc(Cl)cc2)cc1-c1noc(C(=O)NC2CCCCCCC2)n1 ZINC000015729744 568980367 /nfs/dbraw/zinc/98/03/67/568980367.db2.gz YNAHHHQGSQKGHC-UHFFFAOYSA-N 0 0 413.909 4.727 50 0 HJAARN C[C@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N(C)c1ccccc1 ZINC000008186768 568980471 /nfs/dbraw/zinc/98/04/71/568980471.db2.gz AVHOPUZMIJYLLM-INIZCTEOSA-N 0 0 407.539 4.655 50 0 HJAARN O=C(COc1ccccc1Cl)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000008189689 568981040 /nfs/dbraw/zinc/98/10/40/568981040.db2.gz BYSWZDOKPVWMAM-UHFFFAOYSA-N 0 0 415.898 4.785 50 0 HJAARN Clc1snnc1CSc1nnc(Cc2cccs2)n1-c1ccccc1 ZINC000008193087 568981741 /nfs/dbraw/zinc/98/17/41/568981741.db2.gz NWDGDDQHWSKVEY-UHFFFAOYSA-N 0 0 405.961 4.717 50 0 HJAARN CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)NC3CCCCCC3)o2)cc1 ZINC000008193964 568982122 /nfs/dbraw/zinc/98/21/22/568982122.db2.gz UMZAISRYXSOYCQ-MRXNPFEDSA-N 0 0 416.591 4.902 50 0 HJAARN CCC(=O)Nc1ccccc1SCc1cc(=O)n2nc(C(CC)CC)sc2n1 ZINC000015731981 568982307 /nfs/dbraw/zinc/98/23/07/568982307.db2.gz GXAAVQQOWJPNTA-UHFFFAOYSA-N 0 0 416.572 4.695 50 0 HJAARN CCCCOc1ccccc1-c1cc(-c2nc(-c3ccc4c(c3)OCO4)no2)n[nH]1 ZINC000015732375 568982559 /nfs/dbraw/zinc/98/25/59/568982559.db2.gz DEAXNVSZOIWTHO-UHFFFAOYSA-N 0 0 404.426 4.701 50 0 HJAARN 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Cc1nc(C2(NC(=O)CSC3=Nc4ccccc4CS3)CCCCCC2)no1 ZINC000053615306 569031723 /nfs/dbraw/zinc/03/17/23/569031723.db2.gz WYZHIZSDFPTOJE-UHFFFAOYSA-N 0 0 416.572 4.711 50 0 HJAARN COc1ccc(C(C)=O)cc1CN1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000026457229 569031864 /nfs/dbraw/zinc/03/18/64/569031864.db2.gz GMKUNUPOZXFUOD-IBGZPJMESA-N 0 0 421.324 4.808 50 0 HJAARN COc1ccc(CN(C)Cn2nc(Nc3ccccc3F)sc2=S)cc1OC ZINC000016353162 569031967 /nfs/dbraw/zinc/03/19/67/569031967.db2.gz XFLXFPYMKVICNK-UHFFFAOYSA-N 0 0 420.535 4.663 50 0 HJAARN COc1ccccc1CN(C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000026475577 569032112 /nfs/dbraw/zinc/03/21/12/569032112.db2.gz VRQXLJQCENXGBT-LBPRGKRZSA-N 0 0 400.828 4.826 50 0 HJAARN CC[C@@H](C(=O)Nc1cc(Cl)ccc1OC)n1c(C(=O)OC)cc2ccsc21 ZINC000035397125 569034801 /nfs/dbraw/zinc/03/48/01/569034801.db2.gz KXIPCWBBZQYZKA-AWEZNQCLSA-N 0 0 406.891 4.741 50 0 HJAARN CC(C)c1ccc(CNC(=O)[C@H]2CCCN(c3ccc(-c4ccccc4)nn3)C2)cc1 ZINC000035397973 569035067 /nfs/dbraw/zinc/03/50/67/569035067.db2.gz IEKGMQBOQUJJSR-QHCPKHFHSA-N 0 0 414.553 4.800 50 0 HJAARN Cc1ccc(S(=O)(=O)N2CCC3(CC2)Nc2cc(C)ccc2-n2cccc23)c(C)c1 ZINC000035399277 569035337 /nfs/dbraw/zinc/03/53/37/569035337.db2.gz ARIPXLLFLOWDMF-UHFFFAOYSA-N 0 0 421.566 4.508 50 0 biogenic HJAARN O=C(NCCCc1ccccc1)c1nc2ccccc2c(Nc2ccc(F)cc2)n1 ZINC000035430125 569036931 /nfs/dbraw/zinc/03/69/31/569036931.db2.gz KUICMJHEBAVYGN-UHFFFAOYSA-N 0 0 400.457 4.875 50 0 HJAARN CCn1nccc1[C@H]1CCCN1C(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000035476342 569038315 /nfs/dbraw/zinc/03/83/15/569038315.db2.gz JYJHTFPRUFBMOP-OAHLLOKOSA-N 0 0 402.857 4.636 50 0 HJAARN O=C(NCCn1c(-c2ccc(F)cc2)nc2cccnc21)Nc1ccccc1Cl ZINC000035478829 569038520 /nfs/dbraw/zinc/03/85/20/569038520.db2.gz PZBJNMXQXRCFPG-UHFFFAOYSA-N 0 0 409.852 4.713 50 0 HJAARN O=C(NCc1nccnc1-c1cccs1)c1ccc2noc(-c3ccccc3)c2c1 ZINC000575621388 569038987 /nfs/dbraw/zinc/03/89/87/569038987.db2.gz WMEBQNDRXIBKHF-UHFFFAOYSA-N 0 0 412.474 4.943 50 0 HJAARN O=C(c1ccc(F)cc1)N1CCC[C@H](C(=O)N2C[C@@H]3CCCC[C@@]32c2ccccc2)C1 ZINC000229879575 569040749 /nfs/dbraw/zinc/04/07/49/569040749.db2.gz SKBVCKTXIHKMKH-WDZJFXIESA-N 0 0 420.528 4.606 50 0 HJAARN COc1ccc(CNC(=O)c2ccc3cnn(Cc4cccc(Cl)c4)c3c2)cc1 ZINC000035505029 569040842 /nfs/dbraw/zinc/04/08/42/569040842.db2.gz CJQCSOGWWMQJLP-UHFFFAOYSA-N 0 0 405.885 4.677 50 0 HJAARN O=C(NCc1nn(C2CCCC2)c(=O)c2ccccc12)C1(c2cccs2)CCCC1 ZINC000090533418 569040877 /nfs/dbraw/zinc/04/08/77/569040877.db2.gz PETBBFCGQICBAN-UHFFFAOYSA-N 0 0 421.566 4.701 50 0 HJAARN Cc1nc(C)c(C(=O)NCc2sc3nc(-c4ccc(F)cc4)cn3c2C)s1 ZINC000090593739 569041582 /nfs/dbraw/zinc/04/15/82/569041582.db2.gz XINCBHJQJOLZGC-UHFFFAOYSA-N 0 0 400.504 4.514 50 0 HJAARN O=C(c1ccc(-n2cccc2)cc1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC000090607506 569041868 /nfs/dbraw/zinc/04/18/68/569041868.db2.gz BFWDLSVRIYWFHV-UHFFFAOYSA-N 0 0 415.415 4.575 50 0 HJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cnc(Oc2ccccc2F)nc1 ZINC000090607747 569042057 /nfs/dbraw/zinc/04/20/57/569042057.db2.gz ISSPRGCBGDRQNX-UHFFFAOYSA-N 0 0 401.825 4.858 50 0 HJAARN O=C(COc1ccc(Cl)cc1Cl)N1CCC(CSc2ccccn2)CC1 ZINC000090608035 569042232 /nfs/dbraw/zinc/04/22/32/569042232.db2.gz FYMQHCJYAOCYQN-UHFFFAOYSA-N 0 0 411.354 4.798 50 0 HJAARN CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)/C=C/c1ccccc1 ZINC000004082657 569042789 /nfs/dbraw/zinc/04/27/89/569042789.db2.gz IAPQJTWDFSUNMC-PTRSRSAMSA-N 0 0 405.538 4.993 50 0 biogenic HJAARN O=C(NCc1ccc(C(=O)c2cccs2)s1)c1cccc(Br)c1 ZINC000090610582 569042798 /nfs/dbraw/zinc/04/27/98/569042798.db2.gz UOYPFXWWXDUFIJ-UHFFFAOYSA-N 0 0 406.326 4.733 50 0 HJAARN Cc1onc(-c2ccc(Br)cc2)c1C(=O)NCc1ccc(Cl)cc1 ZINC000035536630 569043629 /nfs/dbraw/zinc/04/36/29/569043629.db2.gz XMFNQEZZSBLANC-UHFFFAOYSA-N 0 0 405.679 4.996 50 0 HJAARN COc1ccc(Br)c(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 ZINC000006342024 569043670 /nfs/dbraw/zinc/04/36/70/569043670.db2.gz AYKHBTGTVFHNOV-UHFFFAOYSA-N 0 0 407.264 4.973 50 0 HJAARN CC(=O)Nc1cc(C(=O)Nc2cccc(-c3noc(C4CCCC4)n3)c2)ccc1C ZINC000035539812 569043716 /nfs/dbraw/zinc/04/37/16/569043716.db2.gz PGNJSCRYLITJRP-UHFFFAOYSA-N 0 0 404.470 4.913 50 0 HJAARN CC(C)Cn1c2nnc(SCc3ccc(Cl)cc3)n2c2ccsc2c1=O ZINC000035529116 569044095 /nfs/dbraw/zinc/04/40/95/569044095.db2.gz YABQRSOWXOMBJB-UHFFFAOYSA-N 0 0 404.948 4.707 50 0 HJAARN Cc1ccc(NC(=O)N2CCC(C)(C(=O)NCc3ccc(F)cc3)CC2)c(Cl)c1 ZINC000035530227 569044295 /nfs/dbraw/zinc/04/42/95/569044295.db2.gz XHVDEPSHSSAHJP-UHFFFAOYSA-N 0 0 417.912 4.738 50 0 HJAARN COc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc(F)cc3F)nc21 ZINC000035590008 569045402 /nfs/dbraw/zinc/04/54/02/569045402.db2.gz NPCCNOCPGULVTA-UHFFFAOYSA-N 0 0 411.433 4.825 50 0 HJAARN COc1ccccc1-c1nnc(C2CCN(C(=O)Nc3cccs3)CC2)s1 ZINC000035597024 569045630 /nfs/dbraw/zinc/04/56/30/569045630.db2.gz ZBVJUUJLTIRBDV-UHFFFAOYSA-N 0 0 400.529 4.687 50 0 HJAARN C[C@@H](Sc1ncnc2cc(-c3ccc(F)cc3)sc21)C(=O)NCc1ccco1 ZINC000006364802 569045988 /nfs/dbraw/zinc/04/59/88/569045988.db2.gz MXVLPAHLNUPRMK-GFCCVEGCSA-N 0 0 413.499 4.887 50 0 HJAARN C[C@@H](Sc1nccn1C)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000006369952 569046130 /nfs/dbraw/zinc/04/61/30/569046130.db2.gz RHCJUKFGWCRMBQ-CXAGYDPISA-N 0 0 414.918 4.525 50 0 HJAARN CCCOc1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)OCO3)cc1OCCC ZINC000012982667 569047303 /nfs/dbraw/zinc/04/73/03/569047303.db2.gz RNGYHDOIKFJRRH-UHFFFAOYSA-N 0 0 413.470 4.595 50 0 HJAARN CCCCCC(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(Cl)c1 ZINC000012985592 569047762 /nfs/dbraw/zinc/04/77/62/569047762.db2.gz BZDDHTFPWABTTI-UHFFFAOYSA-N 0 0 422.934 4.515 50 0 HJAARN Cn1c(SCC(=O)c2cccc([C@H]3CC3(Cl)Cl)c2)nnc1-c1ccncc1 ZINC000035670607 569048427 /nfs/dbraw/zinc/04/84/27/569048427.db2.gz OLQOYEMBIGTKQN-OAHLLOKOSA-N 0 0 419.337 4.513 50 0 HJAARN CC(=O)Nc1sc(NC(=O)COc2cc(C)cc(C)c2)nc1-c1ccc(C)cc1 ZINC000035671530 569048478 /nfs/dbraw/zinc/04/84/78/569048478.db2.gz ZRTJRTKXRJCXAP-UHFFFAOYSA-N 0 0 409.511 4.711 50 0 HJAARN O=C(Nc1ccnn1Cc1ccccc1Br)c1ccccc1C(F)(F)F ZINC000012998606 569048903 /nfs/dbraw/zinc/04/89/03/569048903.db2.gz UJKBGNCOEHEMMU-UHFFFAOYSA-N 0 0 424.220 4.965 50 0 HJAARN COc1cccc(-c2csc(-c3cc(NC(=O)c4cccc(C)c4)n(C)n3)n2)c1 ZINC000035683049 569048983 /nfs/dbraw/zinc/04/89/83/569048983.db2.gz UDQRTGJAYCRVKY-UHFFFAOYSA-N 0 0 404.495 4.780 50 0 HJAARN CC(=O)c1ccc(OCC(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)cc1 ZINC000013003324 569049293 /nfs/dbraw/zinc/04/92/93/569049293.db2.gz CPMBBWJTUAMQJG-UHFFFAOYSA-N 0 0 420.534 4.837 50 0 HJAARN COc1cc2c(cc1NC(=O)[C@@H]1CCCN(C(=O)c3ccoc3)C1)oc1ccccc12 ZINC000013006432 569049959 /nfs/dbraw/zinc/04/99/59/569049959.db2.gz TUBFGAAXCFSMLW-OAHLLOKOSA-N 0 0 418.449 4.679 50 0 HJAARN COc1ccccc1-c1nnc(S[C@H](C)C(=O)N2CCCC2)n1C1CCCCC1 ZINC000013010358 569050110 /nfs/dbraw/zinc/05/01/10/569050110.db2.gz BQMVGLSDDMJISO-MRXNPFEDSA-N 0 0 414.575 4.562 50 0 HJAARN O=C(Nc1nc(CN2CCCCCC2)cs1)c1cc(Br)ccc1F ZINC000013012059 569050522 /nfs/dbraw/zinc/05/05/22/569050522.db2.gz VNYDKPZMRRWDPK-UHFFFAOYSA-N 0 0 412.328 4.673 50 0 HJAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)N3CCC[C@H]3Cc3ccccc3)cc2C1=O ZINC000013012725 569050639 /nfs/dbraw/zinc/05/06/39/569050639.db2.gz JRUHMELROFFUNE-NRFANRHFSA-N 0 0 424.500 4.643 50 0 HJAARN O=C1C(Cl)=C(Nc2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000001786185 569052990 /nfs/dbraw/zinc/05/29/90/569052990.db2.gz JRLXLGYNQYCXPS-UHFFFAOYSA-N 0 0 415.198 4.790 50 0 HJAARN Cc1c(SC(F)(F)[C@@](F)(Cl)OC(F)(F)F)c(=O)n(-c2ccccc2)n1C ZINC000001807019 569053484 /nfs/dbraw/zinc/05/34/84/569053484.db2.gz VPSMBDFPVVSFJQ-LBPRGKRZSA-N 0 0 420.762 4.568 50 0 HJAARN CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(C)cc2)cc1 ZINC000239328991 569054199 /nfs/dbraw/zinc/05/41/99/569054199.db2.gz JZMOMDRZFSEOSM-NOZRDPDXSA-N 0 0 418.924 6.289 50 0 HJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000239339223 569054238 /nfs/dbraw/zinc/05/42/38/569054238.db2.gz LWGQZJYYCUEDKM-UBFVSLLYSA-N 0 0 420.468 4.891 50 0 HJAARN C[C@@H](NC(=O)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000239439083 569054422 /nfs/dbraw/zinc/05/44/22/569054422.db2.gz ZJWXXRKVVWUDSC-GZOXUSKESA-N 0 0 400.522 4.600 50 0 HJAARN CN(CC(=O)N1CCC[C@H]1c1cccs1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000241965643 569054968 /nfs/dbraw/zinc/05/49/68/569054968.db2.gz UUSIQWHBTMBJTG-XUZZJYLKSA-N 0 0 408.542 5.272 50 0 HJAARN CCc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4C)[C@H]3C2=O)cc1 ZINC000245310312 569055676 /nfs/dbraw/zinc/05/56/76/569055676.db2.gz IDGCKJXQNAKQSW-WXFUMESZSA-N 0 0 412.489 4.609 50 0 HJAARN COC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)sc2c1CCCC2 ZINC000001904264 569057746 /nfs/dbraw/zinc/05/77/46/569057746.db2.gz DLEMAJDAONJQKM-LBPRGKRZSA-N 0 0 407.919 4.781 50 0 HJAARN CCc1nc(-c2ccccc2NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)n[nH]1 ZINC000089289865 569057889 /nfs/dbraw/zinc/05/78/89/569057889.db2.gz HVIIVFTVPKNMAI-UHFFFAOYSA-N 0 0 417.513 4.805 50 0 HJAARN CCCCCc1ccc(C(=O)N(Cc2ccc(OS(C)(=O)=O)cc2)C(C)C)cc1 ZINC000035770155 569058264 /nfs/dbraw/zinc/05/82/64/569058264.db2.gz JOCIZPLTQUSKBR-UHFFFAOYSA-N 0 0 417.571 4.809 50 0 HJAARN CCn1cc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2O)c(C)n1 ZINC000253534522 569058298 /nfs/dbraw/zinc/05/82/98/569058298.db2.gz KQSUPNWTORYXDA-NZODANRFSA-N 0 0 412.618 4.969 50 0 HJAARN COC(=O)c1c2c(sc1NC(=O)c1cccc(OC)c1)C[C@@H](C(C)(C)C)CC2 ZINC000001918439 569059332 /nfs/dbraw/zinc/05/93/32/569059332.db2.gz PMZCTIWDJMOHTA-AWEZNQCLSA-N 0 0 401.528 4.947 50 0 HJAARN CCn1ccc(C(=O)Nc2sccc2C(=O)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000006490350 569059792 /nfs/dbraw/zinc/05/97/92/569059792.db2.gz AMQIVZVKNIOHHP-UHFFFAOYSA-N 0 0 409.298 4.776 50 0 HJAARN COc1ccc(-c2csc3ncn(CCCc4ccccc4)c(=O)c23)cc1OC ZINC000001945215 569059895 /nfs/dbraw/zinc/05/98/95/569059895.db2.gz HQQQMRAERZOQON-UHFFFAOYSA-N 0 0 406.507 4.775 50 0 HJAARN C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000016591228 569060206 /nfs/dbraw/zinc/06/02/06/569060206.db2.gz UTSWMUVKQRJNRT-FUHWJXTLSA-N 0 0 406.448 4.867 50 0 HJAARN CSCC[C@@H](NC(=O)COc1ccc2ccccc2c1)c1nc2ccccc2[nH]1 ZINC000006506211 569061696 /nfs/dbraw/zinc/06/16/96/569061696.db2.gz KGEMTJZFHFSFCB-OAQYLSRUSA-N 0 0 405.523 4.706 50 0 HJAARN O=C(CN(Cc1ccc(F)c(F)c1)C1CC1)N1CCS[C@H]1c1ccccc1Cl ZINC000035843656 569062429 /nfs/dbraw/zinc/06/24/29/569062429.db2.gz JEIUWERHESRAFA-NRFANRHFSA-N 0 0 422.928 4.857 50 0 HJAARN CCC(=O)N1CCN(c2nc(C3CCCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC000035849022 569062803 /nfs/dbraw/zinc/06/28/03/569062803.db2.gz OJLINVGOLPESQA-UHFFFAOYSA-N 0 0 412.603 4.676 50 0 HJAARN CCc1cccc(NC(=O)[C@H]2CCCN(c3nccnc3Oc3ccc(C)cc3)C2)c1 ZINC000064452378 569062929 /nfs/dbraw/zinc/06/29/29/569062929.db2.gz QKWNYVPRFLUHOY-FQEVSTJZSA-N 0 0 416.525 4.995 50 0 HJAARN CC(C)c1nc2sc3c(c2c(N2CCN(C(=O)C(C)(C)C)CC2)n1)CC[C@@H](C)C3 ZINC000035865730 569063246 /nfs/dbraw/zinc/06/32/46/569063246.db2.gz WGLQEVCHDLKJOQ-OAHLLOKOSA-N 0 0 414.619 4.634 50 0 HJAARN CCCCc1nc2sc3c(c2c(N2CCN(C(=O)CCC)CC2)n1)CC[C@@H](C)C3 ZINC000035866328 569063295 /nfs/dbraw/zinc/06/32/95/569063295.db2.gz SUZRENNSMNATSM-MRXNPFEDSA-N 0 0 414.619 4.607 50 0 HJAARN C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000006531991 569064126 /nfs/dbraw/zinc/06/41/26/569064126.db2.gz XHPWRHFCTNCPAL-IAGOWNOFSA-N 0 0 418.566 4.662 50 0 HJAARN CCOc1ncccc1C(=O)O[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000006537198 569064391 /nfs/dbraw/zinc/06/43/91/569064391.db2.gz MBSWLNRLDJZBOX-OAQYLSRUSA-N 0 0 404.466 4.634 50 0 HJAARN C[C@H]1Oc2ccc(NC(=O)Nc3ccccc3)cc2CN(Cc2ccccc2)C1=O ZINC000035886222 569064622 /nfs/dbraw/zinc/06/46/22/569064622.db2.gz BBIPUZPSAIMRPE-QGZVFWFLSA-N 0 0 401.466 4.640 50 0 HJAARN CC[C@H]1Oc2ccc(NC(=O)CC(C)(C)C)cc2CN(Cc2cccc(OC)c2)C1=O ZINC000035909208 569065680 /nfs/dbraw/zinc/06/56/80/569065680.db2.gz CYUKBBIHOMZMNA-OAQYLSRUSA-N 0 0 424.541 4.770 50 0 HJAARN C[C@H](C1CC1)N(CC(F)(F)F)C(=O)CSc1nnc(Nc2ccccc2)s1 ZINC000006560297 569065762 /nfs/dbraw/zinc/06/57/62/569065762.db2.gz SDMACFISPDSVGL-LLVKDONJSA-N 0 0 416.494 4.563 50 0 HJAARN COc1cccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccccc3F)c2)c1 ZINC000035910117 569065887 /nfs/dbraw/zinc/06/58/87/569065887.db2.gz SEMBPUMTPJMBCC-HSZRJFAPSA-N 0 0 422.481 4.865 50 0 HJAARN COc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)Cc3cccs3)cc2)cc1 ZINC000035910908 569065945 /nfs/dbraw/zinc/06/59/45/569065945.db2.gz VYKHAWZVTNHGQR-JOCHJYFZSA-N 0 0 424.547 4.717 50 0 HJAARN CCOc1cccc2c1cc(C(=O)NCCc1ccccn1)n2Cc1ccccc1C ZINC000035927940 569066452 /nfs/dbraw/zinc/06/64/52/569066452.db2.gz YMLXEZJEZFBONU-UHFFFAOYSA-N 0 0 413.521 4.764 50 0 HJAARN COc1ccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3cccc(F)c3)c2)cc1 ZINC000035927298 569066575 /nfs/dbraw/zinc/06/65/75/569066575.db2.gz DCYFSSSSTBZBGB-QHCPKHFHSA-N 0 0 422.481 4.865 50 0 HJAARN Nc1c2c(nn1Cc1ccccc1)nc(NC1CCCC1)nc2-c1ccc(F)cc1 ZINC000035929939 569066754 /nfs/dbraw/zinc/06/67/54/569066754.db2.gz HJWFYRIWFUUHCO-UHFFFAOYSA-N 0 0 402.477 4.617 50 0 HJAARN O=C(c1ccccc1F)N(Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000035944452 569067050 /nfs/dbraw/zinc/06/70/50/569067050.db2.gz ATQWQFSVBQSLAH-GOSISDBHSA-N 0 0 424.422 4.940 50 0 HJAARN CCn1c(SCC(=O)OC(C)(C)C)nc2cc(-c3ccccc3)sc2c1=O ZINC000064565410 569067060 /nfs/dbraw/zinc/06/70/60/569067060.db2.gz OVCKUWRXLVNIBI-UHFFFAOYSA-N 0 0 402.541 4.579 50 0 HJAARN COc1ccc([C@@H]2OC([C@@H](C)Nc3cccc4ccccc43)=NN2C(C)=O)c(OC)c1 ZINC000064567439 569067345 /nfs/dbraw/zinc/06/73/45/569067345.db2.gz ZFNWFDGVIMFFFI-MYYSRTQBSA-N 0 0 419.481 4.548 50 0 HJAARN O=C(Nc1ccc2c(c1)OCCO2)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000006590645 569068447 /nfs/dbraw/zinc/06/84/47/569068447.db2.gz HUPTUAOUOZPYIO-UHFFFAOYSA-N 0 0 417.490 4.683 50 0 HJAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)CNc3cccc(F)c3)cc2)cc1 ZINC000007971940 569069375 /nfs/dbraw/zinc/06/93/75/569069375.db2.gz MNAOVBUWZIYAQG-UHFFFAOYSA-N 0 0 407.445 4.527 50 0 HJAARN CCNC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C(C)C ZINC000035973112 569069631 /nfs/dbraw/zinc/06/96/31/569069631.db2.gz LVUVAOKQOCHGFD-UHFFFAOYSA-N 0 0 422.529 4.922 50 0 HJAARN Cc1ccc(Cl)cc1-n1ccn2c(SCc3cccc(Cl)c3)nnc2c1=O ZINC000064593787 569069640 /nfs/dbraw/zinc/06/96/40/569069640.db2.gz WVELWEXSFSWCGL-UHFFFAOYSA-N 0 0 417.321 4.788 50 0 HJAARN COCCN(Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1)C(C)=O ZINC000035975437 569069714 /nfs/dbraw/zinc/06/97/14/569069714.db2.gz NLZDTRHMCJHDAZ-UHFFFAOYSA-N 0 0 413.905 4.621 50 0 HJAARN CCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)CC1CC1 ZINC000035978668 569069791 /nfs/dbraw/zinc/06/97/91/569069791.db2.gz ZWWXBKCATRQHKK-UHFFFAOYSA-N 0 0 422.504 4.960 50 0 HJAARN COc1ccc(-c2csc(-n3nccc3C(F)(F)F)n2)cc1Br ZINC000006602836 569070320 /nfs/dbraw/zinc/07/03/20/569070320.db2.gz BLLKWAZTKKUGEM-UHFFFAOYSA-N 0 0 404.211 4.786 50 0 HJAARN O=C(NCc1cccc(F)c1)Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1 ZINC000064611071 569071362 /nfs/dbraw/zinc/07/13/62/569071362.db2.gz XNJFQNOJUCMXPL-UHFFFAOYSA-N 0 0 405.477 4.595 50 0 HJAARN CCCC(=O)NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 ZINC000004806985 569071549 /nfs/dbraw/zinc/07/15/49/569071549.db2.gz UCMHAMKMWPHWIJ-UHFFFAOYSA-N 0 0 400.887 4.727 50 0 HJAARN Cc1ccc(C)c(Sc2ncccc2C(=O)Nc2ccnn2Cc2ccccn2)c1 ZINC000006607325 569071556 /nfs/dbraw/zinc/07/15/56/569071556.db2.gz ZCVCXXSGNUFSIO-UHFFFAOYSA-N 0 0 415.522 4.742 50 0 HJAARN CCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C1CC1 ZINC000035980902 569071957 /nfs/dbraw/zinc/07/19/57/569071957.db2.gz JMQBENUKQCAHNC-UHFFFAOYSA-N 0 0 408.477 4.712 50 0 HJAARN CN(c1ccccc1)c1nc(-c2ccccc2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000035981725 569072023 /nfs/dbraw/zinc/07/20/23/569072023.db2.gz VJNSQWCMYIOXIP-UHFFFAOYSA-N 0 0 412.468 4.981 50 0 HJAARN O=C(NCCCn1ccccc1=O)c1cc(-c2ccccc2)nc2ccc(Cl)cc21 ZINC000426498599 569073177 /nfs/dbraw/zinc/07/31/77/569073177.db2.gz NYNJGOIEQZHQSW-UHFFFAOYSA-N 0 0 417.896 4.537 50 0 HJAARN CC(=O)c1cccc(NC(=O)Cc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)c1 ZINC000006623848 569075331 /nfs/dbraw/zinc/07/53/31/569075331.db2.gz BIGANDDJQWMJGP-UHFFFAOYSA-N 0 0 403.434 4.848 50 0 biogenic HJAARN CCN(Cc1cc(-c2cc(OC)ccc2OC)on1)C(=O)c1ccccc1Cl ZINC000036012167 569075731 /nfs/dbraw/zinc/07/57/31/569075731.db2.gz SJAUGEBBCODBTG-UHFFFAOYSA-N 0 0 400.862 4.675 50 0 HJAARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2ccc(F)cc2)cc1 ZINC000064656752 569076904 /nfs/dbraw/zinc/07/69/04/569076904.db2.gz LQGLLVYRUDTHCE-MRXNPFEDSA-N 0 0 401.484 4.503 50 0 HJAARN O=C1C[C@H](c2cc(Cl)ccc2F)c2scc(S(=O)(=O)c3ccccc3)c2N1 ZINC000064656680 569076942 /nfs/dbraw/zinc/07/69/42/569076942.db2.gz QQOURSUGCHBYDX-CQSZACIVSA-N 0 0 421.902 4.848 50 0 HJAARN CC(C)OC(=O)c1cc2ccsc2n1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000064659092 569077742 /nfs/dbraw/zinc/07/77/42/569077742.db2.gz CEKXNGJLSLKYPU-UHFFFAOYSA-N 0 0 410.417 4.926 50 0 HJAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCc3nc(-c4ccccc4)sc3C2)cc1 ZINC000064660469 569077900 /nfs/dbraw/zinc/07/79/00/569077900.db2.gz XIIMUVKOGFGGHR-UHFFFAOYSA-N 0 0 412.580 4.855 50 0 HJAARN COc1ccc(/C=C/C(=O)N2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccccc2OC)cc1 ZINC000006642427 569078259 /nfs/dbraw/zinc/07/82/59/569078259.db2.gz GRPDIUHLLNROLW-CYEYPOFGSA-N 0 0 421.537 4.612 50 0 biogenic HJAARN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(C(C)C)cc3)c(C)n2C)sc1C ZINC000064668332 569078745 /nfs/dbraw/zinc/07/87/45/569078745.db2.gz ZYNDJRZOXGZFMS-UHFFFAOYSA-N 0 0 403.573 4.998 50 0 HJAARN Cc1ccc(CNC(=O)c2ccc(-c3cnc(Oc4ccc(F)cc4)nc3)cc2)o1 ZINC000064669563 569078862 /nfs/dbraw/zinc/07/88/62/569078862.db2.gz ONMJEYODTQPSEK-UHFFFAOYSA-N 0 0 403.413 4.906 50 0 HJAARN O=C(C[C@@H]1COc2ccc(Cl)cc2N1Cc1ccc(F)cc1)NC1CCCC1 ZINC000064663704 569079709 /nfs/dbraw/zinc/07/97/09/569079709.db2.gz RONHDDQYNFMGSH-LJQANCHMSA-N 0 0 402.897 4.696 50 0 HJAARN Cc1ccc(CNC(=O)C[C@@H]2COc3ccccc3N2Cc2ccc(C)cc2)cc1 ZINC000064663923 569079743 /nfs/dbraw/zinc/07/97/43/569079743.db2.gz XBOWOOIUEAYOOI-HSZRJFAPSA-N 0 0 400.522 4.778 50 0 HJAARN O=C(Nc1cc(Cl)ccc1N1CCCCC1)[C@H]1CCCN1C(=O)c1cccs1 ZINC000006649517 569080139 /nfs/dbraw/zinc/08/01/39/569080139.db2.gz NFFCZPXFXKJZDG-GOSISDBHSA-N 0 0 417.962 4.635 50 0 HJAARN CCc1nc(-c2ccc(C(=O)N3CCN(c4cccc(C)c4C)CC3)cc2)cs1 ZINC000064677435 569081623 /nfs/dbraw/zinc/08/16/23/569081623.db2.gz LGSOGENEJQOHPA-UHFFFAOYSA-N 0 0 405.567 4.952 50 0 HJAARN COc1ccc(CC(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C2CCCCC2)cc1 ZINC000006661273 569085190 /nfs/dbraw/zinc/08/51/90/569085190.db2.gz SPLBJOWMEHCPDC-UHFFFAOYSA-N 0 0 419.525 4.958 50 0 HJAARN Cc1c(C)n(C[C@@H]2CCCO2)c(NC(=O)c2ccco2)c1-c1nc2ccccc2[nH]1 ZINC000006665600 569086105 /nfs/dbraw/zinc/08/61/05/569086105.db2.gz LDHKPJXOSYYCPF-INIZCTEOSA-N 0 0 404.470 4.673 50 0 HJAARN Cc1ccc(CN(Cc2nc(C(=O)NCc3ccco3)co2)Cc2ccccc2)cc1 ZINC000036072216 569086470 /nfs/dbraw/zinc/08/64/70/569086470.db2.gz JZSXXJDFQKGCRK-UHFFFAOYSA-N 0 0 415.493 4.708 50 0 HJAARN CC(C)CNC(=O)c1coc(CN(Cc2ccccc2)Cc2cccc(Cl)c2)n1 ZINC000036072278 569086482 /nfs/dbraw/zinc/08/64/82/569086482.db2.gz DDMSNCNJRFXVGP-UHFFFAOYSA-N 0 0 411.933 4.916 50 0 HJAARN COc1ccccc1NC(=O)[C@]1(c2cccs2)CC(=O)N1c1ccc(Cl)cc1 ZINC000006669841 569086588 /nfs/dbraw/zinc/08/65/88/569086588.db2.gz XBUUYYHHJMAWIZ-OAQYLSRUSA-N 0 0 412.898 4.681 50 0 HJAARN CC[C@H]1CCCCN1S(=O)(=O)c1cccc(-c2nc(-c3ccc(C)cc3)no2)c1 ZINC000064747787 569089084 /nfs/dbraw/zinc/08/90/84/569089084.db2.gz FBIABYDAFPPYTN-IBGZPJMESA-N 0 0 411.527 4.665 50 0 HJAARN CC(C)CS(=O)(=O)c1nc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2s1 ZINC000064747884 569089135 /nfs/dbraw/zinc/08/91/35/569089135.db2.gz SAQJFEZZEITMJP-UHFFFAOYSA-N 0 0 422.959 4.561 50 0 HJAARN CCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C[C@H]1CC(c2ccc(C)cc2)=NO1 ZINC000006694997 569091460 /nfs/dbraw/zinc/09/14/60/569091460.db2.gz CPFGCUZZDNZPBI-LJQANCHMSA-N 0 0 404.432 4.946 50 0 HJAARN CC(C)N(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)C(=O)C1CC1 ZINC000006695241 569091538 /nfs/dbraw/zinc/09/15/38/569091538.db2.gz SHJKODZLVOPIBH-UHFFFAOYSA-N 0 0 413.949 4.805 50 0 HJAARN CCC(=O)N(Cc1ccco1)Cc1cc(NC(=O)c2cccs2)ccc1N(C)C ZINC000006695457 569091620 /nfs/dbraw/zinc/09/16/20/569091620.db2.gz WMKNFUQZSLGNDJ-UHFFFAOYSA-N 0 0 411.527 4.598 50 0 HJAARN COCCCN(Cc1csc(COc2cc(C)cc(C)c2)n1)C(=O)c1ccco1 ZINC000036105359 569092473 /nfs/dbraw/zinc/09/24/73/569092473.db2.gz XSLZSGKTIDNCDS-UHFFFAOYSA-N 0 0 414.527 4.611 50 0 HJAARN COCCN(Cc1csc(COc2cc(C)cc(C)c2)n1)C(=O)c1ccccc1 ZINC000036105227 569092814 /nfs/dbraw/zinc/09/28/14/569092814.db2.gz KRJMTMSBKSEBHF-UHFFFAOYSA-N 0 0 410.539 4.628 50 0 HJAARN COCCCN(Cc1csc(COc2ccc(C)cc2)n1)C(=O)C1CCCC1 ZINC000036114736 569094056 /nfs/dbraw/zinc/09/40/56/569094056.db2.gz XXIZPQZCXJHQPO-UHFFFAOYSA-N 0 0 402.560 4.586 50 0 HJAARN Cc1ccc(NC(=O)c2cnc3scc(-c4ccccc4Cl)n3c2=O)cc1C ZINC000064787989 569094564 /nfs/dbraw/zinc/09/45/64/569094564.db2.gz IXGLUFQAMWUPEH-UHFFFAOYSA-N 0 0 409.898 4.946 50 0 HJAARN Cc1c(C)c(C(=O)NCc2cccnc2)n(Cc2cccc(C(F)(F)F)c2)c1C ZINC000006710447 569095864 /nfs/dbraw/zinc/09/58/64/569095864.db2.gz PSGIKZGKKKUNTQ-UHFFFAOYSA-N 0 0 401.432 4.805 50 0 HJAARN CCCN(Cc1cc(NC(=O)NC(C)(C)C)ccc1N(C)C)C(=O)CC(C)(C)C ZINC000006711658 569096734 /nfs/dbraw/zinc/09/67/34/569096734.db2.gz WUXHRIOIXJDVIB-UHFFFAOYSA-N 0 0 404.599 4.847 50 0 HJAARN Cc1cccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2ccc(C)c(C)c2)c1 ZINC000064799312 569096751 /nfs/dbraw/zinc/09/67/51/569096751.db2.gz WKXHUOXFKVXRFJ-GOSISDBHSA-N 0 0 411.548 4.980 50 0 HJAARN CN(C)c1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)CC(C)(C)C)cc2)cc1 ZINC000006713336 569097192 /nfs/dbraw/zinc/09/71/92/569097192.db2.gz KDYRTKMMUBLKSX-QFIPXVFZSA-N 0 0 411.571 4.906 50 0 HJAARN CC(C)N(Cc1cc(NC(=O)c2cccs2)ccc1N(C)C)C(=O)NC(C)(C)C ZINC000006712719 569097556 /nfs/dbraw/zinc/09/75/56/569097556.db2.gz VAUKEHVYMLBAFK-UHFFFAOYSA-N 0 0 416.591 4.785 50 0 HJAARN CCOC(=O)c1ccc2nc(C(F)(F)F)nc(NCCCc3ccccc3)c2c1 ZINC000006721426 569099172 /nfs/dbraw/zinc/09/91/72/569099172.db2.gz XYVIJBWQUHQQLX-UHFFFAOYSA-N 0 0 403.404 4.870 50 0 HJAARN CC(=O)N(Cc1cccc(F)c1)Cc1cc(NC(=O)C2CCCC2)ccc1N(C)C ZINC000006722951 569099882 /nfs/dbraw/zinc/09/98/82/569099882.db2.gz CUIHIRWDTYHYTB-UHFFFAOYSA-N 0 0 411.521 4.569 50 0 HJAARN CN(C)c1ccc(NC(=O)C2CC2)cc1CN(Cc1ccco1)C(=O)c1cccs1 ZINC000006723069 569099928 /nfs/dbraw/zinc/09/99/28/569099928.db2.gz MRLHHHCRTJYYAK-UHFFFAOYSA-N 0 0 423.538 4.598 50 0 HJAARN Cc1cccc(C(=O)N(Cc2cc(NC(=O)C3CCC3)ccc2N(C)C)C(C)C)c1 ZINC000006723106 569099934 /nfs/dbraw/zinc/09/99/34/569099934.db2.gz INGXMHUAUGWHCQ-UHFFFAOYSA-N 0 0 407.558 4.850 50 0 HJAARN Cc1ccc2c(c1)[C@@]1(SC(C)(C)CN1C(=O)C1CCC1)C(=O)N2Cc1ccccc1 ZINC000036152176 569100232 /nfs/dbraw/zinc/10/02/32/569100232.db2.gz WINYTWVTNLOKLN-RUZDIDTESA-N 0 0 420.578 4.849 50 0 HJAARN CCN1c2ccc(F)cc2[C@]2(SC(C)(C)CN2C(=O)Nc2ccc(F)cc2)C1=O ZINC000036151257 569100577 /nfs/dbraw/zinc/10/05/77/569100577.db2.gz MGNDNHXSESWJDB-NRFANRHFSA-N 0 0 417.481 4.544 50 0 HJAARN CCOc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 ZINC000006725270 569100827 /nfs/dbraw/zinc/10/08/27/569100827.db2.gz QFFPBDKFBFESAN-SFTDATJTSA-N 0 0 406.507 4.696 50 0 HJAARN Cc1cccc(-n2c(=O)c3ccc(C(=O)Nc4ccccc4)cc3nc2N2CCCC2)c1 ZINC000064819428 569101993 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/nfs/dbraw/zinc/15/84/27/569158427.db2.gz LNBDMXSEKXYJNK-UHFFFAOYSA-N 0 0 408.845 4.506 50 0 HJAARN Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CC1 ZINC000006866518 569159193 /nfs/dbraw/zinc/15/91/93/569159193.db2.gz RFVKAVAAXFMIDR-INIZCTEOSA-N 0 0 412.555 4.607 50 0 HJAARN COc1ccc(C2=NO[C@@H](CN(Cc3ccccc3Cl)C(=O)CC(C)C)C2)cc1 ZINC000006873564 569162441 /nfs/dbraw/zinc/16/24/41/569162441.db2.gz QQUHZVYATBXSKD-HXUWFJFHSA-N 0 0 414.933 4.917 50 0 HJAARN O=C(c1cccs1)N(Cc1cccc(F)c1)C[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000006873471 569162480 /nfs/dbraw/zinc/16/24/80/569162480.db2.gz AGDAEUSFIFSPRX-LJQANCHMSA-N 0 0 412.461 4.862 50 0 HJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2C)[C@@H]1c1cccs1 ZINC000006875700 569163186 /nfs/dbraw/zinc/16/31/86/569163186.db2.gz UPAFDZGNCXWNOL-VXKWHMMOSA-N 0 0 420.534 4.622 50 0 HJAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N2CCC(C)CC2)[C@H]1c1cccs1 ZINC000006875760 569163203 /nfs/dbraw/zinc/16/32/03/569163203.db2.gz HUKMFXZLYHHHSR-FCHUYYIVSA-N 0 0 410.583 4.943 50 0 HJAARN COc1ccc(CNC(=O)c2ccc(-c3cnc(Oc4ccccc4)nc3)cc2)cc1 ZINC000065057913 569163463 /nfs/dbraw/zinc/16/34/63/569163463.db2.gz JBYROEGHNJFUEC-UHFFFAOYSA-N 0 0 411.461 4.875 50 0 biogenic HJAARN Cc1ccccc1CNC(=O)[C@@]1(C)CCCN(C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000065058701 569163682 /nfs/dbraw/zinc/16/36/82/569163682.db2.gz KBKRZBZJVZUAFJ-QFIPXVFZSA-N 0 0 417.912 4.738 50 0 HJAARN CCc1ccccc1NC(=O)CN1c2cc(Cl)ccc2Oc2ncccc2C1=O ZINC000006878105 569164994 /nfs/dbraw/zinc/16/49/94/569164994.db2.gz VUMRTKZAJYUIEJ-UHFFFAOYSA-N 0 0 407.857 4.689 50 0 HJAARN O=C(CC1CCCCC1)N[C@@H]1CCCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)C1 ZINC000169770252 569167495 /nfs/dbraw/zinc/16/74/95/569167495.db2.gz ASRRXVCOJUPFCM-LJQANCHMSA-N 0 0 400.954 4.786 50 0 HJAARN O=C(NCc1ccc(F)c(Cl)c1)c1cc2n(n1)C[C@@H](c1ccc(Cl)cc1)OC2 ZINC000169771894 569167850 /nfs/dbraw/zinc/16/78/50/569167850.db2.gz MWYUCCIUVKGTOK-IBGZPJMESA-N 0 0 420.271 4.531 50 0 HJAARN C[C@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1Cl)c1ccc(NC(=O)C2CC2)cc1 ZINC000036393999 569168329 /nfs/dbraw/zinc/16/83/29/569168329.db2.gz DWYUIXANAMYTFD-STQMWFEESA-N 0 0 421.324 4.987 50 0 HJAARN O=C(COC(=O)CSc1ccc(Cl)cc1)Nc1c(Cl)cccc1Cl ZINC000006887205 569170923 /nfs/dbraw/zinc/17/09/23/569170923.db2.gz AHCGTGBYNLSRGX-UHFFFAOYSA-N 0 0 404.702 4.921 50 0 HJAARN Cc1ccc(CNC(=O)c2ncoc2-c2ccccc2C(=O)N2CCCCCC2)cc1 ZINC000065080409 569171407 /nfs/dbraw/zinc/17/14/07/569171407.db2.gz NDHFFTKIBQUBRE-UHFFFAOYSA-N 0 0 417.509 4.596 50 0 HJAARN C[C@H](NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccccc1Cl ZINC000036403488 569172656 /nfs/dbraw/zinc/17/26/56/569172656.db2.gz OQIMFYMOSACETL-JXFKEZNVSA-N 0 0 414.933 4.516 50 0 HJAARN O=C(NCc1cccc(Cl)c1)c1ccc(C[S@@](=O)c2cccc(Cl)c2)o1 ZINC000006895296 569175221 /nfs/dbraw/zinc/17/52/21/569175221.db2.gz IPKXACAHFRLMEI-SANMLTNESA-N 0 0 408.306 4.824 50 0 HJAARN Cc1ccc(CCNC(=O)c2ccc(C[S@@](=O)c3cccc(Cl)c3)o2)cc1 ZINC000006895330 569175269 /nfs/dbraw/zinc/17/52/69/569175269.db2.gz DMPHTEYETFBPML-MHZLTWQESA-N 0 0 401.915 4.522 50 0 HJAARN CCOc1ccc(NC(=O)c2ccc(C[S@@](=O)c3ccc(Cl)cc3)o2)cc1 ZINC000006895546 569175368 /nfs/dbraw/zinc/17/53/68/569175368.db2.gz DPNRBQJNAPVMIM-MHZLTWQESA-N 0 0 403.887 4.892 50 0 HJAARN CCc1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)c2cc3occc3n21 ZINC000006894221 569175598 /nfs/dbraw/zinc/17/55/98/569175598.db2.gz RAPKSNGRRARASF-UHFFFAOYSA-N 0 0 404.854 4.561 50 0 HJAARN Cc1cc2c(cc3c(SCC(=O)Nc4cccc(Cl)c4C)nnc(C)n23)o1 ZINC000006894180 569175612 /nfs/dbraw/zinc/17/56/12/569175612.db2.gz ADEOPIWYDQUJOO-UHFFFAOYSA-N 0 0 400.891 4.785 50 0 HJAARN COC(=O)c1ccccc1NC(=O)c1oc2ccc3c(c2c1C)C(=O)CC(C)(C)O3 ZINC000006894459 569175681 /nfs/dbraw/zinc/17/56/81/569175681.db2.gz KENCVXOLIBHWDA-UHFFFAOYSA-N 0 0 407.422 4.524 50 0 HJAARN O=C(NCCCc1ccccc1)c1ccc(C[S@@](=O)Cc2ccccc2Cl)o1 ZINC000006895840 569175807 /nfs/dbraw/zinc/17/58/07/569175807.db2.gz YOCRORKHSQAFIO-MUUNZHRXSA-N 0 0 415.942 4.745 50 0 HJAARN CCCN(C(=O)Cn1ncc2c3ccccc3n(CCC)c2c1=O)c1ccccc1C ZINC000006900015 569176107 /nfs/dbraw/zinc/17/61/07/569176107.db2.gz ZUPJMTHKGMQNCJ-UHFFFAOYSA-N 0 0 416.525 4.513 50 0 HJAARN CCc1nnc2c(Oc3ccc(NC(=O)c4ccccc4)cc3)nc3ccccc3n12 ZINC000065096388 569176355 /nfs/dbraw/zinc/17/63/55/569176355.db2.gz RUKRBPPPXNZCDS-UHFFFAOYSA-N 0 0 409.449 4.885 50 0 HJAARN O=C(Nc1ccccc1Oc1nc2ccccc2n2cnnc12)c1ccc(Cl)cc1 ZINC000065096526 569176463 /nfs/dbraw/zinc/17/64/63/569176463.db2.gz OOMKVIFQYUDVPZ-UHFFFAOYSA-N 0 0 415.840 4.976 50 0 HJAARN O=S(=O)(NC1CCCCCC1)c1cc(-c2nc(-c3cccc(F)c3)no2)cs1 ZINC000065098038 569176920 /nfs/dbraw/zinc/17/69/20/569176920.db2.gz SMWZEAPCKZCBGE-UHFFFAOYSA-N 0 0 421.519 4.605 50 0 HJAARN CCc1nc(-c2cccc(-c3noc([C@@H]4CC(=O)N(c5ccccc5)C4)n3)c2)cs1 ZINC000065098205 569177065 /nfs/dbraw/zinc/17/70/65/569177065.db2.gz OTCGBOLCBBIIKX-QGZVFWFLSA-N 0 0 416.506 4.943 50 0 HJAARN CCOc1ccc(NC(=O)Cc2ccc(-n3c(CC)nc4cccnc43)cc2)cc1 ZINC000006900895 569177792 /nfs/dbraw/zinc/17/77/92/569177792.db2.gz UVLRNJKPZRVHIB-UHFFFAOYSA-N 0 0 400.482 4.563 50 0 HJAARN COc1ccc(Cn2c3cc(C)ccc3c(C[NH2+]Cc3ccco3)c2C(=O)[O-])cc1 ZINC000006901310 569177922 /nfs/dbraw/zinc/17/79/22/569177922.db2.gz NMDDJJOEMTXRKJ-UHFFFAOYSA-N 0 0 404.466 4.588 50 0 HJAARN Cc1cccc(Sc2nccnc2N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000065102704 569178578 /nfs/dbraw/zinc/17/85/78/569178578.db2.gz BLXFJKVWPMWUEC-UHFFFAOYSA-N 0 0 422.529 4.930 50 0 HJAARN COc1ccc(-c2csc(NC(=O)CSc3ccc(NC(C)=O)cc3)n2)cc1 ZINC000006919783 569181768 /nfs/dbraw/zinc/18/17/68/569181768.db2.gz SZKMZWCMBPSOCE-UHFFFAOYSA-N 0 0 413.524 4.508 50 0 HJAARN CC1CCC(N2C(=O)CN(C3CCCCC3)C(=O)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000006921173 569182522 /nfs/dbraw/zinc/18/25/22/569182522.db2.gz KBLIWRKRIDOYMS-STKUJCBHSA-N 0 0 402.966 4.963 50 0 HJAARN Cc1cc(OCC(=O)Nc2cccc(F)c2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000065134004 569183055 /nfs/dbraw/zinc/18/30/55/569183055.db2.gz KLFJHUIHJCDOHY-UHFFFAOYSA-N 0 0 405.351 4.627 50 0 HJAARN Cc1cc(OCC(=O)Nc2ccc(F)cc2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000065134006 569183060 /nfs/dbraw/zinc/18/30/60/569183060.db2.gz MQBJTFOLJKPPNX-UHFFFAOYSA-N 0 0 405.351 4.627 50 0 HJAARN Cc1ccc(NC(=O)N2CCC[C@H](CCC(=O)NCc3ccc(Cl)cc3)C2)cc1 ZINC000065136200 569183331 /nfs/dbraw/zinc/18/33/31/569183331.db2.gz UJCTUOKZWBLSAI-LJQANCHMSA-N 0 0 413.949 4.989 50 0 HJAARN Cc1ccc(NC(=O)N2CCC[C@H](CCC(=O)NCc3ccc(C)c(C)c3)C2)cc1 ZINC000065136281 569183334 /nfs/dbraw/zinc/18/33/34/569183334.db2.gz ZOAWTBSBCGVUKW-OAQYLSRUSA-N 0 0 407.558 4.952 50 0 HJAARN O=C(CC[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1)NCc1cccc(Cl)c1 ZINC000065136419 569183371 /nfs/dbraw/zinc/18/33/71/569183371.db2.gz RMVMJADWPQJCHG-MRXNPFEDSA-N 0 0 417.912 4.820 50 0 HJAARN Cc1cccc(NC(=O)N2CCC[C@H](CCC(=O)NCc3ccc(C)c(C)c3)C2)c1 ZINC000065136585 569183404 /nfs/dbraw/zinc/18/34/04/569183404.db2.gz TXDDSRAPIZIOLF-OAQYLSRUSA-N 0 0 407.558 4.952 50 0 HJAARN COc1ccc(NS(=O)(=O)c2cc(-c3csc(C)n3)sc2C)cc1Cl ZINC000065138154 569183737 /nfs/dbraw/zinc/18/37/37/569183737.db2.gz LNWMSLDJAYZJMY-UHFFFAOYSA-N 0 0 414.961 4.951 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)c1cnn(-c2ccc(C)cc2)c1-n1cccc1 ZINC000006939696 569185506 /nfs/dbraw/zinc/18/55/06/569185506.db2.gz JYZPYIUSQHGSPK-UHFFFAOYSA-N 0 0 406.873 4.886 50 0 HJAARN Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCc1ccccc1Cl ZINC000006940177 569185570 /nfs/dbraw/zinc/18/55/70/569185570.db2.gz VRLUAANUWGGQTE-UHFFFAOYSA-N 0 0 408.864 4.694 50 0 HJAARN Cc1oc(-c2ccc(C(=O)NC3CCCC3)cc2)nc1C[S@@](=O)c1ccc(C)cc1 ZINC000006941222 569186655 /nfs/dbraw/zinc/18/66/55/569186655.db2.gz WTHCIZGZKOICNG-PMERELPUSA-N 0 0 422.550 4.939 50 0 HJAARN COc1ccc(NC(=O)c2cnc(-c3ccc(F)cc3)nc2-c2ccncc2)cc1 ZINC000065153992 569187761 /nfs/dbraw/zinc/18/77/61/569187761.db2.gz RJGHBTIWIKAEJJ-UHFFFAOYSA-N 0 0 400.413 4.606 50 0 HJAARN O=C(Nc1c(F)cccc1F)N1CCc2nc(-c3ccc(Cl)cc3)ncc2C1 ZINC000065168867 569188979 /nfs/dbraw/zinc/18/89/79/569188979.db2.gz IBROOFPNRBURDE-UHFFFAOYSA-N 0 0 400.816 4.665 50 0 HJAARN O=C(Nc1ccc(F)c(F)c1)c1csc(-c2ccc(N3CCCCC3)nc2)n1 ZINC000065165383 569189528 /nfs/dbraw/zinc/18/95/28/569189528.db2.gz QPQFFEGGLURZID-UHFFFAOYSA-N 0 0 400.454 4.726 50 0 HJAARN O=C(CC1CCCCC1)N1CCC(COc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000065179841 569190584 /nfs/dbraw/zinc/19/05/84/569190584.db2.gz LUUWTUBAGZRWDF-UHFFFAOYSA-N 0 0 412.574 4.510 50 0 HJAARN Cc1ccc(-c2nnc(Cc3nc(-c4cccc(Br)c4)no3)o2)cc1F ZINC000065185424 569191705 /nfs/dbraw/zinc/19/17/05/569191705.db2.gz VUAMXKQIKRBTHS-UHFFFAOYSA-N 0 0 415.222 4.587 50 0 HJAARN Cc1cc(-c2nnc(-c3cccs3)o2)c(C)n1CC(=O)NCc1cccc(C)c1 ZINC000065194851 569192878 /nfs/dbraw/zinc/19/28/78/569192878.db2.gz ZHKVUQUIBIHSLA-UHFFFAOYSA-N 0 0 406.511 4.508 50 0 HJAARN Cc1cc(-c2nnc(-c3ccccc3)o2)c(C)n1CC(=O)Nc1cc(F)ccc1C ZINC000065194891 569192891 /nfs/dbraw/zinc/19/28/91/569192891.db2.gz OSBQXRDASLDWCX-UHFFFAOYSA-N 0 0 404.445 4.908 50 0 HJAARN Cc1cc(-c2nnc(-c3ccc(F)cc3)o2)c(C)n1CC(=O)Nc1ccc(F)cc1 ZINC000065194961 569193883 /nfs/dbraw/zinc/19/38/83/569193883.db2.gz BYXRPDIGAIJOMI-UHFFFAOYSA-N 0 0 408.408 4.739 50 0 HJAARN O=C(NCc1ccc(-c2nc(-c3cccs3)no2)s1)c1c(F)cccc1F ZINC000065196003 569194486 /nfs/dbraw/zinc/19/44/86/569194486.db2.gz PMTHNMSIRKCHRX-UHFFFAOYSA-N 0 0 403.435 4.735 50 0 HJAARN Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1NC(=O)c1nsc2ccccc21 ZINC000008599872 569195932 /nfs/dbraw/zinc/19/59/32/569195932.db2.gz DNZOMEQJGOLYNL-UHFFFAOYSA-N 0 0 419.481 4.926 50 0 aggregator HJAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1cccc(OCc2ccc(F)cc2)c1 ZINC000006988472 569196040 /nfs/dbraw/zinc/19/60/40/569196040.db2.gz JKMPFFAXJUJBEL-UHFFFAOYSA-N 0 0 404.441 4.784 50 0 HJAARN COc1ccc(NC(=O)N2CCc3c2cccc3C(=O)Nc2ccc(C)cc2)cc1 ZINC000065210141 569196075 /nfs/dbraw/zinc/19/60/75/569196075.db2.gz UJIZLMQAIRGESU-UHFFFAOYSA-N 0 0 401.466 4.851 50 0 HJAARN Clc1cccc(-n2c(SCc3nc4ccccc4o3)nnc2N2CCCC2)c1 ZINC000006994755 569197099 /nfs/dbraw/zinc/19/70/99/569197099.db2.gz AFVBEYGICABQEI-UHFFFAOYSA-N 0 0 411.918 4.954 50 0 HJAARN Cc1ccccc1Cn1ccc2ccn(CC(=O)Nc3ccc(F)cc3Cl)c(=O)c21 ZINC000065220340 569198003 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Cc1nc(CC(=O)Nc2cccc(Cl)c2)sc1C(=O)NCc1cccc(C)c1 ZINC000065233030 569202226 /nfs/dbraw/zinc/20/22/26/569202226.db2.gz DRNFPZYTPBCKAE-UHFFFAOYSA-N 0 0 413.930 4.525 50 0 HJAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CS[C@H]2c3ccccc3C(=O)N12 ZINC000036585008 569203109 /nfs/dbraw/zinc/20/31/09/569203109.db2.gz KLDYPXRCRYXCRR-PBHICJAKSA-N 0 0 412.820 4.567 50 0 HJAARN CCn1cc(-c2nc(CC(=O)NCc3ccccc3Cl)cs2)c2cccnc21 ZINC000065240991 569203971 /nfs/dbraw/zinc/20/39/71/569203971.db2.gz JSVBMAIZGLOMND-UHFFFAOYSA-N 0 0 410.930 4.692 50 0 HJAARN COC(=O)c1cc(-c2ccc(OC(F)F)cc2)nc2cc(-c3ccc(F)cc3)nn21 ZINC000036615711 569207029 /nfs/dbraw/zinc/20/70/29/569207029.db2.gz MLEXLGDJXVNABA-UHFFFAOYSA-N 0 0 413.355 4.590 50 0 HJAARN CCc1ccc(NC(=O)c2cc(-c3cccc(OC)c3)nc3c2c(C)nn3C)cc1 ZINC000036616645 569207742 /nfs/dbraw/zinc/20/77/42/569207742.db2.gz PVNURNIXLNDKKL-UHFFFAOYSA-N 0 0 400.482 4.767 50 0 HJAARN Cc1c(-c2nn(-c3ccc(C)c(Cl)c3)c(-c3cnn(C)c3C)c2Cl)cnn1C ZINC000036611624 569208769 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/nfs/dbraw/zinc/27/72/03/569277203.db2.gz JSZNFPDOWWTLAP-UHFFFAOYSA-N 0 0 408.523 4.919 50 0 HJAARN COc1cc(CO)cc(I)c1OCc1cccc2ccccc21 ZINC000001140465 569277453 /nfs/dbraw/zinc/27/74/53/569277453.db2.gz GNYZWZIACWFRGT-UHFFFAOYSA-N 0 0 420.246 4.524 50 0 HJAARN CCCCOCCCNC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O ZINC000002092109 569280599 /nfs/dbraw/zinc/28/05/99/569280599.db2.gz JCXPNUGBZYSBTB-UHFFFAOYSA-N 0 0 413.514 4.720 50 0 biogenic HJAARN CCOC(=O)CCc1c(C)c2ccc(OCc3ccc(F)cc3F)c(C)c2oc1=O ZINC000002093154 569280671 /nfs/dbraw/zinc/28/06/71/569280671.db2.gz KMXVWTOXINASCW-UHFFFAOYSA-N 0 0 416.420 4.763 50 0 biogenic HJAARN Cc1oc2cc3oc(=O)c(CCC(=O)Nc4ccc5c(c4)OCO5)c(C)c3cc2c1C ZINC000002094778 569280842 /nfs/dbraw/zinc/28/08/42/569280842.db2.gz QIUALMCVCAAWAG-UHFFFAOYSA-N 0 0 419.433 4.764 50 0 biogenic HJAARN Cc1ccc(-c2cc(NC(=O)CN(Cc3ccco3)Cc3cccs3)on2)cc1 ZINC000007581040 569282069 /nfs/dbraw/zinc/28/20/69/569282069.db2.gz OWKIAVBFNFHIEP-UHFFFAOYSA-N 0 0 407.495 4.945 50 0 HJAARN CCn1c(SCC(=O)Nc2ccccc2Br)nnc1-c1cccs1 ZINC000002522411 569282845 /nfs/dbraw/zinc/28/28/45/569282845.db2.gz RLGWKYIYHVXSLS-UHFFFAOYSA-N 0 0 423.361 4.520 50 0 HJAARN Cc1csc(N2CCC(C(=O)N[C@H](c3ccc(Cl)cc3)[C@H]3C[C@@H]3C)CC2)n1 ZINC000170640567 569283371 /nfs/dbraw/zinc/28/33/71/569283371.db2.gz YNMZDHBUEWVQLD-FASAQXTFSA-N 0 0 403.979 4.835 50 0 HJAARN CCCOC(=O)c1ccc(N2COc3c(C)c4oc(=O)c5c(c4cc3C2)CCC5)cc1 ZINC000002117962 569284800 /nfs/dbraw/zinc/28/48/00/569284800.db2.gz HGMGELMUUIESKK-UHFFFAOYSA-N 0 0 419.477 4.513 50 0 biogenic HJAARN COc1cc(/C=C/[C@@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)ccc1OC(C)C ZINC000002130532 569287141 /nfs/dbraw/zinc/28/71/41/569287141.db2.gz CZEILJCJDRMSLZ-HEAKDJBOSA-N 0 0 420.553 4.818 50 0 biogenic HJAARN CCCCCCOC(=O)c1ccccc1N[C@H]1OC(=O)c2c1ccc(OC)c2OC ZINC000002134157 569287420 /nfs/dbraw/zinc/28/74/20/569287420.db2.gz JXKLPVGGLYJBTA-NRFANRHFSA-N 0 0 413.470 4.722 50 0 biogenic HJAARN Nc1c2c(nn1Cc1ccccc1)nc(N1CCCC1)nc2-c1ccc(F)c(Cl)c1 ZINC000037376292 569287991 /nfs/dbraw/zinc/28/79/91/569287991.db2.gz QPZAYSFCLRGJPY-UHFFFAOYSA-N 0 0 422.895 4.517 50 0 HJAARN Cc1cccc(-n2c(SCC(=O)NCc3ccccc3)nnc2-c2ccccc2)c1 ZINC000002507719 569288319 /nfs/dbraw/zinc/28/83/19/569288319.db2.gz LKPKPPWBMFKCKK-UHFFFAOYSA-N 0 0 414.534 4.651 50 0 HJAARN CC(C)C[C@@H](NC(=O)C1(c2ccccc2)CCOCC1)c1nc2ccccc2n1C ZINC000252484214 569289031 /nfs/dbraw/zinc/28/90/31/569289031.db2.gz FRWDOQFGIMTMCA-OAQYLSRUSA-N 0 0 405.542 4.525 50 0 HJAARN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N(Cc1ccccc1F)C1CC1 ZINC000027251118 569290230 /nfs/dbraw/zinc/29/02/30/569290230.db2.gz PEVJHEIPKFCHNN-XMMPIXPASA-N 0 0 416.496 4.878 50 0 HJAARN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccccc1)N(c1nccs1)C3=O ZINC000010233027 569291307 /nfs/dbraw/zinc/29/13/07/569291307.db2.gz VPWLOMPJJXECBW-QGZVFWFLSA-N 0 0 408.866 4.961 50 0 HJAARN C[C@H](CC(=O)NC[C@H]1CC(=O)N(C)[C@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000252510602 569291531 /nfs/dbraw/zinc/29/15/31/569291531.db2.gz APFGAKLQYVVNGY-LDJQZATESA-N 0 0 418.459 4.535 50 0 HJAARN O=C(c1cc2ccccc2n1Cc1ccccc1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000252536317 569292854 /nfs/dbraw/zinc/29/28/54/569292854.db2.gz IDTHMDWBUCJNHP-GZGNHOFSSA-N 0 0 402.538 4.845 50 0 HJAARN CCCCOc1ccccc1NC(=O)CCCCCN1C(=O)c2ccccc2C1=O ZINC000002191930 569293775 /nfs/dbraw/zinc/29/37/75/569293775.db2.gz YRQSTAJYRQLRCK-UHFFFAOYSA-N 0 0 408.498 4.661 50 0 HJAARN CCOc1nc(-c2cccc(OC)c2)n(-c2ccc(NC(=O)c3cccs3)cc2)n1 ZINC000037385320 569295231 /nfs/dbraw/zinc/29/52/31/569295231.db2.gz IRCTZLNBPBCBSV-UHFFFAOYSA-N 0 0 420.494 4.655 50 0 HJAARN CCOc1nc(-c2cccs2)n(-c2ccc(NC(=O)c3cccc(OC)c3)cc2)n1 ZINC000037385523 569295290 /nfs/dbraw/zinc/29/52/90/569295290.db2.gz FREGBRYIEUHDCE-UHFFFAOYSA-N 0 0 420.494 4.655 50 0 HJAARN COc1cccc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1 ZINC000007609885 569295342 /nfs/dbraw/zinc/29/53/42/569295342.db2.gz KVDNLPCWVWNROM-OAQYLSRUSA-N 0 0 408.885 4.849 50 0 HJAARN O=C(Nc1c2ccccc2oc1C(=O)c1ccc2c(c1)OCCO2)c1cccs1 ZINC000007616155 569295899 /nfs/dbraw/zinc/29/58/99/569295899.db2.gz RJGCSOZGMIEGDB-UHFFFAOYSA-N 0 0 405.431 4.749 50 0 HJAARN CCCCc1ccc(NC(=O)COc2ncnc3ccc(Br)cc32)cc1 ZINC000007653465 569298988 /nfs/dbraw/zinc/29/89/88/569298988.db2.gz VHMCJBMVZXCOAN-UHFFFAOYSA-N 0 0 414.303 4.752 50 0 HJAARN CN(CC(=O)Nc1ccccc1C(=O)c1ccccc1)Cc1nc2ccccc2s1 ZINC000007689196 569300936 /nfs/dbraw/zinc/30/09/36/569300936.db2.gz MJAKZWSVCWPCFP-UHFFFAOYSA-N 0 0 415.518 4.598 50 0 HJAARN C[C@H]1C(=O)N(c2ccc(F)c(Cl)c2)CCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000037520734 569302950 /nfs/dbraw/zinc/30/29/50/569302950.db2.gz APSNPOXMJIEUHG-JTQLQIEISA-N 0 0 415.679 4.663 50 0 HJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(C3CC3)n2Cc2ccccc2)c1C ZINC000007729435 569303540 /nfs/dbraw/zinc/30/35/40/569303540.db2.gz MCCNGIPWFDWHPI-INIZCTEOSA-N 0 0 422.554 4.715 50 0 HJAARN COc1ccccc1CCNC(=O)c1cc2sccc2n1Cc1cccc(F)c1 ZINC000037525887 569304113 /nfs/dbraw/zinc/30/41/13/569304113.db2.gz HLCWMDPAOOFUKO-UHFFFAOYSA-N 0 0 408.498 4.871 50 0 HJAARN C[C@@H](NC(=O)CSc1nnc(Nc2ccccc2)s1)c1cc2ccccc2o1 ZINC000007733771 569304459 /nfs/dbraw/zinc/30/44/59/569304459.db2.gz FPICJTRXCHDFBT-CYBMUJFWSA-N 0 0 410.524 4.997 50 0 HJAARN CCCCNC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000007738676 569305242 /nfs/dbraw/zinc/30/52/42/569305242.db2.gz DFGZKXIFBNEUSL-UHFFFAOYSA-N 0 0 406.313 4.838 50 0 HJAARN COc1ccc(-n2nc(C)c(CCC(=O)N3CCCC3)c2Oc2ccc(F)cc2)cc1 ZINC000037546870 569305941 /nfs/dbraw/zinc/30/59/41/569305941.db2.gz XOYAUEXLJGVXDP-UHFFFAOYSA-N 0 0 423.488 4.676 50 0 HJAARN COc1ccc(-c2nc3nc4ccccc4nc3n2-c2cc(OC)cc(OC)c2)cc1 ZINC000002210612 569307076 /nfs/dbraw/zinc/30/70/76/569307076.db2.gz OFVDZUGUURELKH-UHFFFAOYSA-N 0 0 412.449 4.662 50 0 HJAARN CCC[C@@H](NC(=O)COc1ccccc1C(=O)Nc1ccccc1)c1ccccc1 ZINC000007777480 569308734 /nfs/dbraw/zinc/30/87/34/569308734.db2.gz MPPYNYYZFKWOLL-JOCHJYFZSA-N 0 0 402.494 4.975 50 0 HJAARN C[C@H](c1ccncc1)n1nccc1NC(=O)c1cccnc1Sc1ccccc1 ZINC000007781594 569309972 /nfs/dbraw/zinc/30/99/72/569309972.db2.gz JTRYWVDAHLDGQF-MRXNPFEDSA-N 0 0 401.495 4.686 50 0 HJAARN Cc1ccc(C(=O)N2CCN(c3cc(Oc4cccc(Cl)c4)ncn3)C[C@H]2C)cc1 ZINC000037623801 569310595 /nfs/dbraw/zinc/31/05/95/569310595.db2.gz SHYFQHSBPURVEL-QGZVFWFLSA-N 0 0 422.916 4.582 50 0 HJAARN COc1cc(OC)cc(C(=O)Nc2nn(CC(C)C)c3nc4ccc(C)cc4cc23)c1 ZINC000002222665 569313274 /nfs/dbraw/zinc/31/32/74/569313274.db2.gz JPRVMXUSQSKLAR-UHFFFAOYSA-N 0 0 418.497 4.818 50 0 HJAARN C[C@@H](NC(=O)CSc1nnc(-c2ccccc2F)o1)c1ccc2c(c1)CCCC2 ZINC000007830605 569313531 /nfs/dbraw/zinc/31/35/31/569313531.db2.gz JYXWPNOWRYOQRR-CQSZACIVSA-N 0 0 411.502 4.724 50 0 HJAARN CCN(C(=O)CSc1nnc(Cc2cccs2)n1C1CC1)C1=CCCCC1 ZINC000007844547 569314196 /nfs/dbraw/zinc/31/41/96/569314196.db2.gz GFQGQDZUENCCBM-UHFFFAOYSA-N 0 0 402.589 4.664 50 0 HJAARN CCOc1ccc(NC(=O)c2c(NCc3ccccc3)nn3c2nc(C)cc3C)cc1 ZINC000066087664 569314288 /nfs/dbraw/zinc/31/42/88/569314288.db2.gz JVGHLQMRAVJEPJ-UHFFFAOYSA-N 0 0 415.497 4.609 50 0 HJAARN CCCCCCNC(=O)c1c(N)n(-c2cccc(C)c2)c2nc3ccccc3nc21 ZINC000002225249 569314817 /nfs/dbraw/zinc/31/48/17/569314817.db2.gz MWTHZNDUYPZQOW-UHFFFAOYSA-N 0 0 401.514 4.774 50 0 HJAARN CC[C@@]1(C)Cc2c(sc3nc(SCC(=O)c4ccc(F)cc4)nc(N)c32)CO1 ZINC000002228769 569317402 /nfs/dbraw/zinc/31/74/02/569317402.db2.gz LYNPVOQNIXQQPJ-FQEVSTJZSA-N 0 0 417.531 4.629 50 0 HJAARN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)c1ccc(Cl)cc1Cl ZINC000002229452 569317627 /nfs/dbraw/zinc/31/76/27/569317627.db2.gz RKRMDCHYPWMYHD-UHFFFAOYSA-N 0 0 416.282 4.579 50 0 HJAARN Fc1cccc(Cl)c1[C@@H]1C=C(c2ccc(Br)cc2)Nc2nnnn21 ZINC000002231530 569319798 /nfs/dbraw/zinc/31/97/98/569319798.db2.gz ZMUUQBLTTAIDES-AWEZNQCLSA-N 0 0 406.646 4.881 50 0 HJAARN O=C(CSc1nnc(C2CC2)n1C1CC1)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000007905770 569320550 /nfs/dbraw/zinc/32/05/50/569320550.db2.gz QJYHAOVJWKICOC-UHFFFAOYSA-N 0 0 418.522 4.718 50 0 HJAARN CSc1nc2nc(C)c(CC(=O)Nc3c(C(C)C)cccc3C(C)C)c(C)n2n1 ZINC000007919103 569322021 /nfs/dbraw/zinc/32/20/21/569322021.db2.gz OSKYJFKIOIZHQH-UHFFFAOYSA-N 0 0 411.575 4.891 50 0 HJAARN COc1ccc2c(c1)c(=O)c(C(=O)c1ccc(Cl)cc1)cn2Cc1ccccc1 ZINC000002688233 569322158 /nfs/dbraw/zinc/32/21/58/569322158.db2.gz OJAOEOJXJOUQIR-UHFFFAOYSA-N 0 0 403.865 4.943 50 0 HJAARN Cc1ccc(CNC(=O)c2c(N)n(-c3cccc(C)c3)c3nc4ccccc4nc32)cc1 ZINC000002247445 569324349 /nfs/dbraw/zinc/32/43/49/569324349.db2.gz CQJOHLATTZGEJE-UHFFFAOYSA-N 0 0 421.504 4.703 50 0 HJAARN Cc1ccc(CNC(=O)c2c(N)n(C3CCCCC3)c3nc4ccccc4nc23)cc1 ZINC000002258178 569324938 /nfs/dbraw/zinc/32/49/38/569324938.db2.gz SBBNJBXKZZYQJV-UHFFFAOYSA-N 0 0 413.525 4.910 50 0 HJAARN Cc1ccc(-c2nn(CCC(=O)Nc3ccc(F)cc3)c(=O)c3ccccc32)cc1 ZINC000002261727 569325383 /nfs/dbraw/zinc/32/53/83/569325383.db2.gz SQDIZIKCKSYMEI-UHFFFAOYSA-N 0 0 401.441 4.540 50 0 HJAARN CC(C)O[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Br)cc1 ZINC000002264036 569325469 /nfs/dbraw/zinc/32/54/69/569325469.db2.gz ZFWMWIUCNBPDOG-HOYKHHGWSA-N 0 0 412.264 4.535 50 0 HJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc(Cl)c3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000002265607 569325736 /nfs/dbraw/zinc/32/57/36/569325736.db2.gz YYRMEMFAUXXGHP-NJDAHSKKSA-N 0 0 422.843 4.530 50 0 HJAARN Cc1cccc(NC(=O)c2c(N)n(CCc3ccccc3)c3nc4ccccc4nc32)c1 ZINC000002256873 569326389 /nfs/dbraw/zinc/32/63/89/569326389.db2.gz BAQNXSLKTQZGPE-UHFFFAOYSA-N 0 0 421.504 4.970 50 0 HJAARN CC(C)CCn1c(N)c(C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3nc21 ZINC000002256430 569326439 /nfs/dbraw/zinc/32/64/39/569326439.db2.gz ULICCDRYLKYGNX-UHFFFAOYSA-N 0 0 421.932 4.796 50 0 HJAARN Cc1nnc(SCc2cccc(C(=O)NCc3ccco3)c2)n1-c1ccccc1C ZINC000054912215 569327224 /nfs/dbraw/zinc/32/72/24/569327224.db2.gz BHCFLGOIPPBVSE-UHFFFAOYSA-N 0 0 418.522 4.699 50 0 HJAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3[C@H](O)C(=O)[C@]21C ZINC000257347507 569363967 /nfs/dbraw/zinc/36/39/67/569363967.db2.gz JUIAJKQHOKYMHP-SHFFIXJFSA-N 0 0 404.591 4.775 50 0 HJAARN CCCCOc1cccc(-n2c(N)c(C(=O)OCC)c3nc4ccccc4nc32)c1 ZINC000002282540 569364277 /nfs/dbraw/zinc/36/42/77/569364277.db2.gz 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COc1ccc(Cc2nnc3sc(/C=C/c4cccc(C(F)(F)F)c4)nn23)cc1 ZINC000008763716 571114763 /nfs/dbraw/zinc/11/47/63/571114763.db2.gz PJMMHXIDDPSTGS-JXMROGBWSA-N 0 0 416.428 4.974 50 0 HJAARN COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2OC)cc1 ZINC000008769047 571116325 /nfs/dbraw/zinc/11/63/25/571116325.db2.gz AIXBZRZVIDMNTE-UHFFFAOYSA-N 0 0 401.418 4.933 50 0 HJAARN Clc1cc(CSc2nnc(Cc3cccs3)n2C2CC2)cc2c1OCCO2 ZINC000008777500 571118179 /nfs/dbraw/zinc/11/81/79/571118179.db2.gz UOSBDLWNNUJXIW-UHFFFAOYSA-N 0 0 419.959 4.982 50 0 HJAARN Cc1ccccc1-n1c(SCc2ccc3c(c2)OCO3)nnc1-c1cccnc1 ZINC000008780111 571118890 /nfs/dbraw/zinc/11/88/90/571118890.db2.gz CWLVFIQYSYAXBC-UHFFFAOYSA-N 0 0 402.479 4.659 50 0 HJAARN COc1cccc(Cc2nc3ccccc3nc2SCC(=O)N2CCCC[C@H]2C)c1 ZINC000008860245 571128292 /nfs/dbraw/zinc/12/82/92/571128292.db2.gz SGPOSNUGUVIYSN-QGZVFWFLSA-N 0 0 421.566 4.722 50 0 HJAARN O=c1nc(CSc2nnc(C3CC3)n2C2CC2)[nH]c2scc(-c3ccccc3)c21 ZINC000008860932 571128426 /nfs/dbraw/zinc/12/84/26/571128426.db2.gz KFHNPNZYRVEICP-UHFFFAOYSA-N 0 0 421.551 4.748 50 0 HJAARN Cc1coc2cc3oc(=O)c(CCC(=O)N[C@@H](C)CCc4ccco4)c(C)c3cc12 ZINC000008879366 571131154 /nfs/dbraw/zinc/13/11/54/571131154.db2.gz RFQQJABGFPEXDT-HNNXBMFYSA-N 0 0 407.466 4.819 50 0 biogenic HJAARN O=C(CCn1cnc2ccccc21)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000039995580 571137004 /nfs/dbraw/zinc/13/70/04/571137004.db2.gz HIDNFSOKJHOMSF-UHFFFAOYSA-N 0 0 421.504 4.596 50 0 HJAARN CCCc1ccc([C@H](NC(=O)c2cnc3ccc(C)cn3c2=O)c2cccs2)cc1 ZINC000040059865 571146936 /nfs/dbraw/zinc/14/69/36/571146936.db2.gz PRDRQHOHNSLRDF-QFIPXVFZSA-N 0 0 417.534 4.536 50 0 HJAARN CCOc1cc(C(=O)N2CC=C(c3ccccc3)CC2)ccc1OCc1ccncc1 ZINC000040068959 571149244 /nfs/dbraw/zinc/14/92/44/571149244.db2.gz JGZBIDYONJDBKX-UHFFFAOYSA-N 0 0 414.505 4.989 50 0 HJAARN O=S(=O)(c1ccccc1)N(Cc1coc(-c2cccc(F)c2)n1)Cc1ccccc1 ZINC000040071576 571152277 /nfs/dbraw/zinc/15/22/77/571152277.db2.gz RDEGEFSNCJJMCC-UHFFFAOYSA-N 0 0 422.481 4.872 50 0 HJAARN CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OCCC(C)C)c(OC)c1 ZINC000008917241 571153283 /nfs/dbraw/zinc/15/32/83/571153283.db2.gz DTNQFIMSNHONIY-QFIPXVFZSA-N 0 0 421.493 4.792 50 0 HJAARN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000040073457 571153698 /nfs/dbraw/zinc/15/36/98/571153698.db2.gz RUKZEIVMOBTNFK-KRWDZBQOSA-N 0 0 407.297 4.554 50 0 HJAARN O=C(CSCc1ccccc1Cl)NCc1cccc(NC(=O)c2ccco2)c1 ZINC000040074497 571154644 /nfs/dbraw/zinc/15/46/44/571154644.db2.gz DJDXBJJKQATPOG-UHFFFAOYSA-N 0 0 414.914 4.735 50 0 HJAARN Cc1nc2cc(NC(=O)[C@H]3CCCN3C(=O)c3cc(Cl)ccc3Cl)ccc2o1 ZINC000040079768 571154916 /nfs/dbraw/zinc/15/49/16/571154916.db2.gz MMZKCTLRGFZDJA-QGZVFWFLSA-N 0 0 418.280 4.686 50 0 HJAARN C[C@@H](NC(=O)c1cccc(NC(=O)c2cccnc2)c1)c1cccc(C(F)(F)F)c1 ZINC000040086782 571157362 /nfs/dbraw/zinc/15/73/62/571157362.db2.gz IHIKNHAICQMQFV-CQSZACIVSA-N 0 0 413.399 4.844 50 0 HJAARN O=C(Nc1ccc(C(=O)NCc2ncc(-c3ccccc3)o2)cc1)c1cccs1 ZINC000040088194 571158552 /nfs/dbraw/zinc/15/85/52/571158552.db2.gz BINLKOLFFRWLDF-UHFFFAOYSA-N 0 0 403.463 4.585 50 0 HJAARN CCOc1ccc(C[NH2+]Cc2c(C)n(Cc3ccc(F)cc3)c(C)c2C(=O)[O-])cc1 ZINC000008932770 571163052 /nfs/dbraw/zinc/16/30/52/571163052.db2.gz OREQORKKEKKOCH-UHFFFAOYSA-N 0 0 410.489 4.679 50 0 HJAARN CCSc1nnc(SCCC(=O)Nc2ccc(Br)cc2)s1 ZINC000040122974 571178806 /nfs/dbraw/zinc/17/88/06/571178806.db2.gz UWFFVOYHBYTHMQ-UHFFFAOYSA-N 0 0 404.380 4.534 50 0 HJAARN COc1ccccc1C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CCC(C)C ZINC000008959282 571182861 /nfs/dbraw/zinc/18/28/61/571182861.db2.gz AVBLLDKECBOWIU-UHFFFAOYSA-N 0 0 410.514 4.745 50 0 HJAARN O=C(NCc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1)c1cccs1 ZINC000040131585 571184021 /nfs/dbraw/zinc/18/40/21/571184021.db2.gz XYKZMDSUEBZTCH-UHFFFAOYSA-N 0 0 408.498 4.622 50 0 HJAARN COC(=O)c1cc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)ccc1F ZINC000040132581 571185166 /nfs/dbraw/zinc/18/51/66/571185166.db2.gz FZXAHUOQZYZANE-UHFFFAOYSA-N 0 0 424.476 4.550 50 0 HJAARN Cc1ccc(NC(=O)[C@@H]2CCCN(c3ncccc3Cl)C2)c(Br)c1 ZINC000040134940 571187977 /nfs/dbraw/zinc/18/79/77/571187977.db2.gz NLGAXANSZIHYGO-CYBMUJFWSA-N 0 0 408.727 4.661 50 0 HJAARN CCN1c2ccccc2Oc2ccc(NS(=O)(=O)Cc3cccc(C)c3)cc2C1=O ZINC000008961169 571189447 /nfs/dbraw/zinc/18/94/47/571189447.db2.gz NYNXUYMXPCTRGK-UHFFFAOYSA-N 0 0 422.506 4.709 50 0 HJAARN CCc1ccccc1NC(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C ZINC000040140552 571191741 /nfs/dbraw/zinc/19/17/41/571191741.db2.gz UTBNCOLCQLFPDB-UHFFFAOYSA-N 0 0 402.420 4.647 50 0 HJAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@@H](C)SCc1ccccc1 ZINC000040140767 571192026 /nfs/dbraw/zinc/19/20/26/571192026.db2.gz YETIXZVSYPFHQD-OAHLLOKOSA-N 0 0 424.488 4.814 50 0 HJAARN O=C(c1[nH]c2ccc(Br)cc2c1Cl)N1CCN(c2ccccc2)CC1 ZINC000040142914 571193647 /nfs/dbraw/zinc/19/36/47/571193647.db2.gz MYOMBGOVJGYNTH-UHFFFAOYSA-N 0 0 418.722 4.546 50 0 HJAARN Cc1ccc(C(=O)CCC(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)cc1C ZINC000040146841 571196636 /nfs/dbraw/zinc/19/66/36/571196636.db2.gz AVOAXLIGAWZMBA-UHFFFAOYSA-N 0 0 403.526 4.748 50 0 HJAARN COc1cccc(C(=O)N(C)C)c1OCC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000040149478 571196870 /nfs/dbraw/zinc/19/68/70/571196870.db2.gz MSVJSBPDHFSMOJ-UHFFFAOYSA-N 0 0 412.530 4.661 50 0 HJAARN Cc1nc(-c2cccs2)sc1C(=O)N[C@@H]1CCCc2c1cnn2C(C)(C)C ZINC000040150206 571198546 /nfs/dbraw/zinc/19/85/46/571198546.db2.gz MVVLIYNPXFIIDT-CQSZACIVSA-N 0 0 400.573 4.939 50 0 HJAARN CCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000040151529 571199313 /nfs/dbraw/zinc/19/93/13/571199313.db2.gz ZJUGRVBFRKNZID-UHFFFAOYSA-N 0 0 411.523 4.504 50 0 HJAARN CCOc1ccc(-c2nc(CC(=O)NCc3ccsc3-n3cccc3)cs2)cc1 ZINC000040155030 571202466 /nfs/dbraw/zinc/20/24/66/571202466.db2.gz ICYOLFZTQHQHKV-UHFFFAOYSA-N 0 0 423.563 4.920 50 0 HJAARN O=C(Nc1sc2c(c1C(=O)NCC1(c3ccccc3)CC1)CCC2)c1ccco1 ZINC000040157354 571203935 /nfs/dbraw/zinc/20/39/35/571203935.db2.gz JICMNWUZZCOGNT-UHFFFAOYSA-N 0 0 406.507 4.544 50 0 HJAARN CCOc1ccc(-c2nc(C(=O)Nc3cnn(Cc4ccccc4)c3)cs2)cc1 ZINC000040157520 571204242 /nfs/dbraw/zinc/20/42/42/571204242.db2.gz RPINTRXKZFAHDV-UHFFFAOYSA-N 0 0 404.495 4.706 50 0 HJAARN O=C(Cc1ccc(Cl)c(Cl)c1)OCC(=O)c1ccc(Br)s1 ZINC000008987629 571205832 /nfs/dbraw/zinc/20/58/32/571205832.db2.gz PIAAIJDONVYSAD-UHFFFAOYSA-N 0 0 408.100 4.786 50 0 HJAARN O=C(Nc1cc(Cl)cc(C(F)(F)F)c1)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12 ZINC000009048261 571215797 /nfs/dbraw/zinc/21/57/97/571215797.db2.gz RMYATVOSYYIBBE-YOEHRIQHSA-N 0 0 412.820 4.567 50 0 HJAARN O=C(Cc1ccc(Cl)cc1)NCCSc1ncc(C(F)(F)F)cc1Cl ZINC000009049516 571216079 /nfs/dbraw/zinc/21/60/79/571216079.db2.gz CUKGTYBHLHNPTK-UHFFFAOYSA-N 0 0 409.260 4.858 50 0 HJAARN Cc1nc(-c2ccc(NC(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)cc2)cs1 ZINC000009114570 571223871 /nfs/dbraw/zinc/22/38/71/571223871.db2.gz MGGVBGLYTQXCDI-KXBFYZLASA-N 0 0 405.523 4.667 50 0 HJAARN CCn1c(C(=O)N2CCC(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)CC2)cc2sccc21 ZINC000245313008 571224559 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CCOC(=O)Cn1ccc2cc(NC(=O)c3sc(-c4ccccc4)nc3C)ccc21 ZINC000069491320 571228489 /nfs/dbraw/zinc/22/84/89/571228489.db2.gz YOSBRHOKOLYTLL-UHFFFAOYSA-N 0 0 419.506 4.889 50 0 HJAARN COc1cccc(OCC(=O)Nc2ccc3c(c2)C(=O)Nc2cc(Cl)ccc2O3)c1 ZINC000009135321 571229633 /nfs/dbraw/zinc/22/96/33/571229633.db2.gz UTEAZJQTRVISEO-UHFFFAOYSA-N 0 0 424.840 4.724 50 0 HJAARN Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)c3ccc(Br)o3)ccc1O2 ZINC000009135010 571229668 /nfs/dbraw/zinc/22/96/68/571229668.db2.gz NXNZLZMNJWMBDG-UHFFFAOYSA-N 0 0 413.227 4.961 50 0 HJAARN COc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)cc1 ZINC000009135325 571229676 /nfs/dbraw/zinc/22/96/76/571229676.db2.gz NENRPFFTSLMAMI-UHFFFAOYSA-N 0 0 402.450 4.567 50 0 HJAARN Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)COc3ccccc3C)ccc1O2 ZINC000009135407 571229866 /nfs/dbraw/zinc/22/98/66/571229866.db2.gz FIGQYGHNHYTXNH-UHFFFAOYSA-N 0 0 402.450 4.703 50 0 HJAARN O=C(CCC(=O)N1CCC(c2nc3ccccc3o2)CC1)c1ccc2c(c1)CCC2 ZINC000009155974 571231803 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COCCn1c(C)c(C)nc1SCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000032893879 522058088 /nfs/dbraw/zinc/05/80/88/522058088.db2.gz SONQXEPYNIORSV-UHFFFAOYSA-N 0 0 411.527 4.669 50 0 HJAARN CN(C)c1ccc(-c2nn3c(nnc3-c3cc(-c4ccc(Cl)cc4)n[nH]3)s2)cc1 ZINC000019827413 522129433 /nfs/dbraw/zinc/12/94/33/522129433.db2.gz RLRAUSFUNDKQAK-UHFFFAOYSA-N 0 0 421.917 4.629 50 0 HJAARN COC(=O)c1cccc(NC(=O)NC(Cc2ccc(F)cc2)Cc2ccc(F)cc2)c1 ZINC000032948845 522229070 /nfs/dbraw/zinc/22/90/70/522229070.db2.gz VXGTTYRLQZWGJI-UHFFFAOYSA-N 0 0 424.447 4.727 50 0 HJAARN COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2C)c(OC)c1OC ZINC000041107854 523759330 /nfs/dbraw/zinc/75/93/30/523759330.db2.gz HGXCCRIAAIVVFD-UHFFFAOYSA-N 0 0 420.465 4.525 50 0 HJAARN COc1ccc(CCC(=O)NC[C@@H](c2ccsc2)N2CCc3ccccc3C2)cc1 ZINC000022766033 523923575 /nfs/dbraw/zinc/92/35/75/523923575.db2.gz MVDXYMPMVXMZPU-DEOSSOPVSA-N 0 0 420.578 4.605 50 0 HJAARN COc1ccc(CCN(CC(F)(F)F)C(=O)c2cc(-c3ccccc3)on2)cc1 ZINC000041157303 523941249 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C[C@@H](NC(=O)CSc1nnc(SCc2cccs2)s1)c1ccccc1 ZINC000032823795 525126488 /nfs/dbraw/zinc/12/64/88/525126488.db2.gz BWAUVZBXYNQLJN-GFCCVEGCSA-N 0 0 407.611 4.861 50 0 HJAARN COc1ccc([C@@H](C)NC(=O)c2ccccc2SCc2cc(C)no2)cc1F ZINC000032810629 525143860 /nfs/dbraw/zinc/14/38/60/525143860.db2.gz LIGAQOOQVQBHPE-CQSZACIVSA-N 0 0 400.475 4.914 50 0 HJAARN C[C@@H](NC(=O)NCc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)c(Cl)c1 ZINC000022877292 525214714 /nfs/dbraw/zinc/21/47/14/525214714.db2.gz CHKYCDMMTAVLLR-CYBMUJFWSA-N 0 0 406.313 4.681 50 0 HJAARN COc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccc(OC(F)(F)F)cc2)cc1O ZINC000040266365 525237982 /nfs/dbraw/zinc/23/79/82/525237982.db2.gz WMWMCKDNRDERCU-AWEZNQCLSA-N 0 0 419.359 4.609 50 0 HJAARN Cc1cc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)no1 ZINC000032850740 525259702 /nfs/dbraw/zinc/25/97/02/525259702.db2.gz NMKQLUZHLUZXQF-UHFFFAOYSA-N 0 0 413.359 4.502 50 0 HJAARN Cc1[nH]c2ccccc2c1[C@@H](C(=O)[O-])[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000032074056 525448188 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Cc1ccc(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cc1C ZINC000021441466 558438424 /nfs/dbraw/zinc/43/84/24/558438424.db2.gz HLEMWIVPCYRWPS-QGZVFWFLSA-N 0 0 408.445 4.702 50 0 HJAARN O=C(c1ccc2nc(C3CC3)oc2c1)N1CCC([C@@H](O)CCc2ccccc2)CC1 ZINC000012612056 558438735 /nfs/dbraw/zinc/43/87/35/558438735.db2.gz ZZEVIRNZDFXKGB-QFIPXVFZSA-N 0 0 404.510 4.551 50 0 HJAARN Cn1ccnc1[C@H](NC(=O)Cc1csc(-c2cccc(Cl)c2)n1)c1ccccc1 ZINC000012630070 558441331 /nfs/dbraw/zinc/44/13/31/558441331.db2.gz DYCWVYDKXSBKDV-HXUWFJFHSA-N 0 0 422.941 4.645 50 0 HJAARN CCOC(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1-c1ccc(Cl)c(Cl)c1 ZINC000004354970 558442330 /nfs/dbraw/zinc/44/23/30/558442330.db2.gz AGVYWDBLBMWWDG-SNVBAGLBSA-N 0 0 412.298 4.878 50 0 HJAARN CSc1ccc(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1 ZINC000021601374 558443148 /nfs/dbraw/zinc/44/31/48/558443148.db2.gz CFWXDFKWXNIGTB-UHFFFAOYSA-N 0 0 401.491 4.668 50 0 HJAARN Cc1ccc2c(CNc3cccc(C(=O)N4CCSCC4)c3C)cc(=O)oc2c1C ZINC000072054569 558443669 /nfs/dbraw/zinc/44/36/69/558443669.db2.gz KOMLMJMQDJPYRW-UHFFFAOYSA-N 0 0 422.550 4.519 50 0 HJAARN CCN(Cc1nc(-c2ccccc2Cl)no1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000012654896 558444507 /nfs/dbraw/zinc/44/45/07/558444507.db2.gz ZPPHULIZDXCIHC-UHFFFAOYSA-N 0 0 419.934 4.526 50 0 HJAARN COc1ccc(CN[C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)c(Cl)c1OC ZINC000012705459 558449856 /nfs/dbraw/zinc/44/98/56/558449856.db2.gz RJBTXFXBFHBHSH-LBPRGKRZSA-N 0 0 421.875 4.980 50 0 HJAARN Cc1ncsc1CN(Cc1ccccc1)C(=O)c1cn(CCC2CCCCC2)nn1 ZINC000012711526 558452770 /nfs/dbraw/zinc/45/27/70/558452770.db2.gz HQVAOVZIDFSAAU-UHFFFAOYSA-N 0 0 423.586 4.856 50 0 HJAARN Cc1cc(=O)oc2cc(OCC(=O)NCc3ccc(-c4ccc(Cl)cc4)o3)ccc12 ZINC000010810968 558457384 /nfs/dbraw/zinc/45/73/84/558457384.db2.gz TWZFZHFFESPAFF-UHFFFAOYSA-N 0 0 423.852 4.710 50 0 HJAARN CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)C2CCCC2)c1 ZINC000012746041 558458146 /nfs/dbraw/zinc/45/81/46/558458146.db2.gz QJXZTQOOZGIAAS-UHFFFAOYSA-N 0 0 416.543 4.638 50 0 HJAARN CCOc1ccc(CN(CC)C(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1OC ZINC000012785496 558463206 /nfs/dbraw/zinc/46/32/06/558463206.db2.gz XPRJCMSOLOSISS-UHFFFAOYSA-N 0 0 422.481 4.602 50 0 HJAARN COc1ccc(-c2nnc([C@@H](C)Sc3nc(C)c(C)n3C[C@@H]3CCCO3)o2)cc1 ZINC000022131508 558463959 /nfs/dbraw/zinc/46/39/59/558463959.db2.gz MIDKKYKMUJEHHT-QAPCUYQASA-N 0 0 414.531 4.591 50 0 HJAARN CCS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 ZINC000005241790 558464907 /nfs/dbraw/zinc/46/49/07/558464907.db2.gz JREYLIBHANHPPO-UHFFFAOYSA-N 0 0 406.463 4.541 50 0 HJAARN O=C(Cn1cnc2sccc2c1=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000012797209 558469861 /nfs/dbraw/zinc/46/98/61/558469861.db2.gz XLAUFVORFLDULU-UHFFFAOYSA-N 0 0 411.870 4.542 50 0 HJAARN CSc1ccc(CN(C)C(=O)CCn2c(-c3cccc(C)c3)n[nH]c2=S)cc1 ZINC000012797983 558470254 /nfs/dbraw/zinc/47/02/54/558470254.db2.gz UXTBGRAUUHYXCG-UHFFFAOYSA-N 0 0 412.584 4.687 50 0 HJAARN CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N3c4ccccc4C[C@@H]3C)o2)cc1 ZINC000012803534 558472554 /nfs/dbraw/zinc/47/25/54/558472554.db2.gz ALCDGDXKAIURJU-LSDHHAIUSA-N 0 0 409.511 4.594 50 0 HJAARN COc1ccccc1C(=O)COC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000012805476 558473489 /nfs/dbraw/zinc/47/34/89/558473489.db2.gz HPLQYDQIHIZGRR-HZPDHXFCSA-N 0 0 407.491 4.781 50 0 HJAARN Cc1nc(-c2ccc(C)cc2)sc1CCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000004392404 558485109 /nfs/dbraw/zinc/48/51/09/558485109.db2.gz QJGFQJQWCIUMDX-UHFFFAOYSA-N 0 0 406.960 4.601 50 0 HJAARN O=C(CCn1c(=O)oc2cc(Cl)ccc21)N(Cc1ccco1)Cc1cccs1 ZINC000012976857 558491859 /nfs/dbraw/zinc/49/18/59/558491859.db2.gz LRNMDBFRMJXJCB-UHFFFAOYSA-N 0 0 416.886 4.522 50 0 HJAARN COc1cccc(-c2nc(CSCC(=O)N3CCC(c4ccccc4)=N3)cs2)c1 ZINC000012978107 558492408 /nfs/dbraw/zinc/49/24/08/558492408.db2.gz NXFSBRMWGXPZTB-UHFFFAOYSA-N 0 0 423.563 4.689 50 0 HJAARN Cc1ccc(NC(=O)c2c[nH]c3ccccc23)cc1S(=O)(=O)Nc1ccccc1F ZINC000012978681 558492526 /nfs/dbraw/zinc/49/25/26/558492526.db2.gz TWJSRMMKXSTOID-UHFFFAOYSA-N 0 0 423.469 4.669 50 0 HJAARN CC(=O)c1ccc(NC(=O)[C@@H](C)SCc2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000012986954 558495634 /nfs/dbraw/zinc/49/56/34/558495634.db2.gz JNJQEMLCMBYWBG-CYBMUJFWSA-N 0 0 415.902 4.853 50 0 HJAARN C[C@H](OC(=O)c1ccc(SCc2cscn2)cc1)c1nc2ccccc2c(=O)[nH]1 ZINC000012996931 558498847 /nfs/dbraw/zinc/49/88/47/558498847.db2.gz RHQKKRIDUVLRPD-ZDUSSCGKSA-N 0 0 423.519 4.590 50 0 HJAARN C[C@H]1Oc2ccc(NC(=O)CSC(c3ccccc3)c3ccccc3)cc2NC1=O ZINC000013001492 558500605 /nfs/dbraw/zinc/50/06/05/558500605.db2.gz SKILZMAZWUKAGT-MRXNPFEDSA-N 0 0 418.518 4.867 50 0 HJAARN C[C@@H]1Oc2ccc(NC(=O)CSC(c3ccccc3)c3ccccc3)cc2NC1=O ZINC000013001490 558500652 /nfs/dbraw/zinc/50/06/52/558500652.db2.gz SKILZMAZWUKAGT-INIZCTEOSA-N 0 0 418.518 4.867 50 0 HJAARN COc1ccc(NC(=O)c2cc(C)nc3c2cnn3Cc2cccs2)cc1Cl ZINC000013010411 558503000 /nfs/dbraw/zinc/50/30/00/558503000.db2.gz BUFJGGFCFOGWJJ-UHFFFAOYSA-N 0 0 412.902 4.764 50 0 HJAARN Cc1ccc2c(CC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)coc2c1C ZINC000013059952 558509634 /nfs/dbraw/zinc/50/96/34/558509634.db2.gz KNPSNYUNUCEDSX-UHFFFAOYSA-N 0 0 416.443 4.960 50 0 HJAARN C[C@H](CC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1 ZINC000013071272 558511469 /nfs/dbraw/zinc/51/14/69/558511469.db2.gz DDBDXLFHKOXHNX-CQSZACIVSA-N 0 0 411.855 4.596 50 0 HJAARN Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)c1 ZINC000013097601 558513594 /nfs/dbraw/zinc/51/35/94/558513594.db2.gz XTHDYPMMPJJQBX-UHFFFAOYSA-N 0 0 418.877 4.841 50 0 HJAARN CC(=O)c1cccc(NC(=O)[C@H](OC(=O)[C@]2(C)CC2(Cl)Cl)c2ccccc2)c1 ZINC000010863553 558514829 /nfs/dbraw/zinc/51/48/29/558514829.db2.gz MFXZSSYDDKMMEH-XLIONFOSSA-N 0 0 420.292 4.696 50 0 HJAARN COC(=O)c1cc2c3cc(Br)c(Br)cc3n(C)c2s1 ZINC000013114529 558515866 /nfs/dbraw/zinc/51/58/66/558515866.db2.gz PIYXZEMEUVTFEU-UHFFFAOYSA-N 0 0 403.095 4.705 50 0 HJAARN O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccccc1C(=O)NC1CC1 ZINC000013118028 558516743 /nfs/dbraw/zinc/51/67/43/558516743.db2.gz ZWVWLUPTVZIHEB-UHFFFAOYSA-N 0 0 417.943 4.573 50 0 HJAARN Cc1sc2[nH]c([C@H](C)Sc3nc(C4CC4)n(-c4ccccc4)n3)nc(=O)c2c1C ZINC000013120641 558517053 /nfs/dbraw/zinc/51/70/53/558517053.db2.gz CCEGPOCOSDOJGY-ZDUSSCGKSA-N 0 0 423.567 4.913 50 0 HJAARN CC(=O)N1CCN(c2nc(-c3cccs3)nc3scc(-c4ccccc4)c32)CC1 ZINC000013134890 558520716 /nfs/dbraw/zinc/52/07/16/558520716.db2.gz IPJRSQFRRVAIDJ-UHFFFAOYSA-N 0 0 420.563 4.755 50 0 HJAARN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc3ccccc3c2)cc1Br ZINC000013137293 558521480 /nfs/dbraw/zinc/52/14/80/558521480.db2.gz RPMFSJMFGXVUAG-CYBMUJFWSA-N 0 0 420.328 4.650 50 0 HJAARN O=C(Nc1cc(C(F)(F)F)ccc1-n1ccnc1)c1ccc(Br)cc1 ZINC000013146068 558522912 /nfs/dbraw/zinc/52/29/12/558522912.db2.gz SMUPRALNFNPVJC-UHFFFAOYSA-N 0 0 410.193 4.906 50 0 HJAARN Cc1ccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 ZINC000013207227 558525702 /nfs/dbraw/zinc/52/57/02/558525702.db2.gz LKAMRDISBFIJAL-JOCHJYFZSA-N 0 0 410.473 4.859 50 0 HJAARN O=S(=O)(CCN1CCc2sccc2[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000023039903 558531255 /nfs/dbraw/zinc/53/12/55/558531255.db2.gz SQDJMLSBKIWBSL-OAQYLSRUSA-N 0 0 417.983 4.823 50 0 HJAARN O=C(c1ccc(Cl)cc1)N1CCN(c2cc(C(F)(F)F)nc3ccccc32)CC1 ZINC000013466488 558533528 /nfs/dbraw/zinc/53/35/28/558533528.db2.gz IYNQABUWUIEQOW-UHFFFAOYSA-N 0 0 419.834 4.869 50 0 HJAARN Cc1cc2sc(NC(=O)CCNC(=O)C34CC5CC(CC(C5)C3)C4)nc2c(C)c1 ZINC000023124661 558535493 /nfs/dbraw/zinc/53/54/93/558535493.db2.gz HXXQSJXZPYAGEL-UHFFFAOYSA-N 0 0 411.571 4.574 50 0 HJAARN O=C1C[C@@H](c2ccc3c(c2)OCO3)c2c(-c3ccccc3)nn(-c3ccccc3)c2N1 ZINC000013518364 558536347 /nfs/dbraw/zinc/53/63/47/558536347.db2.gz UTCKMUYOZIDIJV-IBGZPJMESA-N 0 0 409.445 4.742 50 0 HJAARN CC(C)(C)c1ccc(OCCCOc2ccc(/C=C3\SC(=N)NC3=O)cc2)cc1 ZINC000023128378 558536427 /nfs/dbraw/zinc/53/64/27/558536427.db2.gz HLJSMUDJCXINFW-HKWRFOASSA-N 0 0 410.539 4.971 50 0 HJAARN COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)s2)c1 ZINC000013519083 558536505 /nfs/dbraw/zinc/53/65/05/558536505.db2.gz UYPNTSPSYKLYIK-UHFFFAOYSA-N 0 0 421.931 4.607 50 0 HJAARN Cc1ccc2c(c1)/C(=C/c1nc3ccccc3c(=O)n1-c1cccc(C)c1)C(=O)N2C ZINC000013590248 558545881 /nfs/dbraw/zinc/54/58/81/558545881.db2.gz NDYKHPJMEPUDNS-QNGOZBTKSA-N 0 0 407.473 4.520 50 0 HJAARN COc1ccc([C@H]2CC(=O)c3cnc4c(-c5ccccc5)c(C)nn4c3C2)c(OC)c1 ZINC000013628185 558551475 /nfs/dbraw/zinc/55/14/75/558551475.db2.gz KWYJQTHJILLJRJ-QGZVFWFLSA-N 0 0 413.477 4.635 50 0 HJAARN Cc1onc(C(=O)Nc2ccc(Cl)cn2)c1COc1cccc(C(F)(F)F)c1 ZINC000013640912 558555392 /nfs/dbraw/zinc/55/53/92/558555392.db2.gz VVNNAZCDCAFPIE-UHFFFAOYSA-N 0 0 411.767 4.882 50 0 HJAARN COC(=O)c1cc(-c2ccc(Cl)cc2)nc2c3c(nn21)nc(C(F)(F)F)cc3C ZINC000013645729 558556677 /nfs/dbraw/zinc/55/66/77/558556677.db2.gz DIHIXZDCQDUVRB-UHFFFAOYSA-N 0 0 420.778 4.712 50 0 HJAARN Cc1nc(C2(NC(=O)c3c(C)oc4c3c(F)c(F)c(F)c4F)CCCCC2)no1 ZINC000023508253 558560450 /nfs/dbraw/zinc/56/04/50/558560450.db2.gz QVTQSIOEWFERCC-UHFFFAOYSA-N 0 0 411.355 4.578 50 0 HJAARN Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(Br)c(C)c2)c1 ZINC000010916928 558562341 /nfs/dbraw/zinc/56/23/41/558562341.db2.gz QWMFTSLCRFNLQR-UHFFFAOYSA-N 0 0 417.332 4.626 50 0 HJAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccc(NC(=O)c2ccco2)s1 ZINC000023576310 558562776 /nfs/dbraw/zinc/56/27/76/558562776.db2.gz XTJROVODKPYLHH-ZDUSSCGKSA-N 0 0 422.462 4.811 50 0 HJAARN O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCN(Cc2cccs2)CC1 ZINC000023736687 558572306 /nfs/dbraw/zinc/57/23/06/558572306.db2.gz IHGOOKZTBYMAGS-UHFFFAOYSA-N 0 0 403.507 4.514 50 0 HJAARN O=C(Nc1ccccc1C(=O)NCCc1c[nH]c2ccc(Cl)cc12)c1ccco1 ZINC000013691153 558573210 /nfs/dbraw/zinc/57/32/10/558573210.db2.gz IWSUTXDSXDHLEK-UHFFFAOYSA-N 0 0 407.857 4.639 50 0 HJAARN Cc1c(C(=O)N[C@@H](c2nccn2C)c2ccc(F)cc2)sc2nc(C)cc(C)c12 ZINC000023778191 558575745 /nfs/dbraw/zinc/57/57/45/558575745.db2.gz ZVDMIEFHPQPNOW-GOSISDBHSA-N 0 0 408.502 4.614 50 0 HJAARN COc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)C2CCCCC2)cc1 ZINC000013715021 558578544 /nfs/dbraw/zinc/57/85/44/558578544.db2.gz OTMFOGNWPUBPRP-UHFFFAOYSA-N 0 0 404.510 4.959 50 0 HJAARN CCCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccco1 ZINC000013718372 558580284 /nfs/dbraw/zinc/58/02/84/558580284.db2.gz ZTCGHYAVFYQTIA-UHFFFAOYSA-N 0 0 414.527 4.892 50 0 HJAARN O=c1oc2c(ccc3c2CN(Cc2cccnc2)CO3)cc1-c1ccc(Cl)cc1 ZINC000013727870 558585235 /nfs/dbraw/zinc/58/52/35/558585235.db2.gz JJYITPWGYAUBBK-UHFFFAOYSA-N 0 0 404.853 4.861 50 0 HJAARN COc1cccc(CNC(=O)C2(c3ccc(NC(=O)C4CC4)cc3)CCCCC2)c1 ZINC000065027477 558587955 /nfs/dbraw/zinc/58/79/55/558587955.db2.gz APIINDRUCCAAOA-UHFFFAOYSA-N 0 0 406.526 4.562 50 0 HJAARN CCOc1cc(CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)C2CC2)ccc1OC(F)F ZINC000024135926 558590146 /nfs/dbraw/zinc/59/01/46/558590146.db2.gz ZIUVLRXADYODKZ-SJPCQFCGSA-N 0 0 421.484 4.573 50 0 HJAARN Cc1ccc(SCCNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000024148143 558590566 /nfs/dbraw/zinc/59/05/66/558590566.db2.gz PEOBWGHHLJXJKY-UHFFFAOYSA-N 0 0 423.504 4.534 50 0 HJAARN CCN(Cc1ccc(Cl)s1)Cn1nc(-c2ccccc2OC)n(C)c1=S ZINC000024177807 558590985 /nfs/dbraw/zinc/59/09/85/558590985.db2.gz APQZSCNWKATRCM-UHFFFAOYSA-N 0 0 408.980 4.821 50 0 HJAARN COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2cc(C)ccc2C)cc1 ZINC000013769881 558591767 /nfs/dbraw/zinc/59/17/67/558591767.db2.gz QMRMWHQBABTUIB-HDYLNDSGSA-N 0 0 422.569 4.619 50 0 HJAARN COc1ccccc1N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1cccs1 ZINC000013779295 558592927 /nfs/dbraw/zinc/59/29/27/558592927.db2.gz VRVCUUPKDQNQKG-UHFFFAOYSA-N 0 0 404.491 4.754 50 0 HJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc(F)c3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013787947 558593683 /nfs/dbraw/zinc/59/36/83/558593683.db2.gz CGTHHUAWOJLGOO-NJDAHSKKSA-N 0 0 422.843 4.530 50 0 HJAARN O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)NCc1cccs1 ZINC000004463068 558596492 /nfs/dbraw/zinc/59/64/92/558596492.db2.gz CAUUNDXKSGPCEX-UHFFFAOYSA-N 0 0 409.511 4.906 50 0 HJAARN CCC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(OC)cc2)cc1 ZINC000013844498 558597575 /nfs/dbraw/zinc/59/75/75/558597575.db2.gz YLDDSZQXOCIYAV-UHFFFAOYSA-N 0 0 417.465 4.548 50 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/nfs/dbraw/zinc/60/95/68/558609568.db2.gz QESIPYDNTVZGQP-UHFFFAOYSA-N 0 0 401.495 4.718 50 0 HJAARN COc1ccc(C(=O)OCCOc2cccc(Cl)c2)cc1OCc1ccccn1 ZINC000024776161 558612347 /nfs/dbraw/zinc/61/23/47/558612347.db2.gz PKRAAPHZOOTYDB-UHFFFAOYSA-N 0 0 413.857 4.558 50 0 HJAARN O=C(N[C@H](c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)OCc1ccccc1 ZINC000014008014 558612742 /nfs/dbraw/zinc/61/27/42/558612742.db2.gz QZAUJXSQDZWJSB-FQEVSTJZSA-N 0 0 415.898 4.739 50 0 HJAARN CC(=O)c1ccccc1OCC[S@](=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000024830331 558614791 /nfs/dbraw/zinc/61/47/91/558614791.db2.gz PXFPUYGNTFSKAR-HHHXNRCGSA-N 0 0 403.887 4.525 50 0 HJAARN COCc1c(C(=O)OCCOc2ccccc2C(C)=O)sc2cccc(F)c21 ZINC000024833106 558615488 /nfs/dbraw/zinc/61/54/88/558615488.db2.gz PKIRZKWAXSZXMT-UHFFFAOYSA-N 0 0 402.443 4.625 50 0 HJAARN Cc1ccc(-c2nnc(CCC(=O)Nc3ccc4[nH]c(C(C)(C)C)nc4c3)o2)cc1 ZINC000024837123 558616189 /nfs/dbraw/zinc/61/61/89/558616189.db2.gz QQHBPZSUKMZMJM-UHFFFAOYSA-N 0 0 403.486 4.790 50 0 HJAARN 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O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccc2ccccc21 ZINC000014429021 558654695 /nfs/dbraw/zinc/65/46/95/558654695.db2.gz HQCUIKPUFPVZGN-UHFFFAOYSA-N 0 0 422.550 4.586 50 0 HJAARN CN(C)c1ccc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1 ZINC000014502659 558655275 /nfs/dbraw/zinc/65/52/75/558655275.db2.gz UMPGUBWUDFTVNG-UHFFFAOYSA-N 0 0 410.521 4.594 50 0 HJAARN Cc1ccc(C)c(NC(=O)CN2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000026456718 558661316 /nfs/dbraw/zinc/66/13/16/558661316.db2.gz IFLZVECQQYXYOI-LJQANCHMSA-N 0 0 420.340 4.652 50 0 HJAARN CCOc1cccc2c1O[C@@H](c1ccc(OC)cc1)N1N=C(c3cccnc3)C[C@H]21 ZINC000004540139 558661602 /nfs/dbraw/zinc/66/16/02/558661602.db2.gz SKTKKIDETZOUTP-QPPBQGQZSA-N 0 0 401.466 4.731 50 0 HJAARN CCc1cccc(CC)c1Nc1nnc(S[C@H](C)C(=O)NCC(F)(F)F)s1 ZINC000014676426 558663341 /nfs/dbraw/zinc/66/33/41/558663341.db2.gz NCVTXQJDQJJROO-SNVBAGLBSA-N 0 0 418.510 4.566 50 0 HJAARN Cc1ccc(OCc2nc(CC(=O)N(C)Cc3cccc(Cl)c3)cs2)cc1 ZINC000014680661 558663473 /nfs/dbraw/zinc/66/34/73/558663473.db2.gz PJAPBACJHJQSID-UHFFFAOYSA-N 0 0 400.931 4.885 50 0 HJAARN C[C@@H](OC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1)C(=O)N1CCCC1 ZINC000014679511 558663484 /nfs/dbraw/zinc/66/34/84/558663484.db2.gz PYMBXJMTFXWXPX-CQSZACIVSA-N 0 0 406.404 4.617 50 0 HJAARN Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1 ZINC000026678531 558664199 /nfs/dbraw/zinc/66/41/99/558664199.db2.gz YQPHUSUUQSQAIJ-UHFFFAOYSA-N 0 0 407.470 4.717 50 0 HJAARN NC(=O)C1(C2CCCCC2)CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000004549446 558673141 /nfs/dbraw/zinc/67/31/41/558673141.db2.gz DVGRVTOGYGPXQF-UHFFFAOYSA-N 0 0 413.509 4.550 50 0 HJAARN COc1cc(CN(C(=O)c2ccc(Cl)cc2)c2ccccn2)cc(OC)c1OC ZINC000027579658 558675455 /nfs/dbraw/zinc/67/54/55/558675455.db2.gz UMHSWOIYCMIMCO-UHFFFAOYSA-N 0 0 412.873 4.608 50 0 HJAARN CC(C)Oc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 ZINC000027580491 558675726 /nfs/dbraw/zinc/67/57/26/558675726.db2.gz HSIGVGHXCYYVDX-CYBMUJFWSA-N 0 0 401.850 4.583 50 0 HJAARN CCCCOc1ccc(-c2nonc2NC(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000027580527 558675824 /nfs/dbraw/zinc/67/58/24/558675824.db2.gz QNDWJHGVBAWACR-UHFFFAOYSA-N 0 0 401.850 4.830 50 0 HJAARN CCNC(=O)c1ccc(-c2cccc3c4ccccc4sc32)nc1N1CCOCC1 ZINC000014882697 558676628 /nfs/dbraw/zinc/67/66/28/558676628.db2.gz MVNKHDFMBLWTTQ-UHFFFAOYSA-N 0 0 417.534 4.703 50 0 HJAARN CCOc1cccc(Nc2nc(Nc3ccc(C)c(C)c3)nc(N3CCCC3)n2)c1 ZINC000027643071 558677545 /nfs/dbraw/zinc/67/75/45/558677545.db2.gz PIRMOUGEGVFFOQ-UHFFFAOYSA-N 0 0 404.518 4.975 50 0 HJAARN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cc(-c2ccc(Br)cc2)no1 ZINC000027747223 558681450 /nfs/dbraw/zinc/68/14/50/558681450.db2.gz ZKMJXWZAMBUACI-NSHDSACASA-N 0 0 405.223 4.649 50 0 HJAARN C[C@H](Oc1ccccc1F)C(=O)Nc1cc(-c2ccc(Br)cc2)no1 ZINC000027749594 558681928 /nfs/dbraw/zinc/68/19/28/558681928.db2.gz OUYIKKUPATZWOR-NSHDSACASA-N 0 0 405.223 4.649 50 0 HJAARN CC(=O)c1cc(CN2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)cs1 ZINC000014956360 558682495 /nfs/dbraw/zinc/68/24/95/558682495.db2.gz 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558719664 /nfs/dbraw/zinc/71/96/64/558719664.db2.gz RNZJMOQIESFELM-ZJUUUORDSA-N 0 0 413.528 4.895 50 0 HJAARN COc1ccc(NC(=O)c2sc3c(c2C)[C@H](c2cccc(F)c2)CC(=O)N3)cc1 ZINC000015106635 558722959 /nfs/dbraw/zinc/72/29/59/558722959.db2.gz HWDQYAGZWUOJCI-KRWDZBQOSA-N 0 0 410.470 4.931 50 0 HJAARN COc1cc([C@H]2CC(=O)Nc3c(-c4ccc(OC)c(OC)c4)csc32)ccc1O ZINC000015106970 558723083 /nfs/dbraw/zinc/72/30/83/558723083.db2.gz NHEBUGWPSFIMMS-CQSZACIVSA-N 0 0 411.479 4.621 50 0 HJAARN COC(=O)c1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(OC)c(OC)c4)csc32)cc1 ZINC000015107648 558723494 /nfs/dbraw/zinc/72/34/94/558723494.db2.gz LZYOUCIISOWJEO-INIZCTEOSA-N 0 0 423.490 4.693 50 0 HJAARN CCCCN(CC)C(=O)CSCc1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000029896809 558723511 /nfs/dbraw/zinc/72/35/11/558723511.db2.gz MDLUJHUEKMYNDS-UHFFFAOYSA-N 0 0 421.613 4.595 50 0 HJAARN Cc1c(C(=O)N(Cc2cccs2)C2CC2)cnn1-c1ccc(Br)cc1 ZINC000030301804 558728613 /nfs/dbraw/zinc/72/86/13/558728613.db2.gz BELJPTPVTVGQRK-UHFFFAOYSA-N 0 0 416.344 4.810 50 0 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/nfs/dbraw/zinc/76/11/48/558761148.db2.gz DTMVTXLBKHXGFA-UHFFFAOYSA-N 0 0 409.902 4.744 50 0 HJAARN CCc1cccc(NC(=O)c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)c1 ZINC000015960064 558764267 /nfs/dbraw/zinc/76/42/67/558764267.db2.gz VYLXUKOIYIYXPX-UHFFFAOYSA-N 0 0 404.466 4.527 50 0 HJAARN CC(C)Sc1nnc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)o1 ZINC000015987319 558765462 /nfs/dbraw/zinc/76/54/62/558765462.db2.gz YBOIOOGZDRFKRI-MRXNPFEDSA-N 0 0 402.520 4.860 50 0 HJAARN COc1cc(OC)c([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCC2)cc1OC ZINC000071287694 558767162 /nfs/dbraw/zinc/76/71/62/558767162.db2.gz MQDVXKQZOAACHV-GOSISDBHSA-N 0 0 403.504 4.616 50 0 HJAARN CCOc1ccc2nc(N3CCN(C(=O)c4ccc5c(c4)CCCC5)CC3)sc2c1 ZINC000004583434 558773203 /nfs/dbraw/zinc/77/32/03/558773203.db2.gz QJUJGAOCHGEAMW-UHFFFAOYSA-N 0 0 421.566 4.536 50 0 HJAARN COc1ccc2c(c1)CN(C(=O)Nc1cccc(-c3nc4ccccc4n3C)c1)CC2 ZINC000072309751 558773998 /nfs/dbraw/zinc/77/39/98/558773998.db2.gz XIWAHCVUQLGICU-UHFFFAOYSA-N 0 0 412.493 4.839 50 0 HJAARN Cc1ccc(O)c(NC(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)(F)F)c1 ZINC000000975377 558774872 /nfs/dbraw/zinc/77/48/72/558774872.db2.gz MSMZLABNYXIWSP-UHFFFAOYSA-N 0 0 412.371 4.681 50 0 HJAARN Nc1c(C(=O)Nc2ccc(Cl)cc2)c2ccccn2c1C(=O)c1ccc(F)cc1 ZINC000004585239 558775514 /nfs/dbraw/zinc/77/55/14/558775514.db2.gz FHMRXWBLTYDZRH-UHFFFAOYSA-N 0 0 407.832 4.797 50 0 HJAARN COc1ccc(C)cc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000001156411 558775568 /nfs/dbraw/zinc/77/55/68/558775568.db2.gz LIPWLBJJJMEBSA-UHFFFAOYSA-N 0 0 421.324 4.801 50 0 HJAARN O=C(Nc1nccs1)c1ccc(Oc2cccc(C(=O)Nc3nccs3)c2)cc1 ZINC000001209778 558776009 /nfs/dbraw/zinc/77/60/09/558776009.db2.gz RCSCUYLXQVNGFR-UHFFFAOYSA-N 0 0 422.491 4.897 50 0 HJAARN CN1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(Cl)c(Cl)c3)N2C1=S ZINC000022018283 558778914 /nfs/dbraw/zinc/77/89/14/558778914.db2.gz DJTCQNZYAWFGFQ-AEFFLSMTSA-N 0 0 416.333 4.548 50 0 HJAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2-n2cccc2)c1 ZINC000004586097 558781773 /nfs/dbraw/zinc/78/17/73/558781773.db2.gz XDYQROITMGSWLR-UHFFFAOYSA-N 0 0 417.538 4.714 50 0 HJAARN O=C(NCc1ccccc1)c1c2ccccc2nc2c1CN(Cc1ccccc1)CC2 ZINC000034828332 558784378 /nfs/dbraw/zinc/78/43/78/558784378.db2.gz VAPSOYHLBPQIMP-UHFFFAOYSA-N 0 0 407.517 4.723 50 0 HJAARN Cc1cccc(C)c1OCc1nnc(NC(=O)c2cccc(Br)c2)s1 ZINC000016293732 558784429 /nfs/dbraw/zinc/78/44/29/558784429.db2.gz AGSJGHBTUGUEOA-UHFFFAOYSA-N 0 0 418.316 4.749 50 0 HJAARN CCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)C1CCCCC1 ZINC000004586776 558784609 /nfs/dbraw/zinc/78/46/09/558784609.db2.gz COPVKFZQCVNDEX-UHFFFAOYSA-N 0 0 410.558 4.670 50 0 HJAARN CCOc1ccccc1C(=O)Nc1ccc(-n2c(C)nc3ccccc3c2=O)cc1C ZINC000004585497 558784630 /nfs/dbraw/zinc/78/46/30/558784630.db2.gz DHLNZFRYTGCCHR-UHFFFAOYSA-N 0 0 413.477 4.654 50 0 HJAARN CCc1ccc(NC(=O)N2CCC[C@H](c3nc(-c4ccc(OC)cc4)no3)C2)cc1 ZINC000004587639 558786596 /nfs/dbraw/zinc/78/65/96/558786596.db2.gz MALQVMCIYLMQIW-SFHVURJKSA-N 0 0 406.486 4.719 50 0 HJAARN COc1cccc([C@H](CC(=O)NCc2ccccc2)c2cnc3n2[C@H](C)CCC3)c1 ZINC000034919261 558787587 /nfs/dbraw/zinc/78/75/87/558787587.db2.gz AUUFLAAZDKVEHW-GCJKJVERSA-N 0 0 403.526 4.627 50 0 HJAARN Cc1cccc(-c2nc(CC(=O)N[C@H](C)[C@H](O)c3c(F)cccc3Cl)cs2)c1 ZINC000072311625 558788778 /nfs/dbraw/zinc/78/87/78/558788778.db2.gz XTBCRMXRNJWDGK-XCLFUZPHSA-N 0 0 418.921 4.692 50 0 HJAARN O=C(NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1cccs1 ZINC000016448599 558791929 /nfs/dbraw/zinc/79/19/29/558791929.db2.gz GQVSFPNOFQHOJH-UHFFFAOYSA-N 0 0 421.503 4.873 50 0 HJAARN CCc1ccc(N2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000035482077 558792643 /nfs/dbraw/zinc/79/26/43/558792643.db2.gz CTOQVRYTEPGTEC-DEOSSOPVSA-N 0 0 421.566 4.743 50 0 HJAARN COc1ccc(NC(=O)Cc2c(C)nn(-c3nc(-c4ccccc4)cs3)c2C)cc1 ZINC000035477121 558792671 /nfs/dbraw/zinc/79/26/71/558792671.db2.gz IZEZMOWBXKNEEC-UHFFFAOYSA-N 0 0 418.522 4.802 50 0 HJAARN COc1ccc(C2=N/C(=C\c3cccc4ccccc34)C(=O)O2)c(Br)c1 ZINC000004590379 558792636 /nfs/dbraw/zinc/79/26/36/558792636.db2.gz GMKOCLFNYCGOEC-ODLFYWEKSA-N 0 0 408.251 4.955 50 0 HJAARN COc1ccc(CC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)c(OC)c1OC ZINC000016490258 558794370 /nfs/dbraw/zinc/79/43/70/558794370.db2.gz LTIOSYIHZOSQCK-KRWDZBQOSA-N 0 0 405.494 4.799 50 0 HJAARN COc1cc(-c2nc3cccc(C)n3c2Nc2ccc3c(c2)OCO3)cc(OC)c1O ZINC000035615872 558794475 /nfs/dbraw/zinc/79/44/75/558794475.db2.gz NGCAWDSHRYIBAS-UHFFFAOYSA-N 0 0 419.437 4.505 50 0 HJAARN O=S(=O)(NCCSCc1c(F)cccc1Cl)c1ccc2ccccc2c1 ZINC000016545876 558795631 /nfs/dbraw/zinc/79/56/31/558795631.db2.gz LWQWINRZKROTFB-UHFFFAOYSA-N 0 0 409.935 4.844 50 0 HJAARN O[C@H]1Cc2ccccc2[C@H]1NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000035919624 558795928 /nfs/dbraw/zinc/79/59/28/558795928.db2.gz SUSUBFXIXQAEHC-LSDHHAIUSA-N 0 0 420.378 4.669 50 0 HJAARN CC[C@@H](C)NC(=O)c1coc(CN(Cc2sccc2C)Cc2ccc(F)cc2)n1 ZINC000036072352 558797523 /nfs/dbraw/zinc/79/75/23/558797523.db2.gz PIDXHVYAZBKYEP-MRXNPFEDSA-N 0 0 415.534 4.914 50 0 HJAARN O=c1c2ccccc2nc(SCc2ccc(-n3cccn3)cc2)n1Cc1ccco1 ZINC000016662834 558798305 /nfs/dbraw/zinc/79/83/05/558798305.db2.gz RTULQROLAOZKOG-UHFFFAOYSA-N 0 0 414.490 4.516 50 0 HJAARN COc1cc(OC)cc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2Cl)c1 ZINC000036247213 558798586 /nfs/dbraw/zinc/79/85/86/558798586.db2.gz BBKZMTBGNOLXFH-UHFFFAOYSA-N 0 0 417.914 4.753 50 0 HJAARN CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(C)c4OC)cc3n2)cc1 ZINC000016692079 558800210 /nfs/dbraw/zinc/80/02/10/558800210.db2.gz VDSSKAUVZWANLA-UHFFFAOYSA-N 0 0 416.481 4.697 50 0 HJAARN Cc1cccc(NC(=O)Nc2ccc(Nc3cc(-n4ccnc4)nc(C)n3)cc2)c1C ZINC000036705819 558801172 /nfs/dbraw/zinc/80/11/72/558801172.db2.gz MPDUODLZFULONF-UHFFFAOYSA-N 0 0 413.485 4.975 50 0 HJAARN CCCCCC(=O)N1CCN(c2cc(Oc3ccc(Cl)cc3)ncn2)C[C@H]1C ZINC000037355843 558804177 /nfs/dbraw/zinc/80/41/77/558804177.db2.gz RZUQYZNVAJNIEX-MRXNPFEDSA-N 0 0 402.926 4.540 50 0 HJAARN Clc1ccc(Oc2cc(N3CCN(Cc4cccc(Cl)c4)CC3)ncn2)cc1 ZINC000037356362 558804245 /nfs/dbraw/zinc/80/42/45/558804245.db2.gz IEZOLJQZSYPZMJ-UHFFFAOYSA-N 0 0 415.324 4.898 50 0 HJAARN COc1ccccc1N1CCN(c2cc(Oc3cc(C)ccc3Cl)ncn2)CC1 ZINC000037379096 558804594 /nfs/dbraw/zinc/80/45/94/558804594.db2.gz NUDJLRADMXTLDQ-UHFFFAOYSA-N 0 0 410.905 4.566 50 0 HJAARN O=C(NCc1cccc(F)c1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983916 558804901 /nfs/dbraw/zinc/80/49/01/558804901.db2.gz YXOGSYSAZFTSGG-MTJSOVHGSA-N 0 0 422.843 4.781 50 0 HJAARN C[C@@H](Cc1ccco1)NC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1cccc(Cl)c1)O2 ZINC000032983989 558805078 /nfs/dbraw/zinc/80/50/78/558805078.db2.gz DLSMILBMGICWTQ-HKMXWPIPSA-N 0 0 422.868 4.666 50 0 HJAARN O=C(NCc1cccc(F)c1)c1ccc2c(c1)NC(=O)/C(=C/c1ccc(Cl)cc1)O2 ZINC000032983649 558805270 /nfs/dbraw/zinc/80/52/70/558805270.db2.gz GAIMAWPHDVZDPG-NHDPSOOVSA-N 0 0 422.843 4.781 50 0 HJAARN Cc1ccccc1Oc1cc(N2CCN(C(=O)c3ccc(Cl)cc3)[C@H](C)C2)ncn1 ZINC000037623730 558806057 /nfs/dbraw/zinc/80/60/57/558806057.db2.gz BSODOBAKFFHCLF-QGZVFWFLSA-N 0 0 422.916 4.582 50 0 HJAARN O=S1(=O)c2ccccc2N[C@H](c2ccccc2Cl)N1Cc1ccccc1F ZINC000032986825 558806764 /nfs/dbraw/zinc/80/67/64/558806764.db2.gz UCZHFNGHQDYLST-FQEVSTJZSA-N 0 0 402.878 4.794 50 0 HJAARN COc1ccc(CN2[C@H](c3cc(C)ccc3C)Nc3ccccc3S2(=O)=O)cc1 ZINC000032986934 558806910 /nfs/dbraw/zinc/80/69/10/558806910.db2.gz COCWEDBECNAQSQ-HSZRJFAPSA-N 0 0 408.523 4.627 50 0 HJAARN COc1cc(-c2nnc(-c3cnc4onc(C5CCCC5)c4c3)o2)cc(OC)c1OC ZINC000071890669 558808111 /nfs/dbraw/zinc/80/81/11/558808111.db2.gz JUOUPPWDHNNOMQ-UHFFFAOYSA-N 0 0 422.441 4.623 50 0 HJAARN Cc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2C)cc1 ZINC000016844922 558808446 /nfs/dbraw/zinc/80/84/46/558808446.db2.gz IGHSFDBBFALXOF-UHFFFAOYSA-N 0 0 421.547 4.701 50 0 HJAARN Cc1ccc(OCc2nc3ccccc3n2C[C@@H](O)COc2ccc(C)cc2C)cc1 ZINC000016903146 558809027 /nfs/dbraw/zinc/80/90/27/558809027.db2.gz XQRXBODTTCVCJZ-OAQYLSRUSA-N 0 0 416.521 4.980 50 0 HJAARN Cc1cc(C)cc(Nc2nc(NC[C@H]3CCCO3)nc3c2cnn3-c2ccccc2)c1 ZINC000017010858 558811645 /nfs/dbraw/zinc/81/16/45/558811645.db2.gz FRNBXZGZZARUNR-HXUWFJFHSA-N 0 0 414.513 4.767 50 0 HJAARN Cc1ccccc1C1=N/C(=C/c2ccc(OC(=O)c3ccccc3F)cc2)C(=O)O1 ZINC000017086189 558816043 /nfs/dbraw/zinc/81/60/43/558816043.db2.gz CEXFEKUNPVHAAB-KGENOOAVSA-N 0 0 401.393 4.698 50 0 HJAARN CCc1c(C)sc2[nH]c(=S)n(-c3ccn(Cc4ccc(Cl)cc4)n3)c(=O)c12 ZINC000017090924 558819569 /nfs/dbraw/zinc/81/95/69/558819569.db2.gz BNMCUWFPRSTLLF-UHFFFAOYSA-N 0 0 416.959 4.879 50 0 HJAARN CCc1cc(C(=O)Nn2c(=O)c3c4c(sc3[nH]c2=S)CCCCCC4)cs1 ZINC000017091975 558820516 /nfs/dbraw/zinc/82/05/16/558820516.db2.gz MICPNNRYUASVSQ-UHFFFAOYSA-N 0 0 419.597 4.787 50 0 HJAARN CCOc1cc2c(cc1OCC)[C@H](c1cc(Br)ccc1OC)CC(=O)N2 ZINC000017092099 558820658 /nfs/dbraw/zinc/82/06/58/558820658.db2.gz XNRDGLCDGUAXMP-CYBMUJFWSA-N 0 0 420.303 4.729 50 0 HJAARN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@]21S[C@@H](C)C(=O)N1c1ccc(F)cc1 ZINC000017093150 558821580 /nfs/dbraw/zinc/82/15/80/558821580.db2.gz HQDGNQITBQJHIH-IZHWHUGBSA-N 0 0 422.525 4.998 50 0 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CC(C)C(=O)Nc1nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc2s1 ZINC000033020318 558836568 /nfs/dbraw/zinc/83/65/68/558836568.db2.gz LEAPMCSXVQLYGR-UHFFFAOYSA-N 0 0 403.891 4.562 50 0 HJAARN Cc1sc(-c2nc(-c3ccc(Cl)cc3)no2)cc1S(=O)(=O)N1CCCCC1 ZINC000046141345 558840016 /nfs/dbraw/zinc/84/00/16/558840016.db2.gz DTAITAOZPMCEPN-UHFFFAOYSA-N 0 0 423.947 4.602 50 0 HJAARN Cc1ccc(-c2nnc(SCC(=O)N(C(C)C)C(C)C)n2-c2ccccc2)cc1 ZINC000033025699 558846424 /nfs/dbraw/zinc/84/64/24/558846424.db2.gz LANABNZUZNOXOZ-UHFFFAOYSA-N 0 0 408.571 4.980 50 0 HJAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccccn3)n2-c2ccccc2)cc1C ZINC000033025608 558846398 /nfs/dbraw/zinc/84/63/98/558846398.db2.gz DGSIKTGKCCKGAB-UHFFFAOYSA-N 0 0 415.522 4.677 50 0 HJAARN CC(=O)c1cccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccc(F)cc2)OC3=O)c1 ZINC000033026899 558847992 /nfs/dbraw/zinc/84/79/92/558847992.db2.gz MVFJFXQUFRXKAX-QFIPXVFZSA-N 0 0 403.409 4.735 50 0 HJAARN C[C@@H](OC(=O)c1c(F)cccc1F)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000011127236 558854478 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HJAARN O=C(OCc1ccccc1)N1CCC2(CN(c3ccc(Cl)cc3F)C(=O)O2)CC1 ZINC000071289274 558865037 /nfs/dbraw/zinc/86/50/37/558865037.db2.gz ASMZRSOXDAQXQW-UHFFFAOYSA-N 0 0 418.852 4.607 50 0 HJAARN Cc1cc(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)ccc1Br ZINC000072330070 558865066 /nfs/dbraw/zinc/86/50/66/558865066.db2.gz IPNRKDAGSAVOML-UHFFFAOYSA-N 0 0 416.193 4.572 50 0 HJAARN COc1ccc(Cc2nnc(SCc3cc(Cl)c4c(c3)OCCCO4)o2)cc1 ZINC000019298114 558866057 /nfs/dbraw/zinc/86/60/57/558866057.db2.gz CZLXEXWTZCXJSA-UHFFFAOYSA-N 0 0 418.902 4.776 50 0 HJAARN Cc1ccc(NC(=O)c2nc3ccccc3n(Cc3cccc(Cl)c3)c2=O)cc1C ZINC000033085929 558870486 /nfs/dbraw/zinc/87/04/86/558870486.db2.gz WOIGZDPVRMVIDG-UHFFFAOYSA-N 0 0 417.896 4.967 50 0 HJAARN CCN(CC)c1nc2ccccc2nc1C(=O)Nc1ccc(Br)c(C)c1 ZINC000033085937 558870606 /nfs/dbraw/zinc/87/06/06/558870606.db2.gz AIMJEMFJQWKLSM-UHFFFAOYSA-N 0 0 413.319 4.799 50 0 HJAARN CCn1c(=O)c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nc2cc(C)c(C)cc21 ZINC000033085918 558870595 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CCc1ccc(NC(=O)CSc2nc(N3CCCCC3)nc3ccccc32)cc1 ZINC000033114720 558876468 /nfs/dbraw/zinc/87/64/68/558876468.db2.gz NFVCHMFTAIQAFH-UHFFFAOYSA-N 0 0 406.555 4.913 50 0 HJAARN Cc1cc(Sc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)n2ncnc2n1 ZINC000033122084 558878966 /nfs/dbraw/zinc/87/89/66/558878966.db2.gz GOPODPMDRLQFPF-UHFFFAOYSA-N 0 0 410.890 4.881 50 0 HJAARN COc1ccccc1OCC(=O)Nc1cccc(C(=O)Nc2c(C)cccc2C)c1 ZINC000055393519 558881164 /nfs/dbraw/zinc/88/11/64/558881164.db2.gz KCNRXHRAUOLZCC-UHFFFAOYSA-N 0 0 404.466 4.582 50 0 HJAARN O=C(Nc1ccc(F)c(Cl)c1)N[C@H](C(=O)N1CCc2ccccc21)c1ccccc1 ZINC000033127842 558881215 /nfs/dbraw/zinc/88/12/15/558881215.db2.gz TWOJPKTYFNUCDW-NRFANRHFSA-N 0 0 423.875 4.931 50 0 HJAARN CCc1ccccc1NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCc2ccccc21 ZINC000033127976 558881413 /nfs/dbraw/zinc/88/14/13/558881413.db2.gz OYECZFPSRRGHHV-HSZRJFAPSA-N 0 0 413.521 4.571 50 0 HJAARN Cc1ccc(-n2nc(SCC(=O)Nc3ccc(C)c(Cl)c3)ccc2=O)cc1C ZINC000033128023 558881434 /nfs/dbraw/zinc/88/14/34/558881434.db2.gz JCKHVHBGCGUAIG-UHFFFAOYSA-N 0 0 413.930 4.542 50 0 HJAARN Cc1ccc(C)c(NC(=O)[C@H](C)Sc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)c1 ZINC000033128093 558881568 /nfs/dbraw/zinc/88/15/68/558881568.db2.gz NALZVDBLTZYJDR-SFHVURJKSA-N 0 0 407.539 4.585 50 0 HJAARN Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)c1 ZINC000033128092 558881619 /nfs/dbraw/zinc/88/16/19/558881619.db2.gz NALZVDBLTZYJDR-GOSISDBHSA-N 0 0 407.539 4.585 50 0 HJAARN COc1ccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)cc1OC ZINC000033128719 558882698 /nfs/dbraw/zinc/88/26/98/558882698.db2.gz JNYDBYNBHGFREI-UHFFFAOYSA-N 0 0 417.465 4.551 50 0 HJAARN Cc1cccc(-c2cc3nc(C[N@@H+](Cc4ccc(F)cc4)CC(C)C)cc(=O)n3[n-]2)c1 ZINC000033126249 558883764 /nfs/dbraw/zinc/88/37/64/558883764.db2.gz YGQQCOGUUYPOSW-UHFFFAOYSA-N 0 0 418.516 4.795 50 0 HJAARN Cc1ccccc1NC(=O)c1cccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000033129943 558885822 /nfs/dbraw/zinc/88/58/22/558885822.db2.gz ZXNAARZITWXNJB-UHFFFAOYSA-N 0 0 420.534 4.699 50 0 HJAARN C[C@@H]1CCC[C@H](N2CC(=O)N(Cc3ccccc3)[C@H](c3ccc(F)cc3)C2=O)[C@@H]1C ZINC000004672419 558886222 /nfs/dbraw/zinc/88/62/22/558886222.db2.gz KKJYDRMDMWYXQU-ITJSVJTHSA-N 0 0 408.517 4.563 50 0 HJAARN Cc1ccc(C)c(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)c1 ZINC000004674628 558886364 /nfs/dbraw/zinc/88/63/64/558886364.db2.gz CSPXEYAJCCWOEN-VWLOTQADSA-N 0 0 419.908 4.964 50 0 HJAARN O=C(NC1CCCC1)c1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000033130317 558886566 /nfs/dbraw/zinc/88/65/66/558886566.db2.gz VTVXXXCBIPUURA-UHFFFAOYSA-N 0 0 420.534 4.827 50 0 HJAARN Cc1ccc(Cn2c(=O)cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c3ccccc32)cc1 ZINC000004675089 558886789 /nfs/dbraw/zinc/88/67/89/558886789.db2.gz YIKJOYWIZLYXQA-SELNLUPBSA-N 0 0 402.538 4.913 50 0 HJAARN CC[C@@H](Sc1nnc(-c2ccc(N)cc2)n1CC)C(=O)Nc1ccc(Cl)cc1 ZINC000004676086 558888524 /nfs/dbraw/zinc/88/85/24/558888524.db2.gz KYKNNESZZDDJBQ-QGZVFWFLSA-N 0 0 415.950 4.710 50 0 HJAARN COc1ccc(OC)c([C@H]2CC(c3c(C)cc(C)[nH]c3=O)=NN2c2ccccc2F)c1 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Cc1cccc(C)c1NC(=O)CN(C)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000058161412 558905524 /nfs/dbraw/zinc/90/55/24/558905524.db2.gz WZDQAAAMTKNMEJ-XMMPIXPASA-N 0 0 419.500 4.693 50 0 HJAARN CCNC(=O)Nc1cccc(NC(=O)c2ccccc2C(=O)c2ccc(C)c(C)c2)c1 ZINC000058162056 558905853 /nfs/dbraw/zinc/90/58/53/558905853.db2.gz DWPUOYDJCKGZAS-UHFFFAOYSA-N 0 0 415.493 4.928 50 0 HJAARN CCN(C(=O)NCc1cccc(OC[C@@H]2CCCO2)c1)[C@H](C)c1ccc(F)cc1 ZINC000058168881 558907722 /nfs/dbraw/zinc/90/77/22/558907722.db2.gz OFKCGBQORNBDEV-VGSWGCGISA-N 0 0 400.494 4.676 50 0 HJAARN CCN(CC)C(=O)[C@@H](c1ccccc1)N(C)Cc1c(C)nn(-c2ccccc2)c1C ZINC000058169942 558907892 /nfs/dbraw/zinc/90/78/92/558907892.db2.gz KSZSJULFRQFJHY-XMMPIXPASA-N 0 0 404.558 4.531 50 0 HJAARN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1cc(Br)cnc1Cl ZINC000058173489 558908575 /nfs/dbraw/zinc/90/85/75/558908575.db2.gz UGJCTLHZZUADPV-UHFFFAOYSA-N 0 0 422.632 4.835 50 0 HJAARN C[C@H](NCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(F)cc1F ZINC000058175426 558909130 /nfs/dbraw/zinc/90/91/30/558909130.db2.gz HXZMDUBNCIFUPB-AWEZNQCLSA-N 0 0 402.441 4.686 50 0 HJAARN COc1ccc(OC)c(N2C(=O)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3C2=O)c1 ZINC000004704038 558913452 /nfs/dbraw/zinc/91/34/52/558913452.db2.gz AQTOLNBAUQORLD-UHFFFAOYSA-N 0 0 417.505 4.972 50 0 HJAARN c1ccc(Oc2cccc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c2)cc1 ZINC000019536131 558913716 /nfs/dbraw/zinc/91/37/16/558913716.db2.gz MCDQFZLGDYZASV-UHFFFAOYSA-N 0 0 402.494 4.525 50 0 HJAARN Cc1c(C(=O)N[C@@H](c2nc(-c3ccncc3)no2)C(C)C)sc2cccc(F)c12 ZINC000058245068 558914489 /nfs/dbraw/zinc/91/44/89/558914489.db2.gz PCQWACRFTSEIRP-QGZVFWFLSA-N 0 0 410.474 4.921 50 0 HJAARN COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2O[C@@H]3c2cccc(OC)c2)cc1 ZINC000004715970 558915497 /nfs/dbraw/zinc/91/54/97/558915497.db2.gz RNEDUQJGXFVNBB-ILBGXUMGSA-N 0 0 416.477 4.955 50 0 HJAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2Cl)n2ncnc2N1 ZINC000004716117 558915689 /nfs/dbraw/zinc/91/56/89/558915689.db2.gz FCZVUAXIZWHITI-KRWDZBQOSA-N 0 0 400.269 4.513 50 0 HJAARN CSc1cccc(NC(=O)CN2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1 ZINC000058268420 558915962 /nfs/dbraw/zinc/91/59/62/558915962.db2.gz PUTHEAICFVTEBG-IBGZPJMESA-N 0 0 408.527 4.624 50 0 HJAARN CC[C@@H](C(=O)Nc1ccccc1C)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251092 558919548 /nfs/dbraw/zinc/91/95/48/558919548.db2.gz UQWYYEJDEVQJFW-KRWDZBQOSA-N 0 0 417.431 4.930 50 0 HJAARN CCOc1ccc(C(=O)c2sc(Nc3ccc(Br)cc3)nc2N)cc1 ZINC000033251599 558919707 /nfs/dbraw/zinc/91/97/07/558919707.db2.gz VTXDIRBYBPJQJQ-UHFFFAOYSA-N 0 0 418.316 4.861 50 0 HJAARN O=C(c1[nH]c2ccccc2c1Cl)N1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000058335584 558920156 /nfs/dbraw/zinc/92/01/56/558920156.db2.gz BDQCDOFADSYMLU-UHFFFAOYSA-N 0 0 402.828 4.835 50 0 HJAARN CCOC(=O)c1ccc(NC(=O)c2ccccc2-c2nc(-c3ccccc3)no2)cc1 ZINC000033252366 558920610 /nfs/dbraw/zinc/92/06/10/558920610.db2.gz IDGKPDIKIYXTJV-UHFFFAOYSA-N 0 0 413.433 4.833 50 0 HJAARN CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)NCc1ccccc1F ZINC000058356726 558921527 /nfs/dbraw/zinc/92/15/27/558921527.db2.gz AQNUPHGDJPUKAH-UHFFFAOYSA-N 0 0 412.484 4.909 50 0 HJAARN Cc1cc(=O)[nH]c(-c2cccc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)c2)n1 ZINC000058363208 558922000 /nfs/dbraw/zinc/92/20/00/558922000.db2.gz AVWCJBZZLIOSJZ-UHFFFAOYSA-N 0 0 423.538 4.594 50 0 HJAARN Cc1cccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000004723981 558922753 /nfs/dbraw/zinc/92/27/53/558922753.db2.gz LKPFLIWDWOCEBW-UHFFFAOYSA-N 0 0 422.550 4.952 50 0 HJAARN O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1csc(Br)c1 ZINC000058377337 558922815 /nfs/dbraw/zinc/92/28/15/558922815.db2.gz CSTXSULVQGCRRT-UHFFFAOYSA-N 0 0 407.314 4.821 50 0 HJAARN CCc1cc(Sc2ccccc2NC(=O)c2ccc(F)cc2)n2nc(C)nc2n1 ZINC000033257095 558924131 /nfs/dbraw/zinc/92/41/31/558924131.db2.gz XWVAPOHRYXPZJL-UHFFFAOYSA-N 0 0 407.474 4.538 50 0 HJAARN CCc1nc(-c2ccc(NC(=O)Nc3c(Cl)cc(OC)cc3OC)cc2)no1 ZINC000033257365 558924271 /nfs/dbraw/zinc/92/42/71/558924271.db2.gz RROCZAKJLDOHJJ-UHFFFAOYSA-N 0 0 402.838 4.614 50 0 HJAARN CCOC(=O)c1ccc(NC(=O)Nc2ccc(-c3noc(C4CCC4)n3)cc2)cc1 ZINC000033257417 558924330 /nfs/dbraw/zinc/92/43/30/558924330.db2.gz CMVLYHSXTDKXAB-UHFFFAOYSA-N 0 0 406.442 4.825 50 0 HJAARN Cc1ccc(C)c(NC(=O)N2CCN(c3ccc(-c4noc(C(C)C)n4)cc3)CC2)c1 ZINC000033258320 558924982 /nfs/dbraw/zinc/92/49/82/558924982.db2.gz CRURDSHWWYVXBG-UHFFFAOYSA-N 0 0 419.529 4.831 50 0 HJAARN CCc1ccc(NC(=O)N2CCN(c3ccc(-c4noc(C(C)C)n4)cc3)CC2)cc1 ZINC000033258316 558925036 /nfs/dbraw/zinc/92/50/36/558925036.db2.gz RSWDPMIBIFHWTC-UHFFFAOYSA-N 0 0 419.529 4.777 50 0 HJAARN Cc1nn(-c2ccc(-c3noc(C4CCC4)n3)cc2)cc1C(=O)Nc1ccc(F)cc1 ZINC000033258577 558925555 /nfs/dbraw/zinc/92/55/55/558925555.db2.gz HQDKSZGOOOJZOC-UHFFFAOYSA-N 0 0 417.444 4.890 50 0 HJAARN CCc1nc(-c2ccc(-n3cc(C(=O)Nc4cccc(CC)c4)c(C)n3)cc2)no1 ZINC000033258542 558925557 /nfs/dbraw/zinc/92/55/57/558925557.db2.gz MTJGNQPOVOXYEK-UHFFFAOYSA-N 0 0 401.470 4.608 50 0 HJAARN Cc1cccc(Cc2cnc(NC(=O)Cn3ccc(C(F)(F)F)n3)s2)c1Cl ZINC000058649095 558929178 /nfs/dbraw/zinc/92/91/78/558929178.db2.gz KHBXBZJCYXFZES-UHFFFAOYSA-N 0 0 414.840 4.550 50 0 HJAARN CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CCC[C@@H]3C(=O)Nc3nccs3)cc2C1 ZINC000058779509 558930024 /nfs/dbraw/zinc/93/00/24/558930024.db2.gz RYOKLJWBGKMFPV-HUUCEWRRSA-N 0 0 417.600 4.599 50 0 HJAARN O=C(C[C@@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccccc1Cl ZINC000072193872 558931073 /nfs/dbraw/zinc/93/10/73/558931073.db2.gz XBUQAVFKFHAQPA-VWLOTQADSA-N 0 0 419.908 4.780 50 0 HJAARN CCc1ccc(-c2ccc(SCc3nc(-c4ccc5c(c4)OCO5)no3)nn2)cc1 ZINC000033262469 558931297 /nfs/dbraw/zinc/93/12/97/558931297.db2.gz NHWOUROXQNCQQX-UHFFFAOYSA-N 0 0 418.478 4.777 50 0 HJAARN O=C(Nc1nncs1)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 ZINC000072400955 558935513 /nfs/dbraw/zinc/93/55/13/558935513.db2.gz BKGSBGZSJPSVBF-IBGZPJMESA-N 0 0 424.570 4.752 50 0 HJAARN CCCOc1ccc(C(=O)CCNc2ccc(N3CCOCC3)c(Cl)c2)cc1 ZINC000019626875 558947329 /nfs/dbraw/zinc/94/73/29/558947329.db2.gz AANGPOJJJPNVRB-UHFFFAOYSA-N 0 0 402.922 4.650 50 0 HJAARN O=C(/C=C1\Sc2ccc(C(F)(F)F)cc2NC1=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000096422961 558948348 /nfs/dbraw/zinc/94/83/48/558948348.db2.gz RYQWHLXNDGOOPJ-DENUEPKPSA-N 0 0 410.461 4.815 50 0 HJAARN O=C(CCNc1ncnc2c3ccccc3oc21)Nc1ccc(Br)cc1 ZINC000071964543 558949078 /nfs/dbraw/zinc/94/90/78/558949078.db2.gz AJKHLQMAVDXLOK-UHFFFAOYSA-N 0 0 411.259 4.579 50 0 HJAARN Cc1ccc(-c2nn([C@@H](C)C(=O)Nc3c(C)cccc3C)c(=O)c3c2CCCC3)cc1 ZINC000021783785 558949405 /nfs/dbraw/zinc/94/94/05/558949405.db2.gz FJTGUOHOTLUBHE-IBGZPJMESA-N 0 0 415.537 4.914 50 0 HJAARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@H](c2cc(F)ccc2F)CC(=O)N3)cc1 ZINC000021784977 558949930 /nfs/dbraw/zinc/94/99/30/558949930.db2.gz ZBZJFCHLEYVMHP-HNNXBMFYSA-N 0 0 413.449 4.535 50 0 HJAARN CCN1c2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000097944091 558950964 /nfs/dbraw/zinc/95/09/64/558950964.db2.gz WFGXVVDMOHMCIU-IBGZPJMESA-N 0 0 417.431 4.750 50 0 HJAARN CC(C)CCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021809685 558953095 /nfs/dbraw/zinc/95/30/95/558953095.db2.gz CTWFMMKHIFKNFS-HSZRJFAPSA-N 0 0 415.603 4.802 50 0 HJAARN O=C(CSCc1cc(=O)c2cc(F)ccc2[nH]1)Nc1cccc(C(F)(F)F)c1 ZINC000033063868 558956803 /nfs/dbraw/zinc/95/68/03/558956803.db2.gz HEDSGBDPSQNEMO-UHFFFAOYSA-N 0 0 410.392 4.558 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)CSCc1cc(=O)c2cc(C)cc(C)c2[nH]1 ZINC000033064076 558956941 /nfs/dbraw/zinc/95/69/41/558956941.db2.gz WRZHOKOMQGZCLA-UHFFFAOYSA-N 0 0 416.930 4.679 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)CSCc1cc(=O)c2ccc(C)c(C)c2[nH]1 ZINC000033064048 558956958 /nfs/dbraw/zinc/95/69/58/558956958.db2.gz NKFWHTIBESVZMS-UHFFFAOYSA-N 0 0 416.930 4.679 50 0 HJAARN Cc1cc(C)c2[nH]c(CSCC(=O)Nc3cc(Cl)ccc3C)cc(=O)c2c1 ZINC000033064071 558956973 /nfs/dbraw/zinc/95/69/73/558956973.db2.gz YETRRGCLZAORQB-UHFFFAOYSA-N 0 0 400.931 4.979 50 0 HJAARN CC(C)NC(=O)NCc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000021871163 558959824 /nfs/dbraw/zinc/95/98/24/558959824.db2.gz RGVCIOLXNMUUKY-UHFFFAOYSA-N 0 0 403.482 4.939 50 0 HJAARN Cc1nc(-n2nc(C)c(CC(=O)Nc3cccc(C(F)(F)F)c3)c2C)sc1C ZINC000064790303 558965606 /nfs/dbraw/zinc/96/56/06/558965606.db2.gz ARSJYPVXWBCNND-UHFFFAOYSA-N 0 0 408.449 4.762 50 0 HJAARN Fc1ccc(N2CCN(c3nccn4nc(-c5cccc(Cl)c5)cc34)CC2)cc1 ZINC000064958679 558968020 /nfs/dbraw/zinc/96/80/20/558968020.db2.gz JDVRKNDKEGEWEW-UHFFFAOYSA-N 0 0 407.880 4.515 50 0 HJAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC[C@H]2c2ccccc2Cl)cc1 ZINC000064983950 558968260 /nfs/dbraw/zinc/96/82/60/558968260.db2.gz ZLGPHSINQJEYMU-FQEVSTJZSA-N 0 0 406.935 4.604 50 0 HJAARN CCOC(=O)c1sc2nc(-c3ccc(OC)c(O)c3)c(NC3CCCC3)n2c1C ZINC000065318770 558971150 /nfs/dbraw/zinc/97/11/50/558971150.db2.gz URTOORHJRHOEGQ-UHFFFAOYSA-N 0 0 415.515 4.617 50 0 HJAARN COc1ccc(C)cc1NC(=O)c1cnc2c(-c3cccc(C)c3)c(C)nn2c1C ZINC000021914503 558971463 /nfs/dbraw/zinc/97/14/63/558971463.db2.gz MUWAHZRZDWOQFQ-UHFFFAOYSA-N 0 0 400.482 4.891 50 0 HJAARN CC(C)(C)[C@H](NC(=O)c1cc(-c2ccccc2)on1)c1nc(-c2ccccc2)no1 ZINC000334161516 558980443 /nfs/dbraw/zinc/98/04/43/558980443.db2.gz BMYKNDKZNDVAIF-LJQANCHMSA-N 0 0 402.454 4.909 50 0 HJAARN CCOc1ccc(CN(Cc2ccccc2)Cc2cc(=O)n3c(C)csc3n2)cc1 ZINC000033069026 558982728 /nfs/dbraw/zinc/98/27/28/558982728.db2.gz PAHBMCSMDFSTIE-UHFFFAOYSA-N 0 0 419.550 4.666 50 0 HJAARN Cc1c2nc(N(CCN3CCOCC3)C(=O)C3CCCCC3)sc2ccc1Cl ZINC000022998754 558984547 /nfs/dbraw/zinc/98/45/47/558984547.db2.gz ICRAWGADPLUBJB-UHFFFAOYSA-N 0 0 421.994 4.504 50 0 HJAARN CCNC(=O)N1CCC[C@H](c2cccc(C(=O)N[C@H](C)c3ccc(C)cc3C)c2)C1 ZINC000033264190 558984697 /nfs/dbraw/zinc/98/46/97/558984697.db2.gz FWAHCBSRCHMKKH-KNQAVFIVSA-N 0 0 407.558 4.703 50 0 HJAARN CC(=O)Nc1ccc(CCc2nc3cc(C(=O)Nc4ccc(F)cc4)ccc3[nH]2)cc1 ZINC000033264764 558985106 /nfs/dbraw/zinc/98/51/06/558985106.db2.gz JXEAUGMPEZVCOR-UHFFFAOYSA-N 0 0 416.456 4.698 50 0 HJAARN CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CCc2ccccc2)nc1C ZINC000011231971 558987207 /nfs/dbraw/zinc/98/72/07/558987207.db2.gz DUNYKVBSFYRUJE-UHFFFAOYSA-N 0 0 408.523 4.794 50 0 HJAARN COc1ccc2[nH]cc(CCNC(=O)c3cc(-c4ccccn4)nc4ccccc43)c2c1 ZINC000033267221 558989185 /nfs/dbraw/zinc/98/91/85/558989185.db2.gz HPNGRQXDSAXIIM-UHFFFAOYSA-N 0 0 422.488 4.759 50 0 biogenic HJAARN COc1ccc(OC)c(NC(=O)NC[C@H](c2c[nH]c3ccccc32)c2cccnc2)c1 ZINC000033267697 558990113 /nfs/dbraw/zinc/99/01/13/558990113.db2.gz RSDMSVKDLPDGTL-IBGZPJMESA-N 0 0 416.481 4.534 50 0 HJAARN COc1ccc(-c2cnn3c2nc(C)cc3SCC(=O)Nc2ccc(F)cc2)cc1 ZINC000033269016 558993585 /nfs/dbraw/zinc/99/35/85/558993585.db2.gz KHKIIIJYKRDVKI-UHFFFAOYSA-N 0 0 422.485 4.583 50 0 HJAARN CN(C)c1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](C(C)(C)C)C2)cc1 ZINC000097105881 558993954 /nfs/dbraw/zinc/99/39/54/558993954.db2.gz CGCWRVPZTUNZKJ-FQEVSTJZSA-N 0 0 419.978 4.619 50 0 HJAARN Cc1ccc(NC(=O)N2CC[C@H](n3c(-c4ccco4)nc4cccnc43)C2)cc1F ZINC000097139670 558996744 /nfs/dbraw/zinc/99/67/44/558996744.db2.gz UXVXSLOCICTOMT-INIZCTEOSA-N 0 0 405.433 4.618 50 0 HJAARN COc1ccc(-c2csc3c2ncn(Cc2cccc(Cl)c2)c3=O)cc1OC ZINC000023126661 559014050 /nfs/dbraw/zinc/01/40/50/559014050.db2.gz IEWQFJLVAVJNOE-UHFFFAOYSA-N 0 0 412.898 4.844 50 0 HJAARN O=C(c1cccc2ccccc21)N1CCN(Cc2nc(-c3ccco3)cs2)CC1 ZINC000023137288 559019019 /nfs/dbraw/zinc/01/90/19/559019019.db2.gz YHGOURDGGJOEFS-UHFFFAOYSA-N 0 0 403.507 4.514 50 0 HJAARN Cc1c([C@H]2c3ccccc3C(=O)N2CC(=O)Nc2ccccc2)c2ccccc2n1C ZINC000004734665 559034097 /nfs/dbraw/zinc/03/40/97/559034097.db2.gz ULNNEQHETLXEPJ-RUZDIDTESA-N 0 0 409.489 4.671 50 0 HJAARN CCc1ccccc1NC(=O)c1cn(-c2cc(-c3noc(C)n3)ccc2C)nc1C ZINC000033275264 559034727 /nfs/dbraw/zinc/03/47/27/559034727.db2.gz LQFMIMTZLGHSIG-UHFFFAOYSA-N 0 0 401.470 4.662 50 0 HJAARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)c1cc(F)cc(F)c1 ZINC000033288146 559044254 /nfs/dbraw/zinc/04/42/54/559044254.db2.gz ROFOQZFARAAIDF-UHFFFAOYSA-N 0 0 405.404 4.533 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)CSc2nccnc2Sc2cccc(C)c2)cc1 ZINC000033289068 559044471 /nfs/dbraw/zinc/04/44/71/559044471.db2.gz WCIQMLUKUGJEIV-UHFFFAOYSA-N 0 0 424.551 4.625 50 0 HJAARN CCOc1ccc(NC(=O)CCc2nc(-c3ccc(N4CCCCC4)cc3)no2)cc1 ZINC000033283587 559045247 /nfs/dbraw/zinc/04/52/47/559045247.db2.gz LVEDVQJHBSQRBN-UHFFFAOYSA-N 0 0 420.513 4.697 50 0 HJAARN O=C(NCCC1=CCCCC1)[C@@H]1CCCN(c2ncnc3c4ccccc4oc32)C1 ZINC000033290481 559045424 /nfs/dbraw/zinc/04/54/24/559045424.db2.gz FEPCACYUNHRBHN-GOSISDBHSA-N 0 0 404.514 4.599 50 0 HJAARN COc1ccc(-c2c[nH]c3c2ncnc3SCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000033291874 559045981 /nfs/dbraw/zinc/04/59/81/559045981.db2.gz FHSGPSCZQPPCMP-UHFFFAOYSA-N 0 0 418.522 4.981 50 0 HJAARN Cc1coc2cc3oc(=O)c(CCC(=O)NCCc4ccc(F)cc4)c(C)c3cc12 ZINC000004743734 559046275 /nfs/dbraw/zinc/04/62/75/559046275.db2.gz QPUNMZYUWINDND-UHFFFAOYSA-N 0 0 407.441 4.587 50 0 HJAARN Cc1cc(C)c(C)c(C2=NON3N(C(=O)c4ccc(F)cc4)c4ccccc4N23)c1C ZINC000004746483 559046612 /nfs/dbraw/zinc/04/66/12/559046612.db2.gz IEJMUXPEYWWINT-UHFFFAOYSA-N 0 0 416.456 4.965 50 0 HJAARN COc1ccc(CNS(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)cc1 ZINC000033297773 559047599 /nfs/dbraw/zinc/04/75/99/559047599.db2.gz RACCQYLBESJJRO-UHFFFAOYSA-N 0 0 422.597 4.656 50 0 HJAARN Cc1ccc(CNS(=O)(=O)c2cc(-c3nc(CC(C)C)cs3)cs2)cc1 ZINC000033297741 559047605 /nfs/dbraw/zinc/04/76/05/559047605.db2.gz RCVKRNGJDOCQLX-UHFFFAOYSA-N 0 0 406.598 4.857 50 0 HJAARN Cc1cccc(CNS(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)c1 ZINC000033297849 559047723 /nfs/dbraw/zinc/04/77/23/559047723.db2.gz WOINMCGLXDCNHT-UHFFFAOYSA-N 0 0 406.598 4.956 50 0 HJAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NC1CCCCCC1 ZINC000033299204 559048346 /nfs/dbraw/zinc/04/83/46/559048346.db2.gz UEBRXNSWPBPHFM-UHFFFAOYSA-N 0 0 416.465 4.924 50 0 HJAARN COc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000033293730 559048694 /nfs/dbraw/zinc/04/86/94/559048694.db2.gz LKLUDDIWNZLRGF-CXUHLZMHSA-N 0 0 422.275 4.833 50 0 HJAARN Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1ccccc1C ZINC000033299260 559049265 /nfs/dbraw/zinc/04/92/65/559049265.db2.gz NTKJJEUVXFHCIP-UHFFFAOYSA-N 0 0 402.419 4.840 50 0 HJAARN COc1cccc(-c2noc(CCCC(=O)Nc3cccc(C(F)(F)F)c3)n2)c1 ZINC000004753294 559049484 /nfs/dbraw/zinc/04/94/84/559049484.db2.gz FWQPMKWUOWETKF-UHFFFAOYSA-N 0 0 405.376 4.725 50 0 HJAARN Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCc1ccc(C)cc1 ZINC000033299251 559050634 /nfs/dbraw/zinc/05/06/34/559050634.db2.gz CAOXSKPHGBYHCO-UHFFFAOYSA-N 0 0 416.446 4.517 50 0 HJAARN OCc1cnc(SCc2ccc(Br)cc2)n1CCc1ccccc1 ZINC000004753813 559050723 /nfs/dbraw/zinc/05/07/23/559050723.db2.gz XXIMLILMESLBSO-UHFFFAOYSA-N 0 0 403.345 4.673 50 0 HJAARN CN(C(=O)CSc1cc(NCc2ccc(Cl)cc2)ncn1)C1CCCCC1 ZINC000033301478 559050933 /nfs/dbraw/zinc/05/09/33/559050933.db2.gz IRHLIQAUFXSGJZ-UHFFFAOYSA-N 0 0 404.967 4.625 50 0 HJAARN CCc1ccc(Oc2cc(N3CCC(C(=O)N[C@H]4CCCC[C@H]4C)CC3)ncn2)cc1 ZINC000033311974 559054697 /nfs/dbraw/zinc/05/46/97/559054697.db2.gz ZIKAISIEGXXOFF-GCJKJVERSA-N 0 0 422.573 4.743 50 0 HJAARN CCc1ccc(Oc2cc(N3CCC(C(=O)NC4CCCCCC4)CC3)ncn2)cc1 ZINC000033311976 559054787 /nfs/dbraw/zinc/05/47/87/559054787.db2.gz LQYUMFPQPRPFBA-UHFFFAOYSA-N 0 0 422.573 4.887 50 0 HJAARN C[C@@H](Sc1nnc(-c2cc3ccccc3n2C)o1)C(=O)NCCC1=CCCCC1 ZINC000033317970 559055765 /nfs/dbraw/zinc/05/57/65/559055765.db2.gz CBDKNHFPZRAKDV-OAHLLOKOSA-N 0 0 410.543 4.716 50 0 HJAARN C[C@@H](C(=O)NC1CC1)n1c(Cc2ccc(F)cc2)nc2cc(Cl)c(Cl)cc21 ZINC000085407313 559056699 /nfs/dbraw/zinc/05/66/99/559056699.db2.gz BLAJWERVZROZBO-NSHDSACASA-N 0 0 406.288 4.913 50 0 HJAARN O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CCc2cc(-c3ccncc3)ccc21 ZINC000585146968 559057531 /nfs/dbraw/zinc/05/75/31/559057531.db2.gz ICWQXXWQMVIQOR-UHFFFAOYSA-N 0 0 418.440 4.660 50 0 HJAARN Cc1nn(-c2nc(CC(=O)Nc3ccccc3)cs2)c(C)c1Cc1cccc(F)c1 ZINC000033320725 559057801 /nfs/dbraw/zinc/05/78/01/559057801.db2.gz WRLKXSUEFHIMGR-UHFFFAOYSA-N 0 0 420.513 4.857 50 0 HJAARN COC(=O)c1c(NC(=O)C2=Cc3cc(C)ccc3OC=C2)sc2c1CC[C@@H](C)C2 ZINC000033321279 559058013 /nfs/dbraw/zinc/05/80/13/559058013.db2.gz BIZYWILXPXGNII-CQSZACIVSA-N 0 0 409.507 4.896 50 0 HJAARN COc1ccc(CC(=O)n2nc(-c3ccccc3)nc2NCc2cccs2)cc1 ZINC000004777272 559060821 /nfs/dbraw/zinc/06/08/21/559060821.db2.gz NQPXQSAHIDPOHQ-UHFFFAOYSA-N 0 0 404.495 4.510 50 0 HJAARN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)OCc3coc(-c4ccccc4)n3)c12 ZINC000023219972 559062336 /nfs/dbraw/zinc/06/23/36/559062336.db2.gz GNJIUCRKEXOOHW-UHFFFAOYSA-N 0 0 424.460 4.956 50 0 HJAARN O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1nc2ccccc2s1 ZINC000002468303 559062653 /nfs/dbraw/zinc/06/26/53/559062653.db2.gz NFAULXXIZKBKPY-UHFFFAOYSA-N 0 0 400.916 4.866 50 0 HJAARN COc1cc(C(F)(F)F)ccc1C(=O)Nc1ccccc1C(=O)N1CCCC[C@@H]1C ZINC000004783881 559062868 /nfs/dbraw/zinc/06/28/68/559062868.db2.gz NZDIHMFEOJAYGN-AWEZNQCLSA-N 0 0 420.431 4.981 50 0 HJAARN Cc1nnc(SCC(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)s1 ZINC000098086789 559065109 /nfs/dbraw/zinc/06/51/09/559065109.db2.gz SZUGAMFPMJAZKC-UHFFFAOYSA-N 0 0 406.602 4.502 50 0 HJAARN COc1cc(C(=O)O[C@@H](C)C(=O)c2c(C)[nH]c3ccccc32)cc(Cl)c1OC ZINC000004799779 559066634 /nfs/dbraw/zinc/06/66/34/559066634.db2.gz MSIZCADYCRWORV-LBPRGKRZSA-N 0 0 401.846 4.575 50 0 HJAARN CC(C)(C)[C@H]1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(S)n32)C1 ZINC000006166614 559067347 /nfs/dbraw/zinc/06/73/47/559067347.db2.gz PPOYNLBIOQUTIK-LBPRGKRZSA-N 0 0 410.568 4.535 50 0 HJAARN COc1ccc2c(C)c(C(=O)N(Cc3cnn(-c4ccccc4)c3)C3CC3)oc2c1 ZINC000091943436 559074713 /nfs/dbraw/zinc/07/47/13/559074713.db2.gz QJFUFEKCZWLOGF-UHFFFAOYSA-N 0 0 401.466 4.740 50 0 HJAARN COc1cc(NC(=O)CCc2ccc(-c3ccccc3F)o2)ccc1N1CCCC1=O ZINC000011447159 559076479 /nfs/dbraw/zinc/07/64/79/559076479.db2.gz NKXYHEVNKLXSKZ-UHFFFAOYSA-N 0 0 422.456 4.792 50 0 HJAARN O=C(CSc1nnc(CC2CCCC2)[nH]1)Nc1c(Cl)cccc1C(F)(F)F ZINC000011499811 559078612 /nfs/dbraw/zinc/07/86/12/559078612.db2.gz ATTMQMDZKQIMPQ-UHFFFAOYSA-N 0 0 418.872 4.940 50 0 HJAARN CC(C)(C)OC(=O)N1CCN(c2c(Br)cccc2C(F)(F)F)CC1 ZINC000095081628 559079279 /nfs/dbraw/zinc/07/92/79/559079279.db2.gz TUCSYLUFUDHKLC-UHFFFAOYSA-N 0 0 409.246 4.525 50 0 HJAARN CC[S@](=O)c1nc(-c2cccc(OCc3ccccc3)c2)cc(C(F)(F)F)n1 ZINC000095099976 559079298 /nfs/dbraw/zinc/07/92/98/559079298.db2.gz NTDFYGSSDDMNHI-MUUNZHRXSA-N 0 0 406.429 4.869 50 0 in-vitro HJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)c2cccc(C)c2)cc1 ZINC000006204947 559081053 /nfs/dbraw/zinc/08/10/53/559081053.db2.gz KXGJUEAXFMAGNO-UHFFFAOYSA-N 0 0 422.550 4.754 50 0 HJAARN O=C(CNc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(N2CCCC2=O)cc1 ZINC000011550014 559089203 /nfs/dbraw/zinc/08/92/03/559089203.db2.gz BVUISCHZWDMGQS-UHFFFAOYSA-N 0 0 411.811 4.536 50 0 HJAARN Cc1ccc(-c2csc3ncn(CCC(=O)Nc4ccc(F)cc4)c(=O)c23)cc1 ZINC000011595057 559112821 /nfs/dbraw/zinc/11/28/21/559112821.db2.gz GCJDTIVMJNTOFV-UHFFFAOYSA-N 0 0 407.470 4.601 50 0 HJAARN COc1ccc([C@@H]2C[C@H](c3ccccc3)N(C(=O)c3ccccc3)c3ncnn32)cc1 ZINC000004816745 559114371 /nfs/dbraw/zinc/11/43/71/559114371.db2.gz VEGAOXVSBYYXBE-PKTZIBPZSA-N 0 0 410.477 4.668 50 0 HJAARN COc1ccc([C@H]2C[C@H](c3ccc(C)cc3)N(C(=O)CC(C)C)c3ncnn32)cc1 ZINC000004816770 559114528 /nfs/dbraw/zinc/11/45/28/559114528.db2.gz UBRWMZYVDYHFOL-FGZHOGPDSA-N 0 0 404.514 4.709 50 0 HJAARN CCCCC(=O)N1c2ncnn2[C@@H](c2ccccc2OC)C[C@H]1c1ccc(OC)cc1 ZINC000004817000 559115119 /nfs/dbraw/zinc/11/51/19/559115119.db2.gz BLEBZGPLOOWERG-LEWJYISDSA-N 0 0 420.513 4.553 50 0 HJAARN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C)cc1Cl ZINC000046418950 559115236 /nfs/dbraw/zinc/11/52/36/559115236.db2.gz BEFJWKUSDBXFPD-QGZVFWFLSA-N 0 0 407.297 4.554 50 0 HJAARN Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)cc1 ZINC000023314238 559115876 /nfs/dbraw/zinc/11/58/76/559115876.db2.gz SPOABIBBNIGJLC-GJZUVCINSA-N 0 0 414.549 4.696 50 0 HJAARN COc1ccc(NC=C2c3ccc(OC)cc3C(=O)N(c3ccccc3C)C2=O)cc1 ZINC000097831254 559123027 /nfs/dbraw/zinc/12/30/27/559123027.db2.gz XJBPIUBVPWTYOH-PXLXIMEGSA-N 0 0 414.461 4.652 50 0 HJAARN CCOC(=O)c1ccc2c(c1)nc(SCc1cccc(C)c1F)n2CCOC ZINC000023319900 559125765 /nfs/dbraw/zinc/12/57/65/559125765.db2.gz MVFLRSPUZAFHSO-UHFFFAOYSA-N 0 0 402.491 4.599 50 0 HJAARN O=C(Cc1ccc(F)cc1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023319985 559125838 /nfs/dbraw/zinc/12/58/38/559125838.db2.gz ZISROHJEUGYEBR-RUZDIDTESA-N 0 0 422.931 4.955 50 0 HJAARN COc1ccc(CCNC(=O)c2c(C)noc2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000023320058 559125843 /nfs/dbraw/zinc/12/58/43/559125843.db2.gz GWONGGZXXYNIKD-UHFFFAOYSA-N 0 0 420.387 4.530 50 0 biogenic HJAARN CC(C)CN(CC(C)C)S(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098072986 559126600 /nfs/dbraw/zinc/12/66/00/559126600.db2.gz FYTBCORWAYWVJK-UHFFFAOYSA-N 0 0 416.303 4.771 50 0 HJAARN CCOc1ccc(C[C@@H]2c3cc(Br)ccc3N(C)C2=O)cc1OCC ZINC000101014116 559142702 /nfs/dbraw/zinc/14/27/02/559142702.db2.gz FTDRPWCFCXRNDO-MRXNPFEDSA-N 0 0 404.304 4.549 50 0 HJAARN Cc1cc(C)cc(C(=O)Nc2cccc(-c3ccc4nnc(-c5cccnc5)n4n3)c2)c1 ZINC000011665552 559143814 /nfs/dbraw/zinc/14/38/14/559143814.db2.gz MBCAJJWPKYLKJG-UHFFFAOYSA-N 0 0 420.476 4.722 50 0 HJAARN Cc1ccc(-c2nnc(S[C@H](C(=O)N3CCCCC3)c3ccccc3)n2C)cc1 ZINC000014077617 559149567 /nfs/dbraw/zinc/14/95/67/559149567.db2.gz TWUSLAQQJTWPBU-FQEVSTJZSA-N 0 0 406.555 4.636 50 0 HJAARN O=C(c1ccco1)N1CCN(CCCCCCOc2cccc3ccccc32)CC1 ZINC000004821869 559149973 /nfs/dbraw/zinc/14/99/73/559149973.db2.gz QJUINLJHKUJWGD-UHFFFAOYSA-N 0 0 406.526 4.830 50 0 HJAARN O=C(Cn1nnc(-c2ccccc2Cl)n1)Nc1ccc2oc3ccccc3c2c1 ZINC000014128685 559152752 /nfs/dbraw/zinc/15/27/52/559152752.db2.gz QTTYGTTZLNWFGB-UHFFFAOYSA-N 0 0 403.829 4.532 50 0 HJAARN CC(=O)Nc1s/c(=N/c2ccccc2)n(C[C@@H]2CCCO2)c1-c1ccc(C)cc1 ZINC000102856679 559153357 /nfs/dbraw/zinc/15/33/57/559153357.db2.gz FQNHWKWDRRPJAR-XUKXGFMLSA-N 0 0 407.539 4.895 50 0 HJAARN CCCN(CCC)C(=O)c1ccc(-n2nc(-c3nnc(C)o3)cc2C(C)(C)C)cc1 ZINC000023327454 559154843 /nfs/dbraw/zinc/15/48/43/559154843.db2.gz ZLLVHGSZDGAUJY-UHFFFAOYSA-N 0 0 409.534 4.790 50 0 HJAARN Cc1ccc(CN(C)C(=O)c2ccccc2SCC(=O)NCC2CCCCC2)o1 ZINC000014181079 559155010 /nfs/dbraw/zinc/15/50/10/559155010.db2.gz QCXPPQMTEYFKKO-UHFFFAOYSA-N 0 0 414.571 4.649 50 0 HJAARN Cc1nc(SCC(=O)N(c2ccccc2)C2CCCCC2)c(C(N)=O)c(C)c1C ZINC000014200723 559156626 /nfs/dbraw/zinc/15/66/26/559156626.db2.gz SNFSZMIKDMVMHI-UHFFFAOYSA-N 0 0 411.571 4.564 50 0 HJAARN Cc1cc(C)cc(OCCN(C)C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c1 ZINC000014245288 559161898 /nfs/dbraw/zinc/16/18/98/559161898.db2.gz XMJKUTGJZQYHCN-UHFFFAOYSA-N 0 0 406.482 4.608 50 0 HJAARN CC(=O)N1CCc2cc(NC(=O)COc3cc(C(C)C)c(Cl)cc3C)ccc21 ZINC000014345213 559164245 /nfs/dbraw/zinc/16/42/45/559164245.db2.gz LERSZIUQYJMTIZ-UHFFFAOYSA-N 0 0 400.906 4.698 50 0 HJAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](OP(=O)(N5CC5)N5CC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000263621536 559166523 /nfs/dbraw/zinc/16/65/23/559166523.db2.gz XSVDHLSLBYJBSG-LEFKJUFISA-N 0 0 418.518 4.643 50 0 biogenic HJAARN CC(C)n1c(S[C@@H](C)C(=O)Nc2cccnc2)nnc1-c1cc2ccccc2o1 ZINC000072191459 559167375 /nfs/dbraw/zinc/16/73/75/559167375.db2.gz RPOPXKSTLOLYEP-AWEZNQCLSA-N 0 0 407.499 4.787 50 0 HJAARN CCCNC(=O)c1sc(-n2nc(C)c(Cc3ccc(Cl)cc3)c2C)nc1C ZINC000014608891 559170803 /nfs/dbraw/zinc/17/08/03/559170803.db2.gz PAGBHDIEGGMECU-UHFFFAOYSA-N 0 0 402.951 4.638 50 0 HJAARN COc1ccccc1CNc1nc(-c2ccco2)nn1C(=O)c1ccc(Cl)cc1 ZINC000014610905 559171027 /nfs/dbraw/zinc/17/10/27/559171027.db2.gz MZNWBRJLKFWGRW-UHFFFAOYSA-N 0 0 408.845 4.501 50 0 HJAARN O=C(c1ccccc1)n1nc(-c2ccco2)nc1NCc1cccc(Br)c1 ZINC000014610974 559171057 /nfs/dbraw/zinc/17/10/57/559171057.db2.gz JANYGVXVDWIRMO-UHFFFAOYSA-N 0 0 423.270 4.601 50 0 HJAARN COC(=O)c1ccccc1NC(=O)N1CCc2ccccc2[C@H]1c1ccc(C)cc1 ZINC000023332605 559171239 /nfs/dbraw/zinc/17/12/39/559171239.db2.gz VDHRHQZUNUETDS-HSZRJFAPSA-N 0 0 400.478 4.961 50 0 HJAARN CC(=O)Oc1ccc(-c2ccc(C(=O)O[C@@H](C)C(=O)c3ccc(F)c(F)c3)cc2)cc1 ZINC000014674439 559172118 /nfs/dbraw/zinc/17/21/18/559172118.db2.gz MDPAJDWUEQCUJS-AWEZNQCLSA-N 0 0 424.399 4.985 50 0 HJAARN COC(=O)c1ccc(C(=O)N2CCc3ccccc3[C@H]2c2ccccc2Cl)cc1 ZINC000023335691 559172347 /nfs/dbraw/zinc/17/23/47/559172347.db2.gz JHFRPZRQMRPJFA-QFIPXVFZSA-N 0 0 405.881 4.915 50 0 HJAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2)cc1 ZINC000023336139 559172397 /nfs/dbraw/zinc/17/23/97/559172397.db2.gz HVNGLNUEHMDPQZ-DEOSSOPVSA-N 0 0 403.478 4.500 50 0 HJAARN CCCCCNC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000023334740 559172710 /nfs/dbraw/zinc/17/27/10/559172710.db2.gz IEDRVSCDMIEJMI-UHFFFAOYSA-N 0 0 408.498 4.848 50 0 HJAARN COc1ccc(-c2cccc(-n3cncc3C(=O)N3CCCCCCC3)c2)cc1OC ZINC000023334699 559172742 /nfs/dbraw/zinc/17/27/42/559172742.db2.gz USNZJXUNYFIEMB-UHFFFAOYSA-N 0 0 419.525 4.963 50 0 HJAARN CCOC(=O)c1cc(-c2ccccc2C)n(-c2ccc(C(=O)NC(CC)CC)cc2)n1 ZINC000023335090 559172800 /nfs/dbraw/zinc/17/28/00/559172800.db2.gz QRYDVUFBYUQSCX-UHFFFAOYSA-N 0 0 419.525 4.943 50 0 HJAARN O=C(c1cccc(OCc2ccccc2)c1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000023383317 559173667 /nfs/dbraw/zinc/17/36/67/559173667.db2.gz OEANYLUBYBYJIN-VWLOTQADSA-N 0 0 401.506 4.851 50 0 HJAARN O=C(CCc1ccccc1)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1 ZINC000023449902 559174625 /nfs/dbraw/zinc/17/46/25/559174625.db2.gz RJTHVCVTICHNQV-UHFFFAOYSA-N 0 0 422.532 4.578 50 0 HJAARN CN(CCc1ccccn1)C(=O)c1ccc(-c2[nH]nc3c2CCCc2ccccc2-3)cc1 ZINC000023451512 559174799 /nfs/dbraw/zinc/17/47/99/559174799.db2.gz WBRQTTOJLVQZDA-UHFFFAOYSA-N 0 0 422.532 4.942 50 0 HJAARN Cc1nnc(-c2cc(C3CC3)n(-c3cccc(C(=O)N[C@@H](C)c4ccccc4)c3)n2)o1 ZINC000023451638 559174816 /nfs/dbraw/zinc/17/48/16/559174816.db2.gz VQPZJIJSTQZTKR-HNNXBMFYSA-N 0 0 413.481 4.599 50 0 HJAARN COc1cccc(-c2cc(-c3ccc(C(=O)NCc4cc(F)cc(F)c4)cc3)n[nH]2)c1 ZINC000023443631 559175128 /nfs/dbraw/zinc/17/51/28/559175128.db2.gz OBUITNBSPWTTJO-UHFFFAOYSA-N 0 0 419.431 4.961 50 0 HJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccco3)c2)n(-c2cccc(C)c2)n1 ZINC000023455102 559176006 /nfs/dbraw/zinc/17/60/06/559176006.db2.gz UQRVYVADRFNBJU-UHFFFAOYSA-N 0 0 415.449 4.870 50 0 HJAARN COc1ccc2nc(-c3cccc(NC(=O)c4ccc(C(F)(F)F)cc4)c3)cn2n1 ZINC000011693384 559187550 /nfs/dbraw/zinc/18/75/50/559187550.db2.gz FNDQBHJCVMPUIR-UHFFFAOYSA-N 0 0 412.371 4.676 50 0 HJAARN CCc1nc2ccccc2n1CC(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000024028942 559188031 /nfs/dbraw/zinc/18/80/31/559188031.db2.gz FTIGHUMQTBLOEU-UHFFFAOYSA-N 0 0 404.495 4.551 50 0 HJAARN Cc1cc2sc(N(Cc3ccccn3)C(=O)COc3ccccc3)nc2c(C)c1 ZINC000005265326 559189298 /nfs/dbraw/zinc/18/92/98/559189298.db2.gz RXJKROQESPHYGP-UHFFFAOYSA-N 0 0 403.507 4.920 50 0 HJAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CCn1ccc2cccc(OC)c21 ZINC000257198805 559189863 /nfs/dbraw/zinc/18/98/63/559189863.db2.gz IVAPOHXRSOQPLF-OAQYLSRUSA-N 0 0 417.509 4.724 50 0 biogenic HJAARN O=C(Oc1ccccc1/C=C1\N=C(c2ccccc2)OC1=O)c1ccc(Cl)cc1 ZINC000004852756 559191519 /nfs/dbraw/zinc/19/15/19/559191519.db2.gz NQAPUXVLVBZPGY-RGEXLXHISA-N 0 0 403.821 4.904 50 0 HJAARN COC(=O)CSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 ZINC000004869751 559193991 /nfs/dbraw/zinc/19/39/91/559193991.db2.gz ATOKNTZRAWJDKJ-UHFFFAOYSA-N 0 0 407.520 4.660 50 0 HJAARN CCCCCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)cc1 ZINC000004872091 559194533 /nfs/dbraw/zinc/19/45/33/559194533.db2.gz JTVTVEZMTNCSGV-OAQYLSRUSA-N 0 0 409.555 4.687 50 0 HJAARN CC(=O)N(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C1CCCCC1 ZINC000004876076 559195334 /nfs/dbraw/zinc/19/53/34/559195334.db2.gz GFIVOFXMUAEBQT-UHFFFAOYSA-N 0 0 416.562 4.906 50 0 HJAARN Cc1sc2c(c1C)c(=O)n(-c1ccc(Cl)cc1)c(=O)n2Cc1cccc(C)c1 ZINC000004877782 559195624 /nfs/dbraw/zinc/19/56/24/559195624.db2.gz UDOZGRYSIPPUID-UHFFFAOYSA-N 0 0 410.926 4.841 50 0 HJAARN COc1ccccc1-c1cc(C(=O)Nc2c(C)nn(Cc3ccccc3C)c2C)no1 ZINC000004880883 559196437 /nfs/dbraw/zinc/19/64/37/559196437.db2.gz KMRGRNJUDYGSGP-UHFFFAOYSA-N 0 0 416.481 4.773 50 0 HJAARN CCOc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)cc1 ZINC000004882000 559197078 /nfs/dbraw/zinc/19/70/78/559197078.db2.gz GDNGBFFFTXHGQK-ZEQRLZLVSA-N 0 0 412.489 4.561 50 0 HJAARN CCOc1ccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3cccc(C)c3)c2=O)cc1 ZINC000004882479 559197252 /nfs/dbraw/zinc/19/72/52/559197252.db2.gz BXHRGONXSHMHLY-UHFFFAOYSA-N 0 0 420.534 4.586 50 0 HJAARN COc1ccc(NC=C(c2ccc(Cl)nc2)S(=O)(=O)c2ccccc2)cc1 ZINC000100363542 559197743 /nfs/dbraw/zinc/19/77/43/559197743.db2.gz BGGIUMOBTSMCSD-XMHGGMMESA-N 0 0 400.887 4.628 50 0 HJAARN C[C@H](Sc1nncn1-c1ccccc1F)C(=O)c1ccc(Br)cc1 ZINC000004890759 559198297 /nfs/dbraw/zinc/19/82/97/559198297.db2.gz ATXITXPGCRHJQA-NSHDSACASA-N 0 0 406.280 4.532 50 0 HJAARN CCn1cc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)c(C)n1 ZINC000118921978 559205899 /nfs/dbraw/zinc/20/58/99/559205899.db2.gz KQSUPNWTORYXDA-QHLKVLJJSA-N 0 0 412.618 4.969 50 0 HJAARN CC1=Nc2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2Sc2ccccc21 ZINC000004929288 559208349 /nfs/dbraw/zinc/20/83/49/559208349.db2.gz XPCKEUJSQHKPCZ-UHFFFAOYSA-N 0 0 402.475 4.951 50 0 HJAARN CCCN(C[C@@H]1CC(c2ccc(OC)cc2)=NO1)C(=O)c1cccc2ccccc21 ZINC000004928638 559208484 /nfs/dbraw/zinc/20/84/84/559208484.db2.gz BTASFAAKNQJAIG-NRFANRHFSA-N 0 0 402.494 4.894 50 0 HJAARN CCOc1ccc(NC(=O)CCc2c(C)nc3cc(-c4ccccc4)nn3c2C)cc1 ZINC000004935509 559210405 /nfs/dbraw/zinc/21/04/05/559210405.db2.gz FNQLGIDBUWZUSU-UHFFFAOYSA-N 0 0 414.509 4.983 50 0 HJAARN COc1ccc(/N=c2\oc3ccccc3cc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000004937765 559211203 /nfs/dbraw/zinc/21/12/03/559211203.db2.gz DRZOARFHADFDMP-VHXPQNKSSA-N 0 0 405.475 4.815 50 0 HJAARN CC(C)N(C(=O)CSc1nnc([C@H](C)Oc2ccccc2F)o1)c1ccccc1 ZINC000004938122 559211272 /nfs/dbraw/zinc/21/12/72/559211272.db2.gz STEQXFTXKZJJOB-HNNXBMFYSA-N 0 0 415.490 4.882 50 0 HJAARN CCOc1ccc(C(=O)c2cn(Cc3ccccc3)c3ccc(F)cc3c2=O)cc1 ZINC000004936858 559211996 /nfs/dbraw/zinc/21/19/96/559211996.db2.gz MDEJSFZTQZAYAN-UHFFFAOYSA-N 0 0 401.437 4.819 50 0 HJAARN CC1(C)C[C@@H](NC(=O)c2cccc(F)c2)C[C@](C)(CNC(=O)c2cccc(F)c2)C1 ZINC000004948406 559214764 /nfs/dbraw/zinc/21/47/64/559214764.db2.gz LDIXUERNYDPSEP-YKSBVNFPSA-N 0 0 414.496 4.710 50 0 HJAARN Cc1ccc(-n2c(=O)c3cnn(-c4ccccc4C)c3nc2-c2ccco2)cc1F ZINC000004971929 559220967 /nfs/dbraw/zinc/22/09/67/559220967.db2.gz GWVDIUPFQJMXPD-UHFFFAOYSA-N 0 0 400.413 4.587 50 0 HJAARN O=C(COC(=O)c1c2c(nc3ccccc31)CCC2)Nc1cccc(Cl)c1Cl ZINC000004979640 559222673 /nfs/dbraw/zinc/22/26/73/559222673.db2.gz VTQHXFWOVHSAIS-UHFFFAOYSA-N 0 0 415.276 4.826 50 0 HJAARN CCCc1cc(=O)oc2cc(OCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c(Cl)cc12 ZINC000004986113 559224002 /nfs/dbraw/zinc/22/40/02/559224002.db2.gz XJDWDPHHRQPYNA-QWQRMKEZSA-N 0 0 405.922 4.719 50 0 HJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)c1ccc(Br)cc1 ZINC000004985287 559224296 /nfs/dbraw/zinc/22/42/96/559224296.db2.gz KSHRFMSNXRFOIP-UHFFFAOYSA-N 0 0 411.679 4.686 50 0 HJAARN O=C1c2ccccc2[C@H](Nc2ccc(F)c(Cl)c2)N1Cc1ccc2c(c1)OCO2 ZINC000004992155 559224858 /nfs/dbraw/zinc/22/48/58/559224858.db2.gz NXKZTGSIOMXCOS-OAQYLSRUSA-N 0 0 410.832 4.975 50 0 HJAARN CCOC(=O)N1CCC(N2C(=O)c3ccccc3[C@@H]2Nc2ccc(Cl)cc2)CC1 ZINC000004991948 559224887 /nfs/dbraw/zinc/22/48/87/559224887.db2.gz BRZOWPCOUUHCTG-HXUWFJFHSA-N 0 0 413.905 4.527 50 0 HJAARN CC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cccc4ccccc43)=NN12 ZINC000004994823 559225492 /nfs/dbraw/zinc/22/54/92/559225492.db2.gz PMOUPNXSYKTGIO-DEOSSOPVSA-N 0 0 411.505 4.722 50 0 HJAARN Cc1ccc(N(CC(=O)Nc2cc(C)ccc2C)S(=O)(=O)c2cccs2)cc1 ZINC000005005367 559226995 /nfs/dbraw/zinc/22/69/95/559226995.db2.gz OGHPQOIUCOBIKW-UHFFFAOYSA-N 0 0 414.552 4.507 50 0 HJAARN Cc1ccccc1NCC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000005012212 559228056 /nfs/dbraw/zinc/22/80/56/559228056.db2.gz JRQZQICACTZBFB-UHFFFAOYSA-N 0 0 416.344 4.855 50 0 HJAARN COC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)c1ccc(OC)c(OC)c1 ZINC000005024712 559229974 /nfs/dbraw/zinc/22/99/74/559229974.db2.gz MQZIKWGFNMNFLP-UHFFFAOYSA-N 0 0 411.479 4.780 50 0 HJAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccc(OC)c2)cc1 ZINC000005035368 559233061 /nfs/dbraw/zinc/23/30/61/559233061.db2.gz UUSMWMKZMZIFHS-UHFFFAOYSA-N 0 0 416.433 4.955 50 0 HJAARN Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1CCc1ccccc1 ZINC000005047381 559236816 /nfs/dbraw/zinc/23/68/16/559236816.db2.gz BUIGOBLBDXJAHH-UHFFFAOYSA-N 0 0 414.509 4.899 50 0 HJAARN Fc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@@H](c1cccs1)N1NC=NC1=N2 ZINC000005055147 559237534 /nfs/dbraw/zinc/23/75/34/559237534.db2.gz VTYVIMHYEBTTCM-RTWAWAEBSA-N 0 0 402.454 4.691 50 0 HJAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCC(C)C)C(=O)C2CCC2)o1 ZINC000005074818 559240749 /nfs/dbraw/zinc/24/07/49/559240749.db2.gz JTVPWVNXSKBDBZ-UHFFFAOYSA-N 0 0 424.585 4.834 50 0 HJAARN Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccc3ccccc3n2)cs1 ZINC000005079776 559242121 /nfs/dbraw/zinc/24/21/21/559242121.db2.gz DTTKWNAZDKVYAG-UHFFFAOYSA-N 0 0 417.490 4.538 50 0 HJAARN CCOc1ccc2nc(N3CCC(C(=O)NC4CCC(C)CC4)CC3)sc2c1 ZINC000005086096 559242899 /nfs/dbraw/zinc/24/28/99/559242899.db2.gz NHVVMLXXPNNVQQ-UHFFFAOYSA-N 0 0 401.576 4.606 50 0 HJAARN CC(=O)c1cc(-c2ccccc2)n(CC(=O)NCc2ccc(OC(C)C)cc2)c1C ZINC000005134959 559250324 /nfs/dbraw/zinc/25/03/24/559250324.db2.gz LFCZRJQTNHSXLP-UHFFFAOYSA-N 0 0 404.510 4.770 50 0 HJAARN CSc1ccc(CCNC(=O)c2ccc3nc(N4CCCCC4)sc3c2)cc1 ZINC000005144806 559252361 /nfs/dbraw/zinc/25/23/61/559252361.db2.gz RQPUSEBBRUGYMJ-UHFFFAOYSA-N 0 0 411.596 4.981 50 0 HJAARN CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC000011717439 559254827 /nfs/dbraw/zinc/25/48/27/559254827.db2.gz INXPKLNCFQBHJU-UHFFFAOYSA-N 0 0 407.495 4.847 50 0 HJAARN O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2cccs2)cc1)NC1CC1 ZINC000037555522 559254879 /nfs/dbraw/zinc/25/48/79/559254879.db2.gz FELXYDYNZLPKFU-UHFFFAOYSA-N 0 0 408.498 4.555 50 0 HJAARN CC(C)NC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2cccs2)cc1 ZINC000037555476 559254924 /nfs/dbraw/zinc/25/49/24/559254924.db2.gz AAFCVVCGZDGYNM-UHFFFAOYSA-N 0 0 410.514 4.801 50 0 HJAARN COc1cccc(C(=O)N(Cc2ccccc2)c2ccc(CC(=O)NC(C)C)cc2)c1 ZINC000037555762 559255002 /nfs/dbraw/zinc/25/50/02/559255002.db2.gz QGVNZOPFNNSHIS-UHFFFAOYSA-N 0 0 416.521 4.609 50 0 HJAARN CCCN(C)C(=O)Cc1ccc(N(Cc2ccc(C)cc2)C(=O)c2ccco2)cc1 ZINC000037557394 559255284 /nfs/dbraw/zinc/25/52/84/559255284.db2.gz RAIAEVNFWKYZOV-UHFFFAOYSA-N 0 0 404.510 4.846 50 0 HJAARN Cc1noc([C@@H](C)N(C)Cc2cc3cc4c(cc3nc2-c2ccc(F)cc2)OCO4)n1 ZINC000072477549 559257270 /nfs/dbraw/zinc/25/72/70/559257270.db2.gz RKAFNMUPAHYPLA-CYBMUJFWSA-N 0 0 420.444 4.654 50 0 HJAARN Cc1cc(=O)n2c(-c3ccc(NC(=O)Nc4ccc(F)c(F)c4)cc3)csc2n1 ZINC000011770858 559258516 /nfs/dbraw/zinc/25/85/16/559258516.db2.gz RRBGSOICWGIQLN-UHFFFAOYSA-N 0 0 412.421 4.654 50 0 HJAARN CC(C)CCn1c(SCC(=O)N(C)[C@@H](C)c2ccccc2)nc2ccccc2c1=O ZINC000011828994 559260607 /nfs/dbraw/zinc/26/06/07/559260607.db2.gz VLCIPZDYLSXYDU-SFHVURJKSA-N 0 0 423.582 4.754 50 0 HJAARN CCc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCC(C)C ZINC000011829398 559260656 /nfs/dbraw/zinc/26/06/56/559260656.db2.gz FSJZMFHXIPVHRX-UHFFFAOYSA-N 0 0 409.555 4.736 50 0 HJAARN CC[C@@H](C)OC(=O)c1c(N)n(Cc2ccccc2Cl)c2nc3ccccc3nc12 ZINC000005156571 559260749 /nfs/dbraw/zinc/26/07/49/559260749.db2.gz KJXQVXZGKLMETO-CYBMUJFWSA-N 0 0 408.889 4.824 50 0 HJAARN O=C(CCc1csc(NC(=O)c2ccc(Cl)cc2)n1)Nc1ccc(F)cc1 ZINC000011835054 559261002 /nfs/dbraw/zinc/26/10/02/559261002.db2.gz PAZUVHAWAYNMTC-UHFFFAOYSA-N 0 0 403.866 4.759 50 0 HJAARN O=C(CS[C@@H]1CCc2ccccc2NC1=O)NCc1ccc(Cl)cc1Cl ZINC000011865925 559264009 /nfs/dbraw/zinc/26/40/09/559264009.db2.gz NVZAYSZQRNHLCJ-QGZVFWFLSA-N 0 0 409.338 4.946 50 0 HJAARN CCOc1ccc(C(=O)CSc2nnc3cc(C)c4cccc(OC)c4n32)cc1 ZINC000011903245 559265781 /nfs/dbraw/zinc/26/57/81/559265781.db2.gz ZVPOPTYILGURFG-UHFFFAOYSA-N 0 0 407.495 4.573 50 0 HJAARN O=C(Nc1ccccc1)c1nc(SCc2ccccc2)ncc1Br ZINC000011916297 559267309 /nfs/dbraw/zinc/26/73/09/559267309.db2.gz BPYLGDYFCIIPIP-UHFFFAOYSA-N 0 0 400.301 4.784 50 0 HJAARN CC(C)C(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)cc1 ZINC000011915075 559267753 /nfs/dbraw/zinc/26/77/53/559267753.db2.gz ANCZYSLZUQPMCQ-UHFFFAOYSA-N 0 0 408.523 4.677 50 0 HJAARN Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 ZINC000011918095 559268095 /nfs/dbraw/zinc/26/80/95/559268095.db2.gz KIIUSJUHNMBBIV-UHFFFAOYSA-N 0 0 422.510 4.596 50 0 HJAARN COC(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 ZINC000011923383 559268513 /nfs/dbraw/zinc/26/85/13/559268513.db2.gz OAHJWENAFIJPDE-UHFFFAOYSA-N 0 0 417.490 4.699 50 0 HJAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCc1cccc(NC(=O)C2CC2)c1 ZINC000011966543 559269497 /nfs/dbraw/zinc/26/94/97/559269497.db2.gz MMHIRHPCOPJOSZ-UHFFFAOYSA-N 0 0 423.900 4.593 50 0 HJAARN Cc1ncsc1CCN(C)C(=O)c1c(C)n(-c2ccccc2)nc1-c1ccccc1 ZINC000426538466 559274577 /nfs/dbraw/zinc/27/45/77/559274577.db2.gz UPOWBVAOWZDZHW-UHFFFAOYSA-N 0 0 416.550 4.927 50 0 HJAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C\c3ccc(F)cc3)c2C(N)=O)C1 ZINC000033872230 559275816 /nfs/dbraw/zinc/27/58/16/559275816.db2.gz ASFVAALVCLFLLJ-KGBIHWOQSA-N 0 0 400.519 4.789 50 0 HJAARN O=C(c1ccc(Cl)cc1)N1NC(C(F)(F)F)=C[C@]1(O)c1ccc(Cl)cc1 ZINC000000820286 559281078 /nfs/dbraw/zinc/28/10/78/559281078.db2.gz CHWCOMQDIHNLNM-INIZCTEOSA-N 0 0 403.187 4.603 50 0 HJAARN Cc1ccccc1-c1nc2scc(CCNC(=O)c3c(F)cccc3Cl)n2n1 ZINC000005166489 559282086 /nfs/dbraw/zinc/28/20/86/559282086.db2.gz IIZHZOBBBXHLFS-UHFFFAOYSA-N 0 0 414.893 4.531 50 0 HJAARN CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)N[C@H]3CCCc4ccccc43)o2)cc1 ZINC000005170159 559287540 /nfs/dbraw/zinc/28/75/40/559287540.db2.gz NPDGFNDSKBFXBT-YWZLYKJASA-N 0 0 423.538 4.810 50 0 HJAARN O=c1oc2ccc(Cl)cc2cc1-c1nnc(-c2cccc(Br)c2)o1 ZINC000005172585 559287921 /nfs/dbraw/zinc/28/79/21/559287921.db2.gz VHJFYGSBPWRXEL-UHFFFAOYSA-N 0 0 403.619 4.926 50 0 HJAARN C[C@@H](NC(=O)CSc1nn(-c2ccc(F)cc2)c(=S)s1)c1ccccc1 ZINC000005176095 559288745 /nfs/dbraw/zinc/28/87/45/559288745.db2.gz BVTBKDBXPZZMBZ-GFCCVEGCSA-N 0 0 405.545 4.772 50 0 HJAARN Cc1cc2nc(N3CCN(C(=O)c4ccc(OC(C)C)cc4)CC3)sc2c(C)c1 ZINC000005182237 559289938 /nfs/dbraw/zinc/28/99/38/559289938.db2.gz BVVPUEMJFQPWBR-UHFFFAOYSA-N 0 0 409.555 4.663 50 0 HJAARN C[C@H](Sc1nc2c(n1-c1ccccc1)CCCC2)c1nc2ccccc2c(=O)[nH]1 ZINC000005184643 559290564 /nfs/dbraw/zinc/29/05/64/559290564.db2.gz OPCAVQMDCZKSKH-HNNXBMFYSA-N 0 0 402.523 4.841 50 0 HJAARN 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ZINC000006708131 568457932 /nfs/dbraw/zinc/45/79/32/568457932.db2.gz RIWLWIIUYCQADC-UHFFFAOYSA-N 0 0 411.521 4.539 50 0 HJAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000024714690 568457958 /nfs/dbraw/zinc/45/79/58/568457958.db2.gz MCKABKNQIKQUGR-MRXNPFEDSA-N 0 0 414.534 4.928 50 0 HJAARN CC[C@@H](C)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)C(=O)c1ccc(F)cc1 ZINC000006722994 568458058 /nfs/dbraw/zinc/45/80/58/568458058.db2.gz VIAKENVHWCGEOR-MRXNPFEDSA-N 0 0 411.521 4.681 50 0 HJAARN Cc1c(C(=O)NCCc2ccccc2)oc2ccc3c(c12)[C@H](O)CC1(CCCC1)O3 ZINC000006751321 568458447 /nfs/dbraw/zinc/45/84/47/568458447.db2.gz BGDUBNGCNRVDCZ-GOSISDBHSA-N 0 0 405.494 4.842 50 0 biogenic HJAARN CCc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOC(C)C)cc1 ZINC000006752866 568458535 /nfs/dbraw/zinc/45/85/35/568458535.db2.gz NHCSVPYHBLUKIR-DEOSSOPVSA-N 0 0 419.525 4.705 50 0 HJAARN CC(C)CC(=O)N(Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1)CC(C)C ZINC000006766061 568459103 /nfs/dbraw/zinc/45/91/03/568459103.db2.gz GBWDVSHMOKXKHJ-UHFFFAOYSA-N 0 0 421.534 4.624 50 0 HJAARN COC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)c1cccc(C)c1 ZINC000000680050 568461433 /nfs/dbraw/zinc/46/14/33/568461433.db2.gz UMPNQFLHRNMRED-UHFFFAOYSA-N 0 0 408.479 4.656 50 0 HJAARN COc1ccccc1NC(=O)/C(=C\c1cccs1)NC(=O)c1ccc(C)c(C)c1 ZINC000000688996 568461806 /nfs/dbraw/zinc/46/18/06/568461806.db2.gz IQOQJPWVEWFNIR-XSFVSMFZSA-N 0 0 406.507 4.783 50 0 HJAARN COc1ccc(/C=C/C(=O)N2CCc3sccc3[C@H]2c2ccccc2)c(OC)c1 ZINC000024771712 568462282 /nfs/dbraw/zinc/46/22/82/568462282.db2.gz WMRKGCHKLJRTEI-KMEWNKIWSA-N 0 0 405.519 4.953 50 0 HJAARN Cc1cc(Cl)ccc1OCC(=O)Nc1ncnc2sc3c(c21)C[C@H](C)CC3 ZINC000000751906 568470976 /nfs/dbraw/zinc/47/09/76/568470976.db2.gz GPSZAIULUANNBJ-LLVKDONJSA-N 0 0 401.919 4.795 50 0 HJAARN COc1cccc(-n2cnn(CN(C)Cc3ccc(Cl)c(Cl)c3)c2=S)c1 ZINC000007100677 568471246 /nfs/dbraw/zinc/47/12/46/568471246.db2.gz FWXDDPIUJXKTLH-UHFFFAOYSA-N 0 0 409.342 4.808 50 0 HJAARN COc1ccc2[nH]c(SCC(=O)c3ccc(NC(=O)c4ccccc4)cc3)nc2c1 ZINC000007138586 568472152 /nfs/dbraw/zinc/47/21/52/568472152.db2.gz APNQDILBVUUNJN-UHFFFAOYSA-N 0 0 417.490 4.799 50 0 HJAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)O[C@H](C)C(=O)N1CCCCCC1 ZINC000022000557 568472919 /nfs/dbraw/zinc/47/29/19/568472919.db2.gz PFIABKRITNEBSA-CQSZACIVSA-N 0 0 406.935 4.720 50 0 HJAARN O=C(/C=C/c1ccc2c(c1)CCO2)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000024881768 568475404 /nfs/dbraw/zinc/47/54/04/568475404.db2.gz NKZVXNMESATSOD-XBXARRHUSA-N 0 0 413.499 4.556 50 0 HJAARN COc1ccc(CCN(C)C(=O)c2ccc(C3SCCCS3)cc2)cc1OC ZINC000007278546 568478359 /nfs/dbraw/zinc/47/83/59/568478359.db2.gz YWPXKXRGVMTFJS-UHFFFAOYSA-N 0 0 417.596 4.887 50 0 HJAARN CCc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccccc4)n21)CCCC3 ZINC000000794120 568480909 /nfs/dbraw/zinc/48/09/09/568480909.db2.gz MQGLWERVLDPMKZ-UHFFFAOYSA-N 0 0 423.567 4.511 50 0 HJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nc(C3CC3)n(-c3ccccc3)n2)c1C ZINC000007733725 568483901 /nfs/dbraw/zinc/48/39/01/568483901.db2.gz RSEFEARQHLAODV-OAHLLOKOSA-N 0 0 408.527 4.656 50 0 HJAARN CCOc1ccccc1/C=C/C(=O)Nc1nc(C)c(-c2nccn2C(F)F)s1 ZINC000022472669 568486423 /nfs/dbraw/zinc/48/64/23/568486423.db2.gz GBTWFODHACASOE-CMDGGOBGSA-N 0 0 404.442 4.761 50 0 HJAARN COc1ccc(Cl)cc1C(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1 ZINC000012342278 568488658 /nfs/dbraw/zinc/48/86/58/568488658.db2.gz CPASJJOPQKQGQE-UHFFFAOYSA-N 0 0 419.868 4.608 50 0 HJAARN COc1ccc(NC(=O)c2ccc(NC(=O)/C=C/c3cc(C)ccc3OC)cc2)cc1 ZINC000008071113 568490027 /nfs/dbraw/zinc/49/00/27/568490027.db2.gz AKMRSNVTLZSGDN-VIZOYTHASA-N 0 0 416.477 4.916 50 0 HJAARN O=C(CSc1nc2ccccc2o1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000008132154 568491313 /nfs/dbraw/zinc/49/13/13/568491313.db2.gz YMBHPIFFEOSNRY-OAHLLOKOSA-N 0 0 409.492 4.952 50 0 HJAARN COc1ccc([C@@H](NC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)C(C)C)cc1OC ZINC000604419504 568493205 /nfs/dbraw/zinc/49/32/05/568493205.db2.gz GZMDRBGQSILGDJ-UGKGYDQZSA-N 0 0 422.529 4.824 50 0 HJAARN O=C(NCCc1ccccc1)N1CCn2cccc2[C@H]1c1ccc(Br)cc1 ZINC000012344127 568493477 /nfs/dbraw/zinc/49/34/77/568493477.db2.gz SZOXLALZWHKJHB-OAQYLSRUSA-N 0 0 424.342 4.608 50 0 HJAARN c1csc(Cc2nnc(SCc3nc(-c4ccsc4)no3)n2C2CC2)c1 ZINC000008255972 568494079 /nfs/dbraw/zinc/49/40/79/568494079.db2.gz DPYQRRYQBKBMIU-UHFFFAOYSA-N 0 0 401.542 4.669 50 0 HJAARN COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCCc2cccs2)cc1 ZINC000008278362 568496170 /nfs/dbraw/zinc/49/61/70/568496170.db2.gz VTMTXANHRVBYKU-UHFFFAOYSA-N 0 0 417.534 4.641 50 0 HJAARN Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)n1 ZINC000000818263 568496576 /nfs/dbraw/zinc/49/65/76/568496576.db2.gz BIOAKZSNNSQEQI-UHFFFAOYSA-N 0 0 404.948 4.525 50 0 HJAARN C[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccccc1 ZINC000000825712 568498694 /nfs/dbraw/zinc/49/86/94/568498694.db2.gz WJJLJYVRHMKFPI-BVZFJXPGSA-N 0 0 416.546 4.952 50 0 HJAARN COc1ccc([C@@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)NC(C)=O)cc1 ZINC000022866330 568500216 /nfs/dbraw/zinc/50/02/16/568500216.db2.gz PUUCIQLVGPIQPH-HSZRJFAPSA-N 0 0 404.466 4.694 50 0 HJAARN CC[C@@](C)(C(=O)Nc1c(C)cccc1C)N(C(=O)c1ccccn1)c1ccc(O)cc1 ZINC000000830302 568504021 /nfs/dbraw/zinc/50/40/21/568504021.db2.gz PYGLYMXPVVDWRS-VWLOTQADSA-N 0 0 417.509 4.858 50 0 HJAARN O=S(=O)(c1cccc(Cl)c1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1 ZINC000012361430 568509534 /nfs/dbraw/zinc/50/95/34/568509534.db2.gz MALXZQRVKJAWBI-LJQANCHMSA-N 0 0 407.322 4.589 50 0 HJAARN O=S(=O)(c1cccc(Cl)c1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1 ZINC000012361428 568509590 /nfs/dbraw/zinc/50/95/90/568509590.db2.gz MALXZQRVKJAWBI-IBGZPJMESA-N 0 0 407.322 4.589 50 0 HJAARN O=S(=O)(c1ccc(Cl)cc1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1 ZINC000012361375 568509601 /nfs/dbraw/zinc/50/96/01/568509601.db2.gz JXQSJVUHCVFYRL-LJQANCHMSA-N 0 0 407.322 4.589 50 0 HJAARN O=C(CCc1nc(-c2ccc(F)cc2)no1)N(Cc1ccco1)Cc1cccs1 ZINC000024460558 568511789 /nfs/dbraw/zinc/51/17/89/568511789.db2.gz MFGQJIOVPBNEEB-UHFFFAOYSA-N 0 0 411.458 4.692 50 0 HJAARN Cc1nc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)cc(-c2ccccn2)n1 ZINC000033301573 568513373 /nfs/dbraw/zinc/51/33/73/568513373.db2.gz VLWXVKFOIMGEPD-UHFFFAOYSA-N 0 0 405.310 4.885 50 0 HJAARN CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1 ZINC000000835303 568513481 /nfs/dbraw/zinc/51/34/81/568513481.db2.gz WCUZWXSPMYVMJS-UHFFFAOYSA-N 0 0 414.914 4.559 50 0 HJAARN Cc1cccc(-c2nc(CN3CCC(C(=O)Nc4ccc(C)cc4Cl)CC3)no2)c1 ZINC000033327683 568514072 /nfs/dbraw/zinc/51/40/72/568514072.db2.gz PEWAXFGUUZOPDU-UHFFFAOYSA-N 0 0 424.932 4.858 50 0 HJAARN COC(=O)c1occc1CSc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1 ZINC000025025398 568514549 /nfs/dbraw/zinc/51/45/49/568514549.db2.gz MZDUNXWXIDGIFN-UHFFFAOYSA-N 0 0 418.540 4.862 50 0 HJAARN O=C1N(Cc2ccccc2Cl)c2ccccc2[C@@]1(O)[C@@H]1CCc2ccccc2C1=O ZINC000012377421 568551811 /nfs/dbraw/zinc/55/18/11/568551811.db2.gz ZHTXYUBDBDHKCN-CJFMBICVSA-N 0 0 417.892 4.520 50 0 HJAARN CCCCNC(=O)c1cc(-c2ccc(O)c(OC)c2)nc2n[nH]c(-c3ccccc3)c21 ZINC000020135104 568589934 /nfs/dbraw/zinc/58/99/34/568589934.db2.gz RUTAXRBZSVJQMQ-UHFFFAOYSA-N 0 0 416.481 4.536 50 0 HJAARN CC(C)(C)SC[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1c1nc2ccccc2o1 ZINC000390829062 568591763 /nfs/dbraw/zinc/59/17/63/568591763.db2.gz CONGLJXIRUOSQB-WMZOPIPTSA-N 0 0 401.576 4.709 50 0 HJAARN O=[S@@](Cc1ncc(-c2ccc(F)cc2)o1)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000095349212 568600430 /nfs/dbraw/zinc/60/04/30/568600430.db2.gz GVVTZBUCSYLSDM-NDEPHWFRSA-N 0 0 421.877 4.744 50 0 HJAARN COc1cccc2c1Oc1nc(-c3ccc(Br)cc3)[nH]c(=S)c1C2 ZINC000020380409 568602523 /nfs/dbraw/zinc/60/25/23/568602523.db2.gz LMDPGPRYOWSDDG-UHFFFAOYSA-N 0 0 401.285 4.900 50 0 HJAARN CCn1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N2CCCC2)c2ccccc21 ZINC000020438904 568607404 /nfs/dbraw/zinc/60/74/04/568607404.db2.gz ZLJPNMUUVXBLQZ-QNGOZBTKSA-N 0 0 421.928 4.708 50 0 HJAARN Cc1ccc(-n2nccc2NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)nn1 ZINC000095428003 568608311 /nfs/dbraw/zinc/60/83/11/568608311.db2.gz TZAPUAZTTZPYBW-UHFFFAOYSA-N 0 0 424.439 4.577 50 0 HJAARN COc1cccc(CN(C(=O)Cn2cc(C)nc2C)C23CC4CC(CC(C4)C2)C3)c1 ZINC000095444428 568611491 /nfs/dbraw/zinc/61/14/91/568611491.db2.gz ZEJCMZLYWYGTGY-UHFFFAOYSA-N 0 0 407.558 4.506 50 0 HJAARN Cc1ccc(C2=NN(C(=O)CN(Cc3cccnc3)C(C)C)[C@H](c3ccco3)C2)cc1 ZINC000095446673 568611997 /nfs/dbraw/zinc/61/19/97/568611997.db2.gz OAKMMABSBYWIBY-QHCPKHFHSA-N 0 0 416.525 4.571 50 0 HJAARN O=C(Nc1ccccc1NC(=O)c1ccc(OCC(F)(F)F)nc1)c1ccccc1 ZINC000040091076 568615701 /nfs/dbraw/zinc/61/57/01/568615701.db2.gz MZNJLVCGAFMMIV-UHFFFAOYSA-N 0 0 415.371 4.527 50 0 HJAARN Cc1ccccc1[C@H](O)CNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000095465228 568623175 /nfs/dbraw/zinc/62/31/75/568623175.db2.gz MRPHHDIJVGXWPB-WAOWUJCRSA-N 0 0 411.933 4.648 50 0 HJAARN CCCc1noc(CCCC(=O)Nc2ccc(N3CCC[C@H]3C(C)C)c(F)c2)n1 ZINC000095465075 568623191 /nfs/dbraw/zinc/62/31/91/568623191.db2.gz PEEMNEVDGXRMHM-SFHVURJKSA-N 0 0 402.514 4.747 50 0 HJAARN Cc1csc(CN(C)C(=O)[C@H]2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)n1 ZINC000095465660 568623678 /nfs/dbraw/zinc/62/36/78/568623678.db2.gz CWJWWHNDQUAONR-GJZGRUSLSA-N 0 0 402.951 4.914 50 0 HJAARN O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)N1CCO[C@@H](c2ccccc2)C1 ZINC000095473898 568629102 /nfs/dbraw/zinc/62/91/02/568629102.db2.gz LNWAFMUNPQEDPZ-FYYLOGMGSA-N 0 0 408.929 4.916 50 0 HJAARN COc1ccc(-n2cnc3c2[C@H](c2ccc(O)c(Cl)c2)SCC(=O)N3)cc1 ZINC000095475744 568630047 /nfs/dbraw/zinc/63/00/47/568630047.db2.gz WYSYDNBVXXNMPQ-SFHVURJKSA-N 0 0 401.875 4.664 50 0 HJAARN COC(=O)C[C@@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1oc(C)cc(=O)c1O ZINC000095476820 568630641 /nfs/dbraw/zinc/63/06/41/568630641.db2.gz PUQRAJHNHICGRC-HNNXBMFYSA-N 0 0 416.514 4.649 50 0 HJAARN COc1cc([C@@H]2SCC(=O)Nc3ncn(-c4cccc(Cl)c4)c32)ccc1O ZINC000095480109 568633092 /nfs/dbraw/zinc/63/30/92/568633092.db2.gz PANYBFHBOXAZDM-SFHVURJKSA-N 0 0 401.875 4.664 50 0 HJAARN O=C(Nc1nnc(-c2ccccn2)s1)c1ccc2c(ccn2Cc2ccccc2)c1 ZINC000225458768 568639926 /nfs/dbraw/zinc/63/99/26/568639926.db2.gz HFNUHOYWGAJBDT-UHFFFAOYSA-N 0 0 411.490 4.855 50 0 HJAARN Clc1ccc(NCc2cccc(OCc3ccccn3)c2)cc1CN1CCOCC1 ZINC000225480773 568641535 /nfs/dbraw/zinc/64/15/35/568641535.db2.gz IEQHXPDFECOULZ-UHFFFAOYSA-N 0 0 423.944 4.758 50 0 HJAARN COc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)Nc2cccc(OC)c2)cc1 ZINC000020761342 568642437 /nfs/dbraw/zinc/64/24/37/568642437.db2.gz UQPWCUNGTIJXDJ-UHFFFAOYSA-N 0 0 406.482 4.712 50 0 HJAARN O=C(Cn1ccc(-c2nccs2)n1)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2 ZINC000225501158 568643936 /nfs/dbraw/zinc/64/39/36/568643936.db2.gz HQDJMIJEDSJTGJ-UHFFFAOYSA-N 0 0 422.554 4.597 50 0 HJAARN COc1ccc(NC(=O)c2cccc(Cn3ccnc3)c2)cc1NC(=O)OC(C)(C)C ZINC000225509725 568644866 /nfs/dbraw/zinc/64/48/66/568644866.db2.gz ZOVIIUIFAYHPPW-UHFFFAOYSA-N 0 0 422.485 4.539 50 0 HJAARN C[C@@H](Cc1ccco1)NC(=O)c1cc(-c2cccs2)nn1Cc1ccc(F)cc1 ZINC000020864195 568646386 /nfs/dbraw/zinc/64/63/86/568646386.db2.gz WOQVJRCJBUTGQD-HNNXBMFYSA-N 0 0 409.486 4.753 50 0 HJAARN COc1ccc(C2=Nc3ccc(Br)cc3N=C(c3ccncc3)N2)cc1 ZINC000020868492 568647145 /nfs/dbraw/zinc/64/71/45/568647145.db2.gz QLDCXJPQFGMXFO-UHFFFAOYSA-N 0 0 407.271 4.803 50 0 HJAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CC[C@H](c2cccc(F)c2)C1 ZINC000225548699 568649955 /nfs/dbraw/zinc/64/99/55/568649955.db2.gz REYPJKUCAKARPH-HNNXBMFYSA-N 0 0 401.844 4.742 50 0 HJAARN Cc1cc(C)cc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCC2)c1 ZINC000020903056 568650403 /nfs/dbraw/zinc/65/04/03/568650403.db2.gz WHMFEWXOYOXIFV-SANMLTNESA-N 0 0 415.537 4.736 50 0 HJAARN CN(Cc1ccccc1)C(=O)C[C@@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O ZINC000020935989 568652315 /nfs/dbraw/zinc/65/23/15/568652315.db2.gz WWZYLPUMRFGNBT-QHCPKHFHSA-N 0 0 402.469 4.572 50 0 HJAARN Cc1ccc(NS(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CCC4)c(Cl)c1 ZINC000020990247 568655687 /nfs/dbraw/zinc/65/56/87/568655687.db2.gz AATHVPGAEHGGKU-UHFFFAOYSA-N 0 0 402.903 4.758 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000021018777 568658103 /nfs/dbraw/zinc/65/81/03/568658103.db2.gz HILGPRGMBPWLOC-HXUWFJFHSA-N 0 0 410.395 4.916 50 0 HJAARN CCN(CC)c1ccc(NS(=O)(=O)c2cc(-c3cnc(C)o3)ccc2C)c(C)c1 ZINC000021032893 568659586 /nfs/dbraw/zinc/65/95/86/568659586.db2.gz AIFRGQBSDOYTMT-UHFFFAOYSA-N 0 0 413.543 4.914 50 0 HJAARN Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)Nc1ccc(-c2ccno2)cc1 ZINC000021034325 568659628 /nfs/dbraw/zinc/65/96/28/568659628.db2.gz NGIZKLFSQAAUOU-UHFFFAOYSA-N 0 0 421.478 4.983 50 0 HJAARN CCOc1cc(C(=O)N[C@@H](c2nc(-c3ccccc3)no2)C(C)C)cc(Cl)c1O ZINC000095941045 568661937 /nfs/dbraw/zinc/66/19/37/568661937.db2.gz YGNMKZGVYVYTEA-QGZVFWFLSA-N 0 0 415.877 4.621 50 0 HJAARN O=c1c2ccc[nH]c-2c(Nc2cccc(Br)c2)n1Cc1ccc(F)cc1 ZINC000021104664 568666712 /nfs/dbraw/zinc/66/67/12/568666712.db2.gz PVWLRNIGCVVPGT-IBGZPJMESA-N 0 0 412.262 4.750 50 0 HJAARN COc1cccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cc(C)c(Cl)cc2OC)c1 ZINC000021104836 568666966 /nfs/dbraw/zinc/66/69/66/568666966.db2.gz RERRKWYCAKVNOF-NRFANRHFSA-N 0 0 409.873 4.832 50 0 HJAARN O=C(C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)N1CCC[C@@]2(CC=CCC2)C1 ZINC000095959754 568669873 /nfs/dbraw/zinc/66/98/73/568669873.db2.gz PKGFQODUMRFGKZ-PMACEKPBSA-N 0 0 424.488 4.785 50 0 HJAARN Fc1ccc(-c2nc(CN[C@H](c3ncon3)c3ccc(Cl)cc3)cs2)cc1 ZINC000095976700 568673421 /nfs/dbraw/zinc/67/34/21/568673421.db2.gz RFWBMBLZJVSODX-KRWDZBQOSA-N 0 0 400.866 4.865 50 0 HJAARN Cc1ccc(-c2nc3cccnc3n2CCCNC(=O)CSc2ccccc2)cc1 ZINC000021155490 568673507 /nfs/dbraw/zinc/67/35/07/568673507.db2.gz FOOAXFFXUUSPLK-UHFFFAOYSA-N 0 0 416.550 4.705 50 0 HJAARN Cc1ccccc1NC(=O)CCc1nc(CSc2nc3ccccc3s2)no1 ZINC000021157537 568673884 /nfs/dbraw/zinc/67/38/84/568673884.db2.gz DEOBEANUBNDWJE-UHFFFAOYSA-N 0 0 410.524 4.851 50 0 HJAARN O=C(Cn1ccnc1-c1ccnc(Cl)c1)Nc1ccc(OCc2ccccc2)cc1 ZINC000095990720 568677838 /nfs/dbraw/zinc/67/78/38/568677838.db2.gz DVZLAISXJXVTTJ-UHFFFAOYSA-N 0 0 418.884 4.816 50 0 HJAARN Fc1ccc(F)c(-c2nnc3sc(-c4ccc(F)c(Br)c4)nn32)c1 ZINC000012388831 568681761 /nfs/dbraw/zinc/68/17/61/568681761.db2.gz HWNOWPRCWYUMRY-UHFFFAOYSA-N 0 0 411.206 4.700 50 0 HJAARN COc1ccccc1-c1nnc(SC2CCOCC2)n1-c1ccc(Cl)cc1 ZINC000096003424 568681880 /nfs/dbraw/zinc/68/18/80/568681880.db2.gz OWQLTHVYXIYHAS-UHFFFAOYSA-N 0 0 401.919 4.867 50 0 HJAARN CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)Cc1c[nH]c2ncccc12 ZINC000096012100 568684625 /nfs/dbraw/zinc/68/46/25/568684625.db2.gz YMEWUHBLBOOWJX-FQEVSTJZSA-N 0 0 402.542 4.854 50 0 HJAARN CCN(CC(=O)Nc1ccccc1OC)Cc1nc(-c2c(F)cccc2F)cs1 ZINC000096012913 568685225 /nfs/dbraw/zinc/68/52/25/568685225.db2.gz CDJCZNSWIMAYTI-UHFFFAOYSA-N 0 0 417.481 4.558 50 0 HJAARN O=C(CCCN1CC=C(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000096028110 568687032 /nfs/dbraw/zinc/68/70/32/568687032.db2.gz XUZSJKYROCAQJC-UHFFFAOYSA-N 0 0 421.921 4.506 50 0 HJAARN CCCOc1ccc(/C=C\C(=O)N(CCC)[C@H](C)C(=O)Nc2ccccc2)cc1OC ZINC000096035636 568687186 /nfs/dbraw/zinc/68/71/86/568687186.db2.gz CPKCNGZYDDZKEU-RXHHAWBHSA-N 0 0 424.541 4.763 50 0 HJAARN Cc1ccc(C(=O)Nc2c3ccccc3[nH]c2C(=O)NCc2ccccc2F)cc1 ZINC000021361521 568690222 /nfs/dbraw/zinc/69/02/22/568690222.db2.gz IJBCSWRRQDMLDJ-UHFFFAOYSA-N 0 0 401.441 4.798 50 0 HJAARN O=C(Cc1ccc(Cl)cc1)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000012389568 568692114 /nfs/dbraw/zinc/69/21/14/568692114.db2.gz MTZNOSWNGQZTOA-UHFFFAOYSA-N 0 0 403.707 4.711 50 0 HJAARN O=c1c2ccc[nH]c-2c(Nc2ccc(OC(F)(F)F)cc2)n1Cc1ccc(F)cc1 ZINC000021104512 568694404 /nfs/dbraw/zinc/69/44/04/568694404.db2.gz IBSKHTOJXZQBSM-IBGZPJMESA-N 0 0 417.362 4.886 50 0 HJAARN COc1ccccc1[C@@H]1CC(=O)Oc2cc(=O)c3c(O)cc(-c4ccccc4)oc-3c21 ZINC000096115120 568694569 /nfs/dbraw/zinc/69/45/69/568694569.db2.gz XJVIUGDRYMLYCD-INIZCTEOSA-N 0 0 414.413 4.615 50 0 biogenic HJAARN COc1ccc(-c2nnc3sc(Cc4ccc5c(c4)CCC(C)(C)O5)nn32)cc1 ZINC000012390832 568695202 /nfs/dbraw/zinc/69/52/02/568695202.db2.gz QWEZILJFYJKYHP-UHFFFAOYSA-N 0 0 406.511 4.556 50 0 HJAARN COc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)[C@@H](c1ccsc1)CC(=O)O2 ZINC000096116138 568695485 /nfs/dbraw/zinc/69/54/85/568695485.db2.gz XPVCUKONZALYME-OAHLLOKOSA-N 0 0 404.443 4.971 50 0 biogenic HJAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2c[nH]nc2-c2ccccc2)S1 ZINC000096117085 568696329 /nfs/dbraw/zinc/69/63/29/568696329.db2.gz VMNABKYRQLHYGG-DNVCBOLYSA-N 0 0 423.542 4.583 50 0 HJAARN COC(=O)c1c(NC(=O)COc2cc(Cl)ccc2Cl)sc2c1CCCC2 ZINC000000844025 568698959 /nfs/dbraw/zinc/69/89/59/568698959.db2.gz KMRUZEUNFIZMSF-UHFFFAOYSA-N 0 0 414.310 4.738 50 0 HJAARN Cc1ccc(/C=C/S(=O)(=O)Nc2ccccc2Cc2nc(-c3ccco3)no2)cc1 ZINC000096119718 568699018 /nfs/dbraw/zinc/69/90/18/568699018.db2.gz VUWYQQXFDOOJTB-WYMLVPIESA-N 0 0 421.478 4.641 50 0 HJAARN O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000096190125 568703288 /nfs/dbraw/zinc/70/32/88/568703288.db2.gz JJQVNNKBUPSKOF-UHFFFAOYSA-N 0 0 412.717 4.581 50 0 HJAARN COc1ccc(C(=O)N2CCn3cccc3[C@H]2c2ccccc2F)cc1C(F)(F)F ZINC000096203769 568704301 /nfs/dbraw/zinc/70/43/01/568704301.db2.gz CUCCCVMJQMCQAZ-HXUWFJFHSA-N 0 0 418.390 4.900 50 0 HJAARN O=C(Nc1ccc2c(c1)C(=O)Nc1cccnc1S2)c1nc(Cl)ccc1Cl ZINC000096231288 568707096 /nfs/dbraw/zinc/70/70/96/568707096.db2.gz KGHTYPVPZUZXOP-UHFFFAOYSA-N 0 0 417.277 4.753 50 0 HJAARN CC(C)c1sc(Cl)nc1C(=O)NCCCCCc1nc2ccccc2n1C ZINC000096232713 568708267 /nfs/dbraw/zinc/70/82/67/568708267.db2.gz RVUWBWYVCYWPHB-UHFFFAOYSA-N 0 0 404.967 4.949 50 0 HJAARN CCNC(=O)c1ccc(CSc2nc3cccnc3n2Cc2ccccc2)cc1 ZINC000021528310 568709847 /nfs/dbraw/zinc/70/98/47/568709847.db2.gz OYRKLBHLSRUPDQ-UHFFFAOYSA-N 0 0 402.523 4.522 50 0 HJAARN CC1(C)Cc2ccccc2C2=C(c3ccc4ccccc4n3)[C@@](O)(C(F)(F)F)C(=O)N21 ZINC000012402477 568710019 /nfs/dbraw/zinc/71/00/19/568710019.db2.gz RUOVXVBTVMYFFL-QHCPKHFHSA-N 0 0 424.422 4.573 50 0 HJAARN O=C(Nc1ccc(C(=O)Oc2ccccc2)c(O)c1)c1ccc(Br)cc1 ZINC000000846607 568710659 /nfs/dbraw/zinc/71/06/59/568710659.db2.gz FTJHBYCRSCRTDF-UHFFFAOYSA-N 0 0 412.239 4.626 50 0 HJAARN Cc1cn2c(nc(CSc3ccccc3NC(=O)c3ccccc3)cc2=O)s1 ZINC000021535918 568712066 /nfs/dbraw/zinc/71/20/66/568712066.db2.gz NUGJDLJYXTXKMS-UHFFFAOYSA-N 0 0 407.520 4.609 50 0 HJAARN CCc1ccccc1NC(=O)CCCn1nc(-n2cccc2)c2c1nc(C)cc2C ZINC000021539988 568713201 /nfs/dbraw/zinc/71/32/01/568713201.db2.gz XIGJCLPMNWVEJF-UHFFFAOYSA-N 0 0 401.514 4.820 50 0 HJAARN Cc1ccc(NC(=O)CN2c3ccccc3Sc3ncccc3C2=O)c(Cl)c1 ZINC000021540153 568713420 /nfs/dbraw/zinc/71/34/20/568713420.db2.gz XVVZWAGMUKEYLX-UHFFFAOYSA-N 0 0 409.898 4.794 50 0 HJAARN COc1ccc2[nH]cc([C@H](CC(=O)NCc3ccncc3)c3ccccc3F)c2c1 ZINC000096275397 568714257 /nfs/dbraw/zinc/71/42/57/568714257.db2.gz FTZDZGHJYVSQJF-LJQANCHMSA-N 0 0 403.457 4.549 50 0 HJAARN Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1)[C@H]1CCC[C@@H](C)C1 ZINC000229816484 568715526 /nfs/dbraw/zinc/71/55/26/568715526.db2.gz QESMUMSYLVWZFD-PLMTUMEDSA-N 0 0 422.573 4.705 50 0 HJAARN CCCc1cc(=O)oc2cc(OCC(=O)N[C@H](C)c3cc4ccccc4o3)ccc12 ZINC000018536872 568716756 /nfs/dbraw/zinc/71/67/56/568716756.db2.gz CLMCBZAJJDLMQM-OAHLLOKOSA-N 0 0 405.450 4.748 50 0 HJAARN O=C1C[C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)CN1c1ccc(Cl)cc1 ZINC000012414344 568717091 /nfs/dbraw/zinc/71/70/91/568717091.db2.gz OCRMRKWRYPANIL-LBPRGKRZSA-N 0 0 407.779 4.929 50 0 HJAARN CSc1ccc(-c2noc(CSc3nc(-c4ccccc4)cc(=O)[nH]3)n2)cc1 ZINC000012414995 568717195 /nfs/dbraw/zinc/71/71/95/568717195.db2.gz GHLOPGSESKMBQS-UHFFFAOYSA-N 0 0 408.508 4.501 50 0 HJAARN COc1ccccc1S(=O)(=O)Oc1ccccc1-c1nc2cc(Cl)ccc2o1 ZINC000096279311 568717514 /nfs/dbraw/zinc/71/75/14/568717514.db2.gz VMPLXOAPLAHQRV-UHFFFAOYSA-N 0 0 415.854 4.925 50 0 HJAARN O=C1C[C@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)CN1c1cccc(Cl)c1 ZINC000012416198 568717808 /nfs/dbraw/zinc/71/78/08/568717808.db2.gz CWITZEXKUTXURB-LBPRGKRZSA-N 0 0 407.779 4.929 50 0 HJAARN Cc1oc(-c2ccccc2)nc1COC(=O)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000012415628 568717826 /nfs/dbraw/zinc/71/78/26/568717826.db2.gz VGBJZMMHMSWLQS-UHFFFAOYSA-N 0 0 408.845 4.550 50 0 HJAARN COc1cccc(C(=O)COc2ccc(-c3noc(-c4cccc(OC)c4)n3)cc2)c1 ZINC000096280998 568718371 /nfs/dbraw/zinc/71/83/71/568718371.db2.gz DBHPMIBLKDQICF-UHFFFAOYSA-N 0 0 416.433 4.683 50 0 HJAARN CC[C@@H](C)[C@@H](NC(=O)CCc1ccccc1)c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000096293102 568721408 /nfs/dbraw/zinc/72/14/08/568721408.db2.gz LWFJOXCZPVACGQ-OPAMFIHVSA-N 0 0 423.513 4.590 50 0 HJAARN Cc1ccc(-c2noc([C@H](NC(=O)Cc3ccc(F)cc3)C(C)C)n2)cc1Cl ZINC000096293549 568721812 /nfs/dbraw/zinc/72/18/12/568721812.db2.gz LJOYCVZUBNEJPT-LJQANCHMSA-N 0 0 401.869 4.894 50 0 HJAARN CC[C@@H](C)N(CCc1nc(-c2ccc(Cl)cc2)no1)C(=O)Cc1ccc(F)cc1 ZINC000096293899 568722030 /nfs/dbraw/zinc/72/20/30/568722030.db2.gz IXMXPCYSZKMZDE-OAHLLOKOSA-N 0 0 415.896 4.941 50 0 HJAARN COCCN(Cc1cc2ccc(Cl)cc2nc1N(C)C)C(=O)C1CCCCC1 ZINC000014997110 568723143 /nfs/dbraw/zinc/72/31/43/568723143.db2.gz FLGNYSOCPRPJDP-UHFFFAOYSA-N 0 0 403.954 4.510 50 0 HJAARN COc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(C)c(C)c4)c3)cn2n1 ZINC000012441248 568723765 /nfs/dbraw/zinc/72/37/65/568723765.db2.gz MNQJGCXXCRMMCV-UHFFFAOYSA-N 0 0 406.873 4.927 50 0 HJAARN Cc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(C(F)(F)F)cc3)n2)cc1 ZINC000012441117 568723771 /nfs/dbraw/zinc/72/37/71/568723771.db2.gz RBJIIMVQAKDPKG-UHFFFAOYSA-N 0 0 415.415 4.656 50 0 HJAARN COc1ccc(C(=O)Nc2cc(C)nn2-c2nc(-c3ccccc3)cs2)c(OC)c1 ZINC000012441704 568724265 /nfs/dbraw/zinc/72/42/65/568724265.db2.gz FHRKNQYTZCEOKN-UHFFFAOYSA-N 0 0 420.494 4.574 50 0 HJAARN Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccccc2)cc1 ZINC000000869108 568725553 /nfs/dbraw/zinc/72/55/53/568725553.db2.gz WMYFPWVZZCCGOP-UHFFFAOYSA-N 0 0 414.534 4.897 50 0 HJAARN CC[C@H](C)c1nc(C)c(Cc2cc(C)ccc2C)c(N2CCN(C(=O)C3CC3)CC2)n1 ZINC000096316965 568725880 /nfs/dbraw/zinc/72/58/80/568725880.db2.gz BHAZRMGHURUASF-SFHVURJKSA-N 0 0 420.601 4.565 50 0 HJAARN CC[C@@H](C)c1nc(C)c(Cc2ccc(C)cc2)c(N2CCN(C(=O)C3CCC3)CC2)n1 ZINC000096317298 568726486 /nfs/dbraw/zinc/72/64/86/568726486.db2.gz XWHAOEKPMXSEFV-LJQANCHMSA-N 0 0 420.601 4.646 50 0 HJAARN CC[C@@H](C)c1nc(C)c(Cc2ccc(C)cc2)c(N2CCN(C(=O)C(C)C)CC2)n1 ZINC000096317290 568726518 /nfs/dbraw/zinc/72/65/18/568726518.db2.gz HSBFMUBQMLSEBO-LJQANCHMSA-N 0 0 408.590 4.502 50 0 HJAARN Cc1c2cc(Cl)ccc2oc1C(=O)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000238937223 568727335 /nfs/dbraw/zinc/72/73/35/568727335.db2.gz UKYPXVHHNNMQOD-UHFFFAOYSA-N 0 0 412.272 7.093 50 0 HJAARN COc1ccc(-n2c(C)nnc2SCC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000000872595 568727754 /nfs/dbraw/zinc/72/77/54/568727754.db2.gz YZKOGTABMYNGRR-UHFFFAOYSA-N 0 0 423.325 4.622 50 0 HJAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(Br)cc2)cc1 ZINC000239433452 568729515 /nfs/dbraw/zinc/72/95/15/568729515.db2.gz XSGYHOUEGCHLDK-GGAORHGYSA-N 0 0 419.322 6.000 50 0 HJAARN CCOc1ccc(NC(=O)C2CCN(c3ncnc4sc(CC)cc43)CC2)cc1 ZINC000021651736 568729560 /nfs/dbraw/zinc/72/95/60/568729560.db2.gz PKMQYVLSUOPHJF-UHFFFAOYSA-N 0 0 410.543 4.508 50 0 HJAARN Cc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4ccc(F)cc4)no3)o2)c(C)c1 ZINC000096322728 568730754 /nfs/dbraw/zinc/73/07/54/568730754.db2.gz DJUVTCILRSWEIC-UHFFFAOYSA-N 0 0 412.442 4.726 50 0 HJAARN O=S(=O)(Cc1ccc(-c2nc(-c3cccc(Cl)c3)no2)o1)c1ccccc1 ZINC000096322670 568730810 /nfs/dbraw/zinc/73/08/10/568730810.db2.gz QQEGPUBETVAIFF-UHFFFAOYSA-N 0 0 400.843 4.624 50 0 HJAARN Cc1ccc(-c2noc(-c3ccc(CS(=O)(=O)c4ccc(C)cc4C)o3)n2)cc1 ZINC000096322724 568730819 /nfs/dbraw/zinc/73/08/19/568730819.db2.gz FDOXJEPPGPMZGX-UHFFFAOYSA-N 0 0 408.479 4.896 50 0 HJAARN O=S(=O)(c1cccc(Cl)c1)N1N=C(c2ccco2)C[C@H]1c1ccc(Cl)cc1 ZINC000241588194 568731495 /nfs/dbraw/zinc/73/14/95/568731495.db2.gz PAPMZUDWFVNECW-SFHVURJKSA-N 0 0 421.305 5.126 50 0 HJAARN Cc1nc(SC(F)(F)F)sc1CC(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000241897235 568732038 /nfs/dbraw/zinc/73/20/38/568732038.db2.gz TWVDCPGKMWRYKA-QGZVFWFLSA-N 0 0 423.485 4.907 50 0 HJAARN COc1cccc(CNC(=O)Cn2cccc2-c2nc(-c3ccc(C)cc3)cs2)c1 ZINC000021656757 568732438 /nfs/dbraw/zinc/73/24/38/568732438.db2.gz PPDSTYLYUQAUDU-UHFFFAOYSA-N 0 0 417.534 4.912 50 0 HJAARN Cc1ccc(-c2nc3sc4c(n3n2)CCN(C(=O)Nc2cccc(C)c2)C4)cc1 ZINC000096323859 568732874 /nfs/dbraw/zinc/73/28/74/568732874.db2.gz ITMKQMQSQBSWJL-UHFFFAOYSA-N 0 0 403.511 4.665 50 0 HJAARN Cc1ccc(NC(=O)N2CCc3c(sc4nc(-c5ccc(F)cc5)nn43)C2)cc1C ZINC000096323814 568732901 /nfs/dbraw/zinc/73/29/01/568732901.db2.gz ZOKGQFPUQVUUCN-UHFFFAOYSA-N 0 0 421.501 4.804 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)c2cnc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1 ZINC000096323956 568733049 /nfs/dbraw/zinc/73/30/49/568733049.db2.gz RICNGNQJUSCUDX-UHFFFAOYSA-N 0 0 414.387 4.682 50 0 HJAARN Cc1ccc(Cn2c3c4ccccc4oc3c(=O)n(-c3ccc(Cl)cc3)c2=O)cc1 ZINC000021657641 568733449 /nfs/dbraw/zinc/73/34/49/568733449.db2.gz IBKCGFBIOLNJTI-UHFFFAOYSA-N 0 0 416.864 4.909 50 0 HJAARN COc1ccc(N(C(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000005794645 568734032 /nfs/dbraw/zinc/73/40/32/568734032.db2.gz RDPQROXJNGHCFZ-UHFFFAOYSA-N 0 0 415.898 4.693 50 0 HJAARN Cc1csc2nc(CSc3nnc(-c4ccc(C(C)(C)C)cc4)o3)cc(=O)n12 ZINC000005795322 568734226 /nfs/dbraw/zinc/73/42/26/568734226.db2.gz XRZZKKLSNCLGKX-UHFFFAOYSA-N 0 0 412.540 4.704 50 0 HJAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3cccc(Cl)c3)sc2c1 ZINC000021660609 568735633 /nfs/dbraw/zinc/73/56/33/568735633.db2.gz MOPASUPBGVOKSB-HNNXBMFYSA-N 0 0 424.913 4.927 50 0 HJAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@H](c1ccc(F)cc1F)CC(=O)N2 ZINC000021661007 568735769 /nfs/dbraw/zinc/73/57/69/568735769.db2.gz HONLQJJYHXGXMF-AWEZNQCLSA-N 0 0 410.449 4.851 50 0 HJAARN CCCc1nc2cc(CCC(=O)Nc3cc(Cl)c(OC)cc3OC)ccc2[nH]1 ZINC000096332857 568736365 /nfs/dbraw/zinc/73/63/65/568736365.db2.gz QLBJQQKNUQIXAQ-UHFFFAOYSA-N 0 0 401.894 4.757 50 0 HJAARN CCCc1nc2cc(CCC(=O)Nc3ccc(Br)cc3F)ccc2[nH]1 ZINC000096332860 568736413 /nfs/dbraw/zinc/73/64/13/568736413.db2.gz FNYVLYBEVVVDCP-UHFFFAOYSA-N 0 0 404.283 4.988 50 0 HJAARN COc1cc(C2SCCS2)ccc1OC(=O)COc1ccc(F)cc1Cl ZINC000018699250 568738502 /nfs/dbraw/zinc/73/85/02/568738502.db2.gz NQYNVGVDLTYHFJ-UHFFFAOYSA-N 0 0 414.907 4.951 50 0 HJAARN Cc1c2cc(C)ccc2[nH]c1-c1nc(CCN(C)C(=O)c2cc(C)cc(C)c2)no1 ZINC000096349735 568738316 /nfs/dbraw/zinc/73/83/16/568738316.db2.gz YULZTHFFQJNPLZ-UHFFFAOYSA-N 0 0 402.498 4.766 50 0 HJAARN CN(CCc1noc(-c2cc3cc(Cl)ccc3[nH]2)n1)C(=O)c1ccccc1Cl ZINC000096349917 568738559 /nfs/dbraw/zinc/73/85/59/568738559.db2.gz OREQRBPFPKOFPS-UHFFFAOYSA-N 0 0 415.280 4.839 50 0 HJAARN CC[C@H](C)N(Cc1c(C)[nH]c(C(=O)OC)c1C)C(=O)c1ccc(Br)cc1 ZINC000096369070 568739750 /nfs/dbraw/zinc/73/97/50/568739750.db2.gz NHILEIZLLZOYFW-LBPRGKRZSA-N 0 0 421.335 4.622 50 0 HJAARN CN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000018940959 568743132 /nfs/dbraw/zinc/74/31/32/568743132.db2.gz AAFXXXAMXQKDAN-UHFFFAOYSA-N 0 0 404.262 4.894 50 0 HJAARN Cc1oc2ccn(Cc3ccccc3F)c(=O)c2c1C(=O)NCc1cccc(Cl)c1 ZINC000096396552 568745056 /nfs/dbraw/zinc/74/50/56/568745056.db2.gz YSGVDQYZRFQRHZ-UHFFFAOYSA-N 0 0 424.859 4.674 50 0 HJAARN CCOc1ccc(C(=O)Nc2ccc(-c3nc(Cn4cc(C)cn4)c(C)o3)cc2)cc1 ZINC000096397263 568745937 /nfs/dbraw/zinc/74/59/37/568745937.db2.gz USIZMQDTGZIWDS-UHFFFAOYSA-N 0 0 416.481 4.854 50 0 HJAARN CCn1c(-c2cc(NC(=O)CCc3cccc(OC)c3)n[nH]2)cc2cc(OC)ccc21 ZINC000096398607 568747290 /nfs/dbraw/zinc/74/72/90/568747290.db2.gz FJOPBGRCDYQHOG-UHFFFAOYSA-N 0 0 418.497 4.640 50 0 HJAARN CCOc1ccccc1C(=O)Nc1cc(-c2cc3cc(OC)ccc3n2CC)[nH]n1 ZINC000096398590 568747320 /nfs/dbraw/zinc/74/73/20/568747320.db2.gz SBMUTLWWQSWZOB-UHFFFAOYSA-N 0 0 404.470 4.711 50 0 HJAARN COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc(OC)c2OC)c1 ZINC000248256096 568748277 /nfs/dbraw/zinc/74/82/77/568748277.db2.gz SJKKQECZBQOZOQ-OFVILXPXSA-N 0 0 416.477 4.955 50 0 HJAARN C[C@@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000000900228 568749410 /nfs/dbraw/zinc/74/94/10/568749410.db2.gz NWTBIIZJXWIGKI-QGZVFWFLSA-N 0 0 415.522 4.508 50 0 HJAARN Cc1nn(-c2ccc(C(=O)NCc3ccccc3Cl)cc2)c2c1C(=O)CC(C)(C)C2 ZINC000021717312 568750032 /nfs/dbraw/zinc/75/00/32/568750032.db2.gz JZGHZVFOIRMXFX-UHFFFAOYSA-N 0 0 421.928 4.919 50 0 HJAARN O=C(/C=C\c1ccc(Br)o1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000096401584 568750347 /nfs/dbraw/zinc/75/03/47/568750347.db2.gz PSJLUKQURRJZRD-CHOZFAJLSA-N 0 0 401.260 4.603 50 0 HJAARN O=C(CCc1nc(CSc2nc3ccccc3s2)no1)Nc1ccccc1F ZINC000021721369 568750595 /nfs/dbraw/zinc/75/05/95/568750595.db2.gz VRYSWYQIIXCXTH-UHFFFAOYSA-N 0 0 414.487 4.682 50 0 HJAARN Cc1ccc(-c2nc(CN3CCC(C(=O)Nc4ccc(Cl)cc4)CC3)no2)cc1 ZINC000021724236 568750993 /nfs/dbraw/zinc/75/09/93/568750993.db2.gz SQQILTJNNVDVRI-UHFFFAOYSA-N 0 0 410.905 4.549 50 0 HJAARN CC[C@H](Sc1nccn(-c2cccc(C)c2)c1=O)C(=O)Nc1cc(C)ccc1C ZINC000021729647 568751830 /nfs/dbraw/zinc/75/18/30/568751830.db2.gz VQVYEWDFQOBFNJ-FQEVSTJZSA-N 0 0 407.539 4.667 50 0 HJAARN COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC ZINC000000937749 568752157 /nfs/dbraw/zinc/75/21/57/568752157.db2.gz IPOJLYRUAKXYRE-INIZCTEOSA-N 0 0 421.449 4.680 50 0 HJAARN Cc1ccc(Cc2cnc(NC(=O)COc3ccc(Br)cc3)s2)cc1 ZINC000000940029 568752739 /nfs/dbraw/zinc/75/27/39/568752739.db2.gz RZRRETVAJYJYLN-UHFFFAOYSA-N 0 0 417.328 4.822 50 0 HJAARN O=C1CCCc2oc3ccc(NS(=O)(=O)c4ccc(Br)cc4)cc3c21 ZINC000000944079 568753493 /nfs/dbraw/zinc/75/34/93/568753493.db2.gz YDQFWIWZVZRWKX-UHFFFAOYSA-N 0 0 420.284 4.515 50 0 HJAARN CCOc1cc2c(cc1NC(=O)Cc1csc(-c3ccsc3)n1)O[C@H](C)C2 ZINC000021837603 568754549 /nfs/dbraw/zinc/75/45/49/568754549.db2.gz GOWICLZVEZRIAE-GFCCVEGCSA-N 0 0 400.525 4.775 50 0 HJAARN Cc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@H]2CCCC[C@H]2C)cc1 ZINC000021811320 568754574 /nfs/dbraw/zinc/75/45/74/568754574.db2.gz HKFDPGYEFBFCST-VDABOFBKSA-N 0 0 419.525 4.657 50 0 HJAARN C[C@@]1(C(=O)NCc2ccccc2)Cn2c(cc3ccccc32)C(=O)N1C1CCCCC1 ZINC000021858261 568755142 /nfs/dbraw/zinc/75/51/42/568755142.db2.gz CBRBKQLOEKUWOM-SANMLTNESA-N 0 0 415.537 4.505 50 0 HJAARN CC(C)CCNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1c1ccc(Cl)cc1 ZINC000021858380 568755160 /nfs/dbraw/zinc/75/51/60/568755160.db2.gz ZRCWBBGNVNKURF-XMMPIXPASA-N 0 0 423.944 4.876 50 0 HJAARN CCc1ccccc1NC(=O)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000021860139 568755226 /nfs/dbraw/zinc/75/52/26/568755226.db2.gz OGXWUBQFGBBQLJ-UHFFFAOYSA-N 0 0 422.488 4.512 50 0 HJAARN CCCCN1C(=O)c2ccc(-c3ccccc3)n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021869187 568756082 /nfs/dbraw/zinc/75/60/82/568756082.db2.gz YTLYFDFIYJRJOM-VWLOTQADSA-N 0 0 407.558 4.619 50 0 HJAARN COc1ccc(C(=O)Oc2ccc3c(c2)occ(-c2ccccc2)c3=O)cc1OC ZINC000000952288 568757295 /nfs/dbraw/zinc/75/72/95/568757295.db2.gz JTRXOHWBTKFKLV-UHFFFAOYSA-N 0 0 402.402 4.696 50 0 biogenic HJAARN COCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(SC)cc1 ZINC000021889463 568759002 /nfs/dbraw/zinc/75/90/02/568759002.db2.gz IBSGOZYYOFACJA-HSZRJFAPSA-N 0 0 421.566 4.850 50 0 HJAARN COCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1Cl ZINC000021893995 568759932 /nfs/dbraw/zinc/75/99/32/568759932.db2.gz QWHUSROMGYKFAE-QFIPXVFZSA-N 0 0 409.917 4.782 50 0 HJAARN COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000000986853 568760508 /nfs/dbraw/zinc/76/05/08/568760508.db2.gz HMBDRDWKYQYLDZ-BBITVKMKSA-N 0 0 415.876 4.745 50 0 HJAARN O=C(Nc1cccc(C2SCCS2)c1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000025244866 568760697 /nfs/dbraw/zinc/76/06/97/568760697.db2.gz XFVNEGXTVRETBR-GOSISDBHSA-N 0 0 414.552 4.535 50 0 HJAARN CC(C)c1ccc(C(=O)C[C@@]2(O)c3ccccc3N(CCc3ccccc3)C2=O)cc1 ZINC000000990077 568760860 /nfs/dbraw/zinc/76/08/60/568760860.db2.gz ZDXJYGGAGHWCTP-HHHXNRCGSA-N 0 0 413.517 4.860 50 0 HJAARN COc1ccc(CC(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@H](C)C3)cc1 ZINC000000995199 568760906 /nfs/dbraw/zinc/76/09/06/568760906.db2.gz PFBPKIQENRFPRX-AWEZNQCLSA-N 0 0 401.528 4.628 50 0 HJAARN CCn1cc(/C=C/C(=O)Nc2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)cn1 ZINC000001019047 568762553 /nfs/dbraw/zinc/76/25/53/568762553.db2.gz IJXCNVHSVFAKTH-CMDGGOBGSA-N 0 0 418.328 4.723 50 0 HJAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCC(C)CC4)cc3n2)cc1C ZINC000001009229 568762615 /nfs/dbraw/zinc/76/26/15/568762615.db2.gz CDRCVSDVJGSQFU-UHFFFAOYSA-N 0 0 416.447 4.904 50 0 HJAARN CCOc1ccc(N=C2S/C(=C\c3cccc(OCC)c3O)C(=O)N2CC)cc1 ZINC000001012207 568763129 /nfs/dbraw/zinc/76/31/29/568763129.db2.gz FVTKMISGPMWXKT-NPPZMEKISA-N 0 0 412.511 4.814 50 0 HJAARN Cc1cc(=O)oc2c1ccc(OC(=O)c1ccccc1)c2OC(=O)c1ccccc1 ZINC000001021042 568763617 /nfs/dbraw/zinc/76/36/17/568763617.db2.gz MDRCLHPBKAXNLH-UHFFFAOYSA-N 0 0 400.386 4.540 50 0 HJAARN Cc1ccccc1NCN1C(=O)S/C(=C\c2cccc(Br)c2)C1=O ZINC000334162959 568763836 /nfs/dbraw/zinc/76/38/36/568763836.db2.gz JGGUQPVWPQMISO-YBEGLDIGSA-N 0 0 403.301 4.863 50 0 HJAARN CC(C)[C@H](NC(=O)c1ccccc1Br)c1nc(-c2ccccc2)no1 ZINC000334163219 568764052 /nfs/dbraw/zinc/76/40/52/568764052.db2.gz XCECLIVJFPEZSO-INIZCTEOSA-N 0 0 400.276 4.626 50 0 HJAARN COc1ccc(C2=Nc3ccccc3N3C(=O)c4c(ccc(OC)c4OC)[C@@H]3C2)cc1 ZINC000001030757 568764252 /nfs/dbraw/zinc/76/42/52/568764252.db2.gz GCVXWHYCNVYROO-NRFANRHFSA-N 0 0 414.461 4.938 50 0 biogenic HJAARN Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c(C)c1 ZINC000001056074 568764301 /nfs/dbraw/zinc/76/43/01/568764301.db2.gz GZVFHNAMQFJKRY-QHCPKHFHSA-N 0 0 402.494 4.780 50 0 biogenic HJAARN Cc1nc(-c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)cs1 ZINC000001056727 568764442 /nfs/dbraw/zinc/76/44/42/568764442.db2.gz SCJADFLSJSQJSG-UHFFFAOYSA-N 0 0 409.330 4.682 50 0 HJAARN CCOc1ccc(NC(=O)c2cccc(OC(=S)NCc3ccccc3)c2)cc1 ZINC000001051900 568765212 /nfs/dbraw/zinc/76/52/12/568765212.db2.gz PVZHHVFOQOOFMS-UHFFFAOYSA-N 0 0 406.507 4.791 50 0 HJAARN C[C@H](Sc1n[nH]c(C=Cc2ccc(F)cc2)n1)C(=O)N1CCCc2ccccc21 ZINC000096942210 568765545 /nfs/dbraw/zinc/76/55/45/568765545.db2.gz OPHLDNVOZUVUOO-WVUXNXBLSA-N 0 0 408.502 4.574 50 0 HJAARN O=C(CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)NCc1ccco1 ZINC000001062004 568766252 /nfs/dbraw/zinc/76/62/52/568766252.db2.gz FFVQAZCVNRRDNX-UHFFFAOYSA-N 0 0 401.491 4.812 50 0 HJAARN O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)N[C@@H]1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000022352781 568766923 /nfs/dbraw/zinc/76/69/23/568766923.db2.gz ZHCSRBMJNSNZMR-HLPPOEQASA-N 0 0 401.348 4.730 50 0 HJAARN COC(=O)c1cc(NC(=O)c2occc2CSc2ccccc2)c(F)cc1F ZINC000097091096 568767905 /nfs/dbraw/zinc/76/79/05/568767905.db2.gz QZCVZSWNVOMMML-UHFFFAOYSA-N 0 0 403.406 4.889 50 0 HJAARN CCn1c(-c2ccncc2)nn(CN(C)Cc2ccc(C(F)(F)F)cc2)c1=S ZINC000052569675 568770381 /nfs/dbraw/zinc/77/03/81/568770381.db2.gz HHWIZTYQETUCKN-UHFFFAOYSA-N 0 0 407.465 4.604 50 0 HJAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCCCCC4)cc3N2)cc1 ZINC000002474740 568773800 /nfs/dbraw/zinc/77/38/00/568773800.db2.gz XDYQIEXEQJROFX-AEFFLSMTSA-N 0 0 406.452 4.868 50 0 HJAARN Cc1ccc(C)c(NC(=O)c2cnn3c2nc(-c2ccco2)cc3C(F)(F)F)c1 ZINC000002504260 568777441 /nfs/dbraw/zinc/77/74/41/568777441.db2.gz LKWOEWWAFRKVNF-UHFFFAOYSA-N 0 0 400.360 4.877 50 0 HJAARN CCn1nc(C)c(CN(C)C(=O)c2ccc(COc3ccc(Cl)c(C)c3)o2)c1C ZINC000028231041 568783090 /nfs/dbraw/zinc/78/30/90/568783090.db2.gz WWNLKSWKMLTAQC-UHFFFAOYSA-N 0 0 415.921 4.926 50 0 HJAARN Cc1nn(Cc2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)o2)c(C)c1Cl ZINC000028230147 568783125 /nfs/dbraw/zinc/78/31/25/568783125.db2.gz QBIWUEIORYLNNR-UHFFFAOYSA-N 0 0 413.783 4.946 50 0 HJAARN Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCC(=O)NC(C)(C)C ZINC000002620915 568787601 /nfs/dbraw/zinc/78/76/01/568787601.db2.gz DIRGEUHTOORDEC-UHFFFAOYSA-N 0 0 410.901 4.935 50 0 HJAARN Cc1cc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)c(C)n1C ZINC000002621507 568787774 /nfs/dbraw/zinc/78/77/74/568787774.db2.gz QCNIUIFHVIPJCZ-UHFFFAOYSA-N 0 0 417.534 4.624 50 0 HJAARN O=C(CSC(=S)N1CCC(Cc2ccccc2)CC1)Oc1ccc(F)cc1F ZINC000215679030 568788563 /nfs/dbraw/zinc/78/85/63/568788563.db2.gz ITGXKGNAPVYFGC-UHFFFAOYSA-N 0 0 421.534 4.843 50 0 HJAARN COc1ccc(-c2csc(NC(=O)Cc3c(F)cccc3Cl)n2)cc1OC ZINC000002627718 568789811 /nfs/dbraw/zinc/78/98/11/568789811.db2.gz ZXJIRIACGRWMAX-UHFFFAOYSA-N 0 0 406.866 4.801 50 0 HJAARN Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc32)cc1C ZINC000002629842 568790418 /nfs/dbraw/zinc/79/04/18/568790418.db2.gz DBXDSTFBDKZDTB-UHFFFAOYSA-N 0 0 400.434 4.907 50 0 HJAARN CCN(CC)c1ccc(C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000002633482 568791401 /nfs/dbraw/zinc/79/14/01/568791401.db2.gz HBVIRPOPLIFNHY-UHFFFAOYSA-N 0 0 402.494 4.995 50 0 HJAARN CCc1cccc(CC)c1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000002648514 568795715 /nfs/dbraw/zinc/79/57/15/568795715.db2.gz ZDELWKIIGJZIAJ-UHFFFAOYSA-N 0 0 422.550 4.889 50 0 HJAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCCCC(=O)c1ccc(F)cc1 ZINC000002659571 568798770 /nfs/dbraw/zinc/79/87/70/568798770.db2.gz SUCACLVOAAJPFI-UHFFFAOYSA-N 0 0 414.864 4.852 50 0 HJAARN Cc1ccc(C(=O)c2cnc3ccc(F)cc3c2S(=O)(=O)c2ccccc2)cc1 ZINC000002692655 568801343 /nfs/dbraw/zinc/80/13/43/568801343.db2.gz FEGVBDJNHRFVSB-UHFFFAOYSA-N 0 0 405.450 4.746 50 0 HJAARN CCOc1ccc(NC(=O)N[C@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)cc1 ZINC000002725334 568803726 /nfs/dbraw/zinc/80/37/26/568803726.db2.gz WJYZSWMXWAVFBZ-QGZVFWFLSA-N 0 0 402.756 4.548 50 0 HJAARN O=C(OCC(F)(F)C(F)F)c1ccc(COc2ccccc2Br)o1 ZINC000002750531 568806757 /nfs/dbraw/zinc/80/67/57/568806757.db2.gz KSPXHWZTGCBYQR-UHFFFAOYSA-N 0 0 411.145 4.678 50 0 HJAARN Cc1cc(OCc2ccc(-c3nc4c5cnn(C)c5ncn4n3)cc2)cc(C)c1Cl ZINC000002802774 568811153 /nfs/dbraw/zinc/81/11/53/568811153.db2.gz KWVJKUUXJDDZOA-UHFFFAOYSA-N 0 0 418.888 4.527 50 0 HJAARN Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](C1CC1)N2C(=O)c1cc(-c2ccccc2)on1 ZINC000002803155 568811246 /nfs/dbraw/zinc/81/12/46/568811246.db2.gz GJSUIHBCHFDFLD-SJLPKXTDSA-N 0 0 416.403 4.779 50 0 HJAARN COc1cc(-c2nnc(-c3ccc(OC(F)F)c(OC)c3)o2)ccc1OC(F)F ZINC000002803514 568811437 /nfs/dbraw/zinc/81/14/37/568811437.db2.gz KLPVXMPLXQKVGW-UHFFFAOYSA-N 0 0 414.311 4.624 50 0 HJAARN COc1cccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(C)cc2)c1 ZINC000002915226 568816293 /nfs/dbraw/zinc/81/62/93/568816293.db2.gz NJAZZHWKFVUXHE-DQEYMECFSA-N 0 0 422.488 4.808 50 0 HJAARN FC(F)Oc1ccccc1[C@@H]1C[C@H](c2ccc(Br)cc2)Nc2ncnn21 ZINC000002918028 568816386 /nfs/dbraw/zinc/81/63/86/568816386.db2.gz SZXKPFSKBAPSFR-CABCVRRESA-N 0 0 421.245 4.788 50 0 HJAARN CC(=O)O/C(C)=C1\CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C ZINC000257347481 568817530 /nfs/dbraw/zinc/81/75/30/568817530.db2.gz IYHMGYUYUFEWDP-DHBKBYPRSA-N 0 0 416.558 4.977 50 0 HJAARN CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)Nc2ccc(OC)cc2)c1C ZINC000002928920 568817947 /nfs/dbraw/zinc/81/79/47/568817947.db2.gz UCTNEKIYDQJMBF-UHFFFAOYSA-N 0 0 406.482 4.678 50 0 HJAARN CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)Nc2ccc(F)cc2F)c1C ZINC000002929240 568818146 /nfs/dbraw/zinc/81/81/46/568818146.db2.gz PIMQZIIFBIHWDT-UHFFFAOYSA-N 0 0 412.436 4.947 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)C2(c3cccc(Br)c3)CCCC2)cc1 ZINC000029106863 568819524 /nfs/dbraw/zinc/81/95/24/568819524.db2.gz HWHKAFSQWNRMHY-UHFFFAOYSA-N 0 0 401.304 4.858 50 0 HJAARN COc1ccc(C2=N/C(=C/c3c(F)cccc3Cl)C(=O)O2)cc1Br ZINC000002945845 568819919 /nfs/dbraw/zinc/81/99/19/568819919.db2.gz KBDCGXPZPUEHJL-RIYZIHGNSA-N 0 0 410.626 4.595 50 0 HJAARN COc1ccc(Cc2nc3ccccc3n2C[C@H](O)COc2ccc(Cl)cc2)cc1 ZINC000082087049 568820742 /nfs/dbraw/zinc/82/07/42/568820742.db2.gz DDXLPMMTMZJAOA-IBGZPJMESA-N 0 0 422.912 4.729 50 0 HJAARN O=C(c1ccccc1)c1ccccc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000029268221 568823679 /nfs/dbraw/zinc/82/36/79/568823679.db2.gz SZLSERMVVOELNL-UHFFFAOYSA-N 0 0 409.489 4.814 50 0 HJAARN CCCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@H](C)CC)cc1 ZINC000005825024 568824408 /nfs/dbraw/zinc/82/44/08/568824408.db2.gz ZOIXLMKIOZWTJH-AUUYWEPGSA-N 0 0 403.548 4.903 50 0 HJAARN C#CCOc1ccc(/C=C2/SC(=Nc3ccc(OCC)cc3)N(CC)C2=O)cc1 ZINC000005897087 568828608 /nfs/dbraw/zinc/82/86/08/568828608.db2.gz LZSMPFPWRKXGRG-YSKMNUJESA-N 0 0 406.507 4.721 50 0 HJAARN O=C1[C@@H](Cc2ccccc2)N=C2c3ccccc3N=C(SCc3ccccc3F)N12 ZINC000002964385 568830593 /nfs/dbraw/zinc/83/05/93/568830593.db2.gz OMKYYUUQQQUZCC-OAQYLSRUSA-N 0 0 415.493 4.960 50 0 HJAARN O=C(COC(=O)[C@H]1CCCC[C@H]1c1nc2ccccc2s1)Nc1ccc(F)cc1 ZINC000005938682 568830681 /nfs/dbraw/zinc/83/06/81/568830681.db2.gz BEMFXOBTPGMCPL-SJORKVTESA-N 0 0 412.486 4.891 50 0 HJAARN CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccccc2Cl)NC(=O)N1 ZINC000005943854 568831528 /nfs/dbraw/zinc/83/15/28/568831528.db2.gz CUEFCVWNOSHKHW-INIZCTEOSA-N 0 0 409.795 4.625 50 0 HJAARN O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)NCCC1=CCCCC1 ZINC000002972066 568831917 /nfs/dbraw/zinc/83/19/17/568831917.db2.gz FXYFJQJREGWLDT-UHFFFAOYSA-N 0 0 411.571 4.610 50 0 HJAARN CCOc1ccc(OCCSc2n[nH]c(-c3cc(Cl)ccc3OC)n2)cc1 ZINC000005967566 568832888 /nfs/dbraw/zinc/83/28/88/568832888.db2.gz HVZKUKGTQCERTG-UHFFFAOYSA-N 0 0 405.907 4.704 50 0 HJAARN CCc1nc2c3ccccc3oc2c(N2CCN(Cc3ccc(Cl)cc3)CC2)n1 ZINC000057412122 568832982 /nfs/dbraw/zinc/83/29/82/568832982.db2.gz QKBHOYYFPZWFDM-UHFFFAOYSA-N 0 0 406.917 4.914 50 0 HJAARN CC[C@@H](C)NC(=O)c1cc2c3ccccc3[nH]c2c(-c2cc(OC)ccc2OC)n1 ZINC000006003193 568834927 /nfs/dbraw/zinc/83/49/27/568834927.db2.gz CHAKRYQENMOYCY-CQSZACIVSA-N 0 0 403.482 4.929 50 0 biogenic HJAARN CCCCn1c(SCC(=O)Nc2c(C)cccc2C)nc2ccsc2c1=O ZINC000057426385 568835273 /nfs/dbraw/zinc/83/52/73/568835273.db2.gz GFWZXEKFHBHCMS-UHFFFAOYSA-N 0 0 401.557 4.606 50 0 HJAARN COc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)OC2CCCCC2)cc1 ZINC000001791359 568835340 /nfs/dbraw/zinc/83/53/40/568835340.db2.gz NMJSZKXFSLCFQP-UHFFFAOYSA-N 0 0 408.450 4.723 50 0 HJAARN C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)o1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000006028910 568835855 /nfs/dbraw/zinc/83/58/55/568835855.db2.gz PSJLEVCFYZBIAF-XOBRGWDASA-N 0 0 418.522 4.892 50 0 HJAARN CC(=O)N(c1nc(Cn2cc(C(F)(F)F)ccc2=O)cs1)c1cccc(C)c1C ZINC000031625351 568836967 /nfs/dbraw/zinc/83/69/67/568836967.db2.gz VFPOGTYGBLELEB-UHFFFAOYSA-N 0 0 421.444 4.673 50 0 HJAARN CCc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)NC2CCCCCC2)c1 ZINC000003022708 568840506 /nfs/dbraw/zinc/84/05/06/568840506.db2.gz FJXDAZARSQJYJB-UHFFFAOYSA-N 0 0 418.534 4.642 50 0 HJAARN Cc1ccc(C)c(-n2cnnc2SCc2cc3c(cc2Br)OCO3)c1 ZINC000012516930 568840657 /nfs/dbraw/zinc/84/06/57/568840657.db2.gz NAPIEJUPZRYFCI-UHFFFAOYSA-N 0 0 418.316 4.668 50 0 HJAARN Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)cc1F ZINC000057486723 568842442 /nfs/dbraw/zinc/84/24/42/568842442.db2.gz FSCAQLFDKFWMKK-UHFFFAOYSA-N 0 0 410.836 4.945 50 0 HJAARN CCOc1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000057486697 568842468 /nfs/dbraw/zinc/84/24/68/568842468.db2.gz SBALZMITIKROFS-UHFFFAOYSA-N 0 0 422.872 4.896 50 0 HJAARN Cc1c(=O)c2cccc(C(=O)Nc3ccc(-n4cccn4)nc3)c2oc1-c1ccccc1 ZINC000012523551 568842503 /nfs/dbraw/zinc/84/25/03/568842503.db2.gz LGARXBZFCPARQF-UHFFFAOYSA-N 0 0 422.444 4.601 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)Cn1cccc1-c1nc(-c2ccc(C)cc2)no1 ZINC000057486838 568842652 /nfs/dbraw/zinc/84/26/52/568842652.db2.gz DPBXJUVAVHAVQB-UHFFFAOYSA-N 0 0 422.872 4.814 50 0 HJAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000012525557 568842843 /nfs/dbraw/zinc/84/28/43/568842843.db2.gz LGLRMAYNCZWCOX-IBGZPJMESA-N 0 0 416.506 4.535 50 0 HJAARN CCOc1ccc(NC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)cc1 ZINC000057487246 568842999 /nfs/dbraw/zinc/84/29/99/568842999.db2.gz YGOAITMQQHRPIL-UHFFFAOYSA-N 0 0 422.872 4.896 50 0 HJAARN CCOC(=O)c1c(C)n(C)c2cc(Br)c(C(=O)Oc3ccccc3)cc21 ZINC000001225149 568844716 /nfs/dbraw/zinc/84/47/16/568844716.db2.gz DMNVSRKHQUKGIE-UHFFFAOYSA-N 0 0 416.271 4.645 50 0 HJAARN CCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)NC2CCCCC2)ccc1F ZINC000003031788 568844910 /nfs/dbraw/zinc/84/49/10/568844910.db2.gz RIPKLGZOXMSTAP-UHFFFAOYSA-N 0 0 418.534 4.560 50 0 HJAARN CCOc1cc(C(=O)Nc2ccc3oc(C)nc3c2)ccc1OCc1ccncc1 ZINC000012539032 568846528 /nfs/dbraw/zinc/84/65/28/568846528.db2.gz RLVZDEWUXDOQSZ-UHFFFAOYSA-N 0 0 403.438 4.761 50 0 HJAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2cccnc2)cc1Cl ZINC000012538676 568846693 /nfs/dbraw/zinc/84/66/93/568846693.db2.gz FPTZNOGYZYRBLF-UHFFFAOYSA-N 0 0 409.898 4.735 50 0 HJAARN Cc1cccc(OCCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)c1 ZINC000012539628 568847047 /nfs/dbraw/zinc/84/70/47/568847047.db2.gz JQCLNUAQDRLOSW-UHFFFAOYSA-N 0 0 403.482 4.679 50 0 HJAARN Cc1nc2c(C(=O)N[C@H](C)CCc3ccccc3)cnn2c(C)c1Cc1ccccc1 ZINC000003041031 568847859 /nfs/dbraw/zinc/84/78/59/568847859.db2.gz YDFHUYCGYZVVDC-GOSISDBHSA-N 0 0 412.537 4.688 50 0 HJAARN O=C(NCCc1ccccc1)c1cc(=O)n(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000003042510 568847928 /nfs/dbraw/zinc/84/79/28/568847928.db2.gz AMHZXNTVUQCGGD-UHFFFAOYSA-N 0 0 416.908 4.676 50 0 HJAARN COc1ccc(CCC(=O)Nc2nc(-c3cccnc3)cs2)cc1Br ZINC000012540631 568848539 /nfs/dbraw/zinc/84/85/39/568848539.db2.gz ZXEPJBCNDBPZFZ-UHFFFAOYSA-N 0 0 418.316 4.548 50 0 HJAARN C[C@H]1CCCC[C@H]1NC(=O)c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F ZINC000003044715 568848645 /nfs/dbraw/zinc/84/86/45/568848645.db2.gz JIROGDKSSUUVME-WCQYABFASA-N 0 0 408.449 4.785 50 0 HJAARN Cc1nc2c(C(=O)NCCC3=CCCCC3)cnn2c(C)c1Cc1ccc(F)cc1 ZINC000003045221 568848801 /nfs/dbraw/zinc/84/88/01/568848801.db2.gz CKNRGGSWXJEGOY-UHFFFAOYSA-N 0 0 406.505 4.696 50 0 HJAARN O=C(Nc1ccc(Nc2ccccc2)cc1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000012545633 568850248 /nfs/dbraw/zinc/85/02/48/568850248.db2.gz QJAITCOKMLCKNG-JOCHJYFZSA-N 0 0 401.466 4.800 50 0 HJAARN Cc1ccc2c(C)cc(SCC(=O)Nc3ccc(C(=O)N(C)C)cc3)nc2c1C ZINC000012546061 568850376 /nfs/dbraw/zinc/85/03/76/568850376.db2.gz QCXRKRKBPLBMHP-UHFFFAOYSA-N 0 0 407.539 4.593 50 0 HJAARN O=C(NCC(F)(F)F)c1cccc(NCc2ncc(-c3ccc(Cl)cc3)o2)c1 ZINC000012545818 568850382 /nfs/dbraw/zinc/85/03/82/568850382.db2.gz VYUMYFHTFTUJMF-UHFFFAOYSA-N 0 0 409.795 4.899 50 0 HJAARN COc1cccc(NCc2ccccc2OCC(=O)Nc2ccc(C(C)=O)cc2)c1 ZINC000003280053 568850914 /nfs/dbraw/zinc/85/09/14/568850914.db2.gz NVVVAYMQABMWRP-UHFFFAOYSA-N 0 0 404.466 4.527 50 0 HJAARN CCc1cc(=O)n(CC(=O)Nc2c(C)cccc2Cl)c(-c2cccc(Cl)c2)n1 ZINC000057527793 568850959 /nfs/dbraw/zinc/85/09/59/568850959.db2.gz HOTNMSXOFINKBH-UHFFFAOYSA-N 0 0 416.308 4.727 50 0 HJAARN Cn1ccnc1[C@H](NC(=O)CCCc1c[nH]c2ccccc12)c1ccc(Cl)cc1 ZINC000012548213 568851265 /nfs/dbraw/zinc/85/12/65/568851265.db2.gz IQDHDDYIMKAGIV-JOCHJYFZSA-N 0 0 406.917 4.783 50 0 HJAARN CC(C)Oc1ccc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000003283947 568851935 /nfs/dbraw/zinc/85/19/35/568851935.db2.gz KWBDZXAGOFJFIG-HNNXBMFYSA-N 0 0 410.495 4.781 50 0 HJAARN Cc1ccc(C)c(SCC(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)c1 ZINC000003291185 568852554 /nfs/dbraw/zinc/85/25/54/568852554.db2.gz BZHWGGUNYJCCCD-UHFFFAOYSA-N 0 0 419.546 4.845 50 0 HJAARN C[C@H]1CCc2c(sc3ncnc(N[C@H](c4nccn4C)c4ccccc4F)c23)C1 ZINC000012550388 568852897 /nfs/dbraw/zinc/85/28/97/568852897.db2.gz GDRMSFOPLQXULJ-DJJJIMSYSA-N 0 0 407.518 4.890 50 0 HJAARN C[C@H]1CCc2c(sc3ncnc(N[C@@H](c4nccn4C)c4ccccc4F)c23)C1 ZINC000012550392 568852916 /nfs/dbraw/zinc/85/29/16/568852916.db2.gz GDRMSFOPLQXULJ-ORAYPTAESA-N 0 0 407.518 4.890 50 0 HJAARN C[C@@H](Sc1nccn1-c1cccc(Cl)c1)C(=O)N(C)Cc1cccc(F)c1 ZINC000012550577 568853266 /nfs/dbraw/zinc/85/32/66/568853266.db2.gz HNKLFCJIJNEKOZ-CQSZACIVSA-N 0 0 403.910 4.804 50 0 HJAARN NC(=O)c1ccc(N[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)cc1 ZINC000012553124 568854590 /nfs/dbraw/zinc/85/45/90/568854590.db2.gz INPSAQAXPUSOLT-IBGZPJMESA-N 0 0 414.292 4.884 50 0 HJAARN COc1ccccc1Nc1ncccc1C(=O)N(C)Cc1ccccc1N1CCCC1 ZINC000012554606 568855119 /nfs/dbraw/zinc/85/51/19/568855119.db2.gz BVQRRLKJKKUVQX-UHFFFAOYSA-N 0 0 416.525 4.706 50 0 HJAARN COc1ccc(NC(=O)[C@H](c2ccccc2)N(CCO)Cc2ccccc2)cc1Cl ZINC000003354087 568856651 /nfs/dbraw/zinc/85/66/51/568856651.db2.gz DDFYAVYBHVYDFS-QHCPKHFHSA-N 0 0 424.928 4.523 50 0 HJAARN CS(=O)(=O)c1ccc(O[C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000057652150 568857507 /nfs/dbraw/zinc/85/75/07/568857507.db2.gz WHCPUBYWGPKQCY-HSZRJFAPSA-N 0 0 405.475 4.574 50 0 HJAARN COc1cc(C(=O)Nc2ccccc2Cl)cc(NC(=O)c2cccs2)c1OC ZINC000003400624 568857865 /nfs/dbraw/zinc/85/78/65/568857865.db2.gz HNIRQQGEAGVXAF-UHFFFAOYSA-N 0 0 416.886 4.923 50 0 HJAARN CCOC(=O)C(C(=O)OCC)[C@@H](Nc1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000003162535 568858792 /nfs/dbraw/zinc/85/87/92/568858792.db2.gz GONBLCXHEYLCAS-QFIPXVFZSA-N 0 0 409.457 4.875 50 0 HJAARN Cc1cc(NC(=O)c2ccc(Cl)cc2)n(CCOC(=O)c2ccc(Cl)cc2)n1 ZINC000003182739 568860336 /nfs/dbraw/zinc/86/03/36/568860336.db2.gz SYUOKICOGMLPFJ-UHFFFAOYSA-N 0 0 418.280 4.608 50 0 HJAARN C[C@H](NC(=O)CSc1nc(C2CCCCC2)n(-c2ccccc2)n1)c1ccco1 ZINC000012568045 568860700 /nfs/dbraw/zinc/86/07/00/568860700.db2.gz BCBUBBADRNUAKU-INIZCTEOSA-N 0 0 410.543 4.878 50 0 HJAARN Cc1ccc(-n2c(SCc3ccc(-n4cccn4)cc3)nnc2N2CCCC2)cc1 ZINC000012568995 568860980 /nfs/dbraw/zinc/86/09/80/568860980.db2.gz PDDVQXJXHWQSPI-UHFFFAOYSA-N 0 0 416.554 4.654 50 0 HJAARN CCOc1ccc2c(c1)SC1=N[C@@](c3ccc(C)cc3)(C(F)(F)F)NC(=O)N21 ZINC000003198296 568861099 /nfs/dbraw/zinc/86/10/99/568861099.db2.gz UEWCSHILODWYIQ-SFHVURJKSA-N 0 0 407.417 4.800 50 0 HJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000003549344 568861945 /nfs/dbraw/zinc/86/19/45/568861945.db2.gz VTPCPTNPYZDGCR-UHFFFAOYSA-N 0 0 414.914 4.808 50 0 HJAARN O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc21)Nc1ccccc1Cl ZINC000003219301 568863164 /nfs/dbraw/zinc/86/31/64/568863164.db2.gz YMIJIQBWGVPZTP-UHFFFAOYSA-N 0 0 406.825 4.944 50 0 HJAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3ccc(F)cc3)N2C1=O ZINC000003636830 568865211 /nfs/dbraw/zinc/86/52/11/568865211.db2.gz KWUNAFNQJOCBHJ-QUCCMNQESA-N 0 0 424.497 4.608 50 0 HJAARN O=c1c2ccccc2nc(SCc2cn3ccsc3n2)n1-c1ccc(F)cc1 ZINC000003235421 568865427 /nfs/dbraw/zinc/86/54/27/568865427.db2.gz URRIRPULKIRWEB-UHFFFAOYSA-N 0 0 408.483 4.526 50 0 aggregator HJAARN CC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2)nc1C ZINC000003643170 568865810 /nfs/dbraw/zinc/86/58/10/568865810.db2.gz YCSCOYMJJFAKMA-GOSISDBHSA-N 0 0 416.458 4.510 50 0 HJAARN O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc21)N1CCc2ccccc2C1 ZINC000003239800 568865999 /nfs/dbraw/zinc/86/59/99/568865999.db2.gz JNVNXDIWLZPDGM-UHFFFAOYSA-N 0 0 422.484 4.644 50 0 HJAARN O=C(Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1)C1CC1 ZINC000012585406 568866351 /nfs/dbraw/zinc/86/63/51/568866351.db2.gz MCESUVAYROCAAY-UHFFFAOYSA-N 0 0 418.824 4.508 50 0 HJAARN Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2ccc3c(c2)OCO3)c2ccccc2)c1 ZINC000003240367 568866372 /nfs/dbraw/zinc/86/63/72/568866372.db2.gz DPMGVAROIWHFHI-QFIPXVFZSA-N 0 0 403.434 4.569 50 0 HJAARN COc1ccccc1OCCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003668667 568867306 /nfs/dbraw/zinc/86/73/06/568867306.db2.gz ZFANBDQXGPVTGE-UHFFFAOYSA-N 0 0 407.310 4.542 50 0 HJAARN CCCNC(=O)c1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2n1 ZINC000003670820 568867516 /nfs/dbraw/zinc/86/75/16/568867516.db2.gz FKHBXZSBTABKMB-UHFFFAOYSA-N 0 0 417.218 4.862 50 0 HJAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)Oc2ccc3oc4ccccc4c3c2)c1 ZINC000012589659 568867828 /nfs/dbraw/zinc/86/78/28/568867828.db2.gz WNNRCAXZSRBXJJ-UHFFFAOYSA-N 0 0 423.490 4.836 50 0 HJAARN CC(C)(C)[C@@H](/C=C/c1ccc(Cl)cc1Cl)NC(=O)C1(NC=O)CCCCC1 ZINC000003764877 568868006 /nfs/dbraw/zinc/86/80/06/568868006.db2.gz JXSPHIAJRHIPFH-XSFOEPMVSA-N 0 0 411.373 4.986 50 0 HJAARN Cc1nn(CCc2nc(-c3ccccc3F)cs2)c2[nH]c(=O)cc(C(F)(F)F)c12 ZINC000003253399 568868155 /nfs/dbraw/zinc/86/81/55/568868155.db2.gz JZRXMESSAQXLTF-UHFFFAOYSA-N 0 0 422.407 4.557 50 0 HJAARN O=C(COC(=O)C1(c2ccccc2F)CCCC1)Nc1ccccc1C(F)(F)F ZINC000003254930 568868327 /nfs/dbraw/zinc/86/83/27/568868327.db2.gz MJIVNCMTTQTZDN-UHFFFAOYSA-N 0 0 409.379 4.838 50 0 HJAARN C[C@H](c1nnc(SCc2cc(-c3ccccc3)on2)n1-c1ccc(F)cc1)N(C)C ZINC000012595044 568868738 /nfs/dbraw/zinc/86/87/38/568868738.db2.gz LENLCJFTNRICTE-OAHLLOKOSA-N 0 0 423.517 4.976 50 0 HJAARN Cc1cccc(Cn2nccc2NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c1 ZINC000030527329 568869072 /nfs/dbraw/zinc/86/90/72/568869072.db2.gz RUCQIJSXDOVPEX-UHFFFAOYSA-N 0 0 414.513 4.695 50 0 HJAARN Cc1nc(S[C@@H](C)C(=O)c2ccc(Br)cc2)n(C[C@@H]2CCCO2)c1C ZINC000012603400 568870398 /nfs/dbraw/zinc/87/03/98/568870398.db2.gz KZBYGVJVWHGZQE-YOEHRIQHSA-N 0 0 423.376 4.805 50 0 HJAARN Cc1nc(-c2ccc(C)cc2)c(C2=C(c3ccc4c(c3)OCCO4)COC2=O)s1 ZINC000003280193 568871462 /nfs/dbraw/zinc/87/14/62/568871462.db2.gz PZLSQFDERHEKTR-UHFFFAOYSA-N 0 0 405.475 4.666 50 0 HJAARN Cc1ccc(F)c(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c1 ZINC000015317101 568872295 /nfs/dbraw/zinc/87/22/95/568872295.db2.gz BNYXOJHWOGXADU-UHFFFAOYSA-N 0 0 419.485 4.508 50 0 HJAARN CCOc1c(Cl)cc(C(=O)NCc2ccc(-c3csc(C)n3)o2)cc1OC ZINC000012618796 568872369 /nfs/dbraw/zinc/87/23/69/568872369.db2.gz URKPMKLSMBAUSC-UHFFFAOYSA-N 0 0 406.891 4.702 50 0 HJAARN O=C(COC(=O)c1cccc(Oc2ccccc2)c1)Nc1ccccc1OC(F)F ZINC000003289381 568872814 /nfs/dbraw/zinc/87/28/14/568872814.db2.gz YWEHCJCNFNRFGC-UHFFFAOYSA-N 0 0 413.376 4.876 50 0 HJAARN Cc1nc2sc3c(c2c(SCC(=O)Nc2ccc(OC(F)F)cc2)n1)CCC3 ZINC000003294229 568874276 /nfs/dbraw/zinc/87/42/76/568874276.db2.gz WDRWLGHVXCSNIB-UHFFFAOYSA-N 0 0 421.494 4.821 50 0 HJAARN O=C(COc1ncnc2c(Cl)cc(Cl)cc12)N[C@H]1CCCc2ccccc21 ZINC000003297068 568875421 /nfs/dbraw/zinc/87/54/21/568875421.db2.gz VYMPJLLGPZDTFU-KRWDZBQOSA-N 0 0 402.281 4.509 50 0 HJAARN Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)Nc1cccc(Cl)c1Cl ZINC000003302593 568876970 /nfs/dbraw/zinc/87/69/70/568876970.db2.gz ARTRCICAWSZEQB-UHFFFAOYSA-N 0 0 408.068 4.678 50 0 HJAARN Cc1ccc(Cl)cc1N1CCN(CCNC(=O)Nc2cccc3ccccc32)CC1 ZINC000058021475 568878055 /nfs/dbraw/zinc/87/80/55/568878055.db2.gz OKBVEFJGNMCHNF-UHFFFAOYSA-N 0 0 422.960 4.745 50 0 HJAARN Cc1c(Cl)cccc1-n1c(SC[C@H]2CCCCO2)nnc1-c1ccncc1 ZINC000003313421 568878823 /nfs/dbraw/zinc/87/88/23/568878823.db2.gz WLSXLQIYGBAVAW-MRXNPFEDSA-N 0 0 400.935 4.952 50 0 HJAARN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@]32CCOC(C)(C)C2)cc1 ZINC000004038644 568879876 /nfs/dbraw/zinc/87/98/76/568879876.db2.gz JMYJAWUSQAQZRN-GBXCKJPGSA-N 0 0 408.498 4.533 50 0 biogenic HJAARN CCN(CC)c1ccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 ZINC000003320616 568880281 /nfs/dbraw/zinc/88/02/81/568880281.db2.gz CDPUTTNYORKNDG-UHFFFAOYSA-N 0 0 411.527 4.926 50 0 HJAARN O=C(CSc1nnc(-c2ccccc2)o1)Nc1ncc(C(F)(F)F)cc1Cl ZINC000003321387 568880435 /nfs/dbraw/zinc/88/04/35/568880435.db2.gz IGBIXMWFJKHSMD-UHFFFAOYSA-N 0 0 414.796 4.535 50 0 HJAARN Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(NC(=O)c4ccc(F)cc4)c23)cc1 ZINC000004060127 568881106 /nfs/dbraw/zinc/88/11/06/568881106.db2.gz FAXGZPUPWUPAPB-UHFFFAOYSA-N 0 0 403.461 4.948 50 0 HJAARN Cc1nnc(NC(=O)CSc2cn(Cc3ccc(C)cc3)c3ccccc23)s1 ZINC000004059729 568881226 /nfs/dbraw/zinc/88/12/26/568881226.db2.gz WACLNJSSJTVUSE-UHFFFAOYSA-N 0 0 408.552 4.889 50 0 HJAARN Cc1cc(C(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)Cc2ccco2)c(C)o1 ZINC000003336722 568882983 /nfs/dbraw/zinc/88/29/83/568882983.db2.gz ROQVGDYCGBUKCP-UHFFFAOYSA-N 0 0 420.387 4.789 50 0 HJAARN COc1ccc(NC(=O)C[C@@H](c2ccsc2)n2cccc2)cc1-c1nnc(C)o1 ZINC000263587544 568883220 /nfs/dbraw/zinc/88/32/20/568883220.db2.gz ICEVMDFEOXHGSS-SFHVURJKSA-N 0 0 408.483 4.535 50 0 HJAARN Cc1cccc(Nc2ccccc2C(=O)OCC(=O)c2ccc3c(c2)OCCO3)c1C ZINC000003338538 568883306 /nfs/dbraw/zinc/88/33/06/568883306.db2.gz WWJWPVKLQCDPKJ-UHFFFAOYSA-N 0 0 417.461 4.858 50 0 HJAARN CCn1c2ccc(C(=O)N3CCC[C@H]3c3cc(OC)ccc3OC)cc2[nH]c1=S ZINC000012640041 568884310 /nfs/dbraw/zinc/88/43/10/568884310.db2.gz XLAPJFXEGLCMIP-SFHVURJKSA-N 0 0 411.527 4.713 50 0 HJAARN C[C@H]1CCc2[nH]c3ccc(C(=O)N(C)CC(=O)Nc4ccccc4Cl)cc3c2C1 ZINC000015388817 568885192 /nfs/dbraw/zinc/88/51/92/568885192.db2.gz XGGZSQGNBCPTAV-AWEZNQCLSA-N 0 0 409.917 4.657 50 0 HJAARN Cc1noc(C)c1CSc1nnc([C@H]2COc3ccccc3O2)n1-c1ccccc1 ZINC000003352871 568886029 /nfs/dbraw/zinc/88/60/29/568886029.db2.gz PUQVYGNIAGOMSM-HXUWFJFHSA-N 0 0 420.494 4.677 50 0 HJAARN CCn1cc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)c(=O)c2ccc(C)nc21 ZINC000003358935 568887413 /nfs/dbraw/zinc/88/74/13/568887413.db2.gz KKJCBUGUALTJTC-UHFFFAOYSA-N 0 0 424.913 4.754 50 0 HJAARN Cc1ccccc1-n1nnnc1S[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000003386854 568893524 /nfs/dbraw/zinc/89/35/24/568893524.db2.gz BTRDNLRFFOWTSO-FQEVSTJZSA-N 0 0 419.485 4.582 50 0 HJAARN CCCN(Cc1ccccc1)C(=O)Nc1ccc(C)c(NC(=O)CN2CCCCC2)c1 ZINC000058161518 568894551 /nfs/dbraw/zinc/89/45/51/568894551.db2.gz YXLRNKFYMZNBFB-UHFFFAOYSA-N 0 0 422.573 4.864 50 0 HJAARN CCn1c(SCC(=O)c2cc(C)n([C@H](C)COC)c2C)nnc1-c1ccccc1 ZINC000003391659 568894665 /nfs/dbraw/zinc/89/46/65/568894665.db2.gz USCLICQLKKQTDS-MRXNPFEDSA-N 0 0 412.559 4.566 50 0 HJAARN Cc1ccc(-c2nc(C(=O)N[C@@H](C)c3nc(-c4ccc(F)cc4)no3)cs2)cc1 ZINC000058167415 568895382 /nfs/dbraw/zinc/89/53/82/568895382.db2.gz NVVVCVADNRGRPU-ZDUSSCGKSA-N 0 0 408.458 4.799 50 0 HJAARN CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)CC(c2ccccc2)c2ccccc2)C1 ZINC000058167067 568895474 /nfs/dbraw/zinc/89/54/74/568895474.db2.gz UOMMZNBYIMIVAN-REWPJTCUSA-N 0 0 406.570 4.752 50 0 HJAARN COCc1cccc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)c1 ZINC000030846802 568895932 /nfs/dbraw/zinc/89/59/32/568895932.db2.gz TXQMPZNKVNQWEH-UHFFFAOYSA-N 0 0 418.419 4.808 50 0 HJAARN CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)cc2)c2c[nH]c3ccccc32)cc1 ZINC000003400021 568896027 /nfs/dbraw/zinc/89/60/27/568896027.db2.gz OEAIPUAHXPTHBA-QFIPXVFZSA-N 0 0 401.485 4.935 50 0 aggregator HJAARN Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1Cc1ccccc1 ZINC000003411673 568898281 /nfs/dbraw/zinc/89/82/81/568898281.db2.gz GZOUTMPZSHNCDO-UHFFFAOYSA-N 0 0 404.495 4.626 50 0 HJAARN COc1ccc(N(Cc2ccc(Cl)s2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000003412607 568898492 /nfs/dbraw/zinc/89/84/92/568898492.db2.gz VDCMJNNVMCKDTC-UHFFFAOYSA-N 0 0 411.907 4.945 50 0 HJAARN CCSc1nnc(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)s1 ZINC000003430523 568901536 /nfs/dbraw/zinc/90/15/36/568901536.db2.gz LUJICIKPYHRDIZ-UHFFFAOYSA-N 0 0 423.519 4.984 50 0 HJAARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)NC1CCCCCC1 ZINC000003466012 568907278 /nfs/dbraw/zinc/90/72/78/568907278.db2.gz QUMYCSWDEXOFGI-UHFFFAOYSA-N 0 0 410.543 4.518 50 0 HJAARN CCCc1nc2sc3c(ncnc3NC[C@H]3CCCO3)c2c2c1COC(C)(C)C2 ZINC000001254274 568909035 /nfs/dbraw/zinc/90/90/35/568909035.db2.gz VLFWHRSJRLBRIS-CYBMUJFWSA-N 0 0 412.559 4.634 50 0 HJAARN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cccc(C)c2OC)c1 ZINC000001264680 568909458 /nfs/dbraw/zinc/90/94/58/568909458.db2.gz FPFVSECQXADPMZ-UHFFFAOYSA-N 0 0 419.934 4.522 50 0 HJAARN CC(C)(C)NC(=O)O[C@H]1CS[C@@H]2c3ccccc3C(=O)N2Cc2sccc21 ZINC000004108893 568909609 /nfs/dbraw/zinc/90/96/09/568909609.db2.gz PWDISRYZBGDCPW-MAUKXSAKSA-N 0 0 402.541 4.715 50 0 HJAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NCc1ccccc1Cl ZINC000003505941 568910831 /nfs/dbraw/zinc/91/08/31/568910831.db2.gz GSGMSAVWHRYMAQ-UHFFFAOYSA-N 0 0 424.913 4.589 50 0 HJAARN COc1ccc(C2(C(=O)N3CCC[C@@H]3c3nc(-c4ccccc4Cl)no3)CC2)cc1 ZINC000263617822 568911651 /nfs/dbraw/zinc/91/16/51/568911651.db2.gz PWKHSTNWZZWGPS-LJQANCHMSA-N 0 0 423.900 4.794 50 0 HJAARN Brc1ccc(-c2noc(-c3ncn4c3CO[C@H](c3ccccc3)C4)n2)cc1 ZINC000263618534 568911787 /nfs/dbraw/zinc/91/17/87/568911787.db2.gz UFVTWQXKPZBICT-KRWDZBQOSA-N 0 0 423.270 4.634 50 0 HJAARN Brc1ccccc1-c1noc(-c2ncn3c2CO[C@@H](c2ccccc2)C3)n1 ZINC000263618919 568912005 /nfs/dbraw/zinc/91/20/05/568912005.db2.gz WDVQUILPCYPAAG-QGZVFWFLSA-N 0 0 423.270 4.634 50 0 HJAARN COc1ccc([C@H]2Cn3nc(-c4nc(-c5cccc(Cl)c5)no4)cc3CO2)cc1 ZINC000263619170 568912216 /nfs/dbraw/zinc/91/22/16/568912216.db2.gz XHRQTCNNJUOCLD-LJQANCHMSA-N 0 0 408.845 4.534 50 0 HJAARN O=C(CCC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1)c1ccc(Cl)s1 ZINC000031127206 568914738 /nfs/dbraw/zinc/91/47/38/568914738.db2.gz QMNGULLETXZLIY-ZDUSSCGKSA-N 0 0 402.903 4.912 50 0 HJAARN COc1ccc(CCSc2nnc([C@H](C)N(C)C)n2-c2ccc(Cl)cc2)cc1 ZINC000003553519 568915183 /nfs/dbraw/zinc/91/51/83/568915183.db2.gz HNOZAOLOBGUKSF-HNNXBMFYSA-N 0 0 416.978 4.887 50 0 HJAARN O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000001359878 568916474 /nfs/dbraw/zinc/91/64/74/568916474.db2.gz WHRUNDVSLUVWRK-CQSZACIVSA-N 0 0 400.841 4.941 50 0 HJAARN Cc1cccc(Oc2ncccc2NC(=O)c2nc(N3CCCC3)ncc2Cl)c1C ZINC000058407566 568916847 /nfs/dbraw/zinc/91/68/47/568916847.db2.gz SJGQWGNRPFVPNG-UHFFFAOYSA-N 0 0 423.904 4.787 50 0 HJAARN O=C(NCCn1nc(-c2ccsc2)cc1C1CC1)c1cc(Br)cs1 ZINC000217880470 568917544 /nfs/dbraw/zinc/91/75/44/568917544.db2.gz KMMGUVQNLJPYAP-UHFFFAOYSA-N 0 0 422.373 4.743 50 0 HJAARN O=C(Cc1ccc(F)cc1)NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000004167074 568919626 /nfs/dbraw/zinc/91/96/26/568919626.db2.gz UIKXAZASGHSBEH-UHFFFAOYSA-N 0 0 408.420 4.869 50 0 HJAARN Nc1c(C(=O)NCCc2ccccc2)sc(=S)n1-c1cccc(C(F)(F)F)c1 ZINC000003632826 568921297 /nfs/dbraw/zinc/92/12/97/568921297.db2.gz PYTHQIKMTMIZSW-UHFFFAOYSA-N 0 0 423.485 4.842 50 0 HJAARN O=C1[C@H]2[C@H](C(=O)N1OCc1ccc(Cl)cc1)C1c3ccccc3C2c2ccccc21 ZINC000001383920 568922251 /nfs/dbraw/zinc/92/22/51/568922251.db2.gz FMRSLHQFDBKMEI-BWWMBTDCSA-N 0 0 415.876 4.664 50 0 HJAARN O=c1[nH]c(SCc2c(F)cccc2Cl)nc2c1cnn2-c1ccc(F)cc1 ZINC000003665076 568924097 /nfs/dbraw/zinc/92/40/97/568924097.db2.gz FTNHHUXFCIBSAL-UHFFFAOYSA-N 0 0 404.829 4.745 50 0 HJAARN COc1ccc(CCN(Cc2cccnc2)C(=S)Nc2cccc(C)c2)cc1OC ZINC000003665504 568924120 /nfs/dbraw/zinc/92/41/20/568924120.db2.gz YNZZSAZHYDUNLH-UHFFFAOYSA-N 0 0 421.566 4.849 50 0 HJAARN O=C(Nc1ccc(Cl)cc1)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000001391125 568924341 /nfs/dbraw/zinc/92/43/41/568924341.db2.gz POZISWNWDDRQAV-UHFFFAOYSA-N 0 0 406.791 4.821 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccn(Cc2cccc(Cl)c2)c1=O ZINC000001391132 568924529 /nfs/dbraw/zinc/92/45/29/568924529.db2.gz DJIUUWQBEBSWSV-UHFFFAOYSA-N 0 0 406.791 4.821 50 0 HJAARN CCOC(=O)c1nnc(-c2ccccc2)nc1Sc1ccc(Br)cc1 ZINC000001392070 568924694 /nfs/dbraw/zinc/92/46/94/568924694.db2.gz OPEHMLVWMOYUDA-UHFFFAOYSA-N 0 0 416.300 4.629 50 0 HJAARN Cc1ccc(C(=O)CSc2nc(C(F)(F)F)cc(=O)n2-c2ccccc2)cc1 ZINC000001394898 568925222 /nfs/dbraw/zinc/92/52/22/568925222.db2.gz MCTLBERPVNGFMJ-UHFFFAOYSA-N 0 0 404.413 4.535 50 0 HJAARN O=C(c1nn(-c2ccccc2)c2c1CCC2)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000031392807 568925291 /nfs/dbraw/zinc/92/52/91/568925291.db2.gz YLNLXPNHPAGFJI-HXUWFJFHSA-N 0 0 414.534 4.948 50 0 HJAARN CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)CC1 ZINC000031390769 568925297 /nfs/dbraw/zinc/92/52/97/568925297.db2.gz UZWDHACZVKNQSI-KRWDZBQOSA-N 0 0 415.559 4.607 50 0 HJAARN O=C(NCc1ccccc1)c1cc(Cl)c(=O)n(Cc2c(Cl)cccc2Cl)c1 ZINC000001400049 568926003 /nfs/dbraw/zinc/92/60/03/568926003.db2.gz WXAHZYBJENKAKI-UHFFFAOYSA-N 0 0 421.711 4.787 50 0 HJAARN O=C(Nc1ccc(Cl)cc1)c1ccc(=O)n(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000001396425 568926339 /nfs/dbraw/zinc/92/63/39/568926339.db2.gz AFOVGBRCMXPKHJ-UHFFFAOYSA-N 0 0 406.791 4.821 50 0 HJAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1C=CC(C(F)(F)F)=NCC1 ZINC000001403950 568927920 /nfs/dbraw/zinc/92/79/20/568927920.db2.gz CVJJFJCKMBKZIX-UHFFFAOYSA-N 0 0 418.202 4.930 50 0 HJAARN Cc1nn2c(nc(-c3ccc(Cl)cc3)cc2C(F)(F)F)c1C(=O)NC(C)(C)C ZINC000004181693 568927973 /nfs/dbraw/zinc/92/79/73/568927973.db2.gz IFJJFBJJYRGHKI-UHFFFAOYSA-N 0 0 410.827 4.905 50 0 HJAARN CCCN(CCC)S(=O)(=O)c1cc2c(cc1Cl)Oc1cc(C)ccc1NC2=O ZINC000046077568 568928518 /nfs/dbraw/zinc/92/85/18/568928518.db2.gz XAZBHBVKDUCYSH-UHFFFAOYSA-N 0 0 422.934 4.817 50 0 HJAARN COc1ccc(-n2c(SCC(=O)OC(C)(C)C)nnc2-c2ccccc2C)cc1 ZINC000004184621 568928649 /nfs/dbraw/zinc/92/86/49/568928649.db2.gz OVERFCSDIAGBDO-UHFFFAOYSA-N 0 0 411.527 4.685 50 0 HJAARN CCCc1noc([C@H](C)Sc2nc3sc(-c4ccccc4)cc3c(=O)n2C)n1 ZINC000031697145 568929285 /nfs/dbraw/zinc/92/92/85/568929285.db2.gz QRLYLKLHSJXPKO-LBPRGKRZSA-N 0 0 412.540 4.851 50 0 HJAARN COc1cccc(CC(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)c1 ZINC000012741957 568929873 /nfs/dbraw/zinc/92/98/73/568929873.db2.gz YLPFACLZWBYXMH-UHFFFAOYSA-N 0 0 406.429 4.943 50 0 HJAARN Cn1ccnc1SC[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000003983846 568931165 /nfs/dbraw/zinc/93/11/65/568931165.db2.gz RNFUORZCJMHGLE-UNTFZJFLSA-N 0 0 416.631 4.567 50 0 biogenic HJAARN CCCOc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OCC ZINC000004000007 568932029 /nfs/dbraw/zinc/93/20/29/568932029.db2.gz DVRJHTXMJFZNDQ-AKNQKSQZSA-N 0 0 406.526 4.511 50 0 biogenic HJAARN CC1(C)c2ccccc2N2CC(=O)N[C@]21/C=C/c1cccc(OCc2ccccc2)c1 ZINC000003999924 568932110 /nfs/dbraw/zinc/93/21/10/568932110.db2.gz LFEHVWYJDOESKN-QLWPUQSHSA-N 0 0 410.517 4.903 50 0 biogenic HJAARN Cc1nn(-c2ccccc2)c(Cl)c1C[S@@](=O)Cc1cc(-c2ccccc2)on1 ZINC000084017175 568933089 /nfs/dbraw/zinc/93/30/89/568933089.db2.gz ZBWYSBFMPPSUSF-MUUNZHRXSA-N 0 0 411.914 4.938 50 0 HJAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@]32CCOC(C)(C)C2)cc1OC ZINC000004029866 568934412 /nfs/dbraw/zinc/93/44/12/568934412.db2.gz LWRLBQILWIOHKS-YADARESESA-N 0 0 408.498 4.533 50 0 biogenic HJAARN COc1ccc(C(=O)[C@@H](OC(=O)CCC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000004030017 568934455 /nfs/dbraw/zinc/93/44/55/568934455.db2.gz SHWSQOUBSYDQBC-VWLOTQADSA-N 0 0 402.446 4.826 50 0 biogenic HJAARN O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2F)CN1c1ccccc1F ZINC000004033441 568934945 /nfs/dbraw/zinc/93/49/45/568934945.db2.gz CHLJOSGKIMTQIJ-QGZVFWFLSA-N 0 0 403.432 4.883 50 0 HJAARN CC1=C(C(=O)Nc2ccccc2)C(c2cccnc2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000001418785 568935042 /nfs/dbraw/zinc/93/50/42/568935042.db2.gz VGGLKCSGRJYUHF-UHFFFAOYSA-N 0 0 424.504 4.594 50 0 HJAARN COc1ccc(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)cc1OC ZINC000004077278 568938198 /nfs/dbraw/zinc/93/81/98/568938198.db2.gz TXJJKDGTDHXHDT-UHFFFAOYSA-N 0 0 415.902 4.542 50 0 HJAARN CCOC(=O)C1=C(CSc2ccc(C)cc2)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000001421924 568938328 /nfs/dbraw/zinc/93/83/28/568938328.db2.gz QNAPTQJVQWCIPV-NRFANRHFSA-N 0 0 410.539 4.575 50 0 HJAARN COc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c(OC)c1 ZINC000004079584 568939004 /nfs/dbraw/zinc/93/90/04/568939004.db2.gz SMECQIIXLPHVKU-UHFFFAOYSA-N 0 0 406.463 4.938 50 0 HJAARN CSc1ccc([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)OC3)cc1 ZINC000001430550 568940210 /nfs/dbraw/zinc/94/02/10/568940210.db2.gz MLNZWRGHQGMKTJ-MRXNPFEDSA-N 0 0 419.424 4.759 50 0 HJAARN CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2C)CSC3)cc1OCC ZINC000004087577 568941020 /nfs/dbraw/zinc/94/10/20/568941020.db2.gz SZPKMGMXKBERHB-UHFFFAOYSA-N 0 0 423.538 4.977 50 0 HJAARN COc1ccc(/C=C/C(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1OC ZINC000004087681 568941024 /nfs/dbraw/zinc/94/10/24/568941024.db2.gz PBWMZWAITLCDLA-CSKARUKUSA-N 0 0 401.875 4.528 50 0 HJAARN COc1ccc2c(c1OC)C(=O)N1C[C@H](c3ccc(C)o3)c3c4ccccc4[nH]c3[C@H]21 ZINC000004088910 568941548 /nfs/dbraw/zinc/94/15/48/568941548.db2.gz ASWRFPZKDMGSKF-MWTRTKDXSA-N 0 0 414.461 4.777 50 0 biogenic HJAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCc1ccco1)oc1c3CCCC1 ZINC000004089507 568941640 /nfs/dbraw/zinc/94/16/40/568941640.db2.gz ADHDMMNUDCHHLI-UHFFFAOYSA-N 0 0 405.450 4.568 50 0 biogenic HJAARN CC(=O)c1cccc(NC(=O)CCc2nnc(-c3cccc(C(F)(F)F)c3)o2)c1 ZINC000012755675 568942894 /nfs/dbraw/zinc/94/28/94/568942894.db2.gz MMJGUOJIJSJGCI-UHFFFAOYSA-N 0 0 403.360 4.529 50 0 HJAARN O=C(Nc1ccc(Br)cc1)c1nccnc1-c1nc2ccccc2s1 ZINC000012757860 568943317 /nfs/dbraw/zinc/94/33/17/568943317.db2.gz TUYCMDAEWJZVRO-UHFFFAOYSA-N 0 0 411.284 4.768 50 0 HJAARN Cc1ccc(-n2c(SCC(=O)c3ccccc3)nc3c(c2=O)S[C@@H](C)C3)cc1 ZINC000004108130 568943782 /nfs/dbraw/zinc/94/37/82/568943782.db2.gz FSKARYWVUWZFGG-HNNXBMFYSA-N 0 0 408.548 4.553 50 0 HJAARN CCOc1ccc2nc(NC(=O)CCC(=O)O[C@@H]3CC[C@@H](C)[C@H](C)C3)sc2c1 ZINC000004112027 568944171 /nfs/dbraw/zinc/94/41/71/568944171.db2.gz HPDUZEAHPLHGLC-IIAWOOMASA-N 0 0 404.532 4.782 50 0 HJAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H](C)c2ccccc2Cl)cc1 ZINC000012756761 568944292 /nfs/dbraw/zinc/94/42/92/568944292.db2.gz HBGBRCCVVQYNKV-AWEZNQCLSA-N 0 0 400.935 4.837 50 0 HJAARN Cc1nc(-c2c[nH]c(C(=O)N3CCCCC[C@H]3C[C@H](O)c3ccccc3)c2)cs1 ZINC000084274917 568945658 /nfs/dbraw/zinc/94/56/58/568945658.db2.gz OGLXIALFLDWJMJ-UGKGYDQZSA-N 0 0 409.555 4.955 50 0 HJAARN COc1cccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2C)CSC3)c1OC ZINC000004176165 568948643 /nfs/dbraw/zinc/94/86/43/568948643.db2.gz YTWDHGAQZQXUME-UHFFFAOYSA-N 0 0 409.511 4.505 50 0 HJAARN Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(Br)cc3F)c12 ZINC000012766326 568948737 /nfs/dbraw/zinc/94/87/37/568948737.db2.gz LTRHOLXJBUXNLW-UHFFFAOYSA-N 0 0 416.206 4.945 50 0 HJAARN O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)c1cc(-c2ccco2)on1 ZINC000084432874 568949102 /nfs/dbraw/zinc/94/91/02/568949102.db2.gz KGAUUZCORJQTTN-UHFFFAOYSA-N 0 0 421.280 4.720 50 0 HJAARN O=C(N[C@H]1CCSc2c(F)cccc21)c1sccc1NC(=O)c1ccncc1 ZINC000084445650 568949163 /nfs/dbraw/zinc/94/91/63/568949163.db2.gz YCHDSDVGCOSKNV-HNNXBMFYSA-N 0 0 413.499 4.501 50 0 HJAARN O=C(OCc1cc(Cl)cc2c1OCOC2)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000084514411 568950037 /nfs/dbraw/zinc/95/00/37/568950037.db2.gz UHLPMBOTPLKQKP-UHFFFAOYSA-N 0 0 405.237 4.607 50 0 HJAARN O=C(COc1ccccc1Cc1ccccc1)Nc1ccc(NC(=O)NC2CC2)cc1 ZINC000084541437 568950891 /nfs/dbraw/zinc/95/08/91/568950891.db2.gz DXZQGHKMCUOTOR-UHFFFAOYSA-N 0 0 415.493 4.579 50 0 HJAARN Cc1nc2sc3c(c2c(-c2ccccc2)c1C(=O)N1CCOCC1)CC[C@H](C)C3 ZINC000012772156 568952173 /nfs/dbraw/zinc/95/21/73/568952173.db2.gz DTGLSSXCAFXZKK-HNNXBMFYSA-N 0 0 406.551 4.869 50 0 HJAARN O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)[C@H]1COc2ccccc2O1 ZINC000004224286 568952441 /nfs/dbraw/zinc/95/24/41/568952441.db2.gz GUMFMBKWCBBOHQ-MRXNPFEDSA-N 0 0 407.278 4.895 50 0 HJAARN O=C(COc1ccc2ccccc2c1)Nc1c2c(nn1-c1ccccc1)CSC2 ZINC000004223624 568952513 /nfs/dbraw/zinc/95/25/13/568952513.db2.gz UXPMSCVHQQSCFN-UHFFFAOYSA-N 0 0 401.491 4.790 50 0 HJAARN Cc1ccc(C)c2[nH]c(=O)c(CCNC(=S)Nc3cccc(C(F)(F)F)c3)cc12 ZINC000004225391 568952647 /nfs/dbraw/zinc/95/26/47/568952647.db2.gz QAKQEZQCNKANDM-UHFFFAOYSA-N 0 0 419.472 4.693 50 0 HJAARN FC(F)(F)Cn1c(SCc2cc(Cl)nc(Cl)c2)nnc1-c1ccncc1 ZINC000084615193 568953172 /nfs/dbraw/zinc/95/31/72/568953172.db2.gz BFNCPXSNFIVKCQ-UHFFFAOYSA-N 0 0 420.247 4.897 50 0 HJAARN C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1 ZINC000004244394 568953318 /nfs/dbraw/zinc/95/33/18/568953318.db2.gz KDMDQOFNNSFQLI-KRWDZBQOSA-N 0 0 424.545 4.626 50 0 HJAARN COc1ccc(-n2ccnc2SCC(=O)Nc2cccc3ccccc32)c(OC)c1 ZINC000004248691 568953731 /nfs/dbraw/zinc/95/37/31/568953731.db2.gz WVUBPROVFWQMHL-UHFFFAOYSA-N 0 0 419.506 4.774 50 0 HJAARN CCOc1ccc(NC(=O)CSc2nccn2Cc2ccc(Cl)cc2)cc1 ZINC000004248806 568953941 /nfs/dbraw/zinc/95/39/41/568953941.db2.gz XTVDEPLZZFDFGZ-UHFFFAOYSA-N 0 0 401.919 4.714 50 0 HJAARN COc1ccc(-c2cn3nc(SCC(=O)Nc4cccc(C)c4C)ccc3n2)cc1 ZINC000004251196 568955168 /nfs/dbraw/zinc/95/51/68/568955168.db2.gz VCEUJNFJGPRIPN-UHFFFAOYSA-N 0 0 418.522 4.753 50 0 HJAARN Cc1cc(C(=O)COC(=O)COc2cc(C)ccc2C(C)C)c(C)n1Cc1ccco1 ZINC000012776969 568955395 /nfs/dbraw/zinc/95/53/95/568955395.db2.gz DEUARJZXQKLFJI-UHFFFAOYSA-N 0 0 423.509 4.983 50 0 HJAARN Cc1nc(C)c(-c2nnc(SCC(=O)c3cc(C)ccc3OC(F)F)o2)s1 ZINC000012777808 568955981 /nfs/dbraw/zinc/95/59/81/568955981.db2.gz DVOQMWGJBGISOG-UHFFFAOYSA-N 0 0 411.455 4.695 50 0 HJAARN CC(C)[C@@H](NC(=O)NCc1ccc(OC(F)F)cc1)c1ccc2c(c1)OCCCO2 ZINC000012779718 568956669 /nfs/dbraw/zinc/95/66/69/568956669.db2.gz OAGRLVGEQRXXBA-HXUWFJFHSA-N 0 0 420.456 4.646 50 0 HJAARN CC(C)[C@H](NC(=O)NCc1ccc(OC(F)F)cc1)c1ccc2c(c1)OCCCO2 ZINC000012779724 568956712 /nfs/dbraw/zinc/95/67/12/568956712.db2.gz OAGRLVGEQRXXBA-FQEVSTJZSA-N 0 0 420.456 4.646 50 0 HJAARN COc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccc(C(C)=O)cc3)nc21 ZINC000004273234 568957643 /nfs/dbraw/zinc/95/76/43/568957643.db2.gz YVBKFIXFZLOXTG-UHFFFAOYSA-N 0 0 417.490 4.750 50 0 HJAARN C[C@H]1CCCN(Cc2csc(NC(=O)COc3ccc(Cl)cc3Cl)n2)C1 ZINC000012780694 568957711 /nfs/dbraw/zinc/95/77/11/568957711.db2.gz UHKPWWJHVFVFBG-LBPRGKRZSA-N 0 0 414.358 4.699 50 0 HJAARN CSc1ccc(CN(C)C(=O)CCn2c(-c3ccc(C)cc3)n[nH]c2=S)cc1 ZINC000012781687 568957944 /nfs/dbraw/zinc/95/79/44/568957944.db2.gz GOXDRKBQWUMYBG-UHFFFAOYSA-N 0 0 412.584 4.687 50 0 HJAARN CCOc1ccc(-c2nc(NC(=O)c3cc4ccccc4oc3=O)sc2C)cc1 ZINC000004279320 568958306 /nfs/dbraw/zinc/95/83/06/568958306.db2.gz CSAZQTXLECXHBX-UHFFFAOYSA-N 0 0 406.463 4.876 50 0 HJAARN CCCc1ccc(NC(=O)CNc2cccc(C(=O)N3CCc4ccccc43)c2)cc1 ZINC000084758993 568958426 /nfs/dbraw/zinc/95/84/26/568958426.db2.gz USIBDWMVJDHKEY-UHFFFAOYSA-N 0 0 413.521 4.893 50 0 HJAARN COc1ccc(-c2cc(C(=O)OCc3ccccn3)c3ccccc3n2)cc1OC ZINC000012783323 568958911 /nfs/dbraw/zinc/95/89/11/568958911.db2.gz SIDRVOCQYVFWKU-UHFFFAOYSA-N 0 0 400.434 4.671 50 0 HJAARN NC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 ZINC000007986326 568964655 /nfs/dbraw/zinc/96/46/55/568964655.db2.gz DQEHDQLAQQLARD-UHFFFAOYSA-N 0 0 407.282 4.860 50 0 HJAARN Cc1cc(C)nc(SCc2ccccc2C(=O)Nc2ccc3c(c2)OCCCO3)n1 ZINC000007988266 568965795 /nfs/dbraw/zinc/96/57/95/568965795.db2.gz MYXZWNZLDLGSAE-UHFFFAOYSA-N 0 0 421.522 4.799 50 0 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/nfs/dbraw/zinc/01/62/29/569016229.db2.gz OHYVDMBOQWGACH-UHFFFAOYSA-N 0 0 404.289 4.660 50 0 HJAARN Cc1ccc(S(=O)(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)c(C)c1 ZINC000015870540 569017341 /nfs/dbraw/zinc/01/73/41/569017341.db2.gz VHRLIEIJZVTCBZ-UHFFFAOYSA-N 0 0 419.550 4.776 50 0 HJAARN CCn1c(CCc2ccc(NS(=O)(=O)Cc3ccccc3)cc2)nc2ccccc21 ZINC000015870586 569017350 /nfs/dbraw/zinc/01/73/50/569017350.db2.gz LCVHXZWCWGURCG-UHFFFAOYSA-N 0 0 419.550 4.783 50 0 HJAARN COc1ccccc1NC(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1 ZINC000015880645 569018343 /nfs/dbraw/zinc/01/83/43/569018343.db2.gz HKIVQGSLDMOULM-UHFFFAOYSA-N 0 0 416.890 4.630 50 0 HJAARN CCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2cccc(C(F)(F)F)c2)o1 ZINC000015881394 569018460 /nfs/dbraw/zinc/01/84/60/569018460.db2.gz PRWMWFALOBVTPU-UHFFFAOYSA-N 0 0 414.387 4.911 50 0 HJAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCCC4)nn3)cc2)cc1C ZINC000015882217 569019024 /nfs/dbraw/zinc/01/90/24/569019024.db2.gz FSSVGCRFIUBGHN-UHFFFAOYSA-N 0 0 422.554 4.552 50 0 HJAARN Cc1ccc(C)c(NC(=O)c2ccc(=O)n(Cc3ccc(C(F)(F)F)cc3)c2)c1 ZINC000015883277 569019291 /nfs/dbraw/zinc/01/92/91/569019291.db2.gz MYKNANSITBYYEC-UHFFFAOYSA-N 0 0 400.400 4.785 50 0 HJAARN COc1cccc(-c2nc(C(=O)N3CCC(c4ccccc4)CC3)cs2)c1OC ZINC000012885613 569019715 /nfs/dbraw/zinc/01/97/15/569019715.db2.gz HGIDJBIWSQSDCF-UHFFFAOYSA-N 0 0 408.523 4.847 50 0 HJAARN COc1ccc(NC(=O)c2ccc(-n3nncc3-c3ccc(C)cc3)cc2)cc1OC ZINC000012893932 569020099 /nfs/dbraw/zinc/02/00/99/569020099.db2.gz LBMAXVFOWJCDSW-UHFFFAOYSA-N 0 0 414.465 4.512 50 0 HJAARN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cc2c(s1)CCCCCC2 ZINC000012893908 569020100 /nfs/dbraw/zinc/02/01/00/569020100.db2.gz GMAPVDHBRFQMDU-OAHLLOKOSA-N 0 0 405.585 4.644 50 0 HJAARN Cc1nc(-c2ccc(CCNC(=O)c3ccccc3Br)cc2)cs1 ZINC000012894525 569020201 /nfs/dbraw/zinc/02/02/01/569020201.db2.gz WPGAFLSOALDRMM-UHFFFAOYSA-N 0 0 401.329 4.854 50 0 HJAARN CN(Cc1c(F)cccc1Cl)C(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000012898717 569020479 /nfs/dbraw/zinc/02/04/79/569020479.db2.gz BGNWGQNYIQHEHE-UHFFFAOYSA-N 0 0 403.881 4.721 50 0 HJAARN O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(I)cc1 ZINC000012905523 569021209 /nfs/dbraw/zinc/02/12/09/569021209.db2.gz OAXZHJQLBXYFLW-UHFFFAOYSA-N 0 0 406.248 4.667 50 0 HJAARN Cc1ccc(-c2csc(NC(=O)[C@H]3CCCN(C(=O)c4ccoc4)C3)n2)cc1C ZINC000012907032 569021350 /nfs/dbraw/zinc/02/13/50/569021350.db2.gz NWOKKZVWYYKBFG-KRWDZBQOSA-N 0 0 409.511 4.511 50 0 HJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000012911742 569021755 /nfs/dbraw/zinc/02/17/55/569021755.db2.gz VVJTUCXHSYGODI-HXUWFJFHSA-N 0 0 402.416 4.628 50 0 HJAARN CCc1ccc([C@H](N[C@@H](C(=O)N2CCOCC2)c2ccccc2)c2cccs2)cc1 ZINC000012909375 569021763 /nfs/dbraw/zinc/02/17/63/569021763.db2.gz WKFQPRPZMMNQED-BJKOFHAPSA-N 0 0 420.578 4.590 50 0 HJAARN O=C(CCc1nc2ccccc2s1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000012911922 569021828 /nfs/dbraw/zinc/02/18/28/569021828.db2.gz KEVZPIWGGALXSK-GOSISDBHSA-N 0 0 408.523 4.754 50 0 HJAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)Nc1ccccc1C)CC2 ZINC000012911947 569021838 /nfs/dbraw/zinc/02/18/38/569021838.db2.gz WDZKBAXAQKOVKO-AREMUKBSSA-N 0 0 416.521 4.598 50 0 HJAARN O=C(CCn1cnc2scc(-c3ccccc3)c2c1=O)Nc1cccc(Cl)c1 ZINC000012925145 569023617 /nfs/dbraw/zinc/02/36/17/569023617.db2.gz VRMHQKXXIISORA-UHFFFAOYSA-N 0 0 409.898 4.807 50 0 HJAARN COc1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)cc1OC(F)F ZINC000012925232 569023720 /nfs/dbraw/zinc/02/37/20/569023720.db2.gz NLIQXKZGIGYFSY-UHFFFAOYSA-N 0 0 418.421 4.863 50 0 HJAARN Cc1nc(C2(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)CCCCC2)no1 ZINC000012927023 569023876 /nfs/dbraw/zinc/02/38/76/569023876.db2.gz VJGYFVQZMPBRJR-UHFFFAOYSA-N 0 0 403.548 4.564 50 0 HJAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N(C)Cc1nc2ccccc2s1 ZINC000012927481 569023986 /nfs/dbraw/zinc/02/39/86/569023986.db2.gz TWWHVWOYISVGDY-ZDUSSCGKSA-N 0 0 403.935 4.726 50 0 HJAARN Cc1ccc(Cl)c(NC(=O)CN2CCC[C@H](C(=O)Nc3ccccc3)C2)c1Cl ZINC000012932280 569024875 /nfs/dbraw/zinc/02/48/75/569024875.db2.gz ABHFCXVYSFIATB-HNNXBMFYSA-N 0 0 420.340 4.591 50 0 HJAARN COc1ccc(OC)c(CNC(=O)c2ccccc2SCc2c(C)noc2C)c1 ZINC000012941657 569028637 /nfs/dbraw/zinc/02/86/37/569028637.db2.gz BHJGGZZAVCVQKR-UHFFFAOYSA-N 0 0 412.511 4.531 50 0 HJAARN CCCOc1ccc(NC(=O)NCC(=O)Nc2cc(C)cc(C)c2)cc1OCCC ZINC000012945495 569029088 /nfs/dbraw/zinc/02/90/88/569029088.db2.gz ZQAXAGHQQDKLPC-UHFFFAOYSA-N 0 0 413.518 4.641 50 0 HJAARN CC[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2n1-c1ccc(OC)cc1 ZINC000006187344 569029497 /nfs/dbraw/zinc/02/94/97/569029497.db2.gz CNKUYBKBHQTUKS-QGZVFWFLSA-N 0 0 409.555 4.917 50 0 HJAARN O=c1[nH]c2sc3c(c2c2nnc(SCc4ccc5ccccc5c4)n21)CCC3 ZINC000006198307 569031467 /nfs/dbraw/zinc/03/14/67/569031467.db2.gz RGYGZUVNCAGPLK-UHFFFAOYSA-N 0 0 404.520 4.567 50 0 HJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)o1 ZINC000575609730 569032311 /nfs/dbraw/zinc/03/23/11/569032311.db2.gz FYYIWAZEQRXNPN-MRXNPFEDSA-N 0 0 405.903 4.669 50 0 HJAARN O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CC[C@H](Oc2ccncc2Cl)C1 ZINC000575610608 569032373 /nfs/dbraw/zinc/03/23/73/569032373.db2.gz LMKJAXLBHLMRDQ-KRWDZBQOSA-N 0 0 419.868 4.837 50 0 HJAARN Cc1cc(Cl)ccc1OCC(=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000006217091 569033274 /nfs/dbraw/zinc/03/32/74/569033274.db2.gz GQDUPAZIISHOPO-MRXNPFEDSA-N 0 0 416.930 4.849 50 0 HJAARN Cc1ccc(C)c(OCCC(=O)Nc2nnc(SCc3ccccc3F)s2)c1 ZINC000006237400 569034105 /nfs/dbraw/zinc/03/41/05/569034105.db2.gz VVNFVILVVCRTEG-UHFFFAOYSA-N 0 0 417.531 4.994 50 0 HJAARN CC[C@H](C(=O)Nc1cc(Cl)ccc1OC)n1c(C(=O)OC)cc2ccsc21 ZINC000035397126 569034797 /nfs/dbraw/zinc/03/47/97/569034797.db2.gz KXIPCWBBZQYZKA-CQSZACIVSA-N 0 0 406.891 4.741 50 0 HJAARN Cc1ccc([C@H](C)NC(=O)C2CCN(c3ccc(-c4cccc(C)c4)nn3)CC2)cc1 ZINC000035398421 569035163 /nfs/dbraw/zinc/03/51/63/569035163.db2.gz CQDOVVWLNISORH-FQEVSTJZSA-N 0 0 414.553 4.854 50 0 HJAARN O=C(CSCc1ccc(F)cc1)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000035399437 569035258 /nfs/dbraw/zinc/03/52/58/569035258.db2.gz UMQDGNCODVFZQT-UHFFFAOYSA-N 0 0 421.541 4.793 50 0 biogenic HJAARN Cc1ccc(NC(=O)CN2CC=C(c3cnn(-c4ccccc4)c3)CC2)c(Cl)c1 ZINC000035404193 569035720 /nfs/dbraw/zinc/03/57/20/569035720.db2.gz JXXFYUSQYGCNBO-UHFFFAOYSA-N 0 0 406.917 4.562 50 0 HJAARN COc1ccc2cc(S(=O)(=O)c3ccc(C)cc3)/c(=N/Nc3ccccc3)oc2c1 ZINC000575615195 569036048 /nfs/dbraw/zinc/03/60/48/569036048.db2.gz GCJJNIFLKKAABP-BZZOAKBMSA-N 0 0 420.490 4.510 50 0 HJAARN COc1ccc(OC)c(NC(=O)c2nc3ccccc3c(Nc3ccc(C)cc3)n2)c1 ZINC000035429726 569036886 /nfs/dbraw/zinc/03/68/86/569036886.db2.gz BQBILQFKFMKGNG-UHFFFAOYSA-N 0 0 414.465 4.951 50 0 HJAARN CCc1ccc(NC(=O)N2CCC3(CC2)Nc2cc(OC)ccc2-n2cccc23)cc1 ZINC000035446843 569037242 /nfs/dbraw/zinc/03/72/42/569037242.db2.gz VKQVIJMWAISHAG-UHFFFAOYSA-N 0 0 416.525 4.997 50 0 biogenic HJAARN O=C(c1cccc(Cl)c1)N1CCC[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000035447454 569037339 /nfs/dbraw/zinc/03/73/39/569037339.db2.gz XSJIBEXCUVFOGY-QFIPXVFZSA-N 0 0 424.972 4.674 50 0 HJAARN Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc4ccccc43)n2C)cc1 ZINC000006300422 569038250 /nfs/dbraw/zinc/03/82/50/569038250.db2.gz YIWMWGHVCIEINA-UHFFFAOYSA-N 0 0 418.522 4.587 50 0 HJAARN Brc1ccc(Nc2c(-c3ccc4c(c3)OCO4)nc3cnccn32)cc1 ZINC000035477281 569038384 /nfs/dbraw/zinc/03/83/84/569038384.db2.gz CRAGJGHZJWKSML-UHFFFAOYSA-N 0 0 409.243 4.631 50 0 HJAARN CCSc1nnc(NC(=O)c2sc(COc3cccc(C)c3)nc2C)s1 ZINC000035476101 569038423 /nfs/dbraw/zinc/03/84/23/569038423.db2.gz XEBMKQBIEYPHSD-UHFFFAOYSA-N 0 0 406.558 4.555 50 0 HJAARN c1ccc(COc2ccc(CN3CC(c4nc(Cc5ccccc5)no4)C3)cc2)cc1 ZINC000090563472 569041199 /nfs/dbraw/zinc/04/11/99/569041199.db2.gz QIUZEXFPONOIGQ-UHFFFAOYSA-N 0 0 411.505 4.839 50 0 HJAARN COc1cc(C)ccc1O[C@@H](C)C(=O)NCc1sc(-c2cccs2)nc1C ZINC000090592684 569041569 /nfs/dbraw/zinc/04/15/69/569041569.db2.gz YXJPTUUKVSCCLR-AWEZNQCLSA-N 0 0 402.541 4.581 50 0 HJAARN Cc1nc(-c2ccccc2Cl)sc1CNS(=O)(=O)/C=C/c1ccccc1 ZINC000090593342 569041580 /nfs/dbraw/zinc/04/15/80/569041580.db2.gz QDGLZNUWDUXJEX-VAWYXSNFSA-N 0 0 404.944 4.862 50 0 HJAARN Cc1csc(SCC2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)n1 ZINC000090608137 569042207 /nfs/dbraw/zinc/04/22/07/569042207.db2.gz CYDNRRKBEOFCSD-UHFFFAOYSA-N 0 0 416.490 4.995 50 0 HJAARN O=S(=O)(Cc1ccc(C(F)(F)F)cc1)N(Cc1ccoc1)Cc1cccs1 ZINC000090612223 569042841 /nfs/dbraw/zinc/04/28/41/569042841.db2.gz PKTRZPUFDUELJH-UHFFFAOYSA-N 0 0 415.458 4.892 50 0 HJAARN O=C(NCc1ccc([C@@H](O)c2cccs2)s1)c1ccc(OC(F)(F)F)cc1 ZINC000090613662 569042904 /nfs/dbraw/zinc/04/29/04/569042904.db2.gz OSDZOJWZAARKHV-INIZCTEOSA-N 0 0 413.442 4.720 50 0 HJAARN CCCC(=O)c1cn(CC(=O)N[C@H](C)c2ccc3c(c2)OCCCO3)c2ccccc12 ZINC000035511660 569043082 /nfs/dbraw/zinc/04/30/82/569043082.db2.gz DXHXQSPQAOYSRX-QGZVFWFLSA-N 0 0 420.509 4.663 50 0 HJAARN COc1ccc(C)cc1NC(=O)c1c(C)onc1-c1cccc(Br)c1 ZINC000035536452 569043604 /nfs/dbraw/zinc/04/36/04/569043604.db2.gz VSGDTVJXZFAAHQ-UHFFFAOYSA-N 0 0 401.260 4.982 50 0 HJAARN O=C(c1ccc(OC[C@@H]2CCCN(C(=O)C3CCCCC3)C2)cc1)N1CCCCC1 ZINC000035528164 569044017 /nfs/dbraw/zinc/04/40/17/569044017.db2.gz AAIIAWIYKLYCQV-HXUWFJFHSA-N 0 0 412.574 4.510 50 0 HJAARN O=C(c1cccc(F)c1)N(Cc1ccc(F)cc1F)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000035529140 569044123 /nfs/dbraw/zinc/04/41/23/569044123.db2.gz OUUREVPCGJTCGK-NRFANRHFSA-N 0 0 424.422 4.940 50 0 HJAARN CCN(Cc1ccccc1)S(=O)(=O)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557596 569044808 /nfs/dbraw/zinc/04/48/08/569044808.db2.gz TZEWESLOKDZSOC-UHFFFAOYSA-N 0 0 417.556 4.667 50 0 HJAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557578 569044820 /nfs/dbraw/zinc/04/48/20/569044820.db2.gz HAWQLLFRNCIMMH-CYBMUJFWSA-N 0 0 415.540 4.596 50 0 HJAARN Cc1cccc(C)c1OCCn1c(CN(C)C(=O)c2ccco2)nc2ccccc21 ZINC000035558798 569044849 /nfs/dbraw/zinc/04/48/49/569044849.db2.gz FXSCPRPEUNALEW-UHFFFAOYSA-N 0 0 403.482 4.597 50 0 HJAARN CC[C@@H](C(=O)N1CCC2(CC1)SCCN2C(=O)c1ccc(C)cc1)c1ccccc1 ZINC000006358694 569045288 /nfs/dbraw/zinc/04/52/88/569045288.db2.gz UBPQHMUNWCMHIZ-JOCHJYFZSA-N 0 0 422.594 4.697 50 0 HJAARN O=C(Cc1csc(-n2cccc2)n1)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000035598488 569045928 /nfs/dbraw/zinc/04/59/28/569045928.db2.gz KMEBKSQRZSYXGW-UHFFFAOYSA-N 0 0 400.463 4.923 50 0 HJAARN CCn1c(SCc2noc(-c3ccc(Cl)cc3)n2)nnc1-c1ccoc1C ZINC000012980426 569046293 /nfs/dbraw/zinc/04/62/93/569046293.db2.gz OXZNSDYUJUAGKF-UHFFFAOYSA-N 0 0 401.879 4.862 50 0 HJAARN CC[C@H](Sc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(F)cc1)C(=O)OC ZINC000006387840 569046364 /nfs/dbraw/zinc/04/63/64/569046364.db2.gz PQRHSZWQVCTIMF-SFHVURJKSA-N 0 0 410.474 4.598 50 0 HJAARN COc1ccc(-c2nnc(SCC(=O)c3ccc[nH]3)n2-c2ccc(C)cc2)cc1 ZINC000006390872 569046506 /nfs/dbraw/zinc/04/65/06/569046506.db2.gz FKUZONHBJLAQMC-UHFFFAOYSA-N 0 0 404.495 4.554 50 0 HJAARN CC(=O)N(c1nc(COc2ccc(-c3nnco3)cc2)cs1)c1ccccc1F ZINC000012981101 569046833 /nfs/dbraw/zinc/04/68/33/569046833.db2.gz VXPPAELEZGZIKJ-UHFFFAOYSA-N 0 0 410.430 4.596 50 0 HJAARN Cc1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1NS(=O)(=O)c1ccccc1 ZINC000040106661 569048101 /nfs/dbraw/zinc/04/81/01/569048101.db2.gz TXYBEPMYUGXWBF-GXDHUFHOSA-N 0 0 410.470 4.587 50 0 HJAARN Cc1ccc([C@@H](NC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)c2ccccc2)cc1C ZINC000012998496 569048871 /nfs/dbraw/zinc/04/88/71/569048871.db2.gz HBJJBRPMUSQLKX-UPVQGACJSA-N 0 0 416.521 4.654 50 0 HJAARN Cc1ccc([C@H](NC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)c2ccccc2)cc1C ZINC000012998498 569048883 /nfs/dbraw/zinc/04/88/83/569048883.db2.gz HBJJBRPMUSQLKX-LADGPHEKSA-N 0 0 416.521 4.654 50 0 HJAARN O=C(Nc1cc(F)c(F)c(F)c1)[C@@H]1CC(=O)Nc2c(-c3ccc(Cl)cc3)cnn21 ZINC000035684757 569049939 /nfs/dbraw/zinc/04/99/39/569049939.db2.gz QXRQCXMJZSVENR-HNNXBMFYSA-N 0 0 420.778 4.792 50 0 HJAARN CCN(CC)C(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C\c1cccs1)CC2 ZINC000097656544 569050024 /nfs/dbraw/zinc/05/00/24/569050024.db2.gz WNFGEEFCPNEYDE-PEZBUJJGSA-N 0 0 420.534 4.808 50 0 HJAARN COc1ccccc1CN/C=C1\c2ccccc2C(=O)N(c2ccccc2Cl)C1=O ZINC000103004436 569050309 /nfs/dbraw/zinc/05/03/09/569050309.db2.gz YUICVDVDWIJWEK-XDJHFCHBSA-N 0 0 418.880 4.666 50 0 HJAARN COc1ccc(CCc2nc3nccc(-c4ccc5ccccc5c4)n3n2)cc1OC ZINC000253414280 569051476 /nfs/dbraw/zinc/05/14/76/569051476.db2.gz WZBNTENPACZYQJ-UHFFFAOYSA-N 0 0 410.477 4.747 50 0 HJAARN CC(C)(C)[C@@H]1CCc2c(sc3nnn(Cc4c(F)cccc4Cl)c(=O)c32)C1 ZINC000001785001 569052935 /nfs/dbraw/zinc/05/29/35/569052935.db2.gz DHZYUZGXPFCCSJ-LLVKDONJSA-N 0 0 405.926 4.845 50 0 HJAARN Cc1nnc(CSc2nc3cc(Cl)ccc3c(=O)n2-c2ccc(Cl)cc2)o1 ZINC000035714018 569053029 /nfs/dbraw/zinc/05/30/29/569053029.db2.gz FNSHBVCCRIYPTK-UHFFFAOYSA-N 0 0 419.293 4.676 50 0 HJAARN C[C@H]1CCc2c(sc3ncn(CC(=O)Nc4cc(Cl)cc(Cl)c4)c(=O)c32)C1 ZINC000001787510 569053049 /nfs/dbraw/zinc/05/30/49/569053049.db2.gz CRZCGSSJEHCDQW-JTQLQIEISA-N 0 0 422.337 4.528 50 0 HJAARN O=C(COc1c(=O)c2ccccc2oc1-c1ccccc1Cl)NC1CCCCC1 ZINC000001792174 569053230 /nfs/dbraw/zinc/05/32/30/569053230.db2.gz DJXPJYNPWYAHBN-UHFFFAOYSA-N 0 0 411.885 4.941 50 0 HJAARN CN(C)c1ccc([C@@H](CC(=O)c2ccc(Br)cc2)SCCO)cc1 ZINC000001793591 569053305 /nfs/dbraw/zinc/05/33/05/569053305.db2.gz YAVUYWZAUMWCRP-LJQANCHMSA-N 0 0 408.361 4.555 50 0 HJAARN COc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4cccc5ccccc54)C3)n2)cc1 ZINC000035726365 569053377 /nfs/dbraw/zinc/05/33/77/569053377.db2.gz SCGKLVZRDXXODO-LJQANCHMSA-N 0 0 413.477 4.918 50 0 HJAARN Cc1nn(C)c(C)c1/C=C1/C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@H]1O ZINC000245240695 569055310 /nfs/dbraw/zinc/05/53/10/569055310.db2.gz RPEZSVJLASPKQK-GFXCWGIQSA-N 0 0 410.602 4.715 50 0 HJAARN COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(OC)c(OC)c2)c1 ZINC000245255438 569055469 /nfs/dbraw/zinc/05/54/69/569055469.db2.gz ICSNMCWEKQKFEQ-BWKNWUBXSA-N 0 0 416.477 4.955 50 0 HJAARN Cc1sc(NC(=O)c2ccco2)c(CN2CCN(c3ccc(F)cc3)CC2)c1C ZINC000054072984 569056955 /nfs/dbraw/zinc/05/69/55/569056955.db2.gz RXOZQHFEQXFBKO-UHFFFAOYSA-N 0 0 413.518 4.672 50 0 HJAARN CC[C@@H](C)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)C(C)(C)C ZINC000035769636 569058211 /nfs/dbraw/zinc/05/82/11/569058211.db2.gz GSAMHBVGUMEXJW-MRXNPFEDSA-N 0 0 421.534 4.767 50 0 HJAARN CCOc1ccc(NC(=O)c2sc3[nH]c(Cc4ccccc4)nc(=O)c3c2C)cc1 ZINC000016506480 569058301 /nfs/dbraw/zinc/05/83/01/569058301.db2.gz HUQWGMSQICDFRH-UHFFFAOYSA-N 0 0 419.506 4.535 50 0 HJAARN CCc1ccc(NC(=O)N(Cc2ccc(OS(=O)(=O)CC)cc2)[C@H](C)CC)cc1 ZINC000035769912 569058307 /nfs/dbraw/zinc/05/83/07/569058307.db2.gz SIEYZZVSGJVXML-QGZVFWFLSA-N 0 0 418.559 4.810 50 0 HJAARN CCCCCC(=O)N(CCC)CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1 ZINC000035809313 569060951 /nfs/dbraw/zinc/06/09/51/569060951.db2.gz PBYPUKIBJQLMTR-UHFFFAOYSA-N 0 0 412.574 4.978 50 0 HJAARN CCc1ccc(-c2nc3c(c(=O)[nH]2)CN(C(=O)Nc2cccc4ccccc42)CC3)cc1 ZINC000035829315 569061617 /nfs/dbraw/zinc/06/16/17/569061617.db2.gz JBIVPMRGFYHLQR-UHFFFAOYSA-N 0 0 424.504 4.743 50 0 HJAARN C1OC2(CCCCC2)O[C@H]1[C@@H]1OC2(CCCCC2)O[C@H]1[C@H]1COC2(CCCCC2)O1 ZINC000064427922 569061691 /nfs/dbraw/zinc/06/16/91/569061691.db2.gz WGMZNGZBEGHRHH-CGXNFDGLSA-N 0 0 422.562 4.582 50 0 HJAARN Cc1cccc(-c2noc([C@@H](Cc3ccccc3)NC(=O)c3cccc(F)c3)n2)c1 ZINC000035845250 569062604 /nfs/dbraw/zinc/06/26/04/569062604.db2.gz DKGJGYOAZGLXGU-OAQYLSRUSA-N 0 0 401.441 4.898 50 0 HJAARN Cc1ccc(Cc2nc3nc4c(c(Nc5ccc(F)c(F)c5)n3n2)CCCC4)cc1 ZINC000064449990 569062748 /nfs/dbraw/zinc/06/27/48/569062748.db2.gz GUKILZPLSNNLJP-UHFFFAOYSA-N 0 0 405.452 4.924 50 0 HJAARN COc1ccc(NC(=O)c2cc(-c3cccnc3)n(-c3ccc(F)cc3)n2)cc1Cl ZINC000064472852 569063456 /nfs/dbraw/zinc/06/34/56/569063456.db2.gz SBLWTRPRPDLGIC-UHFFFAOYSA-N 0 0 422.847 4.988 50 0 HJAARN Cc1cc(C)cc(NC(=O)N2CCCN(c3nc4ccccc4n4cccc34)CC2)c1 ZINC000064473191 569063717 /nfs/dbraw/zinc/06/37/17/569063717.db2.gz AEPWJBJEKYZGRQ-UHFFFAOYSA-N 0 0 413.525 4.849 50 0 HJAARN COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(Cc2ccco2)CO4)cc1 ZINC000054278272 569064533 /nfs/dbraw/zinc/06/45/33/569064533.db2.gz LOFHDAHZVXTMHB-UHFFFAOYSA-N 0 0 403.434 4.722 50 0 HJAARN O=C(Nc1ccc2c(c1)CN(Cc1ccc(Cl)cc1)C(=O)CO2)c1cccc(F)c1 ZINC000035886163 569064583 /nfs/dbraw/zinc/06/45/83/569064583.db2.gz AXSYUWNDINRDBF-UHFFFAOYSA-N 0 0 424.859 4.653 50 0 HJAARN CN(C)C(=O)COC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1 ZINC000006544166 569065045 /nfs/dbraw/zinc/06/50/45/569065045.db2.gz RUIXCHUNACJUFF-UHFFFAOYSA-N 0 0 403.887 4.624 50 0 HJAARN CCCCc1nc2sc3c(c2c(N2CCC[C@@H](C(=O)OCC)C2)n1)CCCC3 ZINC000035892749 569065062 /nfs/dbraw/zinc/06/50/62/569065062.db2.gz MPPPUOSWYVHEMH-OAHLLOKOSA-N 0 0 401.576 4.692 50 0 HJAARN O=c1c(Cl)c(NCCNc2cccc3ccccc32)cnn1Cc1ccccc1 ZINC000006552275 569065251 /nfs/dbraw/zinc/06/52/51/569065251.db2.gz BLDHKFPWEHDWJI-UHFFFAOYSA-N 0 0 404.901 4.622 50 0 HJAARN CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 ZINC000006554362 569065436 /nfs/dbraw/zinc/06/54/36/569065436.db2.gz OEPZPULQLPNDNN-IBGZPJMESA-N 0 0 401.532 4.895 50 0 HJAARN COc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccccc3F)cc2)cc1 ZINC000035912175 569065999 /nfs/dbraw/zinc/06/59/99/569065999.db2.gz SKHHVFHGBGGKDS-QHCPKHFHSA-N 0 0 422.481 4.865 50 0 HJAARN COc1cc(CSc2nnc(NC(=O)c3cccc(Cl)c3)s2)cc(OC)c1 ZINC000035924427 569066153 /nfs/dbraw/zinc/06/61/53/569066153.db2.gz IJXNLPUXKOPPAV-UHFFFAOYSA-N 0 0 421.931 4.753 50 0 HJAARN COc1ccccc1N1C(=O)CS[C@H]1c1ccccc1NC(=O)c1ccccc1F ZINC000035925135 569066352 /nfs/dbraw/zinc/06/63/52/569066352.db2.gz ZGCOFLFDELLIEP-QHCPKHFHSA-N 0 0 422.481 4.865 50 0 HJAARN CCc1cccc(Nc2cc(C(=O)N3CCSCC3)nc3c(OC)cccc23)c1 ZINC000064568507 569067589 /nfs/dbraw/zinc/06/75/89/569067589.db2.gz SWWYPCLAJAJBCW-UHFFFAOYSA-N 0 0 407.539 4.738 50 0 HJAARN COc1cccc2c(Nc3cc(C)ccc3C)cc(C(=O)N3CCSCC3)nc12 ZINC000064568499 569067602 /nfs/dbraw/zinc/06/76/02/569067602.db2.gz AVYPNKAQYMFARR-UHFFFAOYSA-N 0 0 407.539 4.793 50 0 HJAARN COc1ccc(CNC(=O)c2cccc(-c3cc(Oc4ccccc4)ncn3)c2)cc1 ZINC000064578575 569068252 /nfs/dbraw/zinc/06/82/52/569068252.db2.gz HMKYSUXSUBPUQX-UHFFFAOYSA-N 0 0 411.461 4.875 50 0 biogenic HJAARN COc1ccc(Oc2cc(-c3cccc(C(=O)NCc4ccccc4)c3)ncn2)cc1 ZINC000064578401 569068336 /nfs/dbraw/zinc/06/83/36/569068336.db2.gz JPUTVPHUHIDGTN-UHFFFAOYSA-N 0 0 411.461 4.875 50 0 biogenic HJAARN Cc1sc2nc(CN3CCC[C@@H]3c3cccc(Br)c3)[nH]c(=O)c2c1C ZINC000089562934 569070295 /nfs/dbraw/zinc/07/02/95/569070295.db2.gz LEADCWDEDSRVFO-OAHLLOKOSA-N 0 0 418.360 4.701 50 0 HJAARN CCc1nc2sc([C@H](c3ccc(Cl)cc3)[N@H+]3C[C@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000016690102 569070630 /nfs/dbraw/zinc/07/06/30/569070630.db2.gz JXOOTDTXDUCOPV-AHIWAGSCSA-N 0 0 404.967 4.780 50 0 HJAARN O=C(c1ccc(N2CCCN(Cc3ccccc3)C2=O)cc1)N1CCc2ccccc21 ZINC000064605402 569071023 /nfs/dbraw/zinc/07/10/23/569071023.db2.gz OHYMTROYUNYGTG-UHFFFAOYSA-N 0 0 411.505 4.722 50 0 HJAARN Cc1cc2c(nc(SCc3nc4ccccc4[nH]3)n(Cc3ccco3)c2=O)s1 ZINC000004384144 569071321 /nfs/dbraw/zinc/07/13/21/569071321.db2.gz XDIJUHJBCOXKKY-UHFFFAOYSA-N 0 0 408.508 4.576 50 0 HJAARN COc1ccc(-c2nc(NCc3ccccc3)n(C(=O)CCc3ccccc3)n2)cc1 ZINC000004813598 569071510 /nfs/dbraw/zinc/07/15/10/569071510.db2.gz GTDLBWFYDYEQJM-UHFFFAOYSA-N 0 0 412.493 4.839 50 0 HJAARN CCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000035980911 569071930 /nfs/dbraw/zinc/07/19/30/569071930.db2.gz YBIABXNHFSYHGG-UHFFFAOYSA-N 0 0 422.504 4.960 50 0 HJAARN Cc1ccc(-c2ncc(C(=O)NCc3ccccc3)c(N3CCCC[C@@H]3C)n2)cc1 ZINC000035987974 569074160 /nfs/dbraw/zinc/07/41/60/569074160.db2.gz PVBREVPYRHMJGL-IBGZPJMESA-N 0 0 400.526 4.761 50 0 HJAARN CCOc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(F)cc2)s1 ZINC000006623631 569075166 /nfs/dbraw/zinc/07/51/66/569075166.db2.gz ZWKKKTKSCTWDGW-UHFFFAOYSA-N 0 0 404.492 4.550 50 0 HJAARN COC(=O)c1[nH]c(C)c(C(=O)CN(CC2CCCCC2)C(=O)c2ccc(C)cc2)c1C ZINC000036002076 569075205 /nfs/dbraw/zinc/07/52/05/569075205.db2.gz JKHVFFMOTNANFV-UHFFFAOYSA-N 0 0 424.541 4.632 50 0 HJAARN COc1ccc(-c2cc(CN(Cc3ccco3)C(=O)C3CCCC3)no2)c(OC)c1 ZINC000036001797 569075234 /nfs/dbraw/zinc/07/52/34/569075234.db2.gz WZHMASCXAIDKBS-UHFFFAOYSA-N 0 0 410.470 4.671 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)Cc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)cc1 ZINC000006624651 569075609 /nfs/dbraw/zinc/07/56/09/569075609.db2.gz QTISHVBTNMQYOZ-UHFFFAOYSA-N 0 0 418.449 4.604 50 0 biogenic HJAARN COc1cc(-c2cc(CN(CC(C)C)C(=O)c3ccccc3)no2)cc(OC)c1OC ZINC000036012413 569075800 /nfs/dbraw/zinc/07/58/00/569075800.db2.gz KLDTZBANBBRAFB-UHFFFAOYSA-N 0 0 424.497 4.666 50 0 HJAARN COc1ccc(OC)c(-c2csc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)n2)c1 ZINC000006628317 569076149 /nfs/dbraw/zinc/07/61/49/569076149.db2.gz YNTUROSLTUIKCE-LBPRGKRZSA-N 0 0 418.902 4.887 50 0 HJAARN O=C1C[C@@H](c2ccc(Cl)cc2)c2scc(S(=O)(=O)c3ccccc3)c2N1 ZINC000064656637 569076814 /nfs/dbraw/zinc/07/68/14/569076814.db2.gz YNJQWRDZQHBLCQ-HNNXBMFYSA-N 0 0 403.912 4.708 50 0 HJAARN Cc1cccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2cccc(F)c2F)c1 ZINC000064657035 569077082 /nfs/dbraw/zinc/07/70/82/569077082.db2.gz XAHGYWFALNBDLM-AWEZNQCLSA-N 0 0 419.474 4.642 50 0 HJAARN CC(C)(C)c1ccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)cc1 ZINC000006639737 569078104 /nfs/dbraw/zinc/07/81/04/569078104.db2.gz HOBVMHOAHAYNNA-UHFFFAOYSA-N 0 0 411.505 4.995 50 0 HJAARN Cc1ccc(CNC(=O)c2ccc(C)c(NC(=O)c3nsc4ccccc43)c2)o1 ZINC000064666495 569078369 /nfs/dbraw/zinc/07/83/69/569078369.db2.gz HIMBAAVWBMSZQQ-UHFFFAOYSA-N 0 0 405.479 4.688 50 0 HJAARN CCN1c2ccc(-c3noc(-c4ccccn4)n3)cc2Sc2ccccc2C1=O ZINC000064666788 569078487 /nfs/dbraw/zinc/07/84/87/569078487.db2.gz DIRUYPHBQVPMEO-UHFFFAOYSA-N 0 0 400.463 4.930 50 0 HJAARN CCN1c2ccc(NC(=O)COc3ccccc3)cc2Sc2ccccc2C1=O ZINC000064666660 569078515 /nfs/dbraw/zinc/07/85/15/569078515.db2.gz LEYDRVNHSZLMRT-UHFFFAOYSA-N 0 0 404.491 4.835 50 0 HJAARN O=C(C[C@@H]1COc2cc(F)ccc2N1Cc1ccccc1)NCc1ccc(Cl)cc1 ZINC000064663456 569079525 /nfs/dbraw/zinc/07/95/25/569079525.db2.gz VANWPSMAPMEDDC-OAQYLSRUSA-N 0 0 424.903 4.953 50 0 HJAARN COc1ccccc1Nc1nnc(SCc2nnc(-c3cccs3)o2)s1 ZINC000006650277 569080542 /nfs/dbraw/zinc/08/05/42/569080542.db2.gz OGZYIDYGBNKREO-UHFFFAOYSA-N 0 0 403.514 4.694 50 0 HJAARN CCc1nc(-c2ccc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)cc2)cs1 ZINC000064677436 569081606 /nfs/dbraw/zinc/08/16/06/569081606.db2.gz 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CC(C)c1ccc(CN(Cc2nc(C(=O)NC3CC3)co2)Cc2ccccc2)cc1 ZINC000036073701 569086913 /nfs/dbraw/zinc/08/69/13/569086913.db2.gz NZTLZNQOBJWCDN-UHFFFAOYSA-N 0 0 403.526 4.893 50 0 HJAARN COc1ccc(-c2noc([C@@H]3CCCN3C(=O)Nc3cccc(SC)c3)n2)cc1 ZINC000064747562 569088829 /nfs/dbraw/zinc/08/88/29/569088829.db2.gz JLDWMDDLFOUKOH-SFHVURJKSA-N 0 0 410.499 4.836 50 0 HJAARN CCOc1ccccc1NC(=O)N1CCC[C@H]1c1nc(-c2cccc(OC)c2)no1 ZINC000064747475 569088836 /nfs/dbraw/zinc/08/88/36/569088836.db2.gz SUPVFUZDASBUNP-SFHVURJKSA-N 0 0 408.458 4.513 50 0 HJAARN Cc1ccccc1Oc1nccnc1N1CCC[C@@H](C(=O)NC2CCCCCC2)C1 ZINC000064747061 569089030 /nfs/dbraw/zinc/08/90/30/569089030.db2.gz MGUOHWMAFWMRQM-LJQANCHMSA-N 0 0 408.546 4.633 50 0 HJAARN COc1c2cc(Cl)ccc2sc1C(=O)N1CCN(c2cccc(C)c2)CC1 ZINC000064756614 569089919 /nfs/dbraw/zinc/08/99/19/569089919.db2.gz BBLSUQMBKNGZGH-UHFFFAOYSA-N 0 0 400.931 4.834 50 0 HJAARN COCCN(Cc1csc(COc2cccc(C)c2)n1)C(=O)c1ccccc1C ZINC000036106384 569093074 /nfs/dbraw/zinc/09/30/74/569093074.db2.gz 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Cc1ccc(-c2noc(CN(C3CCCCC3)S(=O)(=O)c3ccccc3)n2)cc1 ZINC000007759414 569307343 /nfs/dbraw/zinc/30/73/43/569307343.db2.gz LZRPLZZLBCXHKV-UHFFFAOYSA-N 0 0 411.527 4.569 50 0 HJAARN C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000007763703 569307759 /nfs/dbraw/zinc/30/77/59/569307759.db2.gz CZPUARBYHCSNNY-STQMWFEESA-N 0 0 416.547 4.839 50 0 HJAARN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccc(O)c1)N(Cc1ccco1)C3=O ZINC000002213440 569308384 /nfs/dbraw/zinc/30/83/84/569308384.db2.gz POCDPWQSUHNQJW-FQEVSTJZSA-N 0 0 421.836 4.799 50 0 HJAARN CC(C)CNC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)c2cccs2)c1 ZINC000037600827 569308980 /nfs/dbraw/zinc/30/89/80/569308980.db2.gz JIKLQWYVYDPQDH-UHFFFAOYSA-N 0 0 406.551 4.910 50 0 HJAARN COc1ccccc1-c1nnc(SCC(=O)c2cc(C)ccc2OC(F)F)o1 ZINC000007781400 569309989 /nfs/dbraw/zinc/30/99/89/569309989.db2.gz BENKIMXNWNCANR-UHFFFAOYSA-N 0 0 406.410 4.630 50 0 HJAARN COc1ccc(-c2csc3ncnc(N(C)C[C@@H]4COc5ccccc5O4)c23)cc1 ZINC000007780970 569310071 /nfs/dbraw/zinc/31/00/71/569310071.db2.gz GYBQJAXBUXMDKO-QGZVFWFLSA-N 0 0 419.506 4.643 50 0 HJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(Nc3cccc(F)c3)s2)c1C ZINC000007826300 569313255 /nfs/dbraw/zinc/31/32/55/569313255.db2.gz LAWZTAQMCVQAST-LBPRGKRZSA-N 0 0 418.519 4.932 50 0 HJAARN Cc1ccccc1-c1nnc(SCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)n1C ZINC000007834752 569313984 /nfs/dbraw/zinc/31/39/84/569313984.db2.gz IXJCWFCLLYUHKC-QGZVFWFLSA-N 0 0 420.582 4.639 50 0 HJAARN Cc1sc2nc(C)nc(SCC(=O)c3ccc4c(c3)OCCCO4)c2c1C ZINC000007832831 569314025 /nfs/dbraw/zinc/31/40/25/569314025.db2.gz XOYNZMUADLVESZ-UHFFFAOYSA-N 0 0 400.525 4.753 50 0 HJAARN Clc1ccc2c(c1)C1=Nc3ncnn3[C@@H](c3cccnc3)C1[C@H](c1cccs1)O2 ZINC000002232161 569319951 /nfs/dbraw/zinc/31/99/51/569319951.db2.gz SJVUTIAVXGJGJS-PMACEKPBSA-N 0 0 419.897 4.948 50 0 HJAARN C[C@@H](O)CNc1nc(SCc2ccccc2)nc2sc3c(c21)CC(C)(C)OC3 ZINC000002233091 569320053 /nfs/dbraw/zinc/32/00/53/569320053.db2.gz HRPMLBIJENTGDL-CYBMUJFWSA-N 0 0 415.584 4.628 50 0 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/nfs/dbraw/zinc/32/41/29/569324129.db2.gz IVYSDQKKWSLBGR-UHFFFAOYSA-N 0 0 416.477 4.550 50 0 HJAARN Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1Cc1ccc(Cl)cc1 ZINC000002246663 569324221 /nfs/dbraw/zinc/32/42/21/569324221.db2.gz BYDUFSFURSHZOJ-UHFFFAOYSA-N 0 0 419.916 4.541 50 0 HJAARN Cc1ccc2c(c1)c(=O)c(Br)c(C)n2CC(=O)Nc1ccc(C)c(C)c1 ZINC000002262808 569325475 /nfs/dbraw/zinc/32/54/75/569325475.db2.gz RXTTXFBGIPFMKC-UHFFFAOYSA-N 0 0 413.315 4.636 50 0 HJAARN Nc1c(C(=O)OCc2ccccc2)c2nc3ccccc3nc2n1CCc1ccccc1 ZINC000002264258 569325567 /nfs/dbraw/zinc/32/55/67/569325567.db2.gz YCLOJMZHEAVIBO-UHFFFAOYSA-N 0 0 422.488 4.766 50 0 HJAARN COc1ccc(CCn2c(-c3ccc(OC)cc3)nc3nc4ccccc4nc32)cc1 ZINC000002253831 569326124 /nfs/dbraw/zinc/32/61/24/569326124.db2.gz XBCDUXFFYLSZBM-UHFFFAOYSA-N 0 0 410.477 4.906 50 0 HJAARN CC[C@@H](C)[C@H](NC(=O)CC1(n2cccc2)CCSCC1)c1nc2ccccc2[nH]1 ZINC000253394308 569365087 /nfs/dbraw/zinc/36/50/87/569365087.db2.gz AMDHYBMSWXTRSE-UTKZUKDTSA-N 0 0 410.587 4.880 50 0 HJAARN O=c1c2ccccc2nc(-c2cccs2)n1NCc1cccc(Br)c1 ZINC000027530995 569366402 /nfs/dbraw/zinc/36/64/02/569366402.db2.gz SEMHLIDDDAVSJL-UHFFFAOYSA-N 0 0 412.312 4.631 50 0 HJAARN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)c2c(F)cc(C(F)(F)F)cc2F)C1 ZINC000253419557 569367803 /nfs/dbraw/zinc/36/78/03/569367803.db2.gz PLLVHUDTIZZOFO-NEPJUHHUSA-N 0 0 422.394 4.549 50 0 HJAARN Cc1ccc(NC(=O)c2c(N)n(Cc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002299964 569369934 /nfs/dbraw/zinc/36/99/34/569369934.db2.gz MOHPIIKOQKTKCY-UHFFFAOYSA-N 0 0 407.477 4.776 50 0 HJAARN CCOP(=O)(OCC)c1nc(Cc2ccccc2)oc1NCc1ccccc1 ZINC000002300330 569372071 /nfs/dbraw/zinc/37/20/71/569372071.db2.gz ZGURJGRWCOLQPF-UHFFFAOYSA-N 0 0 400.415 4.769 50 0 HJAARN CCCC[C@@H](NC(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000002315317 569373044 /nfs/dbraw/zinc/37/30/44/569373044.db2.gz AIONUDQLZAUZOY-JOCHJYFZSA-N 0 0 406.526 4.891 50 0 HJAARN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)c1ccc(Cl)cc1 ZINC000002315912 569373058 /nfs/dbraw/zinc/37/30/58/569373058.db2.gz 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CCC(CC)COC(=O)c1c(N)n(-c2cccc(OC)c2)c2nc3ccccc3nc12 ZINC000002370891 569388827 /nfs/dbraw/zinc/38/88/27/569388827.db2.gz JIMKNHXITRBLEB-UHFFFAOYSA-N 0 0 418.497 4.758 50 0 HJAARN COc1ccc2c(ccn2CCC(=O)N[C@H](c2nc3ccccc3[nH]2)c2ccccc2)c1 ZINC000253408938 569388934 /nfs/dbraw/zinc/38/89/34/569388934.db2.gz LFQJOXLDWJIOEK-VWLOTQADSA-N 0 0 424.504 4.822 50 0 HJAARN Cc1c2ccccc2sc1C(=O)CSc1nnc(NC[C@@H]2CCCO2)s1 ZINC000008356527 569389753 /nfs/dbraw/zinc/38/97/53/569389753.db2.gz RXFMNVACVQJDED-LBPRGKRZSA-N 0 0 405.570 4.627 50 0 HJAARN COc1ccc(-c2nnc3ccc4c(C(F)(F)F)cc(C(F)(F)F)nc4n32)cc1 ZINC000008857408 569390635 /nfs/dbraw/zinc/39/06/35/569390635.db2.gz PKMYKNZUTPFFKO-UHFFFAOYSA-N 0 0 412.293 4.991 50 0 HJAARN O=C(Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1ccc(F)cc1F ZINC000027739230 569392361 /nfs/dbraw/zinc/39/23/61/569392361.db2.gz UTSLDEATFDMJJZ-UHFFFAOYSA-N 0 0 422.840 4.671 50 0 HJAARN CC[C@@H](C)COC(=O)c1c(N)n(-c2ccc(C(C)=O)cc2)c2nc3ccccc3nc12 ZINC000002394167 569394128 /nfs/dbraw/zinc/39/41/28/569394128.db2.gz AYFSXOADOVKIHH-CQSZACIVSA-N 0 0 416.481 4.561 50 0 HJAARN CCCCn1nc(NC(=O)Cc2ccc(OC)cc2)c2cc3cc(C)ccc3nc21 ZINC000002394607 569394215 /nfs/dbraw/zinc/39/42/15/569394215.db2.gz RYCAZQTYBXJBKA-UHFFFAOYSA-N 0 0 402.498 4.883 50 0 HJAARN Cc1ccc(Cn2c(N)c(C(=O)OCc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002396809 569394456 /nfs/dbraw/zinc/39/44/56/569394456.db2.gz ZKMXYTMRXWYQOA-UHFFFAOYSA-N 0 0 422.488 4.880 50 0 HJAARN CCCCCOC(=O)c1c(N)n(-c2ccc(OC)cc2)c2nc3ccccc3nc21 ZINC000002398098 569394578 /nfs/dbraw/zinc/39/45/78/569394578.db2.gz NWFNTHIAQOHLHF-UHFFFAOYSA-N 0 0 404.470 4.512 50 0 HJAARN O=C(Oc1ccc2c(c1)occ(-c1ccc3c(c1)OCCO3)c2=O)C1CCCCC1 ZINC000002403990 569395850 /nfs/dbraw/zinc/39/58/50/569395850.db2.gz JRWLYLSFDBVWPS-UHFFFAOYSA-N 0 0 406.434 4.717 50 0 biogenic HJAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(F)cc1)N(Cc1ccco1)C3=O ZINC000002406973 569396214 /nfs/dbraw/zinc/39/62/14/569396214.db2.gz BJLZTHIVYIBARP-OAQYLSRUSA-N 0 0 403.409 4.887 50 0 HJAARN CSc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccco2)cc1 ZINC000002408256 569396354 /nfs/dbraw/zinc/39/63/54/569396354.db2.gz ZFXUSQPJCSLOCK-FQEVSTJZSA-N 0 0 403.459 4.853 50 0 HJAARN COc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)cc1 ZINC000002412236 569396943 /nfs/dbraw/zinc/39/69/43/569396943.db2.gz GSLSBNIBYNSAPZ-IBGZPJMESA-N 0 0 422.824 4.501 50 0 HJAARN COc1ccc(NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)cc1Cl ZINC000002419730 569397739 /nfs/dbraw/zinc/39/77/39/569397739.db2.gz OYJJQRXDJGRSKS-UHFFFAOYSA-N 0 0 422.938 4.605 50 0 HJAARN CCCCCCn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21 ZINC000002425079 569398494 /nfs/dbraw/zinc/39/84/94/569398494.db2.gz CTMJWANIINVIGK-UHFFFAOYSA-N 0 0 414.556 4.641 50 0 HJAARN CCCc1nc2sc3c(nc(SC)nc3NCCCOC)c2c2c1CCC2 ZINC000002424949 569398521 /nfs/dbraw/zinc/39/85/21/569398521.db2.gz VPZABRPWDWJPML-UHFFFAOYSA-N 0 0 402.589 4.851 50 0 HJAARN CC(C)OCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccccc1 ZINC000002428982 569398849 /nfs/dbraw/zinc/39/88/49/569398849.db2.gz NNKTVPRKBUCQAU-FQEVSTJZSA-N 0 0 411.885 4.807 50 0 HJAARN CC(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000002431762 569399144 /nfs/dbraw/zinc/39/91/44/569399144.db2.gz GZUCGLBYQLLTOL-AVRDEDQJSA-N 0 0 403.478 4.641 50 0 HJAARN Cc1ccc(S(=O)(=O)c2nc(-c3cccc(C)c3)oc2NCc2ccco2)cc1 ZINC000012419142 569401058 /nfs/dbraw/zinc/40/10/58/569401058.db2.gz HYBDGIISNGOTCA-UHFFFAOYSA-N 0 0 408.479 4.996 50 0 HJAARN CCCCc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)cc1 ZINC000002446079 569401347 /nfs/dbraw/zinc/40/13/47/569401347.db2.gz IFKIVBOJWZWZKR-UHFFFAOYSA-N 0 0 417.538 4.889 50 0 HJAARN CCN(CC)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2CC)cc1 ZINC000002446304 569401429 /nfs/dbraw/zinc/40/14/29/569401429.db2.gz XIVUNNKCIZCJLB-UHFFFAOYSA-N 0 0 409.559 4.542 50 0 HJAARN Cc1ccc(SCCC(=O)OCC(=O)N2CC[C@H](C)Sc3ccccc32)cc1 ZINC000012818980 569403866 /nfs/dbraw/zinc/40/38/66/569403866.db2.gz PZCAOAQZQGNPMQ-KRWDZBQOSA-N 0 0 415.580 4.938 50 0 HJAARN 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CCn1c2ccccc2nc1NC(=O)c1cc(-c2ccccc2F)nc2onc(C)c21 ZINC000021592786 571310156 /nfs/dbraw/zinc/31/01/56/571310156.db2.gz BPIALJUCDRDQFU-UHFFFAOYSA-N 0 0 415.428 4.959 50 0 HJAARN O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(COCc2ccc(F)cc2)CC1 ZINC000077191528 571312242 /nfs/dbraw/zinc/31/22/42/571312242.db2.gz UBLREILFIZWUKY-UHFFFAOYSA-N 0 0 411.395 4.793 50 0 HJAARN CC(=O)c1cccc(NC(=O)CN(C)c2nc3c(cccc3C(F)(F)F)s2)c1 ZINC000077196813 571312502 /nfs/dbraw/zinc/31/25/02/571312502.db2.gz OKLBUMIYQWMKLT-UHFFFAOYSA-N 0 0 407.417 4.593 50 0 HJAARN O=C(Nc1ccccc1)O[C@H]1CCC[C@@H](NC(=O)c2ccccc2Br)C1 ZINC000077200114 571312818 /nfs/dbraw/zinc/31/28/18/571312818.db2.gz ZGVVDUXXCAPFLP-CVEARBPZSA-N 0 0 417.303 4.739 50 0 HJAARN CC[C@H](C)N1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021864498 571315166 /nfs/dbraw/zinc/31/51/66/571315166.db2.gz PTMLEFXOPOGSSP-XDHUDOTRSA-N 0 0 411.546 4.600 50 0 HJAARN COc1cccc(NC(=O)c2sc3c(cc(OC)c(OC)c3OC)c2Cl)c1 ZINC000023429897 571315450 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C[C@H](Nc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000005827414 132308185 /nfs/dbraw/zinc/30/81/85/132308185.db2.gz NXCWZBFPCIGDND-IBGZPJMESA-N 0 0 401.510 4.629 50 0 HJAARN Cc1ccc(CN2C(=O)CSc3ccc(NC(=O)NCc4ccco4)cc32)cc1 ZINC000006750199 132314867 /nfs/dbraw/zinc/31/48/67/132314867.db2.gz CCCDFKCYAGUIAX-UHFFFAOYSA-N 0 0 407.495 4.549 50 0 HJAARN C[C@@H](Oc1ccc2oc3ccccc3c2c1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000006831992 132318338 /nfs/dbraw/zinc/31/83/38/132318338.db2.gz NEDFJRPMHZKSJC-QGZVFWFLSA-N 0 0 416.477 4.829 50 0 HJAARN CCc1ccccc1NC(=O)C1CCN(C(=O)N2C[C@@H](CC)Oc3ccccc32)CC1 ZINC000006846213 132319062 /nfs/dbraw/zinc/31/90/62/132319062.db2.gz GMYNGYWQTRJLAI-HXUWFJFHSA-N 0 0 421.541 4.697 50 0 HJAARN O=C1c2ccccc2/C(=C\NCCc2ccccc2)C(=O)N1c1ccccc1Cl ZINC000006864136 132319365 /nfs/dbraw/zinc/31/93/65/132319365.db2.gz LUOYRANFADERFN-CAPFRKAQSA-N 0 0 402.881 4.700 50 0 HJAARN Cc1ccc(C)c(N2C(=O)N(Cc3ccccc3F)c3ccccc3S2(=O)=O)c1 ZINC000006918425 132320807 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O=C1N(Cc2c(F)cccc2Cl)c2ccccc2S(=O)(=O)N1c1ccccc1 ZINC000009663636 132342158 /nfs/dbraw/zinc/34/21/58/132342158.db2.gz JEHBLDNYJWWYMS-UHFFFAOYSA-N 0 0 416.861 4.815 50 0 HJAARN O=C1N(Cc2cccc(Cl)c2)c2ccccc2S(=O)(=O)N1c1ccc(F)cc1 ZINC000010273491 132345701 /nfs/dbraw/zinc/34/57/01/132345701.db2.gz UYAJXVBLQXRQFQ-UHFFFAOYSA-N 0 0 416.861 4.815 50 0 HJAARN Cc1nc(Oc2ccccc2)cc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)n1 ZINC000012224259 132357102 /nfs/dbraw/zinc/35/71/02/132357102.db2.gz VXXIRBPIQCTALX-UHFFFAOYSA-N 0 0 423.904 4.585 50 0 HJAARN c1ccc2[nH]c(C3CCN(c4nncc(-c5ccc6ccccc6c5)n4)CC3)nc2c1 ZINC000012433296 132359898 /nfs/dbraw/zinc/35/98/98/132359898.db2.gz CCLZXTRJCJEGIA-UHFFFAOYSA-N 0 0 406.493 4.952 50 0 HJAARN Cc1sc2nc(-c3cccs3)nc(N3CCN(C(=O)c4ccco4)CC3)c2c1C ZINC000013117406 132454198 /nfs/dbraw/zinc/45/41/98/132454198.db2.gz CMISFBBTVJXYLW-UHFFFAOYSA-N 0 0 424.551 4.592 50 0 HJAARN Cc1ccc(S(=O)(=O)N2CCCc3cc(C(=O)Nc4ccccc4C)ccc32)cc1 ZINC000013583646 132457665 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O=C(C1CC1)N1CCN(c2nc(C3CCCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC000035849048 132803001 /nfs/dbraw/zinc/80/30/01/132803001.db2.gz COWRKLFUHWLARZ-UHFFFAOYSA-N 0 0 424.614 4.676 50 0 HJAARN CC(=O)NCCc1ccc(C(=O)[C@H](C)Sc2nc3cc(Cl)ccc3s2)cc1 ZINC000032170784 519668904 /nfs/dbraw/zinc/66/89/04/519668904.db2.gz XUGMIGCEVQCRIQ-LBPRGKRZSA-N 0 0 418.971 4.992 50 0 HJAARN CC(=O)NCCc1ccc(C(=O)[C@@H](C)Sc2nc3cc(Cl)ccc3s2)cc1 ZINC000032170781 519669120 /nfs/dbraw/zinc/66/91/20/519669120.db2.gz XUGMIGCEVQCRIQ-GFCCVEGCSA-N 0 0 418.971 4.992 50 0 HJAARN CC(=O)NCc1ccc(C(=O)CSc2nc(-c3ccco3)nc3ccccc32)s1 ZINC000032868686 519675226 /nfs/dbraw/zinc/67/52/26/519675226.db2.gz FHTPJSGSVXAULC-UHFFFAOYSA-N 0 0 423.519 4.562 50 0 HJAARN CC(C)CN1C(=O)[C@]2(CC(=O)Nc3c2cnn3C(C)(C)C)c2cccc(Cl)c21 ZINC000032074575 519719982 /nfs/dbraw/zinc/71/99/82/519719982.db2.gz FZEUGGGAGCTJHX-OAQYLSRUSA-N 0 0 400.910 4.572 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)NCCCSc2ccccc2)c(C(F)(F)F)c1 ZINC000043949680 519723763 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410.905 4.603 50 0 HJAARN CC(C)n1ncc2cc(NC(=O)c3ccccc3C(=O)c3ccc(F)cc3)cnc21 ZINC000032754581 520084478 /nfs/dbraw/zinc/08/44/78/520084478.db2.gz KAIQNGDCJCLHTI-UHFFFAOYSA-N 0 0 402.429 4.635 50 0 HJAARN CCOC(=O)C1=CN(c2ccc(C)cc2)C=C(C(=O)OCC)C1c1ccccc1F ZINC000000968770 520543157 /nfs/dbraw/zinc/54/31/57/520543157.db2.gz BWLYRKMZECJRLM-UHFFFAOYSA-N 0 0 409.457 4.632 50 0 HJAARN CCOc1cc(C)c(/C=C2\NC(=S)N(c3ccc(OC)cc3)C2=O)cc1C(C)C ZINC000020035592 520673217 /nfs/dbraw/zinc/67/32/17/520673217.db2.gz UVVIJFQGSZTXBM-MOSHPQCFSA-N 0 0 410.539 4.788 50 0 HJAARN CCN(CC)c1c2cc(OC)ccc2ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000020381539 520875792 /nfs/dbraw/zinc/87/57/92/520875792.db2.gz WUMZINWQNGDCPH-UHFFFAOYSA-N 0 0 404.919 4.576 50 0 HJAARN CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C ZINC000031903365 521114252 /nfs/dbraw/zinc/11/42/52/521114252.db2.gz AZAJMAQIPAGVMW-JOCHJYFZSA-N 0 0 418.541 4.551 50 0 HJAARN CCN(Cc1ccc(Br)s1)C(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000032721781 521295641 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COc1cc2[nH]c(=NNc3ccccc3)nc(NNc3ccccc3)c2cc1OC ZINC000000977951 523068261 /nfs/dbraw/zinc/06/82/61/523068261.db2.gz VASXDZAKINPQJX-UHFFFAOYSA-N 0 0 402.458 4.525 50 0 HJAARN CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC000032159016 523211842 /nfs/dbraw/zinc/21/18/42/523211842.db2.gz LGBLQGUWBCYVKO-UHFFFAOYSA-N 0 0 410.945 4.703 50 0 HJAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cccc(C)c4)cc3)n2)cc1 ZINC000032578637 523276404 /nfs/dbraw/zinc/27/64/04/523276404.db2.gz POMGTYCPIGTDOW-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN CCn1cc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(OC)cc2F)c(C)n1 ZINC000020601102 523375788 /nfs/dbraw/zinc/37/57/88/523375788.db2.gz NWNKGMMLRYHOJR-VWLOTQADSA-N 0 0 418.516 4.988 50 0 HJAARN CCn1cc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(OC)cc2F)c(C)n1 ZINC000020601103 523375803 /nfs/dbraw/zinc/37/58/03/523375803.db2.gz NWNKGMMLRYHOJR-RUZDIDTESA-N 0 0 418.516 4.988 50 0 HJAARN COCCN(C(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2)c1nc2ccccc2s1 ZINC000044469235 523560268 /nfs/dbraw/zinc/56/02/68/523560268.db2.gz QOOXACBTTBPILS-UHFFFAOYSA-N 0 0 412.511 4.646 50 0 HJAARN CN(c1ccccc1)[C@@H]1c2cccc3cccc(c23)[C@H]1NS(=O)(=O)c1ccccc1 ZINC000239432877 523652399 /nfs/dbraw/zinc/65/23/99/523652399.db2.gz WTDXZDCHSDVMFP-JWQCQUIFSA-N 0 0 414.530 5.051 50 0 HJAARN CC[C@H](C(=O)Nc1ccc(C)c(Cl)c1)n1cnc2c3cccnc3sc2c1=O ZINC000045895608 523799664 /nfs/dbraw/zinc/79/96/64/523799664.db2.gz DPPPCMMYHPEBSW-OAHLLOKOSA-N 0 0 412.902 4.558 50 0 HJAARN CC(=O)Nc1ccc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)cc1 ZINC000003245837 534739041 /nfs/dbraw/zinc/73/90/41/534739041.db2.gz WWYKMKDUYSOLKO-UHFFFAOYSA-N 0 0 418.474 4.631 50 0 HJAARN COc1ccc(CNC(=O)c2sc(=S)n(-c3ccc(F)c(Cl)c3)c2N)cc1 ZINC000032952421 524068329 /nfs/dbraw/zinc/06/83/29/524068329.db2.gz ILJDKOBRUVRMHA-UHFFFAOYSA-N 0 0 423.922 4.582 50 0 HJAARN Cc1ccc(C)c(C(=O)c2cn(Cc3cc(F)cc(F)c3)c3nc(C)ccc3c2=O)c1 ZINC000045922737 524089869 /nfs/dbraw/zinc/08/98/69/524089869.db2.gz IEXAWMSBXJNZAU-UHFFFAOYSA-N 0 0 418.443 4.879 50 0 HJAARN Cc1ccc(CCNC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc32)cc1 ZINC000023452396 524333577 /nfs/dbraw/zinc/33/35/77/524333577.db2.gz LQRRXFKUYDNHNX-UHFFFAOYSA-N 0 0 410.473 4.911 50 0 HJAARN Cc1cc(C)c2c(n1)SCC(=O)N2Cc1ccc(C(=O)NC2CCCCCC2)cc1 ZINC000020560099 524348925 /nfs/dbraw/zinc/34/89/25/524348925.db2.gz SUIBBHKCOSQJQW-UHFFFAOYSA-N 0 0 423.582 4.790 50 0 HJAARN Cc1cc(C)c2nc(C(F)(F)F)nc(N3CCN(c4ccccc4F)CC3)c2c1 ZINC000001112890 524351803 /nfs/dbraw/zinc/35/18/03/524351803.db2.gz IZNKMWSFEOADIE-UHFFFAOYSA-N 0 0 404.411 4.731 50 0 HJAARN COc1ccc(N(Cc2cccs2)C(=O)CCNC(=O)Nc2ccccc2)cc1 ZINC000032678572 524368902 /nfs/dbraw/zinc/36/89/02/524368902.db2.gz LHMWISCYJJYTMH-UHFFFAOYSA-N 0 0 409.511 4.502 50 0 HJAARN COc1ccccc1C1(CNC(=O)Nc2cccc(C(F)(F)F)c2)CCOCC1 ZINC000044226408 524371545 /nfs/dbraw/zinc/37/15/45/524371545.db2.gz WWMUCZMNHZIEAM-UHFFFAOYSA-N 0 0 408.420 4.584 50 0 HJAARN Cc1cc(C)cc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000031903678 524449983 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COc1ccccc1[C@H](NC(=O)N[C@@H](C)c1ccc(C(C)C)cc1)c1nccn1C ZINC000032802520 524795106 /nfs/dbraw/zinc/79/51/06/524795106.db2.gz CTZCARFWINPMPN-JTSKRJEESA-N 0 0 406.530 4.702 50 0 HJAARN COc1ccc(OC)c(-n2cnc3c2NC(=O)C[C@@H]3c2ccc(OC(C)C)cc2)c1 ZINC000040283618 524798747 /nfs/dbraw/zinc/79/87/47/524798747.db2.gz TXRNDGKREHSMBO-GOSISDBHSA-N 0 0 407.470 4.800 50 0 HJAARN COc1ccc(OC)c(C(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc2C)c1 ZINC000032925819 524809160 /nfs/dbraw/zinc/80/91/60/524809160.db2.gz KOIUBACTENJIGD-UHFFFAOYSA-N 0 0 405.454 4.909 50 0 HJAARN COc1ccc(OC)c(NC(=O)c2cnc3c(c2)c(C2CC2)nn3-c2ccccc2)c1 ZINC000033147937 524867599 /nfs/dbraw/zinc/86/75/99/524867599.db2.gz ODRMHNKJBGDLEF-UHFFFAOYSA-N 0 0 414.465 4.567 50 0 HJAARN Cc1cc(Cl)ccc1Nc1ccc2cc(S(=O)(=O)N3CCCC3)ccc2n1 ZINC000032943566 524902848 /nfs/dbraw/zinc/90/28/48/524902848.db2.gz ULZDHEROBFDKHB-UHFFFAOYSA-N 0 0 401.919 4.725 50 0 HJAARN C[C@@H]1CN(CCOc2ccc3c(c2)occ(-c2ccc(Cl)cc2)c3=O)C[C@@H](C)O1 ZINC000020591290 524957781 /nfs/dbraw/zinc/95/77/81/524957781.db2.gz MOMCYAXYJWYDSO-HZPDHXFCSA-N 0 0 413.901 4.601 50 0 HJAARN Cc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)OCCCO3)cc1C(F)(F)F ZINC000032865847 525033310 /nfs/dbraw/zinc/03/33/10/525033310.db2.gz BQZNYWBKBYGMGU-UHFFFAOYSA-N 0 0 407.388 4.777 50 0 HJAARN C[C@@H](NC(=O)COc1cccc(NC(=O)c2ccco2)c1)c1cc2ccccc2o1 ZINC000032817879 525118386 /nfs/dbraw/zinc/11/83/86/525118386.db2.gz KOHJMJPTGBRMQR-OAHLLOKOSA-N 0 0 404.422 4.534 50 0 HJAARN COc1ccc([C@@H]2CCCN2C(=O)c2cc(Cl)c(OC)c(Cl)c2)c(OC)c1 ZINC000032747576 525247193 /nfs/dbraw/zinc/24/71/93/525247193.db2.gz SJRYRYYUEHWHLW-KRWDZBQOSA-N 0 0 410.297 4.997 50 0 HJAARN Cc1ccc(NC(=O)c2cnc3c(cnn3C3CCCC3)c2)c(OC[C@H]2CCCO2)c1 ZINC000069949173 525253800 /nfs/dbraw/zinc/25/38/00/525253800.db2.gz JGMFKRQZQKEUIB-HXUWFJFHSA-N 0 0 420.513 4.665 50 0 HJAARN COc1ccc([C@H](C)NC(=O)c2ccccc2SCc2cc(C)no2)cc1F ZINC000032810631 525314788 /nfs/dbraw/zinc/31/47/88/525314788.db2.gz LIGAQOOQVQBHPE-AWEZNQCLSA-N 0 0 400.475 4.914 50 0 HJAARN C[C@@H](NC(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1NS(C)(=O)=O ZINC000043284432 525324018 /nfs/dbraw/zinc/32/40/18/525324018.db2.gz GGCVAZJWCBADQV-MRXNPFEDSA-N 0 0 400.544 4.597 50 0 HJAARN COc1ccc([C@H]2CCCN2C(=O)CCC(=O)c2ccc(Cl)s2)c(OC)c1 ZINC000040009667 525409111 /nfs/dbraw/zinc/40/91/11/525409111.db2.gz RBXGRSWRBIZEIQ-OAHLLOKOSA-N 0 0 407.919 4.745 50 0 HJAARN Cc1[nH]c2ccccc2c1[C@H](C(=O)[O-])[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000032074054 525447010 /nfs/dbraw/zinc/44/70/10/525447010.db2.gz JIURMMCDPWNXCU-JOCHJYFZSA-N 0 0 407.445 4.762 50 0 HJAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1 ZINC000032930137 525467786 /nfs/dbraw/zinc/46/77/86/525467786.db2.gz WILGEVSRENUDRG-GOSISDBHSA-N 0 0 424.522 4.510 50 0 HJAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C3CCC(C)CC3)c2)cc1F ZINC000032845417 525612055 /nfs/dbraw/zinc/61/20/55/525612055.db2.gz SSLAJUZRDIZVAF-UHFFFAOYSA-N 0 0 418.534 4.586 50 0 HJAARN C[C@@H]1Oc2ccc(NC(=O)c3ccc(OCc4ccccc4Cl)cc3)cc2NC1=O ZINC000032624496 525612842 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COC(=O)c1c(C)c(C(C)=O)sc1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000001134205 557200314 /nfs/dbraw/zinc/20/03/14/557200314.db2.gz MMDNVZLWXLVBCF-CYBMUJFWSA-N 0 0 423.918 4.722 50 0 HJAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2)c(Cl)c1 ZINC000001136838 557201482 /nfs/dbraw/zinc/20/14/82/557201482.db2.gz PNAYCRNQYJXRMK-UHFFFAOYSA-N 0 0 422.897 4.978 50 0 HJAARN CC(C)c1ccc(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000001138112 557202359 /nfs/dbraw/zinc/20/23/59/557202359.db2.gz NGAYLLCNJPDCJF-UHFFFAOYSA-N 0 0 415.342 4.522 50 0 HJAARN CC1(C)CC(=O)c2cc(C(=O)NCCC3=CCCCC3)c(=O)n(-c3ccccc3)c2C1 ZINC000001140494 557203513 /nfs/dbraw/zinc/20/35/13/557203513.db2.gz GBWPIHFLJSMWJN-UHFFFAOYSA-N 0 0 418.537 4.613 50 0 HJAARN COC(=O)c1ccccc1NC(=O)COc1c(Cl)cc(Cl)c2ccccc21 ZINC000001141209 557204114 /nfs/dbraw/zinc/20/41/14/557204114.db2.gz DQLOBSVARIIOCJ-UHFFFAOYSA-N 0 0 404.249 4.951 50 0 HJAARN CSc1ccc(O[C@H]2CCCC[C@H]2NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001167806 557222191 /nfs/dbraw/zinc/22/21/91/557222191.db2.gz CHVFSJQPSUUYIY-MOPGFXCFSA-N 0 0 411.976 4.730 50 0 HJAARN Cc1cccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)c1 ZINC000001171092 557224031 /nfs/dbraw/zinc/22/40/31/557224031.db2.gz APKMRUUCUQRHMN-UHFFFAOYSA-N 0 0 422.897 4.978 50 0 HJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)C2CCCCC2)cc1 ZINC000001171973 557224626 /nfs/dbraw/zinc/22/46/26/557224626.db2.gz BTCROSMMMSQDDL-UHFFFAOYSA-N 0 0 414.571 4.574 50 0 HJAARN COc1ccc(Br)cc1C(=O)NC(=S)Nc1cccc(Cl)c1C ZINC000001172424 557224915 /nfs/dbraw/zinc/22/49/15/557224915.db2.gz DFASZAPAGURWNN-UHFFFAOYSA-N 0 0 413.724 4.546 50 0 HJAARN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc(Cl)c1O ZINC000001175629 557227484 /nfs/dbraw/zinc/22/74/84/557227484.db2.gz XMSQCXGAZTXCEB-SXGWCWSVSA-N 0 0 407.850 4.820 50 0 HJAARN O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(Br)cc1 ZINC000001176702 557228208 /nfs/dbraw/zinc/22/82/08/557228208.db2.gz QDBBAUPTVXOBEG-UHFFFAOYSA-N 0 0 403.223 4.595 50 0 HJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)C2CCCCC2)cc1 ZINC000001177389 557228445 /nfs/dbraw/zinc/22/84/45/557228445.db2.gz VQTGVXXGQLVFKF-UHFFFAOYSA-N 0 0 414.571 4.574 50 0 HJAARN O=C(Nc1cccc2ccccc21)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000001178591 557229000 /nfs/dbraw/zinc/22/90/00/557229000.db2.gz LAWVHEOJQCCJER-XMMPIXPASA-N 0 0 420.468 4.686 50 0 HJAARN O=C1c2ccc(N3Cc4ccccc4C3)cc2C(=O)N1c1ccc(Br)cc1 ZINC000001178436 557229109 /nfs/dbraw/zinc/22/91/09/557229109.db2.gz PTHMWZKSZOHOAV-UHFFFAOYSA-N 0 0 419.278 4.770 50 0 HJAARN O=C(C[C@@]1(O)c2ccccc2N(Cc2ccccc2)C1=O)c1ccc2c(c1)CCCC2 ZINC000001181046 557230850 /nfs/dbraw/zinc/23/08/50/557230850.db2.gz NJQXRPMOVBOQAD-HHHXNRCGSA-N 0 0 411.501 4.573 50 0 HJAARN COc1ccc(-c2nc3cc(NC(=S)NC(=O)C=Cc4ccco4)ccc3o2)cc1 ZINC000001181095 557230891 /nfs/dbraw/zinc/23/08/91/557230891.db2.gz JRQPVSQLESNJKH-PKNBQFBNSA-N 0 0 419.462 4.623 50 0 HJAARN COc1cccc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)c1 ZINC000001183237 557232085 /nfs/dbraw/zinc/23/20/85/557232085.db2.gz KYNHKLFYOCTQQL-UHFFFAOYSA-N 0 0 415.312 4.738 50 0 HJAARN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)COc4ccccc4)cc3)oc2c1 ZINC000001183501 557232378 /nfs/dbraw/zinc/23/23/78/557232378.db2.gz RKAJHMXYQBJSQN-UHFFFAOYSA-N 0 0 417.490 4.695 50 0 HJAARN COc1ccc(-c2cc(=O)oc3cc(OCC(=O)c4ccc(F)cc4)ccc32)cc1 ZINC000001184579 557233013 /nfs/dbraw/zinc/23/30/13/557233013.db2.gz AKFAVVKWMGNQJZ-UHFFFAOYSA-N 0 0 404.393 4.869 50 0 biogenic HJAARN Cc1cc(NC(=S)NC(=O)c2ccccc2)ccc1-c1cc2ccccc2oc1=O ZINC000001186144 557234129 /nfs/dbraw/zinc/23/41/29/557234129.db2.gz PMJXPTYRLHQZGF-UHFFFAOYSA-N 0 0 414.486 4.895 50 0 HJAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cccc(O)c4)cc3n2)cc1 ZINC000001187507 557234708 /nfs/dbraw/zinc/23/47/08/557234708.db2.gz VVTFQKQYIOEZNO-UHFFFAOYSA-N 0 0 412.371 4.681 50 0 HJAARN COc1ccc(NC(=O)c2c3c(sc2NC(=O)c2ccncc2)CCCCC3)cc1 ZINC000001188703 557235287 /nfs/dbraw/zinc/23/52/87/557235287.db2.gz MRTRURUASKWDMD-UHFFFAOYSA-N 0 0 421.522 4.925 50 0 HJAARN Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2F)cc1 ZINC000001188685 557235334 /nfs/dbraw/zinc/23/53/34/557235334.db2.gz CMBRYWPTHKIZMT-UHFFFAOYSA-N 0 0 414.440 4.824 50 0 HJAARN CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=S)N1 ZINC000001188945 557235574 /nfs/dbraw/zinc/23/55/74/557235574.db2.gz FNQOEXBAMFNSSG-MRXNPFEDSA-N 0 0 410.301 4.564 50 0 HJAARN CCOc1ccc(/C=C2\N=C(c3ccccc3Br)OC2=O)c(OCC)c1 ZINC000001193303 557236981 /nfs/dbraw/zinc/23/69/81/557236981.db2.gz HINRQEYUQRRQPT-BOPFTXTBSA-N 0 0 416.271 4.591 50 0 HJAARN CCOC(=O)c1c(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)sc2c1CCC2 ZINC000001194615 557237322 /nfs/dbraw/zinc/23/73/22/557237322.db2.gz HOHGYZDPHFKKSI-UHFFFAOYSA-N 0 0 419.502 4.897 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000001201494 557239487 /nfs/dbraw/zinc/23/94/87/557239487.db2.gz VYWXQCMWUIJSKY-UHFFFAOYSA-N 0 0 410.351 4.758 50 0 HJAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)c1ccc(Cl)cc1 ZINC000001206293 557240946 /nfs/dbraw/zinc/24/09/46/557240946.db2.gz UCXZGWVDUKHUGM-UHFFFAOYSA-N 0 0 406.898 4.958 50 0 HJAARN CCOc1cc(OCC)cc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c1 ZINC000001208257 557242195 /nfs/dbraw/zinc/24/21/95/557242195.db2.gz RROVLKZUTWTCMT-UHFFFAOYSA-N 0 0 403.438 4.940 50 0 HJAARN O=C(NCc1ccco1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000001214211 557244923 /nfs/dbraw/zinc/24/49/23/557244923.db2.gz WOKCNPRIFLWRNQ-HOCLYGCPSA-N 0 0 424.810 4.720 50 0 HJAARN O=C(COc1ccccc1Cl)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1 ZINC000001216112 557245785 /nfs/dbraw/zinc/24/57/85/557245785.db2.gz BJUOKYNQCFFUTE-UHFFFAOYSA-N 0 0 406.825 4.526 50 0 HJAARN Cc1ccc(OCC(=O)Nc2ccc(I)cc2Cl)cc1C ZINC000001218583 557247424 /nfs/dbraw/zinc/24/74/24/557247424.db2.gz BQMRACXTJFJARI-UHFFFAOYSA-N 0 0 415.658 4.579 50 0 HJAARN O=C(Nc1cccc2nsnc21)c1ccc(-c2ccc(Br)cc2)o1 ZINC000001219201 557247851 /nfs/dbraw/zinc/24/78/51/557247851.db2.gz JDLVXRIHBQJQAX-UHFFFAOYSA-N 0 0 400.257 4.966 50 0 HJAARN CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C)c3ccccc32)cc1 ZINC000001225934 557248891 /nfs/dbraw/zinc/24/88/91/557248891.db2.gz VMTHSBSXUYEGFL-ZCOIRKDISA-N 0 0 409.485 4.656 50 0 HJAARN COc1ccc(CSc2nnc(SCC(=O)c3ccc(OC)cc3)s2)cc1 ZINC000001260280 557252208 /nfs/dbraw/zinc/25/22/08/557252208.db2.gz UKFPQYISNQACME-UHFFFAOYSA-N 0 0 418.565 4.823 50 0 HJAARN Cc1ccc(SCc2cc(=O)[nH]c(Nc3nc(C)c4cccc(C)c4n3)n2)cc1 ZINC000001283369 557253586 /nfs/dbraw/zinc/25/35/86/557253586.db2.gz UQPCRSYSSHTFIA-UHFFFAOYSA-N 0 0 403.511 4.674 50 0 HJAARN COc1cccc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)c1 ZINC000001288049 557253656 /nfs/dbraw/zinc/25/36/56/557253656.db2.gz BVKGSVWFWPZTHS-UHFFFAOYSA-N 0 0 416.506 4.621 50 0 HJAARN COc1ccccc1NC(=O)Nc1nnc(-c2ccc(Br)cc2)s1 ZINC000001300279 557254229 /nfs/dbraw/zinc/25/42/29/557254229.db2.gz VSDVDWSNHBELQQ-UHFFFAOYSA-N 0 0 405.277 4.620 50 0 HJAARN CC1(C)Cc2c(sc3nc(SCC(=O)c4ccccc4)nc(N)c32)CS1 ZINC000001306813 557254513 /nfs/dbraw/zinc/25/45/13/557254513.db2.gz HYQHQLZMRNLSOY-UHFFFAOYSA-N 0 0 401.582 4.816 50 0 HJAARN COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(N3CCCCCC3)n2)cc1 ZINC000001409661 557259365 /nfs/dbraw/zinc/25/93/65/557259365.db2.gz PGDTUADEYCAOGV-UHFFFAOYSA-N 0 0 420.517 4.756 50 0 HJAARN Cc1ccc(OCCCC(=O)Nc2ccc(I)cc2C)cc1 ZINC000001773401 557286131 /nfs/dbraw/zinc/28/61/31/557286131.db2.gz AQWCANCYYNCVAR-UHFFFAOYSA-N 0 0 409.267 4.706 50 0 HJAARN CCOC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc2c1CCCCC2 ZINC000002083987 557310633 /nfs/dbraw/zinc/31/06/33/557310633.db2.gz MSJRWTYCBCGBBC-PKNBQFBNSA-N 0 0 413.495 4.574 50 0 HJAARN CCOc1ccc(C(NC(=O)c2ccccc2C)NC(=O)c2ccccc2C)cc1 ZINC000002172458 557321869 /nfs/dbraw/zinc/32/18/69/557321869.db2.gz DVNVINQTJVEMHZ-UHFFFAOYSA-N 0 0 402.494 4.561 50 0 HJAARN CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1c(C)cc(C)cc1C ZINC000002219003 557327872 /nfs/dbraw/zinc/32/78/72/557327872.db2.gz WBRILNUBTRVDCT-UHFFFAOYSA-N 0 0 400.573 4.606 50 0 HJAARN CCOC(=O)C1=C(Nc2ccccc2)C=C(C)[C@H](C(=O)OCC)[C@H]1c1ccccc1 ZINC000002250651 557331303 /nfs/dbraw/zinc/33/13/03/557331303.db2.gz OXNMVQWARCQQAH-FCHUYYIVSA-N 0 0 405.494 4.839 50 0 HJAARN CCOC(=O)C1=C(Nc2ccccc2)C=C(C)[C@H](C(=O)OCC)[C@@H]1c1ccccc1 ZINC000002250653 557331358 /nfs/dbraw/zinc/33/13/58/557331358.db2.gz OXNMVQWARCQQAH-VXKWHMMOSA-N 0 0 405.494 4.839 50 0 HJAARN CC(=O)c1c(C)n(CCCCn2c(C)c(C(C)=O)c(C(C)=O)c2C)c(C)c1C(C)=O ZINC000002423003 557346438 /nfs/dbraw/zinc/34/64/38/557346438.db2.gz QJTMEQQSBLMAHQ-UHFFFAOYSA-N 0 0 412.530 4.814 50 0 HJAARN COc1ccc(S(=O)(=O)Nc2cc3c(oc4c3C(=O)CCC4)c3ccccc23)cc1 ZINC000002497229 557352560 /nfs/dbraw/zinc/35/25/60/557352560.db2.gz JWTUGKPRERNBNS-UHFFFAOYSA-N 0 0 421.474 4.914 50 0 HJAARN CCC(=O)N(Cc1ccccc1)c1ccc(CC(=O)N(C)Cc2ccccc2)cc1 ZINC000034679819 557360049 /nfs/dbraw/zinc/36/00/49/557360049.db2.gz VVUQQSUKHFOMSS-UHFFFAOYSA-N 0 0 400.522 4.831 50 0 HJAARN COc1ccc(CCNC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1OC ZINC000002739191 557375537 /nfs/dbraw/zinc/37/55/37/557375537.db2.gz RYFRNFYHRZYOKK-HSZRJFAPSA-N 0 0 407.535 4.896 50 0 biogenic HJAARN Cc1cccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)NCC(C)C)cc2)c1 ZINC000034680060 557381269 /nfs/dbraw/zinc/38/12/69/557381269.db2.gz IPBDRMFMKGNTCJ-UHFFFAOYSA-N 0 0 404.510 4.750 50 0 HJAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1cc2ccccc2oc1=O ZINC000002761268 557381278 /nfs/dbraw/zinc/38/12/78/557381278.db2.gz LBKFCRJOYRACCO-UHFFFAOYSA-N 0 0 421.456 4.576 50 0 HJAARN O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)C2CCCC2)cc1)NCC1CC1 ZINC000034679997 557381346 /nfs/dbraw/zinc/38/13/46/557381346.db2.gz DXVQBCIDRPSRBZ-UHFFFAOYSA-N 0 0 408.517 4.618 50 0 HJAARN O=C(NCc1ccncc1)c1csc(-c2ccccc2OCc2ccc(F)cc2)n1 ZINC000034713974 557395765 /nfs/dbraw/zinc/39/57/65/557395765.db2.gz MCALKMZISZQNST-UHFFFAOYSA-N 0 0 419.481 4.853 50 0 HJAARN Cc1ccccc1C(=O)Oc1ccc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1 ZINC000002819162 557395796 /nfs/dbraw/zinc/39/57/96/557395796.db2.gz IFTISZWGFWCVER-KGENOOAVSA-N 0 0 401.393 4.698 50 0 HJAARN Cc1ccccc1C(=O)Oc1ccc(/C=C2/N=C(c3ccccc3F)OC2=O)cc1 ZINC000002821281 557396069 /nfs/dbraw/zinc/39/60/69/557396069.db2.gz AGQHRMZEWMXELP-KGENOOAVSA-N 0 0 401.393 4.698 50 0 HJAARN Cc1sc(NC(=O)CSc2nnc(Cc3ccccc3)o2)nc1-c1ccccc1 ZINC000002836713 557399232 /nfs/dbraw/zinc/39/92/32/557399232.db2.gz SKMMOWQZAWPMOQ-UHFFFAOYSA-N 0 0 422.535 4.823 50 0 HJAARN CCCCNC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000002837793 557399781 /nfs/dbraw/zinc/39/97/81/557399781.db2.gz NPOPIJOKQZELHK-UHFFFAOYSA-N 0 0 422.550 4.612 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)/C(=C/c1ccccc1)NC(=O)c1ccco1 ZINC000002840643 557400534 /nfs/dbraw/zinc/40/05/34/557400534.db2.gz GWHFAAOQJFBSJS-ATVHPVEESA-N 0 0 400.356 4.708 50 0 HJAARN CCOc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3Cl)Nc3nc(N)nn32)cc1 ZINC000002843788 557402080 /nfs/dbraw/zinc/40/20/80/557402080.db2.gz MJKAMCCBKOBPTG-DLBZAZTESA-N 0 0 404.301 4.712 50 0 HJAARN COC(=O)C(C(=O)OC)[C@H](c1ccc(Cl)cc1)[C@@H](C(=O)c1ccccc1)C(C)C ZINC000002844183 557402094 /nfs/dbraw/zinc/40/20/94/557402094.db2.gz IIQJROQGEGCPCM-RBUKOAKNSA-N 0 0 416.901 4.541 50 0 HJAARN C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000002846651 557403042 /nfs/dbraw/zinc/40/30/42/557403042.db2.gz RAFJUWKEEDBKNO-HZPDHXFCSA-N 0 0 412.584 4.877 50 0 HJAARN COc1ccc(NC(=S)Nc2cc(C)n(Cc3ccc(Cl)cc3)n2)cc1OC ZINC000002853231 557405656 /nfs/dbraw/zinc/40/56/56/557405656.db2.gz MYZMGGZOSQOOPI-UHFFFAOYSA-N 0 0 416.934 4.719 50 0 HJAARN COc1ccc(OC)c(NC(=S)Nc2ccn(Cc3cccc4ccccc43)n2)c1 ZINC000002855086 557406915 /nfs/dbraw/zinc/40/69/15/557406915.db2.gz BQRILVAQSJHUQY-UHFFFAOYSA-N 0 0 418.522 4.911 50 0 HJAARN CCOC(=O)c1c2c(sc1NC(=S)Nc1nc(C)cc(C)n1)CCCCCC2 ZINC000002857357 557407869 /nfs/dbraw/zinc/40/78/69/557407869.db2.gz OWYNQEMDTYKADH-UHFFFAOYSA-N 0 0 418.588 4.800 50 0 HJAARN CCc1cc(C(=O)OC)c(NC(=S)N2CCC(Cc3ccccc3)CC2)s1 ZINC000002857698 557408202 /nfs/dbraw/zinc/40/82/02/557408202.db2.gz TXXUGXSZGJHXQT-UHFFFAOYSA-N 0 0 402.585 4.749 50 0 HJAARN O=C(CSc1nnc(-c2ccccn2)n1-c1ccccc1)c1ccc(Cl)cc1 ZINC000002865783 557411919 /nfs/dbraw/zinc/41/19/19/557411919.db2.gz 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417.578 4.691 50 0 HJAARN C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000012810512 558474755 /nfs/dbraw/zinc/47/47/55/558474755.db2.gz AQPOMAWXTGIXPX-AWEZNQCLSA-N 0 0 404.482 4.823 50 0 HJAARN O=C(CCCc1nc2ccccc2s1)Nc1nc(CN2CCCCC2)cs1 ZINC000022289560 558476472 /nfs/dbraw/zinc/47/64/72/558476472.db2.gz YATTZZQABKUAOG-UHFFFAOYSA-N 0 0 400.573 4.700 50 0 HJAARN Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(C(C)(C)C)cc3)co2)n1 ZINC000004377182 558477191 /nfs/dbraw/zinc/47/71/91/558477191.db2.gz ZLLDSXYXJVWELX-UHFFFAOYSA-N 0 0 410.495 4.547 50 0 HJAARN O=C(NCCCc1nc2ccccc2n1CCOc1ccccc1)C1CCCCC1 ZINC000004384997 558482448 /nfs/dbraw/zinc/48/24/48/558482448.db2.gz RMRJEPVMLHJTGQ-UHFFFAOYSA-N 0 0 405.542 4.744 50 0 HJAARN Cc1noc(C)c1CN(Cc1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000022350898 558482827 /nfs/dbraw/zinc/48/28/27/558482827.db2.gz KCMXLLQUIVONAB-UHFFFAOYSA-N 0 0 424.444 4.701 50 0 HJAARN COc1ccc([C@@H]2CCCN2C(=O)COc2ccc(Br)cc2Cl)cc1 ZINC000012887490 558483324 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Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)c1 ZINC000013004503 558501558 /nfs/dbraw/zinc/50/15/58/558501558.db2.gz PWOKMRBNKFFFQP-OAHLLOKOSA-N 0 0 403.526 4.620 50 0 HJAARN Clc1ccccc1OCc1nnc(SCc2cn3ccccc3n2)n1C1CC1 ZINC000004408182 558501982 /nfs/dbraw/zinc/50/19/82/558501982.db2.gz ASMKBELRGVSJMR-UHFFFAOYSA-N 0 0 411.918 4.785 50 0 HJAARN O=C(Nc1nc2ccccc2nc1N1CCCC1)c1cc(F)c(Cl)cc1Cl ZINC000013015215 558503906 /nfs/dbraw/zinc/50/39/06/558503906.db2.gz LQBQGHLRMQSCBF-UHFFFAOYSA-N 0 0 405.260 4.928 50 0 HJAARN CC1(C)C(=O)Nc2ccccc2N1C(=O)CSCc1csc(-c2ccccc2)n1 ZINC000013014873 558503920 /nfs/dbraw/zinc/50/39/20/558503920.db2.gz BJDBFKYKHRJILW-UHFFFAOYSA-N 0 0 423.563 4.807 50 0 HJAARN CS(=O)(=O)Cc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 ZINC000013017138 558504171 /nfs/dbraw/zinc/50/41/71/558504171.db2.gz LVMKLEILARFOAO-UHFFFAOYSA-N 0 0 422.531 4.760 50 0 HJAARN CCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1c(Cl)cccc1Cl ZINC000013039279 558505977 /nfs/dbraw/zinc/50/59/77/558505977.db2.gz SRYHKJJZEJDPQG-UHFFFAOYSA-N 0 0 418.324 4.601 50 0 HJAARN CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(Cc3coc(-c4cccs4)n3)C2=O)cc1 ZINC000013039424 558506113 /nfs/dbraw/zinc/50/61/13/558506113.db2.gz LRRDSVOMEGMISU-JOCHJYFZSA-N 0 0 409.511 4.668 50 0 HJAARN Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N(C)CC(=O)Nc2ccc(F)cc2)c1 ZINC000013056695 558508593 /nfs/dbraw/zinc/50/85/93/558508593.db2.gz NFQLZNPPKRVKFL-DEOSSOPVSA-N 0 0 419.500 4.693 50 0 HJAARN Cc1cc(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2N)c(C)n1Cc1ccco1 ZINC000013057731 558509135 /nfs/dbraw/zinc/50/91/35/558509135.db2.gz USNGRUNKSWJOAW-UHFFFAOYSA-N 0 0 421.280 4.675 50 0 HJAARN COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2S[C@H](C)C(C)=O)cc1Cl ZINC000013101651 558514460 /nfs/dbraw/zinc/51/44/60/558514460.db2.gz FOQMOQOFJUGZKE-HMHNVIDESA-N 0 0 420.943 4.865 50 0 HJAARN Cc1ccc(O)c(C(=O)c2c[nH]c(-c3nnc4c(Cl)cc(C(F)(F)F)cn34)c2)c1 ZINC000013109385 558514917 /nfs/dbraw/zinc/51/49/17/558514917.db2.gz HOPMSSVDNJVSKT-UHFFFAOYSA-N 0 0 420.778 4.642 50 0 HJAARN O=C(CSc1ccc(F)cc1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000010867647 558515456 /nfs/dbraw/zinc/51/54/56/558515456.db2.gz TWZJRKGDWBZONX-OAHLLOKOSA-N 0 0 402.516 4.740 50 0 HJAARN Cc1ccc(-c2nc(CSc3cc(C(=O)NC4CC4)c4ccccc4n3)no2)cc1 ZINC000022831544 558515534 /nfs/dbraw/zinc/51/55/34/558515534.db2.gz ITOXDNWLLDXXKS-UHFFFAOYSA-N 0 0 416.506 4.778 50 0 HJAARN C[C@@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000013113505 558515769 /nfs/dbraw/zinc/51/57/69/558515769.db2.gz LSECTTZCWRMBDU-OUAUKWLOSA-N 0 0 420.888 4.672 50 0 HJAARN COC(=O)c1cc(CSc2nc(=O)c3c(-c4cccs4)csc3[nH]2)oc1C ZINC000013115677 558515994 /nfs/dbraw/zinc/51/59/94/558515994.db2.gz NPCKBBVKTNRIGR-UHFFFAOYSA-N 0 0 418.521 4.693 50 0 HJAARN Cc1cccc(OCc2nnc(SCC(=O)N[C@@H](C)c3cc4ccccc4o3)o2)c1 ZINC000013117928 558516815 /nfs/dbraw/zinc/51/68/15/558516815.db2.gz QTCZZRKTCPUDMV-HNNXBMFYSA-N 0 0 423.494 4.673 50 0 HJAARN O=C(NCc1cccc(Cl)c1)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000013124498 558518265 /nfs/dbraw/zinc/51/82/65/558518265.db2.gz GWGQYIUQJQAYJJ-GDBMZVCRSA-N 0 0 424.810 4.720 50 0 HJAARN CCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1c[nH]c2ccccc21 ZINC000013125727 558518649 /nfs/dbraw/zinc/51/86/49/558518649.db2.gz XIKAAKSNEMQNJO-UHFFFAOYSA-N 0 0 417.538 4.518 50 0 HJAARN O=C(Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@@H](c1ccc(Cl)cc1)N2)c1ccco1 ZINC000013127134 558518828 /nfs/dbraw/zinc/51/88/28/558518828.db2.gz NEVMOMRLRQYLOS-ZWKOTPCHSA-N 0 0 419.872 4.923 50 0 HJAARN Cc1nc(NC(=O)c2nc(Cl)ccc2Cl)sc1Cc1ccc2c(c1)OCO2 ZINC000022915461 558521464 /nfs/dbraw/zinc/52/14/64/558521464.db2.gz PNDWASDUCLPQHH-UHFFFAOYSA-N 0 0 422.293 4.725 50 0 HJAARN CCS(=O)(=O)N1N=C(c2cccs2)C[C@@H]1c1cc2cc(C)ccc2nc1Cl ZINC000013138857 558521706 /nfs/dbraw/zinc/52/17/06/558521706.db2.gz NKIFKOWGUMLJRW-QGZVFWFLSA-N 0 0 419.959 4.759 50 0 HJAARN CCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)c1ccc(Cl)cc1)S2 ZINC000013137853 558521739 /nfs/dbraw/zinc/52/17/39/558521739.db2.gz MROHHNQPQZDDKZ-WMZOPIPTSA-N 0 0 419.337 4.789 50 0 HJAARN C[C@@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)N(C)c1ccccc1 ZINC000013164443 558524906 /nfs/dbraw/zinc/52/49/06/558524906.db2.gz ABNQJCMTAHXRKF-GFCCVEGCSA-N 0 0 418.316 4.643 50 0 HJAARN CCCc1nc2oc3c(ncnc3NCc3ccncc3)c2c2c1COC(C)(C)C2 ZINC000013207106 558525435 /nfs/dbraw/zinc/52/54/35/558525435.db2.gz GZUKJXFLDZBREP-UHFFFAOYSA-N 0 0 403.486 4.582 50 0 HJAARN Cc1ccc([C@@H]2Oc3ccc(C)cc3C3=Nc4ncnn4[C@@H](c4cccnc4)C32)cc1 ZINC000013213787 558525973 /nfs/dbraw/zinc/52/59/73/558525973.db2.gz GXQGUAHMKPPOKP-ZEQRLZLVSA-N 0 0 407.477 4.503 50 0 HJAARN CC[C@H](CO)Nc1nc(SC)nc2c3c4c(c(C(C)C)nc3sc21)CCC4 ZINC000013228282 558527385 /nfs/dbraw/zinc/52/73/85/558527385.db2.gz SQXLCCMAPPTYKG-LLVKDONJSA-N 0 0 402.589 4.756 50 0 HJAARN COC(=O)c1sccc1NC(=O)CSc1nc(C)c(C)n1C1CCCCC1 ZINC000010871151 558530521 /nfs/dbraw/zinc/53/05/21/558530521.db2.gz GSIHKJUSZPQGCL-UHFFFAOYSA-N 0 0 407.561 4.584 50 0 HJAARN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000023056450 558532594 /nfs/dbraw/zinc/53/25/94/558532594.db2.gz BGCLHZSDRIDAIR-MRXNPFEDSA-N 0 0 418.396 4.549 50 0 HJAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CC(C)C)C(=O)C2CCCC2)o1 ZINC000004421713 558534567 /nfs/dbraw/zinc/53/45/67/558534567.db2.gz SSKARDMCAANHAU-UHFFFAOYSA-N 0 0 424.585 4.834 50 0 HJAARN CN(Cc1ccc(Br)s1)C(=O)c1ccc(OCc2cccnc2)cc1 ZINC000023114302 558534841 /nfs/dbraw/zinc/53/48/41/558534841.db2.gz GIGDWEBTWABFOO-UHFFFAOYSA-N 0 0 417.328 4.757 50 0 HJAARN O=C(COc1ccc(Br)cc1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000010881551 558537458 /nfs/dbraw/zinc/53/74/58/558537458.db2.gz UFTSJJIZMXMGEH-UHFFFAOYSA-N 0 0 413.315 4.715 50 0 HJAARN CC[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000023156617 558539666 /nfs/dbraw/zinc/53/96/66/558539666.db2.gz KHYOXPSCBORSSA-MRXNPFEDSA-N 0 0 424.925 4.685 50 0 HJAARN COc1ccc(C)cc1NC(=O)N1CCC(CO)(Cc2ccc(Cl)cc2)CC1 ZINC000023158669 558539989 /nfs/dbraw/zinc/53/99/89/558539989.db2.gz BDTBVJFLTXLONU-UHFFFAOYSA-N 0 0 402.922 4.506 50 0 HJAARN O=C(Cc1cccs1)Nc1nc(-c2cccs2)c(NC(=O)c2ccco2)s1 ZINC000013569957 558541741 /nfs/dbraw/zinc/54/17/41/558541741.db2.gz FGOIBIJTOZPBDC-UHFFFAOYSA-N 0 0 415.521 4.960 50 0 HJAARN Cc1nn2c(nc(Sc3nnc(-c4ccoc4C)n3C)c3ccccc32)c1Cl ZINC000023200085 558542363 /nfs/dbraw/zinc/54/23/63/558542363.db2.gz HDWLIDZLSKOPPJ-UHFFFAOYSA-N 0 0 410.890 4.692 50 0 HJAARN CCC(CC)C(=O)N1CCCN(c2nc3ccccc3nc2-c2ccccc2)CC1 ZINC000023326965 558549292 /nfs/dbraw/zinc/54/92/92/558549292.db2.gz VLBBWCSQUYWJQK-UHFFFAOYSA-N 0 0 402.542 4.772 50 0 HJAARN O=C(NCc1cccnc1)c1cc(-c2cccs2)nc2onc(-c3ccccc3)c21 ZINC000013641274 558555497 /nfs/dbraw/zinc/55/54/97/558555497.db2.gz XWWDQYIPXUBUCW-UHFFFAOYSA-N 0 0 412.474 4.943 50 0 HJAARN Cc1csc(SCc2ccc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)cc2)n1 ZINC000010920004 558561961 /nfs/dbraw/zinc/56/19/61/558561961.db2.gz KGJHVQHTGNYOQW-UHFFFAOYSA-N 0 0 423.563 4.888 50 0 HJAARN Cc1nc(CSc2ccccc2C(=O)N2CCN(Cc3ccccc3)CC2)cs1 ZINC000023605664 558563514 /nfs/dbraw/zinc/56/35/14/558563514.db2.gz ARVCPGHMRMBDJJ-UHFFFAOYSA-N 0 0 423.607 4.702 50 0 HJAARN CN(Cc1ccc(Br)s1)C(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC000023637829 558564128 /nfs/dbraw/zinc/56/41/28/558564128.db2.gz WDKWSFZLPWKXES-UHFFFAOYSA-N 0 0 406.345 4.621 50 0 HJAARN Cc1cc(O)ccc1NC(=O)COc1ccc2c(c1)oc(C)c(-c1ccccc1)c2=O ZINC000013721081 558581816 /nfs/dbraw/zinc/58/18/16/558581816.db2.gz LCBQHYQKTAJJJO-UHFFFAOYSA-N 0 0 415.445 4.800 50 0 HJAARN O=C(OCc1noc(-c2ccco2)n1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000023945085 558582187 /nfs/dbraw/zinc/58/21/87/558582187.db2.gz HAUMIMGTYMCYDD-UHFFFAOYSA-N 0 0 404.300 4.965 50 0 HJAARN COc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=S)Nc2ccccc2)cc1 ZINC000013721569 558582342 /nfs/dbraw/zinc/58/23/42/558582342.db2.gz KQLYZKGYBXRCFB-UHFFFAOYSA-N 0 0 415.518 4.940 50 0 HJAARN COCCCN(Cc1ccccn1)C(=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC000013728132 558585336 /nfs/dbraw/zinc/58/53/36/558585336.db2.gz OYNRADPAOAFWBR-UHFFFAOYSA-N 0 0 417.884 4.989 50 0 HJAARN O=C(CCc1ccc(Cl)cc1)NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000024044971 558586238 /nfs/dbraw/zinc/58/62/38/558586238.db2.gz IFNZYTZUOPPDIG-UHFFFAOYSA-N 0 0 406.235 4.568 50 0 HJAARN CC(C)C(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc2nccnc2c1 ZINC000013734727 558588221 /nfs/dbraw/zinc/58/82/21/558588221.db2.gz WENLFXBFGGICOV-HXUWFJFHSA-N 0 0 423.314 4.726 50 0 HJAARN COc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2F)cc1 ZINC000013770459 558591658 /nfs/dbraw/zinc/59/16/58/558591658.db2.gz SBJRLDYIRGWRDZ-UHFFFAOYSA-N 0 0 416.452 4.831 50 0 HJAARN CCc1nc(CSc2nc3ccccc3c(=O)n2Cc2ccc(OC)cc2)cs1 ZINC000024323210 558594949 /nfs/dbraw/zinc/59/49/49/558594949.db2.gz GRZVFXZXJHIFMA-UHFFFAOYSA-N 0 0 423.563 4.765 50 0 HJAARN O=C(c1ccc2c(c1)NC(=O)CS2)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000024384343 558596856 /nfs/dbraw/zinc/59/68/56/558596856.db2.gz KXTSLLULCXIXHP-MRXNPFEDSA-N 0 0 409.536 4.708 50 0 HJAARN O=C(Oc1ccc(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1)c1ccc(Cl)cc1Cl ZINC000013845406 558597696 /nfs/dbraw/zinc/59/76/96/558597696.db2.gz KRMZSZSUXYGZKO-IYBDPMFKSA-N 0 0 418.276 4.892 50 0 HJAARN COC(=O)c1c2c(sc1NC(=O)CSCc1ccc(Cl)cc1)CCCC2 ZINC000024539314 558600644 /nfs/dbraw/zinc/60/06/44/558600644.db2.gz DEUSOFOXXUUOAH-UHFFFAOYSA-N 0 0 409.960 4.939 50 0 HJAARN c1csc([C@H](CNc2ncnc3scc(-c4ccccc4)c32)N2CCOCC2)c1 ZINC000024574708 558601526 /nfs/dbraw/zinc/60/15/26/558601526.db2.gz QQQWNFPHUFTFMY-SFHVURJKSA-N 0 0 422.579 4.905 50 0 HJAARN CSc1ccc([C@@H]2NC(=S)N=C(C)C2c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000004483831 558603113 /nfs/dbraw/zinc/60/31/13/558603113.db2.gz WKDUUKYABZHMLG-SFHVURJKSA-N 0 0 408.552 4.717 50 0 HJAARN Cc1ccccc1NS(=O)(=O)c1ccc(NC(=S)Nc2cccc(F)c2)cc1 ZINC000013936217 558603860 /nfs/dbraw/zinc/60/38/60/558603860.db2.gz VRPQASNGYZSMRV-UHFFFAOYSA-N 0 0 415.515 4.744 50 0 HJAARN Cc1ccc(N2C[C@@H](c3nnc(NC(=O)CCC4CCCCC4)s3)CC2=O)cc1 ZINC000013944486 558606152 /nfs/dbraw/zinc/60/61/52/558606152.db2.gz XOSCHTFNXSDGOB-KRWDZBQOSA-N 0 0 412.559 4.666 50 0 HJAARN C[C@@H](NC(=O)CCCSc1nc2ccccc2s1)c1ccc2c(c1)OCO2 ZINC000010959750 558606508 /nfs/dbraw/zinc/60/65/08/558606508.db2.gz PYFWWXSQKUKTOM-CYBMUJFWSA-N 0 0 400.525 4.775 50 0 HJAARN CSc1nsc(S[C@@H](C(=O)Nc2ccc(C(C)=O)cc2)c2ccccc2)n1 ZINC000013945449 558606908 /nfs/dbraw/zinc/60/69/08/558606908.db2.gz MJKNATRWJFYKLY-MRXNPFEDSA-N 0 0 415.565 4.935 50 0 HJAARN COc1ccc(-c2nnc3sc(-c4ccc(Cl)c(Cl)c4)nn32)cc1OC ZINC000013956921 558607867 /nfs/dbraw/zinc/60/78/67/558607867.db2.gz XVMFEVGDPBGOKW-UHFFFAOYSA-N 0 0 407.282 4.844 50 0 HJAARN CC(C)N(Cc1nnc(-c2ccccc2)o1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000024707422 558608306 /nfs/dbraw/zinc/60/83/06/558608306.db2.gz DFEZZKXMXZJWSB-UHFFFAOYSA-N 0 0 413.543 4.633 50 0 HJAARN O=C(Nc1c(Cl)cccc1Cl)[C@@H]1CC(c2cccc(Br)c2)=NO1 ZINC000013961046 558608991 /nfs/dbraw/zinc/60/89/91/558608991.db2.gz BVUOEZUNWZUMSX-AWEZNQCLSA-N 0 0 414.086 4.888 50 0 HJAARN CCCCn1nc(C)c2c1nc(C)cc2C(=O)Nc1cnn(Cc2ccc(C)cc2)c1 ZINC000013961426 558609101 /nfs/dbraw/zinc/60/91/01/558609101.db2.gz SBDNUKXIUJUVHH-UHFFFAOYSA-N 0 0 416.529 4.654 50 0 HJAARN 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Cc1ccc(Cl)cc1NC(=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955232 558746907 /nfs/dbraw/zinc/74/69/07/558746907.db2.gz WLSASPGHFZGZKU-UHFFFAOYSA-N 0 0 410.905 4.549 50 0 HJAARN O=C(CN1c2ccccc2N=C(c2ccccc2)CC1=O)NCc1ccc(Cl)cc1 ZINC000015770910 558752326 /nfs/dbraw/zinc/75/23/26/558752326.db2.gz AVPADWCAVFMCAX-UHFFFAOYSA-N 0 0 417.896 4.514 50 0 HJAARN COc1ccc(C(=O)N[C@@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)cc1 ZINC000015778706 558752799 /nfs/dbraw/zinc/75/27/99/558752799.db2.gz YUVVMLJRWHKVRQ-HXUWFJFHSA-N 0 0 419.868 4.918 50 0 HJAARN COc1c(Cl)c(Cl)ccc1S(=O)(=O)NCCC12CC3CC(CC(C3)C1)C2 ZINC000004578124 558754432 /nfs/dbraw/zinc/75/44/32/558754432.db2.gz PQXDKQFRLDGRME-UHFFFAOYSA-N 0 0 418.386 4.887 50 0 HJAARN COc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)cs2)cc1 ZINC000015832706 558755600 /nfs/dbraw/zinc/75/56/00/558755600.db2.gz NZWKUSZCGDUOBI-CQSZACIVSA-N 0 0 416.930 4.864 50 0 HJAARN Cc1cccc(OCc2nc3ccccc3n2C[C@@H](O)COc2cc(C)cc(C)c2)c1 ZINC000015860772 558758724 /nfs/dbraw/zinc/75/87/24/558758724.db2.gz MDZJKSUMOZYJBX-OAQYLSRUSA-N 0 0 416.521 4.980 50 0 HJAARN CC(=O)N1c2ccccc2-c2nnc(SCC(C)C)nc2O[C@@H]1c1ccccc1 ZINC000032997422 558758827 /nfs/dbraw/zinc/75/88/27/558758827.db2.gz PKJBRMIXGQKIAZ-OAQYLSRUSA-N 0 0 406.511 4.731 50 0 HJAARN CC(=O)N1c2ccccc2-c2nnc(SCC(C)C)nc2O[C@@H]1c1cccc(F)c1 ZINC000032997418 558758838 /nfs/dbraw/zinc/75/88/38/558758838.db2.gz GBICZECWRYBFKI-OAQYLSRUSA-N 0 0 424.501 4.870 50 0 HJAARN CCOc1ccc(C(=O)Nc2ccc(OC)c(NC(=O)c3ccccc3C)c2)cc1 ZINC000032998368 558759350 /nfs/dbraw/zinc/75/93/50/558759350.db2.gz IAMUOIGVJMQYID-UHFFFAOYSA-N 0 0 404.466 4.907 50 0 HJAARN CCCNC(=O)c1cc(-c2cnn(-c3ccc(OC)cc3)c2C)nc2ccc(C)cc21 ZINC000033258120 558762993 /nfs/dbraw/zinc/76/29/93/558762993.db2.gz CPAUDUSPSCMORN-UHFFFAOYSA-N 0 0 414.509 4.853 50 0 HJAARN CCc1ccc(C(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)cc1 ZINC000033274139 558763796 /nfs/dbraw/zinc/76/37/96/558763796.db2.gz XQANOTQYFLIJOY-OAQYLSRUSA-N 0 0 401.441 4.958 50 0 HJAARN O=C(Cc1coc2cc3c(cc12)CCC3)Nc1ccccc1C(=O)N1CCCCC1 ZINC000016014280 558766855 /nfs/dbraw/zinc/76/68/55/558766855.db2.gz LIZTYTSGGVOFEH-UHFFFAOYSA-N 0 0 402.494 4.729 50 0 HJAARN CCCOc1ccccc1[C@@H](CC(C)C)Nc1nn2c(nc(CC)cc2=O)s1 ZINC000072307327 558767166 /nfs/dbraw/zinc/76/71/66/558767166.db2.gz OLXMUUXDVKQBCK-QGZVFWFLSA-N 0 0 400.548 4.702 50 0 HJAARN Cc1ccc(N(Cc2ccc(F)cc2Br)[C@H]2C=CS(=O)(=O)C2)cc1C ZINC000072308571 558769663 /nfs/dbraw/zinc/76/96/63/558769663.db2.gz NYTVKWQTSOXKSA-SFHVURJKSA-N 0 0 424.335 4.522 50 0 HJAARN O=C(CSc1nnc2ccccn21)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000016048700 558770796 /nfs/dbraw/zinc/77/07/96/558770796.db2.gz GMHHSVQMYLDXFU-GOSISDBHSA-N 0 0 418.547 4.702 50 0 HJAARN Cc1ccc(C)c(NC(=O)c2c(N)c(C(=O)c3ccc(F)cc3)n3ccccc23)c1 ZINC000004585229 558775498 /nfs/dbraw/zinc/77/54/98/558775498.db2.gz NHWWAPZNEFANPB-UHFFFAOYSA-N 0 0 401.441 4.761 50 0 HJAARN CN(c1ccc(C(=O)Nc2ccccc2F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000016188735 558777008 /nfs/dbraw/zinc/77/70/08/558777008.db2.gz JKOPPBLGOHAUKN-UHFFFAOYSA-N 0 0 418.877 4.557 50 0 HJAARN CC(C)(C)c1ccc(-c2nc3ccccc3c(NCCCN3CCOCC3)n2)cc1 ZINC000019912090 558777504 /nfs/dbraw/zinc/77/75/04/558777504.db2.gz CXLOWULJWKBDEV-UHFFFAOYSA-N 0 0 404.558 4.729 50 0 HJAARN O=C(Nc1ccccc1)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000022340582 558779558 /nfs/dbraw/zinc/77/95/58/558779558.db2.gz OBOWVZHIPFPILC-UHFFFAOYSA-N 0 0 406.310 4.887 50 0 HJAARN Cc1cc(NC(=O)CCCc2nc(-c3ccccc3)no2)ccc1Br ZINC000016282195 558783352 /nfs/dbraw/zinc/78/33/52/558783352.db2.gz NVPNJDSHPXAUDX-UHFFFAOYSA-N 0 0 400.276 4.769 50 0 HJAARN Clc1ccc(I)cc1Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000034775235 558783790 /nfs/dbraw/zinc/78/37/90/558783790.db2.gz YLUHNGIWRCCQMQ-INIZCTEOSA-N 0 0 414.670 4.703 50 0 HJAARN CCOc1cc(/C=C2/SC(=N)NC2=O)ccc1OCc1cccc2ccccc21 ZINC000004587930 558786554 /nfs/dbraw/zinc/78/65/54/558786554.db2.gz NFMNJXPULYKNDN-FYJGNVAPSA-N 0 0 404.491 4.956 50 0 HJAARN CCc1sc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1Br ZINC000016400435 558789934 /nfs/dbraw/zinc/78/99/34/558789934.db2.gz NBTAWVKIOTUGOC-UHFFFAOYSA-N 0 0 421.360 4.951 50 0 HJAARN Cc1nc(Nc2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)cc(-n2ccnc2)n1 ZINC000036705854 558801239 /nfs/dbraw/zinc/80/12/39/558801239.db2.gz STZLPIYRPOCYBW-UHFFFAOYSA-N 0 0 421.411 4.637 50 0 HJAARN CCCSc1ncc(Cl)c(C(=O)Nc2sc(C)c(C)c2C(=O)OCC)n1 ZINC000016742465 558804182 /nfs/dbraw/zinc/80/41/82/558804182.db2.gz UXGXUQYBWWDXJU-UHFFFAOYSA-N 0 0 413.952 4.739 50 0 HJAARN Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccccc2Cl)O3)cc1 ZINC000032983830 558804765 /nfs/dbraw/zinc/80/47/65/558804765.db2.gz RUCQIBZXPHSYNB-LPYMAVHISA-N 0 0 418.880 4.950 50 0 HJAARN CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)cc1OCC ZINC000016751081 558804746 /nfs/dbraw/zinc/80/47/46/558804746.db2.gz BNKRYTDHDRBCEQ-JOCHJYFZSA-N 0 0 421.493 4.936 50 0 HJAARN CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Br)c1 ZINC000016751655 558804862 /nfs/dbraw/zinc/80/48/62/558804862.db2.gz MKTUOVIULKVWFJ-SFHVURJKSA-N 0 0 412.283 4.901 50 0 HJAARN O=C(N[C@@H]1CCCc2ccccc21)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1)O2 ZINC000032984060 558805054 /nfs/dbraw/zinc/80/50/54/558805054.db2.gz ILUMDFCDYMKJHV-MNQDVBFDSA-N 0 0 410.473 4.866 50 0 HJAARN Cc1ccc(NC(=O)c2c(-c3ccc(Cl)cc3)noc2N2CCOCC2)c(C)c1 ZINC000032985106 558805519 /nfs/dbraw/zinc/80/55/19/558805519.db2.gz FAOSFOGEMBUCQQ-UHFFFAOYSA-N 0 0 411.889 4.701 50 0 HJAARN O=S1(=O)c2ccccc2N[C@H](c2ccccc2Cl)N1Cc1cccc(F)c1 ZINC000032986823 558806745 /nfs/dbraw/zinc/80/67/45/558806745.db2.gz JZNGGMPKZMRWQH-FQEVSTJZSA-N 0 0 402.878 4.794 50 0 HJAARN CC(=O)Nc1ccc(OC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 ZINC000032988076 558808098 /nfs/dbraw/zinc/80/80/98/558808098.db2.gz GWGUJDLOBZJJSD-UHFFFAOYSA-N 0 0 417.490 4.838 50 0 HJAARN COc1ccc(Cc2nc3ccccc3n2C[C@@H](O)COc2ccc(C)c(C)c2)cc1 ZINC000016903817 558809021 /nfs/dbraw/zinc/80/90/21/558809021.db2.gz STTYFHVGTBTYHA-OAQYLSRUSA-N 0 0 416.521 4.692 50 0 HJAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1cc2ccccc2cc1NC(=O)C1CC1 ZINC000016963577 558810535 /nfs/dbraw/zinc/81/05/35/558810535.db2.gz QUFDNIWQYKUWEG-UHFFFAOYSA-N 0 0 413.477 4.567 50 0 HJAARN CC(C)CNC(=O)Nc1cccc(-c2noc(-c3ccc(Br)o3)n2)c1 ZINC000032996492 558810684 /nfs/dbraw/zinc/81/06/84/558810684.db2.gz GOTFNFNBBBHEMY-UHFFFAOYSA-N 0 0 405.252 4.537 50 0 HJAARN COc1ccc(NC(=O)Nc2ccn(Cc3cccc4ccccc43)n2)cc1OC ZINC000017082383 558814440 /nfs/dbraw/zinc/81/44/40/558814440.db2.gz WXRYGWCNGDYENW-UHFFFAOYSA-N 0 0 402.454 4.746 50 0 HJAARN Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)c(Cl)c2)n1C ZINC000017087611 558816476 /nfs/dbraw/zinc/81/64/76/558816476.db2.gz RDQAIUGVXTVJSP-UHFFFAOYSA-N 0 0 407.326 4.828 50 0 HJAARN Cc1scc(C(=O)Nn2c(=O)c3cc(-c4ccccc4)sc3[nH]c2=S)c1C ZINC000017089656 558818287 /nfs/dbraw/zinc/81/82/87/558818287.db2.gz CTWOHIPGFKDMMP-UHFFFAOYSA-N 0 0 413.549 4.850 50 0 HJAARN O=C(c1sc2cccc(Cl)c2c1Cl)N1NC(C(F)F)=C[C@@]1(O)C(F)F ZINC000017090187 558818755 /nfs/dbraw/zinc/81/87/55/558818755.db2.gz NJCUHEIEDDWCJV-CQSZACIVSA-N 0 0 415.195 4.629 50 0 HJAARN CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)nnc1C(C)C ZINC000017090402 558819023 /nfs/dbraw/zinc/81/90/23/558819023.db2.gz UHWCXTJFNCJXHR-UHFFFAOYSA-N 0 0 415.588 4.893 50 0 HJAARN Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3[C@H](C)CCC[C@H]3C)cc2)cc1 ZINC000017091208 558819755 /nfs/dbraw/zinc/81/97/55/558819755.db2.gz ZQSZFLPEKLCYPA-IAGOWNOFSA-N 0 0 417.600 4.756 50 0 HJAARN Cc1cc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)nn1C ZINC000017092593 558821086 /nfs/dbraw/zinc/82/10/86/558821086.db2.gz DIHFEQJSXDQSAR-UHFFFAOYSA-N 0 0 421.298 4.959 50 0 HJAARN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)Nc3cnn(Cc4ccccc4)c3)c12 ZINC000017093092 558821582 /nfs/dbraw/zinc/82/15/82/558821582.db2.gz YCOBBRZFYHZGIR-UHFFFAOYSA-N 0 0 422.492 4.534 50 0 HJAARN COc1cccc(OC)c1C(=O)Nc1ccc2nn(-c3ccc(C)c(Cl)c3)nc2c1 ZINC000017093302 558821712 /nfs/dbraw/zinc/82/17/12/558821712.db2.gz WJMXAOKVPWIANS-UHFFFAOYSA-N 0 0 422.872 4.652 50 0 HJAARN O=C(CSc1nccn2nc(-c3ccc(Cl)cc3)cc12)NC1CCCCC1 ZINC000017156536 558824413 /nfs/dbraw/zinc/82/44/13/558824413.db2.gz XOVABVYTYOCSMB-UHFFFAOYSA-N 0 0 400.935 4.591 50 0 HJAARN COc1ccc(C(=O)[C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000017281930 558826452 /nfs/dbraw/zinc/82/64/52/558826452.db2.gz NOLBAQDITSWYOQ-QPPBQGQZSA-N 0 0 402.425 4.587 50 0 HJAARN COc1cc(NC(=O)NCCC(C)C)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000033008671 558828198 /nfs/dbraw/zinc/82/81/98/558828198.db2.gz XXNMSQYPWQJTQQ-UHFFFAOYSA-N 0 0 412.515 4.725 50 0 HJAARN O=C(Nc1cc(NC(=O)c2ccccc2)ccc1N1CCCC1)NC1CCCCC1 ZINC000033009495 558829375 /nfs/dbraw/zinc/82/93/75/558829375.db2.gz UNHXSLMWKLQIAV-UHFFFAOYSA-N 0 0 406.530 4.993 50 0 HJAARN COc1ccc(-c2noc(COc3ccccc3C(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000033012978 558832676 /nfs/dbraw/zinc/83/26/76/558832676.db2.gz OBUFWBDCLPWWNF-UHFFFAOYSA-N 0 0 415.449 4.885 50 0 HJAARN COc1ccc(Nc2ccc(NC(=O)C[C@@H](NC(C)=O)c3ccccc3)cc2)cc1 ZINC000010633325 558833135 /nfs/dbraw/zinc/83/31/35/558833135.db2.gz JYUBQAVUDIBQEU-HSZRJFAPSA-N 0 0 403.482 4.645 50 0 HJAARN C[C@@H]1CCC[C@H](NC(=O)CCC(=O)Nc2ccc(OCc3ccccc3)cc2)[C@@H]1C ZINC000004598753 558834917 /nfs/dbraw/zinc/83/49/17/558834917.db2.gz BOQRVJRRDQKUTH-PWHSHALESA-N 0 0 408.542 4.925 50 0 HJAARN NC(=O)c1cc(Cl)ccc1OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 ZINC000011114181 558836362 /nfs/dbraw/zinc/83/63/62/558836362.db2.gz CKAPIVOTNLCRPR-QFIPXVFZSA-N 0 0 413.832 4.765 50 0 HJAARN COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(F)cc1 ZINC000046006550 558838898 /nfs/dbraw/zinc/83/88/98/558838898.db2.gz AQBWTJWIEGXLCJ-UHFFFAOYSA-N 0 0 418.472 4.756 50 0 HJAARN CCc1ccccc1NC(=O)Nc1cc2c(cc1Oc1ccccc1)n(C)c(=O)n2C ZINC000046009406 558839056 /nfs/dbraw/zinc/83/90/56/558839056.db2.gz ZQAXDSGTKQUPKD-UHFFFAOYSA-N 0 0 416.481 4.876 50 0 HJAARN Cc1ccc(NC(=O)Cc2c(C)nc3nc(-c4cccs4)nn3c2C)cc1Cl ZINC000046023994 558839381 /nfs/dbraw/zinc/83/93/81/558839381.db2.gz LUOGVQMHWSMKBK-UHFFFAOYSA-N 0 0 411.918 4.613 50 0 HJAARN CC[C@H](C)NC(=O)CCC(=O)Nc1ccc2nc(N3C[C@H](C)C[C@@H](C)C3)cc(C)c2c1 ZINC000013573786 558844786 /nfs/dbraw/zinc/84/47/86/558844786.db2.gz YSXMEJABVQDFFB-LMMKCTJWSA-N 0 0 424.589 4.659 50 0 HJAARN Cc1ccc(-c2nnc(SCC(=O)N3CCC(C)CC3)n2-c2ccccc2)cc1C ZINC000033025597 558846280 /nfs/dbraw/zinc/84/62/80/558846280.db2.gz PGYDIKOEVGRTBK-UHFFFAOYSA-N 0 0 420.582 4.902 50 0 HJAARN Cc1ccn2c(=O)cc(CSc3ccccc3NC(=O)c3ccccc3F)nc2c1 ZINC000033025961 558847071 /nfs/dbraw/zinc/84/70/71/558847071.db2.gz BCYIVPVZEDQVGG-UHFFFAOYSA-N 0 0 419.481 4.687 50 0 HJAARN Cc1nn2cc(CNCc3cn(C)nc3-c3ccc(C4CCCCC4)cc3)nc2s1 ZINC000019228680 558853177 /nfs/dbraw/zinc/85/31/77/558853177.db2.gz UGTFPWCTPCJALA-UHFFFAOYSA-N 0 0 420.586 4.837 50 0 HJAARN Cc1ccc(NC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)c(Cl)c1 ZINC000033031657 558855533 /nfs/dbraw/zinc/85/55/33/558855533.db2.gz YPYIJBBXUBPIQC-UHFFFAOYSA-N 0 0 411.864 4.774 50 0 HJAARN CCOc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)N4CCCC4)c3)C2)cc1 ZINC000033035116 558859232 /nfs/dbraw/zinc/85/92/32/558859232.db2.gz PGZMYYASTKBYBR-NRFANRHFSA-N 0 0 421.541 4.733 50 0 HJAARN CCn1nc(Br)nc1Sc1ccccc1NC(=O)c1cccc(C)c1 ZINC000033036370 558859507 /nfs/dbraw/zinc/85/95/07/558859507.db2.gz GLYVLMCNEKXRTF-UHFFFAOYSA-N 0 0 417.332 4.772 50 0 HJAARN O=C(NCCc1c[nH]c2ccc(F)cc12)c1cc2cc(Br)ccc2o1 ZINC000013725838 558860491 /nfs/dbraw/zinc/86/04/91/558860491.db2.gz OGOVQZKSINJUGT-UHFFFAOYSA-N 0 0 401.235 4.788 50 0 HJAARN CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)N2CCCCC2)cc1 ZINC000033037226 558861514 /nfs/dbraw/zinc/86/15/14/558861514.db2.gz YQGSWDFUMFLXJE-UHFFFAOYSA-N 0 0 416.525 4.741 50 0 HJAARN Cc1cc(C)nc(Sc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)n1 ZINC000023012372 558862801 /nfs/dbraw/zinc/86/28/01/558862801.db2.gz KQOQLVYTXYELGR-UHFFFAOYSA-N 0 0 403.463 4.603 50 0 HJAARN Cc1[nH]c2ccccc2c1[C@@H](c1ccccn1)N1CCN(c2ccccc2F)CC1 ZINC000054114371 558866253 /nfs/dbraw/zinc/86/62/53/558866253.db2.gz CCVNWUIPFMAOTJ-RUZDIDTESA-N 0 0 400.501 4.922 50 0 HJAARN CCOc1ccccc1NC(=O)CCCc1nc2cccnc2n1Cc1ccccc1 ZINC000033072565 558867042 /nfs/dbraw/zinc/86/70/42/558867042.db2.gz KDFZGWPLMJDTLS-UHFFFAOYSA-N 0 0 414.509 4.840 50 0 HJAARN Cc1ccc2[nH]c3c(ncnc3SCC(=O)N[C@@H](C)CCc3ccccc3)c2c1 ZINC000072331965 558868626 /nfs/dbraw/zinc/86/86/26/558868626.db2.gz MOZRTBIWJZKYDU-INIZCTEOSA-N 0 0 404.539 4.649 50 0 HJAARN Cc1ccc2[nH]c3c(ncnc3SCC(=O)NCCc3ccc(Cl)cc3)c2c1 ZINC000072331968 558868711 /nfs/dbraw/zinc/86/87/11/558868711.db2.gz ADAAYMNCEKYODE-UHFFFAOYSA-N 0 0 410.930 4.524 50 0 HJAARN Cc1cc(C)c(NC(=O)c2nc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)c(C)c1 ZINC000033088493 558870501 /nfs/dbraw/zinc/87/05/01/558870501.db2.gz WPFZROYAKVZRSV-UHFFFAOYSA-N 0 0 415.375 4.581 50 0 HJAARN Cc1ccc(CN2CCOc3ccc([C@](C)(O)COc4ccccc4)cc3C2)s1 ZINC000055052540 558870614 /nfs/dbraw/zinc/87/06/14/558870614.db2.gz YXBSQLHGRIMWHO-XMMPIXPASA-N 0 0 409.551 4.738 50 0 HJAARN C[C@H]1Cc2cc(Br)cc3c2n1cc(C(=O)NCCC1=CCCCC1)c3=O ZINC000033089159 558871765 /nfs/dbraw/zinc/87/17/65/558871765.db2.gz ZKPDRKOTKGJDKS-ZDUSSCGKSA-N 0 0 415.331 4.501 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C ZINC000033088672 558871808 /nfs/dbraw/zinc/87/18/08/558871808.db2.gz QJAFAIPZPUQTOT-UHFFFAOYSA-N 0 0 412.898 4.706 50 0 HJAARN Cc1ccc(NC(=O)c2ccc3c(c2)-c2ccccc2S(=O)(=O)N3C)cc1Cl ZINC000033088674 558871833 /nfs/dbraw/zinc/87/18/33/558871833.db2.gz RHVNCIAWDQCLTJ-UHFFFAOYSA-N 0 0 412.898 4.706 50 0 HJAARN Cc1cc(C)cc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@H]3C)c1 ZINC000033089194 558872011 /nfs/dbraw/zinc/87/20/11/558872011.db2.gz VCSBKZHJXAHTEC-CYBMUJFWSA-N 0 0 411.299 4.750 50 0 HJAARN C[C@@H]1CCC[C@H](NC(=O)c2ccc(-n3c(=O)c4ccccc4[nH]c3=S)cc2)[C@@H]1C ZINC000004657998 558872102 /nfs/dbraw/zinc/87/21/02/558872102.db2.gz VNNQKMKIWJSKDE-CLCXKQKWSA-N 0 0 407.539 4.603 50 0 HJAARN C[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(-n3c(=O)c4ccccc4[nH]c3=S)cc2)[C@@H]1C ZINC000004657969 558872152 /nfs/dbraw/zinc/87/21/52/558872152.db2.gz ZWPBVTCTENPOIH-JXXFODFXSA-N 0 0 421.566 4.532 50 0 HJAARN Cc1ccccc1CSc1nnc(CN(C)Cc2ccccc2)n1C[C@@H]1CCCO1 ZINC000055131322 558873506 /nfs/dbraw/zinc/87/35/06/558873506.db2.gz SFCMBNIDCSQWGY-QFIPXVFZSA-N 0 0 422.598 4.690 50 0 HJAARN O=C(CC1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1)NC1CCCCC1 ZINC000033113916 558875691 /nfs/dbraw/zinc/87/56/91/558875691.db2.gz HQFNHOIJCTVRGM-UHFFFAOYSA-N 0 0 401.938 4.513 50 0 HJAARN FC(F)(F)c1ccccc1CN1CCN(Cc2cccc(Br)c2)CC1 ZINC000019361479 558876395 /nfs/dbraw/zinc/87/63/95/558876395.db2.gz BLFGFXFNFCQYCQ-UHFFFAOYSA-N 0 0 413.281 4.786 50 0 HJAARN CCOC(=O)[C@H]1CCCN(C(=O)Cc2c3ccccc3[nH]c2Sc2ccccc2)C1 ZINC000033116290 558877692 /nfs/dbraw/zinc/87/76/92/558877692.db2.gz QDEFHDSNWQVTQN-KRWDZBQOSA-N 0 0 422.550 4.663 50 0 HJAARN CNc1ccc(Br)cc(C(=O)/C=C/c2cccc(C(F)(F)F)c2)c1=O ZINC000004667407 558877936 /nfs/dbraw/zinc/87/79/36/558877936.db2.gz KYBMEJYYXMRBAI-VMPITWQZSA-N 0 0 412.205 4.766 50 0 HJAARN CCOc1c2cc(NC(=O)c3cc4ccc(OC)cc4[nH]3)ccc2sc1C(=O)OC ZINC000033123426 558879876 /nfs/dbraw/zinc/87/98/76/558879876.db2.gz PVXFDMWYXHLPKI-UHFFFAOYSA-N 0 0 424.478 4.829 50 0 HJAARN CCc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCc3ccccc32)cc1 ZINC000033127937 558881191 /nfs/dbraw/zinc/88/11/91/558881191.db2.gz ARZFTMLFPRJPPP-QHCPKHFHSA-N 0 0 413.521 4.571 50 0 HJAARN CSc1cccc(NC(=O)N[C@H](C(=O)N2CCc3ccccc32)c2ccccc2)c1 ZINC000033127900 558881257 /nfs/dbraw/zinc/88/12/57/558881257.db2.gz UXPUZFGTZRBIFI-QFIPXVFZSA-N 0 0 417.534 4.861 50 0 HJAARN Cc1cccc(NC(=O)[C@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)c1 ZINC000033128227 558881945 /nfs/dbraw/zinc/88/19/45/558881945.db2.gz INTFCAXQUJDYJW-HNNXBMFYSA-N 0 0 413.930 4.622 50 0 HJAARN COc1ccc2cc(C(=O)[C@H]3CCCN(Cc4c(C)nc5sccn45)C3)ccc2c1 ZINC000055575919 558883127 /nfs/dbraw/zinc/88/31/27/558883127.db2.gz ZNKZMFHDUSCMPF-FQEVSTJZSA-N 0 0 419.550 4.961 50 0 HJAARN Cc1ccc(-c2cc3nc(C[N@@H+](Cc4cccs4)CC(C)C)cc(=O)n3[n-]2)cc1 ZINC000033126343 558883994 /nfs/dbraw/zinc/88/39/94/558883994.db2.gz KENSXUGRVSWJAR-UHFFFAOYSA-N 0 0 406.555 4.718 50 0 HJAARN Cc1ccccc1Cc1c(C)nc2c(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)cnn2c1C ZINC000004671795 558885884 /nfs/dbraw/zinc/88/58/84/558885884.db2.gz VXSFXBRUEVXBSD-WSZRMNBISA-N 0 0 404.558 4.800 50 0 HJAARN O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1cccc2ccccc21 ZINC000057291752 558887977 /nfs/dbraw/zinc/88/79/77/558887977.db2.gz XDLZGRKYTGZPBZ-UHFFFAOYSA-N 0 0 413.443 4.619 50 0 HJAARN Cc1ccccc1C(=O)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1 ZINC000057251200 558887984 /nfs/dbraw/zinc/88/79/84/558887984.db2.gz LITAEEUGNOZOSH-UHFFFAOYSA-N 0 0 403.501 4.709 50 0 HJAARN O=C(Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1)c1ccccc1F ZINC000057251194 558888034 /nfs/dbraw/zinc/88/80/34/558888034.db2.gz BHLKHSMKPIJLPU-UHFFFAOYSA-N 0 0 407.464 4.539 50 0 HJAARN O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCN1C(=O)c1ccc2ccccc2n1 ZINC000033133155 558888207 /nfs/dbraw/zinc/88/82/07/558888207.db2.gz XQCMKGMMJOXUMS-LJQANCHMSA-N 0 0 414.292 4.785 50 0 HJAARN Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cc(Br)cnc1Cl ZINC000060365147 558888624 /nfs/dbraw/zinc/88/86/24/558888624.db2.gz ITJHOFDLXXMFJZ-UHFFFAOYSA-N 0 0 419.666 4.641 50 0 HJAARN O=C(NCc1ccco1)c1ccc(Oc2nccnc2Sc2ccccc2)cc1 ZINC000033139977 558891809 /nfs/dbraw/zinc/89/18/09/558891809.db2.gz HDMDNWRVIQRJCJ-UHFFFAOYSA-N 0 0 403.463 4.943 50 0 HJAARN CC[C@@H](C)NC(=O)c1ccc(CNC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1 ZINC000057991136 558892635 /nfs/dbraw/zinc/89/26/35/558892635.db2.gz FPWQVRCCEBQKJA-LJQANCHMSA-N 0 0 422.569 4.742 50 0 HJAARN CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(OC)cc3)sc2c1 ZINC000004682099 558894888 /nfs/dbraw/zinc/89/48/88/558894888.db2.gz CTLFGHYFMBRDPR-UHFFFAOYSA-N 0 0 415.540 4.774 50 0 HJAARN COc1ccc([C@@H](C)NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)cc1F ZINC000033160302 558895565 /nfs/dbraw/zinc/89/55/65/558895565.db2.gz CBGQOHJXZAIZDG-CYBMUJFWSA-N 0 0 418.921 4.955 50 0 HJAARN CC(=O)CCc1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000058096883 558898670 /nfs/dbraw/zinc/89/86/70/558898670.db2.gz NMASUWCYBXSAQE-UHFFFAOYSA-N 0 0 401.506 4.816 50 0 HJAARN Cc1cccc(/C=C2/Oc3ccccc3N(CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)C2=O)c1 ZINC000004688810 558899223 /nfs/dbraw/zinc/89/92/23/558899223.db2.gz BVLIAGSYENUHLE-WSJMVRPXSA-N 0 0 418.537 4.702 50 0 HJAARN Cc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccc(N2CCC(C)CC2)nc1 ZINC000058141613 558901430 /nfs/dbraw/zinc/90/14/30/558901430.db2.gz XVGOZYGLOSYILW-UHFFFAOYSA-N 0 0 408.933 4.758 50 0 HJAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CCc2ccccc21 ZINC000033173575 558901597 /nfs/dbraw/zinc/90/15/97/558901597.db2.gz HJMVTYPQNQVKQC-UHFFFAOYSA-N 0 0 422.428 4.674 50 0 HJAARN Cc1ccc(C)c(NC(=O)CSc2nnc(Cc3cccc4ccccc43)n2C)c1 ZINC000004700418 558908100 /nfs/dbraw/zinc/90/81/00/558908100.db2.gz FUEFBRRAELQJHR-UHFFFAOYSA-N 0 0 416.550 4.907 50 0 HJAARN Cn1c2ccccc2nc1-c1cccc(NC(=O)CSCC(=O)c2ccccc2)c1 ZINC000058173273 558908567 /nfs/dbraw/zinc/90/85/67/558908567.db2.gz RLVMAASTEAOZPG-UHFFFAOYSA-N 0 0 415.518 4.795 50 0 HJAARN Cc1ccc(OCCN(C)C(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)cc1 ZINC000033223071 558913069 /nfs/dbraw/zinc/91/30/69/558913069.db2.gz XJLYCDJJEWETCM-UHFFFAOYSA-N 0 0 420.484 4.846 50 0 HJAARN CCC[C@@H](NC(=O)NCC(=O)Nc1ccc(Br)cc1C)c1cccs1 ZINC000058223053 558913147 /nfs/dbraw/zinc/91/31/47/558913147.db2.gz MZVKRUIPVTYBSY-OAHLLOKOSA-N 0 0 424.364 4.598 50 0 HJAARN COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000004703945 558913344 /nfs/dbraw/zinc/91/33/44/558913344.db2.gz DZHGHTNSHWGBES-UHFFFAOYSA-N 0 0 417.962 4.774 50 0 HJAARN Cc1nc2cc(NC(=O)c3cc(Cl)ccc3I)ccc2o1 ZINC000033229944 558914071 /nfs/dbraw/zinc/91/40/71/558914071.db2.gz YWTCEJYQAMJFEZ-UHFFFAOYSA-N 0 0 412.614 4.647 50 0 HJAARN CC[C@@H](C)N(Cc1ccc(OS(=O)(=O)CC)cc1)C(=O)Nc1ccccc1C ZINC000004709093 558914085 /nfs/dbraw/zinc/91/40/85/558914085.db2.gz ZLABGOZEBVTYHV-QGZVFWFLSA-N 0 0 404.532 4.556 50 0 HJAARN CC[C@H](C(=O)Nc1ccc(F)cc1)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251098 558919482 /nfs/dbraw/zinc/91/94/82/558919482.db2.gz PPVKYVCNMCBINZ-MRXNPFEDSA-N 0 0 421.394 4.761 50 0 HJAARN CC(C)Cn1ccc2cc(NC(=O)NCCc3cc(F)cc4c3OCOC4)ccc21 ZINC000058327744 558919812 /nfs/dbraw/zinc/91/98/12/558919812.db2.gz UWECZEJEPVORCK-UHFFFAOYSA-N 0 0 411.477 4.667 50 0 HJAARN CCc1ccc([C@H](NC(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)C(C)C)cc1 ZINC000058341187 558920352 /nfs/dbraw/zinc/92/03/52/558920352.db2.gz KWKRGQHVONPTAD-IEBWSBKVSA-N 0 0 414.493 4.667 50 0 HJAARN CCOC(=O)c1ccn(-c2cccc(NC(=O)N(Cc3cccc(F)c3)C(C)C)c2)n1 ZINC000058342912 558920679 /nfs/dbraw/zinc/92/06/79/558920679.db2.gz ABJLILGTXNSDNC-UHFFFAOYSA-N 0 0 424.476 4.631 50 0 HJAARN Cc1ccc(NC(=O)N[C@H](C(=O)N(C)C)c2ccccc2)c(OCc2ccccc2)c1 ZINC000058343228 558920764 /nfs/dbraw/zinc/92/07/64/558920764.db2.gz JTEICDCGRFKCDZ-QHCPKHFHSA-N 0 0 417.509 4.525 50 0 HJAARN COc1ccc2[nH]c(C(=O)NCc3ccc(C)cc3)c(NC(=O)c3ccccc3)c2c1 ZINC000033252540 558920831 /nfs/dbraw/zinc/92/08/31/558920831.db2.gz JTUNDRKOLBEYAP-UHFFFAOYSA-N 0 0 413.477 4.667 50 0 HJAARN O=C(C[C@H]1CCCO1)Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1 ZINC000058358092 558921663 /nfs/dbraw/zinc/92/16/63/558921663.db2.gz NHMRZBLMPRXRGS-CYBMUJFWSA-N 0 0 419.250 4.904 50 0 HJAARN COC(=O)c1cc2ccccc2cc1NC(=O)c1cc(C(C)C)nc2c1c(C)nn2C ZINC000058381385 558923065 /nfs/dbraw/zinc/92/30/65/558923065.db2.gz DWUWLHHKHHBKCJ-UHFFFAOYSA-N 0 0 416.481 4.592 50 0 HJAARN CC(C)[C@@H](NC(=O)c1ccco1)c1nc(-c2ccc(N3CCCCCC3)cc2)no1 ZINC000033255513 558923342 /nfs/dbraw/zinc/92/33/42/558923342.db2.gz KPXBXTFYNJGJRC-HXUWFJFHSA-N 0 0 408.502 4.837 50 0 HJAARN CCCNC(=O)Nc1ccc(-c2noc(-c3ccc(Br)cc3)n2)cc1 ZINC000033257145 558924051 /nfs/dbraw/zinc/92/40/51/558924051.db2.gz WHWJYZRRHDFHLK-UHFFFAOYSA-N 0 0 401.264 4.698 50 0 HJAARN O=C1CCCN1c1ccc(OCc2coc(-c3ccc(Br)cc3)n2)cc1 ZINC000058401944 558924123 /nfs/dbraw/zinc/92/41/23/558924123.db2.gz KFCNFLAHIZHVSV-UHFFFAOYSA-N 0 0 413.271 4.810 50 0 HJAARN CC(C)NC(=O)Nc1cccc(-c2noc(Cc3ccccc3Br)n2)c1 ZINC000033257433 558924254 /nfs/dbraw/zinc/92/42/54/558924254.db2.gz RVMMPMAFHGCRTH-UHFFFAOYSA-N 0 0 415.291 4.620 50 0 HJAARN O=C(Nc1ccccc1Cl)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2)CC1 ZINC000033258237 558924819 /nfs/dbraw/zinc/92/48/19/558924819.db2.gz 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CCOc1ccc(-c2noc(CSc3ccc(-c4ccccc4)nn3)n2)cc1OC ZINC000033262436 558931227 /nfs/dbraw/zinc/93/12/27/558931227.db2.gz IMEMETRPYCEZJN-UHFFFAOYSA-N 0 0 420.494 4.893 50 0 HJAARN CCCN(Cc1cc(=O)n2cc(C)ccc2n1)[C@H](C)c1ccccc1Br ZINC000059121812 558932005 /nfs/dbraw/zinc/93/20/05/558932005.db2.gz UAGKGYJEOPKBLT-MRXNPFEDSA-N 0 0 414.347 4.739 50 0 HJAARN Cc1[nH]c2c(cccc2Cl)c1CCNS(=O)(=O)c1cc(C)c(Cl)cc1C ZINC000004727236 558932451 /nfs/dbraw/zinc/93/24/51/558932451.db2.gz HZCKMBLZCQGYQN-UHFFFAOYSA-N 0 0 411.354 4.921 50 0 HJAARN COc1ccccc1NC(=O)NCCCn1c(-c2ccc(C)cc2)nc2cccnc21 ZINC000033263803 558933012 /nfs/dbraw/zinc/93/30/12/558933012.db2.gz CEESYSIXYBFUOK-UHFFFAOYSA-N 0 0 415.497 4.627 50 0 HJAARN Cc1ccc(CN2c3ccc(Cl)cc3[C@@](O)(CC(=O)c3ccc(F)cc3)C2=O)cc1 ZINC000059272746 558933350 /nfs/dbraw/zinc/93/33/50/558933350.db2.gz IKKMDRFKSIVTSJ-DEOSSOPVSA-N 0 0 423.871 4.795 50 0 HJAARN Cc1ccc(C(=O)N2CCN(c3ncnc4sc(-c5ccccc5)cc43)CC2)s1 ZINC000059734664 558938421 /nfs/dbraw/zinc/93/84/21/558938421.db2.gz GQZZMSIZHBUQKD-UHFFFAOYSA-N 0 0 420.563 4.691 50 0 HJAARN CC[C@H]1CCCCN1C(=O)COC(=O)/C(=C/c1cccc(OC)c1)c1ccccc1 ZINC000011203083 558945603 /nfs/dbraw/zinc/94/56/03/558945603.db2.gz MRSACZXPGMDMCO-KYCFSCSMSA-N 0 0 407.510 4.570 50 0 HJAARN Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@H](c2ccc(F)cc2F)CC(=O)N3)c1 ZINC000021784912 558949800 /nfs/dbraw/zinc/94/98/00/558949800.db2.gz GSNLAOCPLFTVSA-HNNXBMFYSA-N 0 0 413.449 4.535 50 0 HJAARN Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@H](c2cc(F)ccc2F)CC(=O)N3)c1 ZINC000021784983 558949963 /nfs/dbraw/zinc/94/99/63/558949963.db2.gz XGDZFYBAONYYBB-HNNXBMFYSA-N 0 0 413.449 4.535 50 0 HJAARN Cc1ccccc1CSc1nc2c(c(=O)[nH]1)[C@@H](c1cc(F)cc(F)c1)CC(=O)N2 ZINC000021784841 558949970 /nfs/dbraw/zinc/94/99/70/558949970.db2.gz PQGAQSFCZWYZHF-MRXNPFEDSA-N 0 0 413.449 4.535 50 0 HJAARN CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1ccc(OC)cc1 ZINC000021787306 558950547 /nfs/dbraw/zinc/95/05/47/558950547.db2.gz ALCVDJUJKFQXMO-JOCHJYFZSA-N 0 0 407.514 4.588 50 0 HJAARN Cc1ccc(N2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC2CCCC2)cc1C ZINC000021809473 558952893 /nfs/dbraw/zinc/95/28/93/558952893.db2.gz AGSVXVBFDLAMNS-DEOSSOPVSA-N 0 0 421.566 4.798 50 0 HJAARN CC[C@@H](C)N1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021809822 558953045 /nfs/dbraw/zinc/95/30/45/558953045.db2.gz XGBDXOCNGZCBCQ-IVZQSRNASA-N 0 0 401.576 4.555 50 0 HJAARN Cc1oc(-c2ccc(C(C)C)cc2)nc1Cn1cnc2nc3c(cc2c1=O)CCCC3 ZINC000033059676 558953840 /nfs/dbraw/zinc/95/38/40/558953840.db2.gz GLHSXJDBJBOSNG-UHFFFAOYSA-N 0 0 414.509 4.805 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)CSCc1cc(=O)c2c(C)ccc(C)c2[nH]1 ZINC000033064134 558956976 /nfs/dbraw/zinc/95/69/76/558956976.db2.gz PEXFAAZCPUCMKF-UHFFFAOYSA-N 0 0 400.931 4.979 50 0 HJAARN Cc1ccc2nc(COc3ccc(NC(=O)Nc4ccccc4C)cc3)cc(=O)n2c1 ZINC000033068180 558958481 /nfs/dbraw/zinc/95/84/81/558958481.db2.gz SCRSRLVNGMWCLI-UHFFFAOYSA-N 0 0 414.465 4.534 50 0 HJAARN Cc1csc([C@@H](C)N(C)C(=O)c2cc(-c3cncnc3)nc3c(C)cccc23)n1 ZINC000063848017 558959447 /nfs/dbraw/zinc/95/94/47/558959447.db2.gz MFKXRJVNXCRIAZ-OAHLLOKOSA-N 0 0 403.511 4.598 50 0 HJAARN Cc1nn(-c2nc(-c3ccc(F)cc3)cs2)c(C)c1CC(=O)N1CCCCCC1 ZINC000064790223 558965572 /nfs/dbraw/zinc/96/55/72/558965572.db2.gz PLSCFFWBUPPDQI-UHFFFAOYSA-N 0 0 412.534 4.697 50 0 HJAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1cccc(C(=O)NC2CCCCC2)c1 ZINC000064816993 558966246 /nfs/dbraw/zinc/96/62/46/558966246.db2.gz ODUBTMCUUUZPGJ-UHFFFAOYSA-N 0 0 424.570 4.905 50 0 HJAARN Cc1ccc(Cn2c(=O)oc3ccc(C(=O)NCc4ccccc4Cl)cc32)cc1 ZINC000064894441 558967303 /nfs/dbraw/zinc/96/73/03/558967303.db2.gz IVBTYDVHLTUMHE-UHFFFAOYSA-N 0 0 406.869 4.535 50 0 HJAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCCCC[C@H]1c1cccc(C)c1 ZINC000064984284 558968379 /nfs/dbraw/zinc/96/83/79/558968379.db2.gz RJMIDDQBJUYPOS-NRFANRHFSA-N 0 0 400.544 4.568 50 0 HJAARN O=S(=O)(c1ccc(Br)s1)N1CCCCC[C@@H]1c1cccs1 ZINC000064984124 558968426 /nfs/dbraw/zinc/96/84/26/558968426.db2.gz SDVPELNKESOXJV-LLVKDONJSA-N 0 0 406.392 4.878 50 0 HJAARN O=S(=O)(NCCc1cccs1)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004901 558969678 /nfs/dbraw/zinc/96/96/78/558969678.db2.gz CJWCHCANIYPAAH-UHFFFAOYSA-N 0 0 408.570 4.643 50 0 HJAARN COc1cc2cc(CN(C)Cc3cc[nH]n3)c(-c3cccc(Cl)c3)nc2cc1OC ZINC000072419801 558978396 /nfs/dbraw/zinc/97/83/96/558978396.db2.gz RCBWMQFAZBHMQO-UHFFFAOYSA-N 0 0 422.916 4.928 50 0 HJAARN CC(=O)N1N=C(c2cccc(Br)c2)O[C@H]1c1cc(C)nc2ccccc21 ZINC000021941398 558979139 /nfs/dbraw/zinc/97/91/39/558979139.db2.gz DIUGQGWNYVYNRO-FQEVSTJZSA-N 0 0 410.271 4.545 50 0 HJAARN CC(=O)c1cc2c(cc1NC(=O)C=Cc1ccc(Cl)c(C(F)(F)F)c1)OCO2 ZINC000096601735 558980852 /nfs/dbraw/zinc/98/08/52/558980852.db2.gz SUQDFMJPDMJCJR-HYXAFXHYSA-N 0 0 411.763 4.942 50 0 HJAARN COC(=O)c1ccccc1NC(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c21 ZINC000021957885 558981822 /nfs/dbraw/zinc/98/18/22/558981822.db2.gz XVTTVLGIJOLDLJ-UHFFFAOYSA-N 0 0 421.478 4.915 50 0 HJAARN COc1ccc(CN(Cc2cc(=O)n3c(C)csc3n2)c2ccc(C)cc2)cc1 ZINC000033068998 558981847 /nfs/dbraw/zinc/98/18/47/558981847.db2.gz CRQFOBTXMJKYMF-UHFFFAOYSA-N 0 0 405.523 4.588 50 0 HJAARN CCC[C@@H](NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000036420486 558986515 /nfs/dbraw/zinc/98/65/15/558986515.db2.gz WEUQCIONJNMBFM-YADHBBJMSA-N 0 0 408.542 4.642 50 0 HJAARN O=C(Cn1cc(-c2ccccc2)c2ncnc(N3CCCCC3)c21)Nc1ccccc1 ZINC000033267992 558990603 /nfs/dbraw/zinc/99/06/03/558990603.db2.gz QXBOKXWXFZIJTA-UHFFFAOYSA-N 0 0 411.509 4.727 50 0 HJAARN CCOC(=O)c1ccc(Nc2c(CC)c(C)nc3nc(-c4ccccc4)nn32)cc1 ZINC000033268295 558991478 /nfs/dbraw/zinc/99/14/78/558991478.db2.gz FHTGOUKTGGSINI-UHFFFAOYSA-N 0 0 401.470 4.582 50 0 HJAARN CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3cccc4cccnc43)nc2)C1 ZINC000067688865 558991500 /nfs/dbraw/zinc/99/15/00/558991500.db2.gz VYYNDJHRLKFYEZ-FQEVSTJZSA-N 0 0 401.510 4.764 50 0 HJAARN Cc1ccc(CNC(=O)CSc2cc(C)nc3c(-c4ccc(F)cc4)cnn32)cc1 ZINC000033268955 558993457 /nfs/dbraw/zinc/99/34/57/558993457.db2.gz FSTOIYODWSDGJH-UHFFFAOYSA-N 0 0 420.513 4.561 50 0 HJAARN O=C([C@H]1CC1(F)F)N1CCOc2c(O)cc(-c3csc4ccccc43)cc2C1 ZINC000067867815 558994243 /nfs/dbraw/zinc/99/42/43/558994243.db2.gz NXCZMPDSJBWGLX-MRXNPFEDSA-N 0 0 401.434 4.650 50 0 HJAARN CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3ccc4ncccc4c3)nc2)C1 ZINC000067883521 558994376 /nfs/dbraw/zinc/99/43/76/558994376.db2.gz VBXHKNUPFLATMN-NRFANRHFSA-N 0 0 401.510 4.764 50 0 HJAARN CCCn1c([C@H]2CCN(C(=O)c3ccc(C(F)(F)F)s3)C2)nc2cccnc21 ZINC000097123350 558995738 /nfs/dbraw/zinc/99/57/38/558995738.db2.gz SEGXOECYYJGSJD-LBPRGKRZSA-N 0 0 408.449 4.551 50 0 HJAARN CCCn1c([C@@H]2CCN(C(=O)c3ccc(C(F)(F)F)s3)C2)nc2cccnc21 ZINC000097123346 558995771 /nfs/dbraw/zinc/99/57/71/558995771.db2.gz SEGXOECYYJGSJD-GFCCVEGCSA-N 0 0 408.449 4.551 50 0 HJAARN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000097117414 558996111 /nfs/dbraw/zinc/99/61/11/558996111.db2.gz OESZVJCUTJOTOW-YADHBBJMSA-N 0 0 408.542 4.529 50 0 HJAARN Cc1nc(COc2ccccc2C(=O)NCc2coc(-c3cccs3)n2)cs1 ZINC000023077815 558999213 /nfs/dbraw/zinc/99/92/13/558999213.db2.gz HGMJOHIEWLFRNT-UHFFFAOYSA-N 0 0 411.508 4.677 50 0 HJAARN O=C(c1ccc(CSc2nc(-c3ccc(Cl)cc3)cs2)o1)N1CCOCC1 ZINC000023136439 559018863 /nfs/dbraw/zinc/01/88/63/559018863.db2.gz SHMOEEJRYADXMQ-UHFFFAOYSA-N 0 0 420.943 4.821 50 0 HJAARN O=C(Nc1ccc2c(c1)OCCO2)c1csc(Nc2ccc(OC(F)F)cc2)n1 ZINC000023136868 559018914 /nfs/dbraw/zinc/01/89/14/559018914.db2.gz UBECJGHJUYASTP-UHFFFAOYSA-N 0 0 419.409 4.512 50 0 HJAARN O=C(c1cc(Cl)ccc1Cl)N1CCN(Cc2nc(-c3ccco3)cs2)CC1 ZINC000023137283 559019032 /nfs/dbraw/zinc/01/90/32/559019032.db2.gz XFRIHCOCAMVZTR-UHFFFAOYSA-N 0 0 422.337 4.668 50 0 HJAARN COC(=O)c1ccc(CSc2nnc(C(C)C)c3cnn(-c4ccccc4)c32)o1 ZINC000023137592 559019136 /nfs/dbraw/zinc/01/91/36/559019136.db2.gz XCXVDLATSKKQQE-UHFFFAOYSA-N 0 0 408.483 4.611 50 0 HJAARN CC(C)(CO)Nc1nc2ccc(Br)cc2c(-c2ccccc2Cl)n1 ZINC000023175951 559026424 /nfs/dbraw/zinc/02/64/24/559026424.db2.gz NRRZVNMSACLXJP-UHFFFAOYSA-N 0 0 406.711 4.896 50 0 HJAARN CCCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccccc1 ZINC000004731417 559032294 /nfs/dbraw/zinc/03/22/94/559032294.db2.gz DPKNQAXWLMHCQO-AREMUKBSSA-N 0 0 423.516 4.906 50 0 HJAARN CCc1ccccc1NC(=O)c1cc(C)c2c(c1)-c1ccccc1S(=O)(=O)N2C ZINC000033271980 559033301 /nfs/dbraw/zinc/03/33/01/559033301.db2.gz FHRPMVHABJRWOU-UHFFFAOYSA-N 0 0 406.507 4.615 50 0 HJAARN Cc1cccc(C)c1NC(=O)c1cc(C)c2c(c1)-c1ccccc1S(=O)(=O)N2C ZINC000033271977 559033304 /nfs/dbraw/zinc/03/33/04/559033304.db2.gz MRNNKFQFXNWXJR-UHFFFAOYSA-N 0 0 406.507 4.670 50 0 HJAARN Cc1oc2cc(C)c(NS(=O)(=O)c3ccc(C)cc3)cc2c1C(=O)OC(C)C ZINC000004735823 559034987 /nfs/dbraw/zinc/03/49/87/559034987.db2.gz HMBOCZCWYDTQLR-UHFFFAOYSA-N 0 0 401.484 4.724 50 0 HJAARN Cc1cccc(-c2nc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)no2)c1 ZINC000033276505 559036194 /nfs/dbraw/zinc/03/61/94/559036194.db2.gz BUSLBRQILRCGES-UHFFFAOYSA-N 0 0 409.442 4.652 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)N1CCC(n2cnc3c(C)cccc3c2=O)CC1 ZINC000033278446 559041776 /nfs/dbraw/zinc/04/17/76/559041776.db2.gz XOEPUFZTOVSEGK-UHFFFAOYSA-N 0 0 410.905 4.536 50 0 HJAARN O=c1[nH]c(SCc2ccccc2Cl)nc2c1CN(Cc1ccc(F)cc1)CC2 ZINC000033287251 559043854 /nfs/dbraw/zinc/04/38/54/559043854.db2.gz JEZNZKDQYGTHJL-UHFFFAOYSA-N 0 0 415.921 4.825 50 0 HJAARN COc1ccc(CN2CCc3nc(SCc4cc(C)ccc4C)[nH]c(=O)c3C2)cc1 ZINC000033287256 559043906 /nfs/dbraw/zinc/04/39/06/559043906.db2.gz VPHRNVKSFCIUHR-UHFFFAOYSA-N 0 0 421.566 4.658 50 0 HJAARN Cc1cccc(C(=O)Nc2c3ccccc3[nH]c2C(=O)NCc2ccc(F)cc2)c1 ZINC000033287837 559044273 /nfs/dbraw/zinc/04/42/73/559044273.db2.gz VCXMNNKEXFDGLP-UHFFFAOYSA-N 0 0 401.441 4.798 50 0 HJAARN Cc1ccc(Sc2nccnc2N2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000033288517 559044341 /nfs/dbraw/zinc/04/43/41/559044341.db2.gz TXCMVZDIWVVURU-GOSISDBHSA-N 0 0 404.539 4.791 50 0 HJAARN Cc1nc(-c2cccc(-c3noc(C(=O)NCc4ccccc4Cl)n3)c2)cs1 ZINC000033283679 559045296 /nfs/dbraw/zinc/04/52/96/559045296.db2.gz UCNWWJIAFNLRDP-UHFFFAOYSA-N 0 0 410.886 4.752 50 0 HJAARN O=S(=O)(c1cc(-c2ccno2)cs1)N(CCc1ccccc1)Cc1ccccc1 ZINC000033290234 559047189 /nfs/dbraw/zinc/04/71/89/559047189.db2.gz HURPWCFVSJPJIJ-UHFFFAOYSA-N 0 0 424.547 4.837 50 0 HJAARN Cc1sc(-c2nc(C(C)C)cs2)cc1S(=O)(=O)NCc1ccc(F)cc1 ZINC000033290146 559047195 /nfs/dbraw/zinc/04/71/95/559047195.db2.gz CNNYKRQZAYEMJU-UHFFFAOYSA-N 0 0 410.561 4.921 50 0 HJAARN COc1ccc(-c2nnc(COc3cccc(NC(=O)/C=C/c4ccco4)c3)o2)cc1 ZINC000033307383 559052107 /nfs/dbraw/zinc/05/21/07/559052107.db2.gz RZCGVAUYNHGAPP-VAWYXSNFSA-N 0 0 417.421 4.569 50 0 HJAARN CSc1ncccc1C(=O)Nc1ccc(OCc2nnc(-c3ccccc3)o2)cc1 ZINC000033308220 559052337 /nfs/dbraw/zinc/05/23/37/559052337.db2.gz JKMVGCIJCPSRKE-UHFFFAOYSA-N 0 0 418.478 4.685 50 0 HJAARN O=C(Nc1ccc(OCc2nnc(-c3ccc(Cl)cc3)o2)cc1)c1cccnc1 ZINC000033308380 559052478 /nfs/dbraw/zinc/05/24/78/559052478.db2.gz HJEANDHQKQPYTM-UHFFFAOYSA-N 0 0 406.829 4.616 50 0 HJAARN CCc1ccc([C@H](C)NC(=O)c2cccc(-c3nccnc3N3CCCC3)c2)cc1 ZINC000033313011 559055048 /nfs/dbraw/zinc/05/50/48/559055048.db2.gz RFSONTUBEWHCAE-SFHVURJKSA-N 0 0 400.526 4.797 50 0 HJAARN COc1ccc(NC(=O)COc2ccccc2-c2noc(-c3ccc(C)cc3)n2)cc1 ZINC000033325045 559058622 /nfs/dbraw/zinc/05/86/22/559058622.db2.gz LGLZSGIPYHGOLN-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN O=C(Nc1cccc(NC(=O)c2cc(F)ccc2Br)c1)c1ccco1 ZINC000011361324 559061565 /nfs/dbraw/zinc/06/15/65/559061565.db2.gz GKVDTGBWXHAFQO-UHFFFAOYSA-N 0 0 403.207 4.686 50 0 HJAARN COc1ccc(-c2noc([C@H]3CCCN(C(=O)Nc4cccc(C)c4C)C3)n2)cc1 ZINC000004780582 559061802 /nfs/dbraw/zinc/06/18/02/559061802.db2.gz CKOHZRWTPXZSRN-SFHVURJKSA-N 0 0 406.486 4.774 50 0 HJAARN Cc1ccccc1CN1c2ccc(Cl)cc2[C@](O)(CC(=O)c2ccccc2)C1=O ZINC000004784321 559063074 /nfs/dbraw/zinc/06/30/74/559063074.db2.gz OMBVPNSTMBFDQL-XMMPIXPASA-N 0 0 405.881 4.656 50 0 HJAARN CC(C)c1ccc(OCC(=O)NC2C3CC4CC(C3)CC2C4)c(Br)c1 ZINC000004784939 559063591 /nfs/dbraw/zinc/06/35/91/559063591.db2.gz USTSMHKAEWYLEC-UHFFFAOYSA-N 0 0 406.364 4.892 50 0 HJAARN COc1ccc(-c2nc3cc(C)ccn3c2NC(=O)CCc2ccccc2)cc1OC ZINC000004791120 559065666 /nfs/dbraw/zinc/06/56/66/559065666.db2.gz FZPQEFQBEOZMAA-UHFFFAOYSA-N 0 0 415.493 4.898 50 0 HJAARN Cc1ccc(SCC(=O)Nc2ccnn2Cc2ccc(Br)cc2)cc1 ZINC000011432834 559076137 /nfs/dbraw/zinc/07/61/37/559076137.db2.gz TXRJWHWHSXVRBK-UHFFFAOYSA-N 0 0 416.344 4.733 50 0 HJAARN CC[C@@H](C)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)c(N)cc2OC)cc1 ZINC000011458258 559077106 /nfs/dbraw/zinc/07/71/06/559077106.db2.gz WOAPZPMRQAXNGW-CHWSQXEVSA-N 0 0 404.894 4.628 50 0 HJAARN CCOC(=O)[C@](NC(=O)Nc1ccccc1Cl)(c1ccc(F)cc1)C(F)(F)F ZINC000016393963 559077251 /nfs/dbraw/zinc/07/72/51/559077251.db2.gz DYQGAITWLVJFLG-QGZVFWFLSA-N 0 0 418.774 4.622 50 0 HJAARN O=C(Nc1ccc(OCc2ccccc2)cc1)N1CCN(Cc2ccccc2)CC1 ZINC000096318728 559109920 /nfs/dbraw/zinc/10/99/20/559109920.db2.gz KPFVKWVAEJHBCC-UHFFFAOYSA-N 0 0 401.510 4.615 50 0 HJAARN CCN(CC)c1ccc(C[C@H]2c3ccccc3CN3c4ccccc4C(=O)N[C@@H]23)cc1 ZINC000011582399 559112406 /nfs/dbraw/zinc/11/24/06/559112406.db2.gz MHYKHABQBMXVEA-AZGAKELHSA-N 0 0 411.549 4.949 50 0 HJAARN COc1cc(OC)c(NC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)cc1Cl ZINC000011604346 559113265 /nfs/dbraw/zinc/11/32/65/559113265.db2.gz LETGWGCHWJSFJM-UHFFFAOYSA-N 0 0 415.873 4.652 50 0 HJAARN CCCOc1cc(Nc2ccc(NC(=O)c3ccc(OCC)cc3)cc2)nc(C)n1 ZINC000011613260 559113912 /nfs/dbraw/zinc/11/39/12/559113912.db2.gz DXWOVEPOZFWPOE-UHFFFAOYSA-N 0 0 406.486 4.968 50 0 HJAARN COc1ccc([C@@H]2CCCN2C(=O)CCC(=O)c2ccc3c(c2)CCC3)c(OC)c1 ZINC000023313138 559115975 /nfs/dbraw/zinc/11/59/75/559115975.db2.gz HBLZQWZIFVRRSE-QFIPXVFZSA-N 0 0 407.510 4.519 50 0 HJAARN COC(=O)[C@H](Cc1cccc(C)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000097756874 559121019 /nfs/dbraw/zinc/12/10/19/559121019.db2.gz VIFMIFWMZHBJMY-DEOSSOPVSA-N 0 0 415.489 4.618 50 0 HJAARN CCN1c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000097944093 559124585 /nfs/dbraw/zinc/12/45/85/559124585.db2.gz NBDUCGYFFAKBGL-IBGZPJMESA-N 0 0 417.431 4.750 50 0 HJAARN Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)c3cc(F)ccc3C)CC2)cc1 ZINC000023318773 559125710 /nfs/dbraw/zinc/12/57/10/559125710.db2.gz JICISFNKOHSOKT-VWLOTQADSA-N 0 0 402.513 4.990 50 0 HJAARN CCOC(=O)c1sc(-c2ccc(-c3nc(C)c(C(=O)OCC)s3)cc2)nc1C ZINC000098073402 559126705 /nfs/dbraw/zinc/12/67/05/559126705.db2.gz FURBOTUKZBHCTR-UHFFFAOYSA-N 0 0 416.524 4.904 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)Cn1cccc1-c1nc(-c2ccccc2)no1 ZINC000098211290 559127217 /nfs/dbraw/zinc/12/72/17/559127217.db2.gz BLHDQKAYWWNHIR-UHFFFAOYSA-N 0 0 408.845 4.506 50 0 HJAARN Cc1ccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000100606835 559136945 /nfs/dbraw/zinc/13/69/45/559136945.db2.gz KCHGDRJDKWKBQG-ZCNNSNEGSA-N 0 0 424.909 4.761 50 0 HJAARN C[C@@H]1CC[C@H]2C(=O)N(c3ccccc3OCC(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 ZINC000100913698 559141673 /nfs/dbraw/zinc/14/16/73/559141673.db2.gz BLEMRCDJRLGILC-ZTFGCOKTSA-N 0 0 411.885 4.527 50 0 HJAARN CCOc1ccccc1CNC(=O)c1c(C)noc1-c1cccc(C(F)(F)F)c1 ZINC000023324023 559147898 /nfs/dbraw/zinc/14/78/98/559147898.db2.gz ZOURPAXLGDRLBG-UHFFFAOYSA-N 0 0 404.388 4.998 50 0 HJAARN CN1c2ccccc2S/C(=C/C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C1=O ZINC000023324385 559149685 /nfs/dbraw/zinc/14/96/85/559149685.db2.gz RLINXBLOBLRLDU-UZXYXVAJSA-N 0 0 414.530 4.739 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccc(C)cc2)OC3=O)cc1 ZINC000011666583 559149783 /nfs/dbraw/zinc/14/97/83/559149783.db2.gz YMARHKLYRZZHKK-QHCPKHFHSA-N 0 0 414.461 4.660 50 0 HJAARN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(Cl)cn3)C2=O)cc1C ZINC000102323294 559149842 /nfs/dbraw/zinc/14/98/42/559149842.db2.gz QFNDFTAKFXSTMX-MOSHPQCFSA-N 0 0 403.869 4.992 50 0 HJAARN COc1cccc(C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1 ZINC000023325248 559150684 /nfs/dbraw/zinc/15/06/84/559150684.db2.gz DJUFCQRDXNQQRT-DEOSSOPVSA-N 0 0 420.940 4.896 50 0 HJAARN Cc1nn(CC(C)C)c(Cl)c1C(=O)NCc1ccc(COCC(F)(F)F)cc1 ZINC000014162412 559154296 /nfs/dbraw/zinc/15/42/96/559154296.db2.gz NCQUFIWUAYSIPU-UHFFFAOYSA-N 0 0 417.859 4.510 50 0 HJAARN O=C(/C=C/c1ccc(Br)s1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000014171536 559154943 /nfs/dbraw/zinc/15/49/43/559154943.db2.gz ZFVFCEFVHUNMQP-SBJJXXPASA-N 0 0 420.328 4.659 50 0 HJAARN O=C(Cn1c2ccccc2nc1SCCOc1ccccc1)N1CCCCCC1 ZINC000011667192 559156004 /nfs/dbraw/zinc/15/60/04/559156004.db2.gz DOHOIUYMVPWIAU-UHFFFAOYSA-N 0 0 409.555 4.610 50 0 HJAARN O=C(COc1ccc(Br)cc1)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000014200549 559156621 /nfs/dbraw/zinc/15/66/21/559156621.db2.gz NZCZIKDEZSHBJU-UHFFFAOYSA-N 0 0 410.267 4.963 50 0 HJAARN NC(=O)c1c(NC(=O)/C=C\c2c(F)cccc2Cl)sc2c1CCCCCC2 ZINC000033400898 559163861 /nfs/dbraw/zinc/16/38/61/559163861.db2.gz WKPXXRONOOXFBG-KHPPLWFESA-N 0 0 406.910 4.950 50 0 HJAARN O=C(CCCc1ccccc1)N1NC(C(F)(F)F)=C[C@]1(O)c1ccc(Cl)cc1 ZINC000004832226 559163947 /nfs/dbraw/zinc/16/39/47/559163947.db2.gz KPMIBWVQJRFUJA-IBGZPJMESA-N 0 0 410.823 4.659 50 0 HJAARN CC(C)OCCNC(=O)c1cncn1-c1cccc(-c2ccccc2C(F)(F)F)c1 ZINC000023332016 559170644 /nfs/dbraw/zinc/17/06/44/559170644.db2.gz APIAXEAMTCCXQR-UHFFFAOYSA-N 0 0 417.431 4.713 50 0 HJAARN COc1ccc(-c2nc3nc(C)cc(Nc4ccc(Br)cc4)n3n2)cc1 ZINC000014610423 559170930 /nfs/dbraw/zinc/17/09/30/559170930.db2.gz KOPCZXZWWASCNN-UHFFFAOYSA-N 0 0 410.275 4.614 50 0 HJAARN CCCCNC(=O)Cc1csc(-n2nc(C)c(Cc3ccccc3Cl)c2C)n1 ZINC000014609347 559170936 /nfs/dbraw/zinc/17/09/36/559170936.db2.gz UVMSFWXHNOYJJT-UHFFFAOYSA-N 0 0 416.978 4.649 50 0 HJAARN Cc1occc1-c1nnc(SCC(=O)N[C@H]2CCCC[C@@H]2C)n1-c1ccccc1 ZINC000004840891 559171258 /nfs/dbraw/zinc/17/12/58/559171258.db2.gz YQJXPODHAMAEJY-KXBFYZLASA-N 0 0 410.543 4.623 50 0 HJAARN O=C(CSc1ncnc2cc(-c3ccc(F)cc3)sc21)NC(=O)c1ccccc1 ZINC000014676216 559172012 /nfs/dbraw/zinc/17/20/12/559172012.db2.gz BYLVKEIPJZIBMP-UHFFFAOYSA-N 0 0 423.494 4.546 50 0 HJAARN CCCCC(=O)Nc1cccc(-c2cc(C(=O)OCC)nn2-c2ccccc2F)c1 ZINC000023334359 559172605 /nfs/dbraw/zinc/17/26/05/559172605.db2.gz QYVOPQUFOROALI-UHFFFAOYSA-N 0 0 409.461 4.984 50 0 HJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)C(C)(C)C)c2)n(-c2cccc(F)c2)n1 ZINC000023334909 559172781 /nfs/dbraw/zinc/17/27/81/559172781.db2.gz VENKKKSNMAMFGI-UHFFFAOYSA-N 0 0 409.461 4.840 50 0 HJAARN CCOC(=O)c1cc(-c2ccccc2C)n(-c2ccc(C(=O)N[C@H](C)C(C)C)cc2)n1 ZINC000023335124 559172790 /nfs/dbraw/zinc/17/27/90/559172790.db2.gz TUGKSIZYZBCZOU-GOSISDBHSA-N 0 0 419.525 4.799 50 0 HJAARN O=C(NCc1cccc(F)c1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000023453005 559175835 /nfs/dbraw/zinc/17/58/35/559175835.db2.gz PKHJATMTDJREFG-UHFFFAOYSA-N 0 0 400.409 4.700 50 0 HJAARN C[C@@H](Sc1ncnc2c1cnn2C)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000011685539 559177153 /nfs/dbraw/zinc/17/71/53/559177153.db2.gz SASURYOTGZCARP-CQSZACIVSA-N 0 0 421.551 4.634 50 0 HJAARN Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)Cc3ccccc3Cl)C2)n1 ZINC000220807840 559177405 /nfs/dbraw/zinc/17/74/05/559177405.db2.gz PIAOATMEDCCWKO-QGZVFWFLSA-N 0 0 409.917 4.722 50 0 HJAARN Cc1c(C(=O)Nc2ccc(C)cc2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000011689940 559177976 /nfs/dbraw/zinc/17/79/76/559177976.db2.gz DSXKUUXLWFNSDR-UHFFFAOYSA-N 0 0 409.449 4.945 50 0 HJAARN CCCCOc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3Cl)[nH]n2)cc1 ZINC000072331564 559178178 /nfs/dbraw/zinc/17/81/78/559178178.db2.gz BYQZYQBGQYUIOG-UHFFFAOYSA-N 0 0 401.869 4.978 50 0 HJAARN COc1ccc(NC(=O)Cn2cc(-c3nnc(-c4ccco4)o3)c3ccccc32)cc1 ZINC000011695963 559188797 /nfs/dbraw/zinc/18/87/97/559188797.db2.gz JAOAHQSCVDDWRQ-UHFFFAOYSA-N 0 0 414.421 4.599 50 0 HJAARN CCCn1c(SCC(=O)Nc2c(C)cccc2C)nc2c3ccccc3oc2c1=O ZINC000004852712 559191487 /nfs/dbraw/zinc/19/14/87/559191487.db2.gz SSRXMEYTLZVLLA-UHFFFAOYSA-N 0 0 421.522 4.900 50 0 HJAARN CCCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2c3ccccc3oc2c1=O ZINC000004852706 559191504 /nfs/dbraw/zinc/19/15/04/559191504.db2.gz CMZAORPOBSAKNJ-UHFFFAOYSA-N 0 0 421.522 4.900 50 0 HJAARN CCCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nc2c3ccccc3oc2c1=O ZINC000004852704 559191509 /nfs/dbraw/zinc/19/15/09/559191509.db2.gz YGGHVWXZQYJBIK-UHFFFAOYSA-N 0 0 421.522 4.900 50 0 HJAARN O=C(NCc1ccccc1)N1CCn2cccc2[C@@H]1c1ccc(Br)cc1 ZINC000004854394 559192291 /nfs/dbraw/zinc/19/22/91/559192291.db2.gz FIDNMPZUGJMUJS-FQEVSTJZSA-N 0 0 410.315 4.565 50 0 HJAARN O=C1C[C@@H](SCc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 ZINC000100311718 559193796 /nfs/dbraw/zinc/19/37/96/559193796.db2.gz HONFGKFGALOECJ-OAHLLOKOSA-N 0 0 410.720 4.668 50 0 HJAARN COc1ccc(N2C(=O)C[C@@H](c3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1 ZINC000100312726 559193912 /nfs/dbraw/zinc/19/39/12/559193912.db2.gz XIUZREBTINNAEH-QFIPXVFZSA-N 0 0 410.473 4.745 50 0 biogenic HJAARN COc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4C)c3C)no2)cc1 ZINC000004880763 559196427 /nfs/dbraw/zinc/19/64/27/559196427.db2.gz MTKWQXBEHOKACO-UHFFFAOYSA-N 0 0 416.481 4.773 50 0 HJAARN CC(C)(C)c1ccc(Cn2c3ccsc3c(=O)n(-c3ccc(F)cc3)c2=O)cc1 ZINC000004882349 559197211 /nfs/dbraw/zinc/19/72/11/559197211.db2.gz CHGIQXBISGSAOB-UHFFFAOYSA-N 0 0 408.498 4.699 50 0 HJAARN COc1cc(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cc(OC)c1OC ZINC000004893278 559198755 /nfs/dbraw/zinc/19/87/55/559198755.db2.gz YCPSAYLVHJRELS-UHFFFAOYSA-N 0 0 402.447 4.536 50 0 HJAARN COc1ccc(Nc2cc(C(=O)NCc3cccs3)c3ccccc3n2)c(OC)c1 ZINC000004910095 559201034 /nfs/dbraw/zinc/20/10/34/559201034.db2.gz YBDLXFXQEVTITC-UHFFFAOYSA-N 0 0 419.506 4.987 50 0 HJAARN COc1ccc(Nc2cc(C(=O)NCCCOC(C)C)c3ccccc3n2)cc1OC ZINC000004909629 559201505 /nfs/dbraw/zinc/20/15/05/559201505.db2.gz HDSVYRGINMOXTD-UHFFFAOYSA-N 0 0 423.513 4.541 50 0 HJAARN Cc1ccccc1OCCCn1c2ccccc2nc1[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000004910885 559202613 /nfs/dbraw/zinc/20/26/13/559202613.db2.gz LBOWMHHZFNIGDE-IBGZPJMESA-N 0 0 405.542 4.928 50 0 HJAARN COc1cc(OC)c(N[C@H]2c3ccccc3C(=O)N2c2ccc(C)cn2)cc1Cl ZINC000004917097 559204342 /nfs/dbraw/zinc/20/43/42/559204342.db2.gz BBMOBQFZSAXDGY-OAQYLSRUSA-N 0 0 409.873 4.832 50 0 HJAARN Cc1ccc(NC(=O)CCc2nc(-c3ccccc3F)no2)c(Br)c1 ZINC000004921241 559206854 /nfs/dbraw/zinc/20/68/54/559206854.db2.gz CRUPWXKHEDTUIP-UHFFFAOYSA-N 0 0 404.239 4.518 50 0 HJAARN O=C(CSc1nc(-c2cccc(F)c2)[nH]c1-c1ccccc1)NCc1ccco1 ZINC000004927692 559208097 /nfs/dbraw/zinc/20/80/97/559208097.db2.gz PXJSRQVKNOOJCL-UHFFFAOYSA-N 0 0 407.470 4.884 50 0 HJAARN CC[C@H](C)N(CCC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)C(=O)C1CCC1 ZINC000004928064 559208387 /nfs/dbraw/zinc/20/83/87/559208387.db2.gz DUPYJWOMGKCYKR-ZDUSSCGKSA-N 0 0 420.966 4.614 50 0 HJAARN O=C(NCC1(c2ccccc2)CCCC1)c1cc2c(s1)c1ccccc1[nH]c2=O ZINC000004929510 559208766 /nfs/dbraw/zinc/20/87/66/559208766.db2.gz LIHGWSLEJPZXGO-UHFFFAOYSA-N 0 0 402.519 4.985 50 0 HJAARN CCn1c2ccccc2c2sc(C(=O)N(C)c3cc(C)ccc3OC)cc2c1=O ZINC000004939141 559211667 /nfs/dbraw/zinc/21/16/67/559211667.db2.gz YBUMKZYQILKCHX-UHFFFAOYSA-N 0 0 406.507 4.830 50 0 HJAARN COc1cccc(Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(F)cc(F)c32)c1 ZINC000004937192 559212111 /nfs/dbraw/zinc/21/21/11/559212111.db2.gz RFIMLHUORDPTRQ-UHFFFAOYSA-N 0 0 405.400 4.568 50 0 HJAARN Cc1ccc2oc(=O)c3cc(C(=O)Nc4cc(-c5ccccc5)[nH]n4)sc3c2c1 ZINC000004939756 559212375 /nfs/dbraw/zinc/21/23/75/559212375.db2.gz DGGGFYDXZDLDJJ-UHFFFAOYSA-N 0 0 401.447 4.959 50 0 HJAARN COc1cc(CCO)ccc1NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000408516893 559212921 /nfs/dbraw/zinc/21/29/21/559212921.db2.gz RKANXVWCUBQSFC-UHFFFAOYSA-N 0 0 417.484 4.834 50 0 HJAARN CCCN1C(=O)CS[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1 ZINC000004950344 559214945 /nfs/dbraw/zinc/21/49/45/559214945.db2.gz VFEWHDFJBHMHHC-HSZRJFAPSA-N 0 0 423.538 4.541 50 0 HJAARN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(O)c4)cc3N2)cc1 ZINC000004953119 559215971 /nfs/dbraw/zinc/21/59/71/559215971.db2.gz UFTPLNZWWLUMBV-SJLPKXTDSA-N 0 0 416.403 4.810 50 0 HJAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(O)c4)cc3N2)cc1 ZINC000004953121 559215994 /nfs/dbraw/zinc/21/59/94/559215994.db2.gz UFTPLNZWWLUMBV-WMZOPIPTSA-N 0 0 416.403 4.810 50 0 HJAARN C[C@]12C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]1ON(c1ccccc1)[C@H]2c1ccccc1 ZINC000004957688 559216188 /nfs/dbraw/zinc/21/61/88/559216188.db2.gz JMURSCATIIKWMK-YZUZCNPQSA-N 0 0 418.880 4.781 50 0 HJAARN COc1cc2nc(SCc3ccccc3Cl)n3nc(C)nc3c2cc1OC ZINC000005005743 559227147 /nfs/dbraw/zinc/22/71/47/559227147.db2.gz MTPGXRIKTJHAMT-UHFFFAOYSA-N 0 0 400.891 4.549 50 0 HJAARN COc1ccc(NC(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)cc1OC ZINC000005022502 559229789 /nfs/dbraw/zinc/22/97/89/559229789.db2.gz CSERXDDBFNHGMP-UHFFFAOYSA-N 0 0 411.458 4.710 50 0 HJAARN COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2)c1 ZINC000005035344 559233045 /nfs/dbraw/zinc/23/30/45/559233045.db2.gz GDUVBFNOKPZHIY-UHFFFAOYSA-N 0 0 416.433 4.711 50 0 HJAARN COc1ccc(-c2nc(CSCC(=O)NC3CCCCCC3)c(C)o2)cc1OC ZINC000005057149 559237826 /nfs/dbraw/zinc/23/78/26/559237826.db2.gz FLNNZXLGUIOMNB-UHFFFAOYSA-N 0 0 418.559 4.739 50 0 HJAARN Cc1cc(C(=O)COC(=O)c2ccc3ccccc3n2)c(C)n1Cc1cccs1 ZINC000005079653 559242109 /nfs/dbraw/zinc/24/21/09/559242109.db2.gz RFEAYOWXCNSUQJ-UHFFFAOYSA-N 0 0 404.491 4.803 50 0 HJAARN C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000005079512 559242142 /nfs/dbraw/zinc/24/21/42/559242142.db2.gz PMXYVQRBOYHCMM-HZPDHXFCSA-N 0 0 413.901 4.517 50 0 HJAARN CCOc1ccc2nc(N3CCC(C(=O)N[C@@H]4CCCC[C@H]4C)CC3)sc2c1 ZINC000005086129 559242915 /nfs/dbraw/zinc/24/29/15/559242915.db2.gz AVCPPLLNSKUJMQ-CRAIPNDOSA-N 0 0 401.576 4.606 50 0 HJAARN CCOc1ccc2nc(N3CCC(C(=O)NCc4ccc(C)cc4)CC3)sc2c1 ZINC000005085973 559242925 /nfs/dbraw/zinc/24/29/25/559242925.db2.gz RLDAQTIZUOJOKU-UHFFFAOYSA-N 0 0 409.555 4.536 50 0 HJAARN CC[C@H](C)COC(=O)c1c(N)n(-c2ccc(C)c(C)c2)c2nc3ccccc3nc12 ZINC000005100296 559244922 /nfs/dbraw/zinc/24/49/22/559244922.db2.gz NNLQGFNTLVLQGC-AWEZNQCLSA-N 0 0 402.498 4.976 50 0 HJAARN COc1cccc(NC(=O)N2CCC(c3nc(-c4ccc(Cl)cc4)no3)CC2)c1 ZINC000005096753 559245111 /nfs/dbraw/zinc/24/51/11/559245111.db2.gz SALUEILUPXBSEO-UHFFFAOYSA-N 0 0 412.877 4.810 50 0 HJAARN CCOc1ccc2nc(N3CCC[C@H](C(=O)NCc4ccc(C)cc4)C3)sc2c1 ZINC000005105569 559245782 /nfs/dbraw/zinc/24/57/82/559245782.db2.gz VKJFJZOAHWSTSK-SFHVURJKSA-N 0 0 409.555 4.536 50 0 HJAARN CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCCCc4ccccc4)C3)sc2c1 ZINC000005105598 559245796 /nfs/dbraw/zinc/24/57/96/559245796.db2.gz UVNRYUGAWMWLQS-LJQANCHMSA-N 0 0 423.582 4.660 50 0 HJAARN Cc1nc(-c2ccc(F)cc2)sc1CCNS(=O)(=O)c1c(C)cc(C)cc1C ZINC000005108299 559246329 /nfs/dbraw/zinc/24/63/29/559246329.db2.gz MEYUBPVQXILTLT-UHFFFAOYSA-N 0 0 418.559 4.704 50 0 HJAARN CC[C@H](C)[C@H](C(=O)N[C@@H]1CCCc2c3ccccc3[nH]c21)N1Cc2ccccc2C1=O ZINC000409414541 559250013 /nfs/dbraw/zinc/25/00/13/559250013.db2.gz LZINVGUQEGXLQY-XTZPKPCCSA-N 0 0 415.537 4.732 50 0 HJAARN Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)COc1ccc(Cl)cc1 ZINC000005136972 559250016 /nfs/dbraw/zinc/25/00/16/559250016.db2.gz NPHGZSCJNAEAGA-UHFFFAOYSA-N 0 0 404.894 4.649 50 0 HJAARN CC(C)Oc1ccccc1/C=C/C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000005140317 559251470 /nfs/dbraw/zinc/25/14/70/559251470.db2.gz GZBPEMFGHWSOTM-SDNWHVSQSA-N 0 0 417.509 4.562 50 0 HJAARN CSc1cccc(NC(=O)CCc2c(C)nc3c4c(nn3c2C)nc(C)cc4C)c1 ZINC000005151038 559253799 /nfs/dbraw/zinc/25/37/99/559253799.db2.gz UNFDGCOAUOHFPQ-UHFFFAOYSA-N 0 0 419.554 4.804 50 0 HJAARN CCCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@H](c1ccc(C)cc1)N(C(=O)CC)CC2 ZINC000037602406 559255675 /nfs/dbraw/zinc/25/56/75/559255675.db2.gz IBBOWLCBDPSULN-ZCYQVOJMSA-N 0 0 422.569 4.563 50 0 HJAARN Cc1cc(C)cc(-n2c(SCC(=O)c3ccccc3)nc3c(c2=O)S[C@H](C)C3)c1 ZINC000011726674 559255795 /nfs/dbraw/zinc/25/57/95/559255795.db2.gz ZFVMFVRNZLKBPW-MRXNPFEDSA-N 0 0 422.575 4.861 50 0 HJAARN COc1ccc(-c2csc(-c3nnn(-c4cccc(C(F)(F)F)c4)c3N)n2)cc1 ZINC000038486917 559255806 /nfs/dbraw/zinc/25/58/06/559255806.db2.gz DLGXFXPXUKNNTK-UHFFFAOYSA-N 0 0 417.416 4.667 50 0 HJAARN O=c1c2cn[nH]c2nc(SCc2ccccc2Cl)n1-c1ccccc1Cl ZINC000005156369 559258828 /nfs/dbraw/zinc/25/88/28/559258828.db2.gz TXCWLTFIJFNFMC-UHFFFAOYSA-N 0 0 403.294 4.708 50 0 HJAARN Cc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)cc1 ZINC000005156389 559258871 /nfs/dbraw/zinc/25/88/71/559258871.db2.gz KQNRBRFHDRLEGL-FQEVSTJZSA-N 0 0 402.837 4.900 50 0 HJAARN Cc1nc2scc(-c3cccc(NC(=O)Nc4ccc(F)cc4)c3)n2c(=O)c1C ZINC000011773408 559258961 /nfs/dbraw/zinc/25/89/61/559258961.db2.gz GQYMDXINRCRXLU-UHFFFAOYSA-N 0 0 408.458 4.823 50 0 HJAARN Cc1ccc(NC(=O)CCc2csc(NC(=O)c3ccc(F)cc3)n2)cc1F ZINC000011835138 559261070 /nfs/dbraw/zinc/26/10/70/559261070.db2.gz BHLRXPSXRULJLD-UHFFFAOYSA-N 0 0 401.438 4.553 50 0 HJAARN O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)NC1Cc2ccccc2C1 ZINC000011865904 559264004 /nfs/dbraw/zinc/26/40/04/559264004.db2.gz OTWQCCTXWDIODB-UHFFFAOYSA-N 0 0 403.334 4.943 50 0 HJAARN CCCOc1c(Cl)cc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1OC ZINC000011916336 559267281 /nfs/dbraw/zinc/26/72/81/559267281.db2.gz NVEHOQJNRYLCDU-UHFFFAOYSA-N 0 0 402.878 4.517 50 0 HJAARN COC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc(C)c(F)c3)on1)CCCC2 ZINC000011916915 559268307 /nfs/dbraw/zinc/26/83/07/559268307.db2.gz USESZVMTSZDIQE-UHFFFAOYSA-N 0 0 414.458 4.768 50 0 HJAARN COc1ccc(-c2cnnc(N3CCC[C@H]3c3nc4cc(Cl)ccc4[nH]3)n2)cc1F ZINC000011936141 559268821 /nfs/dbraw/zinc/26/88/21/559268821.db2.gz VRTVFJHWEIUJGR-SFHVURJKSA-N 0 0 424.867 4.558 50 0 HJAARN O=C1C(Cl)=C(Nc2cc(Cl)ccc2O)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000011990255 559269969 /nfs/dbraw/zinc/26/99/69/559269969.db2.gz MNHKTTYXMSKNEZ-UHFFFAOYSA-N 0 0 417.170 4.500 50 0 HJAARN CC(C)[C@@H](NC(=O)c1cc(-c2ccccn2)n[nH]1)c1nc2ccccc2n1C(C)C ZINC000252494041 559277654 /nfs/dbraw/zinc/27/76/54/559277654.db2.gz NJIMMZHVLHAALC-OAQYLSRUSA-N 0 0 402.502 4.529 50 0 HJAARN COc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)c(OC)c4)=NN32)c1 ZINC000005164965 559277837 /nfs/dbraw/zinc/27/78/37/559277837.db2.gz WMMGYLINIRACHC-OFVILXPXSA-N 0 0 416.477 4.955 50 0 HJAARN COc1cccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1OC ZINC000005169333 559287325 /nfs/dbraw/zinc/28/73/25/559287325.db2.gz YLSQGEGFZOTWEP-UHFFFAOYSA-N 0 0 406.463 4.938 50 0 HJAARN COc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000000851017 559289162 /nfs/dbraw/zinc/28/91/62/559289162.db2.gz PAOBHGSOEVNEDP-PXLXIMEGSA-N 0 0 412.445 4.851 50 0 HJAARN CCOc1cccc2sc(N3CCN(C(=O)c4ccc5c(c4)CCCC5)CC3)nc21 ZINC000005181840 559289856 /nfs/dbraw/zinc/28/98/56/559289856.db2.gz USNRMOKLDKPYDH-UHFFFAOYSA-N 0 0 421.566 4.536 50 0 HJAARN CC(C)(C)c1ccc(C(=O)N2CCN(c3nc4c(cc(F)cc4F)s3)CC2)cc1 ZINC000005182104 559289870 /nfs/dbraw/zinc/28/98/70/559289870.db2.gz HEXKTWOFOZBRHY-UHFFFAOYSA-N 0 0 415.509 4.834 50 0 HJAARN CCOc1ccccc1NC(=O)Cn1c(COc2ccccc2)nc2ccccc21 ZINC000005185785 559290787 /nfs/dbraw/zinc/29/07/87/559290787.db2.gz LHTPZNXDWIWFJB-UHFFFAOYSA-N 0 0 401.466 4.653 50 0 HJAARN O=C(N[C@H]1CC(=O)N(c2cccc(F)c2)C1)NC1CCCCCCCCCCC1 ZINC000005193699 559291632 /nfs/dbraw/zinc/29/16/32/559291632.db2.gz RTLWIWDFRRTNPH-FQEVSTJZSA-N 0 0 403.542 4.904 50 0 HJAARN COc1ccc(-c2nc(-n3cccc3)sc2C(=O)Nc2nnc(C3CC3)s2)cc1 ZINC000061719214 559293491 /nfs/dbraw/zinc/29/34/91/559293491.db2.gz MLWIMKFQTWRQSC-UHFFFAOYSA-N 0 0 423.523 4.591 50 0 HJAARN Cc1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)Oc2ccccc2)c1 ZINC000001057901 560180252 /nfs/dbraw/zinc/18/02/52/560180252.db2.gz CKKROKMITKMMMI-QHCPKHFHSA-N 0 0 413.477 4.815 50 0 biogenic,in-vitro 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COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)NCc2ccccc2)cc1 ZINC000001175304 560571718 /nfs/dbraw/zinc/57/17/18/560571718.db2.gz DFMZNKBYCPPVRY-SAPNQHFASA-N 0 0 409.489 4.878 50 0 HJAARN O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000005394781 560581098 /nfs/dbraw/zinc/58/10/98/560581098.db2.gz PRDZSNSKJXCSSU-UHFFFAOYSA-N 0 0 402.338 4.687 50 0 HJAARN C[C@@H]1CCN(C(=O)CSc2nnc(C3CC3)n2C2CC2)c2ccccc2S1 ZINC000005401269 560583879 /nfs/dbraw/zinc/58/38/79/560583879.db2.gz SNQRKRNORJZDOT-CYBMUJFWSA-N 0 0 400.573 4.500 50 0 HJAARN COc1cc(OC)cc(-c2nnc(S[C@@H](C)C(=O)c3ccc4c(c3)CCC4)o2)c1 ZINC000005435342 560586746 /nfs/dbraw/zinc/58/67/46/560586746.db2.gz GXOUIZOHWGEOPQ-ZDUSSCGKSA-N 0 0 410.495 4.606 50 0 HJAARN Cc1ccc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)c(Br)c1 ZINC000002647104 560587047 /nfs/dbraw/zinc/58/70/47/560587047.db2.gz ZOBXQWFCDPEQFV-UHFFFAOYSA-N 0 0 409.711 4.560 50 0 HJAARN O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)NCc1cccs1 ZINC000002654537 560587186 /nfs/dbraw/zinc/58/71/86/560587186.db2.gz VTZOVRXDMNDFCM-UHFFFAOYSA-N 0 0 424.526 4.543 50 0 HJAARN Cn1c(S[C@H](C(=O)N2CCCC2)c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000005472117 560593255 /nfs/dbraw/zinc/59/32/55/560593255.db2.gz MVJKWADUFSPNCA-SFHVURJKSA-N 0 0 412.946 4.591 50 0 HJAARN O=C1c2ccccc2C(=O)N1CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000003346838 560593860 /nfs/dbraw/zinc/59/38/60/560593860.db2.gz UASOOHDBSVCDEO-UHFFFAOYSA-N 0 0 424.485 4.551 50 0 HJAARN COc1ccccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000003459675 560594182 /nfs/dbraw/zinc/59/41/82/560594182.db2.gz RQWYLYFRIGLKDF-UHFFFAOYSA-N 0 0 408.420 4.722 50 0 HJAARN C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000004389748 560605717 /nfs/dbraw/zinc/60/57/17/560605717.db2.gz GUYARDYVEODDND-CALCHBBNSA-N 0 0 423.538 4.547 50 0 HJAARN Cc1ccc(-n2ncc3c2ncnc3SCC(=O)Nc2ccccc2C(C)C)cc1 ZINC000005533467 560606182 /nfs/dbraw/zinc/60/61/82/560606182.db2.gz CIYMOTOLUZXJNH-UHFFFAOYSA-N 0 0 417.538 4.978 50 0 HJAARN CCc1ccc(-c2csc3ncn(CC(=O)Nc4cc(C)ccc4C)c(=O)c23)cc1 ZINC000005556607 560612934 /nfs/dbraw/zinc/61/29/34/560612934.db2.gz UDIRBGGLASUFBO-UHFFFAOYSA-N 0 0 417.534 4.943 50 0 HJAARN Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000014698689 560616031 /nfs/dbraw/zinc/61/60/31/560616031.db2.gz FYKLDMPDTRINHA-UHFFFAOYSA-N 0 0 420.943 4.574 50 0 HJAARN CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc(Cl)cc2)NC(=O)N1 ZINC000005517786 560626854 /nfs/dbraw/zinc/62/68/54/560626854.db2.gz DXSUATSWNPSAIH-INIZCTEOSA-N 0 0 409.795 4.625 50 0 HJAARN COc1ccccc1NC(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000005515133 560626867 /nfs/dbraw/zinc/62/68/67/560626867.db2.gz XVIIRGBALLALCO-JCMHNJIXSA-N 0 0 411.461 4.586 50 0 HJAARN Cc1ccc(OCc2nc3ccccc3n2C[C@@H](O)COc2ccc(C)cc2)cc1 ZINC000005588916 560627151 /nfs/dbraw/zinc/62/71/51/560627151.db2.gz HAHWHNKTXTUHMM-HXUWFJFHSA-N 0 0 402.494 4.672 50 0 HJAARN CCCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(OC)cc4)nc3cc2C)cc1 ZINC000005597597 560628549 /nfs/dbraw/zinc/62/85/49/560628549.db2.gz OEVGKJXBFAIDER-UHFFFAOYSA-N 0 0 416.481 4.779 50 0 HJAARN CC(=O)c1cccc(NC(=O)c2cc(Br)c(Br)s2)c1 ZINC000006376780 560630362 /nfs/dbraw/zinc/63/03/62/560630362.db2.gz NBKSTGHOAMNXSI-UHFFFAOYSA-N 0 0 403.095 4.728 50 0 HJAARN CN(C)c1ccc([C@@H](CNC(=O)COc2ccccc2)c2c[nH]c3ccccc32)cc1 ZINC000005638010 560635796 /nfs/dbraw/zinc/63/57/96/560635796.db2.gz VYHMZAPCIMMMTG-HSZRJFAPSA-N 0 0 413.521 4.561 50 0 HJAARN COc1cc(NC(=O)CSc2cc(C)c3ccccc3n2)c(OC)cc1Cl ZINC000005637950 560635811 /nfs/dbraw/zinc/63/58/11/560635811.db2.gz AVTQQNCKCCPSRV-UHFFFAOYSA-N 0 0 402.903 4.945 50 0 HJAARN COc1cc(C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)ccc1OC(F)F ZINC000007781087 560635913 /nfs/dbraw/zinc/63/59/13/560635913.db2.gz HTHXSJDFJAREOR-HXUWFJFHSA-N 0 0 421.440 4.585 50 0 HJAARN Cc1ccc(NC(=O)c2c(F)cccc2Cl)cc1S(=O)(=O)N1CCCCCC1 ZINC000008727886 560637979 /nfs/dbraw/zinc/63/79/79/560637979.db2.gz VEAQXYUEUBHVEW-UHFFFAOYSA-N 0 0 424.925 4.605 50 0 HJAARN CCCn1c(=O)c2ccc(Cl)cc2nc1S[C@@H](C)C(=O)Nc1ccccc1F ZINC000008988562 560641113 /nfs/dbraw/zinc/64/11/13/560641113.db2.gz JRJALXLCNKJROD-LBPRGKRZSA-N 0 0 419.909 4.718 50 0 HJAARN CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)c1ccccc1OC ZINC000015953512 560650490 /nfs/dbraw/zinc/65/04/90/560650490.db2.gz MSNAJPITWAXSRH-GRYUFTJMSA-N 0 0 409.526 4.602 50 0 biogenic HJAARN CN1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)c2nc3ccccc3nc21 ZINC000017364745 560712858 /nfs/dbraw/zinc/71/28/58/560712858.db2.gz ZFCGHGXTFUIJNI-UHFFFAOYSA-N 0 0 402.429 4.516 50 0 HJAARN Clc1ccc(-n2ncc3c2ncnc3Nc2ccc(Br)cc2)cc1 ZINC000017723590 560724321 /nfs/dbraw/zinc/72/43/21/560724321.db2.gz ZETZHDSPPAUPAA-UHFFFAOYSA-N 0 0 400.667 4.975 50 0 HJAARN O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(COc2ccccc2)o1 ZINC000014707780 560728854 /nfs/dbraw/zinc/72/88/54/560728854.db2.gz BABRZRRIOZBSFI-UHFFFAOYSA-N 0 0 412.873 4.601 50 0 HJAARN O=C1OC(c2ccccc2)=N/C1=C1/C=C(c2ccc3c(c2)OCO3)Oc2ccccc21 ZINC000017836636 560729088 /nfs/dbraw/zinc/72/90/88/560729088.db2.gz RWOAORARPOUTQR-NKFKGCMQSA-N 0 0 409.397 4.564 50 0 biogenic HJAARN CCOc1cc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(OCC)c1OCC ZINC000002083796 560730053 /nfs/dbraw/zinc/73/00/53/560730053.db2.gz LZYFSISCXNOALU-UHFFFAOYSA-N 0 0 423.893 4.806 50 0 HJAARN O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccc(Cl)cc1 ZINC000002245046 560730933 /nfs/dbraw/zinc/73/09/33/560730933.db2.gz ZGLPSPPJKNVCOQ-UHFFFAOYSA-N 0 0 423.881 4.981 50 0 HJAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)OCC(=O)c1ccc2c(c1)OCO2 ZINC000017956067 560731294 /nfs/dbraw/zinc/73/12/94/560731294.db2.gz YYNLDLLWWQZJCR-UHFFFAOYSA-N 0 0 415.854 4.540 50 0 HJAARN CCCCOC(=O)c1ccc(NC(=O)c2ccc(I)cc2)cc1 ZINC000002745634 560732026 /nfs/dbraw/zinc/73/20/26/560732026.db2.gz CMIXIPBUGJHIRK-UHFFFAOYSA-N 0 0 423.250 4.500 50 0 HJAARN CC(C)Cn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccco1 ZINC000008389331 560754630 /nfs/dbraw/zinc/75/46/30/560754630.db2.gz BZPNXBWDGPFSGY-UHFFFAOYSA-N 0 0 413.528 4.535 50 0 HJAARN Cc1ccc(C(=O)Nc2nc3n(n2)[C@H](c2ccccc2)CC(c2ccccc2)=N3)cc1 ZINC000101020044 560766687 /nfs/dbraw/zinc/76/66/87/560766687.db2.gz ADKCUORTXGRMET-QFIPXVFZSA-N 0 0 407.477 4.895 50 0 HJAARN Clc1cccc([C@H]2CC(c3ccc(Br)cc3)=Nc3nnnn32)c1Cl ZINC000101070159 560770764 /nfs/dbraw/zinc/77/07/64/560770764.db2.gz DZGSUZIPSWMACY-CQSZACIVSA-N 0 0 423.101 4.798 50 0 HJAARN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nc(C3CC3)nc3ccccc32)c1C ZINC000010943577 560771068 /nfs/dbraw/zinc/77/10/68/560771068.db2.gz FEKHHZCWNLQESP-CYBMUJFWSA-N 0 0 409.511 4.602 50 0 HJAARN CCN1c2cc(C(=O)Nc3ccc(Cl)cc3F)ccc2C(=O)N2CCCC[C@@H]12 ZINC000583648903 560779110 /nfs/dbraw/zinc/77/91/10/560779110.db2.gz BVDNVDDZPCHBFL-IBGZPJMESA-N 0 0 401.869 4.524 50 0 HJAARN CC(C)C[C@@H]1[C@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)[C@H]2ON1c1ccccc1 ZINC000018129666 560779244 /nfs/dbraw/zinc/77/92/44/560779244.db2.gz KAEVMPMHCQRLOG-LMMKCTJWSA-N 0 0 419.308 4.718 50 0 HJAARN COc1ccc([C@H]2CC(c3ccc(Cl)cc3Cl)=Nc3ncnn32)cc1OC ZINC000101096053 560785537 /nfs/dbraw/zinc/78/55/37/560785537.db2.gz AKXVIICFLBCWEC-MRXNPFEDSA-N 0 0 403.269 4.658 50 0 HJAARN Nc1c(Cl)c(Cl)nc(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)c1Cl ZINC000018260896 560785651 /nfs/dbraw/zinc/78/56/51/560785651.db2.gz OVKLPLUYZNNQGT-UHFFFAOYSA-N 0 0 417.720 4.566 50 0 HJAARN Fc1cccc(Cl)c1[C@H]1CC(c2cccc(Br)c2)=Nc2ncnn21 ZINC000101100312 560786075 /nfs/dbraw/zinc/78/60/75/560786075.db2.gz MRKFWWYKNVPQMH-OAHLLOKOSA-N 0 0 405.658 4.889 50 0 HJAARN N=c1c2c(ncn1Cc1ccco1)Oc1cc(O)ccc1[C@H]2c1ccc(Cl)cc1 ZINC000101363609 560792733 /nfs/dbraw/zinc/79/27/33/560792733.db2.gz XRGMYDWLRJTWAA-LJQANCHMSA-N 0 0 405.841 4.649 50 0 HJAARN O=S(=O)(c1ccc(SCc2nc3ccccc3s2)nc1)N1CCCCCC1 ZINC000005702562 560797605 /nfs/dbraw/zinc/79/76/05/560797605.db2.gz VQRUWVQTQJEKSK-UHFFFAOYSA-N 0 0 419.597 4.548 50 0 HJAARN CC(C)(C)c1ccc(-c2nc3[nH]c(CNc4ccc(Cl)cc4)cc(=O)n3n2)cc1 ZINC000101747857 560800164 /nfs/dbraw/zinc/80/01/64/560800164.db2.gz YMJYMGOUPOMQFL-UHFFFAOYSA-N 0 0 407.905 4.648 50 0 HJAARN Cc1cccc(NCc2cc(=O)n3nc(-c4ccc(C(C)(C)C)cc4)nc3[nH]2)c1C ZINC000101747871 560800216 /nfs/dbraw/zinc/80/02/16/560800216.db2.gz HIOIOAOJVPUBDT-UHFFFAOYSA-N 0 0 401.514 4.611 50 0 HJAARN COc1ccc(Nc2nc(COC(=O)CCC(=O)c3cccs3)cs2)cc1 ZINC000005709651 560804905 /nfs/dbraw/zinc/80/49/05/560804905.db2.gz ZUTPRMJIWHYTML-UHFFFAOYSA-N 0 0 402.497 4.663 50 0 HJAARN CCN(C(=O)CN1c2cc(C)c(C)cc2N=C2CCC[C@@H]2C1=O)c1cccc(C)c1 ZINC000101946118 560805444 /nfs/dbraw/zinc/80/54/44/560805444.db2.gz DTMILQHSDZNZSX-FQEVSTJZSA-N 0 0 403.526 4.884 50 0 HJAARN CCN(CC)c1ccc(NC(=O)CN2c3ccccc3N=C3CCC[C@H]3C2=O)c(C)c1 ZINC000101947247 560805681 /nfs/dbraw/zinc/80/56/81/560805681.db2.gz DNYDTGDUAFFSMN-LJQANCHMSA-N 0 0 418.541 4.699 50 0 HJAARN C[C@@H]1CCC[C@H](NC(=O)COc2ccc3c(c2)occ(-c2ccc(F)cc2)c3=O)[C@H]1C ZINC000102169172 560808311 /nfs/dbraw/zinc/80/83/11/560808311.db2.gz IZTVWXJSZQAIMY-VVBPWWLESA-N 0 0 423.484 4.919 50 0 HJAARN O=C(Nc1ccc2c(c1)OCCO2)Nc1c(=O)oc2ccccc2c1NC1CCCC1 ZINC000102201355 560808630 /nfs/dbraw/zinc/80/86/30/560808630.db2.gz SKDFVFICGRWXPS-UHFFFAOYSA-N 0 0 421.453 4.563 50 0 HJAARN c1csc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3ccccc3)=Nc3nnnn32)c1 ZINC000102230606 560808774 /nfs/dbraw/zinc/80/87/74/560808774.db2.gz KUABBLHKFQCNQO-FQEVSTJZSA-N 0 0 423.505 4.643 50 0 HJAARN COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3nc(C(F)(F)F)nn32)cc1O ZINC000102245319 560808850 /nfs/dbraw/zinc/80/88/50/560808850.db2.gz FHZFGGTYCHZUKJ-CQSZACIVSA-N 0 0 422.794 4.721 50 0 HJAARN COc1ccc(C)cc1NC(=O)CN1c2ccccc2N=C(c2cccs2)CC1=O ZINC000102300875 560809112 /nfs/dbraw/zinc/80/91/12/560809112.db2.gz MBEQNRKKAHWMSZ-UHFFFAOYSA-N 0 0 419.506 4.561 50 0 HJAARN O=C(CN1c2ccccc2N=C(c2cccs2)CC1=O)Nc1cccc(Cl)c1 ZINC000102300748 560809116 /nfs/dbraw/zinc/80/91/16/560809116.db2.gz QGNREDKPKXWKOW-UHFFFAOYSA-N 0 0 409.898 4.898 50 0 HJAARN Cc1nnc(SCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)n1-c1cccc(C)c1 ZINC000102319085 560809398 /nfs/dbraw/zinc/80/93/98/560809398.db2.gz BGEULRNCUYQDJF-FFZOFVMBSA-N 0 0 401.576 4.980 50 0 HJAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(F)cc3)C(=O)C2)cc1C ZINC000102530043 560813175 /nfs/dbraw/zinc/81/31/75/560813175.db2.gz VCCMXFWJUXXSAE-UHFFFAOYSA-N 0 0 415.468 4.939 50 0 HJAARN CCSc1nc2n(n1)[C@H](c1cc(OC)ccc1OC)C1C(=O)CC(C)(C)CC1=N2 ZINC000102671680 560819577 /nfs/dbraw/zinc/81/95/77/560819577.db2.gz RCBUWLCAALWKLV-GOSISDBHSA-N 0 0 414.531 4.715 50 0 HJAARN COc1cc(N2CC(=O)C(c3nc(-c4ccccc4)cs3)=C2N)cc(OC)c1OC ZINC000102732474 560822602 /nfs/dbraw/zinc/82/26/02/560822602.db2.gz YNUVYSOFAMSERQ-UHFFFAOYSA-N 0 0 423.494 4.602 50 0 HJAARN COc1ccc(-c2csc(C3=C(N)N(c4cc(OC)cc(OC)c4)CC3=O)n2)cc1 ZINC000102718636 560823367 /nfs/dbraw/zinc/82/33/67/560823367.db2.gz LIEMGIMJMCSMGJ-UHFFFAOYSA-N 0 0 423.494 4.602 50 0 HJAARN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4C)[C@@H]3C2=O)c(C)c1 ZINC000102763452 560824922 /nfs/dbraw/zinc/82/49/22/560824922.db2.gz HFOLDOQWPQYRAR-KMDXXIMOSA-N 0 0 412.489 4.663 50 0 HJAARN C[C@@H]1CCC[C@H](NC(=O)CCC(=O)Nc2ccc(OCCc3ccccc3)cc2)[C@H]1C ZINC000103140968 560838916 /nfs/dbraw/zinc/83/89/16/560838916.db2.gz FJGYJYVPOMIGPN-NMMYMHLASA-N 0 0 422.569 4.968 50 0 HJAARN CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CCCC[C@H]12 ZINC000103405371 560841676 /nfs/dbraw/zinc/84/16/76/560841676.db2.gz BPRMDKHXSGCKLD-UNMCSNQZSA-N 0 0 424.342 4.773 50 0 HJAARN C[C@H](NC(=O)c1ccccc1Cl)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000024577831 560854440 /nfs/dbraw/zinc/85/44/40/560854440.db2.gz RQLJZSXVFJIMLT-SFHVURJKSA-N 0 0 420.940 4.797 50 0 HJAARN CCCCOC(=O)c1ccc(NC(=O)c2cccc(I)c2)cc1 ZINC000015659834 560855769 /nfs/dbraw/zinc/85/57/69/560855769.db2.gz GZFWBMPWGGXVKB-UHFFFAOYSA-N 0 0 423.250 4.500 50 0 HJAARN C[C@@H](NS(=O)(=O)c1ccccc1Br)c1ccc(Cl)c(Cl)c1 ZINC000016087315 560858195 /nfs/dbraw/zinc/85/81/95/560858195.db2.gz MDKFOBPGJPASGB-SECBINFHSA-N 0 0 409.132 4.795 50 0 HJAARN C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000105657180 560876744 /nfs/dbraw/zinc/87/67/44/560876744.db2.gz HZLFPOLILMWHIK-KWBADKCTSA-N 0 0 420.888 4.577 50 0 HJAARN CCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000012063002 560888235 /nfs/dbraw/zinc/88/82/35/560888235.db2.gz JACIYACCCUMGBS-AWEZNQCLSA-N 0 0 415.877 4.812 50 0 HJAARN Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)N2CCCC[C@H]2C)cc1 ZINC000012062335 560888322 /nfs/dbraw/zinc/88/83/22/560888322.db2.gz BMONRRHHTFFMPQ-LJQANCHMSA-N 0 0 423.582 4.917 50 0 HJAARN CC(=O)c1sc(NC(=O)Cc2csc(-c3ccco3)n2)nc1-c1ccccc1 ZINC000024600426 560888754 /nfs/dbraw/zinc/88/87/54/560888754.db2.gz IETGQAOMQCGVFX-UHFFFAOYSA-N 0 0 409.492 4.910 50 0 HJAARN CCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)N[C@H](C)c2ccccc2)C1 ZINC000106289244 560889301 /nfs/dbraw/zinc/88/93/01/560889301.db2.gz YERONRJRYIUEGF-UYAOXDASSA-N 0 0 418.541 4.512 50 0 HJAARN CCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)N[C@H](C)c2ccccc2)C1 ZINC000106289242 560889358 /nfs/dbraw/zinc/88/93/58/560889358.db2.gz YERONRJRYIUEGF-QUCCMNQESA-N 0 0 418.541 4.512 50 0 HJAARN CC1=NN(c2ccccc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CCCC[C@@H]12 ZINC000025184500 560891380 /nfs/dbraw/zinc/89/13/80/560891380.db2.gz BPRMDKHXSGCKLD-IFMALSPDSA-N 0 0 424.342 4.773 50 0 HJAARN COc1cccc(-c2ccc(C(=O)N3CCC4(CC3)OC(=O)c3ccccc34)cc2)c1 ZINC000211108996 560894934 /nfs/dbraw/zinc/89/49/34/560894934.db2.gz PNSLWNRLXIIQKL-UHFFFAOYSA-N 0 0 413.473 4.664 50 0 HJAARN CCOc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCc3ccccc3C2)cc1 ZINC000022907794 568416082 /nfs/dbraw/zinc/41/60/82/568416082.db2.gz CPCODUCNHPYYQP-QFIPXVFZSA-N 0 0 406.551 4.676 50 0 HJAARN COc1ccc(NC(C)=O)cc1NC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000045297768 568419007 /nfs/dbraw/zinc/41/90/07/568419007.db2.gz XZPYTCXEMSWTSR-UHFFFAOYSA-N 0 0 417.509 4.997 50 0 HJAARN COc1ccc(CC(=O)Nc2c(=O)oc3ccccc3c2NCC2CCCCC2)cc1 ZINC000046004919 568423619 /nfs/dbraw/zinc/42/36/19/568423619.db2.gz IVWBXUXOECLLRK-UHFFFAOYSA-N 0 0 420.509 4.975 50 0 HJAARN Cc1cccc([C@@H]2CCCN2C(=O)c2cc3nc(C4CC4)cc(C(F)(F)F)n3n2)c1 ZINC000046017954 568423844 /nfs/dbraw/zinc/42/38/44/568423844.db2.gz NOVXGNNOTJGODB-SFHVURJKSA-N 0 0 414.431 4.911 50 0 HJAARN COc1ccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)cc1 ZINC000046022326 568424220 /nfs/dbraw/zinc/42/42/20/568424220.db2.gz UEZNFLDUSOSOJK-UHFFFAOYSA-N 0 0 413.568 4.990 50 0 HJAARN O=C(CSC1=NC2(CCCC2)N=C1c1cccs1)Nc1cc(F)ccc1F ZINC000046022487 568424236 /nfs/dbraw/zinc/42/42/36/568424236.db2.gz QIEQMJCESPHETN-UHFFFAOYSA-N 0 0 405.495 4.870 50 0 HJAARN Cc1ccc(C)c(CNC(=O)[C@@H]2CCCN(C(=O)Cc3cccc4ccccc43)C2)c1 ZINC000046045287 568425133 /nfs/dbraw/zinc/42/51/33/568425133.db2.gz QGTKOZASCBFTGG-HSZRJFAPSA-N 0 0 414.549 4.554 50 0 HJAARN COc1ccccc1C(=O)c1cn(Cc2ccccc2Cl)c2nc(C)ccc2c1=O ZINC000046053784 568425470 /nfs/dbraw/zinc/42/54/70/568425470.db2.gz MJGAXYXHHMVGDP-UHFFFAOYSA-N 0 0 418.880 4.646 50 0 HJAARN Cc1nn(-c2ccc(F)cc2F)c2c1[C@@H](C(=O)c1ccc3ccccc3c1)CC(=O)N2 ZINC000046057111 568426065 /nfs/dbraw/zinc/42/60/65/568426065.db2.gz FTRDAVZJQGFRQU-SFHVURJKSA-N 0 0 417.415 4.921 50 0 HJAARN CCCCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(C)cc3)ccc2s1 ZINC000046058568 568426483 /nfs/dbraw/zinc/42/64/83/568426483.db2.gz SCBDIXQJRQLTFU-UHFFFAOYSA-N 0 0 416.568 4.565 50 0 HJAARN Cc1ccc2c(c1)NC(=O)c1cc(S(=O)(=O)N(C)c3cc(C)ccc3C)ccc1O2 ZINC000046077636 568427442 /nfs/dbraw/zinc/42/74/42/568427442.db2.gz PJDINPMNIUHOGK-UHFFFAOYSA-N 0 0 422.506 4.795 50 0 HJAARN O=C(NCCc1ccccc1)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 ZINC000046078771 568427601 /nfs/dbraw/zinc/42/76/01/568427601.db2.gz SEDNGPFTIZHVAM-UHFFFAOYSA-N 0 0 418.924 4.906 50 0 HJAARN COc1cccc(NC(=O)c2ccc(N3CCCN(Cc4ccccc4)C3=O)cc2)c1 ZINC000046079769 568427902 /nfs/dbraw/zinc/42/79/02/568427902.db2.gz CAIIWKRXRZXLKQ-UHFFFAOYSA-N 0 0 415.493 4.780 50 0 HJAARN O=C(NCCc1cc(F)cc2c1OCOC2)Nc1ccccc1Cc1ccccc1 ZINC000047706549 568430981 /nfs/dbraw/zinc/43/09/81/568430981.db2.gz MGHAGFHKHICOKL-UHFFFAOYSA-N 0 0 406.457 4.647 50 0 HJAARN COc1ccc([C@@H]2CCCCCN2C(=O)Nc2nnc(-c3ccccn3)s2)cc1 ZINC000047790207 568431283 /nfs/dbraw/zinc/43/12/83/568431283.db2.gz SJQPUNMQMACLAN-SFHVURJKSA-N 0 0 409.515 4.758 50 0 HJAARN COc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1OCc1cccnc1 ZINC000047881434 568431357 /nfs/dbraw/zinc/43/13/57/568431357.db2.gz CZCDTBRMSSYOOG-UHFFFAOYSA-N 0 0 402.372 4.940 50 0 HJAARN COCCn1c2ccccc2nc1SCc1cc(Cl)c2c(c1)OCCCO2 ZINC000048231500 568433419 /nfs/dbraw/zinc/43/34/19/568433419.db2.gz MTOYCANJNHKKPZ-UHFFFAOYSA-N 0 0 404.919 4.790 50 0 HJAARN O=C(Oc1c(Cl)cc(Cl)cc1Cl)C1CCN(c2ccc(Cl)nn2)CC1 ZINC000048262634 568433662 /nfs/dbraw/zinc/43/36/62/568433662.db2.gz QOUZIJSSHQUYHA-UHFFFAOYSA-N 0 0 421.111 4.912 50 0 HJAARN Cc1ccc(NC(=O)N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)c(OCc2ccccc2)c1 ZINC000048262469 568433737 /nfs/dbraw/zinc/43/37/37/568433737.db2.gz QHNVENLOLZWYSE-VXKWHMMOSA-N 0 0 424.541 4.766 50 0 HJAARN COc1cccc(C2=N/C(=C/c3sc(Oc4ccccc4)nc3Cl)C(=O)O2)c1 ZINC000048312179 568437457 /nfs/dbraw/zinc/43/74/57/568437457.db2.gz VALWWWOVVYKFRJ-RVDMUPIBSA-N 0 0 412.854 4.942 50 0 HJAARN Cc1cc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)ccc1Br ZINC000051364564 568438250 /nfs/dbraw/zinc/43/82/50/568438250.db2.gz UIROMKJSLVLURS-KRWDZBQOSA-N 0 0 423.310 4.916 50 0 HJAARN Cc1occc1C(=O)Nc1nc(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cs1 ZINC000048344710 568440862 /nfs/dbraw/zinc/44/08/62/568440862.db2.gz QKZCSOKEWYNLRV-AWEZNQCLSA-N 0 0 423.538 4.596 50 0 HJAARN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N(C)Cc3ccc4c(c3)OCO4)c12 ZINC000048356220 568441148 /nfs/dbraw/zinc/44/11/48/568441148.db2.gz YXJRIPNHTVDJLB-UHFFFAOYSA-N 0 0 422.529 4.619 50 0 HJAARN CC(=O)c1cccc(Nc2c(C(=O)N3CCC(C)CC3)cnc3nc(C)ccc32)c1 ZINC000049005426 568444440 /nfs/dbraw/zinc/44/44/40/568444440.db2.gz XDHDZBXYCKCOHW-UHFFFAOYSA-N 0 0 402.498 4.757 50 0 HJAARN COc1ccc(Nc2c(C(=O)N3CCC[C@H](C)C3)cnc3nc(C)ccc32)cc1OC ZINC000049005348 568444458 /nfs/dbraw/zinc/44/44/58/568444458.db2.gz OGWABPNVUZJJRN-HNNXBMFYSA-N 0 0 420.513 4.571 50 0 HJAARN O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2)c1ccc(F)cc1Cl ZINC000049030311 568445734 /nfs/dbraw/zinc/44/57/34/568445734.db2.gz PFDNPHUVSOPPHK-OAHLLOKOSA-N 0 0 402.853 4.509 50 0 HJAARN Cc1ccc2c(ncc(C(=O)N3CCCC3)c2Nc2ccc(Br)cc2)n1 ZINC000049004581 568446755 /nfs/dbraw/zinc/44/67/55/568446755.db2.gz HQMQMQBGSNLGMU-UHFFFAOYSA-N 0 0 411.303 4.680 50 0 HJAARN CCOc1ccc(-c2csc(-c3nnn(-c4ccc(F)c(Cl)c4)c3N)n2)cc1 ZINC000049421765 568450660 /nfs/dbraw/zinc/45/06/60/568450660.db2.gz GIMRMXRQSQNVSE-UHFFFAOYSA-N 0 0 415.881 4.831 50 0 HJAARN Cc1nn(Cc2ccccc2)c(C)c1[C@H]1SCC(=O)Nc2c1cnn2C(C)(C)C ZINC000049549806 568451832 /nfs/dbraw/zinc/45/18/32/568451832.db2.gz WLBWQEXABNRTOZ-FQEVSTJZSA-N 0 0 409.559 4.924 50 0 HJAARN C[C@@H]1c2ccsc2CCN1C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000049581380 568452869 /nfs/dbraw/zinc/45/28/69/568452869.db2.gz AFJYENDFSFYNKZ-MJGOQNOKSA-N 0 0 418.562 4.899 50 0 HJAARN Cc1ccc2c(c1)[C@]1(Nc3ccccc3C(=O)N1c1ccc(C)c(Cl)c1)C(=O)N2 ZINC000049947072 568453489 /nfs/dbraw/zinc/45/34/89/568453489.db2.gz AIIGVNHLBRRIGI-HSZRJFAPSA-N 0 0 403.869 4.834 50 0 HJAARN CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC ZINC000005673719 568453695 /nfs/dbraw/zinc/45/36/95/568453695.db2.gz XPDHKJJMJIQTOF-WQRHYEAKSA-N 0 0 403.887 4.984 50 0 HJAARN O=C(Nc1c(F)cccc1F)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000000640250 568456840 /nfs/dbraw/zinc/45/68/40/568456840.db2.gz YOFWUKABGVBDAL-OAQYLSRUSA-N 0 0 414.433 4.584 50 0 HJAARN COc1cccc(-c2ccc3c(N)c(C(=O)NCCc4ccc(F)cc4)sc3n2)c1 ZINC000000661216 568460142 /nfs/dbraw/zinc/46/01/42/568460142.db2.gz YZQIYXJEKAMYDA-UHFFFAOYSA-N 0 0 421.497 4.666 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCCCCC4)cc1 ZINC000000691617 568462012 /nfs/dbraw/zinc/46/20/12/568462012.db2.gz JJEBAMIPOAFZTF-UHFFFAOYSA-N 0 0 408.527 4.748 50 0 HJAARN COc1nc(-c2ccc(C)cc2)n(-c2ccc(NC(=O)c3cccc(OC)c3)cc2)n1 ZINC000000693463 568462180 /nfs/dbraw/zinc/46/21/80/568462180.db2.gz ULBNLPAJPYWNQE-UHFFFAOYSA-N 0 0 414.465 4.512 50 0 HJAARN COc1ccc([C@H]2CC(=O)c3c(C)cc4oc(=O)c5c(c4c3O2)CCCC5)cc1OC ZINC000012297014 568462523 /nfs/dbraw/zinc/46/25/23/568462523.db2.gz OVMHSCAYEDLKEV-LJQANCHMSA-N 0 0 420.461 4.704 50 0 biogenic HJAARN CCCCc1cc(=O)oc2cc(C)c3c(c12)O[C@H](c1ccc(O)c(OC)c1)CC3=O ZINC000012296520 568462642 /nfs/dbraw/zinc/46/26/42/568462642.db2.gz POMHTPFXPZXWPY-SFHVURJKSA-N 0 0 408.450 4.865 50 0 biogenic HJAARN Cc1c(NC(=O)c2ccccc2)cc(C(C)C)c(O)c1S(=O)(=O)c1ccccc1 ZINC000000719268 568466004 /nfs/dbraw/zinc/46/60/04/568466004.db2.gz WMFPZDNQIGIINA-UHFFFAOYSA-N 0 0 409.507 4.909 50 0 HJAARN O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000012323082 568471313 /nfs/dbraw/zinc/47/13/13/568471313.db2.gz RTSMUUHXXIXUPS-IBGZPJMESA-N 0 0 423.476 4.557 50 0 HJAARN CCc1nc2sc3c(c2c2nnc(SCC(=O)c4ccccc4)n21)CCCC3 ZINC000000794121 568480856 /nfs/dbraw/zinc/48/08/56/568480856.db2.gz WFGYLLNMYNSPQI-UHFFFAOYSA-N 0 0 408.552 4.755 50 0 HJAARN Cc1cc(C(=O)COC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)c(C)[nH]1 ZINC000022416547 568486285 /nfs/dbraw/zinc/48/62/85/568486285.db2.gz ORFISDMFSIPARK-UHFFFAOYSA-N 0 0 407.495 4.688 50 0 HJAARN O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)N[C@@H]1CCSc2ccccc21 ZINC000007990690 568487414 /nfs/dbraw/zinc/48/74/14/568487414.db2.gz SMGVKMNWCCXMPZ-OAQYLSRUSA-N 0 0 418.518 4.562 50 0 HJAARN C[C@@H](NC(=O)Cn1c2ccccc2nc1-c1cscn1)c1ccc2c(c1)CCCC2 ZINC000008128132 568491074 /nfs/dbraw/zinc/49/10/74/568491074.db2.gz XGZJNWFDVGGIJM-MRXNPFEDSA-N 0 0 416.550 4.916 50 0 HJAARN COc1ccc(CCC(=O)NCCc2cn(CC(C)C)c3ccccc23)cc1OC ZINC000604405280 568492548 /nfs/dbraw/zinc/49/25/48/568492548.db2.gz QKFUDORGMMIKRJ-UHFFFAOYSA-N 0 0 408.542 4.606 50 0 biogenic HJAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000604405452 568492572 /nfs/dbraw/zinc/49/25/72/568492572.db2.gz SYZHJSUSIVBYRT-IBGZPJMESA-N 0 0 407.470 4.537 50 0 biogenic HJAARN COc1ccc([C@H](NC(=O)NCCc2c[nH]c3ccc(F)cc23)C(C)C)cc1OC ZINC000604418869 568493014 /nfs/dbraw/zinc/49/30/14/568493014.db2.gz OLZRNKZWIOFYRI-JOCHJYFZSA-N 0 0 413.493 4.563 50 0 HJAARN C[C@@H]1CCc2c(sc3ncn(CC(=O)Nc4ccccc4C(C)(C)C)c(=O)c32)C1 ZINC000008192869 568493621 /nfs/dbraw/zinc/49/36/21/568493621.db2.gz VCQNGBWFPSUCOD-CQSZACIVSA-N 0 0 409.555 4.519 50 0 HJAARN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccc(-c2ccccc2)cc1 ZINC000008230519 568494485 /nfs/dbraw/zinc/49/44/85/568494485.db2.gz YMXVZZUITCXAJX-RUZDIDTESA-N 0 0 412.489 4.626 50 0 HJAARN Cc1ccc(C(=O)C[C@@H](C(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008475326 568501373 /nfs/dbraw/zinc/50/13/73/568501373.db2.gz JLKNSOZBSADQDV-DEOSSOPVSA-N 0 0 420.530 4.910 50 0 HJAARN CC[C@](C)(C(=O)Nc1c(C)cccc1C)N(C(=O)c1ccccn1)c1ccc(O)cc1 ZINC000000830303 568504045 /nfs/dbraw/zinc/50/40/45/568504045.db2.gz PYGLYMXPVVDWRS-RUZDIDTESA-N 0 0 417.509 4.858 50 0 HJAARN C[C@@H](NC(=O)[C@@H]1CCCN(c2nccnc2Sc2ccccc2)C1)c1ccccc1 ZINC000033168802 568511541 /nfs/dbraw/zinc/51/15/41/568511541.db2.gz CBDMQVATBCXOOH-UYAOXDASSA-N 0 0 418.566 4.722 50 0 HJAARN Cc1nc(-c2cc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c(C)s2)sc1C ZINC000033169495 568511590 /nfs/dbraw/zinc/51/15/90/568511590.db2.gz PYXHWFTYVDJACQ-NSHDSACASA-N 0 0 404.582 4.937 50 0 HJAARN Cc1cccc(NC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)c1C ZINC000033272003 568512337 /nfs/dbraw/zinc/51/23/37/568512337.db2.gz MWBRZSUPAMXNGL-UHFFFAOYSA-N 0 0 406.507 4.670 50 0 HJAARN CCOC(=O)c1c(=O)[nH]c2ccc(Cl)cc2c1NCc1ccccc1C(F)(F)F ZINC000033256882 568512639 /nfs/dbraw/zinc/51/26/39/568512639.db2.gz LCVSXRAJPKWODJ-UHFFFAOYSA-N 0 0 424.806 4.989 50 0 HJAARN Cn1cc(-c2nc(-c3cccc(Cl)c3)no2)c(=O)c2cc(F)c(N3CCCC3)cc21 ZINC000033255922 568512677 /nfs/dbraw/zinc/51/26/77/568512677.db2.gz QHOFRNICRSSHQU-UHFFFAOYSA-N 0 0 424.863 4.648 50 0 HJAARN Cc1nc(-c2cccc(-c3noc(C(=O)NCCc4ccc(Cl)cc4)n3)c2)cs1 ZINC000033283682 568513544 /nfs/dbraw/zinc/51/35/44/568513544.db2.gz FRHPHNPSFAVRFA-UHFFFAOYSA-N 0 0 424.913 4.794 50 0 HJAARN Cc1csc(-c2cc(S(=O)(=O)NCc3ccc(OC(C)C)cc3)c(C)s2)n1 ZINC000033290019 568513618 /nfs/dbraw/zinc/51/36/18/568513618.db2.gz ACASSNHFEYEFER-UHFFFAOYSA-N 0 0 422.597 4.754 50 0 HJAARN Cc1cc(C(=O)CSc2cccc[n+]2[O-])c(C)n1CCc1ccc(Cl)cc1 ZINC000005780028 568544788 /nfs/dbraw/zinc/54/47/88/568544788.db2.gz SSXPASYKHVSJSZ-UHFFFAOYSA-N 0 0 400.931 4.609 50 0 HJAARN O=C1N(Cc2c(Cl)cccc2Cl)c2ccccc2[C@]1(O)[C@@H]1CCCCCC1=O ZINC000012377243 568551017 /nfs/dbraw/zinc/55/10/17/568551017.db2.gz OEHWBUQTATWGLB-ZHRRBRCNSA-N 0 0 418.320 4.877 50 0 HJAARN COC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000600975553 568586319 /nfs/dbraw/zinc/58/63/19/568586319.db2.gz BWDRDVHYVJQWBO-IZNZOKPZSA-N 0 0 406.607 4.566 50 0 HJAARN CCSC1=N/C(=C/c2cccc(OC)c2OC)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000020152037 568590853 /nfs/dbraw/zinc/59/08/53/568590853.db2.gz FGTGWBGBTRQAFQ-MHWRWJLKSA-N 0 0 420.893 4.993 50 0 HJAARN Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(F)cc2)N2CCOCC2)c1C ZINC000020192422 568593730 /nfs/dbraw/zinc/59/37/30/568593730.db2.gz VOERIMOXOGHAAZ-HXUWFJFHSA-N 0 0 414.502 4.771 50 0 HJAARN Cc1cc(Nc2c3[nH]cccc-3c(=O)n2Cc2cccs2)ccc1Br ZINC000020319762 568598632 /nfs/dbraw/zinc/59/86/32/568598632.db2.gz AHHFBESIBNIGCN-GOSISDBHSA-N 0 0 414.328 4.981 50 0 HJAARN COc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(Br)cc2)cc1 ZINC000020319870 568598719 /nfs/dbraw/zinc/59/87/19/568598719.db2.gz XEYUKXABWURNOR-LJQANCHMSA-N 0 0 410.271 4.624 50 0 HJAARN Cc1cc(C)c(NC(=O)CN2C(=O)c3cccc4c(Cl)ccc(c43)C2=O)c(C)c1 ZINC000020344426 568599436 /nfs/dbraw/zinc/59/94/36/568599436.db2.gz ZCXMYFZOVRRSIX-UHFFFAOYSA-N 0 0 406.869 4.653 50 0 HJAARN Cc1cccc(N(CCC(N)=O)C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1 ZINC000095349129 568600416 /nfs/dbraw/zinc/60/04/16/568600416.db2.gz PCFXYMIBSCEZFE-UHFFFAOYSA-N 0 0 421.111 4.526 50 0 HJAARN COc1ccc2[nH]c(=O)c(C=C3SC(=O)N=C3Nc3ccc(Cl)cc3)cc2c1 ZINC000080330217 568601899 /nfs/dbraw/zinc/60/18/99/568601899.db2.gz YMRCDVFIBMUEES-LICLKQGHSA-N 0 0 411.870 4.908 50 0 HJAARN CCOc1ccccc1OCc1nn2c(nnc2C23CC4CC(CC(C4)C2)C3)s1 ZINC000080346199 568602820 /nfs/dbraw/zinc/60/28/20/568602820.db2.gz CDPSDHBXHFWMJU-UHFFFAOYSA-N 0 0 410.543 4.631 50 0 HJAARN Cc1nc2ccc(NC(=O)N3CCO[C@@H](c4ccc(Br)cc4)C3)cc2o1 ZINC000095373489 568603129 /nfs/dbraw/zinc/60/31/29/568603129.db2.gz MYYKBHIELWRERB-GOSISDBHSA-N 0 0 416.275 4.504 50 0 HJAARN COc1ccccc1/C=C(\C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000020390025 568603921 /nfs/dbraw/zinc/60/39/21/568603921.db2.gz WBRWDDWQCFCLEO-QQTULTPQSA-N 0 0 412.533 4.580 50 0 HJAARN Cc1nc(S(=O)(=O)Cc2ccccc2C(F)(F)F)n(C2CCCCC2)c1C ZINC000095393426 568604180 /nfs/dbraw/zinc/60/41/80/568604180.db2.gz UMSDGBOFMSDVEP-UHFFFAOYSA-N 0 0 400.466 4.998 50 0 HJAARN Cc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)Nc3ccccc3C(F)(F)F)n2)cc1C ZINC000020464158 568610194 /nfs/dbraw/zinc/61/01/94/568610194.db2.gz UPAZVBJNBJMAGV-HNNXBMFYSA-N 0 0 415.415 4.746 50 0 HJAARN CC(C)(C)OC(=O)NC[C@H](NC(=O)CCc1ccncc1)c1ccc2ccccc2c1 ZINC000095446676 568611947 /nfs/dbraw/zinc/61/19/47/568611947.db2.gz GBUNLCPSLCHYOU-QFIPXVFZSA-N 0 0 419.525 4.550 50 0 HJAARN Cc1sc(NC(=O)[C@H]2CCC(=O)C[C@@H]2C)nc1-c1ccc(Br)cc1 ZINC000095447019 568612124 /nfs/dbraw/zinc/61/21/24/568612124.db2.gz AIFWEESVMZWMJB-BONVTDFDSA-N 0 0 407.333 4.825 50 0 HJAARN C[C@H](NC(=O)C(C)(C)[C@@H](O)c1cccc(OCc2ccccc2)c1)c1ccccn1 ZINC000095451134 568614410 /nfs/dbraw/zinc/61/44/10/568614410.db2.gz BYDAIOVNWBDQOR-MBSDFSHPSA-N 0 0 404.510 4.598 50 0 HJAARN CCOc1cc(C(=O)NCC2(c3ccncc3)CCCC2)cc(OCC)c1OCC ZINC000095453015 568615675 /nfs/dbraw/zinc/61/56/75/568615675.db2.gz KMKVZEQAAXXJAS-UHFFFAOYSA-N 0 0 412.530 4.520 50 0 HJAARN Cc1[nH]nc(C(F)F)c1NC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 ZINC000095456722 568617891 /nfs/dbraw/zinc/61/78/91/568617891.db2.gz ZBQDXBOFRQINMF-UHFFFAOYSA-N 0 0 402.376 4.608 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC000020531116 568627092 /nfs/dbraw/zinc/62/70/92/568627092.db2.gz JHCJNEGOJAEGFA-NRFANRHFSA-N 0 0 424.422 4.911 50 0 HJAARN CC(C)n1[nH]c(=O)c2c1NC(=O)CS[C@@H]2c1ccccc1OCCc1ccccc1 ZINC000095473317 568628852 /nfs/dbraw/zinc/62/88/52/568628852.db2.gz IHXJILFIUIIMRT-OAQYLSRUSA-N 0 0 423.538 4.803 50 0 HJAARN COc1cc([C@H]2SCC(=O)Nc3ncn(-c4cccc(Cl)c4)c32)ccc1O ZINC000095480108 568633100 /nfs/dbraw/zinc/63/31/00/568633100.db2.gz PANYBFHBOXAZDM-GOSISDBHSA-N 0 0 401.875 4.664 50 0 HJAARN O=C(CCc1nc(CSc2nc3ccccc3o2)no1)Nc1cccc(Cl)c1 ZINC000095481917 568634059 /nfs/dbraw/zinc/63/40/59/568634059.db2.gz QRDOEMVJKMIEHW-UHFFFAOYSA-N 0 0 414.874 4.728 50 0 HJAARN CC[C@H](Oc1cccc(C)c1C)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000095482402 568634523 /nfs/dbraw/zinc/63/45/23/568634523.db2.gz FJPXMDLVFHUJHR-SFHVURJKSA-N 0 0 413.905 4.823 50 0 HJAARN COc1ccc(C2=N/C(=C\C(Cl)=C\c3ccccc3)C(=O)O2)cc1Br ZINC000020616119 568638032 /nfs/dbraw/zinc/63/80/32/568638032.db2.gz NNKGHDRXAIDJPM-NDNZGNGMSA-N 0 0 418.674 4.925 50 0 HJAARN COc1ccc(-c2coc3c(ccc4c3CN(CCc3cccs3)CO4)c2=O)cc1 ZINC000020647252 568639349 /nfs/dbraw/zinc/63/93/49/568639349.db2.gz KLNANIMHXACFEO-UHFFFAOYSA-N 0 0 419.502 4.925 50 0 biogenic HJAARN Cc1csc(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccccc3)c2C)n1 ZINC000020867218 568646913 /nfs/dbraw/zinc/64/69/13/568646913.db2.gz XFYCCMRHQBTGOF-UHFFFAOYSA-N 0 0 405.527 4.682 50 0 HJAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1cccc(C)c1)SCC(=O)N2 ZINC000020891096 568647621 /nfs/dbraw/zinc/64/76/21/568647621.db2.gz NJINDEVPRSUEEL-IBGZPJMESA-N 0 0 406.536 4.874 50 0 HJAARN Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc(Br)c1)SCC(=O)N2 ZINC000020892855 568648139 /nfs/dbraw/zinc/64/81/39/568648139.db2.gz QTNRCKDNDFFIHR-SFHVURJKSA-N 0 0 414.328 4.718 50 0 HJAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)COc3cccc(C)c3)n2)cc1 ZINC000020899981 568649619 /nfs/dbraw/zinc/64/96/19/568649619.db2.gz QTHIXOHMZFCFLP-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN C[C@]1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1c1cccc(Cl)c1 ZINC000020903012 568650420 /nfs/dbraw/zinc/65/04/20/568650420.db2.gz CMLCFIPDKWPWDZ-XMMPIXPASA-N 0 0 421.928 4.773 50 0 HJAARN CC(C)(NC(=O)c1ccccc1)c1nc(-c2cccnc2Oc2ccccc2)no1 ZINC000225570308 568652479 /nfs/dbraw/zinc/65/24/79/568652479.db2.gz NOZOQJPGTXSTCH-UHFFFAOYSA-N 0 0 400.438 4.589 50 0 HJAARN O=S(=O)(NCCC1=CCCCC1)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000020977468 568653869 /nfs/dbraw/zinc/65/38/69/568653869.db2.gz QWQUUECTKBGTER-UHFFFAOYSA-N 0 0 406.451 4.591 50 0 HJAARN C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000020977817 568654050 /nfs/dbraw/zinc/65/40/50/568654050.db2.gz LKTOEPNZFKUGTM-SNVBAGLBSA-N 0 0 414.430 4.562 50 0 HJAARN O=C(Cn1nc(-c2ccc(F)cc2)c2cnc3ccccc3c21)NCc1ccccc1 ZINC000020996549 568656998 /nfs/dbraw/zinc/65/69/98/568656998.db2.gz FHRJASKBUQLFMY-UHFFFAOYSA-N 0 0 410.452 4.707 50 0 HJAARN C[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)c1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000095921829 568659883 /nfs/dbraw/zinc/65/98/83/568659883.db2.gz BSAXDUNXYUFZPF-SNVBAGLBSA-N 0 0 413.758 4.729 50 0 HJAARN Cc1nc(NCc2ccccc2F)ncc1C(=O)Nc1cccc(Br)c1 ZINC000021036330 568659941 /nfs/dbraw/zinc/65/99/41/568659941.db2.gz NTIGQMOHSMYKCC-UHFFFAOYSA-N 0 0 415.266 4.551 50 0 HJAARN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000095938989 568661238 /nfs/dbraw/zinc/66/12/38/568661238.db2.gz KKHNVUFTBKKQDE-CYBMUJFWSA-N 0 0 401.429 4.569 50 0 HJAARN COc1ccc(NC(=O)CN[C@H](C)c2nc3ccccc3n2C(C)C)cc1Cl ZINC000095941372 568662151 /nfs/dbraw/zinc/66/21/51/568662151.db2.gz OXXBEBBLTYZMHE-CQSZACIVSA-N 0 0 400.910 4.569 50 0 HJAARN C(Nc1nc(C2CC2)nc2sc3c(c21)CCCC3)c1nnc(C2CC2)n1C1CC1 ZINC000095941770 568662343 /nfs/dbraw/zinc/66/23/43/568662343.db2.gz VZZYSNZUBULOKG-UHFFFAOYSA-N 0 0 406.559 4.863 50 0 HJAARN CCC(=O)N1N=C(c2ccccc2OC)C[C@H]1c1cc2ccc(OC)cc2nc1Cl ZINC000095945286 568663352 /nfs/dbraw/zinc/66/33/52/568663352.db2.gz FEKNAITXKKHKEV-FQEVSTJZSA-N 0 0 423.900 4.993 50 0 HJAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1CNC(=O)Nc1cc(F)ccc1F ZINC000021100827 568666468 /nfs/dbraw/zinc/66/64/68/568666468.db2.gz XLXOJKYCHSWDAL-UHFFFAOYSA-N 0 0 407.424 4.571 50 0 HJAARN Cc1cc(C)cc(NC(=O)N2CCN(c3nc4cc(F)ccc4n4cccc34)CC2)c1 ZINC000021103991 568666709 /nfs/dbraw/zinc/66/67/09/568666709.db2.gz JLZREHZJTBARNX-UHFFFAOYSA-N 0 0 417.488 4.598 50 0 HJAARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2ccccc2C(F)(F)F)cc1 ZINC000021106712 568667154 /nfs/dbraw/zinc/66/71/54/568667154.db2.gz FQGSTYXIUXNYGI-FQEVSTJZSA-N 0 0 413.399 4.876 50 0 HJAARN CCOc1ccc(OCC)c(Nc2c3[nH]cccc-3c(=O)n2-c2ccc(C)cc2)c1 ZINC000021107707 568667545 /nfs/dbraw/zinc/66/75/45/568667545.db2.gz NVNBDEITCWPQQS-QHCPKHFHSA-N 0 0 403.482 4.959 50 0 HJAARN O=C1C[C@@H](c2nc3ccccc3n2Cc2cccnc2)CN1c1cccc(Cl)c1 ZINC000021171625 568676488 /nfs/dbraw/zinc/67/64/88/568676488.db2.gz FXAHGTVAJZOIJI-QGZVFWFLSA-N 0 0 402.885 4.654 50 0 HJAARN COC(=O)CCCCCNc1cc(C)nc2nc(-c3ccc(C(C)(C)C)cc3)nn21 ZINC000021173656 568676776 /nfs/dbraw/zinc/67/67/76/568676776.db2.gz MVQWIRCCVADMBH-UHFFFAOYSA-N 0 0 409.534 4.543 50 0 HJAARN C[S@](=O)c1ccc(CNc2ccc(OC(F)(F)F)cc2Br)cc1 ZINC000095996675 568679183 /nfs/dbraw/zinc/67/91/83/568679183.db2.gz VEJHKRCLKJLJBD-HSZRJFAPSA-N 0 0 408.239 4.697 50 0 HJAARN Cc1cc(Br)cc(C)c1N(Cc1cc[nH]n1)Cc1noc(C(C)C)n1 ZINC000096012767 568685044 /nfs/dbraw/zinc/68/50/44/568685044.db2.gz YJLBCIPBRULRRC-UHFFFAOYSA-N 0 0 404.312 4.502 50 0 HJAARN Brc1csc(CN2CCc3nc(Nc4ccccc4)ncc3C2)c1 ZINC000021262072 568685739 /nfs/dbraw/zinc/68/57/39/568685739.db2.gz LLDSGIUNGJZKBQ-UHFFFAOYSA-N 0 0 401.333 4.603 50 0 aggregator HJAARN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H]1Cc2ccccc2S1 ZINC000021308418 568687183 /nfs/dbraw/zinc/68/71/83/568687183.db2.gz FLHQTPRKOHSHHH-GOSISDBHSA-N 0 0 423.365 4.888 50 0 HJAARN CCc1ccc(S(=O)(=O)Nc2ccccc2CCc2nc3ccccc3n2C)cc1 ZINC000021357116 568688193 /nfs/dbraw/zinc/68/81/93/568688193.db2.gz UMIPRTYSJWGBFO-UHFFFAOYSA-N 0 0 419.550 4.722 50 0 HJAARN COCCN1c2ccc(NC(=O)c3cccs3)cc2Sc2ccccc2C1=O ZINC000021355358 568688436 /nfs/dbraw/zinc/68/84/36/568688436.db2.gz SRMOZVIXSNWASQ-UHFFFAOYSA-N 0 0 410.520 4.758 50 0 HJAARN Cn1c(CCc2ccc(NC(=O)NCc3ccc(F)cc3)cc2)nc2ccccc21 ZINC000021357741 568688569 /nfs/dbraw/zinc/68/85/69/568688569.db2.gz JOGWHPMUQDQXRE-UHFFFAOYSA-N 0 0 402.473 4.819 50 0 HJAARN Cc1ccc(C(=O)Nc2c3ccccc3[nH]c2C(=O)NCc2ccc(F)cc2)cc1 ZINC000021361441 568690084 /nfs/dbraw/zinc/69/00/84/568690084.db2.gz GOHGFBHCWYUDHA-UHFFFAOYSA-N 0 0 401.441 4.798 50 0 HJAARN COc1cccc(CNC(=O)c2[nH]c3ccccc3c2NC(=O)c2cccc(C)c2)c1 ZINC000021362336 568690251 /nfs/dbraw/zinc/69/02/51/568690251.db2.gz OBQUFVQLRIGEJK-UHFFFAOYSA-N 0 0 413.477 4.667 50 0 HJAARN COc1cc(Cl)c(C)cc1Nc1c2[nH]cccc-2c(=O)n1Cc1ccc(F)cc1 ZINC000021104517 568694447 /nfs/dbraw/zinc/69/44/47/568694447.db2.gz KIFIUIHMCDJBJA-OAQYLSRUSA-N 0 0 411.864 4.958 50 0 HJAARN COc1ccccc1[C@H]1CC(=O)Oc2cc(=O)c3c(O)cc(-c4ccccc4)oc-3c21 ZINC000096115121 568694595 /nfs/dbraw/zinc/69/45/95/568694595.db2.gz XJVIUGDRYMLYCD-MRXNPFEDSA-N 0 0 414.413 4.615 50 0 biogenic HJAARN O=C(COc1ccc(Cl)cc1Cl)NCc1ccc(C(=O)c2ccccc2)s1 ZINC000096119872 568699024 /nfs/dbraw/zinc/69/90/24/568699024.db2.gz ISSSHYLOKAJHCB-UHFFFAOYSA-N 0 0 420.317 4.981 50 0 HJAARN CO[C@@H]1CCCN(c2ccc(NC(=O)CCc3ccc(Br)cc3)cc2)C1 ZINC000096122454 568700241 /nfs/dbraw/zinc/70/02/41/568700241.db2.gz NDLAPMDWIOFHFV-HXUWFJFHSA-N 0 0 417.347 4.636 50 0 HJAARN CCOC(=O)/C=C\c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000096130064 568701899 /nfs/dbraw/zinc/70/18/99/568701899.db2.gz ZUQKCWISAMTZLP-XEGHISHKSA-N 0 0 424.497 4.649 50 0 HJAARN COc1ccc(C2(C(=O)N[C@@H]3CCCc4c5cc(F)ccc5[nH]c43)CCOCC2)cc1 ZINC000096232741 568708523 /nfs/dbraw/zinc/70/85/23/568708523.db2.gz BUHVTJAAWFCPGP-JOCHJYFZSA-N 0 0 422.500 4.558 50 0 HJAARN CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2)cc1OC ZINC000021523838 568708816 /nfs/dbraw/zinc/70/88/16/568708816.db2.gz ORMJKTYEGNRQSI-QFIPXVFZSA-N 0 0 423.538 4.671 50 0 HJAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)nc(NC(=O)c3ccco3)n2)cc1 ZINC000021525647 568709283 /nfs/dbraw/zinc/70/92/83/568709283.db2.gz AEPFCZVVNCUGRT-UHFFFAOYSA-N 0 0 401.422 4.673 50 0 HJAARN Cc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(CCC(C)C)C3=O)o1 ZINC000021526789 568709407 /nfs/dbraw/zinc/70/94/07/568709407.db2.gz LNDDUBNQJKMMGF-DEOSSOPVSA-N 0 0 413.562 4.642 50 0 HJAARN CCOC(=O)c1c(NC(=O)N2CCn3c(C)ccc3[C@H]2CC)sc2c1CCCC2 ZINC000021525808 568709469 /nfs/dbraw/zinc/70/94/69/568709469.db2.gz BKOMRFATGROQOX-MRXNPFEDSA-N 0 0 415.559 4.912 50 0 HJAARN O=C(CSc1nnc(-c2ccccc2Br)o1)Nc1ccc(Cl)cc1 ZINC000000851206 568712050 /nfs/dbraw/zinc/71/20/50/568712050.db2.gz FMNATVDAEZICRA-UHFFFAOYSA-N 0 0 424.707 4.883 50 0 HJAARN Cc1cc2nc(-c3cc(NC(=O)c4ccc5c(c4)OCCO5)ccc3O)oc2cc1C ZINC000000850283 568712174 /nfs/dbraw/zinc/71/21/74/568712174.db2.gz SLDZEBAJDNMGGQ-UHFFFAOYSA-N 0 0 416.433 4.841 50 0 HJAARN CCOc1ccc(NC(=O)c2cnc3c(-c4ccc(F)cc4)c(C)nn3c2C)cc1 ZINC000021537866 568713044 /nfs/dbraw/zinc/71/30/44/568713044.db2.gz KLPYZDPYPHFZSV-UHFFFAOYSA-N 0 0 404.445 4.803 50 0 HJAARN Cc1cc(C)c2c(-n3cccc3)nn(CCCC(=O)Nc3cccc(Cl)c3)c2n1 ZINC000021539964 568713218 /nfs/dbraw/zinc/71/32/18/568713218.db2.gz YTEIDAILUGBILT-UHFFFAOYSA-N 0 0 407.905 4.911 50 0 HJAARN Cc1nn(-c2ccccc2)c2c1[C@@]1(C)C[C@@](C)(O2)c2c(C)nn(-c3ccccc3)c2O1 ZINC000000858237 568713475 /nfs/dbraw/zinc/71/34/75/568713475.db2.gz BSONLUOANXJZKZ-JWQCQUIFSA-N 0 0 412.493 4.980 50 0 HJAARN C[C@H]1c2nc3ccccc3c(=O)n2[C@@H](c2ccc(O)cc2)N1c1ccc(Cl)cc1 ZINC000096274188 568714051 /nfs/dbraw/zinc/71/40/51/568714051.db2.gz FVUWGTIWNQRDBE-FPTDNZKUSA-N 0 0 403.869 4.884 50 0 HJAARN CCOc1ccc([C@H](CC(=O)N2CCOCC2)c2c[nH]c3c2cccc3CC)cc1 ZINC000096275838 568714744 /nfs/dbraw/zinc/71/47/44/568714744.db2.gz ONIVERJINQOMIU-QFIPXVFZSA-N 0 0 406.526 4.510 50 0 HJAARN CC[C@@H](C)[C@@H](NC(=O)COCc1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000096276098 568715010 /nfs/dbraw/zinc/71/50/10/568715010.db2.gz ITMNYIXIDBBYNS-FOIQADDNSA-N 0 0 413.905 4.810 50 0 HJAARN CC[C@@H](C)[C@@H](NC(=O)COCc1ccccc1)c1nc(-c2cccc(Cl)c2)no1 ZINC000096276147 568715091 /nfs/dbraw/zinc/71/50/91/568715091.db2.gz VFLSQFSOYWHDLQ-FOIQADDNSA-N 0 0 413.905 4.810 50 0 HJAARN O=C(C[C@H](c1c[nH]c2ccc(Cl)cc21)c1cccc(Cl)c1)N1CCOCC1 ZINC000096277874 568716331 /nfs/dbraw/zinc/71/63/31/568716331.db2.gz PMTKZEUKTVHWJH-KRWDZBQOSA-N 0 0 403.309 4.856 50 0 HJAARN Cc1nn2c(nnc3c2ccn([C@@H]2CCC[C@H](C)[C@H]2C)c3=O)c1-c1ccc(F)cc1 ZINC000230026068 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Cc1c2cc(C)ccc2[nH]c1-c1nc(CCN(C)C(=O)Cc2ccccc2Cl)no1 ZINC000096349724 568738377 /nfs/dbraw/zinc/73/83/77/568738377.db2.gz YOFGTZJOLHMVRY-UHFFFAOYSA-N 0 0 422.916 4.732 50 0 HJAARN Cc1c2cc(C)ccc2[nH]c1-c1nc(CCN(C)C(=O)c2ccc(C)c(C)c2)no1 ZINC000096349710 568738385 /nfs/dbraw/zinc/73/83/85/568738385.db2.gz CAIHDZKSVQHUGP-UHFFFAOYSA-N 0 0 402.498 4.766 50 0 HJAARN Cc1ccc(C(=O)N(C)CCc2noc(-c3cc4cc(Cl)ccc4[nH]3)n2)cc1F ZINC000096349898 568738544 /nfs/dbraw/zinc/73/85/44/568738544.db2.gz QADWHPIFEXPVEW-UHFFFAOYSA-N 0 0 412.852 4.634 50 0 HJAARN C[C@@H](OC(=O)c1ccc(Cl)cc1F)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000018807597 568741281 /nfs/dbraw/zinc/74/12/81/568741281.db2.gz OTWZRKXOPNJDFZ-LLVKDONJSA-N 0 0 404.850 4.787 50 0 HJAARN COc1ccc(CNC(=O)c2cc(-c3ccncc3)cn2Cc2ccc(C)cc2)cc1 ZINC000096386189 568742708 /nfs/dbraw/zinc/74/27/08/568742708.db2.gz YUOMAXIHIPFCQK-UHFFFAOYSA-N 0 0 411.505 4.845 50 0 HJAARN O=C(Nc1ccsc1-c1nc(-c2cccc(F)c2)no1)c1n[nH]c2ccccc21 ZINC000096386755 568743417 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COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)Cc2cccs2)cc1 ZINC000021715570 568749568 /nfs/dbraw/zinc/74/95/68/568749568.db2.gz MUBBUUCKODMDJH-XMMPIXPASA-N 0 0 402.519 4.955 50 0 HJAARN Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(CNc3ccc(Cl)cc3)n2C)cc1 ZINC000000906753 568749764 /nfs/dbraw/zinc/74/97/64/568749764.db2.gz AUQCAJBTDKKKGX-CQSZACIVSA-N 0 0 415.950 4.508 50 0 HJAARN CCOc1ccc(-c2c(C)[nH]nc2NC(=O)CCc2cccc(OC)c2)cc1OCC ZINC000096400562 568749840 /nfs/dbraw/zinc/74/98/40/568749840.db2.gz YWDAVPJKMCCKBO-UHFFFAOYSA-N 0 0 423.513 4.762 50 0 HJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)Nc1ccccc1 ZINC000000909657 568749982 /nfs/dbraw/zinc/74/99/82/568749982.db2.gz YEVJYPPMFSNQIY-UHFFFAOYSA-N 0 0 421.909 4.770 50 0 HJAARN O=C(CCCCCCCCCCN1C(=O)c2ccccc2C1=O)Nc1ccccn1 ZINC000015081076 568750268 /nfs/dbraw/zinc/75/02/68/568750268.db2.gz ATLVPVDZYNNXSN-UHFFFAOYSA-N 0 0 407.514 4.827 50 0 HJAARN Cc1ccc(NC(=O)CCc2nc(CSc3nc4ccccc4o3)no2)c(C)c1 ZINC000021721592 568750830 /nfs/dbraw/zinc/75/08/30/568750830.db2.gz DCVDQOPZCCYZFZ-UHFFFAOYSA-N 0 0 408.483 4.691 50 0 HJAARN CCc1cccc(C)c1NC(=O)C1CCN(Cc2noc(-c3ccc(C)cc3)n2)CC1 ZINC000021724491 568750995 /nfs/dbraw/zinc/75/09/95/568750995.db2.gz NDKSOFFOKIMQJZ-UHFFFAOYSA-N 0 0 418.541 4.767 50 0 HJAARN Cc1ccc(-c2nc(CN3CCC[C@H](C(=O)Nc4c(C)cc(C)cc4C)C3)no2)cc1 ZINC000021724863 568751183 /nfs/dbraw/zinc/75/11/83/568751183.db2.gz AMOFVIHIIUWMLA-NRFANRHFSA-N 0 0 418.541 4.821 50 0 HJAARN Cc1ccc(-c2nc(CN3CCC[C@H](C(=O)Nc4cccc(C)c4C)C3)no2)cc1 ZINC000021724832 568751189 /nfs/dbraw/zinc/75/11/89/568751189.db2.gz AAUJYKYDJLBZEB-FQEVSTJZSA-N 0 0 404.514 4.513 50 0 HJAARN Cc1ccc(-c2nc(CN3CCC[C@H](C(=O)Nc4cc(Cl)ccc4C)C3)no2)cc1 ZINC000021724807 568751382 /nfs/dbraw/zinc/75/13/82/568751382.db2.gz GGMZVKBUHRFLSN-SFHVURJKSA-N 0 0 424.932 4.858 50 0 HJAARN Cc1ccc(-c2nc3ccccc3c3nnc(SCC(=O)NCCC(C)C)n32)cc1 ZINC000021727320 568751773 /nfs/dbraw/zinc/75/17/73/568751773.db2.gz WDQBWMJLLFTELS-UHFFFAOYSA-N 0 0 419.554 4.507 50 0 HJAARN CC[C@@H](Sc1nccn(-c2cccc(C)c2)c1=O)C(=O)Nc1cc(C)ccc1C ZINC000021729642 568751995 /nfs/dbraw/zinc/75/19/95/568751995.db2.gz VQVYEWDFQOBFNJ-HXUWFJFHSA-N 0 0 407.539 4.667 50 0 HJAARN O=C(/C=C/c1ccccc1)NC(=C(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000000941195 568753070 /nfs/dbraw/zinc/75/30/70/568753070.db2.gz WVRGLWKKAMLWRD-IZZDOVSWSA-N 0 0 416.713 4.548 50 0 HJAARN COc1ccc(-c2noc(-c3cccc(NC(=O)COc4ccc(C)cc4)c3)n2)cc1 ZINC000021792303 568753187 /nfs/dbraw/zinc/75/31/87/568753187.db2.gz PVFHGXLTPJHQHU-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN O=C(CCSc1nnc2ccccn21)Nc1cc(C(F)(F)F)ccc1Cl ZINC000000942362 568753553 /nfs/dbraw/zinc/75/35/53/568753553.db2.gz BMUXAFZISHDTLW-UHFFFAOYSA-N 0 0 400.813 4.522 50 0 HJAARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2nc(-c3ccccc3)nc2N1 ZINC000000949447 568755393 /nfs/dbraw/zinc/75/53/93/568755393.db2.gz HSIRKTQTXZOXRC-QFIPXVFZSA-N 0 0 407.477 4.873 50 0 HJAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c(-c3ccco3)ccc2C(=O)N1C1CCCC1 ZINC000021864514 568755666 /nfs/dbraw/zinc/75/56/66/568755666.db2.gz UNYDVMIWPVZBOZ-VWLOTQADSA-N 0 0 423.557 4.744 50 0 HJAARN Cc1ccccc1N1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021863756 568755709 /nfs/dbraw/zinc/75/57/09/568755709.db2.gz ZIAHHXCMOJJPCT-RUZDIDTESA-N 0 0 417.509 4.534 50 0 HJAARN CCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2ccc(C)c(Cl)c2)C1 ZINC000086077323 568756181 /nfs/dbraw/zinc/75/61/81/568756181.db2.gz CNFQSXDSONGCMS-INIZCTEOSA-N 0 0 424.932 4.845 50 0 HJAARN COc1ccc(NC(=O)c2ccc(OC(=O)COc3cc(C)ccc3C)cc2)cc1 ZINC000000958613 568758057 /nfs/dbraw/zinc/75/80/57/568758057.db2.gz PXHKMPXOXYJFPL-UHFFFAOYSA-N 0 0 405.450 4.549 50 0 HJAARN CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCCc1ccc(OC)c(OC)c1 ZINC000000953635 568758577 /nfs/dbraw/zinc/75/85/77/568758577.db2.gz UMDQJXBZLOEPNB-UHFFFAOYSA-N 0 0 408.498 4.700 50 0 HJAARN CCOC(=O)C1CCC(CNC(=O)N2Cc3ccccc3-n3cccc3[C@H]2CC)CC1 ZINC000021890261 568759131 /nfs/dbraw/zinc/75/91/31/568759131.db2.gz VQZOCLKJMXCTLA-GZNCHQMQSA-N 0 0 423.557 4.823 50 0 HJAARN Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)Cc1ccc(Cl)cc1 ZINC000000974219 568759391 /nfs/dbraw/zinc/75/93/91/568759391.db2.gz WCLCYRXUDJJPOU-UHFFFAOYSA-N 0 0 410.823 4.930 50 0 biogenic HJAARN COc1ccc(/C=C2/SC(=O)N(CNc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000000975890 568759532 /nfs/dbraw/zinc/75/95/32/568759532.db2.gz JUOWQLYRWKPKIH-CXUHLZMHSA-N 0 0 408.401 4.820 50 0 HJAARN CCOCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1cccc(C)c1 ZINC000021893456 568759786 /nfs/dbraw/zinc/75/97/86/568759786.db2.gz NMKLEYNUCSPQRW-XMMPIXPASA-N 0 0 403.526 4.827 50 0 HJAARN COc1ccc([C@H]2C(=O)c3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cc1OC ZINC000000980136 568760331 /nfs/dbraw/zinc/76/03/31/568760331.db2.gz XRISBRYUSHBIJR-BJKOFHAPSA-N 0 0 404.462 4.833 50 0 HJAARN Cc1cccc(-c2nnc(SCC(=O)Nc3cc(C)ccn3)n2-c2ccccc2)c1 ZINC000000997551 568760922 /nfs/dbraw/zinc/76/09/22/568760922.db2.gz FYXNUWXMMJTUOB-UHFFFAOYSA-N 0 0 415.522 4.677 50 0 HJAARN COc1cc(/C=C2/N=C(c3cccc(F)c3)OC2=O)ccc1OCc1cccc(F)c1 ZINC000000998058 568761027 /nfs/dbraw/zinc/76/10/27/568761027.db2.gz CNQZJSZGKQSABC-RGVLZGJSSA-N 0 0 421.399 4.897 50 0 HJAARN COc1ccc(/C=C/C(=O)Nc2c(C)nn(Cc3ccc(C)cc3)c2C)cc1OC ZINC000001000940 568761492 /nfs/dbraw/zinc/76/14/92/568761492.db2.gz YIHAJHVLMSAJLR-ACCUITESSA-N 0 0 405.498 4.526 50 0 HJAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(Br)o1 ZINC000001002205 568762243 /nfs/dbraw/zinc/76/22/43/568762243.db2.gz XBBBHPZKLFQZPJ-UHFFFAOYSA-N 0 0 422.282 4.825 50 0 HJAARN COc1ccc(C2=Nc3ccccc3N3C(=O)c4c(ccc(OC)c4OC)[C@H]3C2)cc1 ZINC000001030758 568764287 /nfs/dbraw/zinc/76/42/87/568764287.db2.gz GCVXWHYCNVYROO-OAQYLSRUSA-N 0 0 414.461 4.938 50 0 biogenic HJAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)O[C@@H](C)C(=O)N1CCCCCC1 ZINC000022000561 568764369 /nfs/dbraw/zinc/76/43/69/568764369.db2.gz PFIABKRITNEBSA-AWEZNQCLSA-N 0 0 406.935 4.720 50 0 HJAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4)C(=O)N32)cc1 ZINC000001071010 568765594 /nfs/dbraw/zinc/76/55/94/568765594.db2.gz RRNYXZXVIKHUQD-UPVQGACJSA-N 0 0 423.472 4.659 50 0 HJAARN Cc1ccc(S(=O)(=O)NC[C@@H](Nc2cccc(Cl)c2)c2ccccc2)cc1 ZINC000001068226 568766816 /nfs/dbraw/zinc/76/68/16/568766816.db2.gz FQWOJNQDLFSGPY-OAQYLSRUSA-N 0 0 400.931 4.780 50 0 HJAARN O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)N[C@H]1CCc2[nH]c3ccc(Br)cc3c2C1 ZINC000022352787 568766821 /nfs/dbraw/zinc/76/68/21/568766821.db2.gz ZHCSRBMJNSNZMR-CTASWTNQSA-N 0 0 401.348 4.730 50 0 HJAARN O=C(Nc1cnc2ccccc2c1)C1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000022494371 568768744 /nfs/dbraw/zinc/76/87/44/568768744.db2.gz WVNDRXPZSRBACG-UHFFFAOYSA-N 0 0 415.522 4.608 50 0 HJAARN NC(=O)c1cc(N2CCCCC2)ccc1NCc1ncc(-c2cccc(Cl)c2)o1 ZINC000097220738 568769892 /nfs/dbraw/zinc/76/98/92/568769892.db2.gz JUVMDSYKKQLZBS-UHFFFAOYSA-N 0 0 410.905 4.696 50 0 HJAARN CN(Cc1ccc(C(F)(F)F)cc1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S ZINC000052569676 568770295 /nfs/dbraw/zinc/77/02/95/568770295.db2.gz GJRJSWSDDKZFOR-UHFFFAOYSA-N 0 0 419.476 4.919 50 0 HJAARN O=C(Nc1cccc(Cl)c1)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000002466528 568772572 /nfs/dbraw/zinc/77/25/72/568772572.db2.gz FXTXQUGYSUSYMV-YADHBBJMSA-N 0 0 402.881 4.816 50 0 HJAARN O=C(Nc1cccc(Cl)c1)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000002466530 568772593 /nfs/dbraw/zinc/77/25/93/568772593.db2.gz FXTXQUGYSUSYMV-FGZHOGPDSA-N 0 0 402.881 4.816 50 0 HJAARN O=C(Nc1ccc(F)cc1Cl)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000002466567 568772733 /nfs/dbraw/zinc/77/27/33/568772733.db2.gz OUWKWZBNPWQLBG-VXKWHMMOSA-N 0 0 420.871 4.955 50 0 HJAARN COc1ccc(CN2COc3c(C)c4oc(=O)c5c(c4cc3C2)CCCCC5)cc1 ZINC000055393831 568773597 /nfs/dbraw/zinc/77/35/97/568773597.db2.gz WYUDEDNDMYSITL-UHFFFAOYSA-N 0 0 405.494 4.731 50 0 biogenic HJAARN FC(F)(F)Oc1ccc(Nc2ncncc2-c2nc(-c3ccsc3)no2)cc1 ZINC000225579577 568774649 /nfs/dbraw/zinc/77/46/49/568774649.db2.gz KDWLFUDUYCZWIB-UHFFFAOYSA-N 0 0 405.361 4.897 50 0 HJAARN CC(C)c1ccc(NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 ZINC000001161536 568775515 /nfs/dbraw/zinc/77/55/15/568775515.db2.gz UFHBQAFOTXNYLC-UHFFFAOYSA-N 0 0 415.342 4.522 50 0 HJAARN Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)c1cc(C)cc(C)c1)CC(=O)N2 ZINC000002494081 568776222 /nfs/dbraw/zinc/77/62/22/568776222.db2.gz HUCJGHCUKIVJCG-XMMPIXPASA-N 0 0 402.469 4.935 50 0 HJAARN O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2)c1cc2ccccc2s1 ZINC000225620036 568776755 /nfs/dbraw/zinc/77/67/55/568776755.db2.gz NJGIBYVIEBPAEH-QGZVFWFLSA-N 0 0 406.507 4.931 50 0 HJAARN Nc1c(C(=O)Nc2ccccc2)sc2sc(C(=O)Nc3ccccc3)c(N)c12 ZINC000002504082 568777554 /nfs/dbraw/zinc/77/75/54/568777554.db2.gz ASJKDHQNDVSWCG-UHFFFAOYSA-N 0 0 408.508 4.632 50 0 HJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC[C@H](c2ccc3c(c2)OCO3)C1 ZINC000225676689 568778681 /nfs/dbraw/zinc/77/86/81/568778681.db2.gz MPIAWOZZKIDCGA-HNNXBMFYSA-N 0 0 410.857 4.662 50 0 HJAARN O=C(NCCc1ccccc1F)c1ccccc1SCc1cn2ccccc2n1 ZINC000028436188 568784997 /nfs/dbraw/zinc/78/49/97/568784997.db2.gz XEGRYRYTHPNGCD-UHFFFAOYSA-N 0 0 405.498 4.738 50 0 HJAARN CCN(CC)c1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000002617302 568785876 /nfs/dbraw/zinc/78/58/76/568785876.db2.gz PASDYZCFKJPIII-CQSZACIVSA-N 0 0 408.420 4.736 50 0 HJAARN COc1ccc(CC(=O)OCC(=O)Nc2ccccc2Sc2ccccc2)cc1 ZINC000002619776 568787096 /nfs/dbraw/zinc/78/70/96/568787096.db2.gz XZMIBAUBFGKFCU-UHFFFAOYSA-N 0 0 407.491 4.571 50 0 HJAARN COc1cc(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc(OC)c1OC ZINC000002621154 568787783 /nfs/dbraw/zinc/78/77/83/568787783.db2.gz ZWBAQFXYMXGBEA-UHFFFAOYSA-N 0 0 403.784 4.566 50 0 HJAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(Nc3ccc(C)cc3)s2)c1C ZINC000002627595 568789616 /nfs/dbraw/zinc/78/96/16/568789616.db2.gz KRXQKFGTTHSEES-UHFFFAOYSA-N 0 0 400.529 4.713 50 0 HJAARN O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)NC1CCCCC1 ZINC000002636018 568792247 /nfs/dbraw/zinc/79/22/47/568792247.db2.gz WEQZBBDHYNNQAO-UHFFFAOYSA-N 0 0 418.632 4.977 50 0 HJAARN COc1ccc(C(=O)[C@H](C)OC(=O)c2ccccc2C(=O)c2ccc(C)cc2)cc1 ZINC000002639669 568793216 /nfs/dbraw/zinc/79/32/16/568793216.db2.gz XNGSIAYNQXAHNX-KRWDZBQOSA-N 0 0 402.446 4.663 50 0 HJAARN O=C(Nc1ccccc1C(=O)OCc1ccc(Br)cc1)c1ccco1 ZINC000002644659 568794587 /nfs/dbraw/zinc/79/45/87/568794587.db2.gz NJVDGZFKJZFYGX-UHFFFAOYSA-N 0 0 400.228 4.651 50 0 HJAARN Cc1ccccc1-c1nnc(SCC(=O)Nc2nc(C)c(Cl)cc2Cl)n1C ZINC000002650419 568796233 /nfs/dbraw/zinc/79/62/33/568796233.db2.gz ZPTHAVPYYQAERZ-UHFFFAOYSA-N 0 0 422.341 4.532 50 0 HJAARN Cc1cc(C(=O)COC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1C[C@H]1CCCO1 ZINC000002655564 568797741 /nfs/dbraw/zinc/79/77/41/568797741.db2.gz PTSVKSRMFUUZJH-OAHLLOKOSA-N 0 0 410.297 4.630 50 0 HJAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)NCc1cccs1 ZINC000002660779 568799174 /nfs/dbraw/zinc/79/91/74/568799174.db2.gz LOFYOCKZFDYFFB-UHFFFAOYSA-N 0 0 424.526 4.543 50 0 HJAARN COc1cc2c(cc1OC)n(Cc1ccccc1)cc(C(=O)c1ccc(C)cc1)c2=O ZINC000002691212 568801093 /nfs/dbraw/zinc/80/10/93/568801093.db2.gz SUMAKBLVWRBFRD-UHFFFAOYSA-N 0 0 413.473 4.606 50 0 HJAARN COc1ccc(C(=O)c2cn(Cc3ccccc3F)c3ccc(C)cc3c2=O)cc1 ZINC000002691847 568801358 /nfs/dbraw/zinc/80/13/58/568801358.db2.gz JMFFYXPODBPAAM-UHFFFAOYSA-N 0 0 401.437 4.737 50 0 HJAARN COc1cccc(C(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@H]2c2ccccc2)c1 ZINC000002724571 568803655 /nfs/dbraw/zinc/80/36/55/568803655.db2.gz OQOSISZPJQDJMU-JOCHJYFZSA-N 0 0 406.869 4.533 50 0 HJAARN FC(F)C(F)(F)Oc1cccc(-c2nc3c4c5c(sc4ncn3n2)CCC5)c1 ZINC000002786912 568808989 /nfs/dbraw/zinc/80/89/89/568808989.db2.gz PUZFGTDTBAWXBY-UHFFFAOYSA-N 0 0 408.380 4.731 50 0 HJAARN CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)N[C@@H](C)c2ccccc2)c1C ZINC000002928829 568817948 /nfs/dbraw/zinc/81/79/48/568817948.db2.gz RHKPKCNHHNGJTQ-SFHVURJKSA-N 0 0 404.510 4.908 50 0 HJAARN CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)Nc2cc(C)ccc2OC)c1C ZINC000002929065 568818139 /nfs/dbraw/zinc/81/81/39/568818139.db2.gz XBXZHMOTDXFWNQ-UHFFFAOYSA-N 0 0 420.509 4.986 50 0 HJAARN COc1ccc(C2=N/C(=C\c3ccc(C(C)C)cc3)C(=O)O2)c(Br)c1 ZINC000002945500 568819787 /nfs/dbraw/zinc/81/97/87/568819787.db2.gz ZCDXRYRASOIAMU-ZDLGFXPLSA-N 0 0 400.272 4.926 50 0 HJAARN CCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3ccc(C(F)(F)F)cc3)oc2c1 ZINC000001193551 568823026 /nfs/dbraw/zinc/82/30/26/568823026.db2.gz AYHUCNIZUIAASE-QOMWVZHYSA-N 0 0 403.404 4.629 50 0 HJAARN CC1=C(C(=O)OC2CCCCCCC2)[C@H](c2ccccc2Br)NC(=O)N1 ZINC000001193779 568823048 /nfs/dbraw/zinc/82/30/48/568823048.db2.gz BOBIVWSCIOTQQM-SFHVURJKSA-N 0 0 421.335 4.733 50 0 HJAARN Cc1ccc(-c2csc3[nH]c(CN4CCC[C@H]4c4cccn4C)nc(=O)c23)s1 ZINC000057292113 568826105 /nfs/dbraw/zinc/82/61/05/568826105.db2.gz AGKXGVQDRHKCCJ-INIZCTEOSA-N 0 0 410.568 4.697 50 0 HJAARN COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cc(SC)ccc1Cl ZINC000005860539 568826267 /nfs/dbraw/zinc/82/62/67/568826267.db2.gz SJFHIAZUHQBCLD-UHFFFAOYSA-N 0 0 414.310 4.828 50 0 HJAARN CCC1(CC)Cc2ccccc2-c2c1c(=O)n(Cc1ccccc1)c1nnc(S)n12 ZINC000005864687 568826884 /nfs/dbraw/zinc/82/68/84/568826884.db2.gz OAKUHPBZDNSOIF-UHFFFAOYSA-N 0 0 416.550 4.509 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1n[nH]c(-c2ccc(C)cc2)n1 ZINC000005867228 568826947 /nfs/dbraw/zinc/82/69/47/568826947.db2.gz UMIZDCDVADAIEM-GFCCVEGCSA-N 0 0 402.907 4.561 50 0 HJAARN Cc1ccc(-c2nc(S[C@@H](C)C(=O)c3ccc(Br)cc3)n[nH]2)cc1 ZINC000005867468 568827019 /nfs/dbraw/zinc/82/70/19/568827019.db2.gz NXQVQJMUQSAIDE-LBPRGKRZSA-N 0 0 402.317 4.906 50 0 HJAARN CC(C)(C)c1ccc([C@]2(C)NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 ZINC000005866241 568827050 /nfs/dbraw/zinc/82/70/50/568827050.db2.gz RYWZNLWCNRCBPA-NRFANRHFSA-N 0 0 415.331 4.714 50 0 HJAARN O=C(NCc1ccc(COCC(F)(F)F)cc1)NC1CCC(C(F)(F)F)CC1 ZINC000029725819 568828687 /nfs/dbraw/zinc/82/86/87/568828687.db2.gz KACPGNXQZNGLKF-UHFFFAOYSA-N 0 0 412.374 4.686 50 0 HJAARN Cc1nnc(SCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1-c1cccc(C)c1 ZINC000005898657 568828820 /nfs/dbraw/zinc/82/88/20/568828820.db2.gz BGEULRNCUYQDJF-PWIZWCRZSA-N 0 0 401.576 4.980 50 0 HJAARN Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCN(c3ccccc3O)CC2)c1 ZINC000057406251 568832810 /nfs/dbraw/zinc/83/28/10/568832810.db2.gz KZPMPXXJBUHUBU-VWLOTQADSA-N 0 0 415.537 4.511 50 0 HJAARN Cc1ccc(N2CCN(C(=O)c3cc(-c4cccc5ccccc54)n[nH]3)CC2)c(C)c1 ZINC000057413427 568833349 /nfs/dbraw/zinc/83/33/49/568833349.db2.gz AKTCRUIEJWGQDC-UHFFFAOYSA-N 0 0 410.521 4.809 50 0 HJAARN O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)c1ccc(-c2ccccc2)cc1 ZINC000005993007 568834619 /nfs/dbraw/zinc/83/46/19/568834619.db2.gz ARCIJLIIILLGRL-UHFFFAOYSA-N 0 0 408.383 4.909 50 0 HJAARN COc1cc(/C=C\C(=O)Nc2ccc3c(c2)OCO3)ccc1OCc1ccccc1 ZINC000006005210 568835079 /nfs/dbraw/zinc/83/50/79/568835079.db2.gz FVAUYCRIJPUCJC-WQLSENKSSA-N 0 0 403.434 4.655 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)CSc1nc2ccsc2c(=O)n1CC(C)C ZINC000057426254 568835161 /nfs/dbraw/zinc/83/51/61/568835161.db2.gz BJEHRAZYGWSUGK-UHFFFAOYSA-N 0 0 421.975 4.807 50 0 HJAARN FC(F)(F)c1nc2ccccc2c(SCc2nc(Cc3ccccc3)no2)n1 ZINC000031652793 568837309 /nfs/dbraw/zinc/83/73/09/568837309.db2.gz GPXGPVJDKNHAQG-UHFFFAOYSA-N 0 0 402.401 4.915 50 0 HJAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCc1nc(-c2ccccc2)oc1C ZINC000012475531 568838643 /nfs/dbraw/zinc/83/86/43/568838643.db2.gz MRIPTUSJTJGUCH-UHFFFAOYSA-N 0 0 401.466 4.869 50 0 HJAARN O=C(Nc1ccccc1Br)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000057477014 568839478 /nfs/dbraw/zinc/83/94/78/568839478.db2.gz CZSWLNWIPXDZJV-UHFFFAOYSA-N 0 0 421.092 4.854 50 0 HJAARN Cc1cc(N2CCN(c3ccc(F)cc3)CC2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000057477784 568839731 /nfs/dbraw/zinc/83/97/31/568839731.db2.gz AXPJBDKQIPVHCZ-UHFFFAOYSA-N 0 0 416.422 4.937 50 0 HJAARN CC(C)c1ccc(C(=O)Cn2nc(-c3ccccc3Br)ccc2=O)cc1 ZINC000057486324 568842084 /nfs/dbraw/zinc/84/20/84/568842084.db2.gz DMVUJZFUEDJVDC-UHFFFAOYSA-N 0 0 411.299 4.679 50 0 HJAARN CCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3cccc(C(F)(F)F)c3)oc2c1 ZINC000012524306 568842438 /nfs/dbraw/zinc/84/24/38/568842438.db2.gz SOCPLENLCOJFFD-QOMWVZHYSA-N 0 0 403.404 4.629 50 0 HJAARN O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)Nc1ccc(F)c(F)c1 ZINC000057487263 568842977 /nfs/dbraw/zinc/84/29/77/568842977.db2.gz WTCRKOAWLYQAFR-UHFFFAOYSA-N 0 0 414.799 4.775 50 0 HJAARN Cc1ccc(NC(=O)C(C)C)cc1S(=O)(=O)Nc1ccc(SC(F)F)cc1 ZINC000012526045 568843086 /nfs/dbraw/zinc/84/30/86/568843086.db2.gz XVXIPYTWQHSMLW-UHFFFAOYSA-N 0 0 414.499 4.705 50 0 HJAARN C[C@@H](OC(=O)c1n[nH]c2ccccc21)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000012535046 568845092 /nfs/dbraw/zinc/84/50/92/568845092.db2.gz WXDBOLLWFBPXHF-MRVPVSSYSA-N 0 0 412.660 4.707 50 0 HJAARN Cc1ccc(C)c(Cc2c(C)nc3c(C(=O)NC4CCC(C)CC4)cnn3c2C)c1 ZINC000003035110 568845547 /nfs/dbraw/zinc/84/55/47/568845547.db2.gz HFMODFBFFGYYHY-UHFFFAOYSA-N 0 0 404.558 4.862 50 0 HJAARN Cc1ccc(CNC(=O)c2cnn3c2nc(-c2ccccc2)cc3C(F)(F)F)cc1 ZINC000003035095 568845559 /nfs/dbraw/zinc/84/55/59/568845559.db2.gz PYVDHKQWIHZUKE-UHFFFAOYSA-N 0 0 410.399 4.654 50 0 HJAARN COc1ccc(-c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)c(OC)c1 ZINC000003227447 568847352 /nfs/dbraw/zinc/84/73/52/568847352.db2.gz XSPTZXJBUPKWRN-UHFFFAOYSA-N 0 0 410.282 4.781 50 0 HJAARN CCOc1ccc(C(=O)CSc2nnc(-c3ccc(Br)cc3)o2)cc1 ZINC000003232636 568847867 /nfs/dbraw/zinc/84/78/67/568847867.db2.gz BTPCLHXXQZFCAT-UHFFFAOYSA-N 0 0 419.300 4.873 50 0 HJAARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000012540959 568848087 /nfs/dbraw/zinc/84/80/87/568848087.db2.gz ZRPDKEPPDCLXJB-HXUWFJFHSA-N 0 0 419.506 4.873 50 0 HJAARN COc1cc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc(Cl)c1OC(C)C ZINC000012541489 568848548 /nfs/dbraw/zinc/84/85/48/568848548.db2.gz XYLJKWBCILKLIB-OAHLLOKOSA-N 0 0 413.905 4.813 50 0 HJAARN COc1ccc(CCC2CCN(C(=O)c3cncn3-c3ccc(F)cc3)CC2)cc1 ZINC000012541432 568848570 /nfs/dbraw/zinc/84/85/70/568848570.db2.gz ZFFXDCDMDKHKDU-UHFFFAOYSA-N 0 0 407.489 4.505 50 0 HJAARN O=C(CSc1nnc2sc3ccccc3n12)Nc1cc(Cl)cc(Cl)c1 ZINC000003269041 568849649 /nfs/dbraw/zinc/84/96/49/568849649.db2.gz CSSUOQKUWTVMSO-UHFFFAOYSA-N 0 0 409.323 4.982 50 0 HJAARN CSCC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)c1nc2ccccc2[nH]1 ZINC000012546427 568850548 /nfs/dbraw/zinc/85/05/48/568850548.db2.gz MVBJPCAAQMDHQS-KDOFPFPSSA-N 0 0 417.962 4.903 50 0 HJAARN CC(C)N(Cc1ccccc1)C(=O)COc1ncnc2sc3c(c21)CC[C@H](C)C3 ZINC000003280240 568850876 /nfs/dbraw/zinc/85/08/76/568850876.db2.gz PWAJMGBZFBIETJ-INIZCTEOSA-N 0 0 409.555 4.632 50 0 HJAARN O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)c1ccc(F)cc1 ZINC000003059261 568852060 /nfs/dbraw/zinc/85/20/60/568852060.db2.gz KKRUSVROXKTHPW-UHFFFAOYSA-N 0 0 410.495 4.620 50 0 HJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](c1nccn1C)c1ccccc1F ZINC000012549659 568852115 /nfs/dbraw/zinc/85/21/15/568852115.db2.gz DBVPDFWZAJRLKU-KZULUSFZSA-N 0 0 422.287 4.539 50 0 HJAARN O=C(c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2)N1CCc2ccccc2C1 ZINC000003063979 568853254 /nfs/dbraw/zinc/85/32/54/568853254.db2.gz SESLPUYGMDBMSK-UCQKPKSFSA-N 0 0 412.514 4.970 50 0 HJAARN COc1ccc(-n2cnn(CN(C)[C@H](C)c3nc4ccccc4s3)c2=S)cc1 ZINC000012551312 568853483 /nfs/dbraw/zinc/85/34/83/568853483.db2.gz NHGBHZKUGGTQGA-CQSZACIVSA-N 0 0 411.556 4.672 50 0 HJAARN CCN(CC)c1ccc(-c2nnc(S[C@H](C(=O)N(C)C)c3ccccc3)o2)cc1 ZINC000012552068 568853955 /nfs/dbraw/zinc/85/39/55/568853955.db2.gz HTPORIICLUICBV-IBGZPJMESA-N 0 0 410.543 4.504 50 0 HJAARN CCOC(=O)c1ccc(NP(=O)(OCC(F)(F)F)OCC(F)(F)F)cc1 ZINC000003087175 568854529 /nfs/dbraw/zinc/85/45/29/568854529.db2.gz RQEPNANMZZZEKO-UHFFFAOYSA-N 0 0 409.219 4.541 50 0 HJAARN COC(=O)c1ccccc1S[C@@H](C)C(=O)NCCSc1ccc(Cl)cc1 ZINC000003104388 568855511 /nfs/dbraw/zinc/85/55/11/568855511.db2.gz NNJWKBGHTKVBJO-ZDUSSCGKSA-N 0 0 409.960 4.516 50 0 HJAARN CN(Cc1ccc2c(c1)OCO2)C(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000057638842 568856788 /nfs/dbraw/zinc/85/67/88/568856788.db2.gz XHEDQBJBXAJRHV-ADXLDGDMSA-N 0 0 403.522 4.912 50 0 HJAARN Cc1cc(=O)oc2cc(NCc3nc(-c4cccc(C(F)(F)F)c4)no3)ccc12 ZINC000057650869 568857290 /nfs/dbraw/zinc/85/72/90/568857290.db2.gz WYPINUZENUBSJB-UHFFFAOYSA-N 0 0 401.344 4.782 50 0 HJAARN COc1ccccc1[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1nccn1C ZINC000012559992 568857343 /nfs/dbraw/zinc/85/73/43/568857343.db2.gz RCNORJSAGKTMGA-QGZVFWFLSA-N 0 0 405.285 4.647 50 0 HJAARN Cc1c(Cl)cnc(NC(=O)COC(=O)c2cc3c(s2)CC[C@H](C)C3)c1Cl ZINC000003389954 568857729 /nfs/dbraw/zinc/85/77/29/568857729.db2.gz YMGQRBKBOQRJNY-VIFPVBQESA-N 0 0 413.326 4.679 50 0 aggregator HJAARN O=C(CNc1ccc2ccccc2c1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000057697331 568858389 /nfs/dbraw/zinc/85/83/89/568858389.db2.gz LGYYUXHYPRPBOG-JOCHJYFZSA-N 0 0 402.494 4.777 50 0 HJAARN O=C(c1ccc(F)cc1)N1CCCC[C@H](Sc2nc3ccccc3s2)C1=O ZINC000003415979 568858708 /nfs/dbraw/zinc/85/87/08/568858708.db2.gz ANAIHIOVNGBOIV-KRWDZBQOSA-N 0 0 400.500 4.749 50 0 HJAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)CSc1nc2ccccc2s1 ZINC000003430258 568859220 /nfs/dbraw/zinc/85/92/20/568859220.db2.gz BBDAXAOIZAANKI-UHFFFAOYSA-N 0 0 413.568 4.574 50 0 HJAARN O=C1OCC[C@H]1Sc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccccc1 ZINC000003444548 568859676 /nfs/dbraw/zinc/85/96/76/568859676.db2.gz HTBGFHKVBSEUFQ-QGZVFWFLSA-N 0 0 420.515 4.522 50 0 HJAARN CCc1cc2c(ncnc2SCc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)s1 ZINC000003456542 568860196 /nfs/dbraw/zinc/86/01/96/568860196.db2.gz ZEVUQMUFCXSBGI-UHFFFAOYSA-N 0 0 422.457 4.801 50 0 HJAARN O=C(COC(=O)c1cccc(-n2cccc2)c1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000012568407 568861019 /nfs/dbraw/zinc/86/10/19/568861019.db2.gz BHGJYMFLRPLPCK-RUZDIDTESA-N 0 0 424.500 4.734 50 0 HJAARN C[C@@H](Sc1nnc2ccccn21)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003496142 568861258 /nfs/dbraw/zinc/86/12/58/568861258.db2.gz UZJGWDYGHBHWSW-SECBINFHSA-N 0 0 400.813 4.521 50 0 HJAARN O=C(CSc1nnc([C@H]2COc3ccccc3O2)o1)c1ccc2ccccc2c1 ZINC000012569322 568861357 /nfs/dbraw/zinc/86/13/57/568861357.db2.gz HRPYVCGUFNJJBA-HXUWFJFHSA-N 0 0 404.447 4.710 50 0 HJAARN CCOc1ccccc1NC(=O)COC(=O)C1c2ccccc2Oc2ccccc21 ZINC000003215519 568862407 /nfs/dbraw/zinc/86/24/07/568862407.db2.gz MSAXTOHSOPNXFG-UHFFFAOYSA-N 0 0 403.434 4.505 50 0 HJAARN Fc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 ZINC000012576842 568862562 /nfs/dbraw/zinc/86/25/62/568862562.db2.gz NNYPZDZNCUZTQH-HYBUGGRVSA-N 0 0 402.425 4.839 50 0 HJAARN O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1ccc(Br)cc1 ZINC000003216377 568862649 /nfs/dbraw/zinc/86/26/49/568862649.db2.gz WFTCUWARIXTEAZ-UHFFFAOYSA-N 0 0 424.294 4.835 50 0 HJAARN O=C(CSc1nc2c(cc(Cl)cc2Cl)[nH]1)Nc1ccc2c(c1)OCCCO2 ZINC000012577724 568862725 /nfs/dbraw/zinc/86/27/25/568862725.db2.gz DVIPJWDCVRIAIA-UHFFFAOYSA-N 0 0 424.309 4.762 50 0 HJAARN CCOc1ncccc1C(=O)O[C@H](C(=O)Nc1cc(C)cc(C)c1)c1ccccc1 ZINC000003221218 568863618 /nfs/dbraw/zinc/86/36/18/568863618.db2.gz DNSIRKDTACTQLX-NRFANRHFSA-N 0 0 404.466 4.634 50 0 HJAARN COc1ccccc1C(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1C ZINC000003222433 568863682 /nfs/dbraw/zinc/86/36/82/568863682.db2.gz ARWOOEZHOGOBCX-UHFFFAOYSA-N 0 0 416.506 4.621 50 0 HJAARN CCOc1ccc([C@H]2c3cccn3CCN2C(=S)Nc2cccc(OC)c2)cc1 ZINC000003582730 568863812 /nfs/dbraw/zinc/86/38/12/568863812.db2.gz PTXOMAAXXBCOSP-QFIPXVFZSA-N 0 0 407.539 4.697 50 0 HJAARN COC(=O)c1ccc(CSc2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 ZINC000003224402 568863851 /nfs/dbraw/zinc/86/38/51/568863851.db2.gz FUNGESHUDOHBFK-UHFFFAOYSA-N 0 0 419.915 4.523 50 0 HJAARN CCCCOc1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3OC)s2)cc1 ZINC000003227457 568864200 /nfs/dbraw/zinc/86/42/00/568864200.db2.gz CONKDDFSRCVYKY-UHFFFAOYSA-N 0 0 413.499 4.654 50 0 HJAARN Cc1nc(COc2ccccc2C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)no1 ZINC000012581715 568864427 /nfs/dbraw/zinc/86/44/27/568864427.db2.gz KOLRQFUWMAGMQP-LLVKDONJSA-N 0 0 406.269 4.755 50 0 HJAARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(C(C)(C)C)cc2)N2C(=O)[C@H](C)SC2=N1 ZINC000003636572 568865125 /nfs/dbraw/zinc/86/51/25/568865125.db2.gz NUQVMKHNYPFRHH-HNAYVOBHSA-N 0 0 414.571 4.832 50 0 HJAARN Cc1ccc(-c2nc(SCC(=O)NC[C@@H]3CCCO3)[nH]c2-c2ccc(C)cc2)cc1 ZINC000012588035 568867697 /nfs/dbraw/zinc/86/76/97/568867697.db2.gz IEUTZJFVNJOFHD-FQEVSTJZSA-N 0 0 421.566 4.748 50 0 HJAARN Fc1ccc(NC(=S)NC2CCC(NC(=S)Nc3ccc(F)cc3)CC2)cc1 ZINC000003252414 568867899 /nfs/dbraw/zinc/86/78/99/568867899.db2.gz AUBHJWCBYXVNRC-UHFFFAOYSA-N 0 0 420.554 4.549 50 0 HJAARN Cc1nn(CCc2nc(-c3ccc(C)cc3)cs2)c2[nH]c(=O)cc(C(F)(F)F)c12 ZINC000003253987 568868249 /nfs/dbraw/zinc/86/82/49/568868249.db2.gz RUNXSSDQOPIDTM-UHFFFAOYSA-N 0 0 418.444 4.726 50 0 HJAARN COc1cc(C(=O)Nc2ccc3c(c2)Nc2ccccc2CC3)cc(OC)c1OC ZINC000001228638 568868588 /nfs/dbraw/zinc/86/85/88/568868588.db2.gz GFMPJDRSKOVISV-UHFFFAOYSA-N 0 0 404.466 4.807 50 0 biogenic HJAARN Cc1ccc(-c2nc(SCC(=O)N3CC[C@@H](C)Sc4ccccc43)n[nH]2)cc1 ZINC000012594777 568868745 /nfs/dbraw/zinc/86/87/45/568868745.db2.gz SKGQHCDQXQLZJM-OAHLLOKOSA-N 0 0 410.568 4.790 50 0 HJAARN CCOC(=O)C1=C2Sc3ccccc3N2[C@](c2ccccc2)(C(F)(F)F)NC1=O ZINC000003261809 568869164 /nfs/dbraw/zinc/86/91/64/568869164.db2.gz CEOJZHTZLXOHGU-LJQANCHMSA-N 0 0 420.412 4.759 50 0 HJAARN O=C(C1CCC1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000012598720 568869351 /nfs/dbraw/zinc/86/93/51/568869351.db2.gz GBDKKPPYYZYLAV-INIZCTEOSA-N 0 0 421.360 4.885 50 0 HJAARN CC(C)COc1ccc(NC(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc1Cl ZINC000030529465 568870010 /nfs/dbraw/zinc/87/00/10/568870010.db2.gz DTBRDJGYTIJQGD-UHFFFAOYSA-N 0 0 416.326 4.684 50 0 HJAARN CCCOc1c(Cl)cc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1OC ZINC000012602303 568870248 /nfs/dbraw/zinc/87/02/48/568870248.db2.gz DYAGJRVPZLOOIB-SFHVURJKSA-N 0 0 413.905 4.991 50 0 HJAARN Cc1ccc2c(c1)-c1onc(C(=O)N3CCCN(Cc4ccccc4Cl)C3)c1CO2 ZINC000057990511 568872314 /nfs/dbraw/zinc/87/23/14/568872314.db2.gz CPMNRLFRLLFPQJ-UHFFFAOYSA-N 0 0 423.900 4.501 50 0 HJAARN COc1cc(CCC(=O)N(C)C(c2ccccc2)c2ccccc2)cc(OC)c1OC ZINC000003290696 568873540 /nfs/dbraw/zinc/87/35/40/568873540.db2.gz XRWLZTUIHTUBLR-UHFFFAOYSA-N 0 0 419.521 4.893 50 0 HJAARN C[C@@H]1CCCN(C(=O)c2cc(-c3cccnc3)nn2-c2ccccc2C(F)(F)F)C1 ZINC000003292844 568873988 /nfs/dbraw/zinc/87/39/88/568873988.db2.gz SGYNHLQVXFICCS-OAHLLOKOSA-N 0 0 414.431 4.825 50 0 HJAARN CSc1nnc(CNC(=O)[C@H](c2ccccc2)C2CCCC2)n1-c1ccc(F)cc1 ZINC000299786521 568875520 /nfs/dbraw/zinc/87/55/20/568875520.db2.gz MUXVDEDCUHXZJW-OAQYLSRUSA-N 0 0 424.545 4.719 50 0 HJAARN CCOC(=O)C1CCN([C@@H](C(=O)Nc2ccc(C(C)C)cc2)c2ccccc2)CC1 ZINC000058012559 568876118 /nfs/dbraw/zinc/87/61/18/568876118.db2.gz SPEYLDMGCSNFAP-HSZRJFAPSA-N 0 0 408.542 4.765 50 0 HJAARN Cn1c(SCC(=O)Nc2ccc(SC(F)F)cc2)nnc1-c1ccccc1F ZINC000003303562 568877147 /nfs/dbraw/zinc/87/71/47/568877147.db2.gz GIWVAAFVAJQTNB-UHFFFAOYSA-N 0 0 424.473 4.667 50 0 HJAARN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)OCO2 ZINC000003313647 568878804 /nfs/dbraw/zinc/87/88/04/568878804.db2.gz KJODCLKVCNLBKV-MRXNPFEDSA-N 0 0 423.296 4.505 50 0 HJAARN O=C(COC(=O)CCC(=O)c1cccs1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000003316682 568879489 /nfs/dbraw/zinc/87/94/89/568879489.db2.gz LVQVLLKZKIXAEE-UHFFFAOYSA-N 0 0 420.701 4.853 50 0 HJAARN Cn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nc2sccc2c1=O ZINC000003325858 568881052 /nfs/dbraw/zinc/88/10/52/568881052.db2.gz BBYIFTDUWBIVNW-UHFFFAOYSA-N 0 0 423.519 4.518 50 0 HJAARN CCOc1ccc(CN(C)Cn2nc3cc(C)c4ccccc4n3c2=S)cc1OC ZINC000003338119 568883085 /nfs/dbraw/zinc/88/30/85/568883085.db2.gz KPQDQRNKRNUIBY-UHFFFAOYSA-N 0 0 422.554 4.824 50 0 HJAARN Cc1nc(CSc2nc3scc(-c4ccc(F)cc4)c3c(=O)n2C)cs1 ZINC000003341657 568883857 /nfs/dbraw/zinc/88/38/57/568883857.db2.gz PDWHCSXEIJJZFT-UHFFFAOYSA-N 0 0 403.529 4.858 50 0 HJAARN CCOc1ccc(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1 ZINC000003346345 568884621 /nfs/dbraw/zinc/88/46/21/568884621.db2.gz DLFRMOWCDBXAKS-UHFFFAOYSA-N 0 0 419.506 4.960 50 0 HJAARN O=C(COC(=O)c1ccc2ccccc2n1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000003350361 568885563 /nfs/dbraw/zinc/88/55/63/568885563.db2.gz GGUPPWHJLTXZAM-UHFFFAOYSA-N 0 0 409.656 4.991 50 0 HJAARN COc1ccc(C(C)=O)c(OC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c1 ZINC000003354031 568886403 /nfs/dbraw/zinc/88/64/03/568886403.db2.gz DHSCKZVRUIVSTH-UHFFFAOYSA-N 0 0 412.445 4.970 50 0 HJAARN COc1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1Cl ZINC000003357076 568886908 /nfs/dbraw/zinc/88/69/08/568886908.db2.gz PIFADWXDEIQCMR-HXUWFJFHSA-N 0 0 408.885 4.849 50 0 HJAARN Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)OCC(=O)OC(C)(C)C)cc12 ZINC000003361188 568888092 /nfs/dbraw/zinc/88/80/92/568888092.db2.gz IFAAJAKHWGNMSK-UHFFFAOYSA-N 0 0 406.891 4.547 50 0 HJAARN CCOc1ccccc1Nc1nnc(SCC(=O)c2ccccc2OC)s1 ZINC000003360923 568888187 /nfs/dbraw/zinc/88/81/87/568888187.db2.gz QDAAZKATLTURJJ-UHFFFAOYSA-N 0 0 401.513 4.664 50 0 HJAARN CC(C)(C)c1ccc(CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1 ZINC000003364641 568888914 /nfs/dbraw/zinc/88/89/14/568888914.db2.gz IUOIIESFBLYJOX-UHFFFAOYSA-N 0 0 405.527 4.966 50 0 HJAARN COc1ccc(OC)c(C(=O)CSc2nnc(Nc3cccc(C)c3)s2)c1 ZINC000003370301 568889700 /nfs/dbraw/zinc/88/97/00/568889700.db2.gz JHROINYOXQYYEA-UHFFFAOYSA-N 0 0 401.513 4.582 50 0 HJAARN CCN(c1ccc(NC(=O)COC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1)C(C)C ZINC000003378360 568891752 /nfs/dbraw/zinc/89/17/52/568891752.db2.gz OQIANLXEROAZJN-INIZCTEOSA-N 0 0 414.571 4.903 50 0 HJAARN CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1c(F)cccc1F)c1ccccc1 ZINC000003390653 568894405 /nfs/dbraw/zinc/89/44/05/568894405.db2.gz XZROOBYNMFQOMP-NRFANRHFSA-N 0 0 411.404 4.900 50 0 HJAARN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)cc2)c2c[nH]c3ccccc32)cc1 ZINC000003400017 568896162 /nfs/dbraw/zinc/89/61/62/568896162.db2.gz OEAIPUAHXPTHBA-JOCHJYFZSA-N 0 0 401.485 4.935 50 0 aggregator HJAARN Cc1cccc(-c2nnc(SCC(=O)N3CCC(C)CC3)n2-c2ccccc2)c1 ZINC000003401026 568896594 /nfs/dbraw/zinc/89/65/94/568896594.db2.gz PIBWUAMWCFOFKO-UHFFFAOYSA-N 0 0 406.555 4.593 50 0 HJAARN COC(=O)c1cccc(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)c1 ZINC000003412200 568898241 /nfs/dbraw/zinc/89/82/41/568898241.db2.gz SQWNKECJNGXRTH-UHFFFAOYSA-N 0 0 413.429 4.807 50 0 HJAARN CCOC(=O)c1oc2ccc(Br)cc2c1CSc1nnc(C)s1 ZINC000003416198 568899080 /nfs/dbraw/zinc/89/90/80/568899080.db2.gz QOFUSEJVOGYLJR-UHFFFAOYSA-N 0 0 413.318 4.824 50 0 HJAARN Cc1noc(C)c1COc1cccc(C(=O)OCC(=O)c2cc(C)c(C)cc2C)c1 ZINC000003430914 568901811 /nfs/dbraw/zinc/90/18/11/568901811.db2.gz XCQKNDDTRXYCDK-UHFFFAOYSA-N 0 0 407.466 4.835 50 0 HJAARN CSc1nc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(C)c4C)C3)cc2s1 ZINC000003435219 568902443 /nfs/dbraw/zinc/90/24/43/568902443.db2.gz CIBJDUSDCQTAJQ-AWEZNQCLSA-N 0 0 411.552 4.627 50 0 HJAARN CCOc1ccc2nc(NC(=O)CCOc3cccc(Br)c3)sc2c1 ZINC000003454473 568906153 /nfs/dbraw/zinc/90/61/53/568906153.db2.gz GAZSSBCVVSIYBN-UHFFFAOYSA-N 0 0 421.316 4.865 50 0 HJAARN Cc1ccnc2nc(C(=O)N(c3nc4ccccc4s3)c3ccc(Cl)cc3)nn21 ZINC000003452930 568906164 /nfs/dbraw/zinc/90/61/64/568906164.db2.gz NPEQBRXEZPXJQU-UHFFFAOYSA-N 0 0 420.885 4.674 50 0 HJAARN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N(C)CCc3ccccn3)cc12 ZINC000012650966 568906429 /nfs/dbraw/zinc/90/64/29/568906429.db2.gz FGACMOHTCKUQJA-UHFFFAOYSA-N 0 0 410.930 4.759 50 0 HJAARN CC1(C)Cc2c(sc3[nH]c(=S)n(-c4cccc(Br)c4)c(=O)c23)CO1 ZINC000012650444 568906501 /nfs/dbraw/zinc/90/65/01/568906501.db2.gz ZGRDSVUAACJPMQ-UHFFFAOYSA-N 0 0 423.357 4.724 50 0 HJAARN Cc1ccccc1Nc1nnc(SCC(=O)N[C@H]2CCCc3ccccc32)s1 ZINC000003465310 568907348 /nfs/dbraw/zinc/90/73/48/568907348.db2.gz ZNICEAMTDPTBDZ-SFHVURJKSA-N 0 0 410.568 4.876 50 0 aggregator HJAARN Cc1cccc(OCc2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)o2)c1 ZINC000012674583 568907373 /nfs/dbraw/zinc/90/73/73/568907373.db2.gz DFIBAWDCCNRLDQ-UHFFFAOYSA-N 0 0 424.309 4.995 50 0 HJAARN COc1cccc(-n2c(SCC(=O)c3ccc(F)cc3)nc3ccccc3c2=O)c1 ZINC000003477974 568908200 /nfs/dbraw/zinc/90/82/00/568908200.db2.gz QQZFRNPPLYSSFA-UHFFFAOYSA-N 0 0 420.465 4.508 50 0 HJAARN COc1ccc(C2=NN(C(C)=O)[C@H](c3cc4ccc(OC)cc4nc3Cl)C2)cc1 ZINC000001261173 568909303 /nfs/dbraw/zinc/90/93/03/568909303.db2.gz PRVQKOJAGINRSS-NRFANRHFSA-N 0 0 409.873 4.603 50 0 HJAARN Cn1c(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)nnc1C1CC1 ZINC000058297802 568909366 /nfs/dbraw/zinc/90/93/66/568909366.db2.gz MPLUQBJYBPKWEY-UHFFFAOYSA-N 0 0 422.945 4.886 50 0 HJAARN CC(C)(C)NC(=O)O[C@@H]1CS[C@H]2c3ccccc3C(=O)N2Cc2sccc21 ZINC000004108895 568909639 /nfs/dbraw/zinc/90/96/39/568909639.db2.gz PWDISRYZBGDCPW-QAPCUYQASA-N 0 0 402.541 4.715 50 0 HJAARN Cc1ccc([C@H]2Cn3nc(-c4nc(-c5ccc(Cl)c(F)c5)no4)cc3CO2)cc1 ZINC000263615727 568910512 /nfs/dbraw/zinc/91/05/12/568910512.db2.gz DVNXHIMVTSJBLT-LJQANCHMSA-N 0 0 410.836 4.973 50 0 HJAARN FC(F)(F)c1cccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccccc3)OC4)n2)c1 ZINC000263616044 568910803 /nfs/dbraw/zinc/91/08/03/568910803.db2.gz GQQPNIKAESUNQP-SFHVURJKSA-N 0 0 412.371 4.890 50 0 HJAARN C[C@@H](OC(=O)c1c2ccccc2nc2c1CCCCC2)C(=O)N(C)c1ccccc1 ZINC000003505237 568910814 /nfs/dbraw/zinc/91/08/14/568910814.db2.gz VRKUZXWYBWARBL-QGZVFWFLSA-N 0 0 402.494 4.712 50 0 HJAARN CCOc1ccc([C@H]2Cn3nc(-c4nc(-c5ccc(Cl)cc5)no4)cc3CO2)cc1 ZINC000263618613 568911989 /nfs/dbraw/zinc/91/19/89/568911989.db2.gz UQHZICHZILHBIU-HXUWFJFHSA-N 0 0 422.872 4.924 50 0 HJAARN COc1ccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccc(Cl)cc3)OC4)n2)cc1 ZINC000263619267 568912274 /nfs/dbraw/zinc/91/22/74/568912274.db2.gz XURVGBABBPTFDB-IBGZPJMESA-N 0 0 408.845 4.534 50 0 HJAARN Cc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cc4cccc(C)c4nc3Cl)C2)cc1 ZINC000001299087 568912951 /nfs/dbraw/zinc/91/29/51/568912951.db2.gz VPLZGKOIDSFGDN-IBGZPJMESA-N 0 0 413.930 4.616 50 0 HJAARN CCCc1cc2c(cc1OC(=O)N(C)C)occ(-c1ccc3c(c1)OCCCO3)c2=O ZINC000001321572 568914546 /nfs/dbraw/zinc/91/45/46/568914546.db2.gz SLZOGMKDOZJWTJ-UHFFFAOYSA-N 0 0 423.465 4.634 50 0 biogenic HJAARN COc1ccc(CN(CC[C@@H](c2ccccc2)c2ccc3c(c2)OCO3)C(C)=O)cc1 ZINC000001321636 568914599 /nfs/dbraw/zinc/91/45/99/568914599.db2.gz LDOFBEQHEPICKS-DEOSSOPVSA-N 0 0 417.505 4.995 50 0 biogenic HJAARN Cc1occc1-c1cc(NC(=O)c2ccccc2)n(CCOC(=O)c2ccccc2)n1 ZINC000058392152 568916152 /nfs/dbraw/zinc/91/61/52/568916152.db2.gz VRLJLNDPUOETOW-UHFFFAOYSA-N 0 0 415.449 4.561 50 0 HJAARN O=C(NCc1ccc(Cn2cccn2)cc1)c1ccccc1SCc1cscn1 ZINC000031156657 568916301 /nfs/dbraw/zinc/91/63/01/568916301.db2.gz QSKLIOVQTKWKDN-UHFFFAOYSA-N 0 0 420.563 4.610 50 0 HJAARN Cc1ccc(S(=O)(=O)/N=[S@@](\Cc2ccccc2)C[C@@H]2CC2(Cl)Cl)cc1 ZINC000004145218 568916331 /nfs/dbraw/zinc/91/63/31/568916331.db2.gz OEPLPUOLWFEHMC-UPCLLVRISA-N 0 0 416.395 4.880 50 0 HJAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)OCC(=O)c2ccc[nH]2)cc1 ZINC000012701002 568917470 /nfs/dbraw/zinc/91/74/70/568917470.db2.gz KCMLQIFJPZIXDM-UHFFFAOYSA-N 0 0 402.450 4.530 50 0 HJAARN CC(C)(NC(=O)[C@H]1CCC(=O)N(Cc2cccc(F)c2)C1)c1cccc2ccccc21 ZINC000012718919 568917960 /nfs/dbraw/zinc/91/79/60/568917960.db2.gz VRZUASAIRPCUTJ-FQEVSTJZSA-N 0 0 418.512 4.769 50 0 HJAARN Cc1ccc(S(=O)(=O)[C@H](NC(=O)OCc2ccccc2)C2CCCCC2)cc1 ZINC000001384111 568922218 /nfs/dbraw/zinc/92/22/18/568922218.db2.gz WZHWEXDHOOYBKR-NRFANRHFSA-N 0 0 401.528 4.602 50 0 HJAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(C)c(F)c3)c3ccccc3C(=O)N2C)cc1 ZINC000003657669 568923072 /nfs/dbraw/zinc/92/30/72/568923072.db2.gz IOQLKRTYVDNWSG-DHIUTWEWSA-N 0 0 418.468 4.692 50 0 HJAARN COc1ccc(CCN(Cc2ccccn2)C(=S)Nc2cccc(C)c2)cc1OC ZINC000003665506 568924117 /nfs/dbraw/zinc/92/41/17/568924117.db2.gz LEMARNNCOVSXFY-UHFFFAOYSA-N 0 0 421.566 4.849 50 0 HJAARN COC(=O)c1sccc1-c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)o1 ZINC000001393394 568925033 /nfs/dbraw/zinc/92/50/33/568925033.db2.gz HSFHIBZTLAZMFJ-UHFFFAOYSA-N 0 0 411.357 4.946 50 0 HJAARN O=S(=O)(NCc1cc(-c2ccc(Cl)cc2)no1)c1cc(Cl)ccc1Cl ZINC000001393823 568925045 /nfs/dbraw/zinc/92/50/45/568925045.db2.gz AHZDVPKMOQQEBS-UHFFFAOYSA-N 0 0 417.701 4.780 50 0 HJAARN CCOC(=O)c1sc(NC(=O)c2ccccc2F)c(C(=O)OC(C)(C)C)c1C ZINC000012739182 568925738 /nfs/dbraw/zinc/92/57/38/568925738.db2.gz RVKGBGJTYQJRFD-UHFFFAOYSA-N 0 0 407.463 4.580 50 0 HJAARN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)OCC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000031479252 568926711 /nfs/dbraw/zinc/92/67/11/568926711.db2.gz IUZYHOXKVMYNNR-QWRGUYRKSA-N 0 0 414.449 4.570 50 0 HJAARN CC(C)(C)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)CC1 ZINC000031487023 568926728 /nfs/dbraw/zinc/92/67/28/568926728.db2.gz VGELDJMSXMDWBP-UHFFFAOYSA-N 0 0 405.970 4.554 50 0 HJAARN O=C(Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)c1cccc(C(F)(F)F)c1 ZINC000001400333 568926859 /nfs/dbraw/zinc/92/68/59/568926859.db2.gz CJBDMGPXFOWNHT-UHFFFAOYSA-N 0 0 423.387 4.930 50 0 HJAARN Cc1ccc([C@](O)(CCNC(=O)[C@H](C)Sc2ccc(Cl)cc2)C(F)(F)F)o1 ZINC000031570837 568928259 /nfs/dbraw/zinc/92/82/59/568928259.db2.gz YHUOYXWXVFWCDG-YVEFUNNKSA-N 0 0 421.868 4.678 50 0 HJAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H](C)Oc1cccc(Cl)c1Cl ZINC000031696158 568929193 /nfs/dbraw/zinc/92/91/93/568929193.db2.gz JVALGYHIWWVFGQ-ZDUSSCGKSA-N 0 0 410.297 4.581 50 0 HJAARN CC1=C[C@H](C)[C@]2(COC(=O)NC(C)C)CO[C@H](c3ccc(N(C)C)cc3)[C@H]1[C@H]2C ZINC000003999159 568931927 /nfs/dbraw/zinc/93/19/27/568931927.db2.gz MATUOSYEEAMWHP-KETUGKNFSA-N 0 0 400.563 4.793 50 0 biogenic HJAARN COc1ccc(-c2cn3c(C)c(C(=O)Nc4cccc(NC(C)=O)c4)sc3n2)cc1 ZINC000004003614 568932874 /nfs/dbraw/zinc/93/28/74/568932874.db2.gz JXUPJRUIFWSTAB-UHFFFAOYSA-N 0 0 420.494 4.591 50 0 HJAARN CCCOc1ccc(C2(CNC(=O)Cc3ccc(OC)c(OC)c3)CCCC2)cc1 ZINC000004024479 568933874 /nfs/dbraw/zinc/93/38/74/568933874.db2.gz PLZVMRQTFGQDDZ-UHFFFAOYSA-N 0 0 411.542 4.663 50 0 biogenic HJAARN Cc1nc(C)c([C@H](C)NC(=O)c2c3c(sc2-n2cccc2)CSCC3)s1 ZINC000084062369 568934692 /nfs/dbraw/zinc/93/46/92/568934692.db2.gz MLASXWKDCVUBNG-LBPRGKRZSA-N 0 0 403.598 4.892 50 0 HJAARN O=C(Nc1snnc1C(=O)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000001416997 568934740 /nfs/dbraw/zinc/93/47/40/568934740.db2.gz OIKVOALKPBCZIF-UHFFFAOYSA-N 0 0 408.270 4.741 50 0 HJAARN O=C(CN1CCC(c2nc3cc(Cl)ccc3s2)CC1)NCc1ccc(F)cc1 ZINC000012748377 568934747 /nfs/dbraw/zinc/93/47/47/568934747.db2.gz LLQOCVUWBJFHMR-UHFFFAOYSA-N 0 0 417.937 4.585 50 0 HJAARN O=S(=O)(Nc1ccc(-c2nc3cccnc3s2)cc1)c1cccc(Cl)c1 ZINC000004036343 568935594 /nfs/dbraw/zinc/93/55/94/568935594.db2.gz ZAIROKJIPNYLRG-UHFFFAOYSA-N 0 0 401.900 4.813 50 0 HJAARN Oc1ccc(Oc2ccccc2)cc1[C@](O)(c1nc2ccccc2[nH]1)C(F)(F)F ZINC000001424841 568938881 /nfs/dbraw/zinc/93/88/81/568938881.db2.gz OSGQWUSUIXUIHY-FQEVSTJZSA-N 0 0 400.356 4.859 50 0 HJAARN Cc1cc(CNC(=O)c2ccccc2Sc2ncnc3sc(C)c(C)c32)no1 ZINC000084117149 568939049 /nfs/dbraw/zinc/93/90/49/568939049.db2.gz NDRLTJHRMPEXGH-UHFFFAOYSA-N 0 0 410.524 4.686 50 0 HJAARN CCc1ccc([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)OC3)cc1 ZINC000001429642 568939785 /nfs/dbraw/zinc/93/97/85/568939785.db2.gz BPJQOLNEWVKZRT-KRWDZBQOSA-N 0 0 401.384 4.599 50 0 HJAARN Cc1nn(Cc2cccc3ccccc32)c(C)c1NC(=O)COc1ccc(F)cc1 ZINC000001429202 568939807 /nfs/dbraw/zinc/93/98/07/568939807.db2.gz WDWDDRKXRQCVEK-UHFFFAOYSA-N 0 0 403.457 4.858 50 0 HJAARN Cc1nc2cc(C(=O)NCc3ccc(Oc4cc(C)ccc4C)nc3)ccc2n1C ZINC000084146370 568940318 /nfs/dbraw/zinc/94/03/18/568940318.db2.gz RDDLUCKCTZXQRN-UHFFFAOYSA-N 0 0 400.482 4.616 50 0 HJAARN O=C(COc1ccccc1Br)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000012751212 568940626 /nfs/dbraw/zinc/94/06/26/568940626.db2.gz JFPLYNPTYBIIJN-IBGZPJMESA-N 0 0 420.303 4.934 50 0 HJAARN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(NC(=O)CCC)cc2)c1 ZINC000004089800 568941871 /nfs/dbraw/zinc/94/18/71/568941871.db2.gz IIXQGJCPTKRURD-UHFFFAOYSA-N 0 0 413.543 4.731 50 0 HJAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1 ZINC000004122485 568944967 /nfs/dbraw/zinc/94/49/67/568944967.db2.gz CCYMSKKHWOXYCF-UHFFFAOYSA-N 0 0 402.479 4.633 50 0 HJAARN CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1c[nH]c2ccccc21 ZINC000004138551 568945706 /nfs/dbraw/zinc/94/57/06/568945706.db2.gz GBENYADCJKJRKK-UHFFFAOYSA-N 0 0 411.918 4.831 50 0 HJAARN COc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2)cc1OC ZINC000004162437 568947300 /nfs/dbraw/zinc/94/73/00/568947300.db2.gz FOOCJKVBUDXXHI-UHFFFAOYSA-N 0 0 416.433 4.955 50 0 HJAARN O=C(Nc1ccccc1)c1oc2ccccc2c1NC(=O)c1ccc2c(c1)OCO2 ZINC000004162441 568947343 /nfs/dbraw/zinc/94/73/43/568947343.db2.gz RDLTUQLAQPIGMO-UHFFFAOYSA-N 0 0 400.390 4.666 50 0 HJAARN Cc1ccccc1-n1nc2c(c1NC(=O)c1cccc(Br)c1)CSC2 ZINC000004175962 568948625 /nfs/dbraw/zinc/94/86/25/568948625.db2.gz FLHHPVOQAUWSBB-UHFFFAOYSA-N 0 0 414.328 4.942 50 0 HJAARN O=C(c1ccc(OCC(F)(F)F)nc1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000084442203 568949076 /nfs/dbraw/zinc/94/90/76/568949076.db2.gz FTGFOZUUJGKELJ-QGZVFWFLSA-N 0 0 424.469 4.934 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)CN1CCc2sccc2[C@@H]1c1ccccc1 ZINC000012767797 568949490 /nfs/dbraw/zinc/94/94/90/568949490.db2.gz XHWLQSDUJINAHZ-QFIPXVFZSA-N 0 0 412.942 4.996 50 0 HJAARN O=C(NC(c1ccccc1)c1ccccc1)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000015583043 568951280 /nfs/dbraw/zinc/95/12/80/568951280.db2.gz WZGITIKYWPIIFY-UHFFFAOYSA-N 0 0 418.500 4.999 50 0 HJAARN CCCCn1c(SCC(=O)c2ccccc2OC)nnc1-c1ccc(OC)cc1 ZINC000004242001 568953316 /nfs/dbraw/zinc/95/33/16/568953316.db2.gz BXMGXEPQOSZEJN-UHFFFAOYSA-N 0 0 411.527 4.737 50 0 HJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012774487 568953558 /nfs/dbraw/zinc/95/35/58/568953558.db2.gz AODMUENIEFXUSV-CABCVRRESA-N 0 0 421.324 4.638 50 0 HJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012774477 568953602 /nfs/dbraw/zinc/95/36/02/568953602.db2.gz AODMUENIEFXUSV-HUUCEWRRSA-N 0 0 421.324 4.638 50 0 HJAARN O=S(=O)(Nc1cccc(-c2cn3c(n2)SCC3)c1)c1ccc2ccccc2c1 ZINC000004249114 568953899 /nfs/dbraw/zinc/95/38/99/568953899.db2.gz FNJJTCCXWAOYOU-UHFFFAOYSA-N 0 0 407.520 4.610 50 0 HJAARN 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4.926 50 0 HJAARN Cc1cccc(-c2nnc([C@H](C)N(C)CC(=O)Nc3c(Cl)cccc3Cl)o2)c1 ZINC000012850068 569010337 /nfs/dbraw/zinc/01/03/37/569010337.db2.gz MJFXUGCOQYQBSO-ZDUSSCGKSA-N 0 0 419.312 4.983 50 0 HJAARN COC(=O)c1cccc(NC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c32)c1 ZINC000012858857 569011437 /nfs/dbraw/zinc/01/14/37/569011437.db2.gz PGMSITUQWVAWHC-UHFFFAOYSA-N 0 0 421.478 4.915 50 0 HJAARN COC(=O)C[C@H](NC(=O)c1sc(-c2ccsc2)nc1C)c1ccccc1Cl ZINC000012859657 569011463 /nfs/dbraw/zinc/01/14/63/569011463.db2.gz SMVUBLBVHIWARB-HNNXBMFYSA-N 0 0 420.943 4.868 50 0 HJAARN O=C1N(Cc2ccc(Cl)cc2)c2ccccc2S(=O)(=O)N1c1ccc(F)cc1 ZINC000015827028 569011582 /nfs/dbraw/zinc/01/15/82/569011582.db2.gz INQAPMGSEPNEAD-UHFFFAOYSA-N 0 0 416.861 4.815 50 0 HJAARN Cc1csc(NC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)n1 ZINC000012861724 569011862 /nfs/dbraw/zinc/01/18/62/569011862.db2.gz SMYBCPDESHYPCP-UHFFFAOYSA-N 0 0 401.285 4.697 50 0 HJAARN O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccc(Cl)cc1Cl ZINC000012863658 569011929 /nfs/dbraw/zinc/01/19/29/569011929.db2.gz ZVKRYJDQGGZGLB-UHFFFAOYSA-N 0 0 422.337 4.672 50 0 HJAARN CCOC(=O)c1ccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000000640790 569012379 /nfs/dbraw/zinc/01/23/79/569012379.db2.gz YULJUHJWHCWSJH-UHFFFAOYSA-N 0 0 402.661 4.841 50 0 HJAARN COc1ccc(CNC(=O)CCc2ccc(-c3ccc(Br)cc3)o2)cc1 ZINC000004542718 569012537 /nfs/dbraw/zinc/01/25/37/569012537.db2.gz BCSMPFFQZHRQIL-UHFFFAOYSA-N 0 0 414.299 4.967 50 0 HJAARN C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000006128744 569013048 /nfs/dbraw/zinc/01/30/48/569013048.db2.gz OLKBAHMKWDMYFQ-IIBYNOLFSA-N 0 0 418.566 4.819 50 0 HJAARN O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1ccc(Cl)cc1F ZINC000006128901 569013090 /nfs/dbraw/zinc/01/30/90/569013090.db2.gz SEOZEBTWPRFJJK-UHFFFAOYSA-N 0 0 402.882 4.668 50 0 HJAARN CCc1cccc(OCC(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)c1 ZINC000012875833 569013543 /nfs/dbraw/zinc/01/35/43/569013543.db2.gz JLCLVSKYVREJBT-UHFFFAOYSA-N 0 0 406.404 4.634 50 0 HJAARN CCNC(=O)COc1ccc(C(=O)Nc2ccccc2Oc2ccc(C)cc2)cc1 ZINC000012877203 569013748 /nfs/dbraw/zinc/01/37/48/569013748.db2.gz PNAUVNQLFBBGGH-UHFFFAOYSA-N 0 0 404.466 4.555 50 0 HJAARN Cc1cc(C)c(OCC(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)c(C)c1 ZINC000012878954 569014003 /nfs/dbraw/zinc/01/40/03/569014003.db2.gz XSUIDWVYVHBYDU-UHFFFAOYSA-N 0 0 420.431 4.997 50 0 HJAARN CSCC[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2F)o1 ZINC000006159294 569015538 /nfs/dbraw/zinc/01/55/38/569015538.db2.gz WQOZRGUHWWFCNL-CQSZACIVSA-N 0 0 413.540 4.820 50 0 HJAARN O=S(=O)(N[C@H]1CCCC[C@@H]1Sc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 ZINC000006161694 569015886 /nfs/dbraw/zinc/01/58/86/569015886.db2.gz JEQMSTYJEBZEMG-ROUUACIJSA-N 0 0 421.975 4.598 50 0 HJAARN CCn1cc(Cc2nnc(NC(=O)CSc3ccccc3)s2)c2ccccc21 ZINC000015863389 569016089 /nfs/dbraw/zinc/01/60/89/569016089.db2.gz LAGDXNLZCVEKGE-UHFFFAOYSA-N 0 0 408.552 4.834 50 0 HJAARN Cc1cccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3cc(C)ccc3n2)c1 ZINC000015865495 569016744 /nfs/dbraw/zinc/01/67/44/569016744.db2.gz MVJROQNESIPWPB-UHFFFAOYSA-N 0 0 414.465 4.534 50 0 HJAARN Cc1ccc(S(=O)(=O)Nc2ccc(CCc3nc4cc(C)ccc4[nH]3)cc2)cc1 ZINC000015870683 569017475 /nfs/dbraw/zinc/01/74/75/569017475.db2.gz YHKZLDOWDPQQCF-UHFFFAOYSA-N 0 0 405.523 4.766 50 0 HJAARN Cc1ccccc1NC(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1 ZINC000015880632 569018268 /nfs/dbraw/zinc/01/82/68/569018268.db2.gz BGORQUHEFAABGY-UHFFFAOYSA-N 0 0 400.891 4.930 50 0 HJAARN Cc1ccc2nc(NC(=O)Cc3csc(NC(=O)Nc4ccccc4)n3)sc2c1 ZINC000015880597 569018291 /nfs/dbraw/zinc/01/82/91/569018291.db2.gz DHFGEIYOAMOLBZ-UHFFFAOYSA-N 0 0 423.523 4.886 50 0 HJAARN O=C(Nc1ccccc1C(F)(F)F)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 ZINC000015883219 569019247 /nfs/dbraw/zinc/01/92/47/569019247.db2.gz MGZDEGRGLHROEC-UHFFFAOYSA-N 0 0 406.791 4.821 50 0 HJAARN COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000012887334 569019593 /nfs/dbraw/zinc/01/95/93/569019593.db2.gz SPMBNCLWHOUPDI-INIZCTEOSA-N 0 0 419.852 4.893 50 0 HJAARN Cc1ccc(F)c(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)c1 ZINC000012891158 569019986 /nfs/dbraw/zinc/01/99/86/569019986.db2.gz MCOQLJRHWGVNNS-INIZCTEOSA-N 0 0 424.497 4.526 50 0 HJAARN Cc1ccc(-c2cnc(CCC(=O)N(C)CC(=O)Nc3c(C)cc(C)cc3C)o2)cc1 ZINC000012917539 569022826 /nfs/dbraw/zinc/02/28/26/569022826.db2.gz YSNQTLNKIIRZKP-UHFFFAOYSA-N 0 0 419.525 4.605 50 0 HJAARN O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1ccc(OC(F)F)cc1 ZINC000012921185 569023243 /nfs/dbraw/zinc/02/32/43/569023243.db2.gz FBHQXYWRFYGQQT-LJQANCHMSA-N 0 0 420.506 4.997 50 0 HJAARN CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000012922206 569023255 /nfs/dbraw/zinc/02/32/55/569023255.db2.gz ZFJYNZDAHFQXGY-GOSISDBHSA-N 0 0 408.523 4.597 50 0 HJAARN O=C(Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1cc(F)cc(F)c1 ZINC000012926682 569023847 /nfs/dbraw/zinc/02/38/47/569023847.db2.gz PILINEXBGHISNW-UHFFFAOYSA-N 0 0 402.832 4.855 50 0 HJAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)NC(=O)CCS2 ZINC000012927910 569024065 /nfs/dbraw/zinc/02/40/65/569024065.db2.gz KHMKFCSLEZXWEC-UHFFFAOYSA-N 0 0 404.491 4.952 50 0 HJAARN CN(Cc1ccc2ccccc2c1)C(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000012929790 569024384 /nfs/dbraw/zinc/02/43/84/569024384.db2.gz DGQHMVAHPLTSQC-UHFFFAOYSA-N 0 0 401.293 4.535 50 0 HJAARN COc1cccc2cc(C(=O)NCCc3ccc(-c4ccsc4)s3)c(=O)oc21 ZINC000575414037 569024964 /nfs/dbraw/zinc/02/49/64/569024964.db2.gz LBLKEWKHVWALNF-UHFFFAOYSA-N 0 0 411.504 4.564 50 0 HJAARN Cc1noc([C@@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2-c2cccc(C)c2)n1 ZINC000012933812 569025705 /nfs/dbraw/zinc/02/57/05/569025705.db2.gz QZLWKGMYCPUKEW-GFCCVEGCSA-N 0 0 412.902 4.892 50 0 HJAARN O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1cccc(C(F)(F)F)c1 ZINC000012935156 569026342 /nfs/dbraw/zinc/02/63/42/569026342.db2.gz VMSUCBISCJPMNL-GOSISDBHSA-N 0 0 420.431 4.642 50 0 HJAARN CCOC(=O)c1ccc(NC(=O)[C@H](Sc2nc(C)cc(C)n2)c2ccccc2)cc1 ZINC000334163424 569026351 /nfs/dbraw/zinc/02/63/51/569026351.db2.gz RMWVQBQRXGFKTG-HXUWFJFHSA-N 0 0 421.522 4.742 50 0 HJAARN C[C@@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000012946118 569029155 /nfs/dbraw/zinc/02/91/55/569029155.db2.gz PYWCDIVUJZQHNU-KNEUKCCGSA-N 0 0 409.574 4.652 50 0 HJAARN COc1ccc2oc(-c3ccc(NC(=O)c4ccc(OC)c(OC)c4)cc3)nc2c1 ZINC000006200119 569031613 /nfs/dbraw/zinc/03/16/13/569031613.db2.gz OJQWQJCGYJAXSX-UHFFFAOYSA-N 0 0 404.422 4.773 50 0 HJAARN COc1cc([C@@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)nsc32)cc2c1OCO2 ZINC000035324557 569032284 /nfs/dbraw/zinc/03/22/84/569032284.db2.gz OCVONZYWMKOUHI-ZDUSSCGKSA-N 0 0 414.870 4.675 50 0 HJAARN O=C(COc1ccccc1Cl)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000006217094 569033258 /nfs/dbraw/zinc/03/32/58/569033258.db2.gz BOLHAYDMWCFPMT-AWEZNQCLSA-N 0 0 402.903 4.541 50 0 HJAARN O=C(CCc1c[nH]c2ccccc12)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000035375770 569034088 /nfs/dbraw/zinc/03/40/88/569034088.db2.gz SWRCELPGUIWCNT-UHFFFAOYSA-N 0 0 400.482 4.557 50 0 HJAARN CCOc1ccc(NC(=O)c2ccc3c(c2)N(Cc2ccc(C)cc2)C(=O)CO3)cc1 ZINC000035377464 569034491 /nfs/dbraw/zinc/03/44/91/569034491.db2.gz KEGMWRJZOYXHSU-UHFFFAOYSA-N 0 0 416.477 4.572 50 0 HJAARN CCOC(=O)c1ccc(NC(=S)Nc2ccn(C34CC5CC(CC(C5)C3)C4)n2)cc1 ZINC000006242379 569034564 /nfs/dbraw/zinc/03/45/64/569034564.db2.gz BLHHKFRKUPWTRE-UHFFFAOYSA-N 0 0 424.570 4.794 50 0 HJAARN Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)Nc4cccc(Cl)c4)C3)nn2)cc1 ZINC000035398092 569035030 /nfs/dbraw/zinc/03/50/30/569035030.db2.gz BXGFNAYNKCCXCA-SFHVURJKSA-N 0 0 406.917 4.961 50 0 HJAARN CCc1ccc(NC(=O)C2CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)cc1 ZINC000035398592 569035215 /nfs/dbraw/zinc/03/52/15/569035215.db2.gz HLVNCCONVLIWCJ-UHFFFAOYSA-N 0 0 404.489 4.700 50 0 HJAARN O=c1c2c(ncn1Cc1ccccc1)c1cc(F)ccc1n2Cc1ccc(F)cc1 ZINC000035400312 569035453 /nfs/dbraw/zinc/03/54/53/569035453.db2.gz YNEFFKWIYRUWER-UHFFFAOYSA-N 0 0 401.416 4.726 50 0 HJAARN Cc1ccc(-n2cc(C3=CCN(CC(=O)Nc4ccc(F)c(Cl)c4)CC3)cn2)cc1 ZINC000035403700 569035556 /nfs/dbraw/zinc/03/55/56/569035556.db2.gz UPCCAFVJEMUOBV-UHFFFAOYSA-N 0 0 424.907 4.701 50 0 HJAARN Cc1ccc(-n2cc(C3=CCN(CC(=O)Nc4ccc(F)cc4Cl)CC3)cn2)cc1 ZINC000035403704 569035621 /nfs/dbraw/zinc/03/56/21/569035621.db2.gz HSDYDRYJNXFAEF-UHFFFAOYSA-N 0 0 424.907 4.701 50 0 HJAARN Cc1nn(CCNC(=O)c2csc(-c3ccccc3)n2)c(C)c1-c1ccsc1 ZINC000575616113 569036733 /nfs/dbraw/zinc/03/67/33/569036733.db2.gz WSGHBZVVGJSEHS-UHFFFAOYSA-N 0 0 408.552 4.782 50 0 HJAARN Cc1ccc2nc(NC(=O)CCC(=O)Nc3nc4ccc(C)cc4s3)sc2c1 ZINC000006279412 569037009 /nfs/dbraw/zinc/03/70/09/569037009.db2.gz NBCTVLKHOJRAFP-UHFFFAOYSA-N 0 0 410.524 4.880 50 0 HJAARN CC(C)c1ccc(-c2noc(N3CCC(C(=O)Nc4ccc(F)cc4)CC3)n2)cc1 ZINC000035447397 569037390 /nfs/dbraw/zinc/03/73/90/569037390.db2.gz VWNXYLMNEOQFOO-UHFFFAOYSA-N 0 0 408.477 4.854 50 0 HJAARN COC(=O)c1c(NC(=S)Nc2ccc(Br)cc2)sc2c1CCC2 ZINC000006288205 569037626 /nfs/dbraw/zinc/03/76/26/569037626.db2.gz BDSMIDRMKJTMMQ-UHFFFAOYSA-N 0 0 411.346 4.595 50 0 HJAARN Cc1cccc(NC(=O)NCCn2c(-c3ccc(F)cc3)nc3cccnc32)c1C ZINC000035478837 569038528 /nfs/dbraw/zinc/03/85/28/569038528.db2.gz WKPHWPMBQNUMQE-UHFFFAOYSA-N 0 0 403.461 4.676 50 0 HJAARN O=C(COc1cccc(C(F)(F)F)c1)Nc1ccccc1-c1cn2c(n1)CCCC2 ZINC000575620243 569038755 /nfs/dbraw/zinc/03/87/55/569038755.db2.gz OWXVVDPYMHRWKZ-UHFFFAOYSA-N 0 0 415.415 4.923 50 0 HJAARN Cc1noc(C)c1CSc1nc2c3cccnc3sc2c(=O)n1CC(C)C ZINC000035480525 569039325 /nfs/dbraw/zinc/03/93/25/569039325.db2.gz QKBNDMPUPNLCPG-UHFFFAOYSA-N 0 0 400.529 4.559 50 0 HJAARN COc1cccc(CNC(=O)c2ccc3cnn(Cc4cccc(Cl)c4)c3c2)c1 ZINC000035505032 569040834 /nfs/dbraw/zinc/04/08/34/569040834.db2.gz NJCGAQYVWXZOCE-UHFFFAOYSA-N 0 0 405.885 4.677 50 0 HJAARN COCCCNC(=O)C[C@H](c1cn(C)c2ccccc12)c1cccc(C(F)(F)F)c1 ZINC000006713532 569041235 /nfs/dbraw/zinc/04/12/35/569041235.db2.gz AGTZIQFVLKKFLW-IBGZPJMESA-N 0 0 418.459 4.872 50 0 HJAARN Cc1nc(-c2ccccc2Cl)sc1CNC(=O)[C@@H]1Oc2ccccc2O[C@H]1C ZINC000090593221 569041550 /nfs/dbraw/zinc/04/15/50/569041550.db2.gz MFHLLTRGHKLIFL-ORAYPTAESA-N 0 0 414.914 4.617 50 0 HJAARN CCOc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)/C=C/c1ccccc1 ZINC000002129204 569042767 /nfs/dbraw/zinc/04/27/67/569042767.db2.gz IAPQJTWDFSUNMC-ODZNUADLSA-N 0 0 405.538 4.993 50 0 biogenic HJAARN COc1cccc(-n2cc(C(=O)Oc3ccc4cnccc4c3)c3ccccc3c2=O)c1 ZINC000035510652 569042959 /nfs/dbraw/zinc/04/29/59/569042959.db2.gz QQLLPFKHTVZCCF-UHFFFAOYSA-N 0 0 422.440 4.767 50 0 HJAARN CC(=O)Nc1ccc(CC(=O)Nc2cccc(-c3noc(C4CCCC4)n3)c2)cc1 ZINC000035539814 569043717 /nfs/dbraw/zinc/04/37/17/569043717.db2.gz JHSIAZMFTRYQLT-UHFFFAOYSA-N 0 0 404.470 4.534 50 0 HJAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000035527852 569043952 /nfs/dbraw/zinc/04/39/52/569043952.db2.gz VLHQONUDMZDWBR-KRWDZBQOSA-N 0 0 417.918 4.533 50 0 HJAARN O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(C2CCCCC2)cc1 ZINC000006344217 569044058 /nfs/dbraw/zinc/04/40/58/569044058.db2.gz YDXCUESXOOBTLL-HSZRJFAPSA-N 0 0 419.521 4.509 50 0 HJAARN Cc1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2C)c1 ZINC000006333411 569044234 /nfs/dbraw/zinc/04/42/34/569044234.db2.gz OFVPZZGAMYNESS-UHFFFAOYSA-N 0 0 415.522 4.677 50 0 HJAARN O=C(Cc1ccc(Br)cc1)Nc1cccc(-c2noc(C3CCC3)n2)c1 ZINC000035552294 569044583 /nfs/dbraw/zinc/04/45/83/569044583.db2.gz SBJOLZISXYJSKL-UHFFFAOYSA-N 0 0 412.287 4.948 50 0 HJAARN Cc1sc(-c2noc(C3CC3)n2)cc1NC(=O)c1ccc(Br)cc1 ZINC000035554974 569044607 /nfs/dbraw/zinc/04/46/07/569044607.db2.gz AELFGMRUCHSQEY-UHFFFAOYSA-N 0 0 404.289 4.999 50 0 HJAARN C[C@H](Sc1nccn1C)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000006369945 569046129 /nfs/dbraw/zinc/04/61/29/569046129.db2.gz RHCJUKFGWCRMBQ-GUYCJALGSA-N 0 0 414.918 4.525 50 0 HJAARN O=C(CSc1nnc(-c2ccccc2F)o1)Nc1ccc(OC(F)(F)F)cc1 ZINC000035586237 569046134 /nfs/dbraw/zinc/04/61/34/569046134.db2.gz WAVKTSYVIZKJIT-UHFFFAOYSA-N 0 0 413.352 4.505 50 0 HJAARN COc1ccc2cc([C@H](C)C(=O)NCC(=O)Nc3c(C)cc(C)cc3C)ccc2c1 ZINC000012980596 569046291 /nfs/dbraw/zinc/04/62/91/569046291.db2.gz HIEKIXADIKPKQQ-SFHVURJKSA-N 0 0 404.510 4.632 50 0 HJAARN Cc1ccc(-c2nc(CN(c3nccs3)S(=O)(=O)c3ccccc3)co2)cc1 ZINC000012981051 569046979 /nfs/dbraw/zinc/04/69/79/569046979.db2.gz GHJHTLUBQLZHSB-UHFFFAOYSA-N 0 0 411.508 4.502 50 0 HJAARN COc1ccc(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)cc1Cl ZINC000018185202 569047213 /nfs/dbraw/zinc/04/72/13/569047213.db2.gz CKOPILJGQYIOQR-UHFFFAOYSA-N 0 0 402.903 4.874 50 0 HJAARN CN(Cc1nc2ccccc2s1)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000012981844 569047247 /nfs/dbraw/zinc/04/72/47/569047247.db2.gz LNTMYASTZDGEOV-UHFFFAOYSA-N 0 0 420.865 4.789 50 0 HJAARN O=C(CCc1nc(-c2ccco2)no1)N(CCc1ccccc1)Cc1ccccc1 ZINC000012987685 569047523 /nfs/dbraw/zinc/04/75/23/569047523.db2.gz BMRJIEANWNYUQT-UHFFFAOYSA-N 0 0 401.466 4.534 50 0 HJAARN CCc1ccc(OCC(=O)Nc2nc(-c3ccc(C)cc3)c(NC(C)=O)s2)cc1 ZINC000035671522 569048461 /nfs/dbraw/zinc/04/84/61/569048461.db2.gz ZUPDDWFPPXYPFG-UHFFFAOYSA-N 0 0 409.511 4.657 50 0 HJAARN CCCCc1ccc(NC(=O)c2c(C)oc3ncn(Cc4ccccc4)c(=O)c32)cc1 ZINC000035672039 569048528 /nfs/dbraw/zinc/04/85/28/569048528.db2.gz KGTBLRDXJQNJKG-UHFFFAOYSA-N 0 0 415.493 4.941 50 0 HJAARN COc1cccc(NC(=O)[C@@H](Oc2ccc3c(C)cc(=O)oc3c2)c2ccccc2)c1 ZINC000006421215 569048734 /nfs/dbraw/zinc/04/87/34/569048734.db2.gz HQGKAQAYZOPAPF-DEOSSOPVSA-N 0 0 415.445 4.869 50 0 HJAARN COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000013003250 569049329 /nfs/dbraw/zinc/04/93/29/569049329.db2.gz QUMWUDAKSYYNPI-OAHLLOKOSA-N 0 0 400.544 4.545 50 0 HJAARN C[C@@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1cccc2ccccc21 ZINC000013006523 569049751 /nfs/dbraw/zinc/04/97/51/569049751.db2.gz SGDWFSRGZPTAKM-GOSISDBHSA-N 0 0 401.510 4.961 50 0 HJAARN Cc1c(-c2ccc(F)cc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1ccc(F)c(Cl)c1 ZINC000035684995 569050035 /nfs/dbraw/zinc/05/00/35/569050035.db2.gz FHCAOPFNPGGHGK-INIZCTEOSA-N 0 0 416.815 4.962 50 0 HJAARN COc1ccc([C@@H]2CCCN2C(=O)CCCc2nc3ccccc3s2)cc1OC ZINC000013010548 569050079 /nfs/dbraw/zinc/05/00/79/569050079.db2.gz DOFIFLGEFUMVIA-SFHVURJKSA-N 0 0 410.539 5.000 50 0 HJAARN CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccc(S(C)(=O)=O)cc3)n2)cc1 ZINC000013011026 569050146 /nfs/dbraw/zinc/05/01/46/569050146.db2.gz NVCNFFWOXJLWLG-UHFFFAOYSA-N 0 0 414.552 4.763 50 0 HJAARN Cc1c(-c2ccc(C)cc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1ccc(F)c(F)c1F ZINC000035684966 569050147 /nfs/dbraw/zinc/05/01/47/569050147.db2.gz CQIKGZYNEVWDEM-HNNXBMFYSA-N 0 0 414.387 4.756 50 0 HJAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)N3CCC[C@@H]3Cc3ccccc3)cc2C1=O ZINC000013012724 569050606 /nfs/dbraw/zinc/05/06/06/569050606.db2.gz JRUHMELROFFUNE-OAQYLSRUSA-N 0 0 424.500 4.643 50 0 HJAARN Cc1cc(Br)ccc1NC(=O)CCC(=O)c1ccc2c(c1)OCCCO2 ZINC000013012460 569050631 /nfs/dbraw/zinc/05/06/31/569050631.db2.gz PWRWPRRRPUNSHP-UHFFFAOYSA-N 0 0 418.287 4.520 50 0 HJAARN CC(C)[C@@H](NC(=O)CCn1ncc(=O)c2ccccc21)c1ccc(C(C)(C)C)cc1 ZINC000013019890 569051114 /nfs/dbraw/zinc/05/11/14/569051114.db2.gz RBOAWBFERRRNQZ-XMMPIXPASA-N 0 0 405.542 4.598 50 0 HJAARN COc1cccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)c1 ZINC000013048197 569052456 /nfs/dbraw/zinc/05/24/56/569052456.db2.gz SVYCESMHNNOXBJ-XMMPIXPASA-N 0 0 418.493 4.892 50 0 HJAARN CCOC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2)sc2c1CCC2 ZINC000001773620 569052471 /nfs/dbraw/zinc/05/24/71/569052471.db2.gz QEMPPFQEHLLDLV-UHFFFAOYSA-N 0 0 407.919 4.865 50 0 HJAARN O=C(NCCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1)c1ccco1 ZINC000006446959 569053013 /nfs/dbraw/zinc/05/30/13/569053013.db2.gz MWLSVYWSHBMHJS-UHFFFAOYSA-N 0 0 423.900 4.724 50 0 HJAARN CC[C@H](C(=O)c1ccccc1)[C@H]1c2cc(Br)ccc2OC(=O)[C@H]1C(C)=O ZINC000239331222 569054215 /nfs/dbraw/zinc/05/42/15/569054215.db2.gz KIBXHWGMCRKKCS-SNRMKQJTSA-N 0 0 415.283 4.566 50 0 HJAARN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccccc2)cc1OC ZINC000239358464 569054279 /nfs/dbraw/zinc/05/42/79/569054279.db2.gz NJHVRHMSDDWBDE-CPJSRVTESA-N 0 0 416.477 4.955 50 0 HJAARN C[C@H](NC(=O)CN1CCC[C@H]1c1nc2ccccc2s1)c1cc2ccccc2o1 ZINC000239433266 569054327 /nfs/dbraw/zinc/05/43/27/569054327.db2.gz XLCAGXRIGHCOHU-YJBOKZPZSA-N 0 0 405.523 5.057 50 0 HJAARN O=C1[C@H]2[C@@H](C(=O)N1Cc1ccc(F)cc1)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000240203779 569054586 /nfs/dbraw/zinc/05/45/86/569054586.db2.gz JTDNFYAOHPSUBJ-OJJQZRKESA-N 0 0 411.476 5.064 50 0 HJAARN O=C(COC(=O)c1ccc2ccccc2c1)Nc1ccc(Br)cc1F ZINC000006460853 569057262 /nfs/dbraw/zinc/05/72/62/569057262.db2.gz VVFQJQKWJRGDSY-UHFFFAOYSA-N 0 0 402.219 4.537 50 0 HJAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43CO)[C@H]1CC[C@@H]2OC(=O)c1ccccc1 ZINC000252428484 569057870 /nfs/dbraw/zinc/05/78/70/569057870.db2.gz HPNPWGLKVZAMPM-WGHDKNDMSA-N 0 0 410.554 4.508 50 0 HJAARN C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43CO)[C@H]1CC[C@@H]2OC(=O)c1ccccc1 ZINC000253497707 569058237 /nfs/dbraw/zinc/05/82/37/569058237.db2.gz HPNPWGLKVZAMPM-OVVVXGLUSA-N 0 0 410.554 4.508 50 0 HJAARN CCc1ccc(NC(=O)N(Cc2ccc(OS(=O)(=O)CC)cc2)[C@@H](C)CC)cc1 ZINC000035769911 569058312 /nfs/dbraw/zinc/05/83/12/569058312.db2.gz SIEYZZVSGJVXML-KRWDZBQOSA-N 0 0 418.559 4.810 50 0 HJAARN CCCOc1ccc(Nc2ncnc3ccc(I)cc32)cc1 ZINC000001911091 569058993 /nfs/dbraw/zinc/05/89/93/569058993.db2.gz MMIIMRXXEDXOIT-UHFFFAOYSA-N 0 0 405.239 4.767 50 0 HJAARN COc1ccc(CN(CC[C@H](c2ccco2)c2ccccc2OC)C(C)=O)cc1OC ZINC000001131839 569060294 /nfs/dbraw/zinc/06/02/94/569060294.db2.gz QPOWWZXKTJOZBE-NRFANRHFSA-N 0 0 423.509 4.876 50 0 biogenic HJAARN CSc1cc(C(=O)NC2(c3nc(-c4ccsc4)no3)CCCCC2)ccn1 ZINC000089493828 569061174 /nfs/dbraw/zinc/06/11/74/569061174.db2.gz MWWUMMQJOBZGCQ-UHFFFAOYSA-N 0 0 400.529 4.504 50 0 HJAARN Cc1ccc(S(=O)(=O)Nc2nn(Cc3ccccc3Cl)cc2Cl)c(C)c1 ZINC000006502355 569061686 /nfs/dbraw/zinc/06/16/86/569061686.db2.gz WVZFGHBRNCGPCX-UHFFFAOYSA-N 0 0 410.326 4.656 50 0 HJAARN CC[C@H](NC(=O)CSc1nc2ccccc2o1)c1ccc(Br)cc1 ZINC000006510118 569062063 /nfs/dbraw/zinc/06/20/63/569062063.db2.gz ISYFOKISQKEAAH-AWEZNQCLSA-N 0 0 405.317 4.950 50 0 HJAARN CCc1ccccc1NC(=O)[C@@H]1CCCN(c2nccnc2Oc2ccc(C)cc2)C1 ZINC000064452331 569062849 /nfs/dbraw/zinc/06/28/49/569062849.db2.gz UFVIDEOPNJEFQD-HXUWFJFHSA-N 0 0 416.525 4.995 50 0 HJAARN CC[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccccc1 ZINC000006529878 569063425 /nfs/dbraw/zinc/06/34/25/569063425.db2.gz PVEVCNJJRPZOBL-QFIPXVFZSA-N 0 0 408.523 4.644 50 0 HJAARN CCC[C@@H](C)NC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000006541561 569064741 /nfs/dbraw/zinc/06/47/41/569064741.db2.gz XMLRKNAJWPBHLW-CQSZACIVSA-N 0 0 402.420 4.872 50 0 HJAARN CC(C)c1cccc(C(C)C)c1NC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O ZINC000006540938 569064754 /nfs/dbraw/zinc/06/47/54/569064754.db2.gz NOZWSPJZGIOPSP-UHFFFAOYSA-N 0 0 413.562 4.907 50 0 HJAARN CCCCCCOC(=O)c1ccc(OC(=O)c2cncc(Br)c2)cc1 ZINC000002024212 569065051 /nfs/dbraw/zinc/06/50/51/569065051.db2.gz BZBGBDDURLFQFA-UHFFFAOYSA-N 0 0 406.276 4.800 50 0 biogenic HJAARN CCCc1nc2ccccc2c(C(=O)N(CC)CC(=O)NCc2cccs2)c1CC ZINC000006553147 569065543 /nfs/dbraw/zinc/06/55/43/569065543.db2.gz ZQOZPTWSOULREK-UHFFFAOYSA-N 0 0 423.582 4.590 50 0 HJAARN COc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000006553422 569065578 /nfs/dbraw/zinc/06/55/78/569065578.db2.gz XSHRAOPBIHZGSO-UHFFFAOYSA-N 0 0 401.422 4.714 50 0 HJAARN C[C@@H](c1ccc(F)cc1)N1Cc2cc(NC(=O)Cc3cccs3)ccc2OCC1=O ZINC000035909691 569065881 /nfs/dbraw/zinc/06/58/81/569065881.db2.gz RFTUSQSDCGOZQP-HNNXBMFYSA-N 0 0 424.497 4.551 50 0 HJAARN COc1cccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3ccc(F)cc3)cc2)c1 ZINC000035910141 569065915 /nfs/dbraw/zinc/06/59/15/569065915.db2.gz PVJLNDGIULADOM-HSZRJFAPSA-N 0 0 422.481 4.865 50 0 HJAARN O=C(Nc1nnc(SCc2ccc(Br)cc2F)s1)c1ccccc1 ZINC000035924494 569066152 /nfs/dbraw/zinc/06/61/52/569066152.db2.gz QHRNNVYHOLXWEE-UHFFFAOYSA-N 0 0 424.320 4.984 50 0 HJAARN CN(C)c1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3cccs3)cc2)cc1 ZINC000035928421 569066581 /nfs/dbraw/zinc/06/65/81/569066581.db2.gz WLZACMGOQYVXIK-JOCHJYFZSA-N 0 0 423.563 4.845 50 0 HJAARN COc1ccc(NC(=O)Cn2cc(C(=O)COc3ccccc3)c3ccccc32)cc1 ZINC000006570916 569066670 /nfs/dbraw/zinc/06/66/70/569066670.db2.gz DNSWLGGYYUGWAD-UHFFFAOYSA-N 0 0 414.461 4.550 50 0 HJAARN Cc1cccc(-n2nc3nc(N4CCC(C)CC4)nc(-c4ccc(F)cc4)c3c2N)c1 ZINC000035930158 569066701 /nfs/dbraw/zinc/06/67/01/569066701.db2.gz HDPROTVQXCRYQC-UHFFFAOYSA-N 0 0 416.504 4.749 50 0 HJAARN CC(=O)c1ccc(O[C@H](C)C(=O)N(C2=N[C@@H](C)CS2)c2ccc(Cl)cc2)cc1 ZINC000006578552 569066913 /nfs/dbraw/zinc/06/69/13/569066913.db2.gz RMJPBKBWSPLBAK-DZGCQCFKSA-N 0 0 416.930 4.834 50 0 HJAARN Cc1ccc(COCc2nn(C)c3c2CN(C(=O)Nc2cc(C)ccc2C)CC3)cc1 ZINC000064565877 569067105 /nfs/dbraw/zinc/06/71/05/569067105.db2.gz YFZHACBIUYLKSF-UHFFFAOYSA-N 0 0 418.541 4.652 50 0 HJAARN COc1cccc2c(Nc3ccc(F)cc3C)cc(C(=O)N3CCSCC3)nc12 ZINC000064568511 569067583 /nfs/dbraw/zinc/06/75/83/569067583.db2.gz ZNIQUXQEKSVCIW-UHFFFAOYSA-N 0 0 411.502 4.624 50 0 HJAARN COc1ccc(C(=O)Nc2ccc(-c3nc(-c4cccc(C)c4)no3)cc2)cc1OC ZINC000064580020 569068406 /nfs/dbraw/zinc/06/84/06/569068406.db2.gz DJMOYCQZXZWUDO-UHFFFAOYSA-N 0 0 415.449 4.982 50 0 HJAARN Cc1cccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccccc3F)n2)c1 ZINC000064579573 569068428 /nfs/dbraw/zinc/06/84/28/569068428.db2.gz AFZHYBOVAVMPEU-UHFFFAOYSA-N 0 0 403.413 4.869 50 0 HJAARN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000006590738 569068639 /nfs/dbraw/zinc/06/86/39/569068639.db2.gz YWHOOYGESHOUGJ-UHFFFAOYSA-N 0 0 414.509 4.628 50 0 HJAARN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(=O)C(C)C ZINC000035965456 569069180 /nfs/dbraw/zinc/06/91/80/569069180.db2.gz RDJFRYIYHBOVKR-UHFFFAOYSA-N 0 0 407.514 4.510 50 0 HJAARN CC[C@H](C)N(Cc1c(-c2ccccc2)nn(C)c1N(C)C)C(=O)c1cccc(F)c1 ZINC000035970123 569069404 /nfs/dbraw/zinc/06/94/04/569069404.db2.gz MQJKRRNDOPQNDD-KRWDZBQOSA-N 0 0 408.521 4.733 50 0 HJAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1N(C)C)C(=O)c1ccccc1Cl ZINC000035970151 569069432 /nfs/dbraw/zinc/06/94/32/569069432.db2.gz YBQBVXJILRNJDR-UHFFFAOYSA-N 0 0 410.949 4.859 50 0 HJAARN COc1ccc(CN(C)C(=O)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2C)cc1F ZINC000089547845 569070118 /nfs/dbraw/zinc/07/01/18/569070118.db2.gz HBOMHRBBOATUGG-UHFFFAOYSA-N 0 0 421.394 4.824 50 0 HJAARN O=c1c2ccc3c(c2occ1-c1ccc(Cl)cc1)CN(Cc1ccncc1)CO3 ZINC000054313306 569070672 /nfs/dbraw/zinc/07/06/72/569070672.db2.gz HIEFNPLPPAZXGC-UHFFFAOYSA-N 0 0 404.853 4.861 50 0 HJAARN CC1CCN(c2ccc(-c3cccc(NC(=O)NCc4cccc(F)c4)c3)nn2)CC1 ZINC000064611060 569071352 /nfs/dbraw/zinc/07/13/52/569071352.db2.gz WMDDYARFVPZAQB-UHFFFAOYSA-N 0 0 419.504 4.841 50 0 HJAARN CCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C1CC1 ZINC000035980841 569071901 /nfs/dbraw/zinc/07/19/01/569071901.db2.gz PRSPAQVQLKBXIA-UHFFFAOYSA-N 0 0 420.513 4.582 50 0 HJAARN Cc1cc(C(=O)Cn2cccc(C(F)(F)F)c2=O)c(C)n1[C@H](C)c1ccccc1 ZINC000027064183 569072452 /nfs/dbraw/zinc/07/24/52/569072452.db2.gz YWJFPSLIRNKPID-OAHLLOKOSA-N 0 0 402.416 4.778 50 0 HJAARN Cc1ccc(-c2ncc(C(=O)NCc3ccccc3)c(N3CCCC[C@H]3C)n2)cc1 ZINC000035987975 569074162 /nfs/dbraw/zinc/07/41/62/569074162.db2.gz PVBREVPYRHMJGL-LJQANCHMSA-N 0 0 400.526 4.761 50 0 HJAARN Cc1scc2nc(C3CCC3)nc(N3CCC(C(=O)NCc4ccccc4)CC3)c12 ZINC000064612409 569074482 /nfs/dbraw/zinc/07/44/82/569074482.db2.gz DOTQXFWWIIQUHA-UHFFFAOYSA-N 0 0 420.582 4.800 50 0 HJAARN CC(=O)c1cccc(NC(=O)Cc2c(C)c3c4occ(C)c4c(C)cc3oc2=O)c1 ZINC000006624439 569075589 /nfs/dbraw/zinc/07/55/89/569075589.db2.gz MZYMMPMYMYRNFQ-UHFFFAOYSA-N 0 0 403.434 4.848 50 0 biogenic HJAARN Cc1ccc([C@@H]2c3cccn3CCN2C(=O)CCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000036009786 569075677 /nfs/dbraw/zinc/07/56/77/569075677.db2.gz IFAHNYDUVOTTPA-AREMUKBSSA-N 0 0 415.537 4.764 50 0 HJAARN CCCN(Cc1cc(-c2cc(OC)c(OC)c(OC)c2)on1)C(=O)c1ccc(C)cc1 ZINC000036012441 569075794 /nfs/dbraw/zinc/07/57/94/569075794.db2.gz FBEQJWSYLJLLEN-UHFFFAOYSA-N 0 0 424.497 4.728 50 0 HJAARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2ccc(F)c(F)c2)cc1 ZINC000064656827 569076979 /nfs/dbraw/zinc/07/69/79/569076979.db2.gz YFFFAAVKWRMMML-CQSZACIVSA-N 0 0 419.474 4.642 50 0 HJAARN Cc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1 ZINC000064660365 569077888 /nfs/dbraw/zinc/07/78/88/569077888.db2.gz OBRDBAMFZJGFBM-UHFFFAOYSA-N 0 0 404.944 4.519 50 0 HJAARN Cc1c(Cl)cccc1S(=O)(=O)N1CCc2nc(-c3ccccc3)sc2C1 ZINC000064660523 569077912 /nfs/dbraw/zinc/07/79/12/569077912.db2.gz GTMQEPNWXWCUEM-UHFFFAOYSA-N 0 0 404.944 4.519 50 0 HJAARN CCOc1ccccc1CNC(=O)c1ccc2cnn(Cc3ccc(F)cc3)c2c1 ZINC000064664818 569078152 /nfs/dbraw/zinc/07/81/52/569078152.db2.gz GJIJWJTTWVVIHF-UHFFFAOYSA-N 0 0 403.457 4.552 50 0 HJAARN COc1ccc(/C=C/C(=O)N2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000006642420 569078305 /nfs/dbraw/zinc/07/83/05/569078305.db2.gz XAXWXKBSOOOXDQ-URPVNOKNSA-N 0 0 421.537 4.612 50 0 biogenic HJAARN CCOC(=O)c1ccc(OC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 ZINC000064666277 569078383 /nfs/dbraw/zinc/07/83/83/569078383.db2.gz XUNQQXRLOXXEFY-UHFFFAOYSA-N 0 0 406.463 4.791 50 0 HJAARN Cc1c(S(=O)(=O)NCc2ccccc2)cc(-c2nc(-c3ccccc3)cs2)n1C ZINC000064668091 569078633 /nfs/dbraw/zinc/07/86/33/569078633.db2.gz JCBGTAOUTMZQPU-UHFFFAOYSA-N 0 0 423.563 4.603 50 0 HJAARN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(Cl)cc3C)c(C)n2C)sc1C ZINC000064668301 569078681 /nfs/dbraw/zinc/07/86/81/569078681.db2.gz SGMJGMAXNYEVNR-UHFFFAOYSA-N 0 0 409.964 4.836 50 0 HJAARN O=C(C[C@@H]1COc2ccc(Cl)cc2N1Cc1ccccc1)NCc1ccc(F)cc1 ZINC000064663819 569079740 /nfs/dbraw/zinc/07/97/40/569079740.db2.gz VOOQIYRUJAYRGE-OAQYLSRUSA-N 0 0 424.903 4.953 50 0 HJAARN CC[C@@H](C)NC(=O)CCc1c(-c2ccc(Br)cc2)nc2ccccn21 ZINC000064675748 569080224 /nfs/dbraw/zinc/08/02/24/569080224.db2.gz LSOCIHNWPZBYOV-CQSZACIVSA-N 0 0 400.320 4.611 50 0 HJAARN Cc1ccc(NC(=O)Cc2nc(CSc3nc4ccccc4n3C)cs2)cc1 ZINC000006648615 569080948 /nfs/dbraw/zinc/08/09/48/569080948.db2.gz RFCHUHCUQADLSS-UHFFFAOYSA-N 0 0 408.552 4.812 50 0 HJAARN COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)CC(C)C)N(Cc1cccc(C)c1)CC2 ZINC000036043146 569082502 /nfs/dbraw/zinc/08/25/02/569082502.db2.gz OLZMJHFNJLMXNH-BCHFMIIMSA-N 0 0 424.585 4.662 50 0 HJAARN O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCC[C@H]1c1cccs1 ZINC000006654200 569082774 /nfs/dbraw/zinc/08/27/74/569082774.db2.gz CGPYTSCNBHSOTD-IBGZPJMESA-N 0 0 400.507 4.973 50 0 HJAARN COc1ccc(OCCCn2c3ccccc3nc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000006658513 569083403 /nfs/dbraw/zinc/08/34/03/569083403.db2.gz RJMGDGFYEIJIQA-SFHVURJKSA-N 0 0 421.541 4.628 50 0 HJAARN O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(Br)o1 ZINC000006664278 569085998 /nfs/dbraw/zinc/08/59/98/569085998.db2.gz UAKYWTWYFKLHMO-INIZCTEOSA-N 0 0 410.271 4.632 50 0 HJAARN COCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1cccc(OC)c1 ZINC000006665595 569086098 /nfs/dbraw/zinc/08/60/98/569086098.db2.gz BZYPRQYJUZKDQW-UHFFFAOYSA-N 0 0 418.497 4.556 50 0 HJAARN O=C(c1coc(CN(Cc2ccccc2)Cc2cccc(Cl)c2)n1)N1CCCC1 ZINC000036072291 569086461 /nfs/dbraw/zinc/08/64/61/569086461.db2.gz GTSHKCQUAPSHNC-UHFFFAOYSA-N 0 0 409.917 4.766 50 0 HJAARN CCCCCCC(=O)Nc1ccc(-n2nc(OC)nc2-c2ccc3c(c2)OCO3)cc1 ZINC000006675609 569087372 /nfs/dbraw/zinc/08/73/72/569087372.db2.gz QNBFXDFHBWCDJQ-UHFFFAOYSA-N 0 0 422.485 4.581 50 0 HJAARN CC(C)CS(=O)(=O)c1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1 ZINC000064747880 569089133 /nfs/dbraw/zinc/08/91/33/569089133.db2.gz XSMYUTNEDROBFX-UHFFFAOYSA-N 0 0 408.932 4.632 50 0 HJAARN COc1ccc(-c2nccc([C@H]3CCCN(C(=O)Cc4ccccc4Cl)C3)n2)cc1 ZINC000064747985 569089260 /nfs/dbraw/zinc/08/92/60/569089260.db2.gz ZGOVUYODBQNISX-IBGZPJMESA-N 0 0 421.928 4.754 50 0 HJAARN CCc1csc(-c2ccc(S(=O)(=O)NCc3ccc(F)c(Cl)c3)s2)n1 ZINC000064769351 569092592 /nfs/dbraw/zinc/09/25/92/569092592.db2.gz WNZPKHUVNMOPIL-UHFFFAOYSA-N 0 0 416.952 4.705 50 0 HJAARN CCc1csc(-c2ccc(S(=O)(=O)NCc3c(C)cc(C)cc3C)s2)n1 ZINC000064769397 569092683 /nfs/dbraw/zinc/09/26/83/569092683.db2.gz QBWXEQOCAFNLLO-UHFFFAOYSA-N 0 0 406.598 4.838 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccccc1)CC2=O ZINC000064775498 569093523 /nfs/dbraw/zinc/09/35/23/569093523.db2.gz MGVQAVQVUOFKET-HNNXBMFYSA-N 0 0 406.869 4.502 50 0 HJAARN CC[C@H](C)N(Cc1csc(COc2ccc(OC)cc2)n1)C(=O)NC(C)(C)C ZINC000036115128 569094164 /nfs/dbraw/zinc/09/41/64/569094164.db2.gz GTIVTWAKDWCGQG-HNNXBMFYSA-N 0 0 405.564 4.839 50 0 HJAARN O=C(NC1CCCCCCC1)c1cnc2scc(-c3ccccc3Cl)n2c1=O ZINC000064788033 569094331 /nfs/dbraw/zinc/09/43/31/569094331.db2.gz RQPMNPRDCASSRJ-UHFFFAOYSA-N 0 0 415.946 4.919 50 0 HJAARN Cc1cc(Nc2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)nc(N2CCCC2)n1 ZINC000064800819 569097560 /nfs/dbraw/zinc/09/75/60/569097560.db2.gz RURUUTVQPZDWEP-UHFFFAOYSA-N 0 0 401.514 4.998 50 0 HJAARN CCCCOc1ccc(C(=O)Nc2ccc(-c3nn4c(C)nnc4s3)cc2)cc1 ZINC000006720851 569098930 /nfs/dbraw/zinc/09/89/30/569098930.db2.gz QVFHXJLZIIHVHD-UHFFFAOYSA-N 0 0 407.499 4.592 50 0 HJAARN CCNC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2cccc(C)c2)[C@H](C)C(C)C)c1 ZINC000006722413 569099576 /nfs/dbraw/zinc/09/95/76/569099576.db2.gz XYWTZXWLIOQCRS-LJQANCHMSA-N 0 0 424.589 4.889 50 0 HJAARN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccccc2)C(=O)NC(C)C)c1 ZINC000006722740 569099817 /nfs/dbraw/zinc/09/98/17/569099817.db2.gz JHZCBSPAPKPYFF-UHFFFAOYSA-N 0 0 424.589 4.857 50 0 HJAARN CC[C@@H](C)N(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)C(=O)NC(C)(C)C ZINC000006722974 569099873 /nfs/dbraw/zinc/09/98/73/569099873.db2.gz HTQWWWYGPCNHHZ-QGZVFWFLSA-N 0 0 404.599 4.846 50 0 HJAARN CN(C)c1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)CC(C)(C)C)c2)cc1 ZINC000006724361 569100101 /nfs/dbraw/zinc/10/01/01/569100101.db2.gz OFTMIDPVAQLXMD-QFIPXVFZSA-N 0 0 411.571 4.906 50 0 HJAARN Cn1cc([C@H](CC(=O)N2CCOCC2)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000006724584 569100246 /nfs/dbraw/zinc/10/02/46/569100246.db2.gz BQUGFJWSYHLWKC-LJQANCHMSA-N 0 0 416.443 4.578 50 0 HJAARN CC1(C)CN(C(=O)C2CCC2)[C@]2(S1)c1ccccc1N(Cc1ccccc1)C2=O ZINC000036152937 569100290 /nfs/dbraw/zinc/10/02/90/569100290.db2.gz AGFCJGFPEXGXQS-DEOSSOPVSA-N 0 0 406.551 4.540 50 0 HJAARN COc1ccc(Cn2ccnc2CN(CC2CC2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000006723555 569100381 /nfs/dbraw/zinc/10/03/81/569100381.db2.gz LWUQNMGRWWCPTO-UHFFFAOYSA-N 0 0 409.917 4.646 50 0 HJAARN CCc1cccc2c([C@H](CC(=O)NCc3ccncc3)c3ccccc3OC)c[nH]c21 ZINC000006724835 569100801 /nfs/dbraw/zinc/10/08/01/569100801.db2.gz DCAZGOREEALYCQ-JOCHJYFZSA-N 0 0 413.521 4.972 50 0 HJAARN Cc1ccc(CN2c3ccc(F)cc3[C@]3(SCCN3C(=O)C3CCCC3)C2=O)cc1 ZINC000036165263 569103247 /nfs/dbraw/zinc/10/32/47/569103247.db2.gz NBKXDXXZYMFUJR-DEOSSOPVSA-N 0 0 424.541 4.599 50 0 HJAARN CCc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nccs2)cc1 ZINC000006732805 569103898 /nfs/dbraw/zinc/10/38/98/569103898.db2.gz BJGLAWJOOIFBHD-IBGZPJMESA-N 0 0 402.475 4.870 50 0 HJAARN CN(CCc1noc(C2CCCCC2)n1)C(=O)Nc1cccc(Br)c1 ZINC000064839725 569105334 /nfs/dbraw/zinc/10/53/34/569105334.db2.gz AAUGJXORGPTCQJ-UHFFFAOYSA-N 0 0 407.312 4.586 50 0 HJAARN COc1cc(OC)c(NC(=O)c2c3c(nn2C)-c2ccccc2SC3)cc1Cl ZINC000006738705 569105432 /nfs/dbraw/zinc/10/54/32/569105432.db2.gz WNVLCYRXJFCOOH-UHFFFAOYSA-N 0 0 415.902 4.616 50 0 HJAARN CCc1ccc(OCc2nc(CCN(C)C(=O)Nc3ccccc3Cl)no2)cc1 ZINC000064840457 569105552 /nfs/dbraw/zinc/10/55/52/569105552.db2.gz XUYQNFGDXZRJSC-UHFFFAOYSA-N 0 0 414.893 4.571 50 0 HJAARN O=C(CSc1nc(-c2ccccc2)nc2c1Cc1ccccc1O2)N1CCCCC1 ZINC000006738934 569105558 /nfs/dbraw/zinc/10/55/58/569105558.db2.gz FWPYFQBXLWMNKP-UHFFFAOYSA-N 0 0 417.534 4.945 50 0 HJAARN CCc1ccc(OCc2nc(CCN(C)C(=O)Nc3ccc(C)c(C)c3)no2)cc1 ZINC000064840439 569105586 /nfs/dbraw/zinc/10/55/86/569105586.db2.gz QVNFUOYMEMGCQE-UHFFFAOYSA-N 0 0 408.502 4.534 50 0 HJAARN COc1ccc(NC[C@@H]2[C@H](Oc3ccc(Cl)cc3)C(=O)N2c2ccccc2C)cc1 ZINC000006745460 569107680 /nfs/dbraw/zinc/10/76/80/569107680.db2.gz UJNWGDLPKFIPSV-PKTZIBPZSA-N 0 0 422.912 4.932 50 0 HJAARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@H](c2cccc(F)c2F)CC(=O)N3)cc1 ZINC000006748320 569108609 /nfs/dbraw/zinc/10/86/09/569108609.db2.gz FRRFWQOEBYGZNI-AWEZNQCLSA-N 0 0 413.449 4.535 50 0 HJAARN COc1ccc(OC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)cc1 ZINC000006747998 569108692 /nfs/dbraw/zinc/10/86/92/569108692.db2.gz VCUITPDRVPFIJL-UHFFFAOYSA-N 0 0 404.850 4.789 50 0 HJAARN COc1ccc(-c2cn3c4ccc(C(=O)NCc5ccco5)cc4sc3n2)cc1 ZINC000006748695 569108735 /nfs/dbraw/zinc/10/87/35/569108735.db2.gz DFCJGAOBVGLJQM-UHFFFAOYSA-N 0 0 403.463 4.748 50 0 HJAARN COc1ccc2c(c1)NC1(CCN(C(=O)c3cc(C)cc(C)c3)CC1)c1cccn1-2 ZINC000064858687 569109215 /nfs/dbraw/zinc/10/92/15/569109215.db2.gz ZCNYUKXXGYHXIO-UHFFFAOYSA-N 0 0 401.510 4.660 50 0 biogenic HJAARN C[C@@H](OC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)C(=O)Nc1ccc(F)c(F)c1F ZINC000036203545 569109473 /nfs/dbraw/zinc/10/94/73/569109473.db2.gz LHLRCEJDGBPVBJ-LLVKDONJSA-N 0 0 416.399 4.648 50 0 HJAARN CN(C(=O)Cn1c2cnccc2nc1SCc1cccc(F)c1)c1ccccc1 ZINC000006752240 569110233 /nfs/dbraw/zinc/11/02/33/569110233.db2.gz LXRZMWMBWSNHJV-UHFFFAOYSA-N 0 0 406.486 4.526 50 0 HJAARN CCNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccc(C)cc2)cc1 ZINC000006752387 569110339 /nfs/dbraw/zinc/11/03/39/569110339.db2.gz CGEMSGUHODDZFI-UHFFFAOYSA-N 0 0 416.550 4.830 50 0 HJAARN CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1cccc(OCCC)c1 ZINC000006753000 569111608 /nfs/dbraw/zinc/11/16/08/569111608.db2.gz WMPOCWIBCVHZMY-QHCPKHFHSA-N 0 0 405.498 4.916 50 0 HJAARN Cc1ccc(-c2cc(N3CCC(C(=O)NCCC4=CCCCC4)CC3)ncn2)cc1 ZINC000064872783 569113822 /nfs/dbraw/zinc/11/38/22/569113822.db2.gz CVXXYXQWFJCXIB-UHFFFAOYSA-N 0 0 404.558 4.675 50 0 HJAARN Cc1ccc([C@@H](C)NC(=O)C2CCN(c3cc(-c4cccc(F)c4)ncn3)CC2)cc1 ZINC000064873085 569113925 /nfs/dbraw/zinc/11/39/25/569113925.db2.gz DSCBGFVPHVPXIX-GOSISDBHSA-N 0 0 418.516 4.685 50 0 HJAARN O=C(Nc1cccc(Cl)c1)C1CCN(c2cc(-c3ccc(F)cc3)ncn2)CC1 ZINC000064872398 569113977 /nfs/dbraw/zinc/11/39/77/569113977.db2.gz MJLABDMYKIQSDP-UHFFFAOYSA-N 0 0 410.880 4.791 50 0 HJAARN O=C(COC(=O)c1nccc2ccccc21)Nc1cc(C(F)(F)F)ccc1Cl ZINC000064875270 569114288 /nfs/dbraw/zinc/11/42/88/569114288.db2.gz WPSOWNNSFVRNHW-UHFFFAOYSA-N 0 0 408.763 4.703 50 0 HJAARN CC(C)c1ccc(S(=O)(=O)NCCn2c3ccccc3nc2-c2ccccc2)cc1 ZINC000064888206 569115335 /nfs/dbraw/zinc/11/53/35/569115335.db2.gz AXWZEBCNBGUVIX-UHFFFAOYSA-N 0 0 419.550 4.805 50 0 HJAARN CCc1ccccc1S(=O)(=O)NCCn1c2ccccc2nc1-c1ccc(C)cc1 ZINC000064888047 569115338 /nfs/dbraw/zinc/11/53/38/569115338.db2.gz FQAJKFWOWAURAK-UHFFFAOYSA-N 0 0 419.550 4.553 50 0 HJAARN COc1cccc(N(Cc2ccccc2OC)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000036246522 569116631 /nfs/dbraw/zinc/11/66/31/569116631.db2.gz IJIOAQZHDJHRHC-UHFFFAOYSA-N 0 0 417.914 4.753 50 0 HJAARN COc1ccc(S(=O)(=O)N(Cc2cccc(OC)c2)c2ccc(C)c(F)c2)cc1 ZINC000036247897 569117229 /nfs/dbraw/zinc/11/72/29/569117229.db2.gz MKZYOFUVLRITIR-UHFFFAOYSA-N 0 0 415.486 4.547 50 0 HJAARN COc1cc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2C)cc(OC)c1 ZINC000036248329 569117336 /nfs/dbraw/zinc/11/73/36/569117336.db2.gz QUHWETYOKWCSGA-UHFFFAOYSA-N 0 0 411.523 4.716 50 0 HJAARN COc1ccc(N(Cc2ccc(F)cc2F)S(=O)(=O)c2cccc(F)c2)cc1 ZINC000036248174 569117388 /nfs/dbraw/zinc/11/73/88/569117388.db2.gz QRRNOKPCMCCQET-UHFFFAOYSA-N 0 0 407.413 4.508 50 0 HJAARN Cn1c(=O)cc(SCC(=O)Nc2ccc(F)cc2Cl)c2cc(Cl)ccc21 ZINC000006772503 569117774 /nfs/dbraw/zinc/11/77/74/569117774.db2.gz OHVFNLINOQOQTO-UHFFFAOYSA-N 0 0 411.285 4.715 50 0 HJAARN Cc1cccc(S(=O)(=O)N(c2ccc3c(c2)OCO3)[C@H](C)c2ccc(F)cc2)c1 ZINC000036248559 569118214 /nfs/dbraw/zinc/11/82/14/569118214.db2.gz IRGXKMDIYULWDW-MRXNPFEDSA-N 0 0 413.470 4.819 50 0 HJAARN CC(C)Oc1nc(-c2ccco2)n(-c2ccc(NC(=O)c3cccc(F)c3)cc2)n1 ZINC000006775036 569118403 /nfs/dbraw/zinc/11/84/03/569118403.db2.gz CTEARFVWAQNKQQ-UHFFFAOYSA-N 0 0 406.417 4.706 50 0 HJAARN CCNC(=S)N(CCC(C)C)Cc1c(-c2ccccc2)noc1N(C)C(C)C ZINC000036249674 569119265 /nfs/dbraw/zinc/11/92/65/569119265.db2.gz CLXRIOLCVMAPMX-UHFFFAOYSA-N 0 0 402.608 4.929 50 0 HJAARN CCOC(=O)c1oc2ccccc2c1CSc1nnc(Cc2ccccc2)n1C ZINC000006784368 569120869 /nfs/dbraw/zinc/12/08/69/569120869.db2.gz OQQASIBLQBOPDU-UHFFFAOYSA-N 0 0 407.495 4.621 50 0 HJAARN CCOc1ccccc1NC(=O)c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1 ZINC000064919423 569120876 /nfs/dbraw/zinc/12/08/76/569120876.db2.gz TVWMKZPEXLBDQG-UHFFFAOYSA-N 0 0 402.429 4.724 50 0 HJAARN Cc1ccc(CNC(=O)C2(C)CCN(C(=O)Nc3ccc(C)cc3Cl)CC2)cc1 ZINC000064928064 569123060 /nfs/dbraw/zinc/12/30/60/569123060.db2.gz BOMJJVRFQSYMBG-UHFFFAOYSA-N 0 0 413.949 4.907 50 0 HJAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN3C(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000064930586 569124309 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CCOc1ccc(Nc2nc(-c3nnn(-c4cc(F)ccc4F)c3C)ns2)cc1 ZINC000065134807 569184093 /nfs/dbraw/zinc/18/40/93/569184093.db2.gz IHDBINRQDJMFRJ-UHFFFAOYSA-N 0 0 414.441 4.515 50 0 HJAARN O=C(Nc1ccc2c(c1)ncnc2N1CCCCC1)c1ccccc1Br ZINC000065134963 569184101 /nfs/dbraw/zinc/18/41/01/569184101.db2.gz IBUYBLQJJYYJLC-UHFFFAOYSA-N 0 0 411.303 4.635 50 0 HJAARN Cc1ccc(C(=O)N2CCC[C@@H](c3ccnc(Nc4ccccc4F)n3)C2)cc1F ZINC000065148541 569184379 /nfs/dbraw/zinc/18/43/79/569184379.db2.gz HWPHFTCIRCVOKW-QGZVFWFLSA-N 0 0 408.452 4.827 50 0 HJAARN O=C(Nc1ccc2ncnc(N3CCCCC3)c2c1)c1ccccc1Br ZINC000065149098 569184480 /nfs/dbraw/zinc/18/44/80/569184480.db2.gz VJDFXDNEONGIIR-UHFFFAOYSA-N 0 0 411.303 4.635 50 0 HJAARN O=C(Nc1ccc2ncnc(N3CCCCC3)c2c1)c1ccccc1C(F)(F)F ZINC000065149118 569184500 /nfs/dbraw/zinc/18/45/00/569184500.db2.gz GWVCEBFFCPRYQE-UHFFFAOYSA-N 0 0 400.404 4.891 50 0 HJAARN COc1ccccc1-c1nc([C@@H]2CCCN(C(=O)c3ccc(C(C)C)cc3)C2)no1 ZINC000065149502 569184585 /nfs/dbraw/zinc/18/45/85/569184585.db2.gz 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COc1ccc(OC)c(NC(=O)c2cc(C)nc3onc(-c4ccc(F)cc4)c32)c1 ZINC000036613619 569209417 /nfs/dbraw/zinc/20/94/17/569209417.db2.gz WXJOOJPQSZRQRB-UHFFFAOYSA-N 0 0 407.401 4.607 50 0 HJAARN O=C(NCC(F)F)c1cc(-c2cccs2)nc2onc(-c3ccccc3F)c21 ZINC000036618344 569209921 /nfs/dbraw/zinc/20/99/21/569209921.db2.gz WKLGQKFVWGPDCM-UHFFFAOYSA-N 0 0 403.385 4.752 50 0 HJAARN CN1c2ccc(NC(=O)c3ccc(F)cc3Cl)cc2Sc2ncccc2C1=O ZINC000065258390 569210222 /nfs/dbraw/zinc/21/02/22/569210222.db2.gz QLEKIJYUELGJSO-UHFFFAOYSA-N 0 0 413.861 4.868 50 0 HJAARN CN1c2ccc(NC(=O)Cc3cccc(Cl)c3)cc2Sc2ncccc2C1=O ZINC000065258404 569210234 /nfs/dbraw/zinc/21/02/34/569210234.db2.gz HXHNIXGKEAKZMH-UHFFFAOYSA-N 0 0 409.898 4.657 50 0 HJAARN COc1ccccc1C(=O)Nc1ccc2c(c1)Sc1ncccc1C(=O)N2C(C)C ZINC000065258556 569210275 /nfs/dbraw/zinc/21/02/75/569210275.db2.gz BPMHAZRKJCCQHS-UHFFFAOYSA-N 0 0 419.506 4.862 50 0 HJAARN CCN1c2ccc(NC(=O)Cc3cccc(F)c3)cc2Sc2ncccc2C1=O ZINC000065258478 569210304 /nfs/dbraw/zinc/21/03/04/569210304.db2.gz 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569246005 /nfs/dbraw/zinc/24/60/05/569246005.db2.gz XKXZKPASVLOYRJ-UHFFFAOYSA-N 0 0 423.488 4.586 50 0 HJAARN O=C(COc1ccc(Cl)c(Cl)c1)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC000170613706 569246802 /nfs/dbraw/zinc/24/68/02/569246802.db2.gz SOMKDFQVQOVJMM-UHFFFAOYSA-N 0 0 414.716 4.848 50 0 HJAARN O=C1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CN1c1ccc(F)cc1 ZINC000007545028 569248689 /nfs/dbraw/zinc/24/86/89/569248689.db2.gz HHEQEHVMSANJMW-GOSISDBHSA-N 0 0 415.468 4.775 50 0 HJAARN O=C(CSc1nnc(-c2cccs2)n1C1CC1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000007546400 569248954 /nfs/dbraw/zinc/24/89/54/569248954.db2.gz HBBUNBQTSZBVQF-ZBFHGGJFSA-N 0 0 402.589 4.615 50 0 HJAARN CCn1c(SCC(=O)OCc2c(F)cccc2Cl)nnc1-c1ccccc1 ZINC000007556898 569249195 /nfs/dbraw/zinc/24/91/95/569249195.db2.gz TVAWKOOZQLGZHY-UHFFFAOYSA-N 0 0 405.882 4.593 50 0 HJAARN O=C(Nc1ccc(NC2CCOCC2)cc1)C1(c2ccccc2Cl)CCOCC1 ZINC000170623025 569249666 /nfs/dbraw/zinc/24/96/66/569249666.db2.gz ICCLTZWGFOOJDK-UHFFFAOYSA-N 0 0 414.933 4.618 50 0 HJAARN 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O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000013324713 569254976 /nfs/dbraw/zinc/25/49/76/569254976.db2.gz LOCPSEFXGBVRAR-UHFFFAOYSA-N 0 0 403.857 4.770 50 0 HJAARN Nc1cccc(S[C@H]2CC(=O)N(c3ccc(/C=C/c4ccccc4)cc3)C2=O)c1 ZINC000013576546 569256151 /nfs/dbraw/zinc/25/61/51/569256151.db2.gz IJUMOZLRTOSJJM-CZQLGGELSA-N 0 0 400.503 4.863 50 0 HJAARN CCCCC(=O)Nc1ccc(S[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000013578951 569256218 /nfs/dbraw/zinc/25/62/18/569256218.db2.gz RHSQVSHCXWIHHF-FQEVSTJZSA-N 0 0 410.539 4.856 50 0 HJAARN C[C@@H]1CCCC[C@@H]1NC(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000013579431 569256460 /nfs/dbraw/zinc/25/64/60/569256460.db2.gz NHHILIHHXWJECQ-ITVFJIHRSA-N 0 0 401.510 4.634 50 0 HJAARN CC(C)(C)c1ccc(OCC(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CC3)cc1 ZINC000013695455 569256993 /nfs/dbraw/zinc/25/69/93/569256993.db2.gz GJIXHQUWKWPDBP-UHFFFAOYSA-N 0 0 418.493 4.798 50 0 HJAARN CCOc1ccc2ccccc2c1C(=O)Nc1ccc(CC(=O)N2CCCC2)cc1 ZINC000013714142 569257357 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Cc1cc(NC(=O)c2c(F)cccc2F)n(-c2nc(-c3cccs3)cs2)n1 ZINC000017012047 569271416 /nfs/dbraw/zinc/27/14/16/569271416.db2.gz FYOCMFJVQWVKRX-UHFFFAOYSA-N 0 0 402.451 4.896 50 0 HJAARN Cc1cc(Oc2cc(N3CCN(C(=O)CC(C)(C)C)[C@@H](C)C3)ncn2)ccc1Cl ZINC000037356489 569272900 /nfs/dbraw/zinc/27/29/00/569272900.db2.gz HTLLDTIHJRVGDR-INIZCTEOSA-N 0 0 416.953 4.704 50 0 HJAARN Cc1cc(NC(=O)COc2ccccc2C)n(-c2nc(-c3cccs3)cs2)n1 ZINC000017136066 569275330 /nfs/dbraw/zinc/27/53/30/569275330.db2.gz AYPBHOMNEUTMJU-UHFFFAOYSA-N 0 0 410.524 4.692 50 0 HJAARN O=C(CSc1nccn1Cc1ccc(F)cc1)Nc1ccc(Br)cc1 ZINC000017155969 569275866 /nfs/dbraw/zinc/27/58/66/569275866.db2.gz MDMGBKAQHLYLKL-UHFFFAOYSA-N 0 0 420.307 4.564 50 0 HJAARN O=C(NCCc1csc2nc(-c3cccs3)nn12)c1ccccc1C(F)(F)F ZINC000017170809 569276086 /nfs/dbraw/zinc/27/60/86/569276086.db2.gz UPIZMSAYGUOYFR-UHFFFAOYSA-N 0 0 422.457 4.511 50 0 HJAARN Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)C(=O)Nc2nc(-c3ccccc3F)cs2)C1 ZINC000170634783 569276163 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O=C(NCc1cccs1)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000001062171 569277250 /nfs/dbraw/zinc/27/72/50/569277250.db2.gz HAQFNNSPIUYCPR-HZPDHXFCSA-N 0 0 406.433 4.535 50 0 HJAARN COC(=O)c1ccc(COc2ccc3c(c2)occ(Oc2ccccc2)c3=O)cc1 ZINC000001123940 569277369 /nfs/dbraw/zinc/27/73/69/569277369.db2.gz BNASPAVIROYRFX-UHFFFAOYSA-N 0 0 402.402 4.951 50 0 HJAARN CCCCCCCCCCCCC[C@@H](O)CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C ZINC000096094909 569279258 /nfs/dbraw/zinc/27/92/58/569279258.db2.gz XKAZIAFZAQAHHG-NHCUHLMSSA-O 0 0 416.623 4.531 50 0 in-vitro HJAARN CC(=O)c1ccc(NC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)cc1 ZINC000002094116 569280729 /nfs/dbraw/zinc/28/07/29/569280729.db2.gz RFQJWIGRVFXBSA-UHFFFAOYSA-N 0 0 403.434 4.930 50 0 biogenic HJAARN Cc1csc(N2CCC(C(=O)N[C@H](c3ccc(Cl)cc3)[C@@H]3C[C@@H]3C)CC2)n1 ZINC000170640563 569283361 /nfs/dbraw/zinc/28/33/61/569283361.db2.gz YNMZDHBUEWVQLD-MJXNMMHHSA-N 0 0 403.979 4.835 50 0 HJAARN CC(C)CNc1nc2nn(-c3ccc(F)cc3)c(N)c2c(-c2ccc(F)cc2F)n1 ZINC000037361080 569283526 /nfs/dbraw/zinc/28/35/26/569283526.db2.gz JNJRXNCRSXQHAN-UHFFFAOYSA-N 0 0 412.419 4.550 50 0 HJAARN COc1cccc(-c2cc(C(=O)N3CCCC[C@@H](c4ccc(F)cc4)C3)n(C)n2)c1 ZINC000208002005 569286879 /nfs/dbraw/zinc/28/68/79/569286879.db2.gz RRTPFWMHUCNYNQ-LJQANCHMSA-N 0 0 407.489 4.645 50 0 HJAARN Cc1nc(-c2ccccc2NC(=O)[C@H](C)n2nc(-c3cccs3)ccc2=O)cs1 ZINC000208009046 569286899 /nfs/dbraw/zinc/28/68/99/569286899.db2.gz XNUJIYSHIHJEPE-ZDUSSCGKSA-N 0 0 422.535 4.603 50 0 HJAARN CCOC(=O)CCc1c(C)c2ccc(O[C@H](C)C(=O)c3ccccc3)c(C)c2oc1=O ZINC000002137468 569287447 /nfs/dbraw/zinc/28/74/47/569287447.db2.gz GNIZQQLYHIOWKE-QGZVFWFLSA-N 0 0 422.477 4.556 50 0 biogenic HJAARN COc1ccc(CCN(C)c2cc(Oc3ccc(F)c(Cl)c3)ncn2)cc1OC ZINC000037377181 569288230 /nfs/dbraw/zinc/28/82/30/569288230.db2.gz JQXOGIFNHNLCAX-UHFFFAOYSA-N 0 0 417.868 4.758 50 0 HJAARN COc1ccc2c(c1)c(C(=O)COc1cc(C)cc3oc(=O)c(C)c(C)c13)c(C)n2C ZINC000002148544 569289802 /nfs/dbraw/zinc/28/98/02/569289802.db2.gz IJSIZKDXBZJHDI-UHFFFAOYSA-N 0 0 419.477 4.789 50 0 biogenic HJAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)NCc1ccccc1Cl ZINC000002151871 569290138 /nfs/dbraw/zinc/29/01/38/569290138.db2.gz YLWHSRUWEDQASC-UHFFFAOYSA-N 0 0 419.864 4.809 50 0 biogenic HJAARN CCCCOc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1OC ZINC000002199608 569294761 /nfs/dbraw/zinc/29/47/61/569294761.db2.gz RCUPFKVWIWDNDX-QBQQZWISSA-N 0 0 420.553 4.901 50 0 HJAARN O=C(CCn1c(Cc2ccccc2F)nc2ccccc21)NCc1ccc(F)cc1 ZINC000037385644 569295288 /nfs/dbraw/zinc/29/52/88/569295288.db2.gz FCVGICZQEUJSDC-UHFFFAOYSA-N 0 0 405.448 4.612 50 0 HJAARN COc1ccc(CCn2c(C)cc(C(=O)CSc3nnc(C)n3C3CC3)c2C)cc1 ZINC000007617518 569296081 /nfs/dbraw/zinc/29/60/81/569296081.db2.gz MNNHHAYVUQZXLE-UHFFFAOYSA-N 0 0 424.570 4.566 50 0 HJAARN Cc1ccccc1-n1c2nnc(S)n2c2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 ZINC000002209297 569297119 /nfs/dbraw/zinc/29/71/19/569297119.db2.gz SZNLGUSYINQWDT-ZDUSSCGKSA-N 0 0 424.595 4.843 50 0 HJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3c[nH]c4ccccc43)o2)c1C ZINC000007645815 569298494 /nfs/dbraw/zinc/29/84/94/569298494.db2.gz QYCUZLMTDNXJHH-ZDUSSCGKSA-N 0 0 408.483 4.729 50 0 HJAARN C[C@@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccc2c(c1)OCO2 ZINC000007657092 569299259 /nfs/dbraw/zinc/29/92/59/569299259.db2.gz DRXIQJQKOKZGAB-SECBINFHSA-N 0 0 402.661 4.632 50 0 HJAARN O=C(c1ccccc1F)N(Cc1ccc(F)cc1)C[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000037440814 569299631 /nfs/dbraw/zinc/29/96/31/569299631.db2.gz HYJJYCDDQAGGRN-HXUWFJFHSA-N 0 0 424.422 4.940 50 0 HJAARN CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000007669044 569299824 /nfs/dbraw/zinc/29/98/24/569299824.db2.gz FMVHOWCCBQWSSJ-UHFFFAOYSA-N 0 0 414.571 4.970 50 0 HJAARN C[C@H](Sc1nncn1-c1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000007677757 569300314 /nfs/dbraw/zinc/30/03/14/569300314.db2.gz QSYSHVYEFOBLSH-SFHVURJKSA-N 0 0 414.534 4.654 50 0 HJAARN Cn1cc(C(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)c2ccccc21 ZINC000065878644 569300692 /nfs/dbraw/zinc/30/06/92/569300692.db2.gz OPEXBDWESDECPT-UHFFFAOYSA-N 0 0 408.299 4.621 50 0 biogenic HJAARN Cc1csc(N(C(=O)COc2ccc3c(C)cc(=O)oc3c2)c2ccccc2)n1 ZINC000007688876 569300863 /nfs/dbraw/zinc/30/08/63/569300863.db2.gz HWUGESJIFRZVFF-UHFFFAOYSA-N 0 0 406.463 4.610 50 0 HJAARN C[C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)CCN1C(=O)Nc1cccc(Cl)c1 ZINC000037522198 569303146 /nfs/dbraw/zinc/30/31/46/569303146.db2.gz WGTVBQSHIHLVBL-LBPRGKRZSA-N 0 0 411.811 4.628 50 0 HJAARN C[C@H](NC(=O)CSc1nnc(Nc2ccccc2)s1)c1cc2ccccc2o1 ZINC000007733769 569304417 /nfs/dbraw/zinc/30/44/17/569304417.db2.gz FPICJTRXCHDFBT-ZDUSSCGKSA-N 0 0 410.524 4.997 50 0 HJAARN Cc1ccc(OCc2nc3ccccc3n2CC(=O)Nc2cc(F)ccc2F)cc1 ZINC000007738203 569305174 /nfs/dbraw/zinc/30/51/74/569305174.db2.gz YWYDBRFDAOIAGT-UHFFFAOYSA-N 0 0 407.420 4.841 50 0 HJAARN COc1ccc(Cn2c(C(=O)NC(C)C)cc3sc(Br)cc32)cc1 ZINC000037544268 569305401 /nfs/dbraw/zinc/30/54/01/569305401.db2.gz KGTGUVDKBRENAW-UHFFFAOYSA-N 0 0 407.333 4.660 50 0 HJAARN O=C(Cc1cccs1)Nc1cccc(N2CCCN(Cc3ccccc3F)C2=O)c1 ZINC000037544692 569305501 /nfs/dbraw/zinc/30/55/01/569305501.db2.gz PZIUQQVZELJWOS-UHFFFAOYSA-N 0 0 423.513 4.901 50 0 HJAARN Cc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1CCC1=CCCCC1 ZINC000007747561 569306161 /nfs/dbraw/zinc/30/61/61/569306161.db2.gz DKYLQDVVBIWGGP-UHFFFAOYSA-N 0 0 408.329 4.742 50 0 HJAARN COc1ccccc1C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(C(C)C)cc1)CC2=O ZINC000002211314 569307525 /nfs/dbraw/zinc/30/75/25/569307525.db2.gz HFWKMNCOIAUKLW-GOSISDBHSA-N 0 0 415.493 4.774 50 0 HJAARN Cc1ccc(CN(C)C(=O)CSc2nnc(-c3ccccc3)c3ccccc32)o1 ZINC000007772275 569308472 /nfs/dbraw/zinc/30/84/72/569308472.db2.gz VUTQCOXVTIQAAD-UHFFFAOYSA-N 0 0 403.507 4.949 50 0 HJAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000007779100 569308998 /nfs/dbraw/zinc/30/89/98/569308998.db2.gz ZHXCTASDSLIJKA-HNNXBMFYSA-N 0 0 405.523 4.693 50 0 HJAARN Clc1ccc(-c2nnc(SCCOc3ccccc3)n2C[C@H]2CCCO2)cc1 ZINC000007779958 569309403 /nfs/dbraw/zinc/30/94/03/569309403.db2.gz BQEYNFGIHXLSSJ-LJQANCHMSA-N 0 0 415.946 4.949 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)c1ccccc1OCc1ccccc1 ZINC000007784778 569310436 /nfs/dbraw/zinc/31/04/36/569310436.db2.gz DBTVRECEEYSAEO-UHFFFAOYSA-N 0 0 408.885 4.596 50 0 HJAARN CCOC(=O)c1ccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)cc1 ZINC000002218566 569312050 /nfs/dbraw/zinc/31/20/50/569312050.db2.gz OWTVGGXVGGDHQM-UHFFFAOYSA-N 0 0 400.463 4.874 50 0 HJAARN CC[C@@H](C)COC(=O)c1c(N)n([C@@H](C)c2ccccc2)c2nc3ccccc3nc12 ZINC000002220858 569312894 /nfs/dbraw/zinc/31/28/94/569312894.db2.gz PGKNGIDFLQGFTC-CVEARBPZSA-N 0 0 402.498 4.979 50 0 HJAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1oc2ccc(OC)cc2c1C ZINC000007841884 569314108 /nfs/dbraw/zinc/31/41/08/569314108.db2.gz OOGXCEHZTYWVHG-UHFFFAOYSA-N 0 0 414.889 4.812 50 0 HJAARN COc1ccc(C(=O)Cn2cnc3scc(-c4ccc(C)s4)c3c2=O)cc1F ZINC000007853058 569314663 /nfs/dbraw/zinc/31/46/63/569314663.db2.gz XOKYVPLAICOQMV-UHFFFAOYSA-N 0 0 414.483 4.526 50 0 HJAARN Cc1nn(C)c(C)c1/C=C1\C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@H]1O ZINC000253508527 569317924 /nfs/dbraw/zinc/31/79/24/569317924.db2.gz RPEZSVJLASPKQK-FZKUERHXSA-N 0 0 410.602 4.715 50 0 HJAARN CSc1ncc(-n2c(-c3ccc(C)cc3)csc2=NC(=O)c2ccccc2)cn1 ZINC000252675325 569319528 /nfs/dbraw/zinc/31/95/28/569319528.db2.gz TTXIYPREAXMAGR-UHFFFAOYSA-N 0 0 418.547 4.767 50 0 HJAARN COc1ccc(-n2c(-c3ccc(F)cc3)nc3nc4ccccc4nc32)cc1OC ZINC000002233938 569320397 /nfs/dbraw/zinc/32/03/97/569320397.db2.gz XNDCEGDSHSQRKI-UHFFFAOYSA-N 0 0 400.413 4.792 50 0 HJAARN Cc1ccc([C@@]2(CCNS(=O)(=O)c3ccc(C)cc3)CCO[C@H](C(C)C)C2)cc1 ZINC000002237266 569322145 /nfs/dbraw/zinc/32/21/45/569322145.db2.gz IDNUCAKYMLCODK-ZEQRLZLVSA-N 0 0 415.599 4.745 50 0 HJAARN COc1ccc(C(=O)c2cn(Cc3ccc(C)cc3)c3ccccc3c2=O)cc1OC ZINC000002691631 569322279 /nfs/dbraw/zinc/32/22/79/569322279.db2.gz MDGRZECKNQERCB-UHFFFAOYSA-N 0 0 413.473 4.606 50 0 HJAARN COc1cc2c(cc1OC)[C@H](COc1cc(C)cc(C)c1)N(C(=O)CC(C)C)CC2 ZINC000003006471 569322742 /nfs/dbraw/zinc/32/27/42/569322742.db2.gz QMJUTYYQTJHORY-QFIPXVFZSA-N 0 0 411.542 4.872 50 0 HJAARN COc1cc2c(cc1OC)[C@@H](COc1cc(C)cc(C)c1)N(C(=O)CC(C)C)CC2 ZINC000003006472 569322804 /nfs/dbraw/zinc/32/28/04/569322804.db2.gz QMJUTYYQTJHORY-JOCHJYFZSA-N 0 0 411.542 4.872 50 0 HJAARN Cc1nnc(NC(=O)CSc2cn(Cc3ccc(F)cc3)c3ccccc23)s1 ZINC000003581559 569323168 /nfs/dbraw/zinc/32/31/68/569323168.db2.gz YLWQKKYWIYYZTI-UHFFFAOYSA-N 0 0 412.515 4.719 50 0 HJAARN CC(C)COC(=O)c1c(N)n(Cc2ccccc2Cl)c2nc3ccccc3nc12 ZINC000002246395 569324249 /nfs/dbraw/zinc/32/42/49/569324249.db2.gz CZYDYHNEGOYYKN-UHFFFAOYSA-N 0 0 408.889 4.681 50 0 HJAARN O=C(c1cc2ccccc2oc1=O)N1CCS[C@H]1c1ccc2c3c(cccc31)CC2 ZINC000002279995 569328013 /nfs/dbraw/zinc/32/80/13/569328013.db2.gz PWUKWIFKGPHNFC-DEOSSOPVSA-N 0 0 413.498 4.933 50 0 HJAARN COc1cc2c(cc1OC)[C@]1(Cc3ccc(Cl)cc3)[C@H]3CC=CC[C@@H]3C(=O)N1CC2 ZINC000019798645 569357332 /nfs/dbraw/zinc/35/73/32/569357332.db2.gz BIHDSPSHHZUMPY-RLSLOFABSA-N 0 0 423.940 4.776 50 0 HJAARN C[C@]12CCC[C@@H]1[C@@H]1CC[C@H]3CC4(CC[C@@]3(C)[C@@]1(Br)C(=O)C2)OCCO4 ZINC000025545714 569357685 /nfs/dbraw/zinc/35/76/85/569357685.db2.gz LDUIALZUIXGSBK-VXLMUOIBSA-N 0 0 411.380 4.859 50 0 HJAARN O=C(/C=C/c1ccccc1)Nn1c(=O)c2ccccc2nc1-c1cccc(Cl)c1 ZINC000027528440 569364234 /nfs/dbraw/zinc/36/42/34/569364234.db2.gz KTWXJBAUKTZOMX-BUHFOSPRSA-N 0 0 401.853 4.500 50 0 HJAARN O=C(C=Cc1ccc(Cl)cc1)Nn1c(=O)c2ccccc2nc1-c1ccccc1F ZINC000027528444 569364264 /nfs/dbraw/zinc/36/42/64/569364264.db2.gz LMACRTIYCBLAJJ-KAMYIIQDSA-N 0 0 419.843 4.640 50 0 HJAARN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)c2c(F)cc(C(F)(F)F)cc2F)C1 ZINC000253419558 569367828 /nfs/dbraw/zinc/36/78/28/569367828.db2.gz PLLVHUDTIZZOFO-NWDGAFQWSA-N 0 0 422.394 4.549 50 0 HJAARN O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)OCc1snc(Cl)c1Cl ZINC000253426390 569368341 /nfs/dbraw/zinc/36/83/41/569368341.db2.gz ZRIIXWJHAREJKW-VIFPVBQESA-N 0 0 423.730 4.650 50 0 HJAARN O=C(COc1cccc(Cl)c1)Nc1ccccc1-c1nc2ccccc2[nH]c1=O ZINC000253427342 569368436 /nfs/dbraw/zinc/36/84/36/569368436.db2.gz LSYZLPKEFFRPEF-UHFFFAOYSA-N 0 0 405.841 4.673 50 0 HJAARN CCCCCCNC(=O)c1c(N)n(-c2cccc(F)c2)c2nc3ccccc3nc21 ZINC000002292811 569369457 /nfs/dbraw/zinc/36/94/57/569369457.db2.gz MMOLAUFTPCOAGV-UHFFFAOYSA-N 0 0 405.477 4.605 50 0 HJAARN CCc1ccc(-c2nc3c4cnn(-c5ccc(Cl)c(Cl)c5)c4ncn3n2)cc1 ZINC000002342961 569376329 /nfs/dbraw/zinc/37/63/29/569376329.db2.gz LDDWLMXZVQPAQY-UHFFFAOYSA-N 0 0 409.280 4.999 50 0 HJAARN CC1(C)C=C(CSc2nc3ccccc3s2)c2cc(F)cc3c2N1C(=O)C3=O ZINC000253495605 569381956 /nfs/dbraw/zinc/38/19/56/569381956.db2.gz JZTFXJIHCQBRCO-UHFFFAOYSA-N 0 0 410.495 4.933 50 0 HJAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]21C ZINC000253507477 569382487 /nfs/dbraw/zinc/38/24/87/569382487.db2.gz ZHUOOEGSSFNTNP-XNNOALAKSA-N 0 0 406.607 4.566 50 0 HJAARN Cc1cncc(-c2nc3c(ncn3C(C)C)c(NCCc3c[nH]c4ccccc34)n2)c1 ZINC000091305987 569382936 /nfs/dbraw/zinc/38/29/36/569382936.db2.gz ABXIUYMKZDZUDC-UHFFFAOYSA-N 0 0 411.513 4.914 50 0 HJAARN COc1cc2c(cc1OC)CN(C(=O)CCCOc1ccc(Cl)cc1Cl)CC2 ZINC000002356711 569385479 /nfs/dbraw/zinc/38/54/79/569385479.db2.gz MVQLJTCSSYBLLV-UHFFFAOYSA-N 0 0 424.324 4.755 50 0 HJAARN CC(C)Cn1c(N)c(C(=O)N[C@@H](C)CCc2ccccc2)c2nc3ccccc3nc21 ZINC000002377861 569389631 /nfs/dbraw/zinc/38/96/31/569389631.db2.gz ZAUDYRFZQFMSRL-KRWDZBQOSA-N 0 0 415.541 4.574 50 0 HJAARN Cc1cc(C)cc(-n2c(N)c(C(=O)NCCC(C)C)c3nc4ccccc4nc32)c1 ZINC000002384318 569391808 /nfs/dbraw/zinc/39/18/08/569391808.db2.gz WBTACMQPOMMJFT-UHFFFAOYSA-N 0 0 401.514 4.549 50 0 HJAARN O=c1c2cc(Br)ccc2ncn1CCOc1ccc(Cl)cc1Cl ZINC000009683427 569393915 /nfs/dbraw/zinc/39/39/15/569393915.db2.gz CFQOPDUDVKAMDR-UHFFFAOYSA-N 0 0 414.086 4.545 50 0 HJAARN O=C(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)c1ccccc1Cl ZINC000055231320 569395323 /nfs/dbraw/zinc/39/53/23/569395323.db2.gz UXMMNSGFDMSMKQ-UHFFFAOYSA-N 0 0 416.912 4.958 50 0 HJAARN CSc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccco2)cc1 ZINC000002408257 569396380 /nfs/dbraw/zinc/39/63/80/569396380.db2.gz ZFXUSQPJCSLOCK-HXUWFJFHSA-N 0 0 403.459 4.853 50 0 HJAARN CCCCOc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OC ZINC000002411346 569396877 /nfs/dbraw/zinc/39/68/77/569396877.db2.gz YJUQPUHTFZALFR-AKNQKSQZSA-N 0 0 406.526 4.511 50 0 HJAARN CC(C)(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000002414550 569397118 /nfs/dbraw/zinc/39/71/18/569397118.db2.gz QZFHWIGNZAQFCY-AVRDEDQJSA-N 0 0 417.505 4.815 50 0 HJAARN Cn1c2cn(-c3ccc(Cl)cc3)c(-c3ccc(C(C)(C)C)cc3)c2c(=O)n(C)c1=O ZINC000002413642 569397125 /nfs/dbraw/zinc/39/71/25/569397125.db2.gz JRVQTVIVPMRAJH-UHFFFAOYSA-N 0 0 421.928 4.646 50 0 HJAARN Clc1cccc(-n2ncc3c4nc(Cc5cccc6ccccc65)nn4cnc32)c1 ZINC000002413787 569397157 /nfs/dbraw/zinc/39/71/57/569397157.db2.gz HTANKVAGNVFGTD-UHFFFAOYSA-N 0 0 410.868 4.861 50 0 HJAARN Clc1ccc(-n2ncc3c4nnc(Cc5cccc6ccccc65)n4cnc32)cc1 ZINC000002418026 569397458 /nfs/dbraw/zinc/39/74/58/569397458.db2.gz RWOGCRPTZDGOND-UHFFFAOYSA-N 0 0 410.868 4.861 50 0 HJAARN COc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2F)cc1 ZINC000002419345 569397764 /nfs/dbraw/zinc/39/77/64/569397764.db2.gz OTZALODYROGZHN-JOCHJYFZSA-N 0 0 415.420 4.686 50 0 HJAARN CC(C)c1ccc(/C=C2\N=C(c3cccc(I)c3)OC2=O)cc1 ZINC000002430699 569399194 /nfs/dbraw/zinc/39/91/94/569399194.db2.gz YRWQOIXYDPUTKW-YVLHZVERSA-N 0 0 417.246 4.759 50 0 HJAARN Cc1csc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(C)cc2)n1 ZINC000002439352 569400103 /nfs/dbraw/zinc/40/01/03/569400103.db2.gz HCDUEGNDMGVINM-IBGZPJMESA-N 0 0 402.475 4.925 50 0 HJAARN CN(C)c1ccc([C@@H](O)[P@@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1 ZINC000002439015 569400119 /nfs/dbraw/zinc/40/01/19/569400119.db2.gz SHTXJBNMQKJCIG-IADCTJSHSA-N 0 0 416.502 4.762 50 0 HJAARN O=S(=O)(Oc1cccc2cccnc21)c1ccc(Br)c2ccccc21 ZINC000012290991 569400306 /nfs/dbraw/zinc/40/03/06/569400306.db2.gz ZLUCEQPJXVWVRK-UHFFFAOYSA-N 0 0 414.280 4.918 50 0 HJAARN O=c1ncn(CCc2c[nH]c3ccccc23)cc1-c1ncc(C(F)(F)F)cc1Cl ZINC000012338535 569400455 /nfs/dbraw/zinc/40/04/55/569400455.db2.gz RLAFHWRSFJKUET-UHFFFAOYSA-N 0 0 418.806 4.702 50 0 HJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccc(F)c2)N1Cc1ccco1 ZINC000002449789 569402790 /nfs/dbraw/zinc/40/27/90/569402790.db2.gz WCQOYIFFQDHUQL-IBGZPJMESA-N 0 0 409.800 4.924 50 0 HJAARN CNC(=O)c1ccc(NC(=O)/C(=C/c2ccc(OC(F)F)cc2)c2ccccc2)cc1 ZINC000012730957 569402980 /nfs/dbraw/zinc/40/29/80/569402980.db2.gz WCAQUQDHMKBCCQ-RCCKNPSSSA-N 0 0 422.431 4.827 50 0 HJAARN NC(=O)c1ccc(NC(=O)/C(=C/c2ccc(OC(F)F)cc2)c2ccccc2)cc1 ZINC000012763670 569403181 /nfs/dbraw/zinc/40/31/81/569403181.db2.gz IPQUQTKMCKLKPH-XSFVSMFZSA-N 0 0 408.404 4.566 50 0 HJAARN COc1ccc(N2C(=O)[C@@H]3Cc4c5ccccc5[nH]c4[C@@H](c4ccccc4)N3C2=O)cc1 ZINC000012871875 569404271 /nfs/dbraw/zinc/40/42/71/569404271.db2.gz XHEGKZPYJYUHRI-LADGPHEKSA-N 0 0 423.472 4.659 50 0 biogenic HJAARN Cc1ccc(-c2csc3ncn(CCC(=O)Nc4ccc(F)cc4C)c(=O)c23)cc1 ZINC000012999962 569406389 /nfs/dbraw/zinc/40/63/89/569406389.db2.gz VRCUIFJHJUWELW-UHFFFAOYSA-N 0 0 421.497 4.910 50 0 HJAARN CC(C)C(=O)N1CCC(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000013014216 569407298 /nfs/dbraw/zinc/40/72/98/569407298.db2.gz PVCRMXKNFZUPHD-UHFFFAOYSA-N 0 0 408.586 4.988 50 0 HJAARN O=C(Cc1ccc2ccccc2c1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000013069038 569408469 /nfs/dbraw/zinc/40/84/69/569408469.db2.gz XNVAOSFKBHHJRM-UHFFFAOYSA-N 0 0 422.550 4.586 50 0 HJAARN CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC3CCCC3)c2)cc1 ZINC000013072760 569408685 /nfs/dbraw/zinc/40/86/85/569408685.db2.gz PIFQZCPZOOEJKJ-UHFFFAOYSA-N 0 0 414.571 4.811 50 0 HJAARN Cc1cccc(NS(=O)(=O)c2cc(N[C@H](C)C(=O)Nc3ccccc3)ccc2C)c1 ZINC000013096996 569408928 /nfs/dbraw/zinc/40/89/28/569408928.db2.gz VEKQTWQRKSMMSW-GOSISDBHSA-N 0 0 423.538 4.543 50 0 HJAARN CCOc1ccc(-c2nc(CC(=O)N3CCC[C@H]3[C@@H]3CCCCC3=O)cs2)cc1 ZINC000079056498 569425918 /nfs/dbraw/zinc/42/59/18/569425918.db2.gz VGDSXDPEBJTCEJ-PMACEKPBSA-N 0 0 412.555 4.502 50 0 HJAARN COc1ccc(CN(C)C(=O)c2cc3ccccc3cc2NC(=O)C(C)C)c(OC)c1 ZINC000079095451 569427259 /nfs/dbraw/zinc/42/72/59/569427259.db2.gz UXYBCOPHNGPIGN-UHFFFAOYSA-N 0 0 420.509 4.724 50 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/nfs/dbraw/zinc/05/96/20/571059620.db2.gz KXWHHUGJHOOXDF-UHFFFAOYSA-N 0 0 420.519 4.902 50 0 HJAARN O=C(NCc1ccccc1Cl)c1nnn(-c2ccccc2Cl)c1-c1cccnc1 ZINC000067261284 571060322 /nfs/dbraw/zinc/06/03/22/571060322.db2.gz NMHCWFIXLBEWSJ-UHFFFAOYSA-N 0 0 424.291 4.566 50 0 HJAARN C[C@H](CCc1ccccc1)Nc1c(C(=O)N2CCOCC2)cnc2ccc(Cl)cc21 ZINC000067288430 571066124 /nfs/dbraw/zinc/06/61/24/571066124.db2.gz SIXWIZLASXFHQI-QGZVFWFLSA-N 0 0 423.944 4.794 50 0 HJAARN O=C(CSc1nccn2nc(-c3cccs3)cc12)Nc1ccccc1Cl ZINC000067290063 571066910 /nfs/dbraw/zinc/06/69/10/571066910.db2.gz QJXKJPHNFFABFF-UHFFFAOYSA-N 0 0 400.916 4.842 50 0 HJAARN Cc1coc2c1cc1c(C)c(CCC(=O)Nc3ccc(CCO)cc3)c(=O)oc1c2C ZINC000008511439 571067203 /nfs/dbraw/zinc/06/72/03/571067203.db2.gz ICJRPWGPBSFQEE-UHFFFAOYSA-N 0 0 419.477 4.571 50 0 biogenic HJAARN CCOc1ccc(-c2cc3c(SCC(=O)N(C)C4CCCCC4)nccn3n2)cc1 ZINC000067290399 571067309 /nfs/dbraw/zinc/06/73/09/571067309.db2.gz DUFIKIGFZOHFBY-UHFFFAOYSA-N 0 0 424.570 4.678 50 0 HJAARN 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/nfs/dbraw/zinc/07/20/62/571072062.db2.gz HOCOUABXRZJGEJ-RWEWTDSWSA-N 0 0 403.413 4.774 50 0 HJAARN Cc1c(Cl)cccc1/N=c1\oc2cc(O)ccc2cc1C(=O)NCc1ccco1 ZINC000067299313 571073259 /nfs/dbraw/zinc/07/32/59/571073259.db2.gz NZARGMHAQASXAX-LVWGJNHUSA-N 0 0 408.841 4.856 50 0 HJAARN O=C(CSc1n[nH]c(-c2cccs2)n1)N[C@H](c1cccs1)c1ccccc1 ZINC000008528212 571074303 /nfs/dbraw/zinc/07/43/03/571074303.db2.gz ZWWSZEALHWMWAN-KRWDZBQOSA-N 0 0 412.565 4.593 50 0 HJAARN COc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)NCc2ccc(F)cc2)cc1 ZINC000008583671 571082716 /nfs/dbraw/zinc/08/27/16/571082716.db2.gz MANBFRKFSSLXEZ-UHFFFAOYSA-N 0 0 408.473 4.520 50 0 HJAARN O=C(Nc1ccc(SC(F)F)cc1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000008586506 571083159 /nfs/dbraw/zinc/08/31/59/571083159.db2.gz GWBIKMHGVBCDPJ-UHFFFAOYSA-N 0 0 404.394 4.680 50 0 HJAARN Cc1ccc(-n2cc(C(=O)OCc3ccc(F)c(F)c3)c3ccccc3c2=O)cc1 ZINC000008600265 571089928 /nfs/dbraw/zinc/08/99/28/571089928.db2.gz LHBQFTGOSQNVSR-UHFFFAOYSA-N 0 0 405.400 4.934 50 0 HJAARN O=C(CSc1nc2ccccc2n1Cc1cccc(F)c1)NCc1ccccc1 ZINC000008609147 571093714 /nfs/dbraw/zinc/09/37/14/571093714.db2.gz VSJSPOUGPIVDJE-UHFFFAOYSA-N 0 0 405.498 4.632 50 0 HJAARN COc1ccc(CNc2nc(-c3ccco3)nn2C(=O)c2ccccc2Cl)cc1 ZINC000008612626 571095060 /nfs/dbraw/zinc/09/50/60/571095060.db2.gz KUECPWNWZRYTTF-UHFFFAOYSA-N 0 0 408.845 4.501 50 0 HJAARN Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(Cc1ccco1)[C@H]3c1ccccc1F ZINC000008612873 571095104 /nfs/dbraw/zinc/09/51/04/571095104.db2.gz ZDHFQQCKOYDVTK-NRFANRHFSA-N 0 0 403.409 4.887 50 0 HJAARN COc1ccc(CNC(=O)c2nc(SCc3ccccc3F)ncc2Cl)cc1 ZINC000008613864 571095399 /nfs/dbraw/zinc/09/53/99/571095399.db2.gz JADAEYAQPRSFRN-UHFFFAOYSA-N 0 0 417.893 4.500 50 0 HJAARN Cc1ccc(C)c(-c2ccc(=O)n([C@H](C)C(=O)Nc3ccccc3C(F)(F)F)n2)c1 ZINC000008613897 571095400 /nfs/dbraw/zinc/09/54/00/571095400.db2.gz NZLBDRDQOJNJAO-OAHLLOKOSA-N 0 0 415.415 4.746 50 0 HJAARN O=S(=O)(c1ccccc1Cl)N1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000008649038 571098092 /nfs/dbraw/zinc/09/80/92/571098092.db2.gz YVMZCXZPBPJQET-HNNXBMFYSA-N 0 0 424.309 4.569 50 0 HJAARN Cc1cc(C)cc(OCC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCCCC2)c1 ZINC000008654867 571098876 /nfs/dbraw/zinc/09/88/76/571098876.db2.gz BZUXJRXUYFAGHO-QFIPXVFZSA-N 0 0 400.950 4.679 50 0 HJAARN COc1ccc(-c2csc(N3N=C(c4ccccc4)C[C@]3(O)C(F)(F)F)n2)cc1 ZINC000008711505 571105418 /nfs/dbraw/zinc/10/54/18/571105418.db2.gz JJBIDKQMUQQHFY-IBGZPJMESA-N 0 0 419.428 4.684 50 0 HJAARN CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NC(=O)c2ccccc2)c1 ZINC000008718493 571105779 /nfs/dbraw/zinc/10/57/79/571105779.db2.gz VMPOJKXXFCFBBB-UHFFFAOYSA-N 0 0 424.522 4.762 50 0 HJAARN COc1cc(C(=O)Nc2cccnc2)cc(Br)c1OCc1ccccc1 ZINC000008721344 571106941 /nfs/dbraw/zinc/10/69/41/571106941.db2.gz REKMCNMCTYIUKU-UHFFFAOYSA-N 0 0 413.271 4.684 50 0 HJAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1cccc(Oc2ccccc2)c1 ZINC000008748500 571111647 /nfs/dbraw/zinc/11/16/47/571111647.db2.gz DOBXJSPQSUHLKU-KRWDZBQOSA-N 0 0 402.450 4.622 50 0 HJAARN O=C(NCCCc1nc2ccccc2n1CCOc1ccccc1Cl)c1ccco1 ZINC000008752639 571112419 /nfs/dbraw/zinc/11/24/19/571112419.db2.gz JNFNFIGWNFSBOL-UHFFFAOYSA-N 0 0 423.900 4.724 50 0 HJAARN Cc1nc(NC(=O)Nc2cccc(Cl)c2)sc1C(=O)NCCc1ccccc1 ZINC000008771835 571117240 /nfs/dbraw/zinc/11/72/40/571117240.db2.gz BCMWDXMORHEIIP-UHFFFAOYSA-N 0 0 414.918 4.721 50 0 HJAARN Cc1cc(-c2csc(Nc3ccc(C)cc3)n2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000008780143 571118889 /nfs/dbraw/zinc/11/88/89/571118889.db2.gz LAIVWTUACUWQGQ-KRWDZBQOSA-N 0 0 401.557 4.640 50 0 HJAARN CC(C)CN1c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2CCC1=O ZINC000008840813 571124116 /nfs/dbraw/zinc/12/41/16/571124116.db2.gz NMIRSNUEUDHHQY-UHFFFAOYSA-N 0 0 414.571 4.720 50 0 HJAARN CC(C)CCN1c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2CCC1=O ZINC000008840959 571124275 /nfs/dbraw/zinc/12/42/75/571124275.db2.gz PMVDEYKSGFBQRT-UHFFFAOYSA-N 0 0 414.571 4.936 50 0 HJAARN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 ZINC000008844284 571124934 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419.268 4.908 50 0 HJAARN CCOc1ccccc1NCC(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 ZINC000022728207 557806676 /nfs/dbraw/zinc/80/66/76/557806676.db2.gz KWJOFVMULAXNST-UHFFFAOYSA-N 0 0 403.482 4.697 50 0 HJAARN CCOc1ccc2[nH]c(S[C@@H](C(=O)Nc3nccs3)c3ccccc3)nc2c1 ZINC000008813109 557809532 /nfs/dbraw/zinc/80/95/32/557809532.db2.gz AJQKQZYFHOYWRZ-QGZVFWFLSA-N 0 0 410.524 4.890 50 0 HJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cc(-c2cc(C)cc(C)c2O)[nH]n1 ZINC000008845579 557811938 /nfs/dbraw/zinc/81/19/38/557811938.db2.gz KUTLTXJXFIMBGM-UHFFFAOYSA-N 0 0 413.499 4.506 50 0 HJAARN CC1=Nc2ccccc2N=C(NC(=O)CSc2ccccn2)[C@@H]1c1ccccc1 ZINC000009306834 557835955 /nfs/dbraw/zinc/83/59/55/557835955.db2.gz KTJPUYLSFVQVKU-QFIPXVFZSA-N 0 0 400.507 4.910 50 0 HJAARN CCc1ccccc1NC(=O)Cc1nnc(SCc2c(F)cccc2Cl)n1C ZINC000009582383 557846132 /nfs/dbraw/zinc/84/61/32/557846132.db2.gz RVFVHFHOEKVMFT-UHFFFAOYSA-N 0 0 418.925 4.644 50 0 HJAARN COc1ccc(-c2cc(C(=O)Nc3cc(C)n(Cc4ccc(Cl)cc4)n3)no2)cc1 ZINC000009597831 557846591 /nfs/dbraw/zinc/84/65/91/557846591.db2.gz UDILRQRQNBDSER-UHFFFAOYSA-N 0 0 422.872 4.809 50 0 HJAARN Cc1ccnc(SCC(=O)NC2=Nc3ccccc3N=C(C)[C@H]2c2ccccc2)n1 ZINC000009698444 557848744 /nfs/dbraw/zinc/84/87/44/557848744.db2.gz KXERPSCPIODEJS-NRFANRHFSA-N 0 0 415.522 4.613 50 0 HJAARN Cc1oc(-c2cccc3ccccc32)nc1CN(C)Cc1nc(-c2cccnc2)no1 ZINC000019743509 558263998 /nfs/dbraw/zinc/26/39/98/558263998.db2.gz UDUPXZFRHFVBNU-UHFFFAOYSA-N 0 0 411.465 4.880 50 0 HJAARN C[C@H](CNC(=O)c1ccc2oc(CCCc3ccccc3)nc2c1)Oc1cccnc1 ZINC000011661127 558265029 /nfs/dbraw/zinc/26/50/29/558265029.db2.gz KRXPIXZTWHXRLL-GOSISDBHSA-N 0 0 415.493 4.595 50 0 HJAARN O=C(CCc1ccncc1)N1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000011661133 558265051 /nfs/dbraw/zinc/26/50/51/558265051.db2.gz IBEZGNSVEUPEIS-JOCHJYFZSA-N 0 0 414.505 4.928 50 0 HJAARN Cc1cccc(C)c1OCCCn1c(CNC(=O)c2ccco2)nc2ccccc21 ZINC000011667213 558269151 /nfs/dbraw/zinc/26/91/51/558269151.db2.gz CUZJPTFNIQNQCQ-UHFFFAOYSA-N 0 0 403.482 4.645 50 0 HJAARN COc1cccc(OCCCn2c3ccccc3nc2[C@H](C)NC(=O)c2ccco2)c1 ZINC000011667415 558269514 /nfs/dbraw/zinc/26/95/14/558269514.db2.gz ODTOJYNQUAFEDW-KRWDZBQOSA-N 0 0 419.481 4.598 50 0 HJAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2CCCn2cccn2)cc1C ZINC000011763957 558273639 /nfs/dbraw/zinc/27/36/39/558273639.db2.gz YBWBHMHFULEDON-RUZDIDTESA-N 0 0 400.526 4.719 50 0 HJAARN Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)CC(F)(F)F)C3)c2)c1 ZINC000011816444 558279860 /nfs/dbraw/zinc/27/98/60/558279860.db2.gz FPILSAWAMGIJFP-GOSISDBHSA-N 0 0 404.432 4.792 50 0 HJAARN COc1cc(Cl)cc(CN[C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)c1OC ZINC000011817090 558280394 /nfs/dbraw/zinc/28/03/94/558280394.db2.gz BTYKGJQAOOJFFJ-GFCCVEGCSA-N 0 0 421.875 4.980 50 0 HJAARN O=C(CSc1ccccn1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1F ZINC000011820883 558284320 /nfs/dbraw/zinc/28/43/20/558284320.db2.gz PVTHGVKIOUEMHD-DEOSSOPVSA-N 0 0 417.509 4.968 50 0 HJAARN CC(C)(C)c1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)CCc2ccccn2)cc1 ZINC000011821053 558284340 /nfs/dbraw/zinc/28/43/40/558284340.db2.gz HUFOAORVFZTIBH-QFIPXVFZSA-N 0 0 402.542 4.691 50 0 HJAARN O=C(CCc1ccccn1)N1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000011821644 558284754 /nfs/dbraw/zinc/28/47/54/558284754.db2.gz LKFOHWBBLWGRCF-NRFANRHFSA-N 0 0 414.505 4.928 50 0 HJAARN CN1CCc2nc3sc(C(=O)Nc4ccccc4)c(N)c3c(-c3cccs3)c2C1 ZINC000019816085 558287103 /nfs/dbraw/zinc/28/71/03/558287103.db2.gz QNCQRGGPCLUDNY-UHFFFAOYSA-N 0 0 420.563 4.847 50 0 HJAARN Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3Br)o2)cc1 ZINC000019814801 558287109 /nfs/dbraw/zinc/28/71/09/558287109.db2.gz FGBXTYHMJYEEEQ-UHFFFAOYSA-N 0 0 418.316 4.847 50 0 HJAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)C3(c4ccccc4)CC3)C2)c(C)c1 ZINC000011874579 558292196 /nfs/dbraw/zinc/29/21/96/558292196.db2.gz JKVQGKQHVKQIJF-HXUWFJFHSA-N 0 0 420.553 4.693 50 0 HJAARN COC(=O)c1ccc(-c2nc(CN3CCC[C@H]3c3ccccc3OC)c(C)o2)cc1 ZINC000011879349 558293931 /nfs/dbraw/zinc/29/39/31/558293931.db2.gz TZWADMVUCHNZIY-NRFANRHFSA-N 0 0 406.482 4.782 50 0 HJAARN Cc1cccc(-c2cccc(C(=O)NC[C@@H]3Cc4cccc(-c5cncnc5)c4O3)c2)c1 ZINC000011880534 558295072 /nfs/dbraw/zinc/29/50/72/558295072.db2.gz RZLIDOPBOMCANS-DEOSSOPVSA-N 0 0 421.500 4.853 50 0 HJAARN COc1ccccc1-c1cn2c(C(=O)N(C)CCOc3ccc(C)cc3)csc2n1 ZINC000011936255 558300182 /nfs/dbraw/zinc/30/01/82/558300182.db2.gz CKDVEQJLRJMNEV-UHFFFAOYSA-N 0 0 421.522 4.531 50 0 HJAARN CC(=O)Nc1ccc([C@H]2Nc3nc4ccccc4cc3C(=O)N2c2ccccc2)cc1 ZINC000019890824 558302985 /nfs/dbraw/zinc/30/29/85/558302985.db2.gz UDVLTCFAIXOIAM-DEOSSOPVSA-N 0 0 408.461 4.964 50 0 HJAARN Cc1ccc(OCc2cc(C(=O)N3CCC(C(=O)c4ccccc4)CC3)no2)cc1C ZINC000012051753 558314417 /nfs/dbraw/zinc/31/44/17/558314417.db2.gz YWVZPZLBACBYPO-UHFFFAOYSA-N 0 0 418.493 4.606 50 0 HJAARN O=C(c1scc2c1CCCC2)N1CCC[C@](CO)(Cc2cccc(Cl)c2)C1 ZINC000012090138 558323964 /nfs/dbraw/zinc/32/39/64/558323964.db2.gz SMNILZYEFVRQSQ-QFIPXVFZSA-N 0 0 403.975 4.738 50 0 HJAARN COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 ZINC000012193192 558348425 /nfs/dbraw/zinc/34/84/25/558348425.db2.gz GREUMNGTKWBCJQ-PXDATVDWSA-N 0 0 416.477 4.955 50 0 HJAARN CN1CCN(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)CC1 ZINC000020220114 558348917 /nfs/dbraw/zinc/34/89/17/558348917.db2.gz SIMGRBOXXWEWBO-UHFFFAOYSA-N 0 0 400.309 4.596 50 0 HJAARN COC(=O)c1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cccs4)=NN32)cc1 ZINC000012194402 558348933 /nfs/dbraw/zinc/34/89/33/558348933.db2.gz ZTZWOMJFTTYCFR-AVRDEDQJSA-N 0 0 420.490 4.786 50 0 HJAARN CCOc1cccc2c1O[C@H](c1ccc(OC)c(OC)c1)N1N=C(c3ccco3)C[C@@H]21 ZINC000012196499 558349809 /nfs/dbraw/zinc/34/98/09/558349809.db2.gz ZELCQWUTVKXZPG-MHECFPHRSA-N 0 0 420.465 4.938 50 0 HJAARN Cc1cnccc1Cn1ccc(-c2cccc(-c3ccc(C(=O)N(C)C)s3)c2)n1 ZINC000020255627 558352215 /nfs/dbraw/zinc/35/22/15/558352215.db2.gz JQEJNFOVKDBIBI-UHFFFAOYSA-N 0 0 402.523 4.732 50 0 HJAARN Cc1cccnc1C[C@@H](C)NC(=O)c1csc2nc(-c3ccccc3Cl)cn12 ZINC000012302408 558372019 /nfs/dbraw/zinc/37/20/19/558372019.db2.gz OTRICZMCVCROMV-CQSZACIVSA-N 0 0 410.930 4.781 50 0 HJAARN COc1cc(-c2nc(CN3CCCC[C@@H]3c3cccnc3)c(C)o2)cc2c1OCO2 ZINC000012304401 558373617 /nfs/dbraw/zinc/37/36/17/558373617.db2.gz VKACBXYGVDOHSH-LJQANCHMSA-N 0 0 407.470 4.510 50 0 HJAARN O=C(NCCc1cscn1)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12 ZINC000012305229 558374455 /nfs/dbraw/zinc/37/44/55/558374455.db2.gz XHCHYDNAUUPFCD-UHFFFAOYSA-N 0 0 422.457 4.511 50 0 HJAARN CCCC(=O)N1CCN(c2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)CC1 ZINC000020497442 558380345 /nfs/dbraw/zinc/38/03/45/558380345.db2.gz BDTMHRSBAZVZIN-UHFFFAOYSA-N 0 0 419.569 4.586 50 0 HJAARN O=c1oc2ccccc2c(NC2CCCC2)c1NS(=O)(=O)c1ccc(Cl)s1 ZINC000020533785 558385190 /nfs/dbraw/zinc/38/51/90/558385190.db2.gz HWDJDTYGSLJVFX-UHFFFAOYSA-N 0 0 424.931 4.663 50 0 HJAARN CCn1cc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(-c4cccc(C)c4)c3n2)cn1 ZINC000020604492 558386846 /nfs/dbraw/zinc/38/68/46/558386846.db2.gz JECYRYMNEWHKQG-UHFFFAOYSA-N 0 0 413.453 4.573 50 0 HJAARN O=C(c1cc2c(s1)CCCC2)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000020606739 558388320 /nfs/dbraw/zinc/38/83/20/558388320.db2.gz UPCADWRIZVYLTB-UHFFFAOYSA-N 0 0 409.382 4.892 50 0 HJAARN Ic1ccc2oc3ccc(I)cc3c2c1 ZINC000012369166 558389073 /nfs/dbraw/zinc/38/90/73/558389073.db2.gz VKTLGHDNPWVFSY-UHFFFAOYSA-N 0 0 419.987 4.795 50 0 HJAARN O=C1Nc2ccc(F)cc2[C@@]12Oc1ccccc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000012377356 558392292 /nfs/dbraw/zinc/39/22/92/558392292.db2.gz ZDKMMHCNQMTIRP-NZQKXSOJSA-N 0 0 419.843 4.828 50 0 HJAARN COc1cc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)ccc1OC(C)=O ZINC000012380028 558392756 /nfs/dbraw/zinc/39/27/56/558392756.db2.gz NNUQPAZCUWYCPT-PXDATVDWSA-N 0 0 414.461 4.863 50 0 HJAARN COc1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)ccc1OC(C)=O ZINC000012380029 558392811 /nfs/dbraw/zinc/39/28/11/558392811.db2.gz NNUQPAZCUWYCPT-BWKNWUBXSA-N 0 0 414.461 4.863 50 0 HJAARN Cc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(C)c(Cl)c3)n(C)n2)cc1Cl ZINC000020616792 558393290 /nfs/dbraw/zinc/39/32/90/558393290.db2.gz PSAYAELKOBLELM-UHFFFAOYSA-N 0 0 417.296 4.848 50 0 HJAARN COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc4ccccc4n32)cc1 ZINC000012384697 558393912 /nfs/dbraw/zinc/39/39/12/558393912.db2.gz FBRMXFHOHRHBGY-HSZRJFAPSA-N 0 0 410.477 4.973 50 0 HJAARN COc1ccc(CCC(=O)N[C@@H]2CCCc3c2cnn3-c2cccc(C)c2C)cc1 ZINC000012386279 558395015 /nfs/dbraw/zinc/39/50/15/558395015.db2.gz QFRNZWXKVKRYJA-JOCHJYFZSA-N 0 0 403.526 4.624 50 0 HJAARN CCCC(=O)Nc1c(S(=O)(=O)c2ccc(OC)cc2)c(C)c(C)n1C1CCCC1 ZINC000012409783 558400281 /nfs/dbraw/zinc/40/02/81/558400281.db2.gz OMQLEJCQFXSDKE-UHFFFAOYSA-N 0 0 418.559 4.800 50 0 HJAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000012419430 558403059 /nfs/dbraw/zinc/40/30/59/558403059.db2.gz MJVGAHJLDCFNMM-IYBDPMFKSA-N 0 0 400.500 4.558 50 0 HJAARN CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)cnn32)cc1 ZINC000020735442 558407714 /nfs/dbraw/zinc/40/77/14/558407714.db2.gz UZMYRQLBUNKLAO-SFHVURJKSA-N 0 0 408.845 4.578 50 0 HJAARN C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1ccc2cc(Br)ccc21 ZINC000020762972 558411428 /nfs/dbraw/zinc/41/14/28/558411428.db2.gz IWTRWWOCJKFKAC-AWEZNQCLSA-N 0 0 410.315 4.633 50 0 biogenic HJAARN Cc1noc(C)c1CCC(=O)N[C@@H](C)c1cnn(-c2cccc3ccccc32)c1C ZINC000012441136 558411992 /nfs/dbraw/zinc/41/19/92/558411992.db2.gz DGCUFJLGADDIBV-HNNXBMFYSA-N 0 0 402.498 4.749 50 0 HJAARN Cc1ccc2oc(C(=O)Nc3nc4c(s3)CN(C(=O)OC(C)(C)C)CC4)cc2c1 ZINC000072004429 558417644 /nfs/dbraw/zinc/41/76/44/558417644.db2.gz VCFHQEKEBGDXBT-UHFFFAOYSA-N 0 0 413.499 4.743 50 0 HJAARN Cc1ccc(S(=O)(=O)Oc2ccc3oc(=O)c(-c4ccccc4)c(C)c3c2)cc1 ZINC000004340678 558424522 /nfs/dbraw/zinc/42/45/22/558424522.db2.gz WIJAPPUMJUDTLS-UHFFFAOYSA-N 0 0 406.459 4.845 50 0 HJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccncc2)N1Cc1ccccc1 ZINC000012528163 558425598 /nfs/dbraw/zinc/42/55/98/558425598.db2.gz UPOXIPRMEBYGQD-HXUWFJFHSA-N 0 0 402.837 4.587 50 0 HJAARN Cc1ccoc1C(=O)N1CCC[C@H](CCC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000012582359 558432785 /nfs/dbraw/zinc/43/27/85/558432785.db2.gz VGJHIKZTRHKDLJ-OAHLLOKOSA-N 0 0 408.420 4.878 50 0 HJAARN Cc1cc(C)cc(CCC(=O)N2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)c1 ZINC000012582711 558433132 /nfs/dbraw/zinc/43/31/32/558433132.db2.gz IQFHCRLGSQSQLP-OAQYLSRUSA-N 0 0 424.560 4.710 50 0 HJAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(-c4cccc(F)c4)cc3)C2)o1 ZINC000012584410 558433644 /nfs/dbraw/zinc/43/36/44/558433644.db2.gz WLACDAIEZKLRNM-GOSISDBHSA-N 0 0 422.456 4.585 50 0 HJAARN Fc1ccc(-n2c(CN3CCCCC3)nnc2SCc2nc3ccccc3o2)cc1 ZINC000021342248 558436475 /nfs/dbraw/zinc/43/64/75/558436475.db2.gz RDXAVEUNORHXJD-UHFFFAOYSA-N 0 0 423.517 4.826 50 0 HJAARN O=C1c2ccccc2N[C@H](c2cc(Br)ccc2OC(F)F)N1C1CC1 ZINC000021360820 558437520 /nfs/dbraw/zinc/43/75/20/558437520.db2.gz AJSKVSDLSRGRIV-INIZCTEOSA-N 0 0 409.230 4.779 50 0 HJAARN O=C([C@H]1Cc2ccccc2S1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000021439813 558438389 /nfs/dbraw/zinc/43/83/89/558438389.db2.gz BHLIRMSWPNJVJD-OAQYLSRUSA-N 0 0 409.532 4.770 50 0 HJAARN COc1ccc2c(C)c(CCC(=O)Nc3ccc(OC(F)(F)F)cc3)c(=O)oc2c1 ZINC000012606184 558438691 /nfs/dbraw/zinc/43/86/91/558438691.db2.gz ZWJMKVQHMXCYID-UHFFFAOYSA-N 0 0 421.371 4.580 50 0 HJAARN CC1(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)CC1 ZINC000012612039 558438750 /nfs/dbraw/zinc/43/87/50/558438750.db2.gz PTLHYSYAIXQJPF-LJQANCHMSA-N 0 0 401.510 4.812 50 0 HJAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CCCC2)cc1OC ZINC000004353960 558439883 /nfs/dbraw/zinc/43/98/83/558439883.db2.gz FDXQXSHIXYARPM-UHFFFAOYSA-N 0 0 408.454 4.831 50 0 HJAARN CCCN(CC(=O)N[C@H](C)c1cc2ccccc2o1)Cc1nnc(-c2cccs2)o1 ZINC000021582634 558442007 /nfs/dbraw/zinc/44/20/07/558442007.db2.gz VHHPAMAYJRZALY-OAHLLOKOSA-N 0 0 424.526 4.634 50 0 HJAARN COc1cc(OC)cc(-c2nnc(SCc3ccccn3)n2-c2ccccc2)c1 ZINC000004354986 558442357 /nfs/dbraw/zinc/44/23/57/558442357.db2.gz IDYXWVUVONCZHP-UHFFFAOYSA-N 0 0 404.495 4.639 50 0 HJAARN COC(=O)c1ccc(CSc2nnc(-c3cccc(C)c3)n2-c2ccccc2)o1 ZINC000004355033 558442787 /nfs/dbraw/zinc/44/27/87/558442787.db2.gz MGTPFMMHVFTACO-UHFFFAOYSA-N 0 0 405.479 4.915 50 0 HJAARN 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Cc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)c1 ZINC000013228260 558527510 /nfs/dbraw/zinc/52/75/10/558527510.db2.gz NRYPNISNRLNQJJ-FQEVSTJZSA-N 0 0 402.837 4.900 50 0 HJAARN C/C(C(=O)Nc1ccc(C(=O)c2ccccc2)cc1N)=C(\C)c1nc2ccccc2[nH]1 ZINC000164823675 558527513 /nfs/dbraw/zinc/52/75/13/558527513.db2.gz ONZBPULFMSJUPL-NXVVXOECSA-N 0 0 410.477 4.808 50 0 HJAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2nc3ccccc3[nH]2)cc1 ZINC000013281894 558528863 /nfs/dbraw/zinc/52/88/63/558528863.db2.gz KOCHLTIOWYBNSK-UHFFFAOYSA-N 0 0 414.490 4.563 50 0 HJAARN Cc1cc(C)c(NC(=O)CNC(=O)c2cc3c(s2)-c2ccccc2CC3)c(C)c1 ZINC000023039828 558531228 /nfs/dbraw/zinc/53/12/28/558531228.db2.gz MXZXPCNRGRWUIZ-UHFFFAOYSA-N 0 0 404.535 4.807 50 0 HJAARN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCCn1cnc2ccccc2c1=O ZINC000023113946 558534756 /nfs/dbraw/zinc/53/47/56/558534756.db2.gz UIMWDXBYECTSNH-AWEZNQCLSA-N 0 0 418.324 4.703 50 0 HJAARN COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)ccc1OCc1cccc(Cl)c1 ZINC000013532850 558537028 /nfs/dbraw/zinc/53/70/28/558537028.db2.gz UJNOYMYCOMYIJC-UHFFFAOYSA-N 0 0 409.873 4.709 50 0 HJAARN COc1ccc2oc(-c3csc(NC(=O)c4ccc5c(c4)OCCO5)n3)cc2c1 ZINC000010882956 558537939 /nfs/dbraw/zinc/53/79/39/558537939.db2.gz MESGDMWKLCPSRN-UHFFFAOYSA-N 0 0 408.435 4.588 50 0 HJAARN CC1(C)C[C@@]2(CCO1)Oc1ccc(Br)cc1[C@H]1CC(c3ccco3)=NN12 ZINC000013584680 558545685 /nfs/dbraw/zinc/54/56/85/558545685.db2.gz PRQJSYYZSIZUMQ-OXQOHEQNSA-N 0 0 417.303 4.871 50 0 HJAARN CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2cc3ccccc3nc2Cl)C1=O ZINC000023261904 558546951 /nfs/dbraw/zinc/54/69/51/558546951.db2.gz UMWFONUWHOQLTC-OAQYLSRUSA-N 0 0 414.292 4.899 50 0 HJAARN O=C(Nc1nc(NCc2ccccc2Cl)n(-c2ccccc2)n1)c1ccccc1F ZINC000013608219 558548006 /nfs/dbraw/zinc/54/80/06/558548006.db2.gz YWVFEBZGGWPJLH-UHFFFAOYSA-N 0 0 421.863 4.924 50 0 HJAARN CCCCC(=O)Nc1cccc(-c2cc(C(=O)OCC)nn2-c2cccc(F)c2)c1 ZINC000023333413 558549572 /nfs/dbraw/zinc/54/95/72/558549572.db2.gz ADIBKDXMEOHCQU-UHFFFAOYSA-N 0 0 409.461 4.984 50 0 HJAARN Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000013631114 558552244 /nfs/dbraw/zinc/55/22/44/558552244.db2.gz DGYOHOMRWDPLKN-LJQANCHMSA-N 0 0 402.494 4.972 50 0 HJAARN Oc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc3c(c2)OCCO3)c1 ZINC000023366637 558552653 /nfs/dbraw/zinc/55/26/53/558552653.db2.gz NIPABUUKGUSDRZ-SANMLTNESA-N 0 0 412.489 4.792 50 0 HJAARN COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OCc1nc(C)no1 ZINC000023373588 558553636 /nfs/dbraw/zinc/55/36/36/558553636.db2.gz VVORLNWVKWRFFF-UHFFFAOYSA-N 0 0 403.438 4.680 50 0 HJAARN Cc1ccccc1C(=O)N1CCC(C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000023433645 558558293 /nfs/dbraw/zinc/55/82/93/558558293.db2.gz FUVWYJYWIRXBQV-IBGZPJMESA-N 0 0 400.522 4.878 50 0 HJAARN O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)Nc1nccs1 ZINC000013654485 558558654 /nfs/dbraw/zinc/55/86/54/558558654.db2.gz PFZPALSTXFYJPE-UHFFFAOYSA-N 0 0 412.854 4.587 50 0 HJAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1nnc(COc2ccc(F)cc2)o1 ZINC000023553122 558561948 /nfs/dbraw/zinc/56/19/48/558561948.db2.gz QEKXDJQPNFZQFT-OLMNPRSZSA-N 0 0 422.522 4.884 50 0 HJAARN COc1ccc(-c2nc(CSc3ccc4c(c3)OCCO4)cs2)cc1OC ZINC000023639085 558564021 /nfs/dbraw/zinc/56/40/21/558564021.db2.gz DEENCKREVXPQAP-UHFFFAOYSA-N 0 0 401.509 4.891 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1CCc1nnc2sc(-c3ccc(F)cc3)nn12 ZINC000013691075 558572944 /nfs/dbraw/zinc/57/29/44/558572944.db2.gz HHALCPKYSQBTGD-UHFFFAOYSA-N 0 0 418.501 4.580 50 0 HJAARN Cc1c(C)n(CC(C)C)c(NC(=O)c2ccco2)c1S(=O)(=O)c1ccc(C)cc1 ZINC000013692260 558573812 /nfs/dbraw/zinc/57/38/12/558573812.db2.gz ZHZJWYLEKIHWNX-UHFFFAOYSA-N 0 0 414.527 4.747 50 0 HJAARN C[C@@H](N[C@H](c1ccccc1)c1ccc(OC(F)F)cc1)c1nc2ccccc2c(=O)[nH]1 ZINC000023908320 558581112 /nfs/dbraw/zinc/58/11/12/558581112.db2.gz BKTBVAMVIJFEDD-QVKFZJNVSA-N 0 0 421.447 4.965 50 0 HJAARN Cc1cnc(NC(=O)COc2ccc3c(c2)oc(C)c(-c2ccccc2)c3=O)s1 ZINC000013719936 558581235 /nfs/dbraw/zinc/58/12/35/558581235.db2.gz XWKRYUVKQAGBDO-UHFFFAOYSA-N 0 0 406.463 4.551 50 0 biogenic HJAARN Brc1cccc(-c2nnc3sc(-c4ccc5ccccc5n4)nn32)c1 ZINC000013728945 558585650 /nfs/dbraw/zinc/58/56/50/558585650.db2.gz KHNOWRDEMPDJGK-UHFFFAOYSA-N 0 0 408.284 4.831 50 0 HJAARN O=C(Nc1nc([C@H]2COc3ccccc3O2)cs1)c1cccc(Br)c1 ZINC000013732469 558587115 /nfs/dbraw/zinc/58/71/15/558587115.db2.gz YXANNZVGRSUXCA-MRXNPFEDSA-N 0 0 417.284 4.670 50 0 HJAARN COc1ccc2[nH]cc(CCNC(=O)c3sc(-c4ccc(C)cc4)nc3C)c2c1 ZINC000013736655 558588734 /nfs/dbraw/zinc/58/87/34/558588734.db2.gz VWGOZNSCHCEFOW-UHFFFAOYSA-N 0 0 405.523 4.889 50 0 HJAARN COc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccs2)c1 ZINC000013750190 558589400 /nfs/dbraw/zinc/58/94/00/558589400.db2.gz AWHSAGVVJKOHMX-UHFFFAOYSA-N 0 0 404.491 4.754 50 0 HJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000013757831 558590561 /nfs/dbraw/zinc/59/05/61/558590561.db2.gz NZKIFBJQPKELTR-QHAWAJNXSA-N 0 0 422.843 4.530 50 0 HJAARN COc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 ZINC000013776446 558592567 /nfs/dbraw/zinc/59/25/67/558592567.db2.gz IFYAVGLOSMGHLU-HYBUGGRVSA-N 0 0 400.434 4.666 50 0 HJAARN COc1ccc2[nH]c(=O)c(CN(C(=O)c3ccco3)c3cc(C)ccc3C)cc2c1 ZINC000013786342 558593262 /nfs/dbraw/zinc/59/32/62/558593262.db2.gz QKIXBHDWPDIUSE-UHFFFAOYSA-N 0 0 402.450 4.594 50 0 HJAARN CSc1nc2c3c(nc(-c4ccccc4)c4c3CCC4)sc2c(N(C)CCO)n1 ZINC000013786947 558593517 /nfs/dbraw/zinc/59/35/17/558593517.db2.gz RMTVBINKWQBBBO-UHFFFAOYSA-N 0 0 422.579 4.546 50 0 HJAARN O=C(Nc1ccc(F)c(Cl)c1)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000004461358 558596382 /nfs/dbraw/zinc/59/63/82/558596382.db2.gz MBVSSNISTVNAAG-UHFFFAOYSA-N 0 0 400.841 4.941 50 0 HJAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(C(=O)C2CC2)C2CCCCC2)o1 ZINC000004460999 558596410 /nfs/dbraw/zinc/59/64/10/558596410.db2.gz LINKETISFFZPSD-UHFFFAOYSA-N 0 0 422.569 4.731 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cc(F)ccc1Br ZINC000024388468 558596756 /nfs/dbraw/zinc/59/67/56/558596756.db2.gz YHYUHHIXZYCOJW-UHFFFAOYSA-N 0 0 416.294 4.663 50 0 HJAARN CCOc1ccc(-c2noc(CCCC(=O)Nc3cccc(C)c3C)n2)cc1OC ZINC000004488195 558601185 /nfs/dbraw/zinc/60/11/85/558601185.db2.gz XFUMNTHBMNRJPJ-UHFFFAOYSA-N 0 0 409.486 4.722 50 0 HJAARN COc1ccc2[nH]cc(CCNC(=O)c3c(C)onc3-c3ccccc3Cl)c2c1 ZINC000004487682 558601207 /nfs/dbraw/zinc/60/12/07/558601207.db2.gz PHEQDRSGHPOMJF-UHFFFAOYSA-N 0 0 409.873 4.766 50 0 HJAARN c1csc([C@@H](CNc2ncnc3scc(-c4ccccc4)c32)N2CCOCC2)c1 ZINC000024574711 558601551 /nfs/dbraw/zinc/60/15/51/558601551.db2.gz QQQWNFPHUFTFMY-GOSISDBHSA-N 0 0 422.579 4.905 50 0 HJAARN CCCOc1c(Cl)cc(/C=C2/NC(=S)N(c3ccccc3)C2=O)cc1OCC ZINC000013914656 558602160 /nfs/dbraw/zinc/60/21/60/558602160.db2.gz OFZGXTFNSOGFLP-SFQUDFHCSA-N 0 0 416.930 4.790 50 0 HJAARN O=C(CCn1c(=O)oc2ccccc21)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000024709337 558608267 /nfs/dbraw/zinc/60/82/67/558608267.db2.gz KURJRHDDHDCNDS-XMMPIXPASA-N 0 0 412.445 4.637 50 0 HJAARN Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)c12 ZINC000013960932 558608782 /nfs/dbraw/zinc/60/87/82/558608782.db2.gz QSFPLXNFXBZXKY-UHFFFAOYSA-N 0 0 406.820 4.661 50 0 HJAARN CCc1ccc(C(=O)CSc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)cc1 ZINC000004490751 558609567 /nfs/dbraw/zinc/60/95/67/558609567.db2.gz RZDIOWNFQKPHOX-HNNXBMFYSA-N 0 0 412.534 4.566 50 0 HJAARN COc1ccc2c(c1)CCCN2C(=O)c1sc(COc2ccc(F)cc2)nc1C ZINC000024747367 558609757 /nfs/dbraw/zinc/60/97/57/558609757.db2.gz IUGUQORKZQHBNQ-UHFFFAOYSA-N 0 0 412.486 4.771 50 0 HJAARN O=C(COc1cccc(C(F)(F)F)c1)N1CCS[C@@H](c2cccs2)CC1 ZINC000219526259 558609995 /nfs/dbraw/zinc/60/99/95/558609995.db2.gz KNXUVCUKCVWVQC-MRXNPFEDSA-N 0 0 401.475 4.853 50 0 HJAARN COc1ccc(CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)cc1F ZINC000004494143 558610240 /nfs/dbraw/zinc/61/02/40/558610240.db2.gz FUYRODNOHHQPPG-QGZVFWFLSA-N 0 0 417.481 4.703 50 0 HJAARN O=C(NCCc1cccs1)c1ccccc1C(=O)c1ccc(Br)cc1 ZINC000024763242 558611309 /nfs/dbraw/zinc/61/13/09/558611309.db2.gz XIHPCIKROQUZEP-UHFFFAOYSA-N 0 0 414.324 4.714 50 0 HJAARN O=C(Nc1nc2c(s1)CCCC2)c1cnn(-c2ccccc2F)c1C(F)(F)F ZINC000024763594 558611312 /nfs/dbraw/zinc/61/13/12/558611312.db2.gz YRKCMHIJTFLREV-UHFFFAOYSA-N 0 0 410.396 4.618 50 0 HJAARN Cc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4O)CC3)c3ccccc3n2)cc1 ZINC000024772939 558612225 /nfs/dbraw/zinc/61/22/25/558612225.db2.gz MAGCEKODHPRBEH-UHFFFAOYSA-N 0 0 423.516 4.878 50 0 HJAARN CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000014009871 558613143 /nfs/dbraw/zinc/61/31/43/558613143.db2.gz SHONPDCTZWXGQG-VGSSETLESA-N 0 0 400.862 4.623 50 0 HJAARN Cc1nn(C)c(C)c1NC(=O)[C@H](C)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000024831689 558614966 /nfs/dbraw/zinc/61/49/66/558614966.db2.gz NQHBVWVLAKDBEO-HNNXBMFYSA-N 0 0 419.554 4.677 50 0 HJAARN CCc1cc2c(ncn(CCC(=O)Nc3ccccc3-c3ccccc3)c2=O)s1 ZINC000024832154 558615019 /nfs/dbraw/zinc/61/50/19/558615019.db2.gz UGIKFGFQQSTOJT-UHFFFAOYSA-N 0 0 403.507 4.716 50 0 HJAARN O=C(C(c1ccccc1)c1ccccc1)N1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC000004505622 558616456 /nfs/dbraw/zinc/61/64/56/558616456.db2.gz OYVCMNYBJGEONO-UHFFFAOYSA-N 0 0 411.501 4.845 50 0 HJAARN CCOc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN(c4ncccn4)C3)cc2)cc1 ZINC000024842658 558617243 /nfs/dbraw/zinc/61/72/43/558617243.db2.gz DLQFGKYQPFZWSJ-GOSISDBHSA-N 0 0 418.497 4.523 50 0 HJAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCCC2)NCCC1=CCCCC1 ZINC000014084778 558618733 /nfs/dbraw/zinc/61/87/33/558618733.db2.gz BNIZPBYACLTOSF-UHFFFAOYSA-N 0 0 406.526 4.667 50 0 HJAARN CCN(C(=O)CSCc1cc(=O)n2c(C)csc2n1)c1cccc2ccccc21 ZINC000014093423 558619261 /nfs/dbraw/zinc/61/92/61/558619261.db2.gz YRAWLLOFTZSDGW-UHFFFAOYSA-N 0 0 423.563 4.504 50 0 HJAARN CCCCN1C[C@H](c2nc3ccccc3n2CCOc2ccc(C)c(C)c2)CC1=O ZINC000014095550 558619931 /nfs/dbraw/zinc/61/99/31/558619931.db2.gz QVRODLSUQNBEDA-HXUWFJFHSA-N 0 0 405.542 4.848 50 0 HJAARN CCCCN1C[C@H](c2nc3ccccc3n2CCOc2ccc(C)cc2C)CC1=O ZINC000014095522 558619940 /nfs/dbraw/zinc/61/99/40/558619940.db2.gz MUTOVCUSNXWLCC-HXUWFJFHSA-N 0 0 405.542 4.848 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000024929097 558621427 /nfs/dbraw/zinc/62/14/27/558621427.db2.gz NQTTYKIAVLVKPA-CYBMUJFWSA-N 0 0 406.313 4.868 50 0 HJAARN O=C(CCOc1ccccc1Cl)N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000024934536 558621628 /nfs/dbraw/zinc/62/16/28/558621628.db2.gz GBFMCYSCLXJGMA-FQEVSTJZSA-N 0 0 409.917 4.548 50 0 HJAARN CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000024943293 558621740 /nfs/dbraw/zinc/62/17/40/558621740.db2.gz LRBZJBRXLMLFAR-UHFFFAOYSA-N 0 0 413.477 4.766 50 0 HJAARN C[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2csc(-c3ccccc3Cl)n2)C1=O ZINC000024964104 558622476 /nfs/dbraw/zinc/62/24/76/558622476.db2.gz RECODBBBEKAOJQ-FQEVSTJZSA-N 0 0 415.877 4.570 50 0 HJAARN CCOc1c(Br)cc(C(=O)Nc2ccc3oc(C)nc3c2)cc1OC ZINC000024968780 558622893 /nfs/dbraw/zinc/62/28/93/558622893.db2.gz YNBUFWLOQJXFGV-UHFFFAOYSA-N 0 0 405.248 4.558 50 0 HJAARN Cc1onc(-c2ccccc2)c1C1=N/C(=C\c2ccc(Br)cc2)C(=O)O1 ZINC000004509347 558623090 /nfs/dbraw/zinc/62/30/90/558623090.db2.gz ZUOGDAAQUFTVQI-WJDWOHSUSA-N 0 0 409.239 4.757 50 0 HJAARN O=c1c2ccccc2c(-c2ccc(Br)cc2)nn1C[C@@H](O)c1ccccc1 ZINC000024990521 558625833 /nfs/dbraw/zinc/62/58/33/558625833.db2.gz LUJZBAOBXFSXMV-HXUWFJFHSA-N 0 0 421.294 4.560 50 0 HJAARN CCN1c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2OCC(C)(C)C1=O ZINC000010972193 558633043 /nfs/dbraw/zinc/63/30/43/558633043.db2.gz XQJMBTGXZDPGPS-UHFFFAOYSA-N 0 0 406.404 4.729 50 0 HJAARN C[C@@H]1c2[nH]c3ccccc3c2[C@H](c2ccccc2Cl)CN1CN1CCOC1=S ZINC000014200346 558636133 /nfs/dbraw/zinc/63/61/33/558636133.db2.gz CRCPGUJCIPLCNA-PBHICJAKSA-N 0 0 411.958 4.904 50 0 HJAARN C[C@@H](Oc1ccc(C(C)(C)c2ccccc2)cc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000014200707 558636387 /nfs/dbraw/zinc/63/63/87/558636387.db2.gz PVFQERCAFNEFNV-QGZVFWFLSA-N 0 0 402.494 4.517 50 0 HJAARN C[C@@H](NC(=S)Nc1ccc(Cl)cc1Cl)[C@@H](c1ccccc1)N1CCOCC1 ZINC000025329189 558638121 /nfs/dbraw/zinc/63/81/21/558638121.db2.gz BIFGJZQFTVKJMP-KUHUBIRLSA-N 0 0 424.397 4.742 50 0 HJAARN c1ccc2c(c1)CCC[C@H]2Nc1nc(CN2CCOCC2)nc2sc3c(c21)CCC3 ZINC000025397134 558639991 /nfs/dbraw/zinc/63/99/91/558639991.db2.gz DJDNZWVBGPOKAG-LJQANCHMSA-N 0 0 420.582 4.502 50 0 HJAARN C[C@H](NC(=O)c1oc2ccccc2c1CSc1nc[nH]n1)c1ccc(F)cc1F ZINC000014232248 558640309 /nfs/dbraw/zinc/64/03/09/558640309.db2.gz PUWYYDYUNRRFQQ-NSHDSACASA-N 0 0 414.437 4.612 50 0 HJAARN COc1ccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccc(C)c(C)c2)cc1 ZINC000004518168 558641714 /nfs/dbraw/zinc/64/17/14/558641714.db2.gz WSAORRIIJUVDRT-UHFFFAOYSA-N 0 0 419.529 4.869 50 0 HJAARN COc1cccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccc(C)c(C)c2)c1 ZINC000004518165 558641741 /nfs/dbraw/zinc/64/17/41/558641741.db2.gz CCSVDSBITVTXAR-UHFFFAOYSA-N 0 0 419.529 4.869 50 0 HJAARN C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(Sc4ccccc4)c23)C1 ZINC000025463023 558641759 /nfs/dbraw/zinc/64/17/59/558641759.db2.gz URCOLTFOBLDFKR-OAHLLOKOSA-N 0 0 411.596 4.800 50 0 HJAARN CCc1ccccc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1cccc(OC)c1 ZINC000004518205 558641821 /nfs/dbraw/zinc/64/18/21/558641821.db2.gz JAYOIXDQDVLBCL-UHFFFAOYSA-N 0 0 419.529 4.814 50 0 HJAARN Cc1nn(CCC(=O)NCc2nc(-c3ccc(Cl)cc3)cs2)c2ccccc12 ZINC000072243352 558642985 /nfs/dbraw/zinc/64/29/85/558642985.db2.gz GFWHFXUUNCWLJF-UHFFFAOYSA-N 0 0 410.930 4.828 50 0 HJAARN C[C@H](NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc2c(c1)CC(=O)N2 ZINC000046207138 558643155 /nfs/dbraw/zinc/64/31/55/558643155.db2.gz KHVSKFTXCWGLRG-LBPRGKRZSA-N 0 0 414.383 4.951 50 0 HJAARN Oc1ccc(Br)c([C@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN32)c1 ZINC000025559757 558643926 /nfs/dbraw/zinc/64/39/26/558643926.db2.gz UURPCKVFPOVUCN-YLJYHZDGSA-N 0 0 411.255 4.990 50 0 HJAARN CCCCc1noc(CSc2nc(N)c(-c3ccc(Cl)cc3)c(CC)n2)n1 ZINC000025589496 558645162 /nfs/dbraw/zinc/64/51/62/558645162.db2.gz OABKDPLZUGHEHW-UHFFFAOYSA-N 0 0 403.939 4.960 50 0 HJAARN CC(C)NC(=O)CC1(C(=O)Nc2ccc(Br)cc2Cl)CCCC1 ZINC000014245373 558646618 /nfs/dbraw/zinc/64/66/18/558646618.db2.gz PSKRKIRNOKDVAY-UHFFFAOYSA-N 0 0 401.732 4.516 50 0 HJAARN COc1ccc2c(CC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)coc2c1 ZINC000014251087 558649933 /nfs/dbraw/zinc/64/99/33/558649933.db2.gz SMVOKIBHMPZAOX-HXUWFJFHSA-N 0 0 407.466 4.509 50 0 HJAARN COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cc(OC)ccc2OC)c1 ZINC000025782499 558649886 /nfs/dbraw/zinc/64/98/86/558649886.db2.gz YYLLTXNKPGOKJC-WIOPSUGQSA-N 0 0 416.477 4.955 50 0 HJAARN CCc1ccc(S(=O)(=O)Nc2ccc(Br)cc2Br)cc1 ZINC000014255091 558651193 /nfs/dbraw/zinc/65/11/93/558651193.db2.gz CRPGZOLBDAQZBO-UHFFFAOYSA-N 0 0 419.138 4.575 50 0 HJAARN CC(=O)N[C@H](C)c1ccc(C(=O)CSc2nccn2-c2cc(C)ccc2C)cc1 ZINC000026047618 558654389 /nfs/dbraw/zinc/65/43/89/558654389.db2.gz KYELGAWBJZGPSO-QGZVFWFLSA-N 0 0 407.539 4.661 50 0 HJAARN CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)Cc2ccsc2)C3)c1 ZINC000014882148 558676406 /nfs/dbraw/zinc/67/64/06/558676406.db2.gz MLKKUSBXMDAQTA-LJQANCHMSA-N 0 0 423.509 4.728 50 0 HJAARN O=C(Cc1ccc(Cl)cc1)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2 ZINC000027664149 558679183 /nfs/dbraw/zinc/67/91/83/558679183.db2.gz AXVDMXSJZYXSAY-UHFFFAOYSA-N 0 0 414.914 4.594 50 0 HJAARN CCCOc1ccc(C(=O)N(Cc2ccc(OC)c(OC)c2)c2ccccn2)cc1 ZINC000027664328 558679403 /nfs/dbraw/zinc/67/94/03/558679403.db2.gz MJXAGWDZUMHEGG-UHFFFAOYSA-N 0 0 406.482 4.735 50 0 HJAARN CCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1C ZINC000027746714 558681246 /nfs/dbraw/zinc/68/12/46/558681246.db2.gz XOBVUZZPFYFIQU-CQSZACIVSA-N 0 0 415.877 4.812 50 0 HJAARN CCCOc1ccc2ccccc2c1CN(C)C(=O)c1cnc2cc(C)nn2c1C ZINC000027806049 558683325 /nfs/dbraw/zinc/68/33/25/558683325.db2.gz XZXPZYMHYDJKNU-UHFFFAOYSA-N 0 0 402.498 4.560 50 0 HJAARN COc1ccc(-c2nn(-c3ccccc3F)cc2CN(C)Cc2nccs2)cc1 ZINC000014968048 558686280 /nfs/dbraw/zinc/68/62/80/558686280.db2.gz QMVDPNQBMXBCAO-UHFFFAOYSA-N 0 0 408.502 4.776 50 0 HJAARN Cc1cc(=O)c(C(=O)NC2CCCCCC2)c(C)n1CCc1c[nH]c2ccccc12 ZINC000014967877 558686384 /nfs/dbraw/zinc/68/63/84/558686384.db2.gz DCRLJNHTORKMJX-UHFFFAOYSA-N 0 0 405.542 4.642 50 0 HJAARN c1cncc(CNCc2cc3cc4c(cc3nc2OCC2CCCCC2)OCO4)c1 ZINC000014979349 558690554 /nfs/dbraw/zinc/69/05/54/558690554.db2.gz MOXGIMGQAAZAEG-UHFFFAOYSA-N 0 0 405.498 4.607 50 0 HJAARN CC(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(=O)c3cc(F)ccc3o2)cc1 ZINC000028251338 558693783 /nfs/dbraw/zinc/69/37/83/558693783.db2.gz XCQRWIBSDOKKQO-HXUWFJFHSA-N 0 0 423.484 4.877 50 0 HJAARN O=C(Nc1ccc2c(c1)OCO2)c1ccccc1SCc1cn2ccccc2n1 ZINC000028261898 558694102 /nfs/dbraw/zinc/69/41/02/558694102.db2.gz VMWFOHUQJONCKZ-UHFFFAOYSA-N 0 0 403.463 4.608 50 0 HJAARN COc1ccc(C)cc1-c1csc(CN2CCC(NC(=O)OC(C)(C)C)CC2)n1 ZINC000072273305 558694253 /nfs/dbraw/zinc/69/42/53/558694253.db2.gz KQJJCPWKLAJKCP-UHFFFAOYSA-N 0 0 417.575 4.616 50 0 HJAARN CCOc1ccc(-c2nsc(NC(=O)[C@@H](CC)Oc3ccc(F)cc3)n2)cc1 ZINC000028287931 558694901 /nfs/dbraw/zinc/69/49/01/558694901.db2.gz LVXDJGBLPGSVLJ-QGZVFWFLSA-N 0 0 401.463 4.539 50 0 HJAARN Cc1cccc(C)c1OCC(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000028288525 558695306 /nfs/dbraw/zinc/69/53/06/558695306.db2.gz IKSNZCPOJVZWAB-UHFFFAOYSA-N 0 0 400.931 4.818 50 0 HJAARN CCN1C(=O)COc2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc21 ZINC000028404430 558699914 /nfs/dbraw/zinc/69/99/14/558699914.db2.gz BDVNKNQUPWJUHD-UHFFFAOYSA-N 0 0 400.887 4.861 50 0 HJAARN Cc1ccc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2C)cc1Cl ZINC000015018981 558703077 /nfs/dbraw/zinc/70/30/77/558703077.db2.gz ZEUUNQHMSIXFOO-UHFFFAOYSA-N 0 0 412.902 4.921 50 0 HJAARN Cc1cc(C)c(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccccc3C)C2=O)cc1C ZINC000004555140 558709874 /nfs/dbraw/zinc/70/98/74/558709874.db2.gz YLHZUMNJDBYLSB-MHZLTWQESA-N 0 0 413.517 4.928 50 0 HJAARN COc1ccc(-c2nnc(SCc3noc(-c4ccc(Cl)cc4)n3)o2)cc1 ZINC000029257456 558712553 /nfs/dbraw/zinc/71/25/53/558712553.db2.gz ZICGARQKBNFVMO-UHFFFAOYSA-N 0 0 400.847 4.741 50 0 HJAARN Clc1ccccc1-c1ccc(CN2CCN(Cc3nc(C4CC4)no3)CC2)s1 ZINC000029532374 558716530 /nfs/dbraw/zinc/71/65/30/558716530.db2.gz SEFWBTLIFRRCKN-UHFFFAOYSA-N 0 0 414.962 4.647 50 0 HJAARN COc1ccc(OC)c([C@H](C)NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c1 ZINC000029603474 558717862 /nfs/dbraw/zinc/71/78/62/558717862.db2.gz OEVVWADFZKOHGG-AWEZNQCLSA-N 0 0 414.889 4.822 50 0 HJAARN C[C@@H](Sc1nnc(N2CCCCC2)n1-c1ccccc1)c1nc(-c2ccco2)no1 ZINC000029740025 558719704 /nfs/dbraw/zinc/71/97/04/558719704.db2.gz SQDFWHUXTKRPKP-OAHLLOKOSA-N 0 0 422.514 4.754 50 0 HJAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000029797531 558721312 /nfs/dbraw/zinc/72/13/12/558721312.db2.gz JICBWQAJHYDXPG-BEFAXECRSA-N 0 0 401.890 4.632 50 0 HJAARN CCCCOCCN(Cc1nnc(SC)s1)c1cccc(Br)c1 ZINC000072289500 558722071 /nfs/dbraw/zinc/72/20/71/558722071.db2.gz YFQMICSLOXQSBU-UHFFFAOYSA-N 0 0 416.410 4.846 50 0 HJAARN CC(C)(C)OC(=O)N1CCC(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)CC1 ZINC000029845331 558722627 /nfs/dbraw/zinc/72/26/27/558722627.db2.gz SSKSDFZSSYPQDX-HSZRJFAPSA-N 0 0 420.553 4.808 50 0 HJAARN Cc1nn(-c2ccccc2)c(OC(=O)c2cccs2)c1NC(=O)c1cccs1 ZINC000015108532 558723479 /nfs/dbraw/zinc/72/34/79/558723479.db2.gz HSEOXGZKTFRMQE-UHFFFAOYSA-N 0 0 409.492 4.775 50 0 HJAARN CCc1ccccc1N(C(C)=O)c1nc(CSc2nnc(CSC)o2)cs1 ZINC000029917554 558724082 /nfs/dbraw/zinc/72/40/82/558724082.db2.gz KRBINLBSMVFBLQ-UHFFFAOYSA-N 0 0 420.585 4.928 50 0 HJAARN O=S(=O)(Nc1ccc(Nc2ncnc3sccc32)cc1)c1ccc(F)c(F)c1 ZINC000015130181 558724298 /nfs/dbraw/zinc/72/42/98/558724298.db2.gz BXITVQHOUKJDCQ-UHFFFAOYSA-N 0 0 418.450 4.514 50 0 HJAARN CC(C)OC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc2c1CCCC2 ZINC000004558299 558724403 /nfs/dbraw/zinc/72/44/03/558724403.db2.gz MFIPLIZTONLYHM-UHFFFAOYSA-N 0 0 407.919 4.863 50 0 HJAARN Cc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3cc(C)ccc3C)C2=O)c(C)c1 ZINC000004556258 558725608 /nfs/dbraw/zinc/72/56/08/558725608.db2.gz ZBFZEDMBHXLXCI-MHZLTWQESA-N 0 0 413.517 4.928 50 0 HJAARN O=C(Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1cc(F)ccc1F ZINC000030121510 558727175 /nfs/dbraw/zinc/72/71/75/558727175.db2.gz XBRRVPMDIOFUKP-UHFFFAOYSA-N 0 0 422.840 4.671 50 0 HJAARN COc1ccccc1CN(Cc1cccs1)C(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000030476704 558730827 /nfs/dbraw/zinc/73/08/27/558730827.db2.gz QAAMUMAZSBDFNQ-UHFFFAOYSA-N 0 0 415.898 4.981 50 0 HJAARN Cc1nc(-c2ccc(OS(=O)(=O)c3cccc4cc(C)cnc43)c(F)c2)cs1 ZINC000030519400 558731582 /nfs/dbraw/zinc/73/15/82/558731582.db2.gz AFXVEHCBYPCVDL-UHFFFAOYSA-N 0 0 414.483 4.882 50 0 HJAARN CC(C)n1ncc2c1nc(-c1ccccc1)cc2C(=O)N1CCn2c3ccccc3nc21 ZINC000030661224 558735403 /nfs/dbraw/zinc/73/54/03/558735403.db2.gz RYTLFCQUVDOZMX-UHFFFAOYSA-N 0 0 422.492 4.689 50 0 HJAARN COc1ccc([C@H]2C(=O)N(c3ccccc3F)CC(=O)N2c2ccc(C)cc2C)cc1 ZINC000015412258 558738103 /nfs/dbraw/zinc/73/81/03/558738103.db2.gz AQWNZZHTGJWCTR-DEOSSOPVSA-N 0 0 418.468 4.572 50 0 HJAARN Cc1c(C(=O)N2CCCN(Cc3ccccc3)CC2)sc2nc(C3CC3)nc(C)c12 ZINC000030801331 558738356 /nfs/dbraw/zinc/73/83/56/558738356.db2.gz XXHFYNXCFRVOLR-UHFFFAOYSA-N 0 0 420.582 4.534 50 0 HJAARN Cc1ccc([C@@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccc(Cl)cc2)o1 ZINC000015412864 558738476 /nfs/dbraw/zinc/73/84/76/558738476.db2.gz IDRAQBGDOSEBIL-JOCHJYFZSA-N 0 0 408.885 4.979 50 0 HJAARN CCOc1cc(-c2ccccc2)sc1C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000071926845 558745655 /nfs/dbraw/zinc/74/56/55/558745655.db2.gz LUMPRFIWSRNSJL-UHFFFAOYSA-N 0 0 406.507 4.958 50 0 HJAARN CCOc1ccc2nc(NC(=O)C[C@H]3c4ccccc4C=CN3C(C)=O)sc2c1 ZINC000015611231 558746125 /nfs/dbraw/zinc/74/61/25/558746125.db2.gz KYPHDKNTMZJRCR-IBGZPJMESA-N 0 0 407.495 4.598 50 0 HJAARN CC(C)c1ccc(NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000030955120 558746934 /nfs/dbraw/zinc/74/69/34/558746934.db2.gz WGBDKIXLJBGMKW-UHFFFAOYSA-N 0 0 404.514 4.711 50 0 HJAARN COc1ccc(CN(C(=O)c2cc(=O)c3cc(Cl)ccc3o2)c2ccccn2)cc1 ZINC000015669881 558748006 /nfs/dbraw/zinc/74/80/06/558748006.db2.gz CUBUXNWBJXLHJA-UHFFFAOYSA-N 0 0 420.852 4.697 50 0 HJAARN CCOCCCNC(=O)N1CCc2c3cc(OC)ccc3[nH]c2[C@H]1c1ccc(C)cc1 ZINC000015725550 558750512 /nfs/dbraw/zinc/75/05/12/558750512.db2.gz MTUNPNXZXSBVTL-XMMPIXPASA-N 0 0 421.541 4.569 50 0 HJAARN CCCCC(=O)N[C@@H](NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000015777203 558752529 /nfs/dbraw/zinc/75/25/29/558752529.db2.gz ZYVWJLWJZSPFBY-LBPRGKRZSA-N 0 0 417.189 4.629 50 0 HJAARN Cc1ccc(C(=O)N[C@H](Cc2ccccc2)c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000071195069 558755601 /nfs/dbraw/zinc/75/56/01/558755601.db2.gz NSGATDBWJGMIAV-OAQYLSRUSA-N 0 0 401.441 4.898 50 0 HJAARN Cc1cccc(OCCSc2nc3ccccc3n2CC(=O)N2CCCCCC2)c1 ZINC000015833358 558755731 /nfs/dbraw/zinc/75/57/31/558755731.db2.gz HSYSBHGPOYHFOW-UHFFFAOYSA-N 0 0 423.582 4.918 50 0 HJAARN COc1ccccc1OCC(=O)N(C)[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000015835555 558755738 /nfs/dbraw/zinc/75/57/38/558755738.db2.gz UMXDHOYRZISANE-HSZRJFAPSA-N 0 0 406.507 4.865 50 0 HJAARN CCN(C(=O)C1CCN(C(=O)OCC(C)C)CC1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000072303434 558755897 /nfs/dbraw/zinc/75/58/97/558755897.db2.gz KMJMJFVZKPIGMI-JOCHJYFZSA-N 0 0 420.569 4.746 50 0 HJAARN CCN(C(=O)C1CCN(C(=O)OCC(C)C)CC1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000072303433 558755943 /nfs/dbraw/zinc/75/59/43/558755943.db2.gz KMJMJFVZKPIGMI-QFIPXVFZSA-N 0 0 420.569 4.746 50 0 HJAARN COc1ccccc1OCCCOc1ccc(Cl)cc1C=C1SC(=O)NC1=O ZINC000015857235 558757156 /nfs/dbraw/zinc/75/71/56/558757156.db2.gz MZGYLVVZBMINKV-PDGQHHTCSA-N 0 0 419.886 4.520 50 0 HJAARN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)CSCC(=O)Nc2cccc(C)c2)o1 ZINC000072304727 558757372 /nfs/dbraw/zinc/75/73/72/558757372.db2.gz OKQZBNUPNLEPFC-VQIMIIECSA-N 0 0 400.544 4.568 50 0 HJAARN CCSc1nnc2c(n1)O[C@H](c1ccc(C)c(C)c1)N(C(C)=O)c1ccccc1-2 ZINC000032997276 558758629 /nfs/dbraw/zinc/75/86/29/558758629.db2.gz VLASKGWFOMJLPR-OAQYLSRUSA-N 0 0 406.511 4.712 50 0 HJAARN O=S(=O)(c1cccc2nsnc21)N1CCCCC[C@H]1c1ccccc1Cl ZINC000015866761 558758830 /nfs/dbraw/zinc/75/88/30/558758830.db2.gz WCKLRMUJASWBSA-INIZCTEOSA-N 0 0 407.948 4.651 50 0 HJAARN CCC(=O)N1c2ccc(C)cc2-c2nnc(SC)nc2O[C@H]1c1ccccc1C ZINC000032997520 558758817 /nfs/dbraw/zinc/75/88/17/558758817.db2.gz JZNOLOFMRYMIIL-NRFANRHFSA-N 0 0 406.511 4.712 50 0 HJAARN CCC(=O)N1c2ccc(C)cc2-c2nnc(SC)nc2O[C@@H]1c1ccccc1C ZINC000032997519 558758841 /nfs/dbraw/zinc/75/88/41/558758841.db2.gz JZNOLOFMRYMIIL-OAQYLSRUSA-N 0 0 406.511 4.712 50 0 HJAARN CCSc1nnc2c(n1)O[C@@H](c1ccccc1F)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997689 558758843 /nfs/dbraw/zinc/75/88/43/558758843.db2.gz NGSMGZFBRHYKHP-NRFANRHFSA-N 0 0 424.501 4.851 50 0 HJAARN COc1ccc(NC(=O)COc2cccc(C)c2)cc1NC(=O)c1cccc(C)c1 ZINC000032998400 558759318 /nfs/dbraw/zinc/75/93/18/558759318.db2.gz FJQMYKHXYNZKGL-UHFFFAOYSA-N 0 0 404.466 4.582 50 0 HJAARN COc1ccc(C(=O)Nc2ccc(OC)c(NC(=O)c3cccc(C)c3)c2)c(OC)c1 ZINC000032998388 558759353 /nfs/dbraw/zinc/75/93/53/558759353.db2.gz UVFAEELYPGRTGJ-UHFFFAOYSA-N 0 0 420.465 4.525 50 0 HJAARN CC(C)C(=O)Nc1ccccc1Sc1nc(Cl)nn1CCc1ccccc1 ZINC000015869134 558759939 /nfs/dbraw/zinc/75/99/39/558759939.db2.gz LUEDJQGIUPOVHE-UHFFFAOYSA-N 0 0 400.935 4.920 50 0 HJAARN O=C(CSc1nnc(-c2cccs2)n1-n1cccc1)Nc1ccc(Cl)cc1 ZINC000015882533 558760853 /nfs/dbraw/zinc/76/08/53/558760853.db2.gz WAXNSWYNQJCUNC-UHFFFAOYSA-N 0 0 415.931 4.504 50 0 HJAARN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)Nc2nnc(C3CC3)s2)C1 ZINC000072305824 558762275 /nfs/dbraw/zinc/76/22/75/558762275.db2.gz DAWQSNDAAXOPDY-OAHLLOKOSA-N 0 0 410.547 4.758 50 0 HJAARN Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1cc(-c2ccc(Br)cc2)on1 ZINC000033269805 558763278 /nfs/dbraw/zinc/76/32/78/558763278.db2.gz XJRDAZAYGMOATI-INIZCTEOSA-N 0 0 416.275 4.686 50 0 HJAARN Cc1noc(C)c1[C@H]1CCCN1C(=O)c1cc(-c2ccc(Br)cc2)on1 ZINC000033269806 558763367 /nfs/dbraw/zinc/76/33/67/558763367.db2.gz XJRDAZAYGMOATI-MRXNPFEDSA-N 0 0 416.275 4.686 50 0 HJAARN C[C@@](O)(CNC(=O)c1ccccc1Nc1ccc(OC(F)F)cc1)c1ccsc1 ZINC000072306593 558763576 /nfs/dbraw/zinc/76/35/76/558763576.db2.gz CXOIYULKIRRHLE-OAQYLSRUSA-N 0 0 418.465 4.731 50 0 HJAARN O=C(Cc1ccccc1Cl)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000033274124 558763791 /nfs/dbraw/zinc/76/37/91/558763791.db2.gz XSEGULZFWILSKO-OAQYLSRUSA-N 0 0 403.869 4.838 50 0 HJAARN Cc1cc(-c2csc(NC(=O)c3c(F)cccc3F)n2)c(C)n1C[C@@H]1CCCO1 ZINC000016012341 558766665 /nfs/dbraw/zinc/76/66/65/558766665.db2.gz IXGMQFSVCXFCAC-AWEZNQCLSA-N 0 0 417.481 4.938 50 0 HJAARN CN(C)C(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1 ZINC000016013558 558766694 /nfs/dbraw/zinc/76/66/94/558766694.db2.gz KSBMABFVMQLWAI-UHFFFAOYSA-N 0 0 416.506 4.555 50 0 HJAARN COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCC2)cc(OC)c1OC ZINC000071289138 558770496 /nfs/dbraw/zinc/77/04/96/558770496.db2.gz IEUSBGBFJMHBGC-SFHVURJKSA-N 0 0 403.504 4.616 50 0 HJAARN O=C(Cc1csc(-c2cccc(Cl)c2)n1)Nc1ccc(N2CCCC2=O)cc1 ZINC000016109894 558772183 /nfs/dbraw/zinc/77/21/83/558772183.db2.gz IZPPORVTRXYYRD-UHFFFAOYSA-N 0 0 411.914 4.772 50 0 HJAARN CC(=O)N1CCc2cc(C(=O)[C@@H](C)Sc3nnc(-c4cc(C)cc(C)c4)o3)ccc21 ZINC000016132861 558773175 /nfs/dbraw/zinc/77/31/75/558773175.db2.gz HVHQNSXCDGCRQX-OAHLLOKOSA-N 0 0 421.522 4.626 50 0 HJAARN COc1ccc(CCn2c(=O)c3ccccc3nc2-c2ccc(C)cc2)cc1OC ZINC000000784692 558774208 /nfs/dbraw/zinc/77/42/08/558774208.db2.gz KCYJCPHZWMCHDH-UHFFFAOYSA-N 0 0 400.478 4.632 50 0 biogenic HJAARN Cc1cccc(C)c1NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000000833413 558774610 /nfs/dbraw/zinc/77/46/10/558774610.db2.gz FDSPFSPNUVHFMU-UHFFFAOYSA-N 0 0 424.522 4.500 50 0 HJAARN C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1)c1ccccc1 ZINC000003100299 558780079 /nfs/dbraw/zinc/78/00/79/558780079.db2.gz BFSQWIMPEHAODQ-GOSISDBHSA-N 0 0 410.477 4.616 50 0 HJAARN CS(=O)(=O)N(CC(=O)Nc1cccc2ccccc21)c1cccc(Cl)c1Cl ZINC000016248373 558780718 /nfs/dbraw/zinc/78/07/18/558780718.db2.gz HZCUWOBCYJJOKG-UHFFFAOYSA-N 0 0 423.321 4.551 50 0 HJAARN CCOC(=O)[C@H](C)Oc1ccc2oc(=O)cc(-c3cc4cccc(OC)c4o3)c2c1 ZINC000004586210 558782462 /nfs/dbraw/zinc/78/24/62/558782462.db2.gz FFFOXEXYJUVREJ-ZDUSSCGKSA-N 0 0 408.406 4.545 50 0 biogenic HJAARN COc1ccccc1-c1cc(CN(Cc2ccco2)C(=O)Cc2ccc(F)cc2)no1 ZINC000034922237 558787821 /nfs/dbraw/zinc/78/78/21/558787821.db2.gz ZRNAPRLTLXRUEX-UHFFFAOYSA-N 0 0 420.440 4.854 50 0 HJAARN O=C(NCc1ccc2c(c1)OCO2)c1sc2cc(Br)ccc2c1Cl ZINC000016400624 558789906 /nfs/dbraw/zinc/78/99/06/558789906.db2.gz QWBNLCOZHHIMKC-UHFFFAOYSA-N 0 0 424.703 4.976 50 0 HJAARN Cc1ccc(C)c(N2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NC2CCCC2)c1 ZINC000035482086 558792663 /nfs/dbraw/zinc/79/26/63/558792663.db2.gz ODOZDJUGFSFLLJ-XMMPIXPASA-N 0 0 421.566 4.798 50 0 HJAARN Cc1ccc(C2=NC(=CNc3ccc(C(=O)N(C)c4ccccc4)cc3)C(=O)O2)cc1 ZINC000004590455 558792710 /nfs/dbraw/zinc/79/27/10/558792710.db2.gz MTJZFFJUVPPSKA-JWGURIENSA-N 0 0 411.461 4.529 50 0 HJAARN CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1 ZINC000016489325 558794342 /nfs/dbraw/zinc/79/43/42/558794342.db2.gz XTUYSTGLEAAUNT-UHFFFAOYSA-N 0 0 408.329 4.632 50 0 HJAARN COC(=O)c1ccc(-c2nc3cc(C)ccn3c2Nc2ccc(OC)c(OC)c2)cc1 ZINC000035616565 558794709 /nfs/dbraw/zinc/79/47/09/558794709.db2.gz WZZPITLQBUFZHI-UHFFFAOYSA-N 0 0 417.465 4.857 50 0 HJAARN CC[C@H](C)N(Cc1cc(Cl)ccc1OCc1nc(CO)cs1)C(=O)C(C)C ZINC000036094457 558797704 /nfs/dbraw/zinc/79/77/04/558797704.db2.gz YPHRQKPIWNPEAT-AWEZNQCLSA-N 0 0 410.967 4.651 50 0 HJAARN COc1ccccc1CN(c1ccc(C)c(F)c1)S(=O)(=O)c1ccccc1F ZINC000036247574 558798600 /nfs/dbraw/zinc/79/86/00/558798600.db2.gz UTQZCUWNDJKKNV-UHFFFAOYSA-N 0 0 403.450 4.677 50 0 HJAARN Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccc(Cl)cc2)O3)cc1 ZINC000032983491 558804600 /nfs/dbraw/zinc/80/46/00/558804600.db2.gz MGZTXBDLVPWTOP-WSDLNYQXSA-N 0 0 418.880 4.950 50 0 HJAARN CCOP(=O)(OCC)c1nc(Cc2ccccc2)oc1NCc1ccc(F)cc1 ZINC000016753249 558805282 /nfs/dbraw/zinc/80/52/82/558805282.db2.gz OKBVPRRZFVADEA-UHFFFAOYSA-N 0 0 418.405 4.908 50 0 HJAARN CCc1ccc(-c2cc3c(SCC(=O)Nc4ccc(F)cc4)nccn3n2)cc1 ZINC000016841629 558808290 /nfs/dbraw/zinc/80/82/90/558808290.db2.gz RLAVIHYQEVXAQZ-UHFFFAOYSA-N 0 0 406.486 4.829 50 0 HJAARN Cc1cccc(C)c1OC[C@@H](O)Cn1c(COc2ccccc2)nc2ccccc21 ZINC000016903153 558809048 /nfs/dbraw/zinc/80/90/48/558809048.db2.gz JNKIDKMSQGTALD-FQEVSTJZSA-N 0 0 402.494 4.672 50 0 HJAARN CCOc1ccccc1C(=O)Nc1ccccc1Sc1c(C)c(C)nc2ncnn21 ZINC000032995736 558810036 /nfs/dbraw/zinc/81/00/36/558810036.db2.gz OAMWVOYFGJEUDC-UHFFFAOYSA-N 0 0 419.510 4.543 50 0 HJAARN Cc1cc(C)cc(Nc2nc(NC[C@@H]3CCCO3)nc3c2cnn3-c2ccccc2)c1 ZINC000017010855 558811532 /nfs/dbraw/zinc/81/15/32/558811532.db2.gz FRNBXZGZZARUNR-FQEVSTJZSA-N 0 0 414.513 4.767 50 0 HJAARN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@]21S[C@@H](C)C(=O)N1c1ccccc1 ZINC000017082952 558815392 /nfs/dbraw/zinc/81/53/92/558815392.db2.gz OSFXYNKICFYGKY-UPCLLVRISA-N 0 0 404.535 4.858 50 0 HJAARN C[C@@H](NC(=S)N1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccccc1 ZINC000017087869 558816793 /nfs/dbraw/zinc/81/67/93/558816793.db2.gz PLPZJDHCFNECTD-OAHLLOKOSA-N 0 0 408.398 4.747 50 0 HJAARN Cc1ccccc1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)n1C ZINC000017088595 558817345 /nfs/dbraw/zinc/81/73/45/558817345.db2.gz CRBZVPKHOPPRHC-UHFFFAOYSA-N 0 0 410.543 4.557 50 0 HJAARN Clc1ccc(Cl)c(OCc2cccc(-c3nc4c5cnnc-5ncn4[nH]3)c2)c1 ZINC000017088752 558817491 /nfs/dbraw/zinc/81/74/91/558817491.db2.gz YZIGZEWUCXVILQ-UHFFFAOYSA-N 0 0 411.252 4.553 50 0 HJAARN Cc1scc(C(=O)Nn2c(=O)c3c4c(sc3[nH]c2=S)CCCCCC4)c1C ZINC000017091976 558820521 /nfs/dbraw/zinc/82/05/21/558820521.db2.gz UXRARLJYBIFUFG-UHFFFAOYSA-N 0 0 419.597 4.842 50 0 HJAARN CCOc1cc(-c2nc(CSc3ncccn3)cs2)cc(Br)c1O ZINC000017093802 558822295 /nfs/dbraw/zinc/82/22/95/558822295.db2.gz JELFZUNCDSJEAG-UHFFFAOYSA-N 0 0 424.345 4.759 50 0 HJAARN O=C(Cc1nnc(NC(=O)Nc2ccc(Cl)cc2Cl)s1)Nc1ccccc1 ZINC000017146131 558824046 /nfs/dbraw/zinc/82/40/46/558824046.db2.gz XDVZBJBZAWDZQG-UHFFFAOYSA-N 0 0 422.297 4.670 50 0 HJAARN COc1ccc(-c2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)o2)cc1 ZINC000017195350 558825408 /nfs/dbraw/zinc/82/54/08/558825408.db2.gz QJIDMFWSDDESGV-UHFFFAOYSA-N 0 0 424.507 4.600 50 0 HJAARN Cc1cc2nc(C)c(=O)n(Cc3ccc(C(=O)NC4CCCCCC4)cc3)c2cc1C ZINC000033005966 558827740 /nfs/dbraw/zinc/82/77/40/558827740.db2.gz SJFYLCMCVLPXCZ-UHFFFAOYSA-N 0 0 417.553 4.823 50 0 HJAARN CCCCN(CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1cc(F)cc(F)c1 ZINC000004591122 558829279 /nfs/dbraw/zinc/82/92/79/558829279.db2.gz YUUIVHUEBBFMLG-JOCHJYFZSA-N 0 0 422.516 4.980 50 0 HJAARN Cc1ccc(CNC(=O)c2ccc(Nc3cc(-c4ccc(F)cc4)ncn3)cc2)o1 ZINC000033010725 558830720 /nfs/dbraw/zinc/83/07/20/558830720.db2.gz AVQAAZJAJYBUCT-UHFFFAOYSA-N 0 0 402.429 4.858 50 0 HJAARN Cc1c(NC(=O)[C@@H](C)Oc2ccccc2)cccc1NC(=O)[C@H](C)Oc1ccccc1 ZINC000018083947 558830887 /nfs/dbraw/zinc/83/08/87/558830887.db2.gz KDYKUYUCADSQIL-KDURUIRLSA-N 0 0 418.493 4.807 50 0 HJAARN Clc1ccc(-c2csc3ncnc(N4CCN(c5ccccn5)CC4)c23)cc1 ZINC000018148656 558832145 /nfs/dbraw/zinc/83/21/45/558832145.db2.gz VCDAZAJYVBSBCN-UHFFFAOYSA-N 0 0 407.930 4.733 50 0 HJAARN COc1ccc(C(=O)Nc2ccc3c(c2)nc(CCc2ccccc2)n3C)cc1OC ZINC000033020508 558836577 /nfs/dbraw/zinc/83/65/77/558836577.db2.gz VELFUVXKGOFWNL-UHFFFAOYSA-N 0 0 415.493 4.628 50 0 HJAARN O=C(CSc1nccn2nc(-c3cccc4ccccc43)cc12)NC1CCCC1 ZINC000046005328 558838613 /nfs/dbraw/zinc/83/86/13/558838613.db2.gz VQIIARCIUQHJQQ-UHFFFAOYSA-N 0 0 402.523 4.700 50 0 HJAARN Cc1cccc(NC(=O)c2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)c1C ZINC000013583475 558845252 /nfs/dbraw/zinc/84/52/52/558845252.db2.gz QPXVADFSWZHEEK-UHFFFAOYSA-N 0 0 420.534 4.697 50 0 HJAARN O=C(Nc1ccccc1SCc1cc(=O)n2ccccc2n1)c1ccc(Cl)cc1 ZINC000033026111 558847075 /nfs/dbraw/zinc/84/70/75/558847075.db2.gz CIYVGTIMKKFSLL-UHFFFAOYSA-N 0 0 421.909 4.893 50 0 HJAARN COc1ccc2c(c1)oc(C)c(Oc1ccc(C(=O)Nc3ncc(C)s3)cc1)c2=O ZINC000013690021 558855326 /nfs/dbraw/zinc/85/53/26/558855326.db2.gz MQQZVKVLPDYNNC-UHFFFAOYSA-N 0 0 422.462 4.920 50 0 HJAARN O=C(OCc1ccccc1)N1CCC2(CNc3c2cccc3Br)CC1 ZINC000051943327 558857724 /nfs/dbraw/zinc/85/77/24/558857724.db2.gz KZKLFTYTLKBZLX-UHFFFAOYSA-N 0 0 401.304 4.545 50 0 HJAARN Cc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)N4CCC(C)CC4)c3)C2)cc1 ZINC000033034918 558858839 /nfs/dbraw/zinc/85/88/39/558858839.db2.gz OWQBDXJHBDYYEQ-XMMPIXPASA-N 0 0 404.554 4.887 50 0 HJAARN CCOC(=O)c1sc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)nc1C ZINC000019295445 558865785 /nfs/dbraw/zinc/86/57/85/558865785.db2.gz MJSAAJODAQNKJF-UHFFFAOYSA-N 0 0 421.931 4.586 50 0 HJAARN CCCCOc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4C)CC3)[nH]n2)cc1 ZINC000072331257 558867666 /nfs/dbraw/zinc/86/76/66/558867666.db2.gz SXKWHVQPFWAMBK-UHFFFAOYSA-N 0 0 418.541 4.526 50 0 HJAARN CCOC(=O)C[C@H](NC(=O)c1c(Cl)cccc1Cl)c1ccc(OCC)cc1 ZINC000004653337 558869584 /nfs/dbraw/zinc/86/95/84/558869584.db2.gz HGIXKUUSRFBFNR-KRWDZBQOSA-N 0 0 410.297 4.816 50 0 HJAARN CCN(CC)c1nc2ccccc2nc1C(=O)Nc1ccc(Br)cc1F ZINC000033085940 558870579 /nfs/dbraw/zinc/87/05/79/558870579.db2.gz KNALIGWPQWFIFQ-UHFFFAOYSA-N 0 0 417.282 4.630 50 0 HJAARN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(-n2cnnc2)c1 ZINC000033087409 558871277 /nfs/dbraw/zinc/87/12/77/558871277.db2.gz YZRFISFXBSAWTA-ZDUSSCGKSA-N 0 0 402.857 4.591 50 0 HJAARN COc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1C ZINC000033095197 558872660 /nfs/dbraw/zinc/87/26/60/558872660.db2.gz NIGSAJDKXOMBQE-KRWDZBQOSA-N 0 0 407.297 4.554 50 0 HJAARN FC(F)(F)c1cccc(NC(=S)N2CCn3cccc3[C@@H]2c2cccnc2)c1 ZINC000004659435 558872864 /nfs/dbraw/zinc/87/28/64/558872864.db2.gz SVZGDFFHVFMCTJ-SFHVURJKSA-N 0 0 402.445 4.704 50 0 HJAARN Cc1cc(C)cc(NC(=O)CSc2nc(N3CCCCC3)nc3ccccc32)c1 ZINC000033114724 558876465 /nfs/dbraw/zinc/87/64/65/558876465.db2.gz AVYFTJZYDXEXMC-UHFFFAOYSA-N 0 0 406.555 4.968 50 0 HJAARN CSc1ncc(CN2CCC[C@@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)cn1 ZINC000055270032 558877809 /nfs/dbraw/zinc/87/78/09/558877809.db2.gz FIBBVOAULJLUCJ-LJQANCHMSA-N 0 0 403.551 4.545 50 0 HJAARN Cc1nc2nc(C)cc(Sc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)n2n1 ZINC000033122255 558878981 /nfs/dbraw/zinc/87/89/81/558878981.db2.gz FNXZFLPRDOBFLG-UHFFFAOYSA-N 0 0 408.462 4.675 50 0 HJAARN CCOc1c2cc(NC(=O)c3ccc(Br)o3)ccc2sc1C(=O)OC ZINC000033123376 558879584 /nfs/dbraw/zinc/87/95/84/558879584.db2.gz GFEDCPQHSOMDBO-UHFFFAOYSA-N 0 0 424.272 4.694 50 0 HJAARN Cc1cccn2c(CN[C@@H](C)c3ccccc3Cl)c(C(=O)N3CCCCC3)nc12 ZINC000055358362 558879960 /nfs/dbraw/zinc/87/99/60/558879960.db2.gz QGSJCZRIJRKWSA-KRWDZBQOSA-N 0 0 410.949 4.773 50 0 HJAARN S=c1sc2c(ncnc2N2CCN(Cc3ccccc3)CC2)n1-c1ccccc1 ZINC000055364201 558880085 /nfs/dbraw/zinc/88/00/85/558880085.db2.gz NJXOYLWNHCQODE-UHFFFAOYSA-N 0 0 419.579 4.534 50 0 HJAARN Cc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCc3ccccc32)c(C)c1 ZINC000033127979 558881436 /nfs/dbraw/zinc/88/14/36/558881436.db2.gz RXGMBBLKVBRTJZ-QHCPKHFHSA-N 0 0 413.521 4.626 50 0 HJAARN COc1cccc(CNC(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(C)cc2)CC3)c1 ZINC000033128692 558882709 /nfs/dbraw/zinc/88/27/09/558882709.db2.gz WIPFGKNDIATGOK-UHFFFAOYSA-N 0 0 415.493 4.528 50 0 HJAARN CCCCOc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2CCCC)cc1 ZINC000004673088 558885017 /nfs/dbraw/zinc/88/50/17/558885017.db2.gz MABHOOYOWYGKHD-QHCPKHFHSA-N 0 0 400.563 4.710 50 0 HJAARN O=C(CNC(=S)N(Cc1cccs1)C1CCCCC1)NCCC1=CCCCC1 ZINC000004672109 558886020 /nfs/dbraw/zinc/88/60/20/558886020.db2.gz JGIBUFBZCDQFML-UHFFFAOYSA-N 0 0 419.660 4.764 50 0 HJAARN Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NCCc3ccco3)cc1CC2 ZINC000033049025 558886426 /nfs/dbraw/zinc/88/64/26/558886426.db2.gz OYYVXGVYQRKLPH-UHFFFAOYSA-N 0 0 403.507 4.573 50 0 HJAARN COC(=O)c1ccc(NC(=O)Nc2c3cc(F)ccc3[nH]c2-c2cccnc2)cc1 ZINC000033130764 558887224 /nfs/dbraw/zinc/88/72/24/558887224.db2.gz DFBAMLBVSRFUCS-UHFFFAOYSA-N 0 0 404.401 4.800 50 0 HJAARN Cc1ccc(CNC(=O)c2cccc(-c3ccc(Oc4ccc(F)cc4)nn3)c2)o1 ZINC000033131085 558887531 /nfs/dbraw/zinc/88/75/31/558887531.db2.gz SOPQSEKKSAJLBA-UHFFFAOYSA-N 0 0 403.413 4.906 50 0 HJAARN COc1ccc([C@H]2CC(c3c(C)cc(C)[nH]c3=O)=NN2c2ccccc2F)cc1OC ZINC000004625235 558888547 /nfs/dbraw/zinc/88/85/47/558888547.db2.gz RQUPGYIKLJYGHZ-HXUWFJFHSA-N 0 0 421.472 4.504 50 0 HJAARN O=C(CSc1nccn2nc(-c3ccc(Cl)cc3)cc12)Nc1cccc(F)c1 ZINC000057511027 558888949 /nfs/dbraw/zinc/88/89/49/558888949.db2.gz CZWXYQYEDOBMQX-UHFFFAOYSA-N 0 0 412.877 4.920 50 0 HJAARN CCc1ccc(-c2cc3c(SCC(=O)Nc4cccc(F)c4)nccn3n2)cc1 ZINC000057511110 558889031 /nfs/dbraw/zinc/88/90/31/558889031.db2.gz WXCKPSFXTBSDNI-UHFFFAOYSA-N 0 0 406.486 4.829 50 0 HJAARN Clc1ccc(OCc2nn3c(nnc3C34CC5CC(CC(C5)C3)C4)s2)cc1 ZINC000072333571 558891834 /nfs/dbraw/zinc/89/18/34/558891834.db2.gz JEVNWVMUWPSGPD-UHFFFAOYSA-N 0 0 400.935 4.886 50 0 HJAARN O=C(CC(c1ccccc1)c1ccccc1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000011227333 558892500 /nfs/dbraw/zinc/89/25/00/558892500.db2.gz FWGJWRHXQGTZJP-UHFFFAOYSA-N 0 0 412.533 4.630 50 0 HJAARN CCn1ccc2cc(NC(=O)c3nn(Cc4ccccc4)c(=O)c4ccccc43)ccc21 ZINC000057985143 558892525 /nfs/dbraw/zinc/89/25/25/558892525.db2.gz SAJUXKZUGVBQNQ-UHFFFAOYSA-N 0 0 422.488 4.672 50 0 HJAARN Cc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2I)cc1 ZINC000058030939 558896546 /nfs/dbraw/zinc/89/65/46/558896546.db2.gz SLQVXJUUTSSQPJ-UHFFFAOYSA-N 0 0 419.184 4.800 50 0 HJAARN O=C(Nc1nnc(C2CCCCC2)s1)N(Cc1ccncc1)Cc1cccnc1 ZINC000058060900 558897378 /nfs/dbraw/zinc/89/73/78/558897378.db2.gz DSZRYWOZQYGQAQ-UHFFFAOYSA-N 0 0 408.531 4.610 50 0 HJAARN C[C@H](NC(=O)[C@@H]1CCCN(c2nccnc2Sc2ccccc2)C1)c1ccccc1 ZINC000033168803 558898359 /nfs/dbraw/zinc/89/83/59/558898359.db2.gz 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ZINC000004699968 558907641 /nfs/dbraw/zinc/90/76/41/558907641.db2.gz PKJYYOGRHWGJBE-UHFFFAOYSA-N 0 0 411.527 4.601 50 0 HJAARN Cc1ccc(NC(=O)CSc2nnc(Cc3cccc4ccccc43)n2C)c(C)c1 ZINC000004700506 558912231 /nfs/dbraw/zinc/91/22/31/558912231.db2.gz ZWBUREPTPQXFJU-UHFFFAOYSA-N 0 0 416.550 4.907 50 0 HJAARN Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000058218431 558913031 /nfs/dbraw/zinc/91/30/31/558913031.db2.gz IPUIHQCHYPASRO-MRXNPFEDSA-N 0 0 419.447 4.688 50 0 HJAARN CC(=O)Nc1ccc2nc(NC(=O)COc3ccc(C4CCCCC4)cc3)oc2c1 ZINC000004703996 558913508 /nfs/dbraw/zinc/91/35/08/558913508.db2.gz IHGYTIQVMLVXSX-UHFFFAOYSA-N 0 0 407.470 4.851 50 0 HJAARN CCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cccnc4)=NN32)cc1 ZINC000004715748 558915044 /nfs/dbraw/zinc/91/50/44/558915044.db2.gz RDLMHPQQKYHADS-URXFXBBRSA-N 0 0 401.466 4.731 50 0 HJAARN CCC[C@H](NC(=O)CNC(=O)c1ccccc1Cl)c1cccc(C(F)(F)F)c1 ZINC000058294708 558917137 /nfs/dbraw/zinc/91/71/37/558917137.db2.gz VQIUOYVGMKGLFF-KRWDZBQOSA-N 0 0 412.839 4.746 50 0 HJAARN CC[C@@H](C(=O)Nc1cccc(C)c1)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251146 558919716 /nfs/dbraw/zinc/91/97/16/558919716.db2.gz BXWKPAGTZWHWGZ-KRWDZBQOSA-N 0 0 417.431 4.930 50 0 HJAARN CCOc1ccc(C(=O)c2sc(Nc3cccc(Br)c3)nc2N)cc1 ZINC000033251736 558919921 /nfs/dbraw/zinc/91/99/21/558919921.db2.gz LEXUMGJNFRGJDL-UHFFFAOYSA-N 0 0 418.316 4.861 50 0 HJAARN CC(C)c1ccccc1-n1ccnc1SCC(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000058357871 558921629 /nfs/dbraw/zinc/92/16/29/558921629.db2.gz YOJVAOBPXTWFRT-UHFFFAOYSA-N 0 0 423.513 4.995 50 0 HJAARN CC(C)NC(=O)Nc1cccc(-c2noc(-c3ccccc3Br)n2)c1 ZINC000033257461 558924440 /nfs/dbraw/zinc/92/44/40/558924440.db2.gz KUAFCMPRJJGWKT-UHFFFAOYSA-N 0 0 401.264 4.696 50 0 HJAARN Cc1nc(-c2ccc(-n3cc(C(=O)Nc4cc(Cl)ccc4C)c(C)n3)cc2)no1 ZINC000033258461 558925130 /nfs/dbraw/zinc/92/51/30/558925130.db2.gz AGEDJBGVLZVMES-UHFFFAOYSA-N 0 0 407.861 4.753 50 0 HJAARN Cc1c(C(=O)N[C@@H](c2nc(-c3ccccc3)no2)C(C)C)oc2c1C(=O)CC(C)(C)C2 ZINC000058417908 558925416 /nfs/dbraw/zinc/92/54/16/558925416.db2.gz NMZCNNAITKDDLG-LJQANCHMSA-N 0 0 421.497 4.920 50 0 HJAARN COc1ccccc1NC(=O)Nc1ccc(Nc2nc(C)cc(N3CCCC3)n2)cc1 ZINC000072117426 558927327 /nfs/dbraw/zinc/92/73/27/558927327.db2.gz HYJNTIUCNITKSC-UHFFFAOYSA-N 0 0 418.501 4.781 50 0 HJAARN O=C(C[C@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccccc1Cl ZINC000072193871 558931025 /nfs/dbraw/zinc/93/10/25/558931025.db2.gz XBUQAVFKFHAQPA-RUZDIDTESA-N 0 0 419.908 4.780 50 0 HJAARN COc1ccc(-c2ccc(SCc3nc(-c4ccc(F)cc4)no3)nn2)cc1OC ZINC000033262522 558931412 /nfs/dbraw/zinc/93/14/12/558931412.db2.gz OWEWYRTTXRNWPP-UHFFFAOYSA-N 0 0 424.457 4.642 50 0 HJAARN O=C(Nc1nccs1)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 ZINC000072400547 558934898 /nfs/dbraw/zinc/93/48/98/558934898.db2.gz XZUGJAFDARSBSV-IBGZPJMESA-N 0 0 409.555 4.967 50 0 HJAARN COc1cc(NC2=NC(=O)SC2=Cc2cccc3cccnc23)cc(OC)c1OC ZINC000072400762 558934902 /nfs/dbraw/zinc/93/49/02/558934902.db2.gz KABSGDUCHUNQTF-ZDLGFXPLSA-N 0 0 421.478 4.979 50 0 HJAARN COc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000072401575 558936213 /nfs/dbraw/zinc/93/62/13/558936213.db2.gz BWEAJYXNQLOKTL-UHFFFAOYSA-N 0 0 412.449 4.516 50 0 HJAARN Cc1ccc(Cn2c(CCNC(=O)Nc3cccc(C)c3C)nc3cccnc32)cc1 ZINC000033263717 558942933 /nfs/dbraw/zinc/94/29/33/558942933.db2.gz SSENGGULMXXTAX-UHFFFAOYSA-N 0 0 413.525 4.769 50 0 HJAARN CCCCc1nc(Cl)c(C=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000001552042 558945606 /nfs/dbraw/zinc/94/56/06/558945606.db2.gz FQZSMTSTFMNWQF-UHFFFAOYSA-N 0 0 420.904 4.587 50 0 endogenous,world HJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000019617601 558946841 /nfs/dbraw/zinc/94/68/41/558946841.db2.gz KTZMHFCNJGSOGA-UHFFFAOYSA-N 0 0 409.917 4.764 50 0 HJAARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@H](c2cc(C)ccc2C)CC(=O)N3)cc1 ZINC000021784303 558949553 /nfs/dbraw/zinc/94/95/53/558949553.db2.gz ABSNKWNAEYVZRD-SFHVURJKSA-N 0 0 405.523 4.874 50 0 HJAARN CC(C)Oc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4)[nH]c(=O)c32)cc1 ZINC000021784707 558949593 /nfs/dbraw/zinc/94/95/93/558949593.db2.gz UUJDGCYBQXVCLV-SFHVURJKSA-N 0 0 421.522 4.736 50 0 HJAARN Cc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccc(F)cc4)[nH]c(=O)c32)c(C)c1 ZINC000021784266 558949675 /nfs/dbraw/zinc/94/96/75/558949675.db2.gz HPZPKSUGBJSMGL-KRWDZBQOSA-N 0 0 409.486 4.705 50 0 HJAARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@@H](c2cc(F)ccc2F)CC(=O)N3)cc1 ZINC000021784980 558949855 /nfs/dbraw/zinc/94/98/55/558949855.db2.gz ZBZJFCHLEYVMHP-OAHLLOKOSA-N 0 0 413.449 4.535 50 0 HJAARN CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCCOc1ccccc1OC ZINC000021787009 558950341 /nfs/dbraw/zinc/95/03/41/558950341.db2.gz GXKOKRZWGXHGTM-OAQYLSRUSA-N 0 0 421.541 4.978 50 0 HJAARN Cc1ccc(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCC2)cc1C ZINC000021810548 558953230 /nfs/dbraw/zinc/95/32/30/558953230.db2.gz QMCCVRCJSASWOP-VWLOTQADSA-N 0 0 419.525 4.719 50 0 HJAARN CCc1ccc(N2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000021810506 558953335 /nfs/dbraw/zinc/95/33/35/558953335.db2.gz BKRMQBPPGHPKEC-RUZDIDTESA-N 0 0 419.525 4.665 50 0 HJAARN O=C(c1sc2ncccc2c1-n1cccc1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000033059806 558953966 /nfs/dbraw/zinc/95/39/66/558953966.db2.gz LUGUDYVHNFGVNP-UHFFFAOYSA-N 0 0 422.941 4.703 50 0 HJAARN CCc1ccc2[nH]c(CSCC(=O)Nc3ccc(C)c(Cl)c3)cc(=O)c2c1 ZINC000033064301 558957198 /nfs/dbraw/zinc/95/71/98/558957198.db2.gz KNPPNPAXXJPWGA-UHFFFAOYSA-N 0 0 400.931 4.924 50 0 HJAARN COc1ccc(C(=O)Nc2ccc(C3(C(=O)NCC4CCCCC4)CC3)cc2)cc1 ZINC000064526617 558963806 /nfs/dbraw/zinc/96/38/06/558963806.db2.gz CFQFYPLTYHHDCY-UHFFFAOYSA-N 0 0 406.526 4.676 50 0 HJAARN Cc1cccc(N2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NC2CCCC2)c1C ZINC000064662042 558964916 /nfs/dbraw/zinc/96/49/16/558964916.db2.gz ZRQGMUWPPMMGNE-XMMPIXPASA-N 0 0 421.566 4.798 50 0 HJAARN COc1ccc(OC)c(S(=O)(=O)N2CCCCC[C@H]2c2ccc(Cl)cc2)c1 ZINC000064984077 558968396 /nfs/dbraw/zinc/96/83/96/558968396.db2.gz FSCYVNRJXAMIBK-SFHVURJKSA-N 0 0 409.935 4.663 50 0 HJAARN O=S(=O)(NCc1ccc(F)cc1)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004773 558969416 /nfs/dbraw/zinc/96/94/16/558969416.db2.gz AZUPMVBUGCTBTE-UHFFFAOYSA-N 0 0 406.504 4.678 50 0 HJAARN O=C(Nc1nn(-c2cccc(F)c2)c2cccc(Oc3cccnc3)c12)c1cocn1 ZINC000072417851 558978125 /nfs/dbraw/zinc/97/81/25/558978125.db2.gz RVXWZELROMJDET-UHFFFAOYSA-N 0 0 415.384 4.592 50 0 HJAARN CC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)Nc3cc(F)ccc3F)c2)C1 ZINC000033264302 558984224 /nfs/dbraw/zinc/98/42/24/558984224.db2.gz AJGTUHKXXXQOCJ-KRWDZBQOSA-N 0 0 401.457 4.515 50 0 HJAARN CCNC(=O)N1CCC[C@@H](c2cccc(C(=O)N[C@@H](C)c3ccc(C)cc3C)c2)C1 ZINC000033264187 558984687 /nfs/dbraw/zinc/98/46/87/558984687.db2.gz FWAHCBSRCHMKKH-SIKLNZKXSA-N 0 0 407.558 4.703 50 0 HJAARN COc1ccc2nc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)sc2c1 ZINC000022024716 558985062 /nfs/dbraw/zinc/98/50/62/558985062.db2.gz CWOQNXNIWPHPRU-UHFFFAOYSA-N 0 0 409.492 4.871 50 0 HJAARN O=C(NCc1cccnc1)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000013955754 558985993 /nfs/dbraw/zinc/98/59/93/558985993.db2.gz BJIXCSBMOCOXPS-UHFFFAOYSA-N 0 0 418.294 4.989 50 0 HJAARN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)c1 ZINC000022065548 558986363 /nfs/dbraw/zinc/98/63/63/558986363.db2.gz RNGJJMGCGGIKJR-UHFFFAOYSA-N 0 0 422.510 4.596 50 0 HJAARN OCCCN1CCOc2c(O)cc(-c3cccc4c3Oc3ccccc3S4)cc2C1 ZINC000067714261 558991825 /nfs/dbraw/zinc/99/18/25/558991825.db2.gz DHINJOQAJFCDEJ-UHFFFAOYSA-N 0 0 421.518 4.893 50 0 HJAARN CC(C)(C)[C@@H]1CC(c2ccc(Br)cc2)=NN1S(=O)(=O)c1ccccc1 ZINC000097105784 558993959 /nfs/dbraw/zinc/99/39/59/558993959.db2.gz NWLXELXEPOIXHI-SFHVURJKSA-N 0 0 421.360 4.663 50 0 HJAARN O=C(Nc1cccc(Cl)c1)N1CC[C@@H](n2c(-c3ccco3)nc3cccnc32)C1 ZINC000097112876 558995049 /nfs/dbraw/zinc/99/50/49/558995049.db2.gz QWKVIVLKUILZNF-MRXNPFEDSA-N 0 0 407.861 4.824 50 0 HJAARN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H](Cc1ccccc1)c1ccccc1 ZINC000097117427 558996105 /nfs/dbraw/zinc/99/61/05/558996105.db2.gz OESZVJCUTJOTOW-VXKWHMMOSA-N 0 0 408.542 4.529 50 0 HJAARN Cc1nc(-c2ccccc2)sc1C(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC000022480156 558996748 /nfs/dbraw/zinc/99/67/48/558996748.db2.gz KYVZRHMHRLDJRV-UHFFFAOYSA-N 0 0 406.429 4.946 50 0 HJAARN COc1ccccc1NC(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 ZINC000022503212 558997640 /nfs/dbraw/zinc/99/76/40/558997640.db2.gz UNTNUOSXBJLKMU-UHFFFAOYSA-N 0 0 401.466 4.932 50 0 HJAARN COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc43)C2=O)cc1 ZINC000096905112 558998886 /nfs/dbraw/zinc/99/88/86/558998886.db2.gz IKGDUKFGPCBVRT-DEDYPNTBSA-N 0 0 418.474 4.523 50 0 HJAARN Cc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCN(c4ccccc4O)CC3)c2c1 ZINC000023078882 558999429 /nfs/dbraw/zinc/99/94/29/558999429.db2.gz DWRCYMIUBOZBTC-UHFFFAOYSA-N 0 0 423.516 4.878 50 0 HJAARN C[C@H](Sc1n[nH]c(C=Cc2ccc(F)cc2)n1)C(=O)Nc1ccc(F)c(F)c1F ZINC000096942189 559015029 /nfs/dbraw/zinc/01/50/29/559015029.db2.gz OMMCMRRSKBUPEY-FWAPLPHYSA-N 0 0 422.407 4.651 50 0 HJAARN O=c1c2scc(-c3cccc(Cl)c3)c2ncn1CCOc1ccc(F)cc1 ZINC000023126802 559015609 /nfs/dbraw/zinc/01/56/09/559015609.db2.gz IXJJAMYAIXTSER-UHFFFAOYSA-N 0 0 400.862 4.997 50 0 HJAARN Cc1ccccc1NC(=O)CSc1nc2cc(-c3ccccc3)sc2c(=O)n1C ZINC000023127015 559015777 /nfs/dbraw/zinc/01/57/77/559015777.db2.gz AIZFAGQNRZDSPC-UHFFFAOYSA-N 0 0 421.547 4.701 50 0 HJAARN O=C(Nc1cccs1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)cs2)CC1 ZINC000022606158 559016739 /nfs/dbraw/zinc/01/67/39/559016739.db2.gz BAUDRHDGLNYJII-UHFFFAOYSA-N 0 0 418.975 4.875 50 0 HJAARN Nc1nc(CSc2nccc(C(F)(F)F)n2)nc2sc3c(c21)CCCCC3 ZINC000022614619 559017011 /nfs/dbraw/zinc/01/70/11/559017011.db2.gz UXBWVMCHQCIADJ-UHFFFAOYSA-N 0 0 411.478 4.644 50 0 HJAARN O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 ZINC000023140219 559020165 /nfs/dbraw/zinc/02/01/65/559020165.db2.gz ATOKPCLJNLTRTG-CYBMUJFWSA-N 0 0 407.417 4.837 50 0 HJAARN Cc1ccc(NC(=O)c2nc3ccccc3n(Cc3ccccc3)c2=O)cc1Cl ZINC000033269618 559032428 /nfs/dbraw/zinc/03/24/28/559032428.db2.gz FTONHOBJDZSGID-UHFFFAOYSA-N 0 0 403.869 4.659 50 0 HJAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(C)cc3)sc2c1 ZINC000033271553 559033032 /nfs/dbraw/zinc/03/30/32/559033032.db2.gz 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ZINC000033278864 559042268 /nfs/dbraw/zinc/04/22/68/559042268.db2.gz SRGGJPNBKMLYOA-UHFFFAOYSA-N 0 0 401.422 4.673 50 0 HJAARN Cc1cccc(Sc2nccnc2SCC(=O)NCc2cc(F)cc(F)c2)c1 ZINC000033289071 559044454 /nfs/dbraw/zinc/04/44/54/559044454.db2.gz PDFFQZZEERKRIU-UHFFFAOYSA-N 0 0 417.506 4.623 50 0 HJAARN Cc1coc2c1cc1c(C)c(CCC(=O)NCc3ccc(F)cc3)c(=O)oc1c2C ZINC000004743823 559046288 /nfs/dbraw/zinc/04/62/88/559046288.db2.gz VXWPEAVNSONOTP-UHFFFAOYSA-N 0 0 407.441 4.853 50 0 HJAARN Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCc3ccc(Cl)cc3)c(C)c21 ZINC000004744321 559046328 /nfs/dbraw/zinc/04/63/28/559046328.db2.gz FGSGZXAZMLATIN-UHFFFAOYSA-N 0 0 409.869 4.977 50 0 HJAARN Cc1oc2c(cc3c(C)c(CC(=O)NCCc4ccccc4)c(=O)oc3c2C)c1C ZINC000004744049 559046334 /nfs/dbraw/zinc/04/63/34/559046334.db2.gz QLEGTXSPJNUUAP-UHFFFAOYSA-N 0 0 403.478 4.674 50 0 HJAARN CC(=O)N1N=C(c2cccc(Br)c2)O[C@@]1(C)C12CC3CC(CC(C3)C1)C2 ZINC000004745593 559046523 /nfs/dbraw/zinc/04/65/23/559046523.db2.gz GGNYMGCTNMWANX-CQLMTFPYSA-N 0 0 417.347 4.922 50 0 HJAARN Cc1nc(-c2cc(S(=O)(=O)N3CCc4ccccc4C3)c(C)s2)sc1C ZINC000033290055 559047089 /nfs/dbraw/zinc/04/70/89/559047089.db2.gz XMQNRPKWSGJEIZ-UHFFFAOYSA-N 0 0 404.582 4.544 50 0 HJAARN CC1CCN(c2nccnc2Oc2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000033296743 559047387 /nfs/dbraw/zinc/04/73/87/559047387.db2.gz AUYDKSYJNBTOIK-UHFFFAOYSA-N 0 0 406.461 4.897 50 0 HJAARN CCn1nc(C)c2ccnc(N3CCC(C(=O)Nc4ccc(C)c(Cl)c4)CC3)c21 ZINC000033299097 559048399 /nfs/dbraw/zinc/04/83/99/559048399.db2.gz KVVQIWCFJBAYCP-UHFFFAOYSA-N 0 0 411.937 4.577 50 0 HJAARN Cc1sc(C)c(S(=O)(=O)Nc2ccccc2F)c1-c1cc(C(F)(F)F)on1 ZINC000033299336 559049283 /nfs/dbraw/zinc/04/92/83/559049283.db2.gz PLRSFTYHWIHRPB-UHFFFAOYSA-N 0 0 420.409 4.979 50 0 HJAARN CCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)CC(C)(C)C ZINC000004752851 559049351 /nfs/dbraw/zinc/04/93/51/559049351.db2.gz BHTRNRLCAXLNPO-UHFFFAOYSA-N 0 0 412.574 4.834 50 0 HJAARN COc1cccc(CSc2ncc(CO)n2Cc2cccc(C(F)(F)F)c2)c1 ZINC000004756182 559051494 /nfs/dbraw/zinc/05/14/94/559051494.db2.gz IXJNQNXFEHDRHF-UHFFFAOYSA-N 0 0 408.445 4.743 50 0 HJAARN CC(C)c1ccc(C(=O)NCCSc2ccc(C(=O)Nc3ccccc3)cn2)cc1 ZINC000033308507 559052750 /nfs/dbraw/zinc/05/27/50/559052750.db2.gz YEIQROOZOGFFLT-UHFFFAOYSA-N 0 0 419.550 4.979 50 0 HJAARN NC(=O)c1ccc(NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 ZINC000011328105 559053128 /nfs/dbraw/zinc/05/31/28/559053128.db2.gz LZCFWCCAPILYPJ-UHFFFAOYSA-N 0 0 411.461 4.679 50 0 HJAARN CC(C)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)CC(C)(C)C ZINC000004761243 559053424 /nfs/dbraw/zinc/05/34/24/559053424.db2.gz MLEVXZWQQUBUPE-UHFFFAOYSA-N 0 0 421.534 4.767 50 0 HJAARN COc1cc(-c2nc3cnccn3c2Nc2cccc(C(F)(F)F)c2)ccc1O ZINC000004763330 559053975 /nfs/dbraw/zinc/05/39/75/559053975.db2.gz FPXAJYMNNUYVSV-UHFFFAOYSA-N 0 0 400.360 4.873 50 0 HJAARN O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000004766897 559055213 /nfs/dbraw/zinc/05/52/13/559055213.db2.gz SUDFQLSLJUGRCZ-UHFFFAOYSA-N 0 0 402.705 4.984 50 0 HJAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc3c(s2)CCCCC3)c1C ZINC000004767967 559055374 /nfs/dbraw/zinc/05/53/74/559055374.db2.gz BTSMNIBFHVUYMN-CQSZACIVSA-N 0 0 417.527 4.567 50 0 HJAARN Cc1nc(Nc2ccc(NC(=O)Nc3ccccc3F)cc2)cc(N2CCCC2)n1 ZINC000033318569 559056008 /nfs/dbraw/zinc/05/60/08/559056008.db2.gz RDSHNUKIGGVPCM-UHFFFAOYSA-N 0 0 406.465 4.912 50 0 HJAARN CCCN(C)C(=O)Cn1c(Cc2ccc(F)cc2)nc2cc(Cl)c(Cl)cc21 ZINC000085407283 559056715 /nfs/dbraw/zinc/05/67/15/559056715.db2.gz YFRLRFLWMSOZFR-UHFFFAOYSA-N 0 0 408.304 4.941 50 0 HJAARN Cc1ccc(NC(=O)CSc2nnc3c4ccccc4nc(-c4ccco4)n23)cc1 ZINC000033328906 559061151 /nfs/dbraw/zinc/06/11/51/559061151.db2.gz HOJLZTPGOHTNGD-UHFFFAOYSA-N 0 0 415.478 4.577 50 0 HJAARN CCn1c(COc2ccccc2Cl)nnc1SCC(=O)c1ccc(OC)cc1 ZINC000004784029 559062925 /nfs/dbraw/zinc/06/29/25/559062925.db2.gz RGSGPIWRCRPBIR-UHFFFAOYSA-N 0 0 417.918 4.514 50 0 HJAARN O=C(COc1ccc(Cl)cc1)n1nc(-c2ccco2)nc1NCc1cccs1 ZINC000004783730 559063034 /nfs/dbraw/zinc/06/30/34/559063034.db2.gz 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ZINC000095067964 559079340 /nfs/dbraw/zinc/07/93/40/559079340.db2.gz VJNRZQUFKANHLJ-UHFFFAOYSA-N 0 0 416.165 4.547 50 0 HJAARN c1ccc(-c2noc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000095482983 559081345 /nfs/dbraw/zinc/08/13/45/559081345.db2.gz SKWVFSCLLXIEEJ-UHFFFAOYSA-N 0 0 410.521 4.644 50 0 HJAARN Cc1ccc2c(C)nc(S[C@@H]3CC(=O)N(c4cccc5ccccc54)C3=O)nc2c1 ZINC000095532309 559087233 /nfs/dbraw/zinc/08/72/33/559087233.db2.gz HBYQIRCVSHPTPS-OAQYLSRUSA-N 0 0 413.502 4.824 50 0 HJAARN O=C(NCc1ccco1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023305992 559108815 /nfs/dbraw/zinc/10/88/15/559108815.db2.gz CYPXLYWFRJVPNM-QFIPXVFZSA-N 0 0 409.917 4.550 50 0 HJAARN COc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)n3ncnc3N2C(=O)CC(C)C)cc1 ZINC000004816629 559112960 /nfs/dbraw/zinc/11/29/60/559112960.db2.gz DCDZGOLVCLLEFF-RTWAWAEBSA-N 0 0 408.477 4.539 50 0 HJAARN COc1ccc([C@@H]2C[C@@H](c3ccc(C)cc3)N(C(=O)CC(C)C)c3ncnn32)cc1 ZINC000004816771 559113527 /nfs/dbraw/zinc/11/35/27/559113527.db2.gz UBRWMZYVDYHFOL-VXKWHMMOSA-N 0 0 404.514 4.709 50 0 HJAARN Cc1ccc(Nc2oc3c(c2-c2cccc(Cl)c2)c(=O)n(C)c(=O)n3C)c(C)c1 ZINC000011614584 559114117 /nfs/dbraw/zinc/11/41/17/559114117.db2.gz CNMNFHUIBBTZKN-UHFFFAOYSA-N 0 0 409.873 4.511 50 0 HJAARN Cc1cc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@@H]2c2ccccc2F)no1 ZINC000011614355 559114329 /nfs/dbraw/zinc/11/43/29/559114329.db2.gz NBXFFSBKASBFFD-IBGZPJMESA-N 0 0 424.815 4.940 50 0 HJAARN COc1ccccc1[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2ccccc2)c2ncnn21 ZINC000004816909 559114958 /nfs/dbraw/zinc/11/49/58/559114958.db2.gz JOWJCHUXLVORPK-YADHBBJMSA-N 0 0 410.477 4.668 50 0 HJAARN Cc1cccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c1F ZINC000098072968 559126579 /nfs/dbraw/zinc/12/65/79/559126579.db2.gz JUTFSYPKSPKSES-UHFFFAOYSA-N 0 0 412.202 4.716 50 0 HJAARN COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccc(C)c(C)c3)n2)cc1F ZINC000098211472 559127384 /nfs/dbraw/zinc/12/73/84/559127384.db2.gz QFAGMDQZHIIKLK-UHFFFAOYSA-N 0 0 420.444 4.608 50 0 HJAARN CCOc1ccccc1C(=O)NC1CCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 ZINC000098212644 559127851 /nfs/dbraw/zinc/12/78/51/559127851.db2.gz LSIHQSMEIYWKJN-UHFFFAOYSA-N 0 0 424.932 4.528 50 0 HJAARN CC(C)(C)OC(=O)Nc1cccc(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000013987814 559130447 /nfs/dbraw/zinc/13/04/47/559130447.db2.gz IURFSKLTMJJIBB-UHFFFAOYSA-N 0 0 413.514 4.976 50 0 HJAARN CCOC(=O)c1cc([C@H](C)CC)n(-c2ccc(C(=O)NCc3cccc(C)c3)cc2)n1 ZINC000023322169 559133505 /nfs/dbraw/zinc/13/35/05/559133505.db2.gz HTAQNYRUEUOPAT-GOSISDBHSA-N 0 0 419.525 4.801 50 0 HJAARN O=C(Nc1ccc(Cl)cc1Cl)c1cccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000100583550 559136803 /nfs/dbraw/zinc/13/68/03/559136803.db2.gz PADIRUXHBCODMK-IYBDPMFKSA-N 0 0 415.276 4.701 50 0 HJAARN Cc1ccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000100606832 559136924 /nfs/dbraw/zinc/13/69/24/559136924.db2.gz KCHGDRJDKWKBQG-UFYCRDLUSA-N 0 0 424.909 4.761 50 0 HJAARN FC(F)Oc1ccc(C2=Nc3ncnn3[C@@H](c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000100716285 559138222 /nfs/dbraw/zinc/13/82/22/559138222.db2.gz NGLDOGPGMGLXRC-MRXNPFEDSA-N 0 0 408.330 4.954 50 0 HJAARN COc1cccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3C(C)C)c1 ZINC000100739099 559139086 /nfs/dbraw/zinc/13/90/86/559139086.db2.gz DZEYFWGLHPABMK-UYAOXDASSA-N 0 0 401.304 4.983 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)[C@@H]3CC(C)=CC[C@@H]3C2=O)c1 ZINC000100821904 559141154 /nfs/dbraw/zinc/14/11/54/559141154.db2.gz YEANPJRPCLWJOU-RBUKOAKNSA-N 0 0 408.885 4.746 50 0 HJAARN CCOc1cc(C[C@@H]2C(=O)Nc3c2cccc3C)cc(Br)c1OCC ZINC000101016075 559142710 /nfs/dbraw/zinc/14/27/10/559142710.db2.gz XBCKREMQHOEOCE-HNNXBMFYSA-N 0 0 404.304 4.833 50 0 HJAARN CCOc1c(C[C@H]2c3cc(Br)ccc3N(CC)C2=O)cccc1OC ZINC000101014912 559142753 /nfs/dbraw/zinc/14/27/53/559142753.db2.gz UBUHGCNLNBHIMG-INIZCTEOSA-N 0 0 404.304 4.549 50 0 HJAARN O=C(Nc1c(=O)oc2ccccc2c1NC1CCCC1)c1ccc(Br)o1 ZINC000101094819 559143291 /nfs/dbraw/zinc/14/32/91/559143291.db2.gz KTSCEVBEBCVEDZ-UHFFFAOYSA-N 0 0 417.259 4.755 50 0 HJAARN O=[S@]1CC[C@@H](Nc2nc(-c3ccccc3)nc3scc(-c4ccccc4)c32)C1 ZINC000078967931 559148110 /nfs/dbraw/zinc/14/81/10/559148110.db2.gz VHNKBVYBWIDNOH-JYRCXFKTSA-N 0 0 405.548 4.958 50 0 HJAARN O=c1c2c(n3c(S)nnc3n1-c1ccccc1)-c1ccccc1CC21CCCCC1 ZINC000004823004 559151530 /nfs/dbraw/zinc/15/15/30/559151530.db2.gz DSFHAXWLPIBNOF-UHFFFAOYSA-N 0 0 414.534 4.594 50 0 HJAARN Cc1nnc(-c2cc(CCC(C)C)n(-c3cccc(C(=O)N[C@H](C)C(C)C)c3)n2)o1 ZINC000023325569 559151734 /nfs/dbraw/zinc/15/17/34/559151734.db2.gz YPTOTUQYOGDWAB-MRXNPFEDSA-N 0 0 409.534 4.594 50 0 HJAARN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NCc3ncc(C(C)(C)C)o3)c12 ZINC000072309344 559162524 /nfs/dbraw/zinc/16/25/24/559162524.db2.gz YBNPUQBGJYZRBV-UHFFFAOYSA-N 0 0 409.534 4.588 50 0 HJAARN O=C(CSc1nncn1-c1ccccc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000004835263 559165481 /nfs/dbraw/zinc/16/54/81/559165481.db2.gz ASNWQPRCNXQKQN-UHFFFAOYSA-N 0 0 402.479 4.790 50 0 HJAARN Cc1ccc(-c2csc(=S)n2CC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000014484623 559166973 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CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccco3)c2)n(-c2ccccc2C)n1 ZINC000023455905 559176105 /nfs/dbraw/zinc/17/61/05/559176105.db2.gz PFYSJSIBGIAHRN-UHFFFAOYSA-N 0 0 415.449 4.870 50 0 HJAARN COc1cccc(N2CCN(c3nc(-c4ccccc4F)nc4ccccc43)CC2)c1 ZINC000023456157 559176117 /nfs/dbraw/zinc/17/61/17/559176117.db2.gz LYMISKLREOSKPT-UHFFFAOYSA-N 0 0 414.484 4.771 50 0 HJAARN O=C(NCCSc1ccccc1)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000023956744 559186434 /nfs/dbraw/zinc/18/64/34/559186434.db2.gz KQWIJZZITXWLFZ-FQEVSTJZSA-N 0 0 418.562 4.601 50 0 HJAARN CCOc1nc(-c2cccc(F)c2)n(-c2ccc(NC(=O)c3cccc(F)c3)cc2)n1 ZINC000035793663 559187857 /nfs/dbraw/zinc/18/78/57/559187857.db2.gz XRJFRYZOGQGDFE-UHFFFAOYSA-N 0 0 420.419 4.864 50 0 HJAARN O=S(=O)(c1[n-]c(-c2ccccc2)nc1SCc1ccccn1)c1ccccc1 ZINC000011694971 559188438 /nfs/dbraw/zinc/18/84/38/559188438.db2.gz TTWDLJFZUDUNRT-UHFFFAOYSA-N 0 0 407.520 4.597 50 0 HJAARN Cc1c(C)c(C)c(S(=O)(=O)Cc2noc(-c3ccccc3Cl)n2)c(C)c1C ZINC000060928818 559190650 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Cc1sc2c(c1C)c(=O)n(CCc1ccccc1)c(=O)n2Cc1cc(C)ccc1C ZINC000004882612 559197360 /nfs/dbraw/zinc/19/73/60/559197360.db2.gz AJXGSRGPEBTAQT-UHFFFAOYSA-N 0 0 418.562 4.749 50 0 HJAARN Cc1sc2c(c1C)c(=O)n(-c1ccccc1)c(=O)n2Cc1ccc(F)cc1Cl ZINC000004882558 559197405 /nfs/dbraw/zinc/19/74/05/559197405.db2.gz JAVDLAFKBREMLN-UHFFFAOYSA-N 0 0 414.889 4.672 50 0 HJAARN COc1cc(OC)cc(C2=NC3(CCCCC3)N(C(=O)c3ccccc3)C2=S)c1 ZINC000004891888 559198633 /nfs/dbraw/zinc/19/86/33/559198633.db2.gz RKKDDBCISBLHBS-UHFFFAOYSA-N 0 0 408.523 4.637 50 0 HJAARN CCOc1ccc(CN2C(=O)c3ccccc3[C@@H]2C(=O)NC2CCCCCC2)cc1 ZINC000004894421 559198813 /nfs/dbraw/zinc/19/88/13/559198813.db2.gz DCHFQMZOXYSFLJ-HSZRJFAPSA-N 0 0 406.526 4.621 50 0 HJAARN Cn1c2ccccc2c2c1c(=O)n(C1CCCC1)cc2C(=O)NCc1ccc(F)cc1 ZINC000004904363 559200299 /nfs/dbraw/zinc/20/02/99/559200299.db2.gz BHZIOYODVQVLOL-UHFFFAOYSA-N 0 0 417.484 4.677 50 0 HJAARN CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(F)cc2)[C@H]1c1c[nH]c2ccccc21 ZINC000004909539 559201475 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CCCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)C(C)C ZINC000004930358 559209231 /nfs/dbraw/zinc/20/92/31/559209231.db2.gz UAZPPEURMRKJPG-UHFFFAOYSA-N 0 0 412.574 4.834 50 0 HJAARN Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)N[C@@H](C)c1cccs1 ZINC000004935247 559210203 /nfs/dbraw/zinc/21/02/03/559210203.db2.gz MGJAXTCDGVLGRL-INIZCTEOSA-N 0 0 404.539 4.885 50 0 HJAARN COc1ccccc1-c1cc2nc(C)c(CCC(=O)Nc3ccc(F)cc3)c(C)n2n1 ZINC000004935703 559210533 /nfs/dbraw/zinc/21/05/33/559210533.db2.gz BLQKTTQZZWXBGN-UHFFFAOYSA-N 0 0 418.472 4.732 50 0 HJAARN COc1cccc(NC(=O)CCc2c(C)nc3c(-c4ccccc4)c(C)nn3c2C)c1 ZINC000004935753 559210687 /nfs/dbraw/zinc/21/06/87/559210687.db2.gz XRZQRCYYJBWOCD-UHFFFAOYSA-N 0 0 414.509 4.901 50 0 HJAARN COc1ccc2cc(S(=O)(=O)c3ccccc3)/c(=N/c3cccc(C)c3)oc2c1 ZINC000004937823 559211164 /nfs/dbraw/zinc/21/11/64/559211164.db2.gz VHZYOHQHGKYEMO-VHXPQNKSSA-N 0 0 405.475 4.815 50 0 HJAARN COc1cccc2cc(S(=O)(=O)c3ccccc3)/c(=N/c3ccc(C)cc3)oc21 ZINC000004937802 559211208 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Fc1ccccc1-c1nnc(SCc2cc3c(cc2Br)OCO3)o1 ZINC000004961206 559217514 /nfs/dbraw/zinc/21/75/14/559217514.db2.gz CQLFYLZRZXQTRS-UHFFFAOYSA-N 0 0 409.236 4.659 50 0 HJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc3c(s2)c2cc(C)ccc2nc3Cl)C1 ZINC000004961567 559217704 /nfs/dbraw/zinc/21/77/04/559217704.db2.gz XYLLYSZGLIEYGF-ZDUSSCGKSA-N 0 0 416.930 4.827 50 0 HJAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)CCc1nc2ccccc2s1 ZINC000004977701 559222230 /nfs/dbraw/zinc/22/22/30/559222230.db2.gz PDSZEIMSWWMNRV-JFIYKMOQSA-N 0 0 403.544 4.776 50 0 HJAARN C[C@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc32)o1)c1cccc(Cl)c1 ZINC000004997207 559226109 /nfs/dbraw/zinc/22/61/09/559226109.db2.gz FPZJAZFLROKPEC-LBPRGKRZSA-N 0 0 412.902 4.841 50 0 HJAARN CCOc1ccccc1OCC(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000005000416 559226425 /nfs/dbraw/zinc/22/64/25/559226425.db2.gz BSJTYVUNVVZQFH-UHFFFAOYSA-N 0 0 402.903 4.804 50 0 HJAARN O=C1Nc2ccc(Cl)cc2[C@@]12Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000005010021 559227847 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COc1cccc(-c2nc(CSCC(=O)NCc3ccc(Cl)cc3)c(C)o2)c1 ZINC000005056948 559237863 /nfs/dbraw/zinc/23/78/63/559237863.db2.gz SLCQJCNTIOOCAK-UHFFFAOYSA-N 0 0 416.930 4.862 50 0 HJAARN Cc1oc(-c2cccc(Cl)c2)nc1CSCC(=O)NCc1ccc(F)cc1 ZINC000005057598 559238054 /nfs/dbraw/zinc/23/80/54/559238054.db2.gz QTXPKGWEZOTJNR-UHFFFAOYSA-N 0 0 404.894 4.992 50 0 HJAARN CC(C)(C)c1ccc(C(=O)N(c2ccc(Cl)cc2)[C@H]2C=CS(=O)(=O)C2)cc1 ZINC000005070581 559241235 /nfs/dbraw/zinc/24/12/35/559241235.db2.gz HULCPZJLNPMHHJ-IBGZPJMESA-N 0 0 403.931 4.595 50 0 HJAARN CCOc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000033759366 559242487 /nfs/dbraw/zinc/24/24/87/559242487.db2.gz MRYHKWAYFWPRPG-IBGZPJMESA-N 0 0 408.458 4.513 50 0 HJAARN Cc1ccc(Cn2c(C(=O)NCC3CC3)cc3sc(Br)cc32)cc1 ZINC000037542371 559249695 /nfs/dbraw/zinc/24/96/95/559249695.db2.gz SIPOERQBDHBWMJ-UHFFFAOYSA-N 0 0 403.345 4.962 50 0 HJAARN CCC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)NCc2ccccc2)c1 ZINC000037601448 559255562 /nfs/dbraw/zinc/25/55/62/559255562.db2.gz HYINPWCQAXGQKC-UHFFFAOYSA-N 0 0 404.485 4.628 50 0 HJAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccccc1Br ZINC000011764494 559258753 /nfs/dbraw/zinc/25/87/53/559258753.db2.gz QVYSTPVSLNTAMC-UHFFFAOYSA-N 0 0 423.314 4.833 50 0 HJAARN CC(=O)N[C@H](CC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1)c1ccc(C)cc1 ZINC000011811935 559260257 /nfs/dbraw/zinc/26/02/57/559260257.db2.gz XBUBXKDBVKIERO-HXUWFJFHSA-N 0 0 418.522 4.806 50 0 HJAARN CC(C)CCn1c(SCC(=O)NCCC2=CCCCC2)nc2ccccc2c1=O ZINC000011828860 559260600 /nfs/dbraw/zinc/26/06/00/559260600.db2.gz HMBIKPGPFLRJCF-UHFFFAOYSA-N 0 0 413.587 4.541 50 0 HJAARN O=C(CCc1csc(NC(=O)c2cccs2)n1)Nc1nc2ccccc2s1 ZINC000011835231 559261071 /nfs/dbraw/zinc/26/10/71/559261071.db2.gz GPLKBHXRFNHCPT-UHFFFAOYSA-N 0 0 414.537 4.638 50 0 HJAARN O=C(CCc1ncc(-c2ccccc2Cl)o1)NCc1ccc(OC(F)F)cc1 ZINC000011837048 559261373 /nfs/dbraw/zinc/26/13/73/559261373.db2.gz IMYFDGQKXXZVCB-UHFFFAOYSA-N 0 0 406.816 4.845 50 0 HJAARN O=C(CS[C@H]1CCc2ccccc2NC1=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000011865817 559263892 /nfs/dbraw/zinc/26/38/92/559263892.db2.gz YJTPCVIUJVJCJM-INIZCTEOSA-N 0 0 410.417 4.860 50 0 HJAARN COc1cccc(-c2cn3c(C(=O)Nc4nc5ccccc5s4)csc3n2)c1 ZINC000011902287 559265710 /nfs/dbraw/zinc/26/57/10/559265710.db2.gz SCYNHMVXXABUAT-UHFFFAOYSA-N 0 0 406.492 4.933 50 0 HJAARN C[C@H](Sc1nc2c(c(=O)[nH]1)CCCC2)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000011903531 559265792 /nfs/dbraw/zinc/26/57/92/559265792.db2.gz NCHRPIARAOPEGS-HNNXBMFYSA-N 0 0 421.522 4.560 50 0 HJAARN CC(C)Oc1ccc(C(=O)Nc2nonc2-c2ccc(Br)cc2)cc1 ZINC000011917101 559267929 /nfs/dbraw/zinc/26/79/29/559267929.db2.gz UUPRTJBUZLCASK-UHFFFAOYSA-N 0 0 402.248 4.539 50 0 HJAARN N=c1c2c(ncn1CCCO)n(Cc1ccco1)c(-c1ccccc1)c2-c1ccccc1 ZINC000100802403 559268442 /nfs/dbraw/zinc/26/84/42/559268442.db2.gz VDGZCTYOSDPULF-UHFFFAOYSA-N 0 0 424.504 4.675 50 0 HJAARN CCn1nc(C)c(CN2CCOc3ccc([C@@H](O)CCc4ccccc4)cc3C2)c1C ZINC000011998024 559269902 /nfs/dbraw/zinc/26/99/02/559269902.db2.gz GKKWJGDZVVFWPS-VWLOTQADSA-N 0 0 419.569 4.581 50 0 HJAARN 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CC(C)c1ccccc1NC(=O)CSc1nc2cc(Br)cnc2[nH]1 ZINC000005248962 560549202 /nfs/dbraw/zinc/54/92/02/560549202.db2.gz ANGPMBHDUQRNIY-UHFFFAOYSA-N 0 0 405.321 4.575 50 0 HJAARN Cc1cc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc3ccccc32)no1 ZINC000005244830 560550123 /nfs/dbraw/zinc/55/01/23/560550123.db2.gz JHAWVUDXBZUHPY-QFIPXVFZSA-N 0 0 408.413 4.992 50 0 HJAARN CCOc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000005256228 560552536 /nfs/dbraw/zinc/55/25/36/560552536.db2.gz AUZDDTMFZKTWGU-QHCPKHFHSA-N 0 0 421.497 4.541 50 0 HJAARN Cc1cc(C(=O)CSc2nccn2-c2cccc(F)c2)c(C)n1C[C@@H]1CCCO1 ZINC000005264017 560553226 /nfs/dbraw/zinc/55/32/26/560553226.db2.gz XUPDKBMXIODYPY-IBGZPJMESA-N 0 0 413.518 4.584 50 0 HJAARN COc1ccc2sc(N(Cc3ccccn3)C(=O)c3ccc(C(C)=O)cc3)nc2c1 ZINC000005264986 560553418 /nfs/dbraw/zinc/55/34/18/560553418.db2.gz MHHROZZBUKUXRO-UHFFFAOYSA-N 0 0 417.490 4.750 50 0 HJAARN COc1cccc(-c2nc3c(c(SCC(=O)c4ccccc4)n2)COC(C)(C)C3)c1 ZINC000005266076 560553570 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O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008103497 560636143 /nfs/dbraw/zinc/63/61/43/560636143.db2.gz JRXMGOQVUHDIDP-CKDFRHGISA-N 0 0 420.534 4.877 50 0 HJAARN C[C@H](NC(=O)c1csc(-c2cccc(Cl)c2)n1)c1ccc(-n2cncn2)cc1 ZINC000062640065 560636767 /nfs/dbraw/zinc/63/67/67/560636767.db2.gz VGWCFIGGAWAUOJ-ZDUSSCGKSA-N 0 0 409.902 4.535 50 0 HJAARN COc1ccc(-c2csc(NC(=O)c3ccc(OC(F)(F)F)cc3)n2)cc1OC ZINC000008750785 560638218 /nfs/dbraw/zinc/63/82/18/560638218.db2.gz GXUCCDCVQLITPB-UHFFFAOYSA-N 0 0 424.400 4.978 50 0 HJAARN O=C(Cc1csc(SCc2cccc(Cl)c2)n1)Nc1ccc2c(c1)OCO2 ZINC000008938708 560640574 /nfs/dbraw/zinc/64/05/74/560640574.db2.gz OMXYPNJHTHJZSI-UHFFFAOYSA-N 0 0 418.927 4.999 50 0 HJAARN Cc1noc2c1-c1ccc(Cl)cc1C(c1ccc(Cl)cc1)=N[C@H]2CC(N)=O ZINC000200480054 560662260 /nfs/dbraw/zinc/66/22/60/560662260.db2.gz RKYPLOAYXFDLOF-INIZCTEOSA-N 0 0 400.265 4.724 50 0 in-vitro HJAARN CCCS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc21 ZINC000017286587 560705639 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CCn1c(S[C@@H](C)C(=O)Nc2nc(C)cs2)nnc1-c1ccc(Cl)cc1 ZINC000004814837 560736029 /nfs/dbraw/zinc/73/60/29/560736029.db2.gz LVLPWJYWGGKSMQ-NSHDSACASA-N 0 0 407.952 4.503 50 0 HJAARN COc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccc(C)c3)n2C(C)C)cc1 ZINC000008388827 560754544 /nfs/dbraw/zinc/75/45/44/560754544.db2.gz JTBCXSQQGVYMJB-MRXNPFEDSA-N 0 0 410.543 4.962 50 0 HJAARN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1ccc(Br)cc1F ZINC000097992387 560758735 /nfs/dbraw/zinc/75/87/35/560758735.db2.gz SGKFAICGAZKLMV-KPKJPENVSA-N 0 0 405.292 4.921 50 0 HJAARN COCCn1c2ccc(C)cc2sc1=NC(=O)C(c1ccccc1)c1ccccc1 ZINC000100872373 560760431 /nfs/dbraw/zinc/76/04/31/560760431.db2.gz FPQRYYMIDSOFRJ-QPLCGJKRSA-N 0 0 416.546 4.917 50 0 HJAARN Clc1cccc([C@@H]2CC(c3ccc(Br)cc3)=Nc3nnnn32)c1Cl ZINC000101070158 560770784 /nfs/dbraw/zinc/77/07/84/560770784.db2.gz DZGSUZIPSWMACY-AWEZNQCLSA-N 0 0 423.101 4.798 50 0 HJAARN COc1cc(NC(=O)C2c3ccccc3Oc3ccccc32)ccc1N1CCCC1=O ZINC000011257706 560771745 /nfs/dbraw/zinc/77/17/45/560771745.db2.gz OBKRTTPLYZITSB-UHFFFAOYSA-N 0 0 414.461 4.698 50 0 HJAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000011612760 560772706 /nfs/dbraw/zinc/77/27/06/560772706.db2.gz ZNQRGOUBIDHIQK-GOSISDBHSA-N 0 0 420.962 4.529 50 0 HJAARN CCOc1ccccc1[C@H]1SCC(=O)Nc2c1c(=O)[nH]n2C1CCCCCC1 ZINC000005673329 560774756 /nfs/dbraw/zinc/77/47/56/560774756.db2.gz NIJSTSVLIPVAQT-LJQANCHMSA-N 0 0 401.532 4.657 50 0 HJAARN COc1ccc(N2C(=O)c3cc(OC)ccc3C(=CNc3ccc(C)cc3)C2=O)cc1 ZINC000018098863 560775416 /nfs/dbraw/zinc/77/54/16/560775416.db2.gz FSLJOXHARKKSJC-HAHDFKILSA-N 0 0 414.461 4.652 50 0 HJAARN COc1ccc(C(=O)N(C)Cc2ccc(-c3ccc(Br)cc3)o2)c(O)c1 ZINC000018107090 560775792 /nfs/dbraw/zinc/77/57/92/560775792.db2.gz QWHCBIZFAXULQS-UHFFFAOYSA-N 0 0 416.271 4.696 50 0 HJAARN Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000018114342 560775956 /nfs/dbraw/zinc/77/59/56/560775956.db2.gz CVDGVBAVCVSWMQ-IYBDPMFKSA-N 0 0 406.313 4.535 50 0 HJAARN CC[C@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 ZINC000018153415 560780192 /nfs/dbraw/zinc/78/01/92/560780192.db2.gz QLMMNSJQXNKLBY-MRXNPFEDSA-N 0 0 405.464 4.627 50 0 HJAARN COc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)c2nc3ccccc3[nH]2)cc1OC ZINC000051105133 560780907 /nfs/dbraw/zinc/78/09/07/560780907.db2.gz UEWINEDVMXEBBS-STZFKDTASA-N 0 0 413.477 4.817 50 0 HJAARN CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CSc1ccc2ccccc2n1 ZINC000018186487 560781993 /nfs/dbraw/zinc/78/19/93/560781993.db2.gz PXKNYSHDWBEGSD-UHFFFAOYSA-N 0 0 424.551 4.877 50 0 HJAARN COc1ccccc1NC(=O)CNc1ccc(Br)c(C(F)(F)F)c1 ZINC000005689443 560784672 /nfs/dbraw/zinc/78/46/72/560784672.db2.gz LSJHYLILHBDUIA-UHFFFAOYSA-N 0 0 403.198 4.527 50 0 HJAARN O=C(Nc1cc(I)ccc1C(F)(F)F)c1ccccc1F ZINC000012843129 560788728 /nfs/dbraw/zinc/78/87/28/560788728.db2.gz NAPRMUUPTVKZQQ-UHFFFAOYSA-N 0 0 409.120 4.701 50 0 HJAARN COc1ccc(NC(=O)CNc2ccc(Br)c(C(F)(F)F)c2)cc1 ZINC000005699603 560790195 /nfs/dbraw/zinc/79/01/95/560790195.db2.gz CKWPGAZGQNJPBU-UHFFFAOYSA-N 0 0 403.198 4.527 50 0 HJAARN CC(=O)Nc1nc2n(n1)[C@H](c1ccccc1Cl)CC(c1ccc(Cl)cc1)=N2 ZINC000101553179 560797082 /nfs/dbraw/zinc/79/70/82/560797082.db2.gz PBFKVDBAURRCMK-KRWDZBQOSA-N 0 0 400.269 4.599 50 0 HJAARN COc1ccc(-c2nnc(SCC(=O)OC(C)C)n2-c2ccc(Cl)cc2)cc1 ZINC000005701626 560797804 /nfs/dbraw/zinc/79/78/04/560797804.db2.gz FSXAYPSOVDKREU-UHFFFAOYSA-N 0 0 417.918 4.640 50 0 HJAARN Cc1cccc(C)c1NCc1cc(=O)n2nc(-c3ccc(C(C)(C)C)cc3)nc2[nH]1 ZINC000101747845 560800141 /nfs/dbraw/zinc/80/01/41/560800141.db2.gz VYHXKUKTPSOJMH-UHFFFAOYSA-N 0 0 401.514 4.611 50 0 HJAARN Cc1cccc(C(=O)Nc2nc3n(n2)[C@H](c2ccccc2)CC(c2ccccc2)=N3)c1 ZINC000101835169 560803287 /nfs/dbraw/zinc/80/32/87/560803287.db2.gz SVLVPGLSVCENPS-QFIPXVFZSA-N 0 0 407.477 4.895 50 0 HJAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc3sccc3c2)cc1 ZINC000005708007 560804653 /nfs/dbraw/zinc/80/46/53/560804653.db2.gz ADLLDNISKXFOIR-UHFFFAOYSA-N 0 0 416.568 4.964 50 0 HJAARN O=C(CN1c2ccccc2N=C2CCC[C@@H]2C1=O)Nc1ccccc1C(F)(F)F ZINC000101947058 560805661 /nfs/dbraw/zinc/80/56/61/560805661.db2.gz XRPVEJIXTLPAFA-ZDUSSCGKSA-N 0 0 401.388 4.563 50 0 HJAARN C[C@H](Sc1n[nH]c(-c2ccccc2Br)n1)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000102547395 560814736 /nfs/dbraw/zinc/81/47/36/560814736.db2.gz JVQMYTVWBQRPME-XQQFMLRXSA-N 0 0 423.380 4.504 50 0 HJAARN CSc1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4O)CC3=Nc3ncnn32)cc1 ZINC000102597267 560817670 /nfs/dbraw/zinc/81/76/70/560817670.db2.gz AOIRXVZAKUNURP-SPLOXXLWSA-N 0 0 404.495 4.771 50 0 HJAARN Cc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000102726872 560821841 /nfs/dbraw/zinc/82/18/41/560821841.db2.gz KHHCYVQXMCAFRN-BHDDXSALSA-N 0 0 418.880 4.700 50 0 HJAARN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc(Cl)c4)[C@@H]3C2=O)cc1 ZINC000102731160 560822414 /nfs/dbraw/zinc/82/24/14/560822414.db2.gz WNDKNSZFOUQZQR-FDFHNCONSA-N 0 0 418.880 4.700 50 0 HJAARN CCCC[C@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000102736297 560822911 /nfs/dbraw/zinc/82/29/11/560822911.db2.gz XMMKDNVRLXROGB-JJCGOBCMSA-N 0 0 410.489 4.721 50 0 HJAARN Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4Cl)[C@@H]3C2=O)c1 ZINC000102736306 560822989 /nfs/dbraw/zinc/82/29/89/560822989.db2.gz GLTQFBFWISJYOZ-FDFHNCONSA-N 0 0 418.880 4.700 50 0 HJAARN COc1cccc([C@@H]2Nc3nonc3N=C3C[C@@H](c4cccs4)CC(=O)C32)c1OC ZINC000102740696 560823589 /nfs/dbraw/zinc/82/35/89/560823589.db2.gz LKOILKYLAUZILG-ZMZPIMSZSA-N 0 0 424.482 4.777 50 0 HJAARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3ccc(OC)cc3)C2)cc1 ZINC000102751378 560825645 /nfs/dbraw/zinc/82/56/45/560825645.db2.gz QHGRGAQCABWDTJ-VFNWGFHPSA-N 0 0 418.453 4.716 50 0 HJAARN CCn1c(SCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1cccc(F)c1 ZINC000013956262 560830847 /nfs/dbraw/zinc/83/08/47/560830847.db2.gz OXBKGGUGXIJPJE-UHFFFAOYSA-N 0 0 408.861 4.627 50 0 HJAARN O=C(OCc1nc(-c2ccc(Br)cc2)no1)c1ccc(F)cc1Cl ZINC000051315147 560855762 /nfs/dbraw/zinc/85/57/62/560855762.db2.gz BUXKHVFBGAELFB-UHFFFAOYSA-N 0 0 411.614 4.649 50 0 HJAARN Cc1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)c1C ZINC000004491407 560859532 /nfs/dbraw/zinc/85/95/32/560859532.db2.gz BENFQBYHPQHWGR-NRFANRHFSA-N 0 0 407.514 4.859 50 0 HJAARN O=C(/C=C/c1cccc2cccnc12)OCC(=O)Nc1ccccc1SC(F)F ZINC000014855257 560871505 /nfs/dbraw/zinc/87/15/05/560871505.db2.gz LIBKZYZSSUUXCE-ZHACJKMWSA-N 0 0 414.433 4.745 50 0 HJAARN CCOc1ccc(S(=O)(=O)Nc2cccc(-c3cn4cccc(C)c4n3)c2)cc1 ZINC000006485592 560872511 /nfs/dbraw/zinc/87/25/11/560872511.db2.gz GDGLVCPOGVQFKH-UHFFFAOYSA-N 0 0 407.495 4.509 50 0 HJAARN COc1ccc(Nc2ccc(-c3nc(-c4ccc(Cl)cc4)no3)nn2)cc1OC ZINC000046913653 560878847 /nfs/dbraw/zinc/87/88/47/560878847.db2.gz YEBLUXHVTKVYGO-UHFFFAOYSA-N 0 0 409.833 4.608 50 0 HJAARN NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000110572287 560880293 /nfs/dbraw/zinc/88/02/93/560880293.db2.gz KHMRTKOBQZNUBE-JQFCIGGWSA-N 0 0 412.946 4.635 50 0 HJAARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Br)cc1F ZINC000047157799 560882862 /nfs/dbraw/zinc/88/28/62/560882862.db2.gz ACPRQZALNZOFDD-UHFFFAOYSA-N 0 0 404.239 4.760 50 0 HJAARN COc1cccc(CSc2nnc(CN3CCCCC3)n2Cc2ccccc2)c1 ZINC000012135971 560889462 /nfs/dbraw/zinc/88/94/62/560889462.db2.gz IZVLISJYXPNVOB-UHFFFAOYSA-N 0 0 408.571 4.613 50 0 HJAARN O=C(NCc1cccs1)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1F)S2 ZINC000003587961 560890800 /nfs/dbraw/zinc/89/08/00/560890800.db2.gz VXZKCCBZYQJAGG-YBFXNURJSA-N 0 0 410.495 4.903 50 0 HJAARN Cc1nnc([C@H](NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)[nH]1 ZINC000111117491 560892712 /nfs/dbraw/zinc/89/27/12/560892712.db2.gz GORABBJIDJIIOE-OAHLLOKOSA-N 0 0 409.799 4.696 50 0 HJAARN CC(=O)Nc1cccc(NC(=O)c2cc(C(C)C)n(-c3nc4ccccc4s3)n2)c1 ZINC000012223575 560893753 /nfs/dbraw/zinc/89/37/53/560893753.db2.gz DTGYXSZQRUEOQJ-UHFFFAOYSA-N 0 0 419.510 4.816 50 0 HJAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2ccccc2F)cc1 ZINC000045941417 568422147 /nfs/dbraw/zinc/42/21/47/568422147.db2.gz MRBWLTBHSIQZEK-HSZRJFAPSA-N 0 0 419.452 4.896 50 0 HJAARN Cc1cccc(-c2noc(-c3ccccc3OCC(=O)N[C@H](C)c3ccccc3)n2)c1 ZINC000046012124 568423358 /nfs/dbraw/zinc/42/33/58/568423358.db2.gz ATLLCAKMSVJZGM-GOSISDBHSA-N 0 0 413.477 4.968 50 0 HJAARN CCOc1ccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2cccs2)cc1 ZINC000046022244 568424094 /nfs/dbraw/zinc/42/40/94/568424094.db2.gz PAVSMCIMSMQZLZ-UHFFFAOYSA-N 0 0 413.568 4.990 50 0 HJAARN O=C(CSC1=NC2(CCCCC2)N=C1c1cccs1)NCc1ccc(F)cc1 ZINC000046022210 568424122 /nfs/dbraw/zinc/42/41/22/568424122.db2.gz WPKIWWUKCIEYPM-UHFFFAOYSA-N 0 0 415.559 4.798 50 0 HJAARN Cc1ccc(CNc2c3c(nc4nc(Cc5ccc(Cl)cc5)nn42)CCC3)cc1 ZINC000046022894 568424319 /nfs/dbraw/zinc/42/43/19/568424319.db2.gz IEDDPQHWBGYWNP-UHFFFAOYSA-N 0 0 403.917 4.778 50 0 HJAARN Clc1ccc(Cc2nc3nc4c(c(NCc5cccs5)n3n2)CCCC4)cc1 ZINC000046022964 568424328 /nfs/dbraw/zinc/42/43/28/568424328.db2.gz LMOUWIGYRCCRHO-UHFFFAOYSA-N 0 0 409.946 4.921 50 0 HJAARN CCc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000046043910 568424886 /nfs/dbraw/zinc/42/48/86/568424886.db2.gz CHFWLXXALWMDFC-QGZVFWFLSA-N 0 0 404.432 4.759 50 0 HJAARN Cc1ccc2c(=O)c(C(=O)c3cccc(Cl)c3)cn(Cc3ccccc3F)c2n1 ZINC000046053748 568425464 /nfs/dbraw/zinc/42/54/64/568425464.db2.gz CNSPDSXHKBYQMV-UHFFFAOYSA-N 0 0 406.844 4.777 50 0 HJAARN Cc1ccc2c(=O)c(C(=O)c3ccc(F)cc3)cn(Cc3ccccc3Cl)c2n1 ZINC000046053822 568425608 /nfs/dbraw/zinc/42/56/08/568425608.db2.gz ULPZKYJPHOGDIF-UHFFFAOYSA-N 0 0 406.844 4.777 50 0 HJAARN CCOc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2cc(C)cc(C)c2)cc1 ZINC000046056600 568425870 /nfs/dbraw/zinc/42/58/70/568425870.db2.gz VKYDDDMKMAWARK-FQEVSTJZSA-N 0 0 403.482 4.505 50 0 HJAARN CCCOc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(CC)cc2)cc1 ZINC000046056643 568425912 /nfs/dbraw/zinc/42/59/12/568425912.db2.gz BFZWOXURACOFET-NRFANRHFSA-N 0 0 417.509 4.841 50 0 HJAARN CCOc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2)cc1 ZINC000046056606 568425952 /nfs/dbraw/zinc/42/59/52/568425952.db2.gz WWNNUTAITGOCOD-SFHVURJKSA-N 0 0 409.873 4.542 50 0 HJAARN CCS(=O)(=O)N(C)c1ccc2sc(C(=O)Nc3cccc(Cl)c3)cc2c1 ZINC000046058363 568426466 /nfs/dbraw/zinc/42/64/66/568426466.db2.gz WSZKXUYAGQAKPB-UHFFFAOYSA-N 0 0 408.932 4.593 50 0 HJAARN COc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)c(OC)c1 ZINC000046078467 568427494 /nfs/dbraw/zinc/42/74/94/568427494.db2.gz RCEFYESFDWAKFZ-UHFFFAOYSA-N 0 0 416.477 4.549 50 0 HJAARN Cc1cccc(CN2CCCN(c3ccc(C(=O)N4CCCC[C@@H]4C)cc3)C2=O)c1 ZINC000046079508 568427892 /nfs/dbraw/zinc/42/78/92/568427892.db2.gz WSWQEJQURLHZQO-FQEVSTJZSA-N 0 0 405.542 4.842 50 0 HJAARN Cc1ccc(-c2nnc(CCC(=O)N[C@H]3CCSc4ccc(Cl)cc43)o2)cc1 ZINC000048237564 568433083 /nfs/dbraw/zinc/43/30/83/568433083.db2.gz JODKSSKMRNPSKP-KRWDZBQOSA-N 0 0 413.930 4.984 50 0 HJAARN Cc1nc2ccccc2nc1COC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000048230750 568433473 /nfs/dbraw/zinc/43/34/73/568433473.db2.gz UFBBQKCZSGRWEO-UHFFFAOYSA-N 0 0 403.486 4.744 50 0 HJAARN CCCn1c2ccccc2nc1NC(=O)c1c(Br)c2ccccc2n1C ZINC000048253645 568434423 /nfs/dbraw/zinc/43/44/23/568434423.db2.gz AWEQLYMZFKAPDE-UHFFFAOYSA-N 0 0 411.303 4.953 50 0 HJAARN Cc1noc2nc(-c3ccccc3F)cc(C(=O)N(Cc3ccccn3)C3CC3)c12 ZINC000048286133 568436030 /nfs/dbraw/zinc/43/60/30/568436030.db2.gz JHQOANITDYYYMB-UHFFFAOYSA-N 0 0 402.429 4.537 50 0 HJAARN Cc1c(C(=O)N(Cc2ccncc2)C2CC2)sc2nc(-c3ccco3)nc(C)c12 ZINC000048308997 568436337 /nfs/dbraw/zinc/43/63/37/568436337.db2.gz IBGXEDJNQPFWLG-UHFFFAOYSA-N 0 0 404.495 4.768 50 0 HJAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2cc3cc(OC)cc(OC)c3[nH]2)cc1 ZINC000048299029 568437110 /nfs/dbraw/zinc/43/71/10/568437110.db2.gz MQUIJYBGAGIXDX-NRFANRHFSA-N 0 0 408.498 4.951 50 0 HJAARN COc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1OCCc1ccccc1 ZINC000048302048 568437586 /nfs/dbraw/zinc/43/75/86/568437586.db2.gz VUMDIYFLNJSSES-UHFFFAOYSA-N 0 0 413.477 4.755 50 0 HJAARN Cc1ccc2nc(COc3ccccc3C(=O)NCc3ccc(Cl)s3)cn2c1 ZINC000048302166 568437705 /nfs/dbraw/zinc/43/77/05/568437705.db2.gz RVUMGLCQBSOKFW-UHFFFAOYSA-N 0 0 411.914 4.867 50 0 HJAARN Cc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)c(Br)c1 ZINC000051364572 568438273 /nfs/dbraw/zinc/43/82/73/568438273.db2.gz LANJSGYDPUPHGZ-INIZCTEOSA-N 0 0 423.310 4.916 50 0 HJAARN C=C1c2ccccc2C(=O)N1CCC(=O)N(Cc1cccs1)Cc1cccs1 ZINC000048339866 568440116 /nfs/dbraw/zinc/44/01/16/568440116.db2.gz WKPLGULWSYFKRU-UHFFFAOYSA-N 0 0 408.548 4.855 50 0 HJAARN CCN(CC)c1ccc(NC(=O)N2CCC(C(=O)c3ccc(C)cc3C)CC2)cn1 ZINC000048343032 568440668 /nfs/dbraw/zinc/44/06/68/568440668.db2.gz BTLQAPSBLGIGRB-UHFFFAOYSA-N 0 0 408.546 4.671 50 0 HJAARN COc1ccc(Cl)cc1-n1nnc(-c2nc(-c3cc(C)ccc3C)cs2)c1N ZINC000049001857 568443858 /nfs/dbraw/zinc/44/38/58/568443858.db2.gz SQQGACQPCQDQSB-UHFFFAOYSA-N 0 0 411.918 4.919 50 0 HJAARN Cc1cc(C)cc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(C(C)C)c(=O)c32)c1 ZINC000048988160 568444045 /nfs/dbraw/zinc/44/40/45/568444045.db2.gz ODLZQSZZIHXQRK-UHFFFAOYSA-N 0 0 414.509 4.701 50 0 HJAARN CSc1cccc(Nc2c(C(=O)N3CCSCC3)cnc3nc(C)ccc32)c1 ZINC000049004939 568444254 /nfs/dbraw/zinc/44/42/54/568444254.db2.gz AXJMFJFBIFSPMY-UHFFFAOYSA-N 0 0 410.568 4.593 50 0 HJAARN CC(=O)Nc1ccc(Nc2c(C(=O)N3CCCC[C@@H]3C)cnc3nc(C)ccc32)cc1 ZINC000049005304 568444463 /nfs/dbraw/zinc/44/44/63/568444463.db2.gz UMXAWSRXCXQZGU-INIZCTEOSA-N 0 0 417.513 4.655 50 0 HJAARN O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2)c1ccc(F)cc1Cl ZINC000049030314 568445798 /nfs/dbraw/zinc/44/57/98/568445798.db2.gz PFDNPHUVSOPPHK-HNNXBMFYSA-N 0 0 402.853 4.509 50 0 HJAARN Cc1cc(CSc2ncccc2C(=O)NCc2cccc(COC(C)C)c2)no1 ZINC000049156328 568446955 /nfs/dbraw/zinc/44/69/55/568446955.db2.gz IEPQGJOGFKESMX-UHFFFAOYSA-N 0 0 411.527 4.525 50 0 HJAARN Cc1ccc(-c2noc(C3CCN(CC(=O)Nc4ccc(C)cc4Cl)CC3)n2)cc1 ZINC000049403310 568448195 /nfs/dbraw/zinc/44/81/95/568448195.db2.gz KOTLKXWNNZCAOM-UHFFFAOYSA-N 0 0 424.932 4.825 50 0 HJAARN O=C(Nc1ccccc1)c1cn(Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)cn1 ZINC000049422257 568450838 /nfs/dbraw/zinc/45/08/38/568450838.db2.gz JOVLKMCLUYVCTP-UHFFFAOYSA-N 0 0 414.440 4.575 50 0 HJAARN COc1ccc2sc(OC3CCN(C(=O)Nc4ccc(C)c(C)c4)CC3)nc2c1 ZINC000049443227 568451040 /nfs/dbraw/zinc/45/10/40/568451040.db2.gz CKNAKIYPCBWTLU-UHFFFAOYSA-N 0 0 411.527 4.997 50 0 HJAARN O=C(c1ccc(Cl)cc1-n1cccc1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000049551704 568452079 /nfs/dbraw/zinc/45/20/79/568452079.db2.gz XIOUPCGCHPHFLI-UHFFFAOYSA-N 0 0 415.320 4.908 50 0 HJAARN CCc1cccc2c(C(=O)[C@@H](c3ccccc3)N3CCC(C(=O)OC)CC3)c[nH]c21 ZINC000049560887 568452092 /nfs/dbraw/zinc/45/20/92/568452092.db2.gz FPCXIQTYGUXJNB-HSZRJFAPSA-N 0 0 404.510 4.539 50 0 HJAARN C[C@@H](Sc1n[nH]c(C=Cc2ccc(F)cc2)n1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000014898026 568453315 /nfs/dbraw/zinc/45/33/15/568453315.db2.gz QWNHZPDRDUQCDV-WEKMIXOTSA-N 0 0 408.502 4.722 50 0 HJAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COc2cccc(F)c2)cc1 ZINC000005752462 568454042 /nfs/dbraw/zinc/45/40/42/568454042.db2.gz KAXNUZPTAZJRGA-HSZRJFAPSA-N 0 0 404.441 4.591 50 0 HJAARN O=[N+]([O-])c1c(C=[NH+][N-]c2ccccc2)nn(-c2ccccc2)c1N1CCCCCC1 ZINC000245247209 568454305 /nfs/dbraw/zinc/45/43/05/568454305.db2.gz RQEXMHLFCZDIKZ-UHFFFAOYSA-N 0 0 404.474 4.607 50 0 HJAARN COc1cccc(C(=O)c2sc3nc(-c4ccc(OC)c(OC)c4)ccc3c2N)c1 ZINC000012250930 568456197 /nfs/dbraw/zinc/45/61/97/568456197.db2.gz KIRFOSWKXDHVPA-UHFFFAOYSA-N 0 0 420.490 4.802 50 0 HJAARN COc1cccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)c1 ZINC000000646134 568457319 /nfs/dbraw/zinc/45/73/19/568457319.db2.gz SWLDRMFQXKCVLJ-DEOSSOPVSA-N 0 0 403.478 4.500 50 0 HJAARN CCCNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2)cc1 ZINC000006752392 568458527 /nfs/dbraw/zinc/45/85/27/568458527.db2.gz BMWFWWPQNUQIPJ-UHFFFAOYSA-N 0 0 416.550 4.912 50 0 HJAARN COc1ccc2c(C[NH2+]C3CCCCC3)c(C(=O)[O-])n(Cc3ccc(F)cc3)c2c1 ZINC000006794640 568459322 /nfs/dbraw/zinc/45/93/22/568459322.db2.gz CTDAPMHBJCUVEJ-UHFFFAOYSA-N 0 0 410.489 4.958 50 0 HJAARN COc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000000659318 568459993 /nfs/dbraw/zinc/45/99/93/568459993.db2.gz FHEPEOIGVMQDEJ-HSZRJFAPSA-N 0 0 424.497 4.683 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)c1sc2nc(-c3ccncc3)ccc2c1N ZINC000000661151 568460131 /nfs/dbraw/zinc/46/01/31/568460131.db2.gz JNSBSJXJOQUPDX-UHFFFAOYSA-N 0 0 410.886 4.855 50 0 HJAARN C[C@H](OCCCNC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1 ZINC000024775602 568462417 /nfs/dbraw/zinc/46/24/17/568462417.db2.gz JYCADHZJOINEQF-IBGZPJMESA-N 0 0 402.494 4.837 50 0 HJAARN O=C(NCCc1ccco1)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000006916038 568463642 /nfs/dbraw/zinc/46/36/42/568463642.db2.gz JJYDLECWVHHWCX-UHFFFAOYSA-N 0 0 403.482 4.627 50 0 HJAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1CCc1ccccc1 ZINC000024805722 568465548 /nfs/dbraw/zinc/46/55/48/568465548.db2.gz SSHVBORXKZVPBZ-UHFFFAOYSA-N 0 0 400.522 4.799 50 0 HJAARN Cc1ccc(-c2ccc(SCc3ccc(C(=O)NCc4ccco4)o3)nn2)cc1 ZINC000000737843 568469982 /nfs/dbraw/zinc/46/99/82/568469982.db2.gz HHWNFTSMTXRBGJ-UHFFFAOYSA-N 0 0 405.479 4.860 50 0 HJAARN Cc1ccc(C(=O)N(CC(=O)N(Cc2ccco2)Cc2ccc(F)cc2)C2CC2)cc1 ZINC000000741717 568470490 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ZINC000033267879 568512369 /nfs/dbraw/zinc/51/23/69/568512369.db2.gz RQAGXNLEJHPNMK-FQEVSTJZSA-N 0 0 402.473 4.974 50 0 HJAARN Cc1cc(C)cc(NC(=O)N2CCN(c3ccc(-c4noc(C(C)C)n4)cc3)CC2)c1 ZINC000033258321 568512821 /nfs/dbraw/zinc/51/28/21/568512821.db2.gz DBIDUIDLSYQBCI-UHFFFAOYSA-N 0 0 419.529 4.831 50 0 HJAARN CCN1CCc2nc(NC(=O)c3cc(-c4ccco4)nc4ccccc43)sc2C1 ZINC000033421967 568514447 /nfs/dbraw/zinc/51/44/47/568514447.db2.gz GIJGDDUWZDMAIQ-UHFFFAOYSA-N 0 0 404.495 4.582 50 0 HJAARN O=S(=O)(N[C@H](c1ccsc1)c1cccs1)c1ccccc1Br ZINC000390826891 568591415 /nfs/dbraw/zinc/59/14/15/568591415.db2.gz QPJVQHZJWHYMLF-OAHLLOKOSA-N 0 0 414.371 4.640 50 0 HJAARN CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccc(C(=O)NCc3ccco3)cc21 ZINC000020179826 568593054 /nfs/dbraw/zinc/59/30/54/568593054.db2.gz BOWRFBODOJBGFP-JAIQZWGSSA-N 0 0 424.909 4.973 50 0 HJAARN Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccccc2)N2CCN(C)CC2)c1C ZINC000020192876 568593668 /nfs/dbraw/zinc/59/36/68/568593668.db2.gz SJWVXNOEGXRROR-NRFANRHFSA-N 0 0 409.555 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C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000040080429 568618220 /nfs/dbraw/zinc/61/82/20/568618220.db2.gz JWCYTQLEVPDTOW-INIZCTEOSA-N 0 0 424.566 4.674 50 0 HJAARN CCn1cnnc1[C@@H]1CCCN(C(=O)Nc2ccc(C)cc2OCc2ccccc2)C1 ZINC000095460894 568620485 /nfs/dbraw/zinc/62/04/85/568620485.db2.gz OYWYBNVFSZLALW-HXUWFJFHSA-N 0 0 419.529 4.597 50 0 HJAARN COC(=O)c1c(C)c(C)sc1NC(=O)CSCc1coc(-c2ccccc2)n1 ZINC000040140500 568620945 /nfs/dbraw/zinc/62/09/45/568620945.db2.gz FJBHZAPUSSVPJP-UHFFFAOYSA-N 0 0 416.524 4.678 50 0 HJAARN CCOc1ccccc1-c1cc(NC(=O)c2noc3c2COc2ccc(C)cc2-3)on1 ZINC000020510060 568621072 /nfs/dbraw/zinc/62/10/72/568621072.db2.gz KKNMYVNHZUOSRT-UHFFFAOYSA-N 0 0 417.421 4.848 50 0 HJAARN CC(C)Sc1ncccc1C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000040139194 568622410 /nfs/dbraw/zinc/62/24/10/568622410.db2.gz WRPDJUZJKBOJPU-UHFFFAOYSA-N 0 0 412.342 4.600 50 0 HJAARN Cc1ccccc1[C@H](O)CNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000095465230 568623139 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CC(C)(C)c1ncc(C(=O)Nc2ccc(-c3ccc(Br)s3)nn2)s1 ZINC000225474490 568641048 /nfs/dbraw/zinc/64/10/48/568641048.db2.gz HGUATNQQBZDNIT-UHFFFAOYSA-N 0 0 423.361 4.974 50 0 HJAARN COc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)Nc2cc(F)ccc2F)cc1 ZINC000020761308 568642253 /nfs/dbraw/zinc/64/22/53/568642253.db2.gz CUJMEKOAAJZAHZ-UHFFFAOYSA-N 0 0 412.436 4.982 50 0 HJAARN COc1ccc(NC(=O)CCn2c(C)c(C(C)=O)cc2-c2ccc(OC)cc2)cc1 ZINC000020761269 568642440 /nfs/dbraw/zinc/64/24/40/568642440.db2.gz IEQIPNLWMKPDNR-UHFFFAOYSA-N 0 0 406.482 4.712 50 0 HJAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cnc2sc3c(n2c1=O)CCCC3 ZINC000020767677 568643451 /nfs/dbraw/zinc/64/34/51/568643451.db2.gz LZFIWLLXDUQOQU-UHFFFAOYSA-N 0 0 417.490 4.679 50 0 HJAARN Cc1ccc(-c2csc3ncc(C(=O)Nc4ccc(Cl)cc4C)c(=O)n23)cc1 ZINC000020768091 568643501 /nfs/dbraw/zinc/64/35/01/568643501.db2.gz YKBUQOQKVHMROY-UHFFFAOYSA-N 0 0 409.898 4.946 50 0 HJAARN CN(C(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2)c1ccccc1Cl ZINC000020867128 568646631 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/nfs/dbraw/zinc/79/51/43/568795143.db2.gz AIIQKEGTJUNLLH-OAQYLSRUSA-N 0 0 418.493 4.512 50 0 HJAARN Cc1cccc(-n2nnnc2SCC(=O)N(C2CCCCC2)C2CCCCC2)c1 ZINC000002646683 568795353 /nfs/dbraw/zinc/79/53/53/568795353.db2.gz MOEKWZAVVXQVHT-UHFFFAOYSA-N 0 0 413.591 4.557 50 0 HJAARN CCCN(CC(=O)Nc1ccc(C(C)C)cc1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000002651733 568796520 /nfs/dbraw/zinc/79/65/20/568796520.db2.gz IREKNFPUXCFFSE-UHFFFAOYSA-N 0 0 421.463 4.517 50 0 HJAARN COC(=O)c1ccc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)o1 ZINC000002653978 568797380 /nfs/dbraw/zinc/79/73/80/568797380.db2.gz MYKFCYIEIRSIGW-UHFFFAOYSA-N 0 0 403.463 4.878 50 0 HJAARN CC(C)(C)c1ccc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2Cl)cc1 ZINC000002655422 568797714 /nfs/dbraw/zinc/79/77/14/568797714.db2.gz TXJMWGPKEVHHQL-UHFFFAOYSA-N 0 0 408.325 4.807 50 0 HJAARN COC[C@H](C)n1c(S[C@H](C)C(=O)c2cccc(Cl)c2)nc2ccccc2c1=O ZINC000002665002 568800125 /nfs/dbraw/zinc/80/01/25/568800125.db2.gz QRFPELOWMLTXQO-UONOGXRCSA-N 0 0 416.930 4.621 50 0 HJAARN Cc1cccn2c(=O)c3cc(C(=O)Nc4cc(Cl)ccc4Cl)sc3nc12 ZINC000002722969 568803330 /nfs/dbraw/zinc/80/33/30/568803330.db2.gz DTTKOOHKFCHRMT-UHFFFAOYSA-N 0 0 404.278 4.777 50 0 HJAARN Cc1cc(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)ccc1Br ZINC000002725240 568803713 /nfs/dbraw/zinc/80/37/13/568803713.db2.gz VVWOGOKLCQJSAB-UHFFFAOYSA-N 0 0 417.181 4.567 50 0 HJAARN COc1cccc(C(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@@H]2c2ccc(F)cc2)c1 ZINC000002724574 568803751 /nfs/dbraw/zinc/80/37/51/568803751.db2.gz BGEZQZRYLODUDA-QFIPXVFZSA-N 0 0 424.859 4.672 50 0 HJAARN C[C@H](NC(=O)CSC1=N[C@H](C(F)(F)F)C[C@H](c2ccccc2)N1)c1ccccc1 ZINC000002730244 568804169 /nfs/dbraw/zinc/80/41/69/568804169.db2.gz KLTKPYODGQZHHJ-QGTPRVQTSA-N 0 0 421.488 4.619 50 0 HJAARN Cc1ccccc1O[C@@H]1C(=O)N(Cc2ccc(Cl)cc2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000002740863 568806010 /nfs/dbraw/zinc/80/60/10/568806010.db2.gz SRBMJECEOPMKOG-PKTZIBPZSA-N 0 0 421.880 4.908 50 0 HJAARN Cc1sc2ncn3nc([C@H](C)n4nc(C(F)(F)F)cc4C4CC4)nc3c2c1C ZINC000002788924 568809176 /nfs/dbraw/zinc/80/91/76/568809176.db2.gz SRAUYVOUZKHZLI-VIFPVBQESA-N 0 0 406.437 4.658 50 0 HJAARN COc1ccc(NC(=O)N2CCc3[nH]c4c(cccc4Br)c3C2)cc1 ZINC000056516997 568809247 /nfs/dbraw/zinc/80/92/47/568809247.db2.gz VKLZDZKUERKFFE-UHFFFAOYSA-N 0 0 400.276 4.529 50 0 biogenic HJAARN CCOC(=O)c1sc2ncn3nc([C@@H]4C[C@@H]4c4ccc(Cl)cc4)nc3c2c1C ZINC000002791522 568809853 /nfs/dbraw/zinc/80/98/53/568809853.db2.gz RXVSFEPPDMBXRM-ZIAGYGMSSA-N 0 0 412.902 4.749 50 0 HJAARN O=C(CSc1nc2ccccc2c(=O)n1C1CC1)Nc1c(Cl)cccc1Cl ZINC000002800000 568810765 /nfs/dbraw/zinc/81/07/65/568810765.db2.gz HOSBUERQRVKFFR-UHFFFAOYSA-N 0 0 420.321 4.769 50 0 HJAARN CCn1nc(C)c(CN(C)C(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)c1C ZINC000002799787 568810805 /nfs/dbraw/zinc/81/08/05/568810805.db2.gz AHRKJHCBGKDMOH-UHFFFAOYSA-N 0 0 407.301 4.754 50 0 HJAARN COc1ccccc1NCC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000002887733 568814638 /nfs/dbraw/zinc/81/46/38/568814638.db2.gz KSIOZEUGMXTECN-UHFFFAOYSA-N 0 0 421.444 4.812 50 0 HJAARN COc1ccccc1NCC(=O)Nc1ncc(Cc2cccc3ccccc32)s1 ZINC000002887778 568814857 /nfs/dbraw/zinc/81/48/57/568814857.db2.gz KAWJEFIJZXBZRI-UHFFFAOYSA-N 0 0 403.507 4.946 50 0 HJAARN Fc1ccc(Br)cc1[C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2ncnn21 ZINC000002914753 568816299 /nfs/dbraw/zinc/81/62/99/568816299.db2.gz PDPQORMSNISQHG-CVEARBPZSA-N 0 0 407.674 4.979 50 0 HJAARN Cc1ccc2c(c1)C1=Nc3ncnn3[C@@H](c3ccccc3)C1[C@H](c1cccc(F)c1)O2 ZINC000002916817 568816388 /nfs/dbraw/zinc/81/63/88/568816388.db2.gz ADWXJAPAWCDCFI-ZEQRLZLVSA-N 0 0 410.452 4.938 50 0 HJAARN CC(=O)O/C(C)=C1\CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]12C ZINC000257347484 568817554 /nfs/dbraw/zinc/81/75/54/568817554.db2.gz IYHMGYUYUFEWDP-UIBLQJNNSA-N 0 0 416.558 4.977 50 0 HJAARN Cc1nc2cc(C(=O)NCc3ccco3)ccc2n1-c1ccc(Br)cc1 ZINC000002926323 568817596 /nfs/dbraw/zinc/81/75/96/568817596.db2.gz NZSKZOOMHBZEFL-UHFFFAOYSA-N 0 0 410.271 4.619 50 0 HJAARN CC(=O)O[C@H](C)[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257355767 568817885 /nfs/dbraw/zinc/81/78/85/568817885.db2.gz COXXOOWTEWCQRW-VKUGAEFOSA-N 0 0 420.590 4.644 50 0 HJAARN CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CC=C4CC5(CC[C@@]4(C)[C@@H]3CC[C@]21C)OCCO5 ZINC000257355618 568817908 /nfs/dbraw/zinc/81/79/08/568817908.db2.gz BSQMPBUBHHDZDS-QULIQSTESA-N 0 0 416.558 4.583 50 0 HJAARN CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)NCCCc2ccccc2)c1C ZINC000002929271 568818174 /nfs/dbraw/zinc/81/81/74/568818174.db2.gz ADTMSVPJBSURJF-UHFFFAOYSA-N 0 0 418.537 4.779 50 0 HJAARN CCc1ccc(NC(=O)[C@@H](CC)Sc2nc3ccsc3c(=O)n2C2CC2)cc1 ZINC000002932521 568818493 /nfs/dbraw/zinc/81/84/93/568818493.db2.gz QCVQCJQHBYBBLS-QGZVFWFLSA-N 0 0 413.568 4.865 50 0 HJAARN Cc1ccc(C)c(-c2csc(NC(=O)CSc3nnc(-c4ccco4)o3)n2)c1 ZINC000005813920 568818587 /nfs/dbraw/zinc/81/85/87/568818587.db2.gz MQVCVLCGFBSYAV-UHFFFAOYSA-N 0 0 412.496 4.801 50 0 HJAARN COc1ccc(C2=N/C(=C/c3cccc4ccccc34)C(=O)O2)cc1Br ZINC000002945834 568819925 /nfs/dbraw/zinc/81/99/25/568819925.db2.gz FDSXMLAZFDXVMW-LDADJPATSA-N 0 0 408.251 4.955 50 0 HJAARN O=C(CSCc1cnn(-c2ccccc2)c1-n1cccc1)NC1CCCCCC1 ZINC000002948271 568820312 /nfs/dbraw/zinc/82/03/12/568820312.db2.gz BUQCVSCIHNIESR-UHFFFAOYSA-N 0 0 408.571 4.735 50 0 HJAARN Cc1ccc(C2=NN3SC=C(c4ccc(F)cc4)N=C3[C@@](O)(C(F)(F)F)C2)cc1 ZINC000015226801 568820797 /nfs/dbraw/zinc/82/07/97/568820797.db2.gz LWRRWQKWFQOQGP-LJQANCHMSA-N 0 0 421.419 4.896 50 0 HJAARN CCc1c(C(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)[nH]c(C)c1C(C)=O ZINC000052724937 568822504 /nfs/dbraw/zinc/82/25/04/568822504.db2.gz VVTPUOOKQYWMDE-UHFFFAOYSA-N 0 0 411.889 4.968 50 0 HJAARN CC(C)c1ccc([C@@H](NCC(=O)Nc2ccc3c(c2)OCCO3)c2cccs2)cc1 ZINC000057273755 568825603 /nfs/dbraw/zinc/82/56/03/568825603.db2.gz QLVKHYFCTXODGZ-XMMPIXPASA-N 0 0 422.550 4.960 50 0 HJAARN Cc1ccc(-c2nc(S[C@H](C)C(=O)c3ccc(Br)cc3)n[nH]2)cc1 ZINC000005867473 568827005 /nfs/dbraw/zinc/82/70/05/568827005.db2.gz NXQVQJMUQSAIDE-GFCCVEGCSA-N 0 0 402.317 4.906 50 0 HJAARN Cn1c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccco1 ZINC000005862534 568826706 /nfs/dbraw/zinc/82/67/06/568826706.db2.gz LFPBGKNDMFZUQE-SFHVURJKSA-N 0 0 408.458 4.686 50 0 HJAARN C[C@H](OC(=O)c1c(F)cccc1Cl)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000005872271 568827378 /nfs/dbraw/zinc/82/73/78/568827378.db2.gz SRZVORJREMKIAQ-NSHDSACASA-N 0 0 404.850 4.787 50 0 HJAARN Cc1nc2ccccn2c1-c1nnc2sc(COc3ccc4ccccc4c3)nn21 ZINC000227143597 568827992 /nfs/dbraw/zinc/82/79/92/568827992.db2.gz UFYWUZDITPXPLK-UHFFFAOYSA-N 0 0 412.478 4.541 50 0 HJAARN CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2F)c2c[nH]c3ccccc32)cc1 ZINC000005898622 568828821 /nfs/dbraw/zinc/82/88/21/568828821.db2.gz ZZVPVFVJAOFNMN-OAQYLSRUSA-N 0 0 401.485 4.935 50 0 aggregator HJAARN Cc1ccc(C)c(Sc2ccc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)cc2)c1 ZINC000005902597 568828920 /nfs/dbraw/zinc/82/89/20/568828920.db2.gz MEVUNOLAOGNGQH-UHFFFAOYSA-N 0 0 415.518 4.872 50 0 HJAARN Cc1ncc(CO)c2cc(C(=O)Nc3cccc(Cl)c3)/c(=N/c3ccccc3)oc12 ZINC000002954591 568829694 /nfs/dbraw/zinc/82/96/94/568829694.db2.gz CRDFBJSJCNFGKJ-VYIQYICTSA-N 0 0 419.868 4.767 50 0 HJAARN CCOC(CCn1c(=O)c2ccccc2nc1SCc1ccc(C)cc1)OCC ZINC000002974007 568832165 /nfs/dbraw/zinc/83/21/65/568832165.db2.gz CMADNWPXYZWWHB-UHFFFAOYSA-N 0 0 412.555 4.786 50 0 HJAARN CCOC(CCn1c(=O)c2ccccc2nc1SCc1cccc(F)c1)OCC ZINC000002974008 568832337 /nfs/dbraw/zinc/83/23/37/568832337.db2.gz NQIXACJAXKKMEK-UHFFFAOYSA-N 0 0 416.518 4.617 50 0 HJAARN COc1cc2c(cc1OC)[C@@H](COc1cc(C)cc(C)c1)N(C(=O)c1ccco1)CC2 ZINC000002976746 568832626 /nfs/dbraw/zinc/83/26/26/568832626.db2.gz FJXFDXYSIAGWCN-OAQYLSRUSA-N 0 0 421.493 4.732 50 0 HJAARN CCCCn1c(=O)c2sccc2nc1SCC(=O)Nc1cccc(Cl)c1C ZINC000057426400 568835298 /nfs/dbraw/zinc/83/52/98/568835298.db2.gz URPFQPJAJFGJFW-UHFFFAOYSA-N 0 0 421.975 4.951 50 0 HJAARN Cc1ccc([C@@H](NCC(=O)Nc2ccc3c(c2)OCCCO3)c2cccs2)cc1 ZINC000057435570 568836696 /nfs/dbraw/zinc/83/66/96/568836696.db2.gz HSKZZEBIQIYIAY-HSZRJFAPSA-N 0 0 408.523 4.536 50 0 HJAARN Cc1ccc(/C=C(\C(=O)N2CCC(Cc3ccccc3)CC2)n2ccccc2=O)cc1 ZINC000012467003 568838077 /nfs/dbraw/zinc/83/80/77/568838077.db2.gz RUQVCFFWZGTTTA-LKUDQCMESA-N 0 0 412.533 4.636 50 0 HJAARN Cc1oc(-c2ccccc2)nc1COC(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000012475479 568838637 /nfs/dbraw/zinc/83/86/37/568838637.db2.gz ZRNWZIUEPZFCQM-UHFFFAOYSA-N 0 0 415.371 4.762 50 0 HJAARN CCCCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nc2ccsc2c1=O ZINC000057478672 568839989 /nfs/dbraw/zinc/83/99/89/568839989.db2.gz OCZSWOUCQHHSEA-UHFFFAOYSA-N 0 0 401.557 4.606 50 0 HJAARN C[C@H]1CCc2c(sc3nc(CCN(C)Cc4c(F)cccc4Cl)nc(N)c32)C1 ZINC000012514523 568840471 /nfs/dbraw/zinc/84/04/71/568840471.db2.gz WMCDYUANHQXNRJ-LBPRGKRZSA-N 0 0 418.969 4.865 50 0 HJAARN O[C@H](COCc1ccccc1Cl)CSc1nnc(Nc2ccccc2)s1 ZINC000012517158 568840648 /nfs/dbraw/zinc/84/06/48/568840648.db2.gz OWMMDLJERUFBTO-OAHLLOKOSA-N 0 0 407.948 4.605 50 0 HJAARN CN(Cc1nc2ccccc2n1C(F)F)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000012520194 568840985 /nfs/dbraw/zinc/84/09/85/568840985.db2.gz FZXDSNFQNPVOSL-UHFFFAOYSA-N 0 0 420.268 4.559 50 0 HJAARN CCOP(=O)(OCC)[C@H](NC(=O)/C=C/c1ccccc1)C(Cl)(Cl)Cl ZINC000003025767 568841369 /nfs/dbraw/zinc/84/13/69/568841369.db2.gz ZLBIRMOMTWUUMW-VNDWYCCKSA-N 0 0 414.653 4.778 50 0 HJAARN Cc1ccc(-n2cnnc2S[C@H](C(=O)N2CCCC2)c2ccccc2)cc1Cl ZINC000012524987 568842601 /nfs/dbraw/zinc/84/26/01/568842601.db2.gz WIXNXSPNQOWUDZ-IBGZPJMESA-N 0 0 412.946 4.685 50 0 HJAARN Cc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccc(Cl)cc3F)n2)cc1 ZINC000057486834 568842630 /nfs/dbraw/zinc/84/26/30/568842630.db2.gz CAXKDCNKPSOSMN-UHFFFAOYSA-N 0 0 410.836 4.945 50 0 HJAARN O=C(Nc1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1)c1ccco1 ZINC000012526237 568843070 /nfs/dbraw/zinc/84/30/70/568843070.db2.gz KPZDSJVUNHWRHE-UHFFFAOYSA-N 0 0 424.450 4.647 50 0 HJAARN Cc1ccc(NC(=S)N2CCC3(CC2)CC(=O)c2ccccc2O3)cc1Cl ZINC000003030176 568843361 /nfs/dbraw/zinc/84/33/61/568843361.db2.gz SZNBOEBBVVYTKS-UHFFFAOYSA-N 0 0 400.931 4.845 50 0 HJAARN Cn1ccnc1SC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000003983996 568843935 /nfs/dbraw/zinc/84/39/35/568843935.db2.gz CPDBALYNZRPEBV-OAGCWHJBSA-N 0 0 416.631 4.855 50 0 biogenic HJAARN C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000012529122 568843943 /nfs/dbraw/zinc/84/39/43/568843943.db2.gz QQOQGYXJCRJICJ-GASCZTMLSA-N 0 0 418.896 4.900 50 0 HJAARN Cc1nc2c(C(=O)N[C@@H]3CCCC[C@@H]3C)cnn2c(C)c1Cc1cccc(Cl)c1 ZINC000003033503 568845276 /nfs/dbraw/zinc/84/52/76/568845276.db2.gz OIXPITSXKCNGNN-LHSJRXKWSA-N 0 0 410.949 4.899 50 0 HJAARN Cc1cccc(Cc2cnc(NC(=O)c3ccc(-n4ccnc4)nc3)s2)c1Cl ZINC000012535713 568845278 /nfs/dbraw/zinc/84/52/78/568845278.db2.gz SAMNBLLANDFXQU-UHFFFAOYSA-N 0 0 409.902 4.529 50 0 HJAARN C[C@@H]1CCCC[C@H]1NC(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000003035045 568845535 /nfs/dbraw/zinc/84/55/35/568845535.db2.gz ZQGXJOXUZPMWBO-CZUORRHYSA-N 0 0 402.420 4.724 50 0 HJAARN CS(=O)(=O)Nc1cccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1 ZINC000012536302 568845813 /nfs/dbraw/zinc/84/58/13/568845813.db2.gz DPOLZHBLQXEHCZ-FQEVSTJZSA-N 0 0 412.536 4.530 50 0 HJAARN Cc1ccc(CN2C(=O)CN(C3CCC(C)CC3)C(=O)[C@H]2c2ccc(C)cc2)cc1 ZINC000003038481 568845951 /nfs/dbraw/zinc/84/59/51/568845951.db2.gz PGWHSJDNHFLTEU-BNVTUTKDSA-N 0 0 404.554 4.794 50 0 HJAARN Cc1ccc(CN2C(=O)CN(C3CCCCCC3)C(=O)[C@@H]2c2ccccc2F)cc1 ZINC000003039002 568846126 /nfs/dbraw/zinc/84/61/26/568846126.db2.gz MTOAMSCXMAYRRT-DEOSSOPVSA-N 0 0 408.517 4.769 50 0 HJAARN O=C(CSc1cc(NCc2ccccc2Cl)ncn1)Nc1ccccc1F ZINC000057505659 568846674 /nfs/dbraw/zinc/84/66/74/568846674.db2.gz ROBOXIBNXIGZQG-UHFFFAOYSA-N 0 0 402.882 4.612 50 0 HJAARN Cc1cccc(OCCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)c1C ZINC000012539347 568846889 /nfs/dbraw/zinc/84/68/89/568846889.db2.gz NLXAPXXEURDDHS-UHFFFAOYSA-N 0 0 417.509 4.987 50 0 HJAARN O=C1C[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CN1Cc1ccc(F)cc1 ZINC000012539690 568847092 /nfs/dbraw/zinc/84/70/92/568847092.db2.gz JAQWBXRVEJPWKG-LJQANCHMSA-N 0 0 417.459 4.879 50 0 HJAARN Cn1ccnc1[C@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccccc1 ZINC000012540218 568847307 /nfs/dbraw/zinc/84/73/07/568847307.db2.gz NWQPIJYLZPRZBP-HSZRJFAPSA-N 0 0 415.468 4.658 50 0 HJAARN Cc1cccc(NC(=O)COC(=O)COc2cc(Cl)c(Cl)cc2Cl)c1C ZINC000003231751 568847547 /nfs/dbraw/zinc/84/75/47/568847547.db2.gz TVYJQMFUXBRNTB-UHFFFAOYSA-N 0 0 416.688 4.824 50 0 HJAARN Cc1cc(C)c(Cc2c(C)nc3c(C(=O)NCc4cccs4)cnn3c2C)c(C)c1 ZINC000003041075 568847812 /nfs/dbraw/zinc/84/78/12/568847812.db2.gz SYRYXKNULPWJJG-UHFFFAOYSA-N 0 0 418.566 4.854 50 0 HJAARN Cc1nc2c(C(=O)NCc3ccccc3)cnn2c(C)c1Cc1c(F)cccc1Cl ZINC000003045372 568848819 /nfs/dbraw/zinc/84/88/19/568848819.db2.gz NFEFUCPSKRGXLU-UHFFFAOYSA-N 0 0 422.891 4.659 50 0 HJAARN c1csc(-c2nnc(CSc3nnc(N4CCCCC4)n3-c3ccccc3)o2)c1 ZINC000012543701 568849091 /nfs/dbraw/zinc/84/90/91/568849091.db2.gz YSTYYDMYBWBLQY-UHFFFAOYSA-N 0 0 424.555 4.661 50 0 HJAARN CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000003264707 568849436 /nfs/dbraw/zinc/84/94/36/568849436.db2.gz MIJGTESXPGIVLF-SFHVURJKSA-N 0 0 401.462 4.592 50 0 HJAARN COc1cc(NC(=O)[C@@H](C)Sc2nc3ccccc3n2C(F)F)cc(OC)c1 ZINC000012547285 568850909 /nfs/dbraw/zinc/85/09/09/568850909.db2.gz BAKLAUSLKUGAMK-LLVKDONJSA-N 0 0 407.442 4.568 50 0 HJAARN CCc1cc(=O)n(CC(=O)Nc2cccc(C(C)C)c2)c(-c2cccc(Cl)c2)n1 ZINC000057527778 568851015 /nfs/dbraw/zinc/85/10/15/568851015.db2.gz FCNZOZHWIMLDMJ-UHFFFAOYSA-N 0 0 409.917 4.888 50 0 HJAARN CC[C@H](C)N(C(=S)Nc1cccc(C(F)(F)F)c1)C1CCN(C(C)=O)CC1 ZINC000003054655 568851565 /nfs/dbraw/zinc/85/15/65/568851565.db2.gz CDDXFXBYMXTUTK-ZDUSSCGKSA-N 0 0 401.498 4.514 50 0 HJAARN COc1ccc(C(=O)C[C@H](C(=O)c2ccccc2)c2nc3ccccc3[nH]2)cc1OC ZINC000012550337 568852866 /nfs/dbraw/zinc/85/28/66/568852866.db2.gz GUXBXRQRYRYTKK-GOSISDBHSA-N 0 0 414.461 4.820 50 0 HJAARN CCOc1ccccc1Nc1nnc(S[C@H](C(=O)N(C)C)c2ccccc2)s1 ZINC000012550803 568853482 /nfs/dbraw/zinc/85/34/82/568853482.db2.gz ABWJIYSYWAPFSF-KRWDZBQOSA-N 0 0 414.556 4.602 50 0 HJAARN O=C(COC(=O)c1cc(Br)ccc1Cl)Nc1ccc(F)cc1Cl ZINC000003317217 568854029 /nfs/dbraw/zinc/85/40/29/568854029.db2.gz LMKJBLHJZNLGEU-UHFFFAOYSA-N 0 0 421.049 4.691 50 0 HJAARN O=C(COC(=O)c1c(Cl)cccc1Cl)Nc1ccc(OC(F)(F)F)cc1 ZINC000003330264 568854941 /nfs/dbraw/zinc/85/49/41/568854941.db2.gz CULICQFBUYXWCG-UHFFFAOYSA-N 0 0 408.159 4.688 50 0 HJAARN O=c1nc(CSc2nnc(-c3ccco3)o2)[nH]c2scc(-c3cccs3)c21 ZINC000003335696 568855246 /nfs/dbraw/zinc/85/52/46/568855246.db2.gz QNLKLBNNGKPHBL-UHFFFAOYSA-N 0 0 414.493 4.648 50 0 HJAARN Cc1nnc(S[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)n1Cc1ccccc1 ZINC000003332613 568855252 /nfs/dbraw/zinc/85/52/52/568855252.db2.gz OACXYRSYXANSRG-CYBMUJFWSA-N 0 0 420.460 4.773 50 0 HJAARN CCOc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3ccc(OC)cc3)C[C@@H]21 ZINC000227486265 568855390 /nfs/dbraw/zinc/85/53/90/568855390.db2.gz NZULXNUKOTWIDD-URXFXBBRSA-N 0 0 401.466 4.731 50 0 HJAARN CCN(CC)c1ccc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012555455 568855458 /nfs/dbraw/zinc/85/54/58/568855458.db2.gz VGZSBIPMEAIHGZ-MCADVSAISA-N 0 0 423.601 4.679 50 0 HJAARN O=C1S/C(=C/c2ccc(F)cc2)C(=O)N1CNc1ccc(Br)cc1 ZINC000003108333 568855908 /nfs/dbraw/zinc/85/59/08/568855908.db2.gz MTZYEILRAWAZQS-OQLLNIDSSA-N 0 0 407.264 4.694 50 0 HJAARN c1cc(CNc2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)cc2c1OCO2 ZINC000003343587 568855910 /nfs/dbraw/zinc/85/59/10/568855910.db2.gz ZXULWYTYTZEUJL-UHFFFAOYSA-N 0 0 422.554 4.507 50 0 HJAARN CC(C)(C)c1ccc(OCCC(=O)OCC(=O)c2cccc(Br)c2)cc1 ZINC000003349360 568856208 /nfs/dbraw/zinc/85/62/08/568856208.db2.gz OOIREHGTRHIFRY-UHFFFAOYSA-N 0 0 419.315 4.942 50 0 HJAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cc(Cl)ccc1N1CCCC1 ZINC000012557383 568856217 /nfs/dbraw/zinc/85/62/17/568856217.db2.gz MKKURSBADACUAI-QFIPXVFZSA-N 0 0 409.917 4.843 50 0 HJAARN Cc1ccc(NC(=O)COC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)cc1C ZINC000003353931 568856720 /nfs/dbraw/zinc/85/67/20/568856720.db2.gz MFLFOTCRTLPISG-UHFFFAOYSA-N 0 0 414.914 4.805 50 0 HJAARN O=C(CC1(c2ccccc2)C2CC3CC(C2)CC1C3)NCCOC(=O)c1cccs1 ZINC000003125726 568857133 /nfs/dbraw/zinc/85/71/33/568857133.db2.gz MQMLZZKIPVOGLT-UHFFFAOYSA-N 0 0 423.578 4.805 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000012559354 568857185 /nfs/dbraw/zinc/85/71/85/568857185.db2.gz XSNZUIAFDKEXCP-UHFFFAOYSA-N 0 0 407.857 4.828 50 0 HJAARN Clc1ccc(C2=Nn3c(Cc4ccc(Br)cc4)nnc3SC2)cc1 ZINC000012563762 568859556 /nfs/dbraw/zinc/85/95/56/568859556.db2.gz JZOKRMOGSNBPTA-UHFFFAOYSA-N 0 0 419.735 4.643 50 0 HJAARN Cc1ccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)cc1Cl ZINC000003433607 568859565 /nfs/dbraw/zinc/85/95/65/568859565.db2.gz ADTFGHSKBNLQTQ-UHFFFAOYSA-N 0 0 403.869 4.659 50 0 HJAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000003443462 568859708 /nfs/dbraw/zinc/85/97/08/568859708.db2.gz XMGTYUBXIONNMT-GFCCVEGCSA-N 0 0 407.451 4.619 50 0 HJAARN COc1cc(-c2cc(C(=O)Nc3nccs3)c3ccccc3n2)cc(OC)c1OC ZINC000003549676 568861934 /nfs/dbraw/zinc/86/19/34/568861934.db2.gz CRRJGXUCTONRMR-UHFFFAOYSA-N 0 0 421.478 4.636 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl ZINC000003220107 568863070 /nfs/dbraw/zinc/86/30/70/568863070.db2.gz ZFGGDNULBFDRSI-UHFFFAOYSA-N 0 0 408.068 4.799 50 0 HJAARN CCOc1ccc(NC(=S)N2CCn3cccc3[C@H]2c2ccc(OC)cc2)cc1 ZINC000003582491 568863744 /nfs/dbraw/zinc/86/37/44/568863744.db2.gz FDIALOMYICXBFY-JOCHJYFZSA-N 0 0 407.539 4.697 50 0 HJAARN CN(C(=O)c1cc(=O)c2ccccc2o1)[C@@]1(c2ccccc2Cl)CCCCC1=O ZINC000003229856 568864723 /nfs/dbraw/zinc/86/47/23/568864723.db2.gz ULIVATPEBVWDDD-HSZRJFAPSA-N 0 0 409.869 4.557 50 0 HJAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@@H](c3cccc(Cl)c3)N2C1=O ZINC000003636731 568865040 /nfs/dbraw/zinc/86/50/40/568865040.db2.gz FDXHNMGPBAILOV-DOTOQJQBSA-N 0 0 406.935 4.578 50 0 HJAARN CN(C(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1)C1CCCCC1 ZINC000003270038 568870311 /nfs/dbraw/zinc/87/03/11/568870311.db2.gz OBNSADWZWGMOSD-UHFFFAOYSA-N 0 0 414.552 4.973 50 0 HJAARN CC(=O)Nc1ccc2c(CSc3nccn3-c3cc(C)ccc3C)cc(=O)oc2c1 ZINC000012603298 568870405 /nfs/dbraw/zinc/87/04/05/568870405.db2.gz CZZXQLQGPPHHDM-UHFFFAOYSA-N 0 0 419.506 4.846 50 0 HJAARN Cc1ccc(C)c(NC(=O)CSc2n[nH]c(-c3ccc(Br)cc3)n2)c1 ZINC000003279138 568871309 /nfs/dbraw/zinc/87/13/09/568871309.db2.gz BFSBSUNEWAXFJT-UHFFFAOYSA-N 0 0 417.332 4.582 50 0 HJAARN O=C(COC(=O)c1ccccc1Oc1ccccc1)Nc1ccccc1OC(F)F ZINC000003283520 568872070 /nfs/dbraw/zinc/87/20/70/568872070.db2.gz OTQDPMSUKLKFQG-UHFFFAOYSA-N 0 0 413.376 4.876 50 0 HJAARN CC(C)Oc1ccc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000003283948 568872115 /nfs/dbraw/zinc/87/21/15/568872115.db2.gz KWBDZXAGOFJFIG-OAHLLOKOSA-N 0 0 410.495 4.781 50 0 HJAARN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1cccc(Br)c1 ZINC000012618199 568872363 /nfs/dbraw/zinc/87/23/63/568872363.db2.gz ZZDYIMNPZYCFFM-UHFFFAOYSA-N 0 0 407.214 4.954 50 0 HJAARN COc1cc2ccccc2cc1C(=O)OCC(=O)c1ccc(Br)s1 ZINC000003302363 568877001 /nfs/dbraw/zinc/87/70/01/568877001.db2.gz MOPXKCBYPGCOHB-UHFFFAOYSA-N 0 0 405.269 4.712 50 0 HJAARN Cc1ccccc1-n1nnnc1SCC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000003304099 568877252 /nfs/dbraw/zinc/87/72/52/568877252.db2.gz JMAJHMLFODQBTF-UHFFFAOYSA-N 0 0 409.559 4.948 50 0 HJAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CN(C)Cc2ccccc2)cc1 ZINC000015350125 568877703 /nfs/dbraw/zinc/87/77/03/568877703.db2.gz HQZCJQZOTNDVLL-RUZDIDTESA-N 0 0 413.521 4.505 50 0 HJAARN COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1c(Cl)cccc1Cl ZINC000003309366 568877710 /nfs/dbraw/zinc/87/77/10/568877710.db2.gz NHKNQVOZWNPPLR-UHFFFAOYSA-N 0 0 402.661 4.759 50 0 HJAARN O=C1C[C@@H](c2cccc(O)c2)c2c(ccc3c(=O)c(-c4ccccc4F)coc32)O1 ZINC000263585270 568878449 /nfs/dbraw/zinc/87/84/49/568878449.db2.gz GXTRAVDZMQTJQX-KRWDZBQOSA-N 0 0 402.377 4.746 50 0 biogenic HJAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc32)c1C ZINC000003315331 568879221 /nfs/dbraw/zinc/87/92/21/568879221.db2.gz TZUOAKVSSPWRRH-UHFFFAOYSA-N 0 0 416.433 4.682 50 0 HJAARN O=c1nc(CSc2nnc(-c3ccccc3)o2)[nH]c2scc(-c3ccccc3)c21 ZINC000003317198 568879577 /nfs/dbraw/zinc/87/95/77/568879577.db2.gz CVQNDGSCLYTBAU-UHFFFAOYSA-N 0 0 418.503 4.994 50 0 HJAARN O=C(CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000003324924 568880894 /nfs/dbraw/zinc/88/08/94/568880894.db2.gz WPZHXPKYZJRPGE-UHFFFAOYSA-N 0 0 422.456 4.698 50 0 HJAARN CCc1cccc(C)c1-n1c(CNC(=O)c2ccc(OC)cc2)nnc1SC(C)C ZINC000004059398 568881017 /nfs/dbraw/zinc/88/10/17/568881017.db2.gz VCIMHSHXUBVPDM-UHFFFAOYSA-N 0 0 424.570 4.577 50 0 HJAARN CC[C@@H](C)Sc1nnc(Cn2c3ccccc3sc2=O)n1-c1ccccc1C ZINC000004062265 568881566 /nfs/dbraw/zinc/88/15/66/568881566.db2.gz VJGVRTRTBQBPIO-OAHLLOKOSA-N 0 0 410.568 4.891 50 0 HJAARN COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccccc2)c1 ZINC000004062140 568881594 /nfs/dbraw/zinc/88/15/94/568881594.db2.gz ROXJCVJZPAJKGV-IURDAJEJSA-N 0 0 421.537 4.612 50 0 biogenic HJAARN O=C(COC(=O)c1ccc(Br)cc1)Nc1ccccc1-c1ccccc1 ZINC000003329396 568881659 /nfs/dbraw/zinc/88/16/59/568881659.db2.gz IKSQRJAXZGFSTM-UHFFFAOYSA-N 0 0 410.267 4.912 50 0 HJAARN COc1ccc(NC(=O)COc2ncnc3c(Cl)cc(Cl)cc23)cc1Cl ZINC000003337513 568882976 /nfs/dbraw/zinc/88/29/76/568882976.db2.gz VBGLRYZKFDAHKQ-UHFFFAOYSA-N 0 0 412.660 4.616 50 0 HJAARN C[C@@H]1C[C@H](C)CN(c2oc(-c3cccs3)nc2S(=O)(=O)c2ccccc2)C1 ZINC000012637082 568883672 /nfs/dbraw/zinc/88/36/72/568883672.db2.gz OJRSOJFRMINXAG-GASCZTMLSA-N 0 0 402.541 4.718 50 0 HJAARN COCCn1ccc2c1cccc2OCC(=O)Nc1cccc2c1ccn2C(C)C ZINC000263588298 568883748 /nfs/dbraw/zinc/88/37/48/568883748.db2.gz RLKZBZWYWAHGPX-UHFFFAOYSA-N 0 0 405.498 4.841 50 0 HJAARN O=C(NCc1cc(-c2ccc(F)cc2)on1)c1cc(Br)ccc1Cl ZINC000012636749 568883846 /nfs/dbraw/zinc/88/38/46/568883846.db2.gz MLADGHALGZJISH-UHFFFAOYSA-N 0 0 409.642 4.827 50 0 HJAARN CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)cc1 ZINC000003344382 568884359 /nfs/dbraw/zinc/88/43/59/568884359.db2.gz JLVNPBUELPCPSE-UHFFFAOYSA-N 0 0 423.586 4.811 50 0 HJAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccc(F)c(F)c1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000263588918 568884554 /nfs/dbraw/zinc/88/45/54/568884554.db2.gz ZWLGHHQXKUGFQL-OAQYLSRUSA-N 0 0 421.447 4.701 50 0 HJAARN COc1ccc(CNC(=O)c2c(C)oc3c2cc(OC(C)=O)c2ccccc32)cc1 ZINC000001236052 568886097 /nfs/dbraw/zinc/88/60/97/568886097.db2.gz RSOHZBLVPCXUOA-UHFFFAOYSA-N 0 0 403.434 4.758 50 0 HJAARN COc1ccc(NC(=O)[C@@H](Nc2ccc3c(c2)OCO3)c2ccccc2)cc1Cl ZINC000003354499 568886294 /nfs/dbraw/zinc/88/62/94/568886294.db2.gz YRWRXVKWBMBPIO-NRFANRHFSA-N 0 0 410.857 4.869 50 0 HJAARN C[C@H](Sc1nnc(NC2CCCCC2)s1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000003356414 568886946 /nfs/dbraw/zinc/88/69/46/568886946.db2.gz VUNRUCXGKWNVBN-KSSFIOAISA-N 0 0 416.616 4.957 50 0 HJAARN Cc1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000003359970 568887558 /nfs/dbraw/zinc/88/75/58/568887558.db2.gz NXEVGLPLJDSFHB-UHFFFAOYSA-N 0 0 401.462 4.807 50 0 HJAARN O=C(CSc1nn(-c2ccccc2)c(=S)s1)N[C@H]1CCCc2ccccc21 ZINC000003365050 568888906 /nfs/dbraw/zinc/88/89/06/568888906.db2.gz AZMRKALMIGJPMQ-KRWDZBQOSA-N 0 0 413.593 4.949 50 0 HJAARN CCOc1ccc(-c2nc(NC(=O)Cc3ccc(OC)c(OC)c3)sc2C)cc1 ZINC000003366686 568889385 /nfs/dbraw/zinc/88/93/85/568889385.db2.gz PEJRHDLIBDDNRS-UHFFFAOYSA-N 0 0 412.511 4.716 50 0 HJAARN CCc1cc2c(ncnc2SCc2cc(=O)oc3cc(NC(C)=O)ccc23)s1 ZINC000003367560 568889393 /nfs/dbraw/zinc/88/93/93/568889393.db2.gz CGCLJLMSCXQOHY-UHFFFAOYSA-N 0 0 411.508 4.611 50 0 HJAARN O=C(OCc1nnc(-c2ccccc2Br)o1)c1c(F)cccc1Cl ZINC000003382692 568892852 /nfs/dbraw/zinc/89/28/52/568892852.db2.gz JIRLIHADXSAUKH-UHFFFAOYSA-N 0 0 411.614 4.649 50 0 HJAARN CCc1cc(=O)oc2cc(OCC(=O)NC(c3ccccc3)c3ccccc3)ccc12 ZINC000003396871 568895515 /nfs/dbraw/zinc/89/55/15/568895515.db2.gz NBMPKNBNDYQHKR-UHFFFAOYSA-N 0 0 413.473 4.640 50 0 HJAARN FC(F)(F)c1ccc(Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)nc1 ZINC000003408086 568897451 /nfs/dbraw/zinc/89/74/51/568897451.db2.gz GOCVFHRHIKSGSC-GFCCVEGCSA-N 0 0 412.462 4.751 50 0 HJAARN Cc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000003408935 568897731 /nfs/dbraw/zinc/89/77/31/568897731.db2.gz SSVTZAUMEGENCK-UHFFFAOYSA-N 0 0 400.887 4.702 50 0 HJAARN O=C(CN(Cc1ccco1)C(=O)C1CCCCC1)Nc1ccccc1Br ZINC000003414021 568898709 /nfs/dbraw/zinc/89/87/09/568898709.db2.gz YFQUSBYNHJEOAX-UHFFFAOYSA-N 0 0 419.319 4.590 50 0 HJAARN O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cc(Br)ccc1Cl ZINC000003419912 568899724 /nfs/dbraw/zinc/89/97/24/568899724.db2.gz WNWUTOBDSQXBHH-INIZCTEOSA-N 0 0 411.727 4.653 50 0 HJAARN CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c1 ZINC000003444806 568904325 /nfs/dbraw/zinc/90/43/25/568904325.db2.gz GFJCCTLGAPNESU-MRXNPFEDSA-N 0 0 405.425 4.665 50 0 HJAARN COc1ccccc1NC(=O)c1ccccc1NC(=O)CCOc1cccc(C)c1 ZINC000003447731 568904931 /nfs/dbraw/zinc/90/49/31/568904931.db2.gz IXWKARIHYAMQAK-UHFFFAOYSA-N 0 0 404.466 4.664 50 0 HJAARN C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000003457684 568906705 /nfs/dbraw/zinc/90/67/05/568906705.db2.gz PJRIJCMZGCGMOG-KDOFPFPSSA-N 0 0 410.568 4.956 50 0 HJAARN Cc1ccc(Nc2nnc(SCC(=O)N[C@H]3CCCc4ccccc43)s2)cc1 ZINC000003469742 568907576 /nfs/dbraw/zinc/90/75/76/568907576.db2.gz GMTVFJPHGZFZFG-SFHVURJKSA-N 0 0 410.568 4.876 50 0 HJAARN CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)C[C@H](C(C)C)OC3 ZINC000001253919 568908786 /nfs/dbraw/zinc/90/87/86/568908786.db2.gz ZKWOMKVUDBYLKU-MRXNPFEDSA-N 0 0 416.568 4.665 50 0 HJAARN CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)C[C@H](C(C)C)OC3 ZINC000001250514 568908854 /nfs/dbraw/zinc/90/88/54/568908854.db2.gz HZDQYOCHDKNLSW-MRXNPFEDSA-N 0 0 400.569 4.965 50 0 HJAARN CCOC(=O)c1oc2ccccc2c1CSc1nnnn1-c1ccc(Cl)cc1 ZINC000003492991 568909497 /nfs/dbraw/zinc/90/94/97/568909497.db2.gz BWXVLPIRIUPFRN-UHFFFAOYSA-N 0 0 414.874 4.531 50 0 HJAARN Cc1cc(-n2c(C)cc(C(=O)CSc3nnc4sc5ccccc5n34)c2C)no1 ZINC000003495793 568909699 /nfs/dbraw/zinc/90/96/99/568909699.db2.gz WCUWBZKVYJQNDE-UHFFFAOYSA-N 0 0 423.523 4.623 50 0 HJAARN FC(F)(F)c1cccc(-c2noc(-c3ncn4c3CO[C@H](c3ccccc3)C4)n2)c1 ZINC000263616944 568910916 /nfs/dbraw/zinc/91/09/16/568910916.db2.gz LHKSCDUQIZCFKQ-KRWDZBQOSA-N 0 0 412.371 4.890 50 0 HJAARN CC(C)Oc1ccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccc(F)cc3)OC4)n2)cc1 ZINC000263617948 568911641 /nfs/dbraw/zinc/91/16/41/568911641.db2.gz QPKLTSDGCYKOBC-NRFANRHFSA-N 0 0 420.444 4.798 50 0 HJAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 ZINC000031073897 568912064 /nfs/dbraw/zinc/91/20/64/568912064.db2.gz CLCBMICGOVYKKI-UHFFFAOYSA-N 0 0 415.559 4.822 50 0 HJAARN O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)c1ccc(Br)cc1 ZINC000003525427 568912428 /nfs/dbraw/zinc/91/24/28/568912428.db2.gz QLENDQWQSXYAAX-UHFFFAOYSA-N 0 0 405.263 4.826 50 0 HJAARN O=C(COC(=O)c1c2c(nc3ccccc31)CCC2)Nc1c(Cl)cccc1Cl ZINC000003525780 568912461 /nfs/dbraw/zinc/91/24/61/568912461.db2.gz XDIDVUQLYCOZIT-UHFFFAOYSA-N 0 0 415.276 4.826 50 0 HJAARN Cc1ccc(CN2c3ccc(Cl)cc3[C@](O)(CC(=O)c3ccccc3)C2=O)c(C)c1 ZINC000001320472 568914115 /nfs/dbraw/zinc/91/41/15/568914115.db2.gz VXQYKWYEZKGJTB-RUZDIDTESA-N 0 0 419.908 4.964 50 0 HJAARN Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)c1ccc(Br)s1 ZINC000003548098 568914277 /nfs/dbraw/zinc/91/42/77/568914277.db2.gz VIBNHEZRWCWQSF-UHFFFAOYSA-N 0 0 406.257 4.514 50 0 HJAARN O=C(CSC1=NC2(CCCCC2)Nc2ccccc21)Nc1ccc2c(c1)OCCO2 ZINC000004372193 568915932 /nfs/dbraw/zinc/91/59/32/568915932.db2.gz HTUDSQGBXYIHOB-UHFFFAOYSA-N 0 0 423.538 4.662 50 0 HJAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3F)oc2N2CCCCC2)cc1 ZINC000004143340 568916238 /nfs/dbraw/zinc/91/62/38/568916238.db2.gz IPDSTPSTHDVIDQ-UHFFFAOYSA-N 0 0 400.475 4.612 50 0 HJAARN CCc1nnc(NC(=O)c2ccccc2NC(=O)Cc2cccc3ccccc32)s1 ZINC000012697404 568916837 /nfs/dbraw/zinc/91/68/37/568916837.db2.gz KRGFFVGWCZZISI-UHFFFAOYSA-N 0 0 416.506 4.687 50 0 HJAARN O=C(NCCC1=CCCCC1)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1 ZINC000003587753 568917727 /nfs/dbraw/zinc/91/77/27/568917727.db2.gz LZDMSEABGUPLGE-UHFFFAOYSA-N 0 0 421.946 4.668 50 0 HJAARN Cc1ccc(Cn2nnc3c2ncnc3SCc2cccc(C(F)(F)F)c2)cc1 ZINC000004166391 568919088 /nfs/dbraw/zinc/91/90/88/568919088.db2.gz UKSHMHRYGIACLM-UHFFFAOYSA-N 0 0 415.444 4.889 50 0 HJAARN Fc1ccccc1Cn1nnc2c1ncnc2SCc1cccc2ccccc21 ZINC000004166540 568919212 /nfs/dbraw/zinc/91/92/12/568919212.db2.gz HAMHKBMATSATLY-UHFFFAOYSA-N 0 0 401.470 4.854 50 0 HJAARN O=C(COc1ccccc1)NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000004167080 568919607 /nfs/dbraw/zinc/91/96/07/568919607.db2.gz OIYYFOMRFGBKNM-UHFFFAOYSA-N 0 0 406.429 4.567 50 0 HJAARN O=C(NCCC1=CCCCC1)c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1)c2=O ZINC000003629997 568920834 /nfs/dbraw/zinc/92/08/34/568920834.db2.gz PLMSVHRMUZZXNN-UHFFFAOYSA-N 0 0 405.523 4.669 50 0 HJAARN CN(Cc1ccccc1)C(=O)c1ccccc1C(=O)c1ccc(Br)cc1 ZINC000012728698 568921101 /nfs/dbraw/zinc/92/11/01/568921101.db2.gz KNJZUCZTQQXLMY-UHFFFAOYSA-N 0 0 408.295 4.952 50 0 HJAARN O=C(NC[C@H]1OCCc2ccccc21)c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000003635457 568921553 /nfs/dbraw/zinc/92/15/53/568921553.db2.gz DDWHVNHALOICSG-JOCHJYFZSA-N 0 0 420.896 4.636 50 0 HJAARN Cc1nn(C)c2nc(OCc3nc(-c4cccs4)oc3C)cc(C(F)(F)F)c12 ZINC000045995708 568922046 /nfs/dbraw/zinc/92/20/46/568922046.db2.gz MINTYRNYLTVCSH-UHFFFAOYSA-N 0 0 408.405 4.899 50 0 HJAARN CCCCCOc1ccc(-c2nc3s/c(=C\C=C\c4ccccc4)c(=O)n3n2)cc1 ZINC000003649044 568922377 /nfs/dbraw/zinc/92/23/77/568922377.db2.gz ZQBPNUDPMTUDGF-AWPKRLTISA-N 0 0 417.534 4.600 50 0 HJAARN COc1ccc([C@@H]2CCCN2C(=O)COc2ccc(Cl)cc2Br)cc1 ZINC000012733400 568923739 /nfs/dbraw/zinc/92/37/39/568923739.db2.gz PUBSKMWRVLVPBN-KRWDZBQOSA-N 0 0 424.722 4.854 50 0 HJAARN COc1cc(CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1OC ZINC000031335541 568924468 /nfs/dbraw/zinc/92/44/68/568924468.db2.gz XKSHUKVYUIUAFI-LBPRGKRZSA-N 0 0 412.313 4.781 50 0 HJAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000012736086 568924687 /nfs/dbraw/zinc/92/46/87/568924687.db2.gz ZTDBIHVMZJDFBQ-CYBMUJFWSA-N 0 0 402.294 4.789 50 0 HJAARN O=C(NCc1ccccc1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F ZINC000012736103 568924691 /nfs/dbraw/zinc/92/46/91/568924691.db2.gz DTXBWEXMCUZOEC-UHFFFAOYSA-N 0 0 413.321 4.840 50 0 HJAARN COC(=O)c1ccccc1SCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000001392132 568924718 /nfs/dbraw/zinc/92/47/18/568924718.db2.gz QFGYMMFVFQNPJW-UHFFFAOYSA-N 0 0 418.927 4.981 50 0 HJAARN O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000012735727 568924861 /nfs/dbraw/zinc/92/48/61/568924861.db2.gz MEOFTXCDIKCDJW-CYBMUJFWSA-N 0 0 414.861 4.636 50 0 HJAARN CCOC(=O)COc1cc(NC(=O)c2ccc(Cl)cc2)c(Cl)cc1Cl ZINC000001392316 568924878 /nfs/dbraw/zinc/92/48/78/568924878.db2.gz NVXYKDOOFMSDJW-UHFFFAOYSA-N 0 0 402.661 4.841 50 0 HJAARN COCCn1ccc2cc(NC(=O)c3cc(Br)ccc3Cl)ccc21 ZINC000083914507 568924881 /nfs/dbraw/zinc/92/48/81/568924881.db2.gz WHYRBJJXMUQVHH-UHFFFAOYSA-N 0 0 407.695 4.956 50 0 HJAARN O=c1ccn(-c2cccc(C(F)(F)F)c2)nc1-c1ccn(-c2cccc(Cl)c2)n1 ZINC000001392531 568924902 /nfs/dbraw/zinc/92/49/02/568924902.db2.gz ZRNONHUOKAABFD-UHFFFAOYSA-N 0 0 416.790 4.757 50 0 HJAARN COc1cccc(COC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)c1 ZINC000058549411 568924984 /nfs/dbraw/zinc/92/49/84/568924984.db2.gz SCCHNXCWCGRJJL-UHFFFAOYSA-N 0 0 409.442 4.501 50 0 HJAARN COc1nc(C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)cc2ccccc21 ZINC000083915488 568925040 /nfs/dbraw/zinc/92/50/40/568925040.db2.gz OBHNJFAIYCXAGS-UHFFFAOYSA-N 0 0 403.482 4.512 50 0 HJAARN CCOc1ccc(-c2nc(CS[C@@H](C)C(=O)Nc3cc(C)on3)cs2)cc1 ZINC000031412743 568925735 /nfs/dbraw/zinc/92/57/35/568925735.db2.gz JQSXKUYSVQQHII-ZDUSSCGKSA-N 0 0 403.529 4.766 50 0 HJAARN Cc1nn(C)c(C)c1C(=O)C(=O)Nc1cc(-c2ccc(C)cc2)cc(-c2ccccc2)n1 ZINC000058571906 568925747 /nfs/dbraw/zinc/92/57/47/568925747.db2.gz XURXDFLLXZZQHM-UHFFFAOYSA-N 0 0 424.504 4.896 50 0 HJAARN O=C(NCCc1ccc(F)cc1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000003816439 568926755 /nfs/dbraw/zinc/92/67/55/568926755.db2.gz YYCCEEKJKPRABY-UHFFFAOYSA-N 0 0 411.786 4.656 50 0 HJAARN Cc1nc(C(=O)Nc2cccc(C(F)(F)F)c2)nn1-c1cccc(C(F)(F)F)c1 ZINC000001401497 568927175 /nfs/dbraw/zinc/92/71/75/568927175.db2.gz VEVQMTANHXTYHQ-UHFFFAOYSA-N 0 0 414.309 4.866 50 0 HJAARN CCOC(=O)C=C1Nc2ccccc2C(c2ccccc2)(c2ccccc2)N1C(C)=O ZINC000004182237 568927999 /nfs/dbraw/zinc/92/79/99/568927999.db2.gz LTNWYGSHZBVZFC-MOHJPFBDSA-N 0 0 412.489 4.657 50 0 HJAARN Cc1c([C@H](C)NC(=O)CCc2nc3ccccc3s2)cnn1-c1ccc(F)cc1 ZINC000031562600 568928214 /nfs/dbraw/zinc/92/82/14/568928214.db2.gz SOWDPJDOZDLSCH-AWEZNQCLSA-N 0 0 408.502 4.740 50 0 HJAARN COc1ccc(-c2nnc([C@@H](C)Sc3nnc(COc4ccc(C)cc4)o3)o2)cc1 ZINC000031621231 568928746 /nfs/dbraw/zinc/92/87/46/568928746.db2.gz RZYMBKLLESACHF-CQSZACIVSA-N 0 0 424.482 4.869 50 0 HJAARN COc1cc(COc2cnc(-c3ccccc3)nc2)c(OC)cc1Br ZINC000031785163 568931304 /nfs/dbraw/zinc/93/13/04/568931304.db2.gz ABMLDMYJZPMVRG-UHFFFAOYSA-N 0 0 401.260 4.502 50 0 HJAARN CCCOc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1OCC ZINC000003999971 568931973 /nfs/dbraw/zinc/93/19/73/568931973.db2.gz YQCUZQHFUZYIQY-PUESRJFGSA-N 0 0 420.553 4.901 50 0 biogenic HJAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cc(C)ccc3C)C2)c2ccccc12 ZINC000012746497 568932561 /nfs/dbraw/zinc/93/25/61/568932561.db2.gz ONAMMHZDGYMWJT-LJQANCHMSA-N 0 0 416.521 4.956 50 0 HJAARN CCOC(=O)/C=C(\C)N1N=C2c3ccc(OC)cc3CC[C@H]2[C@@H]1c1cccc(F)c1 ZINC000004006086 568933021 /nfs/dbraw/zinc/93/30/21/568933021.db2.gz XKNITNZFPVZCAL-CKNRVKLLSA-N 0 0 408.473 4.625 50 0 HJAARN CSc1nc(-c2ccco2)nc(C)c1C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000084019694 568933274 /nfs/dbraw/zinc/93/32/74/568933274.db2.gz CPWCTVBFCIWRJU-AWEZNQCLSA-N 0 0 415.515 4.873 50 0 HJAARN CC(C)[C@H](NC(=O)Cn1cnc2cc(-c3ccccc3)sc2c1=O)c1ccccc1 ZINC000012747537 568933350 /nfs/dbraw/zinc/93/33/50/568933350.db2.gz WWVDOOAEWWTISW-QFIPXVFZSA-N 0 0 417.534 4.639 50 0 HJAARN Cc1c(-c2cccc(NC(=O)c3ccccc3Br)c2)nc2ncccn12 ZINC000004033200 568934869 /nfs/dbraw/zinc/93/48/69/568934869.db2.gz BMJSIBWPVSHJJB-UHFFFAOYSA-N 0 0 407.271 4.720 50 0 HJAARN CC(C)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000004033380 568935032 /nfs/dbraw/zinc/93/50/32/568935032.db2.gz CXROERRRNBFSKY-HNNXBMFYSA-N 0 0 412.331 4.975 50 0 HJAARN Cc1nc(CN(C)C(=O)c2ccccc2C(=O)c2cccs2)nc2ccccc12 ZINC000084068112 568935301 /nfs/dbraw/zinc/93/53/01/568935301.db2.gz OIWZDDPNXQRZFC-UHFFFAOYSA-N 0 0 401.491 4.503 50 0 HJAARN Cc1nnc(SC2=C3CCCC[C@]3(c3ccccc3Cl)N(C)C2=O)n1C1CC1 ZINC000012750230 568937942 /nfs/dbraw/zinc/93/79/42/568937942.db2.gz HCDJLWSATAYWTC-OAQYLSRUSA-N 0 0 414.962 4.863 50 0 HJAARN COc1ccc(-n2nc3c(c2NC(=O)C24CC5CC(CC(C5)C2)C4)CSC3)cc1 ZINC000004077241 568938222 /nfs/dbraw/zinc/93/82/22/568938222.db2.gz YMZMFWDGPNZDII-UHFFFAOYSA-N 0 0 409.555 4.783 50 0 HJAARN COC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000004081647 568938974 /nfs/dbraw/zinc/93/89/74/568938974.db2.gz ZHUOOEGSSFNTNP-KVBIGJNOSA-N 0 0 406.607 4.566 50 0 biogenic HJAARN Cc1cc(CSc2ccccc2C(=O)OCc2csc(N(C)C3CC3)n2)on1 ZINC000084124444 568939169 /nfs/dbraw/zinc/93/91/69/568939169.db2.gz XEVDMIYGITYZSX-UHFFFAOYSA-N 0 0 415.540 4.687 50 0 HJAARN O=C(COc1ccccc1Br)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000012751206 568940449 /nfs/dbraw/zinc/94/04/49/568940449.db2.gz JFPLYNPTYBIIJN-LJQANCHMSA-N 0 0 420.303 4.934 50 0 HJAARN O=C(NC[C@H](Cc1ccccc1F)c1ccccc1)c1nc(-c2cccs2)no1 ZINC000001431327 568940471 /nfs/dbraw/zinc/94/04/71/568940471.db2.gz GJHMGKKWVRMWMZ-KRWDZBQOSA-N 0 0 407.470 4.694 50 0 HJAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@H](C)c1ccccc1)OC(C)(C)CC3 ZINC000004089381 568941643 /nfs/dbraw/zinc/94/16/43/568941643.db2.gz IPSOWELRKOENJV-MRXNPFEDSA-N 0 0 405.494 4.625 50 0 biogenic HJAARN O=C(CC[C@H]1Cc2ccccc2NC1=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012754746 568942480 /nfs/dbraw/zinc/94/24/80/568942480.db2.gz MSZVOLCPJJCRMY-ZWKOTPCHSA-N 0 0 419.550 4.594 50 0 HJAARN O=C(CCn1cnc2scc(-c3ccccc3)c2c1=O)Nc1ccccc1Cl ZINC000012755815 568942857 /nfs/dbraw/zinc/94/28/57/568942857.db2.gz BZCLVPJASVWAQK-UHFFFAOYSA-N 0 0 409.898 4.807 50 0 HJAARN Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ccc5c(c4)OCCO5)cc3)o2)c1 ZINC000012759318 568943738 /nfs/dbraw/zinc/94/37/38/568943738.db2.gz RMPXAARXRGXTDX-UHFFFAOYSA-N 0 0 413.433 4.736 50 0 HJAARN Cn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1c[nH]c2ccccc21 ZINC000004138348 568945710 /nfs/dbraw/zinc/94/57/10/568945710.db2.gz XIFRQLSVRVAERT-UHFFFAOYSA-N 0 0 413.506 4.847 50 0 HJAARN O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1cccnc1Sc1ccccc1 ZINC000012762103 568946332 /nfs/dbraw/zinc/94/63/32/568946332.db2.gz REXCLWRNBQOWOA-UHFFFAOYSA-N 0 0 403.507 4.511 50 0 HJAARN COC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1Cl ZINC000004146065 568946522 /nfs/dbraw/zinc/94/65/22/568946522.db2.gz IMIOSVFGAAQGEN-LLVKDONJSA-N 0 0 408.310 4.895 50 0 HJAARN CCCOc1ccccc1NC(=O)c1cc(C)nc2c1cnn2Cc1cccs1 ZINC000012762512 568946870 /nfs/dbraw/zinc/94/68/70/568946870.db2.gz YJCIKSVNXOSYNO-UHFFFAOYSA-N 0 0 406.511 4.891 50 0 HJAARN O=C(CSc1ccccc1F)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000012765114 568947893 /nfs/dbraw/zinc/94/78/93/568947893.db2.gz AYMRQLJWMHPFRM-UHFFFAOYSA-N 0 0 420.307 4.564 50 0 HJAARN Cc1ccc(-n2nc3c(c2NC(=O)COc2ccc(Cl)cc2)CSC3)c(C)c1 ZINC000004176227 568948614 /nfs/dbraw/zinc/94/86/14/568948614.db2.gz DYUPAHIUZIDVHB-UHFFFAOYSA-N 0 0 413.930 4.907 50 0 HJAARN O=C(Cc1coc(-c2cccs2)n1)N[C@H](Cc1cccc(O)c1)c1ccccc1 ZINC000084522584 568950333 /nfs/dbraw/zinc/95/03/33/568950333.db2.gz YOJHFYWMQKLGAJ-HXUWFJFHSA-N 0 0 404.491 4.751 50 0 HJAARN COc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c32)cc1OC ZINC000012770260 568950997 /nfs/dbraw/zinc/95/09/97/568950997.db2.gz LNMHWLKKVSOZSV-UHFFFAOYSA-N 0 0 407.401 4.607 50 0 HJAARN O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)[C@H]1COc2ccccc2O1 ZINC000004224318 568952469 /nfs/dbraw/zinc/95/24/69/568952469.db2.gz VCODYGBXEWLKMG-MRXNPFEDSA-N 0 0 407.278 4.895 50 0 HJAARN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)[C@H]1COc2ccccc2O1 ZINC000004224257 568952533 /nfs/dbraw/zinc/95/25/33/568952533.db2.gz ZODWVVBKOFVBRB-MRXNPFEDSA-N 0 0 407.278 4.895 50 0 HJAARN 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O=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc21)c1ccc2c(c1)OCCO2 ZINC000007989936 568966634 /nfs/dbraw/zinc/96/66/34/568966634.db2.gz JBAQREOYBHLJFL-SFHVURJKSA-N 0 0 404.491 4.563 50 0 HJAARN Cc1cccc(C)c1NC(=O)CNC(=O)CSc1cccc2cccc(Cl)c21 ZINC000007990138 568966636 /nfs/dbraw/zinc/96/66/36/568966636.db2.gz UFOHUNCQVQBTQO-UHFFFAOYSA-N 0 0 412.942 4.957 50 0 HJAARN Cc1ccc2c(c1)N(CCC(=O)NCc1cccc(Cl)c1)C(=O)c1cccnc1O2 ZINC000015679987 568966994 /nfs/dbraw/zinc/96/69/94/568966994.db2.gz OHXBDQPGAAFYII-UHFFFAOYSA-N 0 0 421.884 4.502 50 0 HJAARN C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Br)cc2)o1 ZINC000007997150 568967637 /nfs/dbraw/zinc/96/76/37/568967637.db2.gz VOCPWQUGJKKGEP-JTQLQIEISA-N 0 0 414.325 4.710 50 0 HJAARN O=C(CCC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1)NCc1cccc(Cl)c1 ZINC000015682045 568968516 /nfs/dbraw/zinc/96/85/16/568968516.db2.gz CAZDAWJZQFZXLB-UHFFFAOYSA-N 0 0 421.928 4.534 50 0 HJAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)CCOc1cc(C)ccc1C ZINC000008071750 568971633 /nfs/dbraw/zinc/97/16/33/568971633.db2.gz BTCJBVLLYNCXCA-UHFFFAOYSA-N 0 0 411.420 4.755 50 0 HJAARN CC(=O)c1ccc(OCCCC(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000008072943 568971712 /nfs/dbraw/zinc/97/17/12/568971712.db2.gz CJTSWOSSEHXYKP-UHFFFAOYSA-N 0 0 419.525 4.509 50 0 HJAARN COc1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 ZINC000008075307 568972287 /nfs/dbraw/zinc/97/22/87/568972287.db2.gz KPCJUPQLROYUSH-UHFFFAOYSA-N 0 0 403.507 4.599 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000008120169 568974443 /nfs/dbraw/zinc/97/44/43/568974443.db2.gz SACJLEAPKZJENF-UHFFFAOYSA-N 0 0 417.340 4.866 50 0 HJAARN Cc1nnc(SCC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)n1C1CC1 ZINC000008129260 568974857 /nfs/dbraw/zinc/97/48/57/568974857.db2.gz ACFICLWHZLHIDF-UHFFFAOYSA-N 0 0 413.572 4.701 50 0 HJAARN COc1ccc([C@@H](CC(=O)Nc2ccc(F)cc2F)N2Cc3ccccc3C2=O)cc1 ZINC000015720920 568976575 /nfs/dbraw/zinc/97/65/75/568976575.db2.gz ZLRDSWDQBZBANU-JOCHJYFZSA-N 0 0 422.431 4.699 50 0 HJAARN O=C(CSc1nc2ccccc2[nH]1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000008134873 568976825 /nfs/dbraw/zinc/97/68/25/568976825.db2.gz MSHRTDQKAKYZFU-MRXNPFEDSA-N 0 0 408.508 4.687 50 0 HJAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1csc(-c2ccccc2)n1 ZINC000008152056 568977571 /nfs/dbraw/zinc/97/75/71/568977571.db2.gz JPODWNCBNJWOTJ-UHFFFAOYSA-N 0 0 405.445 4.899 50 0 HJAARN O=C(COc1ccccc1-c1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000008156161 568977831 /nfs/dbraw/zinc/97/78/31/568977831.db2.gz ZCSDELFGZOTJMB-QFIPXVFZSA-N 0 0 415.489 4.867 50 0 HJAARN O=C(COc1ccccc1-c1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008156160 568977840 /nfs/dbraw/zinc/97/78/40/568977840.db2.gz ZCSDELFGZOTJMB-JOCHJYFZSA-N 0 0 415.489 4.867 50 0 HJAARN COc1ccc(N(Cc2ccc(C(C)C)cc2)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000008166580 568979788 /nfs/dbraw/zinc/97/97/88/568979788.db2.gz UYIIAMQTEINADA-UHFFFAOYSA-N 0 0 414.527 4.819 50 0 HJAARN Clc1ccccc1OCc1nnc(SCc2ccc3c(c2)OCO3)n1C1CC1 ZINC000008183632 568980182 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Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000008230633 568983927 /nfs/dbraw/zinc/98/39/27/568983927.db2.gz HKEZDWJOXFDARK-UHFFFAOYSA-N 0 0 413.836 4.587 50 0 HJAARN Cc1oc2cc(OCC(=O)OCc3ccccc3)ccc2c(=O)c1-c1ccccc1 ZINC000001447914 568985205 /nfs/dbraw/zinc/98/52/05/568985205.db2.gz JGTVKYPORYWTBV-UHFFFAOYSA-N 0 0 400.430 4.891 50 0 HJAARN O=C(NCc1cc(Cl)c2c(c1)OCCCO2)C(c1ccccc1)c1ccccc1 ZINC000008277909 568987093 /nfs/dbraw/zinc/98/70/93/568987093.db2.gz QOYHCJOUFPSLPV-UHFFFAOYSA-N 0 0 407.897 4.950 50 0 HJAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(COc2ccccc2)cc1 ZINC000008285304 568987720 /nfs/dbraw/zinc/98/77/20/568987720.db2.gz LSVYJVGDVKSGRF-UHFFFAOYSA-N 0 0 408.885 4.630 50 0 HJAARN Cc1ccc(C(=O)[C@H](NC(=O)c2ccco2)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000001462069 568988772 /nfs/dbraw/zinc/98/87/72/568988772.db2.gz FWZXTWSBFWKMPK-IBGZPJMESA-N 0 0 403.265 4.946 50 0 HJAARN COc1ccc2c(CC(=O)N[C@@H](c3ccc4c(c3)OCCCO4)C(C)C)coc2c1 ZINC000008315411 568990091 /nfs/dbraw/zinc/99/00/91/568990091.db2.gz AMYQJJBAOBRRRV-XMMPIXPASA-N 0 0 409.482 4.659 50 0 HJAARN CCOC(=O)[C@@H]1C(c2cccs2)=CS[C@H]1NC(=O)CSc1ccc(C)cc1 ZINC000001465494 568990891 /nfs/dbraw/zinc/99/08/91/568990891.db2.gz XPDNGMJBUVLLSK-RTBURBONSA-N 0 0 419.593 4.558 50 0 HJAARN Cc1cc(NC(=O)CSc2nc(C)cc(-c3ccccc3)n2)n(-c2ccccc2)n1 ZINC000008327871 568992516 /nfs/dbraw/zinc/99/25/16/568992516.db2.gz SCZLENYGRNLTOM-UHFFFAOYSA-N 0 0 415.522 4.677 50 0 HJAARN COc1cc(C(=O)Nc2cccc(COc3cccc(F)c3)c2)cc(OC)c1OC ZINC000026013215 568993667 /nfs/dbraw/zinc/99/36/67/568993667.db2.gz OOOFPTDGDQDAIO-UHFFFAOYSA-N 0 0 411.429 4.683 50 0 HJAARN Cc1ccc(C)c(NC(=O)[C@@H](Nc2cccc(C(=O)NC3CC3)c2)c2ccccc2)c1 ZINC000008344596 568994260 /nfs/dbraw/zinc/99/42/60/568994260.db2.gz OWWCJGFPJOPSET-DEOSSOPVSA-N 0 0 413.521 4.988 50 0 HJAARN C[C@H](NC(=O)CSc1nc(-c2ccccc2)cs1)c1ccc2c(c1)OCCO2 ZINC000008362572 568995262 /nfs/dbraw/zinc/99/52/62/568995262.db2.gz NTLQTOOVTCEGJS-AWEZNQCLSA-N 0 0 412.536 4.551 50 0 HJAARN CCc1ccc2c(CC(=O)NCCc3ccc(OC(F)F)c(OC)c3)coc2c1 ZINC000008360592 568995281 /nfs/dbraw/zinc/99/52/81/568995281.db2.gz FIIPYLMYKUHTED-UHFFFAOYSA-N 0 0 403.425 4.507 50 0 HJAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4ccccc4C)cc3)nn2)c(C)c1C ZINC000013009730 568995556 /nfs/dbraw/zinc/99/55/56/568995556.db2.gz AIPUVIXTVDOSOS-UHFFFAOYSA-N 0 0 412.497 4.892 50 0 HJAARN COC(=O)c1ccc(CSc2nnc(C(C)C)c3cnn(-c4ccc(C)cc4)c32)o1 ZINC000038488225 568997478 /nfs/dbraw/zinc/99/74/78/568997478.db2.gz MSQHRMOOIALBCM-UHFFFAOYSA-N 0 0 422.510 4.919 50 0 HJAARN Cc1ccc(-c2csc3ncn(Cc4cc(=O)oc5cc(C)ccc45)c(=O)c23)cc1 ZINC000006087489 568998311 /nfs/dbraw/zinc/99/83/11/568998311.db2.gz ZVWQHPMHFQGKPW-UHFFFAOYSA-N 0 0 414.486 4.897 50 0 HJAARN O=C(N[C@H]1CCOc2ccccc21)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000008390872 568998354 /nfs/dbraw/zinc/99/83/54/568998354.db2.gz GWHMQVHJSMYGGN-QFIPXVFZSA-N 0 0 413.452 4.932 50 0 HJAARN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(Cc3ccncc3)cc2)cc1 ZINC000008393330 568998727 /nfs/dbraw/zinc/99/87/27/568998727.db2.gz XDOBTRJVBGBEAS-UHFFFAOYSA-N 0 0 419.550 4.978 50 0 HJAARN COc1cccc(-c2nc(C(=O)NCc3cccnc3)cc3c4ccccc4[nH]c32)c1 ZINC000008394897 568999245 /nfs/dbraw/zinc/99/92/45/568999245.db2.gz ZAZBCANVLIXUSE-UHFFFAOYSA-N 0 0 408.461 4.717 50 0 biogenic HJAARN CCc1cc([C@H](c2ccsc2)N2CCOCC2)c(NC(=O)c2ccco2)s1 ZINC000038546174 569000014 /nfs/dbraw/zinc/00/00/14/569000014.db2.gz ASJBPJZHJSFABQ-SFHVURJKSA-N 0 0 402.541 4.639 50 0 HJAARN O=C(Nc1sc2c(c1[C@@H](c1ccccc1)N1CCOCC1)CCCC2)c1ccco1 ZINC000038546176 569000028 /nfs/dbraw/zinc/00/00/28/569000028.db2.gz FNTHOORXYVBWJB-JOCHJYFZSA-N 0 0 422.550 4.894 50 0 HJAARN CCc1cc([C@@H](c2ccc(C)cc2)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546458 569000143 /nfs/dbraw/zinc/00/01/43/569000143.db2.gz PGDQQRBUKLEEHL-JOCHJYFZSA-N 0 0 423.582 4.801 50 0 HJAARN COC(=O)c1ccc(NC(=O)c2sc(COc3cc(C)ccc3C)nc2C)cc1 ZINC000038548565 569000888 /nfs/dbraw/zinc/00/08/88/569000888.db2.gz XQPFMEYWWVYUGY-UHFFFAOYSA-N 0 0 410.495 4.686 50 0 HJAARN COc1ccc(OC)c(CN(C(=O)c2cc(Br)ccc2Cl)C2CC2)c1 ZINC000026028825 569002294 /nfs/dbraw/zinc/00/22/94/569002294.db2.gz IMZAOFMFBNSNIO-UHFFFAOYSA-N 0 0 424.722 4.925 50 0 HJAARN CC(=O)c1cccc(NC(=O)[C@H](Sc2nnc3n2CCCCC3)c2ccccc2)c1 ZINC000006097059 569001267 /nfs/dbraw/zinc/00/12/67/569001267.db2.gz VPWDFOVABZMNLF-OAQYLSRUSA-N 0 0 420.538 4.679 50 0 HJAARN Cc1cc(C(=O)CSc2nnc(-c3cccnc3)o2)c(C)n1Cc1ccccc1 ZINC000006100341 569001506 /nfs/dbraw/zinc/00/15/06/569001506.db2.gz VJRWIQVZCIKTHA-UHFFFAOYSA-N 0 0 404.495 4.573 50 0 HJAARN CC(C)n1nc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2c1=O ZINC000008428149 569002299 /nfs/dbraw/zinc/00/22/99/569002299.db2.gz WXRQMJYIZIKGIJ-UHFFFAOYSA-N 0 0 409.795 4.902 50 0 HJAARN Cc1sc2ncnc(SCC(=O)N(C)Cc3nc4ccccc4s3)c2c1C ZINC000008428567 569002363 /nfs/dbraw/zinc/00/23/63/569002363.db2.gz PABABPCHLGRXOF-UHFFFAOYSA-N 0 0 414.581 4.669 50 0 HJAARN O=C(NC[C@H](O)c1ccccc1)c1cc2c3ccccc3[nH]c2c(-c2ccccc2)n1 ZINC000006112287 569004810 /nfs/dbraw/zinc/00/48/10/569004810.db2.gz BERBVAKRLZOCFF-QHCPKHFHSA-N 0 0 407.473 4.847 50 0 biogenic HJAARN CSc1ccc(-c2noc(Cn3nc(-c4ccc(C(C)C)cc4)ccc3=O)n2)cc1 ZINC000085644435 569005353 /nfs/dbraw/zinc/00/53/53/569005353.db2.gz WVMRWMAQAJZRMQ-UHFFFAOYSA-N 0 0 418.522 4.854 50 0 HJAARN Cc1ccc(-c2nccc(N3CCC(C(=O)Nc4ccc(Cl)cc4)CC3)n2)cc1 ZINC000085649279 569005610 /nfs/dbraw/zinc/00/56/10/569005610.db2.gz KTTWCRVVXGOSPW-UHFFFAOYSA-N 0 0 406.917 4.961 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)c1csc(-c2cccc(OC)c2OC)n1 ZINC000012821659 569005899 /nfs/dbraw/zinc/00/58/99/569005899.db2.gz HKTXVDBDZHAVTK-UHFFFAOYSA-N 0 0 404.875 4.742 50 0 HJAARN Cc1cc(Nc2cccc(C(F)(F)F)c2)n2nc(Cc3cccc(F)c3)nc2n1 ZINC000015785842 569006715 /nfs/dbraw/zinc/00/67/15/569006715.db2.gz FMKXOKVNXRSTPF-UHFFFAOYSA-N 0 0 401.367 4.925 50 0 HJAARN COc1ccc(Cl)cc1N1C(=O)[C@@H]2CCCN2[C@H]1c1cccc(Br)c1 ZINC000085988180 569010030 /nfs/dbraw/zinc/01/00/30/569010030.db2.gz GUTAVPUCTWDOEM-MAUKXSAKSA-N 0 0 421.722 4.621 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1sccc1-c1ccccc1 ZINC000012851481 569010450 /nfs/dbraw/zinc/01/04/50/569010450.db2.gz NTFPKZQNKBXNNZ-UHFFFAOYSA-N 0 0 414.914 4.788 50 0 HJAARN COc1cccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cccc(Br)c2)c1 ZINC000015822044 569010797 /nfs/dbraw/zinc/01/07/97/569010797.db2.gz FOSGOCBBJBRBSF-LJQANCHMSA-N 0 0 410.271 4.624 50 0 HJAARN Cc1cc(NC(=O)COc2cc3ccccc3cc2C(=O)Nc2ccccc2C)no1 ZINC000006127400 569010909 /nfs/dbraw/zinc/01/09/09/569010909.db2.gz RYOLAGPABMZBAY-UHFFFAOYSA-N 0 0 415.449 4.714 50 0 HJAARN COc1cn(CC(=O)Nc2c(C)cc(C)cc2C)c(CSc2ccccc2)cc1=O ZINC000015824545 569011261 /nfs/dbraw/zinc/01/12/61/569011261.db2.gz KEBSOSYXSYVEFQ-UHFFFAOYSA-N 0 0 422.550 4.713 50 0 HJAARN Cc1oc(-c2ccccc2C)nc1CN1CCN(C(=O)Nc2cccc(C)c2C)CC1 ZINC000015825925 569011438 /nfs/dbraw/zinc/01/14/38/569011438.db2.gz QWYAIYUCATXUDV-UHFFFAOYSA-N 0 0 418.541 4.925 50 0 HJAARN CCOC(=O)c1cc(OCC(=O)Nc2ccc(CC)cc2)c2cc(Cl)ccc2n1 ZINC000015829019 569011796 /nfs/dbraw/zinc/01/17/96/569011796.db2.gz IZTNGTJQNIEIJW-UHFFFAOYSA-N 0 0 412.873 4.645 50 0 HJAARN COc1cc([C@H]2CC(c3ccccc3)=NN2c2nc(C)cs2)cc(OC)c1OC ZINC000015830449 569011996 /nfs/dbraw/zinc/01/19/96/569011996.db2.gz ZPPXAOLTGJLEJV-GOSISDBHSA-N 0 0 409.511 4.833 50 0 HJAARN Cc1ccc(S/C=C(/NC(=O)C(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000638686 569012401 /nfs/dbraw/zinc/01/24/01/569012401.db2.gz QKSOVFHNKVLKOP-RGEXLXHISA-N 0 0 403.569 4.831 50 0 HJAARN CCCCCCc1ccc(NC(=S)N[C@@H](NC=O)C(Cl)(Cl)Cl)cc1 ZINC000003137432 569012484 /nfs/dbraw/zinc/01/24/84/569012484.db2.gz JJBLROCTOSHVMT-CQSZACIVSA-N 0 0 410.798 4.538 50 0 HJAARN Cc1ccc(C)c(OCCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)c1 ZINC000015833695 569012739 /nfs/dbraw/zinc/01/27/39/569012739.db2.gz NMMOAEAQQWGFLV-UHFFFAOYSA-N 0 0 417.509 4.987 50 0 HJAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@@]21C ZINC000248257368 569013380 /nfs/dbraw/zinc/01/33/80/569013380.db2.gz VCWDOHJFKGOMRJ-DKPJIIDDSA-N 0 0 402.575 4.983 50 0 HJAARN O=C(Nc1ccccc1N1CCCC1=O)c1ccccc1OCc1ccc(F)cc1 ZINC000012874090 569013435 /nfs/dbraw/zinc/01/34/35/569013435.db2.gz VUTZIPAIBMZLJJ-UHFFFAOYSA-N 0 0 404.441 4.784 50 0 HJAARN O=C(Nc1c2ccccc2oc1[C@@H](c1ccccc1F)N1CCOCC1)c1ccco1 ZINC000015859329 569015095 /nfs/dbraw/zinc/01/50/95/569015095.db2.gz HIHGODMVLJOHLN-JOCHJYFZSA-N 0 0 420.440 4.839 50 0 HJAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccc(C)cc2)C(=O)Cc2ccccc2)c1C ZINC000015862451 569015836 /nfs/dbraw/zinc/01/58/36/569015836.db2.gz MBSWTHWHVDBLSQ-UHFFFAOYSA-N 0 0 418.537 4.888 50 0 HJAARN COc1ccc(NC(=O)Cn2c(-c3nnc(CC(C)C)o3)cc3ccccc32)cc1 ZINC000015881566 569018612 /nfs/dbraw/zinc/01/86/12/569018612.db2.gz MALHJUHLKWMSIL-UHFFFAOYSA-N 0 0 404.470 4.537 50 0 HJAARN Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000015881842 569018668 /nfs/dbraw/zinc/01/86/68/569018668.db2.gz CSNQYODESRMOBX-UHFFFAOYSA-N 0 0 422.531 4.684 50 0 HJAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 ZINC000015883221 569019294 /nfs/dbraw/zinc/01/92/94/569019294.db2.gz BHONTPCPKLWBHQ-UHFFFAOYSA-N 0 0 406.791 4.821 50 0 HJAARN CCCN(Cc1ccc(C)cc1)C(=O)Cc1csc(NC(=O)c2ccccc2)n1 ZINC000012887413 569019665 /nfs/dbraw/zinc/01/96/65/569019665.db2.gz OGSHKCVXTCFYOE-UHFFFAOYSA-N 0 0 407.539 4.685 50 0 HJAARN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1cc2c(s1)CCCCCC2 ZINC000012893911 569020101 /nfs/dbraw/zinc/02/01/01/569020101.db2.gz GMAPVDHBRFQMDU-HNNXBMFYSA-N 0 0 405.585 4.644 50 0 HJAARN Cc1cc(C)cc(NC(=O)[C@H](NCC(=O)Nc2c(C)cccc2C)c2ccccc2)c1 ZINC000012905904 569021188 /nfs/dbraw/zinc/02/11/88/569021188.db2.gz GHNRRNNQMKTEGI-RUZDIDTESA-N 0 0 415.537 4.828 50 0 HJAARN COc1ccc(NC(=O)C2(c3cccc(Br)c3)CCCC2)c(OC)c1 ZINC000012912624 569021912 /nfs/dbraw/zinc/02/19/12/569021912.db2.gz VWOYEHYMXFAOCV-UHFFFAOYSA-N 0 0 404.304 4.917 50 0 HJAARN Cc1cc(C)c(C(=O)OCc2csc(CC(=O)Nc3ccccc3C)n2)c(C)c1 ZINC000015934654 569023025 /nfs/dbraw/zinc/02/30/25/569023025.db2.gz FOJPBOPSCUQFAI-UHFFFAOYSA-N 0 0 408.523 4.915 50 0 HJAARN CN(CCC(=O)Nc1cccc(Cl)c1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000012925140 569023620 /nfs/dbraw/zinc/02/36/20/569023620.db2.gz XNKZTVPTTPWEJW-UHFFFAOYSA-N 0 0 414.720 4.546 50 0 HJAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)cc1 ZINC000012930262 569024128 /nfs/dbraw/zinc/02/41/28/569024128.db2.gz YHKNOCAUJIQGOA-ZDUSSCGKSA-N 0 0 406.404 4.768 50 0 HJAARN Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccco1 ZINC000015976853 569025146 /nfs/dbraw/zinc/02/51/46/569025146.db2.gz RRGSRVRGVGICSP-UHFFFAOYSA-N 0 0 402.372 4.789 50 0 HJAARN Cc1cc(Sc2nnc(Cc3cccs3)n2CCc2ccccc2)nc(C)n1 ZINC000012933578 569025697 /nfs/dbraw/zinc/02/56/97/569025697.db2.gz PGBOUVSEYNWGJM-UHFFFAOYSA-N 0 0 407.568 4.731 50 0 HJAARN CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C ZINC000016031299 569027900 /nfs/dbraw/zinc/02/79/00/569027900.db2.gz DKFSENSUQISSIR-KZULUSFZSA-N 0 0 417.502 4.563 50 0 HJAARN C[C@@H](NC(=O)C(=Cc1cccs1)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000016035408 569028037 /nfs/dbraw/zinc/02/80/37/569028037.db2.gz VONGLCNXHWJENU-HDICACEKSA-N 0 0 404.535 4.886 50 0 HJAARN COc1ccc(NC(=O)c2ccc(COc3ccc(-c4nnco4)cc3)cc2)cc1 ZINC000012943056 569028762 /nfs/dbraw/zinc/02/87/62/569028762.db2.gz LBCWBMIHTICHRY-UHFFFAOYSA-N 0 0 401.422 4.577 50 0 HJAARN Fc1ccc(-c2csc3ncnc(SCc4nnnn4-c4ccccc4)c23)cc1 ZINC000012942493 569028794 /nfs/dbraw/zinc/02/87/94/569028794.db2.gz XZSLVYRJOWIGLC-UHFFFAOYSA-N 0 0 420.498 4.765 50 0 HJAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cccc3c4c([nH]c32)CCCC4)c(C)c1 ZINC000012947270 569029183 /nfs/dbraw/zinc/02/91/83/569029183.db2.gz BYAVIOAFKKCCRF-UHFFFAOYSA-N 0 0 403.526 4.683 50 0 HJAARN CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)N(c2ccccc2)C(C)C)c1 ZINC000016186831 569029709 /nfs/dbraw/zinc/02/97/09/569029709.db2.gz KETCKBTYNDZJTH-UHFFFAOYSA-N 0 0 419.616 4.637 50 0 HJAARN COC(=O)c1ccc(/N=c2\cc(-c3ccc(OC)cc3)oc3ccc(O)cc32)cc1 ZINC000016217384 569029932 /nfs/dbraw/zinc/02/99/32/569029932.db2.gz ZUISORGMPOFCNH-NJNXFGOHSA-N 0 0 401.418 4.833 50 0 biogenic HJAARN C[C@H](NC(=O)CSC1=N[C@H](C(F)(F)F)C[C@@H](c2ccccc2)N1)c1ccccc1 ZINC000020038241 569031048 /nfs/dbraw/zinc/03/10/48/569031048.db2.gz KLTKPYODGQZHHJ-WBAXXEDZSA-N 0 0 421.488 4.619 50 0 HJAARN COc1cc([C@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)nsc32)cc2c1OCO2 ZINC000035324560 569032296 /nfs/dbraw/zinc/03/22/96/569032296.db2.gz OCVONZYWMKOUHI-CYBMUJFWSA-N 0 0 414.870 4.675 50 0 HJAARN Cc1cc(C)n([C@H](CNC(=O)C2c3ccccc3Oc3ccccc32)c2ccco2)n1 ZINC000575613171 569032622 /nfs/dbraw/zinc/03/26/22/569032622.db2.gz FNXFNBJLASGZOT-HXUWFJFHSA-N 0 0 413.477 4.736 50 0 HJAARN COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CCCC[C@H]4C)c3N2)c1 ZINC000000884206 569033030 /nfs/dbraw/zinc/03/30/30/569033030.db2.gz TYPHZDMKCNQLCF-BVGQSLNGSA-N 0 0 422.451 4.567 50 0 HJAARN Cc1ccc(CN2C[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1 ZINC000006215445 569033341 /nfs/dbraw/zinc/03/33/41/569033341.db2.gz WRVLZXRFKQXUGV-HXUWFJFHSA-N 0 0 400.478 4.775 50 0 HJAARN Cc1ccc([C@H](C)NC(=O)C2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)cc1 ZINC000035398460 569035149 /nfs/dbraw/zinc/03/51/49/569035149.db2.gz XAJXWHFMRGMGMC-SFHVURJKSA-N 0 0 418.516 4.685 50 0 HJAARN Cc1ccc(-c2ccc(N3CCC(C(=O)N[C@H](C)c4ccc(C)cc4)CC3)nn2)cc1 ZINC000035398525 569035198 /nfs/dbraw/zinc/03/51/98/569035198.db2.gz CLZQJNXCASXIFZ-HXUWFJFHSA-N 0 0 414.553 4.854 50 0 HJAARN Cc1ccc(-c2ccc(N3CCC(C(=O)Nc4cccc(Cl)c4)CC3)nn2)cc1 ZINC000035398497 569035232 /nfs/dbraw/zinc/03/52/32/569035232.db2.gz JCUFFPXALNEYJZ-UHFFFAOYSA-N 0 0 406.917 4.961 50 0 HJAARN O=c1c2c(ncn1Cc1ccccc1)c1cc(F)ccc1n2Cc1cccc(F)c1 ZINC000035400314 569035414 /nfs/dbraw/zinc/03/54/14/569035414.db2.gz MNUBSQJTRVKFTE-UHFFFAOYSA-N 0 0 401.416 4.726 50 0 HJAARN O=C(CN1CCc2ccccc2C1)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000035414144 569036137 /nfs/dbraw/zinc/03/61/37/569036137.db2.gz VIBIWNPZPSAQJT-IBGZPJMESA-N 0 0 407.564 4.546 50 0 HJAARN Cc1[nH]c2ccccc2c1C(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000035441151 569037085 /nfs/dbraw/zinc/03/70/85/569037085.db2.gz KFPAZIPBNUELPO-UHFFFAOYSA-N 0 0 402.325 4.788 50 0 HJAARN COc1cc(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)cc(OC)c1 ZINC000035478586 569038554 /nfs/dbraw/zinc/03/85/54/569038554.db2.gz IFALPZJLSJXKRH-UHFFFAOYSA-N 0 0 409.461 4.761 50 0 HJAARN CCCCCCn1nc(C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2c1=O ZINC000006303160 569038682 /nfs/dbraw/zinc/03/86/82/569038682.db2.gz DJBCVFBKMSGMES-UHFFFAOYSA-N 0 0 413.905 4.891 50 0 HJAARN COc1ccc(-c2nc(CSc3nnc(NC(C)C)s3)cs2)cc1OC ZINC000009921284 569039272 /nfs/dbraw/zinc/03/92/72/569039272.db2.gz LGABWQGOFJTLKR-UHFFFAOYSA-N 0 0 408.574 4.791 50 0 HJAARN Cc1ccc(-c2nc3ccccc3n2CCNS(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000035481665 569039455 /nfs/dbraw/zinc/03/94/55/569039455.db2.gz IOTISXVJBQOQOM-UHFFFAOYSA-N 0 0 419.550 4.607 50 0 HJAARN O=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccccc1Br ZINC000006315041 569040201 /nfs/dbraw/zinc/04/02/01/569040201.db2.gz QSQWRPNEGCXMDM-UHFFFAOYSA-N 0 0 402.313 4.517 50 0 HJAARN CCC(CC)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000006317898 569040259 /nfs/dbraw/zinc/04/02/59/569040259.db2.gz YGGDIEJKZZMYSG-UHFFFAOYSA-N 0 0 414.962 4.985 50 0 HJAARN COc1ccc(OC)c([C@@H]2SCCN2C(=O)Nc2ccc(Br)cc2)c1 ZINC000035505975 569040930 /nfs/dbraw/zinc/04/09/30/569040930.db2.gz FWGNQFLJGAGOJM-KRWDZBQOSA-N 0 0 423.332 4.746 50 0 HJAARN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(Cc1ccc(C(=O)Nc3ccccc3)cc1)C2=O ZINC000012975774 569042073 /nfs/dbraw/zinc/04/20/73/569042073.db2.gz XAVWJXQTTYTAGF-SSOJOUAXSA-N 0 0 419.525 4.576 50 0 HJAARN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(Cc1ccc(C(=O)Nc3ccccc3)cc1)C2=O ZINC000012975775 569042076 /nfs/dbraw/zinc/04/20/76/569042076.db2.gz XAVWJXQTTYTAGF-NSYGIPOTSA-N 0 0 419.525 4.576 50 0 HJAARN CCOc1ccccc1NC=C1c2ccccc2C(=O)N(c2cccc(OC)c2)C1=O ZINC000102931998 569042203 /nfs/dbraw/zinc/04/22/03/569042203.db2.gz SOUXIDLRXDIESM-LTGZKZEYSA-N 0 0 414.461 4.734 50 0 HJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(CSc2ccccn2)CC1 ZINC000090608036 569042215 /nfs/dbraw/zinc/04/22/15/569042215.db2.gz ZIENOKIEWKZDNE-UHFFFAOYSA-N 0 0 404.963 4.923 50 0 HJAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C)c3C)C2)c2ccccc12 ZINC000012978034 569042468 /nfs/dbraw/zinc/04/24/68/569042468.db2.gz VZEQQLONMIGGEF-IBGZPJMESA-N 0 0 416.521 4.956 50 0 HJAARN O=C(Cn1c(=O)c(-c2ccccc2)nc2ccccc21)Nc1ccccc1C(F)(F)F ZINC000090610102 569042567 /nfs/dbraw/zinc/04/25/67/569042567.db2.gz LNNGUKYRZHXPQR-UHFFFAOYSA-N 0 0 423.394 4.721 50 0 HJAARN O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(C2CCCCC2)cc1 ZINC000006344218 569044051 /nfs/dbraw/zinc/04/40/51/569044051.db2.gz YDXCUESXOOBTLL-QHCPKHFHSA-N 0 0 419.521 4.509 50 0 HJAARN COc1ccccc1NC(=O)N(Cc1ccccc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000035529406 569044173 /nfs/dbraw/zinc/04/41/73/569044173.db2.gz DOBMZJGEEVGTGC-NRFANRHFSA-N 0 0 415.493 4.923 50 0 HJAARN COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(Br)o1 ZINC000006808143 569044516 /nfs/dbraw/zinc/04/45/16/569044516.db2.gz GLLCACJSGJQRCO-UHFFFAOYSA-N 0 0 406.257 4.810 50 0 HJAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557581 569044827 /nfs/dbraw/zinc/04/48/27/569044827.db2.gz HAWQLLFRNCIMMH-ZDUSSCGKSA-N 0 0 415.540 4.596 50 0 HJAARN CCOc1ccc(C(=O)Nc2ccc(-n3nncc3-c3ccc(OC)cc3)cc2)cc1 ZINC000006355161 569045187 /nfs/dbraw/zinc/04/51/87/569045187.db2.gz DMORQIFUUIZSGQ-UHFFFAOYSA-N 0 0 414.465 4.594 50 0 aggregator HJAARN CSc1cccc(NC(=O)Nc2ccc(Nc3cc(-n4cccn4)ncn3)cc2)c1 ZINC000035597395 569045672 /nfs/dbraw/zinc/04/56/72/569045672.db2.gz CLVHXPAXSPDRBG-UHFFFAOYSA-N 0 0 417.498 4.772 50 0 HJAARN C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000006384090 569046263 /nfs/dbraw/zinc/04/62/63/569046263.db2.gz BSNNTNMUXMWUGO-GOSISDBHSA-N 0 0 412.489 4.548 50 0 HJAARN COc1ccc(-n2nnnc2C2(Nc3cccc(C(F)(F)F)c3)CCCCC2)cc1 ZINC000035622774 569046682 /nfs/dbraw/zinc/04/66/82/569046682.db2.gz VVSADULLUZWXPI-UHFFFAOYSA-N 0 0 417.435 4.961 50 0 HJAARN COc1cc(/C=C/C(=O)N(C)Cc2ccccc2)ccc1OCc1c(C)noc1C ZINC000026993906 569047357 /nfs/dbraw/zinc/04/73/57/569047357.db2.gz DQUCYVAZJXTLOX-ACCUITESSA-N 0 0 406.482 4.551 50 0 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50 0 HJAARN COc1ccc(C)cc1NC(=O)N1CCN(Cc2ccc(C)cc2)c2ncccc21 ZINC000064929626 569123913 /nfs/dbraw/zinc/12/39/13/569123913.db2.gz PRFJGBWGOCUJNU-UHFFFAOYSA-N 0 0 402.498 4.766 50 0 HJAARN COc1ccccc1NC(=O)C(=Cc1ccccc1C)C(=O)Nc1ccccc1OC ZINC000006790564 569124297 /nfs/dbraw/zinc/12/42/97/569124297.db2.gz YTNSNQWJIWMIGW-UHFFFAOYSA-N 0 0 416.477 4.673 50 0 HJAARN Cc1nnc2c(NCc3ccc(F)cc3)nc3ccc(C(=O)c4ccccc4)cc3n12 ZINC000006792558 569124707 /nfs/dbraw/zinc/12/47/07/569124707.db2.gz TYCBPLPTTCAOPU-UHFFFAOYSA-N 0 0 411.440 4.568 50 0 HJAARN Cc1nnc2c(N[C@@H](C)c3ccccc3)nc3ccc(C(=O)c4ccccc4)cc3n12 ZINC000006792519 569124753 /nfs/dbraw/zinc/12/47/53/569124753.db2.gz LWANCFNSUMVISE-INIZCTEOSA-N 0 0 407.477 4.990 50 0 HJAARN COc1ccc(CNC(=O)c2oc3ccc4c(c3c2C)C(=O)CC2(CCCC2)O4)cc1 ZINC000006793603 569124841 /nfs/dbraw/zinc/12/48/41/569124841.db2.gz FRAPAGYHLHMVEN-UHFFFAOYSA-N 0 0 419.477 4.958 50 0 biogenic HJAARN O=C(CCCN1c2cccnc2Sc2ccccc2C1=O)NC1CCCCCC1 ZINC000006797057 569125205 /nfs/dbraw/zinc/12/52/05/569125205.db2.gz KRDKDWUNFLKDTC-UHFFFAOYSA-N 0 0 409.555 4.812 50 0 HJAARN Cc1nn([C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)c(=O)c2c3ccccc3sc21 ZINC000006799168 569126249 /nfs/dbraw/zinc/12/62/49/569126249.db2.gz FKZGAODZBMCKHF-WBVHZDCISA-N 0 0 419.550 4.618 50 0 HJAARN CC(C)c1nnc2c(SCC(=O)Nc3cccc(Cl)c3)nc3ccccc3n21 ZINC000064949188 569129027 /nfs/dbraw/zinc/12/90/27/569129027.db2.gz XMGVJTRKKKJYJE-UHFFFAOYSA-N 0 0 411.918 4.785 50 0 HJAARN CCCN(C)c1cc(CC)nc(SCc2ccc(C(=O)NCc3ccco3)cc2)n1 ZINC000006802011 569129607 /nfs/dbraw/zinc/12/96/07/569129607.db2.gz SOMUVJQRTISHMF-UHFFFAOYSA-N 0 0 424.570 4.701 50 0 HJAARN CCc1ccc(-n2nc(-c3nc(-c4ccc(C)cc4)no3)c3ccccc3c2=O)cc1 ZINC000064950062 569129727 /nfs/dbraw/zinc/12/97/27/569129727.db2.gz PXMHGKKFVAUDCX-UHFFFAOYSA-N 0 0 408.461 4.974 50 0 HJAARN O=C([O-])c1c(C[NH2+]Cc2ccccn2)c2ccccc2n1Cc1ccccc1Cl ZINC000006803680 569130367 /nfs/dbraw/zinc/13/03/67/569130367.db2.gz HVSBAFRZJKOWPO-UHFFFAOYSA-N 0 0 405.885 4.726 50 0 HJAARN Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(Cc1ccco1)C[C@@H](C)O ZINC000036308362 569130435 /nfs/dbraw/zinc/13/04/35/569130435.db2.gz QIKPVXQBYVCMJD-LJQANCHMSA-N 0 0 417.509 4.949 50 0 HJAARN CCOc1ccc(NC(=O)Cc2c(C)nc3c(-c4ccccc4)c(C)nn3c2C)cc1 ZINC000006808878 569132977 /nfs/dbraw/zinc/13/29/77/569132977.db2.gz ACCOBCCEOCSPFC-UHFFFAOYSA-N 0 0 414.509 4.901 50 0 HJAARN COc1cccc(Cn2ncc3ccc(C(=O)NCc4ccc(SC)cc4)cc32)c1 ZINC000064955788 569133751 /nfs/dbraw/zinc/13/37/51/569133751.db2.gz MKQSUROLKKXKQC-UHFFFAOYSA-N 0 0 417.534 4.745 50 0 HJAARN CCOC(=O)c1nc2onc(-c3ccc(F)cc3)c2c(NCc2ccc(CC)cc2)n1 ZINC000064960345 569135486 /nfs/dbraw/zinc/13/54/86/569135486.db2.gz MVAFBRCREMKVMP-UHFFFAOYSA-N 0 0 420.444 4.775 50 0 HJAARN CC(C)n1c(=O)c2oc3ccccc3c2nc1SCC(=O)Nc1cccc(F)c1 ZINC000006819944 569139454 /nfs/dbraw/zinc/13/94/54/569139454.db2.gz QRGRKUNMMNBAJR-UHFFFAOYSA-N 0 0 411.458 4.594 50 0 HJAARN COc1cccc(-n2cc(C(=O)Oc3cccc(Cl)c3)c3ccccc3c2=O)c1 ZINC000064977196 569140053 /nfs/dbraw/zinc/14/00/53/569140053.db2.gz SODUAHKAYNNVSE-UHFFFAOYSA-N 0 0 405.837 4.872 50 0 HJAARN Cc1ccc(SCC(=O)Nc2nn3c(nnc3-c3cccc(Cl)c3)s2)cc1 ZINC000064980459 569141334 /nfs/dbraw/zinc/14/13/34/569141334.db2.gz MLIQFBLWLAHFPD-UHFFFAOYSA-N 0 0 415.931 4.545 50 0 HJAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(-c2cc(N3CCCCC3)ncn2)cc1 ZINC000064989399 569145887 /nfs/dbraw/zinc/14/58/87/569145887.db2.gz ADLUXQITBLCSEX-HXUWFJFHSA-N 0 0 414.553 4.885 50 0 HJAARN O=C(NCc1ccccc1Cl)c1ccc(-c2cc(N3CCCCC3)ncn2)cc1 ZINC000064989391 569145906 /nfs/dbraw/zinc/14/59/06/569145906.db2.gz RBQUIPRCDJHYAN-UHFFFAOYSA-N 0 0 406.917 4.717 50 0 HJAARN O=C(NCc1ccccc1Cl)c1cccc(-c2cc(N3CCCCC3)ncn2)c1 ZINC000064989594 569146087 /nfs/dbraw/zinc/14/60/87/569146087.db2.gz MBVQZXNVISNMBI-UHFFFAOYSA-N 0 0 406.917 4.717 50 0 HJAARN COc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@@H](C)C3)cc1 ZINC000064990545 569146546 /nfs/dbraw/zinc/14/65/46/569146546.db2.gz FXMDRCMSYHDBFA-KRWDZBQOSA-N 0 0 415.493 4.608 50 0 HJAARN Cc1ccc(CNC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)[C@H](C)C3)cc1 ZINC000064990623 569146557 /nfs/dbraw/zinc/14/65/57/569146557.db2.gz VOUQHARDKDLNTB-LJQANCHMSA-N 0 0 413.521 4.586 50 0 HJAARN COc1ccccc1NC(=O)NCc1ccc2c(c1)N(C(=O)c1cccc(C)c1)CC2 ZINC000064990817 569146655 /nfs/dbraw/zinc/14/66/55/569146655.db2.gz YMGVTOZYFGWKFV-UHFFFAOYSA-N 0 0 415.493 4.528 50 0 HJAARN COc1cc([C@H]2CC(=O)Nc3c2ncn3-c2ccc(Cl)cc2)cc(OC)c1OC ZINC000036354258 569147894 /nfs/dbraw/zinc/14/78/94/569147894.db2.gz BFHBQTCTXLLQFT-OAHLLOKOSA-N 0 0 413.861 4.675 50 0 HJAARN COC(=O)[C@H](C)Sc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1C(C)C ZINC000006831969 569148047 /nfs/dbraw/zinc/14/80/47/569148047.db2.gz LSALULZIZOZTCV-HNNXBMFYSA-N 0 0 411.527 4.720 50 0 HJAARN CCCCNC(=O)N1CCN(c2nc(-c3cccc(C)c3)nc(C)c2C(C)C)CC1 ZINC000006834550 569148699 /nfs/dbraw/zinc/14/86/99/569148699.db2.gz CUHDSSSWFPURAH-UHFFFAOYSA-N 0 0 409.578 4.516 50 0 HJAARN COc1cccc(-n2cnc3c2NC(=O)C[C@@H]3c2ccc(OC(C)C)c(OC)c2)c1 ZINC000036358379 569149691 /nfs/dbraw/zinc/14/96/91/569149691.db2.gz PKKTUEYTEVZHFG-GOSISDBHSA-N 0 0 407.470 4.800 50 0 HJAARN CCCCNc1nnc(SCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)s1 ZINC000006838897 569150087 /nfs/dbraw/zinc/15/00/87/569150087.db2.gz KPYSFDIQPPQGMB-XXWNAHEMSA-N 0 0 408.637 4.563 50 0 HJAARN Cc1cccc(NC(=O)c2c(=O)n(-c3ccc(F)cc3)cc3c2CC(C)(C)CC3=O)c1 ZINC000065000268 569150970 /nfs/dbraw/zinc/15/09/70/569150970.db2.gz DJDAIPINEOWJHV-UHFFFAOYSA-N 0 0 418.468 4.692 50 0 HJAARN Cc1cc(C)n(CCCNC(=O)c2cc3occc3n2Cc2ccccc2Cl)n1 ZINC000036360232 569151354 /nfs/dbraw/zinc/15/13/54/569151354.db2.gz BGMDQBWULLKUGK-UHFFFAOYSA-N 0 0 410.905 4.569 50 0 HJAARN O=S(=O)(c1ccc(-c2cnc(C3CCC3)o2)s1)N1CCCc2ccccc21 ZINC000065004354 569152447 /nfs/dbraw/zinc/15/24/47/569152447.db2.gz MUARPHIBQGOHEN-UHFFFAOYSA-N 0 0 400.525 4.812 50 0 HJAARN O=C([C@@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2)N1CCCC1 ZINC000036367248 569152868 /nfs/dbraw/zinc/15/28/68/569152868.db2.gz YTQVZVXJVXCBJM-QFIPXVFZSA-N 0 0 406.501 4.895 50 0 HJAARN CC[C@@H]1CN(C(=O)N2CCC(C(=O)Nc3cc(C)cc(C)c3)CC2)c2ccccc2O1 ZINC000006846585 569153657 /nfs/dbraw/zinc/15/36/57/569153657.db2.gz MGKZGXKWCBUFBA-OAQYLSRUSA-N 0 0 421.541 4.752 50 0 HJAARN Cc1[nH]c2ccccc2c1CC(=O)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000036370096 569153874 /nfs/dbraw/zinc/15/38/74/569153874.db2.gz JXFFBVOFGPUAHL-UHFFFAOYSA-N 0 0 422.326 4.848 50 0 biogenic HJAARN CCCCC(=O)Nc1ccc(OCc2cc(C(=O)NC3CCCCCC3)no2)cc1 ZINC000065027184 569156000 /nfs/dbraw/zinc/15/60/00/569156000.db2.gz CWBPBWFAHTUMKT-UHFFFAOYSA-N 0 0 413.518 4.835 50 0 HJAARN O=C(NCc1ccccc1Cl)c1nc2c3ccccc3oc2c(N2CCCCC2)n1 ZINC000065024998 569156067 /nfs/dbraw/zinc/15/60/67/569156067.db2.gz ALCOHMPYUNWMBT-UHFFFAOYSA-N 0 0 420.900 4.950 50 0 HJAARN CC(C)c1ccc(CNC(=O)c2cccc(-c3cnc(N4CCCC4)nc3)c2)cc1 ZINC000065025701 569156397 /nfs/dbraw/zinc/15/63/97/569156397.db2.gz VTTNCVQYTRKXPV-UHFFFAOYSA-N 0 0 400.526 4.797 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)Cn1cccc1-c1nnc(-c2ccccc2)o1 ZINC000065035661 569158448 /nfs/dbraw/zinc/15/84/48/569158448.db2.gz FKCRRRPKPLEJNW-UHFFFAOYSA-N 0 0 408.845 4.506 50 0 HJAARN Cc1ccc(NC(=O)Cn2cccc2-c2nnc(C3CCC3)o2)c(Br)c1 ZINC000065035814 569158458 /nfs/dbraw/zinc/15/84/58/569158458.db2.gz QUDLKBWVAKREDG-UHFFFAOYSA-N 0 0 415.291 4.515 50 0 HJAARN CCCOc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1 ZINC000006864109 569158696 /nfs/dbraw/zinc/15/86/96/569158696.db2.gz GTMYDZUJBGDQEU-UHFFFAOYSA-N 0 0 404.466 4.989 50 0 HJAARN CN(C)c1cc(-c2ccccc2)nc(SCc2cccc(C(=O)N3CCCC3)c2)n1 ZINC000006869071 569159508 /nfs/dbraw/zinc/15/95/08/569159508.db2.gz VVGWLLFLTBLRNQ-UHFFFAOYSA-N 0 0 418.566 4.738 50 0 HJAARN CCNC(=O)c1ccc(CSc2nc(-c3ccccc3)cc(N(CC)CC)n2)o1 ZINC000006868797 569159552 /nfs/dbraw/zinc/15/95/52/569159552.db2.gz DQTHCRRCZKTJMC-UHFFFAOYSA-N 0 0 410.543 4.625 50 0 HJAARN CC1CCN(C(=O)Cn2cc(SCC(=O)Nc3ccccc3)c3ccccc32)CC1 ZINC000006867487 569159908 /nfs/dbraw/zinc/15/99/08/569159908.db2.gz KRNLBYLPFGJFJP-UHFFFAOYSA-N 0 0 421.566 4.631 50 0 HJAARN O=C(c1ccc2cc[nH]c2c1)N1CCCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1 ZINC000169753006 569160376 /nfs/dbraw/zinc/16/03/76/569160376.db2.gz RKJNNWCAWMEVKQ-UHFFFAOYSA-N 0 0 419.916 4.564 50 0 HJAARN CCc1ccc(N2C[C@H](c3noc(-c4ccccc4OC(F)(F)F)n3)CC2=O)cc1 ZINC000169755465 569160501 /nfs/dbraw/zinc/16/05/01/569160501.db2.gz LOVQRBDTGXNFBL-CQSZACIVSA-N 0 0 417.387 4.718 50 0 HJAARN CCCc1cc(=O)n(CC(=O)Nc2cccc(Cl)c2)c(-c2ccc(Cl)cc2)n1 ZINC000169756973 569161210 /nfs/dbraw/zinc/16/12/10/569161210.db2.gz JYTLWCFDDUVMMA-UHFFFAOYSA-N 0 0 416.308 4.808 50 0 HJAARN CCc1c(C)nc(-c2ccc(Cl)cc2)n(CC(=O)Nc2c(C)cccc2C)c1=O ZINC000169756952 569161221 /nfs/dbraw/zinc/16/12/21/569161221.db2.gz UKHHWNGMKZKHER-UHFFFAOYSA-N 0 0 409.917 4.690 50 0 HJAARN O=C(C1CC1)N(Cc1ccc(F)cc1F)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000006871269 569161947 /nfs/dbraw/zinc/16/19/47/569161947.db2.gz OGLMQVVSEWUJMF-INIZCTEOSA-N 0 0 404.844 4.550 50 0 HJAARN CCC(=O)N(Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000006871544 569161956 /nfs/dbraw/zinc/16/19/56/569161956.db2.gz DHRVATYHTZALFE-QGZVFWFLSA-N 0 0 421.324 4.934 50 0 HJAARN O=C(C1CC1)N(Cc1ccc(F)cc1F)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000006871270 569161957 /nfs/dbraw/zinc/16/19/57/569161957.db2.gz OGLMQVVSEWUJMF-MRXNPFEDSA-N 0 0 404.844 4.550 50 0 HJAARN CC(C)NC(=O)N(Cc1ccc(F)cc1F)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000006871690 569162097 /nfs/dbraw/zinc/16/20/97/569162097.db2.gz SRCBFZVPNOYCAH-INIZCTEOSA-N 0 0 421.875 4.731 50 0 HJAARN CCNC(=O)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000006873031 569162389 /nfs/dbraw/zinc/16/23/89/569162389.db2.gz RKWKAUSLDRCHTM-GOSISDBHSA-N 0 0 406.313 4.718 50 0 HJAARN O=C(c1cccc(F)c1)N(Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000006872924 569162395 /nfs/dbraw/zinc/16/23/95/569162395.db2.gz ZWEJGAMKWXUMQP-JOCHJYFZSA-N 0 0 406.432 4.800 50 0 HJAARN Cc1cc(NC(=O)[C@@H](CC(C)C)N2Cc3ccccc3C2=O)ccc1Br ZINC000006874127 569162576 /nfs/dbraw/zinc/16/25/76/569162576.db2.gz HGYLESPPPABWBP-LJQANCHMSA-N 0 0 415.331 4.767 50 0 HJAARN 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CCOC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000013361453 569255301 /nfs/dbraw/zinc/25/53/01/569255301.db2.gz ZFVNCIMEWULGEX-NRWITYIWSA-N 0 0 420.634 4.956 50 0 biogenic HJAARN Cc1cccc(NC(=O)[C@H](Sc2ncnc3[nH]cnc32)c2ccccc2)c1Cl ZINC000013572954 569256071 /nfs/dbraw/zinc/25/60/71/569256071.db2.gz QWEVGQDRKBYEAQ-QGZVFWFLSA-N 0 0 409.902 4.787 50 0 HJAARN Cc1ccc(CNC(=O)Cn2c(-c3nnc(CC(C)C)o3)cc3ccccc32)cc1 ZINC000013961856 569258309 /nfs/dbraw/zinc/25/83/09/569258309.db2.gz SVYVBJWIDXJLCU-UHFFFAOYSA-N 0 0 402.498 4.515 50 0 HJAARN CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)Nc2cccc(COCC3CC3)c2)C1 ZINC000089661868 569262128 /nfs/dbraw/zinc/26/21/28/569262128.db2.gz JIOOYPQMCNXFHM-KRWDZBQOSA-N 0 0 402.535 4.589 50 0 HJAARN COc1ccc(OC)c(NC=C2c3ccccc3C(=O)N(c3cccc(C)c3)C2=O)c1 ZINC000016745575 569262212 /nfs/dbraw/zinc/26/22/12/569262212.db2.gz UZBGIHMQFCXKDC-QNGOZBTKSA-N 0 0 414.461 4.652 50 0 HJAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000016838126 569263897 /nfs/dbraw/zinc/26/38/97/569263897.db2.gz BNHSZNBSPFCAIQ-OAQYLSRUSA-N 0 0 414.571 4.690 50 0 HJAARN CC(C)Cn1c(=O)c2sccc2nc1SCc1nc(-c2ccc(F)cc2)no1 ZINC000016843327 569264864 /nfs/dbraw/zinc/26/48/64/569264864.db2.gz TZPMTASQYVBUIY-UHFFFAOYSA-N 0 0 416.503 4.595 50 0 HJAARN Cc1ccc(NC(=O)c2ccccc2)c(NC(=O)CC[C@@H]2COc3ccccc3O2)c1 ZINC000016856845 569266108 /nfs/dbraw/zinc/26/61/08/569266108.db2.gz BZTHLPWJEBAAJF-LJQANCHMSA-N 0 0 416.477 4.806 50 0 HJAARN O=C([C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CCC[C@H]1c1cccs1 ZINC000089799966 569266110 /nfs/dbraw/zinc/26/61/10/569266110.db2.gz XUYXTOPJCSQAJQ-BBRMVZONSA-N 0 0 409.338 4.772 50 0 HJAARN FC(F)(F)c1cc(NC[C@@H]2CN(Cc3ccccc3)CCO2)c2ccccc2n1 ZINC000089834966 569266806 /nfs/dbraw/zinc/26/68/06/569266806.db2.gz JGASLBUECYECJQ-QGZVFWFLSA-N 0 0 401.432 4.567 50 0 HJAARN Cc1nc(C)c(-c2ccc(SCC(=O)Nc3ccccc3C(F)(F)F)nn2)s1 ZINC000016991871 569270745 /nfs/dbraw/zinc/27/07/45/569270745.db2.gz BKEKAMSNSOKMBY-UHFFFAOYSA-N 0 0 424.473 4.967 50 0 HJAARN Cc1ccccc1C(=O)N1CCN(c2cc(Oc3ccc(Cl)c(C)c3)ncn2)CC1 ZINC000037356060 569272171 /nfs/dbraw/zinc/27/21/71/569272171.db2.gz WDYQUYFIXRRXRN-UHFFFAOYSA-N 0 0 422.916 4.502 50 0 HJAARN CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000000937752 569276863 /nfs/dbraw/zinc/27/68/63/569276863.db2.gz SLBQNOKJCUVIRW-INIZCTEOSA-N 0 0 422.456 4.883 50 0 HJAARN Cc1ccc(NC(=O)CCC(=O)OCc2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000001049500 569276962 /nfs/dbraw/zinc/27/69/62/569276962.db2.gz QFUQRSGWOLUUGQ-UHFFFAOYSA-N 0 0 401.462 4.688 50 0 HJAARN CC[C@@H]1CCCCN1C(=O)c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F ZINC000001061186 569277193 /nfs/dbraw/zinc/27/71/93/569277193.db2.gz KWOAOBFQMJZBSZ-GFCCVEGCSA-N 0 0 408.449 4.881 50 0 HJAARN O=C(NCc1cccs1)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000001062172 569277226 /nfs/dbraw/zinc/27/72/26/569277226.db2.gz HAQFNNSPIUYCPR-JKSUJKDBSA-N 0 0 406.433 4.535 50 0 HJAARN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000001122431 569277290 /nfs/dbraw/zinc/27/72/90/569277290.db2.gz IIFPGXACEPYUHW-NYYWCZLTSA-N 0 0 417.303 4.704 50 0 HJAARN Nc1c2c(nn1-c1cccc(F)c1)nc(NCC1CC1)nc2-c1cccc(Cl)c1 ZINC000037358983 569277474 /nfs/dbraw/zinc/27/74/74/569277474.db2.gz TZZQOCICXGPSTP-UHFFFAOYSA-N 0 0 408.868 4.679 50 0 HJAARN CC(=O)Nc1ccccc1C(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000002876998 569278446 /nfs/dbraw/zinc/27/84/46/569278446.db2.gz NKRCHVYJDAOEKN-UHFFFAOYSA-N 0 0 408.841 4.912 50 0 HJAARN COc1ccc(Nc2ccccc2C(=O)N[C@H]2CCc3cnn(C(C)C)c3C2)cc1 ZINC000170636206 569278481 /nfs/dbraw/zinc/27/84/81/569278481.db2.gz SUHWJEPZBXIJBW-IBGZPJMESA-N 0 0 404.514 4.504 50 0 HJAARN COc1ccccc1[C@@H](NC(=O)c1cnc2onc(C)c2c1)c1ccccc1Cl ZINC000170638663 569280215 /nfs/dbraw/zinc/28/02/15/569280215.db2.gz ASCLWWKSLRQKIR-FQEVSTJZSA-N 0 0 407.857 4.713 50 0 HJAARN CC(C)(C)OC(=O)NCCCC(=O)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000002096269 569280941 /nfs/dbraw/zinc/28/09/41/569280941.db2.gz GAPKJDLMDLXBDP-UHFFFAOYSA-N 0 0 423.465 4.670 50 0 biogenic HJAARN Cc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(F)cc2)cc1 ZINC000000638043 569281762 /nfs/dbraw/zinc/28/17/62/569281762.db2.gz FDQINJWNCGYVAS-DNQXCXABSA-N 0 0 410.452 4.938 50 0 HJAARN CC(C)c1ccc(-c2nc(N3CCCC3)nc3nn(-c4ccc(F)cc4)c(N)c32)cc1 ZINC000037360848 569283532 /nfs/dbraw/zinc/28/35/32/569283532.db2.gz WHEKVAYVHAKGTG-UHFFFAOYSA-N 0 0 416.504 4.927 50 0 HJAARN Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3cccc(Br)c3)NC(=O)CCN21 ZINC000002127759 569286356 /nfs/dbraw/zinc/28/63/56/569286356.db2.gz PTPVBKZWRVAAOO-CRWWQRIJSA-N 0 0 411.343 4.785 50 0 biogenic HJAARN O=C(Nc1nnc(Cc2ccccc2)s1)c1cc(Br)ccc1Cl ZINC000007593820 569286749 /nfs/dbraw/zinc/28/67/49/569286749.db2.gz CNNXQBIKTVLZLN-UHFFFAOYSA-N 0 0 408.708 4.797 50 0 HJAARN COc1cc2c(cc1OC)-c1cc(Oc3ccc(C(C)(C)C)cc3)nc(=O)n1CC2 ZINC000002130758 569287058 /nfs/dbraw/zinc/28/70/58/569287058.db2.gz VXZKQHZPASUIHW-UHFFFAOYSA-N 0 0 406.482 4.573 50 0 biogenic HJAARN CCCCOc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccc(C)cc2C3(C)C)cc1OC ZINC000002130307 569287226 /nfs/dbraw/zinc/28/72/26/569287226.db2.gz CEHLFDNBLPBLRP-WUZNFDRSSA-N 0 0 420.553 4.820 50 0 biogenic HJAARN O=C(CSc1ccc(Cl)cc1)Nc1ccc(I)cc1 ZINC000002144690 569289520 /nfs/dbraw/zinc/28/95/20/569289520.db2.gz UDTUZPOKHGVCLG-UHFFFAOYSA-N 0 0 403.672 4.675 50 0 HJAARN Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(OCc4ccccc4)cc3)ccc12 ZINC000002151789 569290150 /nfs/dbraw/zinc/29/01/50/569290150.db2.gz DVGXEWGLTBTZCZ-UHFFFAOYSA-N 0 0 415.445 4.698 50 0 biogenic HJAARN CNC(=O)c1ccc(N2CC(=O)C(c3nc(-c4ccccc4)cs3)=C2N)cc1Cl ZINC000252494740 569290746 /nfs/dbraw/zinc/29/07/46/569290746.db2.gz ODGYWVCNWKJKBG-UHFFFAOYSA-N 0 0 424.913 4.590 50 0 HJAARN O=C(CCc1ccc2c(c1)CCO2)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000252500561 569291030 /nfs/dbraw/zinc/29/10/30/569291030.db2.gz SXVCLXYXAQNESX-HSZRJFAPSA-N 0 0 411.505 4.531 50 0 HJAARN FC(F)(F)Oc1ccc(CNc2ncncc2-c2nc(-c3cccs3)no2)cc1 ZINC000252500973 569291160 /nfs/dbraw/zinc/29/11/60/569291160.db2.gz UAMTWDCVVNAPGR-UHFFFAOYSA-N 0 0 419.388 4.766 50 0 HJAARN CCCOc1cc(Nc2ccc(NC(=O)Nc3ccccc3OC)cc2)nc(C)n1 ZINC000012225995 569291555 /nfs/dbraw/zinc/29/15/55/569291555.db2.gz BJXSETZVNLQLSJ-UHFFFAOYSA-N 0 0 407.474 4.970 50 0 HJAARN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1 ZINC000252510607 569291578 /nfs/dbraw/zinc/29/15/78/569291578.db2.gz AQLWHUJTQSSPRN-SLFFLAALSA-N 0 0 409.530 4.699 50 0 HJAARN CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)[C@](F)(OC)C(F)(F)F ZINC000002191910 569293777 /nfs/dbraw/zinc/29/37/77/569293777.db2.gz BJFIIIIYBTZVHY-KRWDZBQOSA-N 0 0 419.396 4.713 50 0 HJAARN Cc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3ccccc32)cc1Cl ZINC000007615987 569295755 /nfs/dbraw/zinc/29/57/55/569295755.db2.gz QXJFYJCFQAOJFJ-UHFFFAOYSA-N 0 0 403.869 4.664 50 0 HJAARN Cc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000007616159 569295885 /nfs/dbraw/zinc/29/58/85/569295885.db2.gz OOXDXRNOVDGZLH-UHFFFAOYSA-N 0 0 413.429 4.996 50 0 HJAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccc(C)c(C)c2)cc1 ZINC000002203298 569296037 /nfs/dbraw/zinc/29/60/37/569296037.db2.gz DXBYAPRKLLUFJY-UHFFFAOYSA-N 0 0 400.478 4.768 50 0 HJAARN CCC[C@H](C(=O)NCc1ccccn1)n1c(Cc2ccccc2F)nc2ccccc21 ZINC000037396793 569296321 /nfs/dbraw/zinc/29/63/21/569296321.db2.gz UJKHNJUKIPYOKF-HSZRJFAPSA-N 0 0 416.500 4.819 50 0 HJAARN CCc1nc2ccccc2c(C(=O)O[C@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)c1C ZINC000007638185 569297921 /nfs/dbraw/zinc/29/79/21/569297921.db2.gz QDLQZIIQOIVCJY-MRXNPFEDSA-N 0 0 406.482 4.681 50 0 HJAARN CN1c2ccccc2S/C(=C/C(=O)N[C@H](Cc2ccccc2)c2ccccc2)C1=O ZINC000037427131 569298706 /nfs/dbraw/zinc/29/87/06/569298706.db2.gz RLINXBLOBLRLDU-YYTOJMEDSA-N 0 0 414.530 4.739 50 0 HJAARN CN(C(=O)CSCC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CCCCC1 ZINC000007670092 569299959 /nfs/dbraw/zinc/29/99/59/569299959.db2.gz PMHICWNNPKQBPJ-UHFFFAOYSA-N 0 0 412.555 4.942 50 0 HJAARN CN(CC(=O)Nc1ccccc1Cc1ccccc1)Cc1nc2ccccc2s1 ZINC000007689379 569300887 /nfs/dbraw/zinc/30/08/87/569300887.db2.gz RYJXIOXPECBSRL-UHFFFAOYSA-N 0 0 401.535 4.958 50 0 HJAARN Cc1ccccc1-n1c(SCC(=O)NC2CCCCCC2)nc2ccccc2c1=O ZINC000007698926 569301148 /nfs/dbraw/zinc/30/11/48/569301148.db2.gz PVFAPPJYSQTDFU-UHFFFAOYSA-N 0 0 421.566 4.625 50 0 HJAARN COc1cc(Cn2c(C(=O)NCc3ccccc3)cc3sccc32)cc(OC)c1 ZINC000037525998 569304102 /nfs/dbraw/zinc/30/41/02/569304102.db2.gz UOVMYMYHZMFIHA-UHFFFAOYSA-N 0 0 406.507 4.698 50 0 HJAARN Cc1nn(-c2cccc(Cl)c2)nc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000007735385 569304729 /nfs/dbraw/zinc/30/47/29/569304729.db2.gz VSQIMPXLMVKNQY-UHFFFAOYSA-N 0 0 410.861 4.523 50 0 HJAARN Cc1nn(-c2cccc(C)c2)c(Oc2ccc(F)cc2)c1CCC(=O)NCC1CC1 ZINC000037547107 569305730 /nfs/dbraw/zinc/30/57/30/569305730.db2.gz CYMUHWKUOLHFPT-UHFFFAOYSA-N 0 0 407.489 4.879 50 0 HJAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1CCC(=O)NCC1CC1 ZINC000037546972 569305760 /nfs/dbraw/zinc/30/57/60/569305760.db2.gz VMAOGZHJFDSPKH-UHFFFAOYSA-N 0 0 411.452 4.710 50 0 HJAARN COc1ccc(-n2nc(C)c(CCC(=O)NC(C)C)c2Oc2ccc(F)cc2)cc1 ZINC000037546817 569305898 /nfs/dbraw/zinc/30/58/98/569305898.db2.gz HKSZOUMQNDCXJE-UHFFFAOYSA-N 0 0 411.477 4.578 50 0 HJAARN CCCCNC(=O)N1C[C@@H](C(=O)NCc2ccccc2)CC[C@@H]1c1cccc(C)c1 ZINC000037546536 569305920 /nfs/dbraw/zinc/30/59/20/569305920.db2.gz ZJHCQGMDGFLUBC-XZOQPEGZSA-N 0 0 407.558 4.574 50 0 HJAARN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccccc2)cc1)NCc1ccco1 ZINC000037555723 569306381 /nfs/dbraw/zinc/30/63/81/569306381.db2.gz RNIKUAINXXLGBG-UHFFFAOYSA-N 0 0 424.500 4.986 50 0 HJAARN Cc1cccc(-c2noc(CN(C(=O)c3ccc4c(c3)OCO4)C3CCCCC3)n2)c1 ZINC000007759766 569307284 /nfs/dbraw/zinc/30/72/84/569307284.db2.gz LBEMKSLJQIXVAJ-UHFFFAOYSA-N 0 0 419.481 4.749 50 0 HJAARN C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccc(Cl)cn1 ZINC000007763673 569307781 /nfs/dbraw/zinc/30/77/81/569307781.db2.gz KVFNXZSHLZJBKV-JTQLQIEISA-N 0 0 405.936 4.509 50 0 HJAARN CCCNC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(F)cc2F)c1 ZINC000037600508 569309108 /nfs/dbraw/zinc/30/91/08/569309108.db2.gz LZYNQENJXXJYDV-UHFFFAOYSA-N 0 0 422.475 4.881 50 0 HJAARN CCCNC(=O)Cc1cccc(N(Cc2ccc(F)cc2)C(=O)Cc2cccs2)c1 ZINC000037601093 569309129 /nfs/dbraw/zinc/30/91/29/569309129.db2.gz UYTNEWXUZFTQJD-UHFFFAOYSA-N 0 0 424.541 4.732 50 0 HJAARN O=C(Cc1cccc(N(Cc2ccc(F)cc2)C(=O)c2cccs2)c1)NCC1CC1 ZINC000037601446 569309333 /nfs/dbraw/zinc/30/93/33/569309333.db2.gz HUZADKJJUKFAOO-UHFFFAOYSA-N 0 0 422.525 4.803 50 0 HJAARN O=C(CCc1c[nH]c2ccccc12)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000007781055 569309846 /nfs/dbraw/zinc/30/98/46/569309846.db2.gz DLKCLLMMZSZHBV-UHFFFAOYSA-N 0 0 420.900 4.995 50 0 HJAARN Cc1ccc(C)c(Sc2ncccc2C(=O)Nc2ccnn2Cc2cccnc2)c1 ZINC000007781596 569309988 /nfs/dbraw/zinc/30/99/88/569309988.db2.gz KGKHNKMPDXXGFI-UHFFFAOYSA-N 0 0 415.522 4.742 50 0 HJAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)Nc1ccccc1F ZINC000007789798 569310603 /nfs/dbraw/zinc/31/06/03/569310603.db2.gz CRJVSDOVKWBMFZ-UHFFFAOYSA-N 0 0 407.474 4.631 50 0 HJAARN O=C([C@H](Sc1nnc(-c2cccnc2)n1C1CC1)c1ccccc1)N1CCCCC1 ZINC000007799904 569311056 /nfs/dbraw/zinc/31/10/56/569311056.db2.gz RMOGZEHGCWJRRH-HXUWFJFHSA-N 0 0 419.554 4.521 50 0 HJAARN Cc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c(Cl)c1 ZINC000007803519 569311720 /nfs/dbraw/zinc/31/17/20/569311720.db2.gz ZRGKVVHZSKIIKQ-UHFFFAOYSA-N 0 0 420.962 4.630 50 0 HJAARN CCOc1ccc(CN(C)C(=O)c2ccccc2OCc2ccccc2)cc1OC ZINC000007814164 569312427 /nfs/dbraw/zinc/31/24/27/569312427.db2.gz QXCPGVFTILSGCX-UHFFFAOYSA-N 0 0 405.494 4.945 50 0 HJAARN CC(C)[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1ccc2c(c1)OCCCO2 ZINC000007814408 569312545 /nfs/dbraw/zinc/31/25/45/569312545.db2.gz HMZLRYQVDCHOTL-BTYIYWSLSA-N 0 0 403.906 4.782 50 0 HJAARN CC[C@H](C)n1[nH]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000002222680 569313253 /nfs/dbraw/zinc/31/32/53/569313253.db2.gz NURNGRBKIZFTRI-BTYIYWSLSA-N 0 0 423.538 4.913 50 0 HJAARN O=C(CSc1nc(-c2cccs2)nc2ccccc21)NCCc1cccs1 ZINC000007830220 569313478 /nfs/dbraw/zinc/31/34/78/569313478.db2.gz JIGHXEURCBDRRX-UHFFFAOYSA-N 0 0 411.577 4.871 50 0 HJAARN Cc1ccc(-c2nc(SCC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)n[nH]2)cc1 ZINC000007831921 569314018 /nfs/dbraw/zinc/31/40/18/569314018.db2.gz WHTXYUBZBVLBRA-INIZCTEOSA-N 0 0 406.555 4.628 50 0 HJAARN COc1cccc(NC(=O)[C@H](Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)c1 ZINC000007848212 569314557 /nfs/dbraw/zinc/31/45/57/569314557.db2.gz IDOYZBQUAXQXFI-XMMPIXPASA-N 0 0 415.493 4.614 50 0 HJAARN CCc1cccc(C)c1N(C(=O)CSCc1nc2ccccc2[nH]1)[C@H](C)COC ZINC000002233415 569320073 /nfs/dbraw/zinc/32/00/73/569320073.db2.gz ZNLGGPOKYBKXKB-QGZVFWFLSA-N 0 0 411.571 4.735 50 0 HJAARN C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000007905123 569320505 /nfs/dbraw/zinc/32/05/05/569320505.db2.gz KDCYXZTWPQGBSM-ZDUSSCGKSA-N 0 0 412.559 4.839 50 0 HJAARN Cc1ccc(-c2c(=O)c(C)nn(-c3ccccc3)c2NC(=O)c2ccc(F)cc2)cc1 ZINC000002235565 569321524 /nfs/dbraw/zinc/32/15/24/569321524.db2.gz GESMXLSSFYASJJ-UHFFFAOYSA-N 0 0 413.452 4.908 50 0 HJAARN COc1ccc(C(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)cc1OC ZINC000002972364 569322605 /nfs/dbraw/zinc/32/26/05/569322605.db2.gz BPKNBIXGRPDSJV-UHFFFAOYSA-N 0 0 405.479 4.936 50 0 HJAARN Cc1ccc(-n2ncc3c4nnc(-c5cc6ccccc6cc5O)n4cnc32)c(C)c1 ZINC000002242022 569323659 /nfs/dbraw/zinc/32/36/59/569323659.db2.gz MJCVSHZOWFTBEC-UHFFFAOYSA-N 0 0 406.449 4.606 50 0 HJAARN CCOP(=O)(OCC)[C@@H](NC(=O)c1ccccc1C)C(Cl)(Cl)Cl ZINC000002257360 569324870 /nfs/dbraw/zinc/32/48/70/569324870.db2.gz PRKKMPHCQFZXIT-CYBMUJFWSA-N 0 0 402.642 4.687 50 0 HJAARN Cc1ccc(-n2c(N)c(C(=O)NCC(C)C)c3nc4ccccc4nc32)cc1Cl ZINC000002257237 569324874 /nfs/dbraw/zinc/32/48/74/569324874.db2.gz OWYDMKLHXXBLPB-UHFFFAOYSA-N 0 0 407.905 4.504 50 0 HJAARN O=C(c1ccc2c(c1)OCCOCCOCCO2)C(c1ccccc1)c1ccccc1 ZINC000002268482 569325956 /nfs/dbraw/zinc/32/59/56/569325956.db2.gz HHIXYYPBADOWQT-UHFFFAOYSA-N 0 0 418.489 4.506 50 0 HJAARN CCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(C)(C)OC3 ZINC000002271889 569327030 /nfs/dbraw/zinc/32/70/30/569327030.db2.gz SQBNXGFLORTUCF-UHFFFAOYSA-N 0 0 400.569 4.664 50 0 HJAARN Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1CC1CCCCC1 ZINC000002278241 569327878 /nfs/dbraw/zinc/32/78/78/569327878.db2.gz XPHOEKFBKAIRCZ-UHFFFAOYSA-N 0 0 420.538 4.580 50 0 HJAARN C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[C@H]21 ZINC000135942413 569359364 /nfs/dbraw/zinc/35/93/64/569359364.db2.gz RMJVWSPVBRUOST-ZNOIYHFQSA-N 0 0 412.283 4.943 50 0 HJAARN O=C(Cc1cccc(O[C@H]2CCCCO2)c1)c1cc(O[C@H]2CCCCO2)ccc1O ZINC000144223585 569359515 /nfs/dbraw/zinc/35/95/15/569359515.db2.gz ZLDYHZMSPOICHG-ZEQRLZLVSA-N 0 0 412.482 4.628 50 0 HJAARN COC(=O)[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C ZINC000257347515 569363889 /nfs/dbraw/zinc/36/38/89/569363889.db2.gz KCWRJZPEFSQWMV-SVMDVMSFSA-N 0 0 418.574 4.565 50 0 HJAARN COc1cc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccccc5)coc4c32)ccc1O ZINC000253409231 569366438 /nfs/dbraw/zinc/36/64/38/569366438.db2.gz LOEYOYHSBVAUQU-KRWDZBQOSA-N 0 0 414.413 4.615 50 0 biogenic HJAARN O=C1C[C@H](c2cccc(O)c2)c2c(ccc3c(=O)c(-c4ccc(F)cc4)coc32)O1 ZINC000253414825 569366996 /nfs/dbraw/zinc/36/69/96/569366996.db2.gz YSOTZFBFYODJOJ-GOSISDBHSA-N 0 0 402.377 4.746 50 0 biogenic HJAARN CCOc1ccccc1-c1nc(-c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cs1 ZINC000253416268 569367331 /nfs/dbraw/zinc/36/73/31/569367331.db2.gz MHQJFTJDZUUPBP-AWEZNQCLSA-N 0 0 414.552 4.586 50 0 HJAARN Nc1c(C(=O)Nc2cccc(F)c2)c2nc3ccccc3nc2n1Cc1ccccc1 ZINC000002291355 569369139 /nfs/dbraw/zinc/36/91/39/569369139.db2.gz UJVOTFYGJUVSOA-UHFFFAOYSA-N 0 0 411.440 4.606 50 0 HJAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)cc1 ZINC000002293185 569369261 /nfs/dbraw/zinc/36/92/61/569369261.db2.gz CMWOMBYIKSPTNW-UHFFFAOYSA-N 0 0 417.490 4.944 50 0 HJAARN CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1nc2ccccc2s1 ZINC000027551191 569372691 /nfs/dbraw/zinc/37/26/91/569372691.db2.gz AFJDBSJUXKKUHR-LJQANCHMSA-N 0 0 409.555 4.987 50 0 HJAARN CCCCCNC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc21 ZINC000002309514 569372749 /nfs/dbraw/zinc/37/27/49/569372749.db2.gz LGGXSKYMUJJZLS-UHFFFAOYSA-N 0 0 407.905 4.729 50 0 HJAARN CCCCCNC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc21 ZINC000002312312 569373980 /nfs/dbraw/zinc/37/39/80/569373980.db2.gz CROZAAOQXXDSGI-UHFFFAOYSA-N 0 0 407.905 4.729 50 0 HJAARN COc1ccccc1NC(=O)Nc1nnc(-c2ccccc2Br)s1 ZINC000002339562 569376221 /nfs/dbraw/zinc/37/62/21/569376221.db2.gz ZAFXAIZEAUWSGA-UHFFFAOYSA-N 0 0 405.277 4.620 50 0 HJAARN Cc1ccc(N2C(=O)CS[C@@]23c2cccc4c2N(C3=O)C(C)(C)C=C4C)cc1C ZINC000253495556 569381852 /nfs/dbraw/zinc/38/18/52/569381852.db2.gz JFPGAZDKSDBVPK-XMMPIXPASA-N 0 0 404.535 4.778 50 0 HJAARN Cn1ccnc1SC[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253499728 569382115 /nfs/dbraw/zinc/38/21/15/569382115.db2.gz UWCHXMLXDXSLPL-OCWLEOMPSA-N 0 0 418.647 4.647 50 0 HJAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCC2)c1ccc(Br)cc1 ZINC000002377915 569389572 /nfs/dbraw/zinc/38/95/72/569389572.db2.gz YIMZYNMZPZDKKR-UHFFFAOYSA-N 0 0 424.294 4.916 50 0 HJAARN COC(=O)c1sccc1Oc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000008857282 569390622 /nfs/dbraw/zinc/39/06/22/569390622.db2.gz VRMUZNJNBVNCSN-UHFFFAOYSA-N 0 0 423.899 4.781 50 0 HJAARN CC[C@@H](C)NC(=O)c1c(N)n(-c2ccc(C)c(Cl)c2)c2nc3ccccc3nc12 ZINC000002386795 569392227 /nfs/dbraw/zinc/39/22/27/569392227.db2.gz VTUYTMHCESDPON-CYBMUJFWSA-N 0 0 407.905 4.646 50 0 HJAARN CSCC[C@@H]1NC(=S)N(c2ccc(-c3ccccc3)c(C(F)(F)F)c2)C1=O ZINC000055180325 569392231 /nfs/dbraw/zinc/39/22/31/569392231.db2.gz KQCBJAFVWSAQKV-INIZCTEOSA-N 0 0 410.486 4.715 50 0 HJAARN Nc1c(C(=O)OCc2ccccc2)c2nc3ccccc3nc2n1Cc1ccccc1 ZINC000002394976 569394219 /nfs/dbraw/zinc/39/42/19/569394219.db2.gz WWTRKZYXRLXRRS-UHFFFAOYSA-N 0 0 408.461 4.572 50 0 HJAARN COc1ccc([C@@H](O)[P@@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1 ZINC000002398503 569394687 /nfs/dbraw/zinc/39/46/87/569394687.db2.gz QJBBTJIQQBXLJL-DWACAAAGSA-N 0 0 403.459 4.705 50 0 HJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)C)cc1)N(C[C@H]1CCCO1)C3=O ZINC000002401847 569395544 /nfs/dbraw/zinc/39/55/44/569395544.db2.gz MAWUZNWSDVGOLX-AUSIDOKSSA-N 0 0 417.505 4.949 50 0 HJAARN CCCCCOC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc21 ZINC000002406163 569396088 /nfs/dbraw/zinc/39/60/88/569396088.db2.gz UBMXBDWQUVBNBG-UHFFFAOYSA-N 0 0 406.461 4.701 50 0 HJAARN CC(=O)Cc1nsc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)oc2C)n1 ZINC000002411903 569396999 /nfs/dbraw/zinc/39/69/99/569396999.db2.gz GNPXTPXDMJVEBT-UHFFFAOYSA-N 0 0 410.282 4.797 50 0 HJAARN CC(=O)Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C[C@H](c1ccc(Cl)cc1)N2 ZINC000002424352 569398443 /nfs/dbraw/zinc/39/84/43/569398443.db2.gz PDZVGUBLBINTCB-SJORKVTESA-N 0 0 402.285 4.690 50 0 HJAARN Clc1cccc(-n2ncc3c4nnc(Cc5cccc6ccccc65)n4cnc32)c1 ZINC000002426702 569398590 /nfs/dbraw/zinc/39/85/90/569398590.db2.gz WZBFBGWKPNUDPD-UHFFFAOYSA-N 0 0 410.868 4.861 50 0 HJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)C)cc1)N(c1nncs1)C3=O ZINC000002426677 569398613 /nfs/dbraw/zinc/39/86/13/569398613.db2.gz MSLYWRIGYGFOMK-LJQANCHMSA-N 0 0 417.490 4.826 50 0 HJAARN Cc1cc(C)cc(-n2cc3c(c2-c2ccc(C(C)(C)C)cc2)c(=O)n(C)c(=O)n3C)c1 ZINC000002435223 569399514 /nfs/dbraw/zinc/39/95/14/569399514.db2.gz VZDFWEBQUZTIKU-UHFFFAOYSA-N 0 0 415.537 4.609 50 0 HJAARN CCc1cccc(-n2c(N)c(C(=O)OC[C@H](C)CC)c3nc4ccccc4nc32)c1 ZINC000002437464 569400040 /nfs/dbraw/zinc/40/00/40/569400040.db2.gz GCUVLORRZQYFPW-OAHLLOKOSA-N 0 0 402.498 4.921 50 0 HJAARN COc1cc(-c2nc3nc4ccccc4nc3n2C2CCCC2)cc(OC)c1OC ZINC000002440097 569400309 /nfs/dbraw/zinc/40/03/09/569400309.db2.gz ZVTQBARWNQKASN-UHFFFAOYSA-N 0 0 404.470 4.787 50 0 HJAARN CCCn1nc(NC(=O)c2ccc(OC)c(OC)c2)c2cc3ccc(C)cc3nc21 ZINC000002440096 569400326 /nfs/dbraw/zinc/40/03/26/569400326.db2.gz GPWPSOJKUNOJLM-UHFFFAOYSA-N 0 0 404.470 4.572 50 0 HJAARN CC1(C)Cc2c3ccccc3ccc2C(N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])=[NH+]1 ZINC000012658617 569402417 /nfs/dbraw/zinc/40/24/17/569402417.db2.gz OVPAWNHGQLHHAC-QHCPKHFHSA-N 0 0 411.505 4.688 50 0 biogenic HJAARN COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC[C@@H]2c2cccnc2)cc1 ZINC000012660782 569402590 /nfs/dbraw/zinc/40/25/90/569402590.db2.gz YIMVSJSXBWYNEU-HSZRJFAPSA-N 0 0 415.493 4.710 50 0 biogenic HJAARN CNC(=O)c1ccc(/C=C/C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 ZINC000012912378 569404926 /nfs/dbraw/zinc/40/49/26/569404926.db2.gz VZJKMTGJXCYBIQ-OVCLIPMQSA-N 0 0 413.502 4.975 50 0 HJAARN Cc1nc(-c2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4cccs4)C3)cc2)cs1 ZINC000012986399 569405995 /nfs/dbraw/zinc/40/59/95/569405995.db2.gz GEDVACFZRWKHOZ-MRXNPFEDSA-N 0 0 411.552 4.671 50 0 HJAARN Cn1nc(C(=O)Nc2cc(Cl)ccc2Sc2ccccc2)c2ccccc2c1=O ZINC000013001285 569406394 /nfs/dbraw/zinc/40/63/94/569406394.db2.gz SOAONJJIXAOENC-UHFFFAOYSA-N 0 0 421.909 4.990 50 0 HJAARN Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)n2Cc2ccco2)cc1 ZINC000002453975 569406528 /nfs/dbraw/zinc/40/65/28/569406528.db2.gz XQQRPVSTOJXCQM-UHFFFAOYSA-N 0 0 418.522 4.934 50 0 HJAARN CCc1ccc([C@H](NC(=O)C2CCN(C(=O)c3ccco3)CC2)c2cccs2)cc1 ZINC000013008459 569406942 /nfs/dbraw/zinc/40/69/42/569406942.db2.gz JZNMZPZEJQXLOO-QFIPXVFZSA-N 0 0 422.550 4.662 50 0 HJAARN O=C(CCSCCCOc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2 ZINC000013017562 569407401 /nfs/dbraw/zinc/40/74/01/569407401.db2.gz ORJRYJZQRCJTFD-UHFFFAOYSA-N 0 0 407.919 4.642 50 0 HJAARN Clc1ccc2c(c1)[C@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@@H](c1ccccn1)O2 ZINC000013036206 569407482 /nfs/dbraw/zinc/40/74/82/569407482.db2.gz YYXLTFWWXAOFCJ-XMSQKQJNSA-N 0 0 405.841 4.706 50 0 HJAARN Cc1cc(C)cc(N[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 ZINC000013038426 569407728 /nfs/dbraw/zinc/40/77/28/569407728.db2.gz VBVUVGORFXSTLM-INIZCTEOSA-N 0 0 421.463 4.598 50 0 HJAARN Cc1cccc(N2CCN([C@@H](C)C(=O)Nc3cc(Cl)ccc3Cl)CC2)c1C ZINC000013069440 569408484 /nfs/dbraw/zinc/40/84/84/569408484.db2.gz BOANBAZPCYKHCF-INIZCTEOSA-N 0 0 406.357 4.759 50 0 HJAARN CC[C@H](C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1c(Cl)cccc1Cl ZINC000013096281 569408922 /nfs/dbraw/zinc/40/89/22/569408922.db2.gz RLRDNWIIOMWTAS-ZDUSSCGKSA-N 0 0 418.324 4.600 50 0 HJAARN Cc1ccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@@H]2c2ccc(F)cc2)cc1C ZINC000002456716 569410771 /nfs/dbraw/zinc/41/07/71/569410771.db2.gz KEVUXZIBUWOYOD-QHCPKHFHSA-N 0 0 406.432 4.766 50 0 HJAARN CC(C)(C)OC(=O)N1CCC(c2nnc(SC/C=C/c3ccccc3)o2)CC1 ZINC000013362280 569411850 /nfs/dbraw/zinc/41/18/50/569411850.db2.gz WSOBSYZHINCJOL-JXMROGBWSA-N 0 0 401.532 4.990 50 0 HJAARN COc1ccc(NC(=O)[C@H](Cc2ccccc2)N2Cc3ccccc3C2=O)cc1Cl ZINC000013366347 569412260 /nfs/dbraw/zinc/41/22/60/569412260.db2.gz OPYLCXLUTOOXQC-NRFANRHFSA-N 0 0 420.896 4.554 50 0 HJAARN CC(C)CN(C)c1ccc(C(=O)Nc2cc(C(N)=O)ccc2OCC(F)F)cc1 ZINC000328595046 569415953 /nfs/dbraw/zinc/41/59/53/569415953.db2.gz JJUBJJMYEXUMOV-UHFFFAOYSA-N 0 0 405.445 4.558 50 0 HJAARN COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2S(=O)(=O)c2ccccc2C)cc1 ZINC000328597660 569416207 /nfs/dbraw/zinc/41/62/07/569416207.db2.gz IOIKHOHXVSQJOJ-HSZRJFAPSA-N 0 0 420.534 4.852 50 0 HJAARN Cn1c(CCNC(=O)c2csc(-c3ccc(Cl)s3)n2)nc2cc(F)ccc21 ZINC000078777835 569420426 /nfs/dbraw/zinc/42/04/26/569420426.db2.gz DEHWACGOXIXIBN-UHFFFAOYSA-N 0 0 420.922 4.523 50 0 HJAARN CC[C@H](Cc1ccccc1)N(C)C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1 ZINC000078877307 569421231 /nfs/dbraw/zinc/42/12/31/569421231.db2.gz OYUMSMQYBNMGOD-OAHLLOKOSA-N 0 0 400.828 4.769 50 0 HJAARN COc1ccc2cc([C@H](C)Sc3nnnn3-c3cccc(NC(C)=O)c3)ccc2c1 ZINC000078939457 569421893 /nfs/dbraw/zinc/42/18/93/569421893.db2.gz DLWDONFKCHJYMR-AWEZNQCLSA-N 0 0 419.510 4.636 50 0 HJAARN COc1cccc([C@H](C)Sc2nnc(CN3CCCC3)n2Cc2ccccc2)c1 ZINC000079001623 569423560 /nfs/dbraw/zinc/42/35/60/569423560.db2.gz BWQRUZYHOHNCEA-SFHVURJKSA-N 0 0 408.571 4.784 50 0 HJAARN CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000079019576 569424242 /nfs/dbraw/zinc/42/42/42/569424242.db2.gz SZAGJPAWEFMOIP-FQEVSTJZSA-N 0 0 423.479 4.822 50 0 HJAARN C[C@H](NC(=O)[C@H](C)Sc1ccccc1Cl)c1nc(Cc2ccccc2)no1 ZINC000079022634 569424509 /nfs/dbraw/zinc/42/45/09/569424509.db2.gz XJOOPFNTCSLHAG-KBPBESRZSA-N 0 0 401.919 4.672 50 0 HJAARN O=C(CSc1nncn1-c1ccccc1F)Nc1ccccc1Cc1ccccc1 ZINC000006129104 571045451 /nfs/dbraw/zinc/04/54/51/571045451.db2.gz CUYGJJKIWLPPPD-UHFFFAOYSA-N 0 0 418.497 4.728 50 0 HJAARN CCc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(C)cc2)c1 ZINC000038652849 571052515 /nfs/dbraw/zinc/05/25/15/571052515.db2.gz YWOLWVFLCALWDF-UHFFFAOYSA-N 0 0 414.552 4.696 50 0 HJAARN CCc1ccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2cccc(C)c2)cc1 ZINC000038652905 571052516 /nfs/dbraw/zinc/05/25/16/571052516.db2.gz GCRCNYCGHWVKHZ-UHFFFAOYSA-N 0 0 414.552 4.696 50 0 HJAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000038652845 571052537 /nfs/dbraw/zinc/05/25/37/571052537.db2.gz HIMSAUTZOSKFKV-UHFFFAOYSA-N 0 0 414.552 4.751 50 0 HJAARN Cc1cc(SCC(=O)N[C@@H](C)CCc2ccccc2)nc(-c2ccc(F)cc2)n1 ZINC000067257206 571056779 /nfs/dbraw/zinc/05/67/79/571056779.db2.gz OQSHMFOAUAGWTK-INIZCTEOSA-N 0 0 409.530 4.821 50 0 HJAARN Cc1ccccc1CSc1ncc2c(n1)-c1cc(Cl)ccc1N(C)S2(=O)=O ZINC000067260090 571059249 /nfs/dbraw/zinc/05/92/49/571059249.db2.gz OGXQLDLGKZVMLO-UHFFFAOYSA-N 0 0 417.943 4.536 50 0 HJAARN Cc1ccccc1CSc1ncc2c(n1)-c1ccc(Cl)cc1N(C)S2(=O)=O ZINC000067260190 571059251 /nfs/dbraw/zinc/05/92/51/571059251.db2.gz SJFMZHFZLCRHQG-UHFFFAOYSA-N 0 0 417.943 4.536 50 0 HJAARN COc1ccc(NC(=O)Cc2c(C)c3c4occ(C)c4c(C)cc3oc2=O)cc1OC ZINC000008491558 571061518 /nfs/dbraw/zinc/06/15/18/571061518.db2.gz WEKYMBVTWYZPFU-UHFFFAOYSA-N 0 0 421.449 4.663 50 0 biogenic HJAARN COc1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)cc1N1CCCC1=O ZINC000038697460 571063131 /nfs/dbraw/zinc/06/31/31/571063131.db2.gz JRQADLGTRDRPSA-UHFFFAOYSA-N 0 0 415.493 4.733 50 0 HJAARN O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CC2)C1c2ccccc2Oc2ccccc21 ZINC000038709354 571068352 /nfs/dbraw/zinc/06/83/52/571068352.db2.gz IMGUCTUXPLGRDM-UHFFFAOYSA-N 0 0 410.473 4.862 50 0 HJAARN O=C(NC[C@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(F)cc1F ZINC000067292924 571068731 /nfs/dbraw/zinc/06/87/31/571068731.db2.gz SBHLOJLEMFSILW-IAIVQWBNSA-N 0 0 418.827 4.506 50 0 HJAARN Cc1cc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)ccc1F ZINC000067293053 571068733 /nfs/dbraw/zinc/06/87/33/571068733.db2.gz JKPDEBXZQXPPJM-IFMSOTMUSA-N 0 0 414.864 4.675 50 0 HJAARN Cc1ccc(F)cc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC[C@@H]1CCCO1 ZINC000067293030 571068795 /nfs/dbraw/zinc/06/87/95/571068795.db2.gz NEYBPVBRTZOUCH-IFMSOTMUSA-N 0 0 414.864 4.675 50 0 HJAARN O=C(Nc1ccc2c(c1)CN(C(=O)c1ccccc1)CC2)Nc1c(F)cccc1F ZINC000038713725 571070123 /nfs/dbraw/zinc/07/01/23/571070123.db2.gz UUMOBHAXUNJATO-UHFFFAOYSA-N 0 0 407.420 4.807 50 0 HJAARN COc1ccc(OC)c(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cn2)c1 ZINC000067296473 571071103 /nfs/dbraw/zinc/07/11/03/571071103.db2.gz JGPKZGVYUKZNOT-LCUIJRPUSA-N 0 0 415.449 4.638 50 0 HJAARN Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cccc(Cl)c2)n1 ZINC000067297932 571072277 /nfs/dbraw/zinc/07/22/77/571072277.db2.gz SLUQJDZMNOPDFY-LVWGJNHUSA-N 0 0 405.841 4.980 50 0 HJAARN O=C(NCc1ccco1)c1cc2ccc(O)cc2o/c1=N\c1ccc(Cl)cc1F ZINC000067299281 571073400 /nfs/dbraw/zinc/07/34/00/571073400.db2.gz MNNPVPUAWFGRPG-DAFNUICNSA-N 0 0 412.804 4.686 50 0 HJAARN Cc1ccc(NC(=O)CSc2nc(-c3ccc(Br)cc3)c[nH]2)cc1 ZINC000008557410 571080509 /nfs/dbraw/zinc/08/05/09/571080509.db2.gz RLPLJOCIVZVDJH-UHFFFAOYSA-N 0 0 402.317 4.878 50 0 HJAARN Cc1ccc(C)c(NC(=O)CCN2c3cccnc3Sc3ccccc3C2=O)c1 ZINC000008588828 571084854 /nfs/dbraw/zinc/08/48/54/571084854.db2.gz UEDFKJOOKWYXDN-UHFFFAOYSA-N 0 0 403.507 4.839 50 0 HJAARN COc1ccc(OC)c(CCNc2ncnc3onc(-c4ccc(Cl)cc4)c32)c1 ZINC000008595395 571087474 /nfs/dbraw/zinc/08/74/74/571087474.db2.gz ZQZOIXUJCDYHIW-UHFFFAOYSA-N 0 0 410.861 4.610 50 0 HJAARN Cc1cc(C)c(NC(=O)CN2c3ccccc3Sc3ncccc3C2=O)c(C)c1 ZINC000008605741 571092185 /nfs/dbraw/zinc/09/21/85/571092185.db2.gz XNDBBJBLCFTZPZ-UHFFFAOYSA-N 0 0 403.507 4.757 50 0 HJAARN O=S(=O)(c1ccccc1Cl)N1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000008649037 571098073 /nfs/dbraw/zinc/09/80/73/571098073.db2.gz YVMZCXZPBPJQET-OAHLLOKOSA-N 0 0 424.309 4.569 50 0 HJAARN COc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)c1 ZINC000008657481 571099203 /nfs/dbraw/zinc/09/92/03/571099203.db2.gz WIRRMAMZHREZRB-JOCHJYFZSA-N 0 0 412.445 4.563 50 0 HJAARN Cc1ccnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(F)cc2)c1 ZINC000008664943 571100001 /nfs/dbraw/zinc/10/00/01/571100001.db2.gz HNGRPAKDSOUZLR-NRFANRHFSA-N 0 0 400.409 4.694 50 0 HJAARN COC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccc(OC)c(OC)c1 ZINC000008673466 571100658 /nfs/dbraw/zinc/10/06/58/571100658.db2.gz KTERLXVGICGVLP-UHFFFAOYSA-N 0 0 403.481 4.533 50 0 HJAARN COc1ccc(OC)c(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)c1 ZINC000008701380 571102603 /nfs/dbraw/zinc/10/26/03/571102603.db2.gz ODXQHDBQMWBPOL-UHFFFAOYSA-N 0 0 419.506 4.774 50 0 HJAARN Cc1nc(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)c(C(N)=O)c(C)c1C ZINC000008704917 571103206 /nfs/dbraw/zinc/10/32/06/571103206.db2.gz FZIQUXAVAUVURR-QGZVFWFLSA-N 0 0 419.550 4.892 50 0 HJAARN COc1ccccc1CN(C)C(=O)c1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000008725455 571108274 /nfs/dbraw/zinc/10/82/74/571108274.db2.gz BBNUOCLYLXKLHI-UHFFFAOYSA-N 0 0 415.493 4.503 50 0 HJAARN CCOc1ncccc1C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000008747806 571111271 /nfs/dbraw/zinc/11/12/71/571111271.db2.gz VHOQXFHTBSTFAO-UHFFFAOYSA-N 0 0 407.417 4.799 50 0 HJAARN O=C(NCCc1nc2ccccc2n1CCCOc1ccccc1Cl)c1ccco1 ZINC000008752602 571112436 /nfs/dbraw/zinc/11/24/36/571112436.db2.gz SPWANLPOXOAZLB-UHFFFAOYSA-N 0 0 423.900 4.724 50 0 HJAARN O=C(/C=C/c1ccccc1)N1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000008768895 571116285 /nfs/dbraw/zinc/11/62/85/571116285.db2.gz KJVBOGHMQNLSIH-MDZDMXLPSA-N 0 0 402.416 4.596 50 0 HJAARN CCn1cc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)c(=O)c2ccc(C)nc21 ZINC000008770444 571116905 /nfs/dbraw/zinc/11/69/05/571116905.db2.gz UWVQNLVUMSVYAB-UHFFFAOYSA-N 0 0 418.522 4.717 50 0 HJAARN O=S(=O)(c1ccc(Br)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000008773118 571117593 /nfs/dbraw/zinc/11/75/93/571117593.db2.gz SLXFWGSQZDLIMD-OAHLLOKOSA-N 0 0 423.357 4.585 50 0 HJAARN CCOc1ccc(-c2nc(COC(=O)Cc3c[nH]c4ccccc34)cs2)cc1OC ZINC000008823947 571121667 /nfs/dbraw/zinc/12/16/67/571121667.db2.gz VMOLMXMZVBYJQG-UHFFFAOYSA-N 0 0 422.506 4.985 50 0 HJAARN O=S(=O)(c1nc(-c2ccco2)oc1NCc1ccco1)c1ccc(Cl)cc1 ZINC000008844616 571125167 /nfs/dbraw/zinc/12/51/67/571125167.db2.gz XTJQIQFNKVSIER-UHFFFAOYSA-N 0 0 404.831 4.626 50 0 HJAARN COc1ccc([C@H]2CCCN2C(=O)c2cc(C3CC3)nn2-c2ccccc2)c(OC)c1 ZINC000008849399 571126619 /nfs/dbraw/zinc/12/66/19/571126619.db2.gz YMWYDZBMGJPLOB-JOCHJYFZSA-N 0 0 417.509 4.744 50 0 HJAARN Cc1coc2cc3oc(=O)c(CCC(=O)N[C@H](C)CCc4ccco4)c(C)c3cc12 ZINC000008879367 571131200 /nfs/dbraw/zinc/13/12/00/571131200.db2.gz RFQQJABGFPEXDT-OAHLLOKOSA-N 0 0 407.466 4.819 50 0 biogenic HJAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2NCc2ccco2)cc1 ZINC000039844010 571134689 /nfs/dbraw/zinc/13/46/89/571134689.db2.gz KPWFXYBXOAQHCN-UHFFFAOYSA-N 0 0 412.442 4.827 50 0 HJAARN O=S(=O)(c1cccc(NCc2csc(-c3cccs3)n2)c1)N1CCCCC1 ZINC000039987692 571136689 /nfs/dbraw/zinc/13/66/89/571136689.db2.gz NAJKXIULZOYAOA-UHFFFAOYSA-N 0 0 419.597 4.658 50 0 HJAARN Cc1nc(-c2ccc(CCNC(=O)CCc3nc(-c4cccs4)no3)cc2)cs1 ZINC000040005433 571137690 /nfs/dbraw/zinc/13/76/90/571137690.db2.gz DYDDCCNNWMHWOV-UHFFFAOYSA-N 0 0 424.551 4.522 50 0 HJAARN COc1ccc2nc(C)c(C(=O)NCc3ccc(-c4csc(C)n4)cc3)cc2c1 ZINC000040024175 571139740 /nfs/dbraw/zinc/13/97/40/571139740.db2.gz SKSCVIHFOLEGSA-UHFFFAOYSA-N 0 0 403.507 4.914 50 0 HJAARN O=C(CCc1ccsc1)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000008882678 571140495 /nfs/dbraw/zinc/14/04/95/571140495.db2.gz XXMQQVPDGDEESL-UHFFFAOYSA-N 0 0 401.535 4.909 50 0 HJAARN Cc1nn(C)c2ncc(C(=O)Oc3ccc(-c4nc5ccccc5s4)cc3)cc12 ZINC000040040236 571142499 /nfs/dbraw/zinc/14/24/99/571142499.db2.gz ISZIPPGPBSWBBF-UHFFFAOYSA-N 0 0 400.463 4.773 50 0 HJAARN COC[C@H](C)n1c(C)cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc43)o2)c1C ZINC000008893081 571142854 /nfs/dbraw/zinc/14/28/54/571142854.db2.gz XKNYOKTTXPKLKR-AWEZNQCLSA-N 0 0 424.526 4.819 50 0 HJAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cnc2ccccc2c1C(F)(F)F ZINC000040050169 571143950 /nfs/dbraw/zinc/14/39/50/571143950.db2.gz XGGJJCOMQMRKSK-UHFFFAOYSA-N 0 0 410.399 4.712 50 0 HJAARN CC(C)N(C)S(=O)(=O)c1ccc(NCc2ncc(-c3ccc(Cl)cc3)o2)cc1 ZINC000040061235 571147248 /nfs/dbraw/zinc/14/72/48/571147248.db2.gz JGOKYUSZYCJIKV-UHFFFAOYSA-N 0 0 419.934 4.636 50 0 HJAARN CN(Cc1ccc(OC(F)(F)F)cc1)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000040063143 571147798 /nfs/dbraw/zinc/14/77/98/571147798.db2.gz AELYAHCBUYGAPX-UHFFFAOYSA-N 0 0 403.360 4.612 50 0 HJAARN CCN(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1ccc2c(c1)OCCO2 ZINC000040067014 571147945 /nfs/dbraw/zinc/14/79/45/571147945.db2.gz QYVKXBBYFIEDLD-UHFFFAOYSA-N 0 0 419.403 4.549 50 0 HJAARN Cc1cc(NC(=O)CSCc2cn(-c3ccccc3)nc2-c2ccccc2)no1 ZINC000040067207 571148396 /nfs/dbraw/zinc/14/83/96/571148396.db2.gz WAXHNMKNBCFEOW-UHFFFAOYSA-N 0 0 404.495 4.708 50 0 HJAARN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCc1ccc(Cn2cncn2)cc1 ZINC000040067922 571148707 /nfs/dbraw/zinc/14/87/07/571148707.db2.gz XUMSRTGXCQABQN-AWEZNQCLSA-N 0 0 418.328 4.536 50 0 HJAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)C[C@H](NC(N)=O)c1ccccc1C ZINC000040069560 571149941 /nfs/dbraw/zinc/14/99/41/571149941.db2.gz FMQBCZZXAQNKQO-INIZCTEOSA-N 0 0 423.435 4.541 50 0 HJAARN CCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC)cc1OC ZINC000008917243 571153282 /nfs/dbraw/zinc/15/32/82/571153282.db2.gz ZARDSWFPQTTZTH-NRFANRHFSA-N 0 0 407.466 4.546 50 0 HJAARN CC(C)(C)c1nc2cc(NC(=O)[C@@H]3CCCN(C(=O)c4cccs4)C3)ccc2o1 ZINC000040081661 571156086 /nfs/dbraw/zinc/15/60/86/571156086.db2.gz LKYARUZCZJEREM-CQSZACIVSA-N 0 0 411.527 4.678 50 0 HJAARN O=C(NCc1cccc(CN2CCCC2=O)c1)c1ccc(-c2ccccc2Cl)o1 ZINC000040089473 571159506 /nfs/dbraw/zinc/15/95/06/571159506.db2.gz JCFWBIKLGFXUOY-UHFFFAOYSA-N 0 0 408.885 4.652 50 0 HJAARN O=C(C[C@@]1(O)C(=O)N(Cc2cccc(F)c2)c2ccccc21)c1ccc(Cl)s1 ZINC000008927795 571160322 /nfs/dbraw/zinc/16/03/22/571160322.db2.gz JDSIJCUWOXPIQG-NRFANRHFSA-N 0 0 415.873 4.548 50 0 HJAARN COc1cc(CNC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc(OC)c1OC ZINC000040098563 571162440 /nfs/dbraw/zinc/16/24/40/571162440.db2.gz VATYXGIQHQRVCP-UHFFFAOYSA-N 0 0 419.692 4.994 50 0 HJAARN CCOc1ccccc1C[NH2+]Cc1c(C)n(Cc2ccc(F)cc2)c(C)c1C(=O)[O-] ZINC000008932763 571163059 /nfs/dbraw/zinc/16/30/59/571163059.db2.gz OWDAFYBXSDNFRT-UHFFFAOYSA-N 0 0 410.489 4.679 50 0 HJAARN C=Cc1ccc(Cn2c(C)c(C[NH2+]Cc3ccc4c(c3)OCO4)c(C(=O)[O-])c2C)cc1 ZINC000008932876 571163361 /nfs/dbraw/zinc/16/33/61/571163361.db2.gz GANROLNNRFLEBK-UHFFFAOYSA-N 0 0 418.493 4.513 50 0 HJAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCN(c2ccc(O)cc2)CC1 ZINC000040103283 571163733 /nfs/dbraw/zinc/16/37/33/571163733.db2.gz RYHCLVVACOBUQH-UHFFFAOYSA-N 0 0 423.435 4.554 50 0 HJAARN CC(C)c1cccc(NC(=O)CS(=O)(=O)Cc2csc(-c3cccs3)n2)c1 ZINC000040106207 571166854 /nfs/dbraw/zinc/16/68/54/571166854.db2.gz XGGRNDDJKJLAKC-UHFFFAOYSA-N 0 0 420.581 4.549 50 0 HJAARN Cc1ccc(NC(=O)CCCc2cccs2)cc1NS(=O)(=O)c1ccccc1 ZINC000040106677 571167045 /nfs/dbraw/zinc/16/70/45/571167045.db2.gz WVLSDRZWILOPJC-UHFFFAOYSA-N 0 0 414.552 4.819 50 0 HJAARN Cc1cccc2c(C(=O)Nc3ccc(NC(=O)[C@@H]4CCCO4)cc3)cc(C3CC3)nc12 ZINC000040106579 571167139 /nfs/dbraw/zinc/16/71/39/571167139.db2.gz WXGOXIYXJVXFLX-QFIPXVFZSA-N 0 0 415.493 4.790 50 0 HJAARN O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)N(C[C@@H]1CCOC1)C1CC1 ZINC000040107942 571167783 /nfs/dbraw/zinc/16/77/83/571167783.db2.gz XFEGCZNYEWAERO-ZDUSSCGKSA-N 0 0 409.313 4.609 50 0 HJAARN O=C(Nc1cccc(N2CCNC2=O)c1)C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000040108523 571168114 /nfs/dbraw/zinc/16/81/14/571168114.db2.gz YHYDPZYZCUATMQ-UHFFFAOYSA-N 0 0 417.431 4.686 50 0 HJAARN O=C(NCc1ccnc(Oc2ccccc2)c1)c1cnn(-c2ccccc2)c1C1CC1 ZINC000040110595 571168706 /nfs/dbraw/zinc/16/87/06/571168706.db2.gz DAXMQEGFENRGFX-UHFFFAOYSA-N 0 0 410.477 4.867 50 0 HJAARN COc1cc([C@@H](C)NC(=O)c2ccc(-c3ccccc3)nc2C)cc(OC)c1OC ZINC000040111834 571169903 /nfs/dbraw/zinc/16/99/03/571169903.db2.gz UQUNKMPJBAVQMS-OAHLLOKOSA-N 0 0 406.482 4.574 50 0 HJAARN Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H](C)Cc1cccc(Cl)c1 ZINC000040112942 571171049 /nfs/dbraw/zinc/17/10/49/571171049.db2.gz DZKWCUOEJPSWCE-ZDUSSCGKSA-N 0 0 415.946 4.993 50 0 HJAARN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N[C@H](c1nccn1C)C(C)C ZINC000040114436 571172078 /nfs/dbraw/zinc/17/20/78/571172078.db2.gz KBXRQMPMOUQOGX-KRWDZBQOSA-N 0 0 418.950 4.545 50 0 HJAARN O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)C1CCN(C(=O)c2cccs2)CC1 ZINC000040117419 571174513 /nfs/dbraw/zinc/17/45/13/571174513.db2.gz QPLCPNLNYYADQM-NRFANRHFSA-N 0 0 414.546 4.787 50 0 HJAARN Cn1ccnc1COc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1 ZINC000040119443 571175534 /nfs/dbraw/zinc/17/55/34/571175534.db2.gz BENPPJCOHBYFNW-UHFFFAOYSA-N 0 0 419.481 4.683 50 0 HJAARN COc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)cc1OC ZINC000040128497 571179713 /nfs/dbraw/zinc/17/97/13/571179713.db2.gz AXZOZCLQTZICHN-UHFFFAOYSA-N 0 0 408.502 4.642 50 0 HJAARN O=C(Nc1cccc2ncccc21)c1nc(NCCc2ccccc2)ncc1Cl ZINC000040129428 571180299 /nfs/dbraw/zinc/18/02/99/571180299.db2.gz HKGVKNFKCFTQLB-UHFFFAOYSA-N 0 0 403.873 4.585 50 0 HJAARN Cc1nc(-c2ccc(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)cc2)cs1 ZINC000040131721 571184010 /nfs/dbraw/zinc/18/40/10/571184010.db2.gz VLJZMUUKUTVJOK-UHFFFAOYSA-N 0 0 400.525 4.553 50 0 HJAARN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(CNC(=O)c2cccs2)cc1 ZINC000040132497 571184876 /nfs/dbraw/zinc/18/48/76/571184876.db2.gz HRORAQYVBKZZHQ-AWEZNQCLSA-N 0 0 414.477 4.790 50 0 HJAARN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000040132808 571185479 /nfs/dbraw/zinc/18/54/79/571185479.db2.gz UGXBXXODBBBKCI-UHFFFAOYSA-N 0 0 422.916 4.672 50 0 HJAARN O=C(CCCCc1ccc(Br)cc1)Nc1cccc(-c2nnco2)c1 ZINC000040132884 571185503 /nfs/dbraw/zinc/18/55/03/571185503.db2.gz WLOJDGQEUAPBNJ-UHFFFAOYSA-N 0 0 400.276 4.851 50 0 HJAARN CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccc(Cl)c3)cs2)cc1 ZINC000040134038 571186723 /nfs/dbraw/zinc/18/67/23/571186723.db2.gz JGNXIXCYKPDLSW-UHFFFAOYSA-N 0 0 420.943 4.898 50 0 HJAARN 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/nfs/dbraw/zinc/78/49/71/557784971.db2.gz KYWMTFHBMWEDQH-TZMCWYRMSA-N 0 0 421.722 4.651 50 0 HJAARN CCCCCCC1=C[C@](O)(C(F)(F)F)N(C(=O)c2ccc(Br)cc2)N1 ZINC000008441024 557789544 /nfs/dbraw/zinc/78/95/44/557789544.db2.gz SCPNYFGLHWXSSX-INIZCTEOSA-N 0 0 421.257 4.872 50 0 HJAARN Cc1cc(NC(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccc(C)cc32)no1 ZINC000008475005 557792496 /nfs/dbraw/zinc/79/24/96/557792496.db2.gz NJPDFYDKQCUMNP-UHFFFAOYSA-N 0 0 415.449 4.611 50 0 HJAARN CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)oc3ccccc34)CC2=O)cc1 ZINC000008475483 557792758 /nfs/dbraw/zinc/79/27/58/557792758.db2.gz FHABWJVFIQFJEM-INIZCTEOSA-N 0 0 414.461 4.976 50 0 HJAARN O=C(NCCc1ccccc1)c1cnn2c1N[C@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000008660808 557799033 /nfs/dbraw/zinc/79/90/33/557799033.db2.gz XAMHOAKMLCKEJP-DOTOQJQBSA-N 0 0 420.460 4.577 50 0 HJAARN COc1ccc(CNC(=O)[C@@H](C)Sc2nccn2-c2cccc(Cl)c2C)cc1 ZINC000008746452 557805178 /nfs/dbraw/zinc/80/51/78/557805178.db2.gz JBBDISGVPBMLFI-OAHLLOKOSA-N 0 0 415.946 4.640 50 0 HJAARN Cc1cc(NC(=O)COCc2cc(-c3ccc(F)cc3)on2)ccc1Br ZINC000008830999 557811416 /nfs/dbraw/zinc/81/14/16/557811416.db2.gz OPFODUQKTCUJRQ-UHFFFAOYSA-N 0 0 419.250 4.707 50 0 HJAARN Cc1ccc([C@@H]2c3c(-c4ccc(C)cc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1 ZINC000008845675 557811881 /nfs/dbraw/zinc/81/18/81/557811881.db2.gz QKYYKBRRLKKOHS-XMMPIXPASA-N 0 0 410.477 4.540 50 0 HJAARN Cc1ccc(-c2nnc3sc(Cc4ccc(-c5ccccc5)cc4)nn3c2=O)cc1 ZINC000008991025 557817845 /nfs/dbraw/zinc/81/78/45/557817845.db2.gz JNLHWZRSOFSHCT-UHFFFAOYSA-N 0 0 410.502 4.779 50 0 HJAARN Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(Cl)cc2Cl)c(C)c1 ZINC000009167920 557825119 /nfs/dbraw/zinc/82/51/19/557825119.db2.gz HHSRQPDCALQGRQ-SFHVURJKSA-N 0 0 404.297 4.877 50 0 HJAARN Cc1ccc(C(C)C)c(OCc2nn3c(nnc3-c3ccc(N(C)C)cc3)s2)c1 ZINC000009192525 557827142 /nfs/dbraw/zinc/82/71/42/557827142.db2.gz DDPWVUUDUVCTGF-UHFFFAOYSA-N 0 0 407.543 4.930 50 0 HJAARN Cc1cc(C)cc(N2C[C@@H](c3nnc(NC(=O)c4ccc(C)c(C)c4)s3)CC2=O)c1 ZINC000009199772 557829051 /nfs/dbraw/zinc/82/90/51/557829051.db2.gz ZOYKHHGFCMGANE-SFHVURJKSA-N 0 0 420.538 4.545 50 0 HJAARN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)NC1CCCC1)[C@@H]3c1ccc(F)cc1 ZINC000009224567 557829764 /nfs/dbraw/zinc/82/97/64/557829764.db2.gz SMYIAEHSBYGCMQ-HSZRJFAPSA-N 0 0 407.489 4.915 50 0 HJAARN COc1cc(C)c(C(=O)CSc2nnc(-c3cccnc3)n2CC(C)C)cc1C ZINC000009226045 557830291 /nfs/dbraw/zinc/83/02/91/557830291.db2.gz AGHTUJKDLQKABE-UHFFFAOYSA-N 0 0 410.543 4.597 50 0 HJAARN CCc1nnc2sc(-c3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3)nn12 ZINC000009226381 557830401 /nfs/dbraw/zinc/83/04/01/557830401.db2.gz JOPZAGVLXIVFNM-UHFFFAOYSA-N 0 0 418.309 4.974 50 0 HJAARN COCc1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1-c1ccc(OC)cc1 ZINC000009261095 557833374 /nfs/dbraw/zinc/83/33/74/557833374.db2.gz ROQPCXDUPWRTRB-UHFFFAOYSA-N 0 0 403.360 4.830 50 0 HJAARN O=C1N/C(=C/c2ccccc2OCc2ccccc2F)C(=O)N1Cc1ccccc1F ZINC000009262867 557833673 /nfs/dbraw/zinc/83/36/73/557833673.db2.gz HBSULDDPRHQBEE-FYJGNVAPSA-N 0 0 420.415 4.637 50 0 HJAARN Cc1cc(Br)cc(C)c1NC(=O)CSc1nnc(-c2ccccc2)o1 ZINC000009305402 557835986 /nfs/dbraw/zinc/83/59/86/557835986.db2.gz SWNPMIPWVWXCLB-UHFFFAOYSA-N 0 0 418.316 4.847 50 0 HJAARN CCc1nc2sc([C@H](c3ccc(C(F)(F)F)cc3)[NH+]3CCC(C)CC3)c([O-])n2n1 ZINC000022853343 557840212 /nfs/dbraw/zinc/84/02/12/557840212.db2.gz CPRUHYJUCXVLLU-INIZCTEOSA-N 0 0 424.492 4.899 50 0 HJAARN COc1ccc([C@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)NC(C)=O)cc1 ZINC000022866336 557841352 /nfs/dbraw/zinc/84/13/52/557841352.db2.gz PUUCIQLVGPIQPH-QHCPKHFHSA-N 0 0 404.466 4.694 50 0 HJAARN COc1ccc(NC(=O)Nc2ccc(Nc3nc(C)cc(N4CCCC4)n3)cc2)cc1 ZINC000009573437 557845953 /nfs/dbraw/zinc/84/59/53/557845953.db2.gz HAIGUYARFWIUMI-UHFFFAOYSA-N 0 0 418.501 4.781 50 0 HJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1cc(-c2ccccc2O)on1 ZINC000009597902 557846564 /nfs/dbraw/zinc/84/65/64/557846564.db2.gz UEDUTGXBLDZPEC-UHFFFAOYSA-N 0 0 422.872 4.815 50 0 HJAARN Cc1nn2c(nnc(C(=O)Nc3ccccc3C(F)(F)F)c2C)c1-c1ccccc1 ZINC000009698405 557848749 /nfs/dbraw/zinc/84/87/49/557848749.db2.gz OTYMKWVUCXXHLX-UHFFFAOYSA-N 0 0 411.387 4.679 50 0 HJAARN CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3ccccc3C(C)C)cc2)CC1=O ZINC000010461926 558257737 /nfs/dbraw/zinc/25/77/37/558257737.db2.gz XYPBQTNVBVJAOS-IBGZPJMESA-N 0 0 421.541 4.649 50 0 HJAARN CCOc1c(Cl)cc(C[NH2+][C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1Cl ZINC000010475470 558258143 /nfs/dbraw/zinc/25/81/43/558258143.db2.gz KLKPJMSGAWODEM-GOSISDBHSA-N 0 0 407.297 4.659 50 0 HJAARN COc1cc(CN[C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)c(Cl)cc1O ZINC000019731145 558259578 /nfs/dbraw/zinc/25/95/78/558259578.db2.gz QHZBGEUQJRQPGH-LLVKDONJSA-N 0 0 407.848 4.677 50 0 HJAARN COc1ccc(OC)c(-c2nc(CN(C)[C@@H](C)c3nc(C)sc3C)c(C)o2)c1 ZINC000011662440 558266183 /nfs/dbraw/zinc/26/61/83/558266183.db2.gz QSUNNGSEVONLCB-LBPRGKRZSA-N 0 0 401.532 4.934 50 0 HJAARN Cn1c(CN2CCC[C@@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)nc2ccccc21 ZINC000011663404 558267031 /nfs/dbraw/zinc/26/70/31/558267031.db2.gz BPKSMEAPZCFOLV-LJQANCHMSA-N 0 0 414.509 4.684 50 0 HJAARN Cc1ccccc1OCCCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccco1 ZINC000011667388 558269329 /nfs/dbraw/zinc/26/93/29/558269329.db2.gz QHINEZFTAJCVMG-GOSISDBHSA-N 0 0 403.482 4.898 50 0 HJAARN CCOC(=O)C1(C[C@H]2CCCCO2)CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000011700162 558270611 /nfs/dbraw/zinc/27/06/11/558270611.db2.gz WYMLFKMVVWTZBB-LJQANCHMSA-N 0 0 413.480 4.810 50 0 HJAARN CC(C)c1ccc(CN2CCN([C@@H](C)c3nnc(-c4ccc(F)cc4)o3)CC2)cc1 ZINC000022925527 558271712 /nfs/dbraw/zinc/27/17/12/558271712.db2.gz QRDJYNYWSOQQCV-SFHVURJKSA-N 0 0 408.521 4.878 50 0 HJAARN CCc1ccc2nc(C)cc(C(=O)N3CCC[C@@](CO)(Cc4ccc(F)cc4)C3)c2c1 ZINC000011769957 558274394 /nfs/dbraw/zinc/27/43/94/558274394.db2.gz OZHDOJJICUZQRA-AREMUKBSSA-N 0 0 420.528 4.702 50 0 HJAARN O=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000019808980 558286092 /nfs/dbraw/zinc/28/60/92/558286092.db2.gz DBDJAKVHNDKHET-UHFFFAOYSA-N 0 0 404.941 4.816 50 0 HJAARN COc1cc(CN2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)c(Cl)cc1O ZINC000011841825 558287474 /nfs/dbraw/zinc/28/74/74/558287474.db2.gz NTXSGOVGEWLNTC-OAHLLOKOSA-N 0 0 405.947 4.871 50 0 HJAARN Cc1noc(C)c1C(=O)NC[C@H]1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1 ZINC000011868624 558289996 /nfs/dbraw/zinc/28/99/96/558289996.db2.gz JVDNBDRHEMDIKL-OAHLLOKOSA-N 0 0 416.399 4.711 50 0 HJAARN COc1ccc(-c2nn3c(nnc3-c3cc(-c4ccc(Cl)cc4)n[nH]3)s2)cc1 ZINC000019827365 558291182 /nfs/dbraw/zinc/29/11/82/558291182.db2.gz UFGRTGRLWKMZGJ-UHFFFAOYSA-N 0 0 408.874 4.572 50 0 HJAARN COC(=O)c1ccc(-c2nc(CN3CCC[C@@H]3c3ccccc3OC)c(C)o2)cc1 ZINC000011879348 558293915 /nfs/dbraw/zinc/29/39/15/558293915.db2.gz TZWADMVUCHNZIY-OAQYLSRUSA-N 0 0 406.482 4.782 50 0 HJAARN COc1ccc(NC(=O)[C@@H]2CC23CCN(C(=O)c2ccccc2C)CC3)cc1Cl ZINC000011881429 558295203 /nfs/dbraw/zinc/29/52/03/558295203.db2.gz VCGFLWJRQKGJGJ-SFHVURJKSA-N 0 0 412.917 4.538 50 0 HJAARN CN(Cc1cc2ccccc2s1)C(=O)CCc1nnc(CCc2ccccc2)o1 ZINC000011933045 558297876 /nfs/dbraw/zinc/29/78/76/558297876.db2.gz DEADUMCSGCTXCB-UHFFFAOYSA-N 0 0 405.523 4.661 50 0 HJAARN CCOC(=O)[C@]1(CCc2ccccc2)CCCN(C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000011933895 558298362 /nfs/dbraw/zinc/29/83/62/558298362.db2.gz KQDVNZWBOIQQMY-VWLOTQADSA-N 0 0 422.525 4.699 50 0 HJAARN Cc1c2ccc(C)cc2oc1C(=O)N1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000011938505 558301917 /nfs/dbraw/zinc/30/19/17/558301917.db2.gz UBMZJMMZACRTNF-GOSISDBHSA-N 0 0 406.482 4.538 50 0 HJAARN CCOC(=O)c1cnc2cc(OC)ccc2c1Sc1nnc(-c2ccccc2)o1 ZINC000019897625 558303976 /nfs/dbraw/zinc/30/39/76/558303976.db2.gz VUJHCCDGUNRSHB-UHFFFAOYSA-N 0 0 407.451 4.621 50 0 HJAARN CCOC(=O)c1c(C)oc2c1c1c(c3ccccc23)OCN(Cc2ccccn2)C1 ZINC000019902802 558305647 /nfs/dbraw/zinc/30/56/47/558305647.db2.gz SNLQLLZURSXVPX-UHFFFAOYSA-N 0 0 402.450 4.818 50 0 HJAARN CC(C)c1csc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCCN24)n1 ZINC000012020748 558309480 /nfs/dbraw/zinc/30/94/80/558309480.db2.gz YOOUVXHTEGDWQO-BPXKWBHBSA-N 0 0 415.990 4.858 50 0 HJAARN O=c1c2cnc(N3CCc4ccccc4C3)nc2ccn1-c1cc(Cl)cc(Cl)c1 ZINC000019959029 558315298 /nfs/dbraw/zinc/31/52/98/558315298.db2.gz MBDJWPISQHDMFX-UHFFFAOYSA-N 0 0 423.303 4.650 50 0 HJAARN CSCCC(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3F)cc2)CC1 ZINC000012056859 558316104 /nfs/dbraw/zinc/31/61/04/558316104.db2.gz PYKNCZFCXNSBLF-UHFFFAOYSA-N 0 0 416.518 4.548 50 0 HJAARN COC[C@H]1CCN(C(=O)c2ccc3oc(-c4ccc(C(F)(F)F)cc4)nc3c2)C1 ZINC000012057798 558316689 /nfs/dbraw/zinc/31/66/89/558316689.db2.gz GFRAEYSXQOYZLR-ZDUSSCGKSA-N 0 0 404.388 4.622 50 0 HJAARN CC(C)Cn1c(CNC(=O)CC2CCCC2)nnc1SCc1ccccc1F ZINC000012134209 558333401 /nfs/dbraw/zinc/33/34/01/558333401.db2.gz XYSBUVNXOWZUOZ-UHFFFAOYSA-N 0 0 404.555 4.562 50 0 HJAARN COc1ccc(NC(=O)N2CCC[C@H](C(=O)c3ccc(SC)cc3)C2)cc1OC ZINC000012203238 558351988 /nfs/dbraw/zinc/35/19/88/558351988.db2.gz BRKDSHOMUXIPKN-INIZCTEOSA-N 0 0 414.527 4.553 50 0 HJAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000020311676 558355085 /nfs/dbraw/zinc/35/50/85/558355085.db2.gz BIBOVCPCOSIHJP-JZLODUJNSA-N 0 0 419.352 4.618 50 0 HJAARN CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1CN[C@@H](C)c1ccco1 ZINC000020363193 558358248 /nfs/dbraw/zinc/35/82/48/558358248.db2.gz DQTIAQGUPGNURV-HNNXBMFYSA-N 0 0 422.510 4.616 50 0 HJAARN Cc1ccccc1CN1CCN(C(=O)c2cc(-c3ccncc3)nc3ccccc32)CC1 ZINC000020418560 558361550 /nfs/dbraw/zinc/36/15/50/558361550.db2.gz QKSVNBWCNXZWFH-UHFFFAOYSA-N 0 0 422.532 4.563 50 0 HJAARN Cc1c2cc(C)cc(Cl)c2oc1C(=O)N1CCCC[C@@H]1CCN1CCCC1=O ZINC000012297491 558367584 /nfs/dbraw/zinc/36/75/84/558367584.db2.gz OXHINQPKHGWUSL-MRXNPFEDSA-N 0 0 402.922 4.710 50 0 HJAARN O=C(c1ccc2oc(-c3cccc(F)c3)nc2c1)N1CCC(O)(c2ccccc2)CC1 ZINC000012298665 558368773 /nfs/dbraw/zinc/36/87/73/558368773.db2.gz WMOHWNUWXUJGNZ-UHFFFAOYSA-N 0 0 416.452 4.758 50 0 HJAARN CN(CC[C@H](O)c1ccccc1)C(=O)c1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000012303949 558373407 /nfs/dbraw/zinc/37/34/07/558373407.db2.gz NDFXQVZBLWMMRX-NRFANRHFSA-N 0 0 404.441 4.830 50 0 HJAARN O=C(CCc1ccncc1)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 ZINC000012319948 558382017 /nfs/dbraw/zinc/38/20/17/558382017.db2.gz SLCJRNHJCOGJIM-JOCHJYFZSA-N 0 0 416.496 4.942 50 0 HJAARN O=C(Oc1ccccc1/C=C1/N=C(c2ccccc2)OC1=O)c1ccc(Cl)cc1 ZINC000020509821 558382400 /nfs/dbraw/zinc/38/24/00/558382400.db2.gz NQAPUXVLVBZPGY-XMHGGMMESA-N 0 0 403.821 4.904 50 0 HJAARN COc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cnc(SC)nc2)c1 ZINC000020534269 558385490 /nfs/dbraw/zinc/38/54/90/558385490.db2.gz IFVWVCAIBBPUHB-HSZRJFAPSA-N 0 0 416.550 4.836 50 0 HJAARN O=C(NC[C@H]1CCCN(C(=O)C2=CCCCC2)C1)c1ccc(-c2ccccc2)cc1 ZINC000012372960 558390264 /nfs/dbraw/zinc/39/02/64/558390264.db2.gz VOFNADSOCRLGPV-HXUWFJFHSA-N 0 0 402.538 4.822 50 0 HJAARN COc1ccc(-n2nc(C3CC3)c3c2nc(-c2cn(C)nc2C)cc3C(F)F)cc1 ZINC000020615034 558392095 /nfs/dbraw/zinc/39/20/95/558392095.db2.gz BWIXWWBMEQHJSU-UHFFFAOYSA-N 0 0 409.440 4.953 50 0 HJAARN COCCn1c2nc(-c3ccc(C(C)C)cc3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020615534 558392491 /nfs/dbraw/zinc/39/24/91/558392491.db2.gz ALLOQPWKXPLQHZ-UHFFFAOYSA-N 0 0 423.460 4.910 50 0 HJAARN CSc1nsc(S[C@@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)n1 ZINC000012380233 558393060 /nfs/dbraw/zinc/39/30/60/558393060.db2.gz QMWWJZQUOQKAQP-MRXNPFEDSA-N 0 0 415.565 4.935 50 0 HJAARN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C1=O ZINC000012381066 558393344 /nfs/dbraw/zinc/39/33/44/558393344.db2.gz MVBPYJCLOUVLFX-GMROUXNLSA-N 0 0 423.899 4.682 50 0 HJAARN COc1ccc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)cc1 ZINC000012387796 558396666 /nfs/dbraw/zinc/39/66/66/558396666.db2.gz HLKLBSYWVLWJNX-XMMPIXPASA-N 0 0 417.509 4.876 50 0 HJAARN Cc1nn2c(ncc3c(=O)n(-c4ccccc4F)ccc32)c1-c1ccc(Cl)cc1 ZINC000012391006 558396929 /nfs/dbraw/zinc/39/69/29/558396929.db2.gz JNIHOHCCGXQXIB-UHFFFAOYSA-N 0 0 404.832 4.801 50 0 HJAARN CCCC[C@@H](CC)C(=O)OCCOCCOCCOC(=O)[C@@H](CC)CCCC ZINC000012405232 558398045 /nfs/dbraw/zinc/39/80/45/558398045.db2.gz FRQDZJMEHSJOPU-BGYRXZFFSA-N 0 0 402.572 4.539 50 0 HJAARN O=C(Nc1cccnc1)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000020715455 558401136 /nfs/dbraw/zinc/40/11/36/558401136.db2.gz KKPRVYHFOODUBN-HSZRJFAPSA-N 0 0 411.505 4.773 50 0 HJAARN Cc1nn(-c2ncccn2)c2c1[C@@H](c1ccc(Cl)cc1Cl)SCC(=O)N2 ZINC000020719477 558402579 /nfs/dbraw/zinc/40/25/79/558402579.db2.gz FKMNLFKVXSJRJR-OAHLLOKOSA-N 0 0 406.298 4.702 50 0 HJAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2NCCc2ccccc2)cc1 ZINC000012419379 558403084 /nfs/dbraw/zinc/40/30/84/558403084.db2.gz KBPNJFUHHAKECR-UHFFFAOYSA-N 0 0 408.479 4.730 50 0 HJAARN Cc1ccc(-n2ncc3c2NC(=O)C[C@]32c3ccccc3N(CC(C)C)C2=O)c(C)c1 ZINC000020733628 558407297 /nfs/dbraw/zinc/40/72/97/558407297.db2.gz KVGXOKPZQGUEHX-VWLOTQADSA-N 0 0 414.509 4.770 50 0 HJAARN Cc1nc(C)c(CC(=O)N[C@H](C)c2cnn(-c3cccc4ccccc43)c2C)s1 ZINC000012437656 558409550 /nfs/dbraw/zinc/40/95/50/558409550.db2.gz WGEVSBGATPUIHA-CQSZACIVSA-N 0 0 404.539 4.827 50 0 HJAARN COc1cc2c(cc(C(=O)N3CCc4[nH]c5ccc(Cl)cc5c4C3)n2C)c(OC)c1 ZINC000020761567 558411423 /nfs/dbraw/zinc/41/14/23/558411423.db2.gz FGNNRUJZMHWYBW-UHFFFAOYSA-N 0 0 423.900 4.529 50 0 biogenic HJAARN O=C(NC[C@@H]1Cc2cccc(-c3ccncc3)c2O1)c1csc(-c2cccs2)n1 ZINC000020820683 558416768 /nfs/dbraw/zinc/41/67/68/558416768.db2.gz CQWNDHFQHXNSPL-INIZCTEOSA-N 0 0 419.531 4.667 50 0 HJAARN O=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)NCc1ccsc1 ZINC000012466768 558420663 /nfs/dbraw/zinc/42/06/63/558420663.db2.gz IERXOKYQBTZXJH-UHFFFAOYSA-N 0 0 401.919 4.504 50 0 HJAARN C[C@@H](NC(=O)c1ccc(NC(=O)N2CCSc3ncccc32)cc1)c1ccccc1 ZINC000020939143 558424652 /nfs/dbraw/zinc/42/46/52/558424652.db2.gz LSQNYDNZAJXASH-MRXNPFEDSA-N 0 0 418.522 4.717 50 0 HJAARN Cc1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1ccc(Cl)cc1 ZINC000004341642 558425197 /nfs/dbraw/zinc/42/51/97/558425197.db2.gz NEYGIJFFFITVBB-UHFFFAOYSA-N 0 0 409.902 4.508 50 0 HJAARN FC(F)(F)c1ccc(-c2noc(CN3CCN(c4ccc(Cl)cc4)CC3)n2)cc1 ZINC000020995147 558426606 /nfs/dbraw/zinc/42/66/06/558426606.db2.gz MZESFIMMNLXULA-UHFFFAOYSA-N 0 0 422.838 4.731 50 0 HJAARN CNC(=O)c1c2c(sc1NC(=O)C(c1ccccc1)c1ccccc1)CCCC2 ZINC000004348799 558428388 /nfs/dbraw/zinc/42/83/88/558428388.db2.gz LLLNCSNJEUCVBV-UHFFFAOYSA-N 0 0 404.535 4.757 50 0 HJAARN Cc1ccnn1CCC(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)c(F)c2)C1 ZINC000012591089 558435729 /nfs/dbraw/zinc/43/57/29/558435729.db2.gz KQPBGBSVCRVDOZ-OAQYLSRUSA-N 0 0 419.500 4.509 50 0 HJAARN Cc1ncsc1CCC(=O)N1CCC[C@@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000012591486 558435980 /nfs/dbraw/zinc/43/59/80/558435980.db2.gz HAMQCRAWPZMTTB-OAHLLOKOSA-N 0 0 410.461 4.524 50 0 HJAARN COc1cccc(C[C@]2(CO)CCCN(Cc3nc(-c4cccs4)oc3C)C2)c1 ZINC000012593654 558436545 /nfs/dbraw/zinc/43/65/45/558436545.db2.gz JEZSXLBKQNAPOM-HSZRJFAPSA-N 0 0 412.555 4.537 50 0 HJAARN Cn1ccnc1[C@@H](NC(=O)Cc1csc(-c2cccc(Cl)c2)n1)c1ccccc1 ZINC000012630067 558441324 /nfs/dbraw/zinc/44/13/24/558441324.db2.gz DYCWVYDKXSBKDV-FQEVSTJZSA-N 0 0 422.941 4.645 50 0 HJAARN CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc1 ZINC000012631091 558441886 /nfs/dbraw/zinc/44/18/86/558441886.db2.gz URAJLMXKQAKYCG-SMEDBKPVSA-N 0 0 424.522 4.847 50 0 HJAARN COc1cccc(C(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2Cl)c1 ZINC000021639249 558444249 /nfs/dbraw/zinc/44/42/49/558444249.db2.gz SWHOUUKACSXAHZ-FQEVSTJZSA-N 0 0 419.868 4.918 50 0 HJAARN COC(=O)c1ccc(CSc2nnc(-c3ccccc3F)n2-c2ccccc2)o1 ZINC000004357188 558445294 /nfs/dbraw/zinc/44/52/94/558445294.db2.gz KPAYUJVNUCNATO-UHFFFAOYSA-N 0 0 409.442 4.745 50 0 HJAARN CC(C)(C)OC(=O)CSc1nnc(Cc2ccccc2)n1-c1cccc(Cl)c1 ZINC000004357895 558446284 /nfs/dbraw/zinc/44/62/84/558446284.db2.gz BYKBOEXLXBMNMQ-UHFFFAOYSA-N 0 0 415.946 4.945 50 0 HJAARN Cc1nc(-c2cccs2)sc1C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000021703754 558446261 /nfs/dbraw/zinc/44/62/61/558446261.db2.gz VOYLAGURWIXXMI-HNNXBMFYSA-N 0 0 412.536 4.929 50 0 HJAARN Cc1ccccc1-n1c(SCC(=O)OCc2ccccc2)nnc1-c1ccco1 ZINC000004358002 558446448 /nfs/dbraw/zinc/44/64/48/558446448.db2.gz KNTKYHIVYLAGCZ-UHFFFAOYSA-N 0 0 405.479 4.671 50 0 HJAARN COc1ccc(CCNc2cc(C)nc3c(-c4ccc(F)cc4)cnn32)cc1OC ZINC000021799016 558449917 /nfs/dbraw/zinc/44/99/17/558449917.db2.gz JJJOKNIGXHDIEJ-UHFFFAOYSA-N 0 0 406.461 4.516 50 0 HJAARN COc1ccccc1CCC(=O)N1CCC[C@H](C(=O)c2cccc3ccccc32)C1 ZINC000012711083 558452460 /nfs/dbraw/zinc/45/24/60/558452460.db2.gz DYNFBKNRFSNWNN-NRFANRHFSA-N 0 0 401.506 4.903 50 0 HJAARN Cc1nc2ccc(NC(=O)CCC(=O)c3ccc(Br)cc3)cc2s1 ZINC000010784104 558452751 /nfs/dbraw/zinc/45/27/51/558452751.db2.gz FJPUAUONWMMBRX-UHFFFAOYSA-N 0 0 403.301 4.969 50 0 HJAARN O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 ZINC000012712949 558453519 /nfs/dbraw/zinc/45/35/19/558453519.db2.gz FIWSLEAJGQNMHN-HSZRJFAPSA-N 0 0 404.554 4.711 50 0 HJAARN O=C(c1ccccc1F)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000021959600 558456687 /nfs/dbraw/zinc/45/66/87/558456687.db2.gz PAFFLGMRYSWRIN-UHFFFAOYSA-N 0 0 410.439 4.651 50 0 HJAARN O=C(Cn1ccnc1)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1Cl ZINC000010809623 558457096 /nfs/dbraw/zinc/45/70/96/558457096.db2.gz HHLSEHIPLQTCCU-QGZVFWFLSA-N 0 0 413.308 4.620 50 0 HJAARN COc1ccc2[nH]c(C(=O)N[C@H](C)c3cnn(-c4ccccc4C)c3C)c(C)c2c1 ZINC000012744865 558457923 /nfs/dbraw/zinc/45/79/23/558457923.db2.gz PQUVXIUJUZYDMK-MRXNPFEDSA-N 0 0 402.498 4.778 50 0 HJAARN Cc1ccc(C)c(C(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccco2)c1 ZINC000012777678 558462845 /nfs/dbraw/zinc/46/28/45/558462845.db2.gz CBCFXQBVZXOOJB-KRWDZBQOSA-N 0 0 418.522 4.962 50 0 HJAARN Cc1cc2c(c(C)c1)N1C(=N[C@](c3ccccc3)(C(F)(F)F)N(C(N)=O)C1=O)S2 ZINC000012788548 558464029 /nfs/dbraw/zinc/46/40/29/558464029.db2.gz JZCLQBGWGPZJHM-SFHVURJKSA-N 0 0 420.416 4.501 50 0 HJAARN CCOc1ccc(CCNC(=O)c2occc2COc2ccccc2)cc1OCC ZINC000022138239 558464497 /nfs/dbraw/zinc/46/44/97/558464497.db2.gz YFUWYKQIDZIKSM-UHFFFAOYSA-N 0 0 409.482 4.629 50 0 HJAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000012792798 558466688 /nfs/dbraw/zinc/46/66/88/558466688.db2.gz HPXIUWHCDRMJGJ-UHFFFAOYSA-N 0 0 417.406 4.791 50 0 HJAARN C[C@H]1c2ccsc2CCN1C(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000012795896 558468854 /nfs/dbraw/zinc/46/88/54/558468854.db2.gz BUXAWAABGMJXAH-KRWDZBQOSA-N 0 0 414.534 4.814 50 0 HJAARN Cc1ccc(-c2csc(NC(=O)CN3C(=S)N=NC3c3cccc(C)c3)n2)cc1 ZINC000012798449 558470510 /nfs/dbraw/zinc/47/05/10/558470510.db2.gz XXPVXIQXFGSVCD-UHFFFAOYSA-N 0 0 421.551 4.613 50 0 HJAARN O=C(NCCSCc1ccccc1F)c1ccccc1CSC1=NCCS1 ZINC000012798871 558470845 /nfs/dbraw/zinc/47/08/45/558470845.db2.gz VHKNORWZJRRIAP-UHFFFAOYSA-N 0 0 420.600 4.825 50 0 HJAARN CCOc1ccc(C(=O)CSc2nnc(COc3ccccc3Cl)o2)cc1 ZINC000012800387 558471402 /nfs/dbraw/zinc/47/14/02/558471402.db2.gz XUZKZRKKKUKTFJ-UHFFFAOYSA-N 0 0 404.875 4.676 50 0 HJAARN CCCC[C@@H](Sc1n[nH]c(-c2ccc(Cl)cc2)n1)C(=O)Nc1cc(C)on1 ZINC000022279487 558475711 /nfs/dbraw/zinc/47/57/11/558475711.db2.gz HMJNLEDKIPLVBE-CQSZACIVSA-N 0 0 405.911 4.711 50 0 HJAARN O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)c1cc2ccccc2oc1=O ZINC000004375331 558475866 /nfs/dbraw/zinc/47/58/66/558475866.db2.gz YXFPYGVVGRKFTN-UHFFFAOYSA-N 0 0 410.882 4.542 50 0 HJAARN O=C(CCCn1cnc2ccccc2c1=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000022283716 558476213 /nfs/dbraw/zinc/47/62/13/558476213.db2.gz BWUGOJWNBDYGDY-UHFFFAOYSA-N 0 0 424.460 4.624 50 0 HJAARN CCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)c1cccs1 ZINC000004379395 558477609 /nfs/dbraw/zinc/47/76/09/558477609.db2.gz VMQFYUMGJNWCLO-UHFFFAOYSA-N 0 0 424.566 4.773 50 0 HJAARN O=C(Nc1cnn(C23CC4CC(CC(C4)C2)C3)c1)c1cc(-c2ccc(F)cc2)no1 ZINC000012849013 558479149 /nfs/dbraw/zinc/47/91/49/558479149.db2.gz YWKNCCDFIZCXCJ-UHFFFAOYSA-N 0 0 406.461 4.855 50 0 HJAARN O=C(Nc1cc2c(cc1[C@@H](O)c1ccc(Cl)cc1)OCCO2)c1cccs1 ZINC000012858478 558481019 /nfs/dbraw/zinc/48/10/19/558481019.db2.gz RBUJZZFIGUATBJ-IBGZPJMESA-N 0 0 401.871 4.507 50 0 HJAARN COCc1nc2ccccc2c(C)c1C(=O)OCc1cc(Cl)cc2c1OCOC2 ZINC000022356963 558482805 /nfs/dbraw/zinc/48/28/05/558482805.db2.gz FBMVZAAIEGJVBE-UHFFFAOYSA-N 0 0 413.857 4.567 50 0 HJAARN CCN(C(=O)CSc1nnc(-c2ccccc2Br)o1)C1=CCCC1 ZINC000012914273 558484709 /nfs/dbraw/zinc/48/47/09/558484709.db2.gz QQAXUVRQXZQGAS-UHFFFAOYSA-N 0 0 408.321 4.508 50 0 HJAARN C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 ZINC000004389752 558488410 /nfs/dbraw/zinc/48/84/10/558488410.db2.gz GUYARDYVEODDND-IAGOWNOFSA-N 0 0 423.538 4.547 50 0 HJAARN Cc1ccc(-c2csc3ncnc(NC4CCN(C(=O)c5ccco5)CC4)c23)cc1 ZINC000012974642 558490582 /nfs/dbraw/zinc/49/05/82/558490582.db2.gz PCFLRCKIDCHICH-UHFFFAOYSA-N 0 0 418.522 4.976 50 0 HJAARN CC(C)c1ccc(CN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)C2CC2)cc1 ZINC000012975477 558491238 /nfs/dbraw/zinc/49/12/38/558491238.db2.gz JVCIQQUVQNWYHW-UHFFFAOYSA-N 0 0 407.482 4.611 50 0 HJAARN C[C@@H](C(=O)Nc1ccc(Br)cc1)N(C)Cc1nc2ccccc2s1 ZINC000012979375 558492934 /nfs/dbraw/zinc/49/29/34/558492934.db2.gz IPKIQNSDMSRIHW-LBPRGKRZSA-N 0 0 404.333 4.518 50 0 HJAARN Cn1cccc1[C@H]1CCCN1Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000012979608 558492977 /nfs/dbraw/zinc/49/29/77/558492977.db2.gz TULHHXWVLOSNCN-GOSISDBHSA-N 0 0 424.957 4.981 50 0 HJAARN C[C@H](C(=O)Nc1ccc(Br)cc1)N(C)Cc1nc2ccccc2s1 ZINC000012979373 558492990 /nfs/dbraw/zinc/49/29/90/558492990.db2.gz IPKIQNSDMSRIHW-GFCCVEGCSA-N 0 0 404.333 4.518 50 0 HJAARN O=C(COc1ccc(Br)cc1F)N[C@H](c1cccs1)c1ccccc1 ZINC000012981739 558493560 /nfs/dbraw/zinc/49/35/60/558493560.db2.gz AUZOKTVDNUYNMV-IBGZPJMESA-N 0 0 420.303 4.934 50 0 HJAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccccc1OC(F)(F)F ZINC000012999276 558499623 /nfs/dbraw/zinc/49/96/23/558499623.db2.gz TWCMRDQOJQFIME-UHFFFAOYSA-N 0 0 424.400 4.730 50 0 HJAARN CCOc1ccccc1NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000013013820 558503582 /nfs/dbraw/zinc/50/35/82/558503582.db2.gz XMLSMIJTZAQZBH-ROUUACIJSA-N 0 0 410.514 4.506 50 0 HJAARN O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccc(Br)o1 ZINC000013016259 558504040 /nfs/dbraw/zinc/50/40/40/558504040.db2.gz KDOKZZURQADCHJ-UHFFFAOYSA-N 0 0 417.650 4.682 50 0 HJAARN O=C(CSc1ccccc1C(=O)Nc1cccc(Cl)c1)NCc1ccco1 ZINC000013042174 558507956 /nfs/dbraw/zinc/50/79/56/558507956.db2.gz AFDMCXVUFAINIL-UHFFFAOYSA-N 0 0 400.887 4.594 50 0 HJAARN Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N(C)CC(=O)Nc2ccc(F)cc2)c1 ZINC000013056693 558508627 /nfs/dbraw/zinc/50/86/27/558508627.db2.gz NFQLZNPPKRVKFL-XMMPIXPASA-N 0 0 419.500 4.693 50 0 HJAARN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(Cc2cccs2)CC1 ZINC000022784254 558510565 /nfs/dbraw/zinc/51/05/65/558510565.db2.gz YWDIRYCUEZLZJX-IBGZPJMESA-N 0 0 405.567 4.560 50 0 HJAARN CCN(CC(=O)Nc1cc(Cl)ccc1Cl)Cc1cc(=O)oc2cc(C)ccc12 ZINC000013069562 558510946 /nfs/dbraw/zinc/51/09/46/558510946.db2.gz QQVPFULYYGNTLJ-UHFFFAOYSA-N 0 0 419.308 4.869 50 0 HJAARN O=C(c1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CCC[C@H]1c1cccs1 ZINC000013069027 558511022 /nfs/dbraw/zinc/51/10/22/558511022.db2.gz YIACVWGZYBMEPS-IBGZPJMESA-N 0 0 412.536 4.526 50 0 HJAARN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(Cc2ccccc2F)CC1 ZINC000022789292 558511570 /nfs/dbraw/zinc/51/15/70/558511570.db2.gz VNNIZKVVMXJMLO-FQEVSTJZSA-N 0 0 417.528 4.638 50 0 HJAARN Cc1cc(OCCCC(=O)N2CCN(c3cccc(C)c3C)CC2)ccc1Cl ZINC000013095725 558512916 /nfs/dbraw/zinc/51/29/16/558512916.db2.gz WVSDYAVJYKXPCG-UHFFFAOYSA-N 0 0 400.950 4.773 50 0 HJAARN CCOc1ccc(C(C)=O)cc1CN(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000013096109 558512979 /nfs/dbraw/zinc/51/29/79/558512979.db2.gz UEUIQRZOXSEBNW-UHFFFAOYSA-N 0 0 409.313 4.665 50 0 HJAARN CC(=O)N1CCc2cc(Nc3nc(CN4CCCC4)nc4sc(C)c(C)c43)ccc21 ZINC000022803295 558513550 /nfs/dbraw/zinc/51/35/50/558513550.db2.gz QJLSRNPKHKJHHH-UHFFFAOYSA-N 0 0 421.570 4.557 50 0 HJAARN COC(=O)c1cc(CNc2ncnc3cc(-c4ccc(F)cc4)sc32)ccc1OC ZINC000013110161 558515367 /nfs/dbraw/zinc/51/53/67/558515367.db2.gz RPDSHGNHQUHREZ-UHFFFAOYSA-N 0 0 423.469 4.905 50 0 HJAARN Clc1cccc(Cl)c1CSc1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000013146119 558522902 /nfs/dbraw/zinc/52/29/02/558522902.db2.gz BCTBPVBPNRZDGH-UHFFFAOYSA-N 0 0 421.353 4.703 50 0 HJAARN CSc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 ZINC000013228273 558527399 /nfs/dbraw/zinc/52/73/99/558527399.db2.gz ISZICNUEWDIEFY-NRFANRHFSA-N 0 0 414.486 4.968 50 0 HJAARN C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000023030138 558530912 /nfs/dbraw/zinc/53/09/12/558530912.db2.gz RXXCNHGNPLFONF-KEAGSLSDSA-N 0 0 409.574 4.652 50 0 HJAARN O=C(Nc1ccccc1)C1CCN(C(=O)c2ccccc2COc2ccccc2)CC1 ZINC000023040825 558531224 /nfs/dbraw/zinc/53/12/24/558531224.db2.gz GJOLXEZUGKUABQ-UHFFFAOYSA-N 0 0 414.505 4.757 50 0 HJAARN COc1cc(CN(C)C(=O)[C@]2(C)CC2(Cl)Cl)ccc1OCc1ccccc1 ZINC000023040256 558531261 /nfs/dbraw/zinc/53/12/61/558531261.db2.gz CXMAXYVUNNOHPR-FQEVSTJZSA-N 0 0 408.325 4.817 50 0 HJAARN COc1ccc(-c2csc3ncnc(NCc4ccc(-n5ccnc5)nc4)c23)cc1 ZINC000023077809 558533489 /nfs/dbraw/zinc/53/34/89/558533489.db2.gz YMYHKVXAHSMJGM-UHFFFAOYSA-N 0 0 414.494 4.560 50 0 HJAARN COc1ccc(Nc2cc(C)nc3c(C)c(-c4ccc(OC)c(OC)c4)nn32)cc1 ZINC000023118858 558534980 /nfs/dbraw/zinc/53/49/80/558534980.db2.gz FMPHKMVMJBSUGO-UHFFFAOYSA-N 0 0 404.470 4.783 50 0 HJAARN OCCOc1cccc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(F)cc2)c1 ZINC000023129090 558536961 /nfs/dbraw/zinc/53/69/61/558536961.db2.gz MKCSNCQRDIQPCW-SANMLTNESA-N 0 0 416.496 4.826 50 0 HJAARN O=[N+]([O-])/C(C(Cl)=C(Cl)Cl)=C(\SCc1ccccc1)N1CCOCC1 ZINC000013563021 558540613 /nfs/dbraw/zinc/54/06/13/558540613.db2.gz ACJARRGYHWAVBH-SQFISAMPSA-N 0 0 409.722 4.583 50 0 HJAARN CC[C@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)c1cccs1 ZINC000004425242 558543987 /nfs/dbraw/zinc/54/39/87/558543987.db2.gz OOWMYNAQEZDAFC-IBGZPJMESA-N 0 0 424.566 4.853 50 0 HJAARN CN1C[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000013591077 558546132 /nfs/dbraw/zinc/54/61/32/558546132.db2.gz ASQFCOLZFPITDH-RZTXVSJASA-N 0 0 416.908 4.716 50 0 HJAARN COc1ccc([C@@H]2CCCN2C(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1OC ZINC000023386370 558556231 /nfs/dbraw/zinc/55/62/31/558556231.db2.gz ILLJNBOBQPDOPO-NRFANRHFSA-N 0 0 407.510 4.519 50 0 HJAARN O=C(CNC(=O)c1ccc2noc(-c3ccccc3)c2c1)Nc1cccc(Cl)c1 ZINC000013654137 558558609 /nfs/dbraw/zinc/55/86/09/558558609.db2.gz CIFYSKWIOKENSX-UHFFFAOYSA-N 0 0 405.841 4.517 50 0 HJAARN CN(Cc1cc2cccc3c2n(c1=O)CC3)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000013690283 558572305 /nfs/dbraw/zinc/57/23/05/558572305.db2.gz CTBTXAQNNZKELE-UHFFFAOYSA-N 0 0 402.281 4.528 50 0 HJAARN O=C(c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCO[C@@H](c2ccccc2)C1 ZINC000023896952 558580693 /nfs/dbraw/zinc/58/06/93/558580693.db2.gz HBIJNZCFZABXSR-RUZDIDTESA-N 0 0 423.516 4.812 50 0 HJAARN Cc1nn(CC(C)C)c2sc(C(=O)N(C)Cc3ccccc3N3CCCC3)cc12 ZINC000023908018 558580955 /nfs/dbraw/zinc/58/09/55/558580955.db2.gz LELOHJPPAZRPKM-UHFFFAOYSA-N 0 0 410.587 4.935 50 0 HJAARN Cc1ccc(-c2csc3[nH]c(CN(C)CCOc4ccccc4)nc(=O)c23)s1 ZINC000023908378 558581060 /nfs/dbraw/zinc/58/10/60/558581060.db2.gz QFQGVFPWIRJKJT-UHFFFAOYSA-N 0 0 411.552 4.532 50 0 HJAARN COc1ccc(-c2nc(CSc3nc(C(F)(F)F)nc4ccccc43)no2)cc1 ZINC000024047111 558586289 /nfs/dbraw/zinc/58/62/89/558586289.db2.gz ZZOLFSUXLQCPPX-UHFFFAOYSA-N 0 0 418.400 5.000 50 0 HJAARN O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1cncc(Br)c1 ZINC000013731599 558586846 /nfs/dbraw/zinc/58/68/46/558586846.db2.gz PXRUJYLCXCJHAQ-UHFFFAOYSA-N 0 0 410.227 4.610 50 0 HJAARN CC(=O)Nc1nc2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2s1 ZINC000013734252 558587719 /nfs/dbraw/zinc/58/77/19/558587719.db2.gz VZRNRSXLVNMAQZ-UHFFFAOYSA-N 0 0 408.310 4.534 50 0 HJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000013757829 558590555 /nfs/dbraw/zinc/59/05/55/558590555.db2.gz NZKIFBJQPKELTR-NJDAHSKKSA-N 0 0 422.843 4.530 50 0 HJAARN CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3nc(C4CC4)nc4ccccc43)ccc21 ZINC000010949952 558598806 /nfs/dbraw/zinc/59/88/06/558598806.db2.gz ASKQDIFIFSSBAV-AWEZNQCLSA-N 0 0 417.534 4.780 50 0 HJAARN CCCc1ccc(OCC(=O)Oc2cc(Br)ccc2C(=O)OCC)cc1 ZINC000013896371 558600597 /nfs/dbraw/zinc/60/05/97/558600597.db2.gz SFSNQRLTGMFLCO-UHFFFAOYSA-N 0 0 421.287 4.563 50 0 HJAARN COc1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1NC(=O)c1cccs1 ZINC000004487796 558601081 /nfs/dbraw/zinc/60/10/81/558601081.db2.gz KYEBVJYFVOBOBK-UHFFFAOYSA-N 0 0 400.887 4.844 50 0 HJAARN CCOc1ccc(-c2noc(CCCC(=O)Nc3cc(C)ccc3C)n2)cc1OC ZINC000004488196 558601102 /nfs/dbraw/zinc/60/11/02/558601102.db2.gz KRSOEJQFSVKGQW-UHFFFAOYSA-N 0 0 409.486 4.722 50 0 HJAARN CCc1nnc(NC(=O)c2cc(-c3ccc(OC)cc3OC)nc3ccccc32)s1 ZINC000013954005 558607419 /nfs/dbraw/zinc/60/74/19/558607419.db2.gz AWZWHTKQSSPFED-UHFFFAOYSA-N 0 0 420.494 4.585 50 0 HJAARN CCc1ccc(C(=O)CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)cc1 ZINC000004490748 558609595 /nfs/dbraw/zinc/60/95/95/558609595.db2.gz RZDIOWNFQKPHOX-OAHLLOKOSA-N 0 0 412.534 4.566 50 0 HJAARN Cc1cc(C)cc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)c1 ZINC000004491960 558609705 /nfs/dbraw/zinc/60/97/05/558609705.db2.gz VWPVSRJYAVLWPM-QFIPXVFZSA-N 0 0 407.514 4.717 50 0 biogenic HJAARN CC[C@H](C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)cc1Cl ZINC000014009479 558613069 /nfs/dbraw/zinc/61/30/69/558613069.db2.gz QDVFFWNWEDTCGB-FHNWIRHTSA-N 0 0 402.853 4.749 50 0 HJAARN O=C1NC(=Cc2ccc(-c3cccc(Br)c3)o2)C(=O)N1c1ccccc1 ZINC000014009467 558613092 /nfs/dbraw/zinc/61/30/92/558613092.db2.gz SHZNVVCFMVEGIY-SFQUDFHCSA-N 0 0 409.239 4.806 50 0 HJAARN Cc1cccc(COc2ccc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)cc2)c1 ZINC000014009829 558613116 /nfs/dbraw/zinc/61/31/16/558613116.db2.gz XQWLRLZNFUAORS-OEAKJJBVSA-N 0 0 416.452 4.806 50 0 HJAARN COc1ccc(OC)c(-c2csc(NC(=O)CSc3ccc(C)cc3)n2)c1 ZINC000004496467 558615277 /nfs/dbraw/zinc/61/52/77/558615277.db2.gz MFFNFGQZBWOADH-UHFFFAOYSA-N 0 0 400.525 4.867 50 0 HJAARN O=C(CCCC(=O)OCc1ccc(F)cc1F)Nc1cccc(C(F)(F)F)c1 ZINC000004503271 558615708 /nfs/dbraw/zinc/61/57/08/558615708.db2.gz YMRWVRQWVFWVRV-UHFFFAOYSA-N 0 0 401.331 4.836 50 0 HJAARN COc1ccc([C@@H]2CCCN2C(=O)c2cc(C3CC3)nn2-c2ccccc2)c(OC)c1 ZINC000014066450 558616680 /nfs/dbraw/zinc/61/66/80/558616680.db2.gz YMWYDZBMGJPLOB-QFIPXVFZSA-N 0 0 417.509 4.744 50 0 HJAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000024842849 558617189 /nfs/dbraw/zinc/61/71/89/558617189.db2.gz HIMWXWYHVKPZGR-UHFFFAOYSA-N 0 0 412.486 4.810 50 0 HJAARN COc1ccc(C(C)=O)cc1CSCCC(=O)Nc1cc(Cl)ccc1OC ZINC000024843771 558617462 /nfs/dbraw/zinc/61/74/62/558617462.db2.gz VEVRFBJORHPPER-UHFFFAOYSA-N 0 0 407.919 4.822 50 0 HJAARN O=C(Nc1cccc(NC(=O)c2cccc(Nc3ncccn3)c2)c1)c1cccs1 ZINC000024857046 558617645 /nfs/dbraw/zinc/61/76/45/558617645.db2.gz MUDRFDOABAOCCC-UHFFFAOYSA-N 0 0 415.478 4.786 50 0 HJAARN O=C1Nc2ccccc2[C@]12Nc1ccc(Cl)cc1C(=O)N2Cc1ccc(Cl)cc1 ZINC000014077513 558618106 /nfs/dbraw/zinc/61/81/06/558618106.db2.gz KUXJRDGOEIYQEY-JOCHJYFZSA-N 0 0 424.287 4.866 50 0 HJAARN C[C@H](Oc1ccccc1F)c1nnc(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)o1 ZINC000014112931 558621195 /nfs/dbraw/zinc/62/11/95/558621195.db2.gz HYSNZGSUFZIYHH-QWRGUYRKSA-N 0 0 422.869 4.516 50 0 HJAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1ccccc1C(=O)c1ccccc1 ZINC000024928536 558621386 /nfs/dbraw/zinc/62/13/86/558621386.db2.gz YSAPWMMEBFPKGY-UHFFFAOYSA-N 0 0 419.431 4.935 50 0 HJAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(N4CCCCC4)cc3)o2)c1 ZINC000004509812 558623274 /nfs/dbraw/zinc/62/32/74/558623274.db2.gz KLZDTDWLSGFYCL-UHFFFAOYSA-N 0 0 408.527 4.766 50 0 HJAARN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)Nc1cccc(Cl)c1 ZINC000014153901 558625796 /nfs/dbraw/zinc/62/57/96/558625796.db2.gz ZKUHFZKRIQBPQF-UHFFFAOYSA-N 0 0 419.865 4.924 50 0 HJAARN CCc1ccccc1NC(=O)CN(C)C(=O)c1c2c(sc1-n1cccc1)CCCC2 ZINC000014169737 558627109 /nfs/dbraw/zinc/62/71/09/558627109.db2.gz YRTSWBUNPFEEBB-UHFFFAOYSA-N 0 0 421.566 4.691 50 0 HJAARN COC(=O)c1ccccc1NC(=O)c1sc(COc2ccc(Cl)cc2)nc1C ZINC000025049180 558628540 /nfs/dbraw/zinc/62/85/40/558628540.db2.gz MJVUQHGIBYJRJU-UHFFFAOYSA-N 0 0 416.886 4.723 50 0 HJAARN COc1ccc(OC)c([C@H]2CCCN2Cn2nc(-c3cccc(C)c3)n(C)c2=S)c1 ZINC000014185881 558630734 /nfs/dbraw/zinc/63/07/34/558630734.db2.gz SBODZJISCUCEIZ-HXUWFJFHSA-N 0 0 424.570 4.738 50 0 HJAARN O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc2c(c1)OCCO2 ZINC000010971757 558632910 /nfs/dbraw/zinc/63/29/10/558632910.db2.gz MOANEXKLIPLOJW-UHFFFAOYSA-N 0 0 420.412 4.776 50 0 HJAARN COc1cc(C(=O)N2CCC[C@@H]2c2ccccc2)ccc1OCc1c(C)noc1C ZINC000025162809 558633314 /nfs/dbraw/zinc/63/33/14/558633314.db2.gz LNFGJRSPVZLHSX-OAQYLSRUSA-N 0 0 406.482 4.856 50 0 HJAARN CN(CN1C(=O)NC2(CCCCCCC2)C1=O)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000014197189 558633870 /nfs/dbraw/zinc/63/38/70/558633870.db2.gz QFYAGBZPYDPJGC-JOCHJYFZSA-N 0 0 423.532 4.839 50 0 HJAARN O=C(NC1CC1)[C@H](Sc1nnc(Nc2ccc(F)cc2)s1)c1ccccc1 ZINC000014198392 558634580 /nfs/dbraw/zinc/63/45/80/558634580.db2.gz LCQCITDNJQALFB-MRXNPFEDSA-N 0 0 400.504 4.533 50 0 HJAARN CC(=O)N(C)Cc1ccc(C(=O)COc2c(C)cc(Br)cc2Cl)cc1 ZINC000014200780 558636349 /nfs/dbraw/zinc/63/63/49/558636349.db2.gz YKJRIIAMOUFCHZ-UHFFFAOYSA-N 0 0 424.722 4.651 50 0 HJAARN C[C@@H]1CCc2nc(NC(=O)c3ccccc3OCc3cn4ccccc4n3)sc2C1 ZINC000025280196 558636570 /nfs/dbraw/zinc/63/65/70/558636570.db2.gz BRIKJZSKDPTGOF-OAHLLOKOSA-N 0 0 418.522 4.747 50 0 HJAARN O=C(CSc1nnc(Cc2ccccc2)o1)N(Cc1ccco1)C1=CCCCC1 ZINC000014201371 558636763 /nfs/dbraw/zinc/63/67/63/558636763.db2.gz AFEUVYXBCPFWNI-UHFFFAOYSA-N 0 0 409.511 4.832 50 0 HJAARN Cc1ccccc1-c1nn(CN(Cc2ccccc2)CC(F)(F)F)c(=S)n1C ZINC000014223042 558638379 /nfs/dbraw/zinc/63/83/79/558638379.db2.gz DGVIHEFVRMKPLP-UHFFFAOYSA-N 0 0 406.477 4.949 50 0 HJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000014233181 558640529 /nfs/dbraw/zinc/64/05/29/558640529.db2.gz KIQLWFFSWDYZFI-MRXNPFEDSA-N 0 0 417.868 4.602 50 0 HJAARN CC[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(C)cc1 ZINC000014240549 558643516 /nfs/dbraw/zinc/64/35/16/558643516.db2.gz WZESFDKUGHQQNM-IBGZPJMESA-N 0 0 405.464 4.893 50 0 HJAARN Cc1ccc([C@@](O)(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C(F)(F)F)o1 ZINC000014241790 558644299 /nfs/dbraw/zinc/64/42/99/558644299.db2.gz HASAMKIVRDSMMV-HWPZZCPQSA-N 0 0 410.219 4.912 50 0 HJAARN Cc1ccc([C@@](O)(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C(F)(F)F)o1 ZINC000014241791 558644346 /nfs/dbraw/zinc/64/43/46/558644346.db2.gz HASAMKIVRDSMMV-QFYYESIMSA-N 0 0 410.219 4.912 50 0 HJAARN Cc1cc(C)n(CCC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)n1 ZINC000025597504 558645329 /nfs/dbraw/zinc/64/53/29/558645329.db2.gz NWPOMIPTJYGTPN-HXUWFJFHSA-N 0 0 420.944 4.973 50 0 HJAARN CC(=O)NCc1ccc(-c2csc(NC(=O)COc3ccccc3C(C)C)n2)cc1 ZINC000014244480 558645677 /nfs/dbraw/zinc/64/56/77/558645677.db2.gz NQQJSTXFNIYMJL-UHFFFAOYSA-N 0 0 423.538 4.587 50 0 HJAARN CC(=O)NCc1ccc(-c2csc(NC(=O)c3oc4ccccc4c3C)n2)cc1 ZINC000014246157 558647239 /nfs/dbraw/zinc/64/72/39/558647239.db2.gz QKAKTCHLYJRXKA-UHFFFAOYSA-N 0 0 405.479 4.753 50 0 HJAARN Cc1csc(N(C(=O)C2CCN(C(=O)c3cccs3)CC2)c2ccccc2)n1 ZINC000025724483 558648676 /nfs/dbraw/zinc/64/86/76/558648676.db2.gz BKJCGWZAXWIEBU-UHFFFAOYSA-N 0 0 411.552 4.730 50 0 HJAARN O=c1[nH]c(CN2CCC(Cc3ccccc3)CC2)nc2cc(C(F)(F)F)ccc21 ZINC000025747957 558648748 /nfs/dbraw/zinc/64/87/48/558648748.db2.gz QAICQTPOTPHIIE-UHFFFAOYSA-N 0 0 401.432 4.809 50 0 HJAARN COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cc(OC)ccc2OC)c1 ZINC000025782501 558649871 /nfs/dbraw/zinc/64/98/71/558649871.db2.gz YYLLTXNKPGOKJC-RCZVLFRGSA-N 0 0 416.477 4.955 50 0 HJAARN CC(C)NC(=O)CSc1ccccc1C(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000014255245 558651424 /nfs/dbraw/zinc/65/14/24/558651424.db2.gz DQYCVVDGALFGLW-UHFFFAOYSA-N 0 0 419.959 4.819 50 0 HJAARN CSc1ccc(CN(C)C(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)cc1 ZINC000014282683 558651722 /nfs/dbraw/zinc/65/17/22/558651722.db2.gz SGOZXFVOEGZHSR-UHFFFAOYSA-N 0 0 416.550 4.938 50 0 HJAARN Cc1sc2ncnc(Sc3nnc(N4CCC(C)CC4)n3C3CC3)c2c1C ZINC000014311127 558652279 /nfs/dbraw/zinc/65/22/79/558652279.db2.gz KSJKEVJYAAJBOK-UHFFFAOYSA-N 0 0 400.577 4.622 50 0 HJAARN CC(=O)N[C@@H](C)c1ccc(C(=O)CSc2nccn2-c2cccc(Cl)c2)cc1 ZINC000026048000 558654425 /nfs/dbraw/zinc/65/44/25/558654425.db2.gz YDXSTJCUTZZEGS-AWEZNQCLSA-N 0 0 413.930 4.698 50 0 HJAARN CC[C@@H](C)c1ccc([C@@H](NC(=O)CCc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1 ZINC000026390996 558660119 /nfs/dbraw/zinc/66/01/19/558660119.db2.gz CKHUIVLMMMWKLF-OSPHWJPCSA-N 0 0 405.542 4.883 50 0 HJAARN CN(C)C(=O)c1ccc(NC(=O)C2(c3ccc(Br)cc3)CCCC2)cc1 ZINC000026626437 558663838 /nfs/dbraw/zinc/66/38/38/558663838.db2.gz UJVNSBCALBAVGB-UHFFFAOYSA-N 0 0 415.331 4.601 50 0 HJAARN C/C(=C/c1ccccc1)[C@H]1Nc2sc3c(c2C(=O)N1)CCN(Cc1ccccc1)C3 ZINC000004544040 558664108 /nfs/dbraw/zinc/66/41/08/558664108.db2.gz ZBSFCAUVBMSGLK-VOJYKXCQSA-N 0 0 415.562 4.891 50 0 HJAARN COc1cc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)ccc1OCc1c(C)noc1C ZINC000026871939 558666064 /nfs/dbraw/zinc/66/60/64/558666064.db2.gz OPSPJKPDOULDEF-OAHLLOKOSA-N 0 0 412.461 4.851 50 0 HJAARN C[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O ZINC000026872497 558666120 /nfs/dbraw/zinc/66/61/20/558666120.db2.gz LJMPOBNTMKJVCX-OAHLLOKOSA-N 0 0 408.473 4.588 50 0 HJAARN CCCC(=O)Nc1ccc(OCC(=O)Nc2c(CC)cccc2CC)c(C(C)=O)c1 ZINC000014734922 558666302 /nfs/dbraw/zinc/66/63/02/558666302.db2.gz XERFLKQVRGYJFN-UHFFFAOYSA-N 0 0 410.514 4.770 50 0 HJAARN Cc1cc(Br)c(NC(=O)Cn2cnc3ccccc32)c(Br)c1 ZINC000014737578 558666306 /nfs/dbraw/zinc/66/63/06/558666306.db2.gz INQRRLQSOICCOX-UHFFFAOYSA-N 0 0 423.108 4.508 50 0 HJAARN O=S(=O)(NCCSCc1ccc(Cl)cc1)c1cc(Cl)ccc1Cl ZINC000004545814 558668466 /nfs/dbraw/zinc/66/84/66/558668466.db2.gz KCDVQIOFYFNEPY-UHFFFAOYSA-N 0 0 410.775 4.859 50 0 HJAARN CCOC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc(C)c(C)c3)on1)CCC2 ZINC000027582617 558675907 /nfs/dbraw/zinc/67/59/07/558675907.db2.gz SLHZWSHMBAXESS-UHFFFAOYSA-N 0 0 410.495 4.938 50 0 HJAARN CSc1ccc(C(=O)NC[C@@H]2Cc3cc(Cl)cc(-c4ccncc4)c3O2)cc1 ZINC000014885314 558677408 /nfs/dbraw/zinc/67/74/08/558677408.db2.gz NCVZPEQSQDGLCB-SFHVURJKSA-N 0 0 410.926 4.857 50 0 HJAARN Cc1ccc(Oc2ccccc2NC(=O)Cc2csc(N3CCCC3=O)n2)cc1 ZINC000014893407 558678000 /nfs/dbraw/zinc/67/80/00/558678000.db2.gz ODSAPQPIXAAPCA-UHFFFAOYSA-N 0 0 407.495 4.552 50 0 HJAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1nonc1-c1cccs1 ZINC000027663396 558678842 /nfs/dbraw/zinc/67/88/42/558678842.db2.gz NZNDOFQMMYBJHR-UHFFFAOYSA-N 0 0 404.245 4.868 50 0 HJAARN O=C(Nc1ccc(C(=O)OCc2nc3ccccc3n2C(F)F)cc1)c1ccco1 ZINC000014902935 558678868 /nfs/dbraw/zinc/67/88/68/558678868.db2.gz SCLSQVXWIFZMGZ-UHFFFAOYSA-N 0 0 411.364 4.634 50 0 HJAARN COc1ccc(-c2nn(-c3ccccc3)cc2CN(C)[C@H](C)c2ccncn2)c(F)c1 ZINC000014949947 558680720 /nfs/dbraw/zinc/68/07/20/558680720.db2.gz BARVMRFHECJHLF-QGZVFWFLSA-N 0 0 417.488 4.670 50 0 HJAARN Cc1noc(C)c1CCC(=O)N1CCC[C@@H](C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000014954605 558682009 /nfs/dbraw/zinc/68/20/09/558682009.db2.gz JWBRMYXQCDEAJP-HXUWFJFHSA-N 0 0 416.521 4.597 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)c2ccoc2C)C1 ZINC000014956092 558682441 /nfs/dbraw/zinc/68/24/41/558682441.db2.gz YUVFQPPZCXWJEG-HNNXBMFYSA-N 0 0 404.894 4.521 50 0 HJAARN O=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)N1CCCCCCC1 ZINC000014968264 558686546 /nfs/dbraw/zinc/68/65/46/558686546.db2.gz OOWOXRZLIXRKGS-UHFFFAOYSA-N 0 0 401.938 4.918 50 0 HJAARN CC(=O)c1c(C)cc(C)c(CN2C(=O)N[C@](C)(c3cccc4ccccc43)C2=O)c1C ZINC000028186411 558691540 /nfs/dbraw/zinc/69/15/40/558691540.db2.gz DTSXHHOXEALWJK-AREMUKBSSA-N 0 0 414.505 4.935 50 0 HJAARN Cc1cccc(OCC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1C ZINC000028288039 558695107 /nfs/dbraw/zinc/69/51/07/558695107.db2.gz MTOHRQFUBHLEEM-UHFFFAOYSA-N 0 0 400.931 4.818 50 0 HJAARN COc1ccccc1O[C@@H](C)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000028288554 558695593 /nfs/dbraw/zinc/69/55/93/558695593.db2.gz SLSNICGOSHEXRZ-AWEZNQCLSA-N 0 0 416.930 4.598 50 0 HJAARN Cc1cc(C)c2c(=O)cc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)oc2c1 ZINC000028290129 558696429 /nfs/dbraw/zinc/69/64/29/558696429.db2.gz CIPULZXAAOAAFA-IBGZPJMESA-N 0 0 424.928 4.630 50 0 HJAARN CC(C)c1ccc([C@H](CNC(=O)/C=C/c2ccc(Cl)cc2)N2CCOCC2)cc1 ZINC000028291001 558697149 /nfs/dbraw/zinc/69/71/49/558697149.db2.gz XHCSZVXDAPNWSG-LHRVCSDGSA-N 0 0 412.961 4.666 50 0 HJAARN O=C(Nc1ccccc1)c1nc(SCc2ccccc2F)ncc1Br ZINC000028293337 558698266 /nfs/dbraw/zinc/69/82/66/558698266.db2.gz VFZHVDIWPRNCNE-UHFFFAOYSA-N 0 0 418.291 4.923 50 0 HJAARN CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)[C@H]2C[C@@H]4C=C[C@H]2C4)C3)c1 ZINC000015003454 558698543 /nfs/dbraw/zinc/69/85/43/558698543.db2.gz DJFXZRRXARAFKU-LGYWMIHWSA-N 0 0 419.496 4.636 50 0 HJAARN CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)CNc3ccc(C(C)C)cc3)cc21 ZINC000028296707 558699102 /nfs/dbraw/zinc/69/91/02/558699102.db2.gz OXLFKBVYOUCJMZ-FQEVSTJZSA-N 0 0 424.541 4.639 50 0 HJAARN Cc1cc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)ccc1Br ZINC000015008707 558699713 /nfs/dbraw/zinc/69/97/13/558699713.db2.gz PYEFZCZWJDJHCQ-UHFFFAOYSA-N 0 0 416.319 4.640 50 0 HJAARN Cc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1cccnc1 ZINC000015010422 558699940 /nfs/dbraw/zinc/69/99/40/558699940.db2.gz KYUOQWOMFHPUME-JAIQZWGSSA-N 0 0 407.470 4.865 50 0 HJAARN C[C@@H]1C[C@H](OC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)C(=O)O1 ZINC000072274737 558700480 /nfs/dbraw/zinc/70/04/80/558700480.db2.gz NRAUGSZLFSDERV-XIKOKIGWSA-N 0 0 400.427 4.725 50 0 HJAARN CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1cc2ccccc2o1 ZINC000015019311 558703201 /nfs/dbraw/zinc/70/32/01/558703201.db2.gz GOGZLMVYTQVVFC-UHFFFAOYSA-N 0 0 422.510 4.759 50 0 HJAARN Cc1cccc2c1N[C@@H](c1cc(Br)ccc1OCc1ccccn1)NC2=O ZINC000028923555 558707177 /nfs/dbraw/zinc/70/71/77/558707177.db2.gz IKLJWDKYSGMYBC-HXUWFJFHSA-N 0 0 424.298 4.586 50 0 HJAARN O=C(c1ccc2nc(Cc3ccccc3F)oc2c1)N(CC1CCC1)C[C@H]1CCCO1 ZINC000015065407 558708357 /nfs/dbraw/zinc/70/83/57/558708357.db2.gz RYZHVUZGDZVDAS-HXUWFJFHSA-N 0 0 422.500 4.979 50 0 HJAARN COc1ccc(OCC(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 ZINC000029013090 558708517 /nfs/dbraw/zinc/70/85/17/558708517.db2.gz CRVKWCXGCAWITJ-UHFFFAOYSA-N 0 0 408.401 4.855 50 0 HJAARN Cc1cc(C)c(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccccc3C)C2=O)cc1C ZINC000004555139 558709691 /nfs/dbraw/zinc/70/96/91/558709691.db2.gz YLHZUMNJDBYLSB-HHHXNRCGSA-N 0 0 413.517 4.928 50 0 HJAARN Cc1cc(=O)c(C(=O)Nc2ccccc2SC(F)F)nn1-c1ccccc1Cl ZINC000029472079 558715761 /nfs/dbraw/zinc/71/57/61/558715761.db2.gz SSUDULCVZCBPOH-UHFFFAOYSA-N 0 0 421.856 4.761 50 0 HJAARN O=C(c1ccc2nc(C3CCCCC3)oc2c1)N1CCCC[C@H]1CCN1CCCC1=O ZINC000015079279 558718102 /nfs/dbraw/zinc/71/81/02/558718102.db2.gz ZALBNDUIPDOSLB-FQEVSTJZSA-N 0 0 423.557 4.883 50 0 HJAARN CC(=O)N1CCc2cc(NC(=O)c3ccccc3C(=O)c3ccc(C)c(C)c3)ccc21 ZINC000029691730 558718919 /nfs/dbraw/zinc/71/89/19/558718919.db2.gz VWRCAFPPQZVVIM-UHFFFAOYSA-N 0 0 412.489 4.696 50 0 HJAARN Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccnn1Cc1cccc(Cl)c1 ZINC000029766612 558720592 /nfs/dbraw/zinc/72/05/92/558720592.db2.gz QCCZZHVABGJVCK-UHFFFAOYSA-N 0 0 404.901 4.931 50 0 HJAARN Cc1csc(SCc2ccc(C(=O)N3CCN(C)C[C@@H]3c3ccccc3)cc2)n1 ZINC000030030460 558726671 /nfs/dbraw/zinc/72/66/71/558726671.db2.gz JWFPLTBPJUHTQQ-OAQYLSRUSA-N 0 0 423.607 4.873 50 0 HJAARN O=C(Nc1ccccc1)C1CCN(C(=O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000015182306 558727130 /nfs/dbraw/zinc/72/71/30/558727130.db2.gz WIUYTUISYQEKQZ-UHFFFAOYSA-N 0 0 414.505 4.757 50 0 HJAARN C[C@@H](c1cc(F)ccc1F)N(C)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000059387774 558727187 /nfs/dbraw/zinc/72/71/87/558727187.db2.gz ZUGPEHCIBMPAQE-JTQLQIEISA-N 0 0 404.791 4.851 50 0 HJAARN Cc1ccc(S(=O)(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)c(Br)c1 ZINC000030368514 558729259 /nfs/dbraw/zinc/72/92/59/558729259.db2.gz XBZYMWQJWXDDEK-BBRMVZONSA-N 0 0 424.360 4.827 50 0 HJAARN CC(C)n1nccc1NC(=O)CSc1ncnc2sc(-c3ccccc3)cc21 ZINC000015277114 558730114 /nfs/dbraw/zinc/73/01/14/558730114.db2.gz HSRDBZFSLGFSQS-UHFFFAOYSA-N 0 0 409.540 4.867 50 0 HJAARN CCN(C(=O)c1cn(CC(C)C)c(=O)c2cc(OC)c(OC)cc12)c1cccc(C)c1 ZINC000004563396 558733021 /nfs/dbraw/zinc/73/30/21/558733021.db2.gz GYFOWOJMPSGZLV-UHFFFAOYSA-N 0 0 422.525 4.650 50 0 HJAARN C[C@H](CCc1ccccc1)NC(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000004563816 558733417 /nfs/dbraw/zinc/73/34/17/558733417.db2.gz XVKWHJNUWTUIRS-JSRBVGTNSA-N 0 0 424.544 4.661 50 0 HJAARN COc1cc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)ccc1OCc1cscn1 ZINC000030617675 558734488 /nfs/dbraw/zinc/73/44/88/558734488.db2.gz CPKCTGVGYVFWQQ-GFCCVEGCSA-N 0 0 415.540 4.564 50 0 HJAARN CCOc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@@H]2c2ccccc2)cc1 ZINC000015412519 558738325 /nfs/dbraw/zinc/73/83/25/558738325.db2.gz UIWFVGCOJVYDDH-VWLOTQADSA-N 0 0 414.505 4.823 50 0 HJAARN Cc1ccc(-c2nc(CCNC(=O)c3cccc(Br)c3)cs2)cc1 ZINC000004570746 558743090 /nfs/dbraw/zinc/74/30/90/558743090.db2.gz AXXWTZDEZSRNGN-UHFFFAOYSA-N 0 0 401.329 4.854 50 0 HJAARN CCCc1cc(=O)[nH]c(S[C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)n1 ZINC000015587331 558745158 /nfs/dbraw/zinc/74/51/58/558745158.db2.gz LPTOPWFVIQJPPE-OAQYLSRUSA-N 0 0 423.538 4.512 50 0 HJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@@H]1Cc3ccccc31)CC2 ZINC000072296557 558749544 /nfs/dbraw/zinc/74/95/44/558749544.db2.gz ZJKYVDDBQCZGTP-AUSIDOKSSA-N 0 0 405.519 4.579 50 0 HJAARN COc1cc(NC(=O)c2cc(-c3cccnc3)nc3ccccc32)cc(OC)c1OC ZINC000015782955 558753588 /nfs/dbraw/zinc/75/35/88/558753588.db2.gz HGIZKXBZMNIRLS-UHFFFAOYSA-N 0 0 415.449 4.575 50 0 HJAARN CC(=O)c1cccc(-n2c3c(c(SCc4ccc(Cl)cc4)nc2=O)CCC3)c1 ZINC000015840529 558756732 /nfs/dbraw/zinc/75/67/32/558756732.db2.gz HBKLVBKVKRLJHG-UHFFFAOYSA-N 0 0 410.926 4.870 50 0 HJAARN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CSCC(=O)Nc2cccc(C)c2)o1 ZINC000072304728 558757315 /nfs/dbraw/zinc/75/73/15/558757315.db2.gz OKQZBNUPNLEPFC-LPHOPBHVSA-N 0 0 400.544 4.568 50 0 HJAARN Cc1cccc(OCc2nc3ccccc3n2C[C@H](O)COc2cccc(C)c2C)c1 ZINC000015860771 558758670 /nfs/dbraw/zinc/75/86/70/558758670.db2.gz VWSPGULONQHNJB-NRFANRHFSA-N 0 0 416.521 4.980 50 0 HJAARN Cc1ccc(OCc2nc3ccccc3n2C[C@H](O)COc2cccc(C)c2C)cc1 ZINC000015860765 558758674 /nfs/dbraw/zinc/75/86/74/558758674.db2.gz FAARKZJMZPEAIJ-NRFANRHFSA-N 0 0 416.521 4.980 50 0 HJAARN CCC(=O)N1c2ccc(Cl)cc2-c2nnc(SC)nc2O[C@@H]1c1ccc(C)o1 ZINC000032998109 558759011 /nfs/dbraw/zinc/75/90/11/558759011.db2.gz NZPZEOSVAOXKLY-GOSISDBHSA-N 0 0 416.890 4.650 50 0 HJAARN CCSc1nnc2c(n1)O[C@H](c1cccc(F)c1)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997692 558759032 /nfs/dbraw/zinc/75/90/32/558759032.db2.gz MWPOGTSKNQPZSH-OAQYLSRUSA-N 0 0 424.501 4.851 50 0 HJAARN CSc1nnc2c(n1)O[C@H](c1ccc(C)cc1)N(C(C)=O)c1ccc(Cl)cc1-2 ZINC000032998222 558759227 /nfs/dbraw/zinc/75/92/27/558759227.db2.gz FYJTUCBVKKQMLL-LJQANCHMSA-N 0 0 412.902 4.666 50 0 HJAARN CSc1nnc2c(n1)O[C@H](c1ccccc1C)N(C(C)=O)c1ccc(Cl)cc1-2 ZINC000032998218 558759256 /nfs/dbraw/zinc/75/92/56/558759256.db2.gz LBPUDDVDHBEGLX-LJQANCHMSA-N 0 0 412.902 4.666 50 0 HJAARN C=Cc1ccc(CN2c3ccccc3S(=O)(=O)N(c3ccccc3C)C2=O)cc1 ZINC000015868372 558759553 /nfs/dbraw/zinc/75/95/53/558759553.db2.gz WKMTVTUNQFOIAW-UHFFFAOYSA-N 0 0 404.491 4.974 50 0 HJAARN O=C(Cc1ccc(Cl)cc1)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000033048654 558760400 /nfs/dbraw/zinc/76/04/00/558760400.db2.gz GRHKWEGZCSHICD-OAQYLSRUSA-N 0 0 421.859 4.977 50 0 HJAARN Fc1ccc(-c2cc3c(N4CCN(c5cccc(Cl)c5)CC4)nccn3n2)cc1 ZINC000033266299 558763223 /nfs/dbraw/zinc/76/32/23/558763223.db2.gz PTVOUTZAPPLUDG-UHFFFAOYSA-N 0 0 407.880 4.515 50 0 HJAARN FC(F)(F)c1ccc(Cl)c(N2C(=S)N=NC2c2cc(-c3ccco3)n[nH]2)c1 ZINC000015985554 558765363 /nfs/dbraw/zinc/76/53/63/558765363.db2.gz AZNPSPJCZLPRCJ-UHFFFAOYSA-N 0 0 411.796 4.878 50 0 HJAARN CCO[C@H](CCNC(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F)C(C)C ZINC000072307163 558766650 /nfs/dbraw/zinc/76/66/50/558766650.db2.gz ZDXLKTBQJKUNSF-MRXNPFEDSA-N 0 0 417.859 4.726 50 0 HJAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000016104148 558771931 /nfs/dbraw/zinc/77/19/31/558771931.db2.gz VJEGUBLGWJITCS-UHFFFAOYSA-N 0 0 409.751 4.547 50 0 HJAARN O=C(NC(=S)Nc1ccc(Br)cc1C(F)(F)F)c1ccccc1 ZINC000016125818 558772895 /nfs/dbraw/zinc/77/28/95/558772895.db2.gz GNFOLKYHKRLYED-UHFFFAOYSA-N 0 0 403.223 4.595 50 0 HJAARN Cc1ccccc1NC(=O)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CCCC2=O ZINC000001108611 558774968 /nfs/dbraw/zinc/77/49/68/558774968.db2.gz BVVFGTCKPIRTLI-UHFFFAOYSA-N 0 0 406.869 4.571 50 0 HJAARN Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)N(C)Cc1c(F)cccc1Cl ZINC000022077955 558778930 /nfs/dbraw/zinc/77/89/30/558778930.db2.gz UDTAWBJFRXJLOD-QFIPXVFZSA-N 0 0 421.907 4.985 50 0 HJAARN CSc1ccccc1-c1nnc(NC(=O)COc2ccc(Cl)cc2Cl)o1 ZINC000004585566 558780521 /nfs/dbraw/zinc/78/05/21/558780521.db2.gz VIXXVPVVZFGPNK-UHFFFAOYSA-N 0 0 410.282 4.783 50 0 HJAARN C[C@@H]1CCC[C@H](NC(=O)CSCc2cnn(-c3ccccc3)c2-n2cccc2)[C@@H]1C ZINC000004586004 558781311 /nfs/dbraw/zinc/78/13/11/558781311.db2.gz BKTOHJLNDSKXJS-KNKQGSTJSA-N 0 0 422.598 4.837 50 0 HJAARN COc1cccc(COc2ccc(-c3nc(C(=O)NCC4CC4)cs3)c(F)c2)c1 ZINC000034723054 558783541 /nfs/dbraw/zinc/78/35/41/558783541.db2.gz GGKQIVRPKQQYEL-UHFFFAOYSA-N 0 0 412.486 4.677 50 0 HJAARN COc1ccc(CN2C(=O)c3ccccc3C(=CN[C@@H]3CCC[C@H](C)[C@H]3C)C2=O)cc1 ZINC000034858977 558785448 /nfs/dbraw/zinc/78/54/48/558785448.db2.gz OBOIWTUNSQCWPD-WVZBNQFOSA-N 0 0 418.537 4.633 50 0 HJAARN COc1cc2c(cc1OC)CN([C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)CC2 ZINC000034863350 558785711 /nfs/dbraw/zinc/78/57/11/558785711.db2.gz DFZBTMNYFZPVEW-XMMPIXPASA-N 0 0 420.484 4.581 50 0 HJAARN CC(=O)Nc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1 ZINC000034875887 558786384 /nfs/dbraw/zinc/78/63/84/558786384.db2.gz KCRBNBXSVZYWPF-IUXPMGMMSA-N 0 0 404.850 4.674 50 0 HJAARN CCCCn1c2ccccc2nc1N1CCC[C@H](C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000034910015 558787572 /nfs/dbraw/zinc/78/75/72/558787572.db2.gz KUQGWQNCPOLKOB-FPOVZHCZSA-N 0 0 404.558 4.930 50 0 HJAARN Cc1cccc(-c2nc(CC(=O)N[C@H](C)[C@@H](O)c3c(F)cccc3Cl)cs2)c1 ZINC000072311627 558788485 /nfs/dbraw/zinc/78/84/85/558788485.db2.gz XTBCRMXRNJWDGK-ZUOKHONESA-N 0 0 418.921 4.692 50 0 HJAARN O=C1OC(c2ccccc2Br)=N/C1=C\c1cccc(Br)c1 ZINC000004589090 558788828 /nfs/dbraw/zinc/78/88/28/558788828.db2.gz RCYPJFHWFIXEPZ-ZROIWOOFSA-N 0 0 407.061 4.556 50 0 HJAARN Cc1ccc(N2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NC2CCCC2)c(C)c1 ZINC000035482087 558792691 /nfs/dbraw/zinc/79/26/91/558792691.db2.gz GOSHOSXNRYEQER-DEOSSOPVSA-N 0 0 421.566 4.798 50 0 HJAARN COc1cc(-c2nc3cc(C)ccn3c2Nc2ccc3c(c2)OCO3)cc(OC)c1O ZINC000035615863 558794366 /nfs/dbraw/zinc/79/43/66/558794366.db2.gz WWNJTVAHRFPBOK-UHFFFAOYSA-N 0 0 419.437 4.505 50 0 HJAARN COc1cccc(Nc2c(-c3cc(Br)ccc3O)nc3cnccn32)c1 ZINC000035616150 558794480 /nfs/dbraw/zinc/79/44/80/558794480.db2.gz FANGBILESOSMBR-UHFFFAOYSA-N 0 0 411.259 4.617 50 0 HJAARN Fc1ccccc1-c1c(-c2nnnn2-c2ccccc2)cnn1-c1cccc(Cl)c1 ZINC000016523960 558795047 /nfs/dbraw/zinc/79/50/47/558795047.db2.gz SHIBFLNKSJQUBG-UHFFFAOYSA-N 0 0 416.847 4.975 50 0 HJAARN COc1ccccc1[C@@H](C)N(c1cccc(F)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000036247033 558798410 /nfs/dbraw/zinc/79/84/10/558798410.db2.gz RWDZIQDUSDRDNI-OAHLLOKOSA-N 0 0 403.450 4.930 50 0 HJAARN CCCCC1CCC(C(=O)N(Cc2ccc(C)cc2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000016741449 558803518 /nfs/dbraw/zinc/80/35/18/558803518.db2.gz HLGNTJGJKCQXPG-VTLFHKLASA-N 0 0 405.604 4.507 50 0 HJAARN COc1ccc(-c2nc(P(=O)(OC)OC)c(NCc3ccccc3Cl)o2)cc1 ZINC000016751526 558804859 /nfs/dbraw/zinc/80/48/59/558804859.db2.gz CHYCZLZHCWNDKW-UHFFFAOYSA-N 0 0 422.805 4.727 50 0 HJAARN C[C@H](Cc1ccco1)NC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1cccc(Cl)c1)O2 ZINC000032983990 558805102 /nfs/dbraw/zinc/80/51/02/558805102.db2.gz DLSMILBMGICWTQ-LQFJMUIISA-N 0 0 422.868 4.666 50 0 HJAARN CCOC(=O)c1ccc2nc(-c3ccccc3)cc(OCC(=O)NC3CCCC3)c2c1 ZINC000032985741 558805926 /nfs/dbraw/zinc/80/59/26/558805926.db2.gz HMKCTSCJINQFJS-UHFFFAOYSA-N 0 0 418.493 4.516 50 0 HJAARN Cc1ccc(CN2[C@H](c3ccc(F)c(F)c3)Nc3ccccc3S2(=O)=O)cc1 ZINC000032986792 558806771 /nfs/dbraw/zinc/80/67/71/558806771.db2.gz COHYPXYKGYMIMM-OAQYLSRUSA-N 0 0 400.450 4.588 50 0 HJAARN COP(=O)(OC)c1nc(Cc2cccc3ccccc32)oc1NCc1cccnc1 ZINC000016806409 558807507 /nfs/dbraw/zinc/80/75/07/558807507.db2.gz LSJDFGRPLYMMIV-UHFFFAOYSA-N 0 0 423.409 4.537 50 0 HJAARN COc1ccccc1-c1cc2c(SCC(=O)Nc3cccc(Cl)c3)nccn2n1 ZINC000016842049 558808325 /nfs/dbraw/zinc/80/83/25/558808325.db2.gz JHSJCEGTWOYAMS-UHFFFAOYSA-N 0 0 424.913 4.789 50 0 HJAARN Cc1ccc(C)c(NC(=O)Cn2cnc3c(-c4ccc(F)cc4)csc3c2=O)c1 ZINC000038486538 558811437 /nfs/dbraw/zinc/81/14/37/558811437.db2.gz ZSDRNTINZWEGDI-UHFFFAOYSA-N 0 0 407.470 4.520 50 0 HJAARN Cc1cc2c([nH]c(=S)n(-c3cc(C)n(Cc4ccc(Cl)cc4)n3)c2=O)s1 ZINC000017082591 558814838 /nfs/dbraw/zinc/81/48/38/558814838.db2.gz BKVKVDOGZNSCFY-UHFFFAOYSA-N 0 0 402.932 4.625 50 0 HJAARN CCOc1ccc(CC2N=NC(=S)N2Cc2ccc(Cl)cc2)cc1OCC ZINC000017082776 558814915 /nfs/dbraw/zinc/81/49/15/558814915.db2.gz HEBPFUIWNIIELH-UHFFFAOYSA-N 0 0 403.935 4.657 50 0 HJAARN Cc1nnc(SCc2csc(-c3ccc4c(c3)OCO4)n2)n1-c1ccccc1 ZINC000017088004 558816776 /nfs/dbraw/zinc/81/67/76/558816776.db2.gz BGIGXIQEZDQWCE-UHFFFAOYSA-N 0 0 408.508 4.720 50 0 HJAARN COC(=O)c1c2c(sc1NC(=S)Nc1ccc(Cc3ccncc3)cc1)CCC2 ZINC000017093667 558822082 /nfs/dbraw/zinc/82/20/82/558822082.db2.gz FUIHDMPMBIBCHJ-UHFFFAOYSA-N 0 0 423.563 4.818 50 0 HJAARN Fc1ccc(CSCC2N=NC(=S)N2c2ccc3c(c2)OCCO3)c(Cl)c1 ZINC000017093727 558822131 /nfs/dbraw/zinc/82/21/31/558822131.db2.gz DHGKEPBYPZTCGM-UHFFFAOYSA-N 0 0 423.922 4.553 50 0 HJAARN COc1ccc(-c2noc(CCCC(=O)Nc3nc(-c4ccccc4)cs3)n2)cc1 ZINC000033000087 558826628 /nfs/dbraw/zinc/82/66/28/558826628.db2.gz VRHDSKFSLKAUCK-UHFFFAOYSA-N 0 0 420.494 4.830 50 0 HJAARN COc1ccc(-c2noc(CCCC(=O)Nc3cc(Cl)ccc3C)n2)cc1OC ZINC000033000159 558826652 /nfs/dbraw/zinc/82/66/52/558826652.db2.gz MDAQSGZUPZNYTG-UHFFFAOYSA-N 0 0 415.877 4.677 50 0 HJAARN Cc1ccccc1-c1noc(-c2cccnc2N2CCN(c3ccccc3F)CC2)n1 ZINC000033004310 558827044 /nfs/dbraw/zinc/82/70/44/558827044.db2.gz NGRQNUINFZDTSN-UHFFFAOYSA-N 0 0 415.472 4.573 50 0 HJAARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(OCC(=O)c4ccc(Cl)cc4)cc3)C(=O)[C@@H]2C1 ZINC000017987279 558829081 /nfs/dbraw/zinc/82/90/81/558829081.db2.gz LEZYHQGRQYEYKG-JSNMRZPZSA-N 0 0 411.885 4.527 50 0 HJAARN CC(C)Cc1nnc(C(=O)Nc2ccc(C(=O)NCCC3=CCCCC3)cc2)s1 ZINC000033011290 558831320 /nfs/dbraw/zinc/83/13/20/558831320.db2.gz SJAJSINOQJASRO-UHFFFAOYSA-N 0 0 412.559 4.609 50 0 HJAARN COc1ccc(-c2noc(-c3cccc(OCC(=O)Nc4ccccc4C)c3)n2)cc1 ZINC000033012386 558832160 /nfs/dbraw/zinc/83/21/60/558832160.db2.gz HGTLLWAPRHJSEV-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN CC(C)c1noc(-c2cccc(OCC(=O)Nc3ccccc3C(F)(F)F)c2)n1 ZINC000033012538 558832328 /nfs/dbraw/zinc/83/23/28/558832328.db2.gz YHXCHSQIMUTKSW-UHFFFAOYSA-N 0 0 405.376 4.896 50 0 HJAARN CCOc1ccc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 ZINC000033012573 558832410 /nfs/dbraw/zinc/83/24/10/558832410.db2.gz UQHBGLCIZRLFHN-UHFFFAOYSA-N 0 0 415.449 4.820 50 0 HJAARN Cc1ccc(NC(=O)Cc2c(C)nc3nc(-c4ccccc4Cl)nn3c2C)c(C)c1 ZINC000046023831 558839187 /nfs/dbraw/zinc/83/91/87/558839187.db2.gz DZZCMJJVLUFWJW-UHFFFAOYSA-N 0 0 419.916 4.860 50 0 HJAARN Cc1sc(-c2nc(-c3ccc(F)cc3)no2)cc1S(=O)(=O)NC1CCCCC1 ZINC000046141369 558840033 /nfs/dbraw/zinc/84/00/33/558840033.db2.gz PCGPJJWXBLZLPF-UHFFFAOYSA-N 0 0 421.519 4.524 50 0 HJAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3F)o2)cc1 ZINC000048513650 558845682 /nfs/dbraw/zinc/84/56/82/558845682.db2.gz UAHKUVHGWKOYBY-UHFFFAOYSA-N 0 0 422.279 4.677 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)NCCCn1c2ncccc2nc1C(F)(F)F ZINC000033025595 558846215 /nfs/dbraw/zinc/84/62/15/558846215.db2.gz GXZUVUHCCMQVMU-UHFFFAOYSA-N 0 0 411.815 4.624 50 0 HJAARN O=c1c(Cl)c(NCc2ccc(F)cc2C(F)(F)F)cnn1Cc1ccccc1 ZINC000071954292 558847010 /nfs/dbraw/zinc/84/70/10/558847010.db2.gz OJEGOFBAKHLHQG-UHFFFAOYSA-N 0 0 411.786 4.715 50 0 HJAARN Cc1ccc(-c2ncc(C(=O)Nc3ccn(CCc4ccncc4)n3)s2)c(C)c1 ZINC000060335079 558850687 /nfs/dbraw/zinc/85/06/87/558850687.db2.gz YRJPXJMZFXICDW-UHFFFAOYSA-N 0 0 403.511 4.513 50 0 HJAARN O=C(NCc1ccco1)c1cccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)c1 ZINC000033027793 558851286 /nfs/dbraw/zinc/85/12/86/558851286.db2.gz SNVODOYXSMIJJQ-UHFFFAOYSA-N 0 0 423.900 4.695 50 0 HJAARN CCOc1ccc(NC(=O)C2CCN(c3ncccc3-n3c(C)ccc3C)CC2)cc1 ZINC000033034480 558858450 /nfs/dbraw/zinc/85/84/50/558858450.db2.gz VAOYSWPFUXEDOE-UHFFFAOYSA-N 0 0 418.541 4.743 50 0 HJAARN CCn1nc(Br)nc1Sc1ccccc1NC(=O)c1sccc1C ZINC000033036401 558859695 /nfs/dbraw/zinc/85/96/95/558859695.db2.gz HSQGJIZSBWAJLK-UHFFFAOYSA-N 0 0 423.361 4.834 50 0 HJAARN COc1ccc(C(=O)OCc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)c(OC)c1 ZINC000011134374 558859877 /nfs/dbraw/zinc/85/98/77/558859877.db2.gz MAXPAKHFMRVJNV-XMMPIXPASA-N 0 0 424.424 4.808 50 0 HJAARN CC(C)C(=O)Nc1ccccc1Sc1nc(Cl)nn1Cc1ccc(F)cc1 ZINC000033036116 558860168 /nfs/dbraw/zinc/86/01/68/558860168.db2.gz SYLNMJIHFVBOOJ-UHFFFAOYSA-N 0 0 404.898 4.865 50 0 HJAARN Cc1oc2c(ccc3c2CN(c2ccc(CCO)cc2)CO3)c(=O)c1-c1ccccc1 ZINC000013725880 558860501 /nfs/dbraw/zinc/86/05/01/558860501.db2.gz LRMOKNQLTVKPQW-UHFFFAOYSA-N 0 0 413.473 4.660 50 0 biogenic HJAARN CC(=O)Nc1c(-c2ccc(Cl)cc2)c(C)nn1-c1ccc(C(=O)NC(C)C)cc1 ZINC000033037261 558861580 /nfs/dbraw/zinc/86/15/80/558861580.db2.gz RDFZDJUZDAESQU-UHFFFAOYSA-N 0 0 410.905 4.598 50 0 HJAARN COCCn1ccc2c1cccc2NC(=O)c1cn(CC(C)C)c(=O)c2ccccc12 ZINC000072324843 558861825 /nfs/dbraw/zinc/86/18/25/558861825.db2.gz PJOZUEDTRSGTOH-UHFFFAOYSA-N 0 0 417.509 4.511 50 0 biogenic HJAARN CCN(Cc1ccccc1)c1c(C(=O)N2CCSCC2)cnc2ccc(F)cc21 ZINC000072328406 558863763 /nfs/dbraw/zinc/86/37/63/558863763.db2.gz OJJJNJVFCAEMKP-UHFFFAOYSA-N 0 0 409.530 4.589 50 0 HJAARN CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1N1CCN(c2ccccc2)CC1 ZINC000072328433 558863850 /nfs/dbraw/zinc/86/38/50/558863850.db2.gz LXBWPGCDYZDYHS-UHFFFAOYSA-N 0 0 422.960 4.697 50 0 HJAARN O=C(NCc1ccc(F)cc1Cl)c1c[nH]nc1-c1cccc(Br)c1 ZINC000072329063 558864436 /nfs/dbraw/zinc/86/44/36/558864436.db2.gz YFVMHNWBFCTGLC-UHFFFAOYSA-N 0 0 408.658 4.562 50 0 HJAARN Cc1c(C(=O)NCc2cccs2)sc2ncnc(N(C)C3CCCCC3)c12 ZINC000033078880 558868366 /nfs/dbraw/zinc/86/83/66/558868366.db2.gz XDVOJIAEDGKUEQ-UHFFFAOYSA-N 0 0 400.573 4.760 50 0 HJAARN COc1nc2ccccc2nc1N1CCC(C(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000033088260 558870004 /nfs/dbraw/zinc/87/00/04/558870004.db2.gz OINQZPUAXCTIKD-UHFFFAOYSA-N 0 0 404.514 4.617 50 0 HJAARN CCCCNC(=O)c1cc(-c2ccccc2OC)nc2n[nH]c(-c3ccc(F)cc3)c21 ZINC000033085678 558870434 /nfs/dbraw/zinc/87/04/34/558870434.db2.gz UPQSNJHNJJJWTE-UHFFFAOYSA-N 0 0 418.472 4.970 50 0 HJAARN Cn1c2ccccc2nc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1=O ZINC000033085851 558870497 /nfs/dbraw/zinc/87/04/97/558870497.db2.gz YDQIDWRCVAPQQR-UHFFFAOYSA-N 0 0 405.841 4.632 50 0 HJAARN FC(F)(F)c1ccccc1NC(=S)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000055053877 558870834 /nfs/dbraw/zinc/87/08/34/558870834.db2.gz IJHFEHRGCOTOTJ-RMKNXTFCSA-N 0 0 405.489 4.733 50 0 HJAARN CCc1cccc(C)c1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C ZINC000033088694 558871803 /nfs/dbraw/zinc/87/18/03/558871803.db2.gz UMLREWCDPGGBQY-UHFFFAOYSA-N 0 0 406.507 4.615 50 0 HJAARN Cc1cccc(C)c1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@H]2C ZINC000033089190 558871986 /nfs/dbraw/zinc/87/19/86/558871986.db2.gz IWQBTQLIVMAINS-CYBMUJFWSA-N 0 0 411.299 4.750 50 0 HJAARN CCOc1cc2[n-]c(=S)n(CCC[N@@H+]3CCCC[C@H]3CC)c(=O)c2cc1OCC ZINC000004657953 558872104 /nfs/dbraw/zinc/87/21/04/558872104.db2.gz AWACEEJCBSRXQO-MRXNPFEDSA-N 0 0 419.591 4.511 50 0 HJAARN C[C@@H](C(=O)NCc1ccccc1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000033113921 558875646 /nfs/dbraw/zinc/87/56/46/558875646.db2.gz RZIALFICXMJPAV-MRXNPFEDSA-N 0 0 423.944 4.626 50 0 HJAARN C[C@@H](NC(=O)CC1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1)c1ccccc1 ZINC000033113911 558875650 /nfs/dbraw/zinc/87/56/50/558875650.db2.gz QAXVVYFDIXEMCF-MRXNPFEDSA-N 0 0 423.944 4.941 50 0 HJAARN CCc1ccc(-c2nc(C[S@@](=O)CC(=O)NC3CCCCCCC3)c(C)o2)cc1 ZINC000004668474 558876650 /nfs/dbraw/zinc/87/66/50/558876650.db2.gz WTLCJVBNMGSZMV-LJAQVGFWSA-N 0 0 416.587 4.690 50 0 HJAARN CCCCN(C(=S)Nc1cccc(C(F)(F)F)c1)C1CCN(C(C)=O)CC1 ZINC000004667976 558877804 /nfs/dbraw/zinc/87/78/04/558877804.db2.gz GVOMYRYKVPQYFJ-UHFFFAOYSA-N 0 0 401.498 4.515 50 0 HJAARN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(CCc3nc4ccccc4[nH]3)c2)c1 ZINC000033116566 558877900 /nfs/dbraw/zinc/87/79/00/558877900.db2.gz TVDYMPVQJZIGAZ-UHFFFAOYSA-N 0 0 405.523 4.766 50 0 HJAARN CC(=O)c1ccc(N2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)cc1 ZINC000055292260 558878572 /nfs/dbraw/zinc/87/85/72/558878572.db2.gz BVHVTFQVPDAESP-UHFFFAOYSA-N 0 0 400.522 4.790 50 0 HJAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)c2cccc(C)c2)cc1 ZINC000033121892 558878839 /nfs/dbraw/zinc/87/88/39/558878839.db2.gz MZYPNTAFVIZJLL-UHFFFAOYSA-N 0 0 403.511 4.707 50 0 HJAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1C ZINC000055374207 558880580 /nfs/dbraw/zinc/88/05/80/558880580.db2.gz GGRRMLQAMKZGQY-UHFFFAOYSA-N 0 0 415.522 4.677 50 0 HJAARN CSc1cccc(NC(=O)N[C@@H](C(=O)N2CCc3ccccc32)c2ccccc2)c1 ZINC000033127899 558881244 /nfs/dbraw/zinc/88/12/44/558881244.db2.gz UXPUZFGTZRBIFI-JOCHJYFZSA-N 0 0 417.534 4.861 50 0 HJAARN Cc1ccc(-n2nc(S[C@H](C)C(=O)Nc3cccc(Cl)c3C)ccc2=O)cc1 ZINC000033128292 558882062 /nfs/dbraw/zinc/88/20/62/558882062.db2.gz MDDYFVNECFHEDK-OAHLLOKOSA-N 0 0 413.930 4.622 50 0 HJAARN COc1ccc(C)cc1NC(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CC2 ZINC000033128752 558882602 /nfs/dbraw/zinc/88/26/02/558882602.db2.gz DNUPOONCUUUBSG-UHFFFAOYSA-N 0 0 401.466 4.851 50 0 HJAARN COc1ccc(OC)c(NC(=O)c2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)c1 ZINC000033129597 558885432 /nfs/dbraw/zinc/88/54/32/558885432.db2.gz CHDSCRIDVNOJCT-UHFFFAOYSA-N 0 0 419.412 4.812 50 0 HJAARN CC(C)CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000033130315 558886617 /nfs/dbraw/zinc/88/66/17/558886617.db2.gz PVIUVJKSILRBLE-UHFFFAOYSA-N 0 0 422.550 4.930 50 0 HJAARN O=C(NCc1ccc2c(c1)OCO2)c1csc(Nc2cccc3ccccc32)n1 ZINC000004675279 558886989 /nfs/dbraw/zinc/88/69/89/558886989.db2.gz KKJLLVHVMYMHCU-UHFFFAOYSA-N 0 0 403.463 4.699 50 0 HJAARN COc1ccc(C(=O)NC(=S)Nc2cc3oc4ccccc4c3cc2OC)cc1 ZINC000004624079 558887570 /nfs/dbraw/zinc/88/75/70/558887570.db2.gz BTMJIVPDVJHBGD-UHFFFAOYSA-N 0 0 406.463 4.730 50 0 HJAARN O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCN1C(=O)c1ccc2ccccc2n1 ZINC000033133154 558888202 /nfs/dbraw/zinc/88/82/02/558888202.db2.gz XQCMKGMMJOXUMS-IBGZPJMESA-N 0 0 414.292 4.785 50 0 HJAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccc(C)cc1 ZINC000004675931 558888394 /nfs/dbraw/zinc/88/83/94/558888394.db2.gz FEQSEFXGTSNOQG-UHFFFAOYSA-N 0 0 417.490 4.939 50 0 HJAARN COc1ccc(OC)c([C@@H]2CC(c3c(C)cc(C)[nH]c3=O)=NN2c2ccccc2F)c1 ZINC000004625237 558888650 /nfs/dbraw/zinc/88/86/50/558888650.db2.gz DTMAVMVTXZZTLN-NRFANRHFSA-N 0 0 421.472 4.504 50 0 HJAARN CCOCCCNC(=O)c1ccc(Oc2nccnc2Sc2ccccc2)cc1 ZINC000033139992 558891786 /nfs/dbraw/zinc/89/17/86/558891786.db2.gz IPRIPSDJGBSOHJ-UHFFFAOYSA-N 0 0 409.511 4.577 50 0 HJAARN Cc1cc2n(n1)[C@H](c1ccc(Br)cc1)C(C(=O)Nc1ccccc1)=C(C)N2 ZINC000072332695 558893005 /nfs/dbraw/zinc/89/30/05/558893005.db2.gz SDKWNTAWASBBBH-HXUWFJFHSA-N 0 0 423.314 4.882 50 0 HJAARN Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000033141794 558893487 /nfs/dbraw/zinc/89/34/87/558893487.db2.gz IYKSTEOHCBYLHY-UHFFFAOYSA-N 0 0 414.552 4.751 50 0 HJAARN COc1ccc(Br)c(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)c1 ZINC000058005269 558894501 /nfs/dbraw/zinc/89/45/01/558894501.db2.gz UQYGWJUOHVOLNU-UHFFFAOYSA-N 0 0 415.165 4.870 50 0 HJAARN O=c1c2cnc3nc(C4CCCCC4)nn3c2ccn1-c1ccc(Cl)cc1Cl ZINC000071385027 558897115 /nfs/dbraw/zinc/89/71/15/558897115.db2.gz IQTCMYKSJBWFFM-UHFFFAOYSA-N 0 0 414.296 4.783 50 0 HJAARN O=C(COc1ccccc1F)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000011168386 558900962 /nfs/dbraw/zinc/90/09/62/558900962.db2.gz ZBDHXQNVMJAOLV-UHFFFAOYSA-N 0 0 404.235 4.543 50 0 HJAARN Cn1cnc(-c2ccccc2)c1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000058137704 558901248 /nfs/dbraw/zinc/90/12/48/558901248.db2.gz XLNHTWUXABMICF-UHFFFAOYSA-N 0 0 420.476 4.587 50 0 HJAARN COC(=O)C(C(=O)OC)[C@H](c1ccc(Cl)cc1)[C@H](C)C(=O)c1ccc(C)cc1C ZINC000004694041 558904065 /nfs/dbraw/zinc/90/40/65/558904065.db2.gz KXZKTUCOFABAST-KXBFYZLASA-N 0 0 416.901 4.522 50 0 HJAARN O=C(Nc1cc(NC(=O)N2CCO[C@@H]3CCCC[C@@H]32)ccc1F)C1CCCCC1 ZINC000058158842 558904220 /nfs/dbraw/zinc/90/42/20/558904220.db2.gz ABISGOLJCRDKNP-VQTJNVASSA-N 0 0 403.498 4.520 50 0 HJAARN CN(Cc1ccc(-c2ccc(Br)cc2)o1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000058159560 558904585 /nfs/dbraw/zinc/90/45/85/558904585.db2.gz XIIVDNRGGIJBIA-UHFFFAOYSA-N 0 0 424.298 4.578 50 0 HJAARN FC(F)(F)c1nc2ccccc2c(N2CCN(Cc3ccc(Cl)s3)CC2)n1 ZINC000058160020 558904813 /nfs/dbraw/zinc/90/48/13/558904813.db2.gz CVFNKBBSMQRVIF-UHFFFAOYSA-N 0 0 412.868 4.686 50 0 HJAARN Cc1ccc(-c2noc(-c3ccccc3S(=O)(=O)N(C)c3ccc(C)cc3)n2)cc1 ZINC000033175642 558905019 /nfs/dbraw/zinc/90/50/19/558905019.db2.gz XFHHZBXOAMBWKG-UHFFFAOYSA-N 0 0 419.506 4.846 50 0 HJAARN O=C(c1cnc(Nc2ccccc2)nc1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000071738818 558908441 /nfs/dbraw/zinc/90/84/41/558908441.db2.gz BPTPYUTYBUPFFW-IBGZPJMESA-N 0 0 404.489 4.844 50 0 HJAARN CCOc1ccc(CN(CCCn2ccnc2)C(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000058202118 558911345 /nfs/dbraw/zinc/91/13/45/558911345.db2.gz ZVVBKLMFBRJNMJ-UHFFFAOYSA-N 0 0 420.513 4.609 50 0 HJAARN CCCOc1ccc(C(=O)NC(=S)Nc2ccc(Cc3ccncc3)cc2)cc1 ZINC000004703871 558913357 /nfs/dbraw/zinc/91/33/57/558913357.db2.gz RJHRGLSNCADFJW-UHFFFAOYSA-N 0 0 405.523 4.588 50 0 HJAARN CCOc1cccc2c1O[C@H](c1ccc(C(=O)OC)cc1)N1N=C(c3ccco3)C[C@H]21 ZINC000004715680 558914929 /nfs/dbraw/zinc/91/49/29/558914929.db2.gz NSHDOYBCZMSNMP-AUSIDOKSSA-N 0 0 418.449 4.707 50 0 HJAARN COc1ccc(N(C)C(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cn1 ZINC000058270334 558916292 /nfs/dbraw/zinc/91/62/92/558916292.db2.gz MHGTUQUVUMCRMD-UHFFFAOYSA-N 0 0 403.413 4.828 50 0 HJAARN CCC[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N1CCc2sccc2C1 ZINC000058306853 558918505 /nfs/dbraw/zinc/91/85/05/558918505.db2.gz ZTMYAZMMBHTHCJ-JOCHJYFZSA-N 0 0 418.562 4.899 50 0 HJAARN Cc1ccc(CNc2ccc3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc3n2)cc1 ZINC000033250515 558919352 /nfs/dbraw/zinc/91/93/52/558919352.db2.gz ADCUTQMNXPUFMW-SFHVURJKSA-N 0 0 409.555 4.718 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)c(C(F)(F)F)nc2cc(C)c(C)cc21 ZINC000033251115 558919492 /nfs/dbraw/zinc/91/94/92/558919492.db2.gz IPMOVISVHYQNMR-UHFFFAOYSA-N 0 0 423.822 4.633 50 0 HJAARN CCc1ccc([C@H](NC(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)C(C)C)cc1 ZINC000058341189 558920282 /nfs/dbraw/zinc/92/02/82/558920282.db2.gz KWKRGQHVONPTAD-MJGOQNOKSA-N 0 0 414.493 4.667 50 0 HJAARN Cc1ccc(CNC(=O)NCCn2c(CCc3ccccc3)nc3ccccc32)cc1 ZINC000033252158 558920294 /nfs/dbraw/zinc/92/02/94/558920294.db2.gz AVWAZXOSGXLETR-UHFFFAOYSA-N 0 0 412.537 4.629 50 0 HJAARN Cc1cccc(CNC(=O)c2[nH]c3ccc(F)cc3c2NC(=O)c2ccccc2)c1 ZINC000033252530 558920839 /nfs/dbraw/zinc/92/08/39/558920839.db2.gz LSDWHIFLPPNEHG-UHFFFAOYSA-N 0 0 401.441 4.798 50 0 HJAARN Cc1ccc2[nH]c(C(=O)NCc3ccc(F)cc3)c(NC(=O)c3ccccc3)c2c1 ZINC000033252554 558920854 /nfs/dbraw/zinc/92/08/54/558920854.db2.gz FRMLMFPXINUYEP-UHFFFAOYSA-N 0 0 401.441 4.798 50 0 HJAARN O=C(C[C@@H]1CCCO1)Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1 ZINC000058358091 558921618 /nfs/dbraw/zinc/92/16/18/558921618.db2.gz NHMRZBLMPRXRGS-ZDUSSCGKSA-N 0 0 419.250 4.904 50 0 HJAARN COc1cccc(NC(=O)N2CCC(c3nc(-c4ccccc4Cl)no3)CC2)c1 ZINC000033255293 558923094 /nfs/dbraw/zinc/92/30/94/558923094.db2.gz HRIUTZYTFPDEAP-UHFFFAOYSA-N 0 0 412.877 4.810 50 0 HJAARN CCc1cc(Sc2ccccc2NC(=O)c2cccc(F)c2)n2nc(C)nc2n1 ZINC000033257083 558924071 /nfs/dbraw/zinc/92/40/71/558924071.db2.gz DKXKHDWNBVVKIU-UHFFFAOYSA-N 0 0 407.474 4.538 50 0 HJAARN COc1cc(OC)c(NC(=O)c2cccc(-c3noc(C4CCC4)n3)c2)cc1Cl ZINC000033257677 558924484 /nfs/dbraw/zinc/92/44/84/558924484.db2.gz WUKNTPDOYZNUHR-UHFFFAOYSA-N 0 0 413.861 4.927 50 0 HJAARN Cc1nc(S(=O)(=O)Cc2coc(-c3ccc(C)cc3)n2)n(C2CCCCC2)c1C ZINC000058423755 558926063 /nfs/dbraw/zinc/92/60/63/558926063.db2.gz CWANPVFHKJJSMK-UHFFFAOYSA-N 0 0 413.543 4.942 50 0 HJAARN Cc1cc(NC(=O)[C@H](C)n2c(=S)[nH]nc2-c2cccs2)ccc1Br ZINC000058430606 558926566 /nfs/dbraw/zinc/92/65/66/558926566.db2.gz AQHQQAKDLNEYLQ-JTQLQIEISA-N 0 0 423.361 4.940 50 0 HJAARN Cc1cc(NC(=O)[C@@H](C)n2c(=S)[nH]nc2-c2cccs2)ccc1Br ZINC000058430601 558926580 /nfs/dbraw/zinc/92/65/80/558926580.db2.gz AQHQQAKDLNEYLQ-SNVBAGLBSA-N 0 0 423.361 4.940 50 0 HJAARN O=C1N(Cc2ccccc2)c2ccc(Cl)cc2[C@]1(O)[C@H]1CCc2ccccc2C1=O ZINC000072193911 558930987 /nfs/dbraw/zinc/93/09/87/558930987.db2.gz ZYAYJMIHRVQVMD-NBGIEHNGSA-N 0 0 417.892 4.520 50 0 HJAARN Cc1ccc(-c2noc(CSc3ccc(-c4ccc5c(c4)OCO5)nn3)n2)cc1C ZINC000033262467 558931289 /nfs/dbraw/zinc/93/12/89/558931289.db2.gz OHNBXZDMQBIZGE-UHFFFAOYSA-N 0 0 418.478 4.831 50 0 HJAARN Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nn1cnc2ccccc21 ZINC000059018283 558931677 /nfs/dbraw/zinc/93/16/77/558931677.db2.gz FUYUELMTVYPFKE-UHFFFAOYSA-N 0 0 410.886 4.696 50 0 HJAARN CCCN(Cc1cc(=O)n2c(C)csc2n1)[C@@H](C)c1ccccc1Br ZINC000059121778 558932013 /nfs/dbraw/zinc/93/20/13/558932013.db2.gz GUCXDNHPDUMHNL-AWEZNQCLSA-N 0 0 420.376 4.800 50 0 HJAARN CC(C)(C)[C@H](NC(=O)Cc1cc2c(cc1Br)OCCO2)c1cccs1 ZINC000059280270 558933345 /nfs/dbraw/zinc/93/33/45/558933345.db2.gz KUAQFQTWOWFNEG-GOSISDBHSA-N 0 0 424.360 4.728 50 0 HJAARN Cc1ccc(C)c([C@H]2CC(=O)Nc3nc(SCc4ccccc4F)[nH]c(=O)c32)c1 ZINC000021784353 558949610 /nfs/dbraw/zinc/94/96/10/558949610.db2.gz SDDYNDSLZOQCQY-MRXNPFEDSA-N 0 0 409.486 4.705 50 0 HJAARN Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@H](c2ccc(C)cc2C)CC(=O)N3)c1 ZINC000021784232 558949630 /nfs/dbraw/zinc/94/96/30/558949630.db2.gz ILMGSTRZENXCJO-SFHVURJKSA-N 0 0 405.523 4.874 50 0 HJAARN CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCCOc1cccc(OC)c1 ZINC000021786967 558950398 /nfs/dbraw/zinc/95/03/98/558950398.db2.gz HCELJXXTXAMPPN-QHCPKHFHSA-N 0 0 421.541 4.978 50 0 HJAARN CC[C@H](C)N1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021809818 558953062 /nfs/dbraw/zinc/95/30/62/558953062.db2.gz XGBDXOCNGZCBCQ-NYHFZMIOSA-N 0 0 401.576 4.555 50 0 HJAARN CCCN1C(=O)c2cc3sc(CC)cc3n2C[C@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021810085 558953076 /nfs/dbraw/zinc/95/30/76/558953076.db2.gz MMMHMKJKPDULPC-AZGABAMRSA-N 0 0 415.603 4.585 50 0 HJAARN Cc1cccc(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCC2)c1C ZINC000021810500 558953247 /nfs/dbraw/zinc/95/32/47/558953247.db2.gz UVQRVWFEDZHCTF-VWLOTQADSA-N 0 0 419.525 4.719 50 0 HJAARN CCc1ccc(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000021810504 558953314 /nfs/dbraw/zinc/95/33/14/558953314.db2.gz BKRMQBPPGHPKEC-VWLOTQADSA-N 0 0 419.525 4.665 50 0 HJAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCC2)N(C2CCCCC2)C3=O)o1 ZINC000021810861 558953455 /nfs/dbraw/zinc/95/34/55/558953455.db2.gz SOEOBJKJQMLGKD-XMMPIXPASA-N 0 0 411.546 4.539 50 0 HJAARN Cc1oc(-c2ccccc2Cl)nc1Cn1cnc2nc3c(cc2c1=O)C[C@@H](C)CC3 ZINC000033059734 558953789 /nfs/dbraw/zinc/95/37/89/558953789.db2.gz PCMBSABWDYDPPN-ZDUSSCGKSA-N 0 0 420.900 4.581 50 0 HJAARN COc1ccc(NC(=O)CSCc2cc(=O)c3ccc(C)c(C)c3[nH]2)cc1Cl ZINC000033064028 558956760 /nfs/dbraw/zinc/95/67/60/558956760.db2.gz SKMUEAMEJBERBI-UHFFFAOYSA-N 0 0 416.930 4.679 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)CSCc1cc(=O)c2c(C)cc(C)cc2[nH]1 ZINC000033064106 558956948 /nfs/dbraw/zinc/95/69/48/558956948.db2.gz BZNVYPMBEFWOKD-UHFFFAOYSA-N 0 0 416.930 4.679 50 0 HJAARN Cc1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4ccccc4n3)cc2)cc1C ZINC000033067770 558957642 /nfs/dbraw/zinc/95/76/42/558957642.db2.gz SLAMVCMLJOLKMW-UHFFFAOYSA-N 0 0 414.465 4.534 50 0 HJAARN CCN1CCN(c2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2Cl)CC1 ZINC000064370018 558962868 /nfs/dbraw/zinc/96/28/68/558962868.db2.gz RSBWKLPMGLDAHZ-UHFFFAOYSA-N 0 0 411.977 4.932 50 0 HJAARN Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)N(C)C1CCCCC1 ZINC000064450476 558963659 /nfs/dbraw/zinc/96/36/59/558963659.db2.gz ZTGRXJCVPWAURX-UHFFFAOYSA-N 0 0 417.556 4.727 50 0 HJAARN Cc1cccc(N2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NC2CCCC2)c1C ZINC000064662040 558964943 /nfs/dbraw/zinc/96/49/43/558964943.db2.gz ZRQGMUWPPMMGNE-DEOSSOPVSA-N 0 0 421.566 4.798 50 0 HJAARN CCOc1ccccc1NC(=O)c1ccc2oc(=O)n(Cc3ccc(C)cc3)c2c1 ZINC000064894546 558967312 /nfs/dbraw/zinc/96/73/12/558967312.db2.gz MRVUMNHUJRMLLY-UHFFFAOYSA-N 0 0 402.450 4.602 50 0 HJAARN O=c1c2ccccc2c(-c2nc(-c3ccc(Cl)cc3)no2)nn1-c1ccccc1 ZINC000064949550 558967726 /nfs/dbraw/zinc/96/77/26/558967726.db2.gz ZBZFJWFBCPMZFT-UHFFFAOYSA-N 0 0 400.825 4.756 50 0 HJAARN CCc1ccc(-n2nc(-c3nc(-c4cccc(F)c4)no3)c3ccccc3c2=O)cc1 ZINC000064950065 558967849 /nfs/dbraw/zinc/96/78/49/558967849.db2.gz GJSLXIFSYGGKCF-UHFFFAOYSA-N 0 0 412.424 4.804 50 0 HJAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCCCC[C@@H]1c1ccc(C)cc1 ZINC000064984282 558968408 /nfs/dbraw/zinc/96/84/08/558968408.db2.gz IMJOAIHKMAVMBA-OAQYLSRUSA-N 0 0 400.544 4.568 50 0 HJAARN COc1ccc(S(=O)(=O)N2CCCCC[C@@H]2c2ccccc2Cl)cc1OC ZINC000064984096 558968415 /nfs/dbraw/zinc/96/84/15/558968415.db2.gz ATCNCLHMQBPPBV-GOSISDBHSA-N 0 0 409.935 4.663 50 0 HJAARN COc1ccc(-c2nc3c(C)cccc3cc2CN(C)Cc2cc[nH]n2)cc1OC ZINC000072425701 558978854 /nfs/dbraw/zinc/97/88/54/558978854.db2.gz GDCIPWVUIVHDAD-UHFFFAOYSA-N 0 0 402.498 4.583 50 0 HJAARN CCc1cccc(NC(=O)Nc2ccc(Nc3cc(-n4ccnc4)nc(C)n3)cc2)c1 ZINC000072437438 558980797 /nfs/dbraw/zinc/98/07/97/558980797.db2.gz FOYMDRNPTAHZSD-UHFFFAOYSA-N 0 0 413.485 4.921 50 0 HJAARN CC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)N[C@H](C)c3ccc(F)cc3)c2)C1 ZINC000033264368 558984357 /nfs/dbraw/zinc/98/43/57/558984357.db2.gz ISGJZBYEEPKLJD-UTKZUKDTSA-N 0 0 411.521 4.614 50 0 HJAARN CC(C)NC(=O)N1CCC[C@@H](c2cccc(C(=O)N[C@H](C)c3ccc(F)cc3)c2)C1 ZINC000033264367 558984399 /nfs/dbraw/zinc/98/43/99/558984399.db2.gz ISGJZBYEEPKLJD-DYESRHJHSA-N 0 0 411.521 4.614 50 0 HJAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1C ZINC000004729045 558985406 /nfs/dbraw/zinc/98/54/06/558985406.db2.gz YBWSFNQMQIAUHI-VWKPWSFCSA-N 0 0 414.521 4.720 50 0 HJAARN CC1(C)Cc2ccccc2C(=C(C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)N1 ZINC000004729167 558985551 /nfs/dbraw/zinc/98/55/51/558985551.db2.gz GGOOTBJEOARJMC-UHFFFAOYSA-N 0 0 411.505 4.599 50 0 HJAARN COc1cc(C)c(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1OC ZINC000011211918 558986047 /nfs/dbraw/zinc/98/60/47/558986047.db2.gz PWXSNZZCVMZDDK-UHFFFAOYSA-N 0 0 420.469 4.850 50 0 HJAARN CN1C[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2cccs2)[C@@]12C(=O)Nc1ccccc12 ZINC000043732342 558989307 /nfs/dbraw/zinc/98/93/07/558989307.db2.gz OTUKDDLHXSNQFC-LQNXUBFPSA-N 0 0 422.937 4.777 50 0 HJAARN Cc1ccc(C)c(NC(=O)N2CC[C@H](n3c(-c4ccco4)nc4cccnc43)C2)c1 ZINC000097112207 558995485 /nfs/dbraw/zinc/99/54/85/558995485.db2.gz YENQEZGFFVWOMD-KRWDZBQOSA-N 0 0 401.470 4.787 50 0 HJAARN CCN(Cc1ccccc1)C(=O)[C@H]1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1 ZINC000022484191 558996930 /nfs/dbraw/zinc/99/69/30/558996930.db2.gz NLHOYCQJKRBQGF-NRFANRHFSA-N 0 0 418.516 4.548 50 0 HJAARN Cn1cnnc1-c1ccc(NCc2cn(-c3ccccc3Cl)nc2C(C)(C)C)nc1 ZINC000097162792 558998193 /nfs/dbraw/zinc/99/81/93/558998193.db2.gz JGTDEVLPWDPOBC-UHFFFAOYSA-N 0 0 421.936 4.626 50 0 HJAARN CC(C)[C@@H](NC(=O)CSc1ncccc1Cl)c1ccc2c(c1)OCCCO2 ZINC000011250557 559010958 /nfs/dbraw/zinc/01/09/58/559010958.db2.gz XLPPUWWMVHCQRY-LJQANCHMSA-N 0 0 406.935 4.502 50 0 HJAARN O=C(Nc1cccnc1-n1cccn1)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000023170867 559025363 /nfs/dbraw/zinc/02/53/63/559025363.db2.gz PZSKHOWGNUJMNV-UHFFFAOYSA-N 0 0 403.056 4.528 50 0 HJAARN Cc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000004732448 559032785 /nfs/dbraw/zinc/03/27/85/559032785.db2.gz KMFOSHZHLXZLBC-UHFFFAOYSA-N 0 0 417.900 4.797 50 0 HJAARN CCc1cc(Sc2ccc(NC(=O)Nc3cccc(F)c3)cc2)n2nc(C)nc2n1 ZINC000033276022 559035515 /nfs/dbraw/zinc/03/55/15/559035515.db2.gz AHYSREVFPZVOQC-UHFFFAOYSA-N 0 0 422.489 4.929 50 0 HJAARN Cc1ccc([C@H]2N=C(Nc3cccc(Cl)c3Cl)Nc3nc(C)cc(=O)n32)cc1 ZINC000004737010 559036616 /nfs/dbraw/zinc/03/66/16/559036616.db2.gz UYEHVAZRNYAFRN-SFHVURJKSA-N 0 0 414.296 4.607 50 0 HJAARN COc1ccc(-c2noc(CSc3nccn3-c3ccc(C)cc3)n2)cc1OC ZINC000033278094 559039337 /nfs/dbraw/zinc/03/93/37/559039337.db2.gz KWBRULKJQWUFBF-UHFFFAOYSA-N 0 0 408.483 4.540 50 0 HJAARN Cc1c2cc(CNC(=O)[C@H]3CC(=O)OC34CCCC4)ccc2[nH]c1-c1ccc(F)cc1 ZINC000082125376 559039638 /nfs/dbraw/zinc/03/96/38/559039638.db2.gz QRFVTBDNEABGIB-HXUWFJFHSA-N 0 0 420.484 4.775 50 0 HJAARN CCCC[C@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)CN1C(=O)c1cscn1 ZINC000082156063 559041414 /nfs/dbraw/zinc/04/14/14/559041414.db2.gz HEUZGRSFVASIBJ-NRFANRHFSA-N 0 0 419.550 4.858 50 0 HJAARN COc1ccc(OC)c(NC(=O)c2ccc(-c3nc(-c4ccccc4)no3)cc2)c1 ZINC000033278889 559042297 /nfs/dbraw/zinc/04/22/97/559042297.db2.gz UPLHATLIZNFUGK-UHFFFAOYSA-N 0 0 401.422 4.673 50 0 HJAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-c2nc(-c3cccc(F)c3)no2)cc1 ZINC000033279015 559042387 /nfs/dbraw/zinc/04/23/87/559042387.db2.gz KBVUASCYLCYBJC-UHFFFAOYSA-N 0 0 417.396 4.566 50 0 HJAARN O=C(Nc1ccc2c(c1)OCCO2)c1cccc(-c2nc(-c3cccc(F)c3)no2)c1 ZINC000033279102 559042508 /nfs/dbraw/zinc/04/25/08/559042508.db2.gz MHKSTUBZKGRKRI-UHFFFAOYSA-N 0 0 417.396 4.566 50 0 HJAARN CN(C)NC(=S)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 ZINC000004739767 559043236 /nfs/dbraw/zinc/04/32/36/559043236.db2.gz HXWHDHLIBDDZRJ-UHFFFAOYSA-N 0 0 411.581 4.850 50 0 HJAARN COC(=O)[C@H](C)N1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccccc1 ZINC000004740104 559043281 /nfs/dbraw/zinc/04/32/81/559043281.db2.gz XJJAFZNGKMUBPU-UPCLLVRISA-N 0 0 410.473 4.942 50 0 HJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)c2ccc(F)cc2Cl)cc1 ZINC000033288188 559044283 /nfs/dbraw/zinc/04/42/83/559044283.db2.gz VUVSFGBLELJMRH-UHFFFAOYSA-N 0 0 407.832 4.739 50 0 HJAARN C[C@H](NC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc21)c1ccccc1 ZINC000004742855 559044675 /nfs/dbraw/zinc/04/46/75/559044675.db2.gz KLEJPCWSIFJSAQ-SSOJOUAXSA-N 0 0 409.489 4.591 50 0 HJAARN CCOc1ccc(NC(=O)CSc2ncnc3c(-c4cccc(F)c4)c[nH]c32)cc1 ZINC000033291877 559045979 /nfs/dbraw/zinc/04/59/79/559045979.db2.gz YFCFQBDFQCKVHJ-UHFFFAOYSA-N 0 0 422.485 4.894 50 0 HJAARN CC1CCN(c2nccnc2Oc2ccc(C(=O)Nc3cccc(F)c3)cc2)CC1 ZINC000033296744 559047381 /nfs/dbraw/zinc/04/73/81/559047381.db2.gz HCRJUEJQZCMRBV-UHFFFAOYSA-N 0 0 406.461 4.897 50 0 HJAARN Cc1nc(-c2csc(S(=O)(=O)NCc3ccc(F)c(Cl)c3)c2)sc1C ZINC000033297662 559047562 /nfs/dbraw/zinc/04/75/62/559047562.db2.gz LOSQIPLCCAVFKC-UHFFFAOYSA-N 0 0 416.952 4.759 50 0 HJAARN CCOc1ccc(-c2csc(Cc3nc(-c4ccc(OC)cc4OC)no3)n2)cc1 ZINC000033298232 559047781 /nfs/dbraw/zinc/04/77/81/559047781.db2.gz MFGOKJTVLCUYIR-UHFFFAOYSA-N 0 0 423.494 4.867 50 0 HJAARN COc1ccc2[nH]c3c(ncnc3SCC(=O)Nc3ccc(C)cc3Cl)c2c1 ZINC000033298750 559048006 /nfs/dbraw/zinc/04/80/06/559048006.db2.gz LQEVXTDFIGJEBS-UHFFFAOYSA-N 0 0 412.902 4.812 50 0 HJAARN CCSc1nc2ccc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)cc2s1 ZINC000033298848 559048176 /nfs/dbraw/zinc/04/81/76/559048176.db2.gz XNPZUHRRRBMYAT-UHFFFAOYSA-N 0 0 414.961 4.871 50 0 HJAARN CCOC(=O)/C=C(\C)N1N=C2c3cc(OC)ccc3CC[C@@H]2[C@H]1c1ccc(F)cc1 ZINC000004750727 559048956 /nfs/dbraw/zinc/04/89/56/559048956.db2.gz UUPXZEATKTYCII-XUXQCEFFSA-N 0 0 408.473 4.625 50 0 HJAARN CCOc1ccc(-n2nnc(-c3nsc(Nc4ccc(Cl)cc4)n3)c2C)cc1 ZINC000033302077 559051178 /nfs/dbraw/zinc/05/11/78/559051178.db2.gz QOGOTSOLASJSRX-UHFFFAOYSA-N 0 0 412.906 4.890 50 0 HJAARN Cc1nc(-c2cc(S(=O)(=O)NCc3ccc(OC(C)C)cc3)c(C)s2)cs1 ZINC000033308431 559052596 /nfs/dbraw/zinc/05/25/96/559052596.db2.gz QMBPQYNIHVFKOQ-UHFFFAOYSA-N 0 0 422.597 4.754 50 0 HJAARN O=C(NCCSc1ccc(C(=O)Nc2ccccc2)cn1)c1ccc(Cl)cc1 ZINC000033308502 559052614 /nfs/dbraw/zinc/05/26/14/559052614.db2.gz CWKWQNPSXMLJJQ-UHFFFAOYSA-N 0 0 411.914 4.509 50 0 HJAARN COc1ccc([C@H](C)NC(=O)c2ccc(-c3nccnc3N3CCCCC3)cc2)cc1 ZINC000033313158 559055186 /nfs/dbraw/zinc/05/51/86/559055186.db2.gz GUJMSPVNNFIPHH-SFHVURJKSA-N 0 0 416.525 4.634 50 0 HJAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc3c(s2)CCCCC3)c1C ZINC000004767970 559055399 /nfs/dbraw/zinc/05/53/99/559055399.db2.gz BTSMNIBFHVUYMN-AWEZNQCLSA-N 0 0 417.527 4.567 50 0 HJAARN O=C1[C@@H]2CS[C@@H](c3cccc(Cl)c3)N2C(=O)N1c1ccc(Br)cc1 ZINC000033317881 559055761 /nfs/dbraw/zinc/05/57/61/559055761.db2.gz SNOXUXSHMUGBDT-HOCLYGCPSA-N 0 0 423.719 4.685 50 0 HJAARN CCOc1ccc(NC(=O)COc2ccccc2-c2noc(-c3ccccc3)n2)cc1 ZINC000033325202 559058619 /nfs/dbraw/zinc/05/86/19/559058619.db2.gz FCMNLPBGLVZMOI-UHFFFAOYSA-N 0 0 415.449 4.820 50 0 HJAARN Cc1cccc(-c2nc3nc(C)c(CC(=O)Nc4ccccc4Cl)c(C)n3n2)c1 ZINC000086069876 559059416 /nfs/dbraw/zinc/05/94/16/559059416.db2.gz JUFPQNOTQVUQTQ-UHFFFAOYSA-N 0 0 405.889 4.551 50 0 HJAARN O=C(NC[C@H](O)c1csc2ccccc21)C1c2ccccc2Oc2ccccc21 ZINC000585147982 559059445 /nfs/dbraw/zinc/05/94/45/559059445.db2.gz BOGPZBHERYJZPG-IBGZPJMESA-N 0 0 401.487 4.989 50 0 HJAARN O=C(COc1cccc(-c2noc(-c3ccccc3F)n2)c1)Nc1ccc(F)cc1 ZINC000033327355 559060076 /nfs/dbraw/zinc/06/00/76/559060076.db2.gz GJMHJLCPYSURLR-UHFFFAOYSA-N 0 0 407.376 4.699 50 0 HJAARN COc1ccc(-c2nc(-c3cccc(OCC(=O)Nc4ccc(C)cc4)c3)no2)cc1 ZINC000033327396 559060172 /nfs/dbraw/zinc/06/01/72/559060172.db2.gz WQFPNHVOAAKKCF-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN CCc1nc(NC(=O)c2ccccc2OC)sc1-c1nc(-c2ccccc2)no1 ZINC000033331273 559062176 /nfs/dbraw/zinc/06/21/76/559062176.db2.gz QMGUQJUIZKRPLE-UHFFFAOYSA-N 0 0 406.467 4.683 50 0 HJAARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1ccc(F)c(F)c1F ZINC000011370619 559062385 /nfs/dbraw/zinc/06/23/85/559062385.db2.gz KUMICYUHHMMRLC-UHFFFAOYSA-N 0 0 402.401 4.849 50 0 HJAARN Cc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)c(C)c1 ZINC000004784291 559063062 /nfs/dbraw/zinc/06/30/62/559063062.db2.gz XQWODZBQXFXRJI-VWLOTQADSA-N 0 0 419.908 4.964 50 0 HJAARN Cc1c(C(=O)OC(C)C)sc(NC(=O)/C=C\c2cccs2)c1C(=O)OC(C)C ZINC000033332733 559063247 /nfs/dbraw/zinc/06/32/47/559063247.db2.gz LPTUJPHKLHRBCN-HJWRWDBZSA-N 0 0 421.540 4.900 50 0 HJAARN CCOc1ccc(/C=C2\SC(=O)N(CNc3ccccc3F)C2=O)cc1OCC ZINC000033348747 559065313 /nfs/dbraw/zinc/06/53/13/559065313.db2.gz ICEDOFRAAGFQBG-UNOMPAQXSA-N 0 0 416.474 4.729 50 0 HJAARN CSCC[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1ccccc1 ZINC000004812763 559069499 /nfs/dbraw/zinc/06/94/99/559069499.db2.gz KLXSKEYXOCVRNC-IBGZPJMESA-N 0 0 405.523 4.902 50 0 HJAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CCN(c2nccs2)CC1 ZINC000095519216 559084865 /nfs/dbraw/zinc/08/48/65/559084865.db2.gz QJYRBCRSDGLVLX-UHFFFAOYSA-N 0 0 404.495 4.806 50 0 HJAARN Cc1cc2c(cc1C)CN(c1cccc(C(=O)N3CCC[C@@H](c4ncc[nH]4)C3)c1)C2 ZINC000095520134 559085079 /nfs/dbraw/zinc/08/50/79/559085079.db2.gz ZJJZQXWKFXOWMY-HXUWFJFHSA-N 0 0 400.526 4.567 50 0 HJAARN CCCCOCCCNC(=O)c1ccc(-c2cc(-c3cccc(OC)c3)[nH]n2)cc1 ZINC000023305003 559095211 /nfs/dbraw/zinc/09/52/11/559095211.db2.gz OGKRTYSLNQGYGU-UHFFFAOYSA-N 0 0 407.514 4.689 50 0 biogenic HJAARN COc1ccc(Cc2nn3c(nnc3-c3oc4ccccc4c3C)s2)cc1OC ZINC000096194264 559101242 /nfs/dbraw/zinc/10/12/42/559101242.db2.gz GWQWZZCBKCNYNE-UHFFFAOYSA-N 0 0 406.467 4.515 50 0 HJAARN Cc1ccc(CN(Cc2nc(C(=O)N3CCCC3)co2)[C@H](C)c2ccccc2)cc1 ZINC000096280015 559108589 /nfs/dbraw/zinc/10/85/89/559108589.db2.gz QEYZSWSJVZXAPF-HXUWFJFHSA-N 0 0 403.526 4.982 50 0 HJAARN CCCCC(=O)N1c2ncnn2[C@@H](c2ccc(C)cc2)C[C@H]1c1ccc(OC)cc1 ZINC000004816572 559112764 /nfs/dbraw/zinc/11/27/64/559112764.db2.gz GVNVCLGEGSTYSS-FCHUYYIVSA-N 0 0 404.514 4.853 50 0 HJAARN COc1cccc(-c2cc(CNC(=O)C3c4ccccc4Oc4ccccc43)no2)c1 ZINC000011613518 559114137 /nfs/dbraw/zinc/11/41/37/559114137.db2.gz ZVZGECCQGMPWCP-UHFFFAOYSA-N 0 0 412.445 4.904 50 0 HJAARN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(C)cc1Cl ZINC000046418948 559115226 /nfs/dbraw/zinc/11/52/26/559115226.db2.gz BEFJWKUSDBXFPD-KRWDZBQOSA-N 0 0 407.297 4.554 50 0 HJAARN COc1ccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c(C)c1 ZINC000098072976 559126585 /nfs/dbraw/zinc/12/65/85/559126585.db2.gz CUXJQHJUEIFUEW-UHFFFAOYSA-N 0 0 424.238 4.586 50 0 HJAARN COc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)cc1Cl ZINC000098211320 559127243 /nfs/dbraw/zinc/12/72/43/559127243.db2.gz KYPTWBLTEBXVIK-UHFFFAOYSA-N 0 0 408.845 4.506 50 0 HJAARN CC[C@H](C(=O)N1CCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1)c1ccccc1 ZINC000098211744 559127430 /nfs/dbraw/zinc/12/74/30/559127430.db2.gz NQELFAZFPINZGA-FQEVSTJZSA-N 0 0 408.933 4.573 50 0 HJAARN COc1ccc(C(F)(F)F)cc1NC=Cc1nnnn1-c1ccc2ccccc2c1 ZINC000100226054 559132464 /nfs/dbraw/zinc/13/24/64/559132464.db2.gz FMIGUFAJGVNVRR-ZHACJKMWSA-N 0 0 411.387 4.926 50 0 HJAARN CC(=O)C(Sc1ncnc2scc(-c3ccc(Br)cc3)c21)=C(C)O ZINC000100271244 559133582 /nfs/dbraw/zinc/13/35/82/559133582.db2.gz KOGUEDATMFRCTI-UHFFFAOYSA-N 0 0 421.341 4.760 50 0 HJAARN Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CSCC(=O)Nc2cccc(C)c2)o1 ZINC000072304726 559133824 /nfs/dbraw/zinc/13/38/24/559133824.db2.gz OKQZBNUPNLEPFC-QFBILLFUSA-N 0 0 400.544 4.568 50 0 HJAARN Cc1ccc(F)c(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1F ZINC000023322617 559140903 /nfs/dbraw/zinc/14/09/03/559140903.db2.gz FZZJQNONIDCKGR-UHFFFAOYSA-N 0 0 406.476 4.821 50 0 HJAARN O=C(Nc1ccc(-c2ccc3nnc(-c4cccs4)n3n2)cc1)c1ccc(F)cc1 ZINC000011665516 559143729 /nfs/dbraw/zinc/14/37/29/559143729.db2.gz YFFHKLXNXYIPTN-UHFFFAOYSA-N 0 0 415.453 4.911 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)c1 ZINC000101875974 559148148 /nfs/dbraw/zinc/14/81/48/559148148.db2.gz UFMTTYUTEDDWDA-UPRAQXHNSA-N 0 0 410.901 4.826 50 0 HJAARN CC(C)(C)c1ccc(OC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)cc2)cc1 ZINC000102531645 559150895 /nfs/dbraw/zinc/15/08/95/559150895.db2.gz UZIIVAVUVWZCIQ-OYRHEFFESA-N 0 0 403.478 4.659 50 0 HJAARN Cc1ccccc1OCCCn1c(CN(C)C(=O)c2ccco2)nc2ccccc21 ZINC000011667144 559151554 /nfs/dbraw/zinc/15/15/54/559151554.db2.gz RYZQGJNYNNXOLH-UHFFFAOYSA-N 0 0 403.482 4.679 50 0 HJAARN C[C@@H]1CN(Cc2csc(NC(=O)C(c3ccccc3)c3ccccc3)n2)C[C@H](C)O1 ZINC000014121682 559152084 /nfs/dbraw/zinc/15/20/84/559152084.db2.gz VUUVJLSLMQWFSD-HDICACEKSA-N 0 0 421.566 4.523 50 0 HJAARN C[C@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000014139245 559153196 /nfs/dbraw/zinc/15/31/96/559153196.db2.gz RKFDHFPSUFILLM-VGOFRKELSA-N 0 0 406.526 4.501 50 0 HJAARN CCCCN(CC)C(=O)c1ccc(-n2nc(-c3nnc(C)o3)cc2C(C)(C)C)cc1 ZINC000023326649 559154298 /nfs/dbraw/zinc/15/42/98/559154298.db2.gz QVGUMACKFFTZQT-UHFFFAOYSA-N 0 0 409.534 4.790 50 0 HJAARN COc1ccc(Nc2nnc(SCC(=O)N(c3ccccc3)C(C)C)s2)cc1 ZINC000004838870 559166950 /nfs/dbraw/zinc/16/69/50/559166950.db2.gz JXTFBKVVYUGGCH-UHFFFAOYSA-N 0 0 414.556 4.824 50 0 HJAARN Cc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)c3cc(F)c(F)cc3F)CC2)cc1 ZINC000023331605 559170428 /nfs/dbraw/zinc/17/04/28/559170428.db2.gz OLJJTTSCUXXOAH-XMMPIXPASA-N 0 0 424.466 4.960 50 0 HJAARN COc1ccccc1C(=O)n1nc(-c2ccco2)nc1NCc1ccc(C(C)C)cc1 ZINC000014611126 559171175 /nfs/dbraw/zinc/17/11/75/559171175.db2.gz WKBBRFBMZLBHCM-UHFFFAOYSA-N 0 0 416.481 4.971 50 0 HJAARN COc1ccccc1-c1nnc(SCc2ccc3c(c2)OCO3)n1-c1ccccc1 ZINC000004840826 559171271 /nfs/dbraw/zinc/17/12/71/559171271.db2.gz SHQWDSASZOPFSS-UHFFFAOYSA-N 0 0 417.490 4.964 50 0 HJAARN CC(=O)O[C@H](C(=O)N1CCc2ccccc2[C@H]1c1ccccc1F)c1ccccc1 ZINC000023335529 559172227 /nfs/dbraw/zinc/17/22/27/559172227.db2.gz UHIPHMKUKNIUNB-ZEQRLZLVSA-N 0 0 403.453 4.604 50 0 HJAARN CCOC(=O)c1cc(-c2ccccc2C)n(-c2ccc(C(=O)N3CCC[C@H]3C)cc2)n1 ZINC000023336516 559172569 /nfs/dbraw/zinc/17/25/69/559172569.db2.gz WUGFYGUGHYNNNF-GOSISDBHSA-N 0 0 417.509 4.649 50 0 HJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)C(C)(C)C)c2)n(-c2ccccc2F)n1 ZINC000023335343 559172912 /nfs/dbraw/zinc/17/29/12/559172912.db2.gz ACOMBIGYQSPOMT-UHFFFAOYSA-N 0 0 409.461 4.840 50 0 HJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)CC(C)C)c2)n(-c2ccccc2OC)n1 ZINC000023425479 559173996 /nfs/dbraw/zinc/17/39/96/559173996.db2.gz DQOXTWMRDHXIFR-UHFFFAOYSA-N 0 0 421.497 4.709 50 0 HJAARN CC(C)C[C@@H](C)NC(=O)c1nn(-c2ccccn2)c2nccc(-c3cccs3)c12 ZINC000023462371 559175812 /nfs/dbraw/zinc/17/58/12/559175812.db2.gz UHSHWTXEPPOLNV-OAHLLOKOSA-N 0 0 405.527 4.708 50 0 HJAARN Cc1ccc(C(=O)N2CCCN(c3nc4ccccc4nc3-c3ccccc3)CC2)cc1 ZINC000023457292 559176221 /nfs/dbraw/zinc/17/62/21/559176221.db2.gz ZJAKJCMVDZLIOL-UHFFFAOYSA-N 0 0 422.532 4.958 50 0 HJAARN Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3nc4ccccc4s3)C2)n1 ZINC000220808466 559177363 /nfs/dbraw/zinc/17/73/63/559177363.db2.gz ASRLNKCHXYLSCW-INIZCTEOSA-N 0 0 418.522 4.750 50 0 HJAARN COc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4)=NN32)cc1OC ZINC000004844482 559179143 /nfs/dbraw/zinc/17/91/43/559179143.db2.gz SKJILRQZZQXYPF-NLFFAJNJSA-N 0 0 416.477 4.955 50 0 HJAARN Cc1ccc(NC(=O)Nc2nnc(SCC(=O)Nc3ccccc3C)s2)cc1 ZINC000004851218 559191039 /nfs/dbraw/zinc/19/10/39/559191039.db2.gz LAUMLWMHSOYJPH-UHFFFAOYSA-N 0 0 413.528 4.530 50 0 HJAARN Cc1ccc(NC(=O)Nc2nnc(SCC(=O)Nc3cccc(C)c3)s2)cc1 ZINC000004851220 559191044 /nfs/dbraw/zinc/19/10/44/559191044.db2.gz LTAJGMJKUVCBFO-UHFFFAOYSA-N 0 0 413.528 4.530 50 0 HJAARN CCCn1c(SCC(=O)Nc2cccc(C)c2C)nc2c3ccccc3oc2c1=O ZINC000004852709 559191486 /nfs/dbraw/zinc/19/14/86/559191486.db2.gz HIWCQJMLGPUFPZ-UHFFFAOYSA-N 0 0 421.522 4.900 50 0 HJAARN O=S(=O)(c1ccc2ccccc2c1)N1CCn2cccc2[C@H]1c1ccc(F)cc1 ZINC000004853915 559192080 /nfs/dbraw/zinc/19/20/80/559192080.db2.gz JWZACGBZLKRNNS-HSZRJFAPSA-N 0 0 406.482 4.574 50 0 HJAARN O=c1c2ccccc2nc(/C=C\c2ccc(Br)cc2)n1-c1ccccn1 ZINC000033436597 559192662 /nfs/dbraw/zinc/19/26/62/559192662.db2.gz NRSKKMYXCHREOF-RAXLEYEMSA-N 0 0 404.267 4.714 50 0 HJAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@]32c3cc(C)ccc3N(C)C2=O)cc1 ZINC000004859877 559192757 /nfs/dbraw/zinc/19/27/57/559192757.db2.gz AOULRMHNQOUIKM-ZEQKJWHPSA-N 0 0 409.489 4.676 50 0 HJAARN COCCn1c(C)cc(C(=O)COC(=O)c2sc3ccccc3c2Cl)c1C ZINC000004870825 559194370 /nfs/dbraw/zinc/19/43/70/559194370.db2.gz PRZDIVVORHJSMA-UHFFFAOYSA-N 0 0 405.903 4.659 50 0 HJAARN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1cc(C2CC2)on1 ZINC000004881240 559196398 /nfs/dbraw/zinc/19/63/98/559196398.db2.gz KKYRDEDRPDLQRQ-UHFFFAOYSA-N 0 0 405.285 4.973 50 0 HJAARN CCN(CCCNC(=O)c1cc2c(s1)c1cc(C)ccc1oc2=O)c1ccccc1 ZINC000004885187 559196782 /nfs/dbraw/zinc/19/67/82/559196782.db2.gz ORLUIORMVPLYOX-UHFFFAOYSA-N 0 0 420.534 4.963 50 0 HJAARN Cc1sc2c(c1C)c(=O)n(Cc1ccccc1)c(=O)n2Cc1cccc(Cl)c1 ZINC000004882571 559197372 /nfs/dbraw/zinc/19/73/72/559197372.db2.gz UWRHSRDCULTTNV-UHFFFAOYSA-N 0 0 410.926 4.592 50 0 HJAARN CC[C@]1(C)N=C(c2ccc(Br)cc2)C(=S)N1C(=O)c1ccccc1 ZINC000004891913 559198608 /nfs/dbraw/zinc/19/86/08/559198608.db2.gz AFGUAVVBTDPPLF-LJQANCHMSA-N 0 0 401.329 4.848 50 0 HJAARN COc1ccc(NC(=O)CSC2=NC(C)(C)N=C2c2ccccc2)cc1Cl ZINC000004892056 559198647 /nfs/dbraw/zinc/19/86/47/559198647.db2.gz LJSVDEIKWJMSRO-UHFFFAOYSA-N 0 0 401.919 4.658 50 0 HJAARN CC1CCN(C(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)CC1 ZINC000004904820 559200431 /nfs/dbraw/zinc/20/04/31/559200431.db2.gz YIBKZKNGVZARES-UHFFFAOYSA-N 0 0 405.542 4.871 50 0 HJAARN CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(F)cc2)[C@@H]1c1c[nH]c2ccccc21 ZINC000004909546 559201488 /nfs/dbraw/zinc/20/14/88/559201488.db2.gz ZCYFUVAQZPAHOX-PKTZIBPZSA-N 0 0 413.452 4.856 50 0 HJAARN CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(F)cc2)[C@H]1c1c[nH]c2ccccc21 ZINC000004909550 559201512 /nfs/dbraw/zinc/20/15/12/559201512.db2.gz ZCYFUVAQZPAHOX-XZOQPEGZSA-N 0 0 413.452 4.856 50 0 HJAARN CCn1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NC(C)C)c2ccccc21 ZINC000004919150 559204687 /nfs/dbraw/zinc/20/46/87/559204687.db2.gz RVXCAVGOZCKIAX-MOSHPQCFSA-N 0 0 409.917 4.610 50 0 HJAARN COc1ccc(NC(=O)CSc2c3ccccc3nc3c2CCCC3)c(OC)c1 ZINC000004922089 559206980 /nfs/dbraw/zinc/20/69/80/559206980.db2.gz DRIQFJRYNBHOPR-UHFFFAOYSA-N 0 0 408.523 4.862 50 0 HJAARN COCCCNC(=O)CSc1nc(-c2ccccc2)[nH]c1-c1ccc(Cl)cc1 ZINC000004927885 559208227 /nfs/dbraw/zinc/20/82/27/559208227.db2.gz YKYYHDUXFZDXKX-UHFFFAOYSA-N 0 0 415.946 4.642 50 0 HJAARN COc1ccc(-c2cn3c(C)c(C(=O)N4CCc5ccccc5C4)sc3n2)cc1 ZINC000004930961 559209689 /nfs/dbraw/zinc/20/96/89/559209689.db2.gz RDLYKUKZVMAHAX-UHFFFAOYSA-N 0 0 403.507 4.578 50 0 HJAARN Fc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 ZINC000004931880 559209795 /nfs/dbraw/zinc/20/97/95/559209795.db2.gz NNYPZDZNCUZTQH-YKSBVNFPSA-N 0 0 402.425 4.839 50 0 HJAARN COc1cccc(NC(=O)CCc2c(C)nc3cc(-c4ccccc4)nn3c2C)c1 ZINC000004935300 559210245 /nfs/dbraw/zinc/21/02/45/559210245.db2.gz BFQZCSGSAQHRSX-UHFFFAOYSA-N 0 0 400.482 4.593 50 0 HJAARN Cc1nn2c(nc(C)c(CCC(=O)NCc3ccc(F)cc3)c2C)c1-c1ccccc1 ZINC000004935808 559210639 /nfs/dbraw/zinc/21/06/39/559210639.db2.gz XLTFXEWZNARBKU-UHFFFAOYSA-N 0 0 416.500 4.710 50 0 HJAARN COc1cccc2cc(S(=O)(=O)c3ccccc3)/c(=N/c3ccc(F)cc3)oc21 ZINC000004937807 559211149 /nfs/dbraw/zinc/21/11/49/559211149.db2.gz RWVWYDJCSNAIMX-GYHWCHFESA-N 0 0 409.438 4.646 50 0 HJAARN COc1ccc(C(=O)c2cn(Cc3ccc(C)cc3)c3ccc(F)cc3c2=O)cc1 ZINC000004937017 559212093 /nfs/dbraw/zinc/21/20/93/559212093.db2.gz FISLNNHTHLCMLH-UHFFFAOYSA-N 0 0 401.437 4.737 50 0 HJAARN Cc1ccc(Cn2cc(C(=O)c3ccc4c(c3)OCO4)c(=O)c3cc(C)ccc32)cc1 ZINC000004937035 559212115 /nfs/dbraw/zinc/21/21/15/559212115.db2.gz SBMQNKDKZPJNJY-UHFFFAOYSA-N 0 0 411.457 4.626 50 0 aggregator HJAARN COCCCN(Cc1ccco1)C(=O)c1cc2c(s1)c1cc(C)ccc1oc2=O ZINC000004939835 559212384 /nfs/dbraw/zinc/21/23/84/559212384.db2.gz PBTKPLSWKSOJSJ-UHFFFAOYSA-N 0 0 411.479 4.588 50 0 HJAARN COc1ccc(CNC(=O)c2ccc3c(c2)nc2c(c3Cl)CCCC2)c(OC)c1 ZINC000004958580 559216288 /nfs/dbraw/zinc/21/62/88/559216288.db2.gz PZKUISNCGKMJCA-UHFFFAOYSA-N 0 0 410.901 4.714 50 0 HJAARN COc1ccc(OC)c(CCNC(=O)c2ccc3c(c2)nc2c(c3Cl)CCCC2)c1 ZINC000004958680 559216392 /nfs/dbraw/zinc/21/63/92/559216392.db2.gz NSGHRGSIZKMAOL-UHFFFAOYSA-N 0 0 424.928 4.757 50 0 HJAARN CCCc1cc(=O)oc2cc(OCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c(Cl)cc12 ZINC000004986101 559224000 /nfs/dbraw/zinc/22/40/00/559224000.db2.gz XJDWDPHHRQPYNA-SUNYJGFJSA-N 0 0 405.922 4.719 50 0 HJAARN Cc1nc2c(cc1C(=O)/C=C/c1ccc(I)cc1)CCCC2 ZINC000004990379 559224643 /nfs/dbraw/zinc/22/46/43/559224643.db2.gz HAHHEDRLYNUKHP-DHZHZOJOSA-N 0 0 403.263 4.770 50 0 HJAARN O=C1Nc2ccc(Cl)cc2[C@@]12Oc1ccccc1[C@@H]1CC(c3cccs3)=NN12 ZINC000005010023 559227875 /nfs/dbraw/zinc/22/78/75/559227875.db2.gz MQKRRQAAPHNTSO-LAUBAEHRSA-N 0 0 407.882 4.750 50 0 HJAARN COc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccccc3F)C2)cc1OC ZINC000005022174 559229402 /nfs/dbraw/zinc/22/94/02/559229402.db2.gz JGFBOUOWLVDPQC-GOSISDBHSA-N 0 0 410.470 4.896 50 0 HJAARN CCCCC(C(=O)OCC)(C(=O)OCC)[C@@H](C)CC(=O)Nc1ccccc1Cl ZINC000005024970 559229976 /nfs/dbraw/zinc/22/99/76/559229976.db2.gz QTUKCULTLKOMAM-HNNXBMFYSA-N 0 0 411.926 4.608 50 0 HJAARN CCCCC(C(=O)OCC)(C(=O)OCC)[C@H](C)CC(=O)Nc1ccccc1Cl ZINC000005024971 559230010 /nfs/dbraw/zinc/23/00/10/559230010.db2.gz QTUKCULTLKOMAM-OAHLLOKOSA-N 0 0 411.926 4.608 50 0 HJAARN Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1Cc1ccc(F)cc1 ZINC000005047467 559236936 /nfs/dbraw/zinc/23/69/36/559236936.db2.gz CESBVKISJGINIC-UHFFFAOYSA-N 0 0 418.472 4.844 50 0 HJAARN COc1ccccc1NC(=O)CN1c2ccccc2S[C@@H](c2ccccc2)CC1=O ZINC000005053020 559237223 /nfs/dbraw/zinc/23/72/23/559237223.db2.gz YCVXMDGUWSPBNJ-JOCHJYFZSA-N 0 0 418.518 4.904 50 0 HJAARN CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1 ZINC000005055091 559237518 /nfs/dbraw/zinc/23/75/18/559237518.db2.gz SZKPUQWAOYWNHS-UHFFFAOYSA-N 0 0 413.886 4.685 50 0 HJAARN Cc1oc(-c2ccc(Cl)cc2)nc1C[S@](=O)CC(=O)NCCC1=CCCCC1 ZINC000005058110 559238331 /nfs/dbraw/zinc/23/83/31/559238331.db2.gz VFPXJKAAPKDUTG-MUUNZHRXSA-N 0 0 420.962 4.559 50 0 HJAARN Cc1ccc(N(C(=O)C23CC4CC(CC(C4)C2)C3)[C@@H]2C=CS(=O)(=O)C2)cc1Cl ZINC000005070751 559241281 /nfs/dbraw/zinc/24/12/81/559241281.db2.gz AGDWJPYOYHRSMR-PQGQHUGISA-N 0 0 419.974 4.509 50 0 HJAARN O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1ccccc1N1CCCC1 ZINC000005089942 559243309 /nfs/dbraw/zinc/24/33/09/559243309.db2.gz XEBRZIKCLJAXBN-UHFFFAOYSA-N 0 0 400.478 4.535 50 0 HJAARN 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Cc1ccc(/C=C2\SC(=O)N(CNc3ccccc3Br)C2=O)cc1 ZINC000005337302 560567051 /nfs/dbraw/zinc/56/70/51/560567051.db2.gz XERAEZQPLHJZJB-YBEGLDIGSA-N 0 0 403.301 4.863 50 0 HJAARN Cc1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)n(-c2nc3ccccc3[nH]2)n1 ZINC000005343501 560568237 /nfs/dbraw/zinc/56/82/37/560568237.db2.gz VVEXIIRIPWBAOX-UHFFFAOYSA-N 0 0 403.461 4.647 50 0 HJAARN O=C(Nc1sc2ccccc2c(=O)c1-c1ccc2c(c1)OCO2)c1cccs1 ZINC000005321973 560568285 /nfs/dbraw/zinc/56/82/85/560568285.db2.gz VXFGBAHIAAOSFF-UHFFFAOYSA-N 0 0 407.472 4.971 50 0 HJAARN COc1ccc(CCNc2c(C)c(C)nc3c(-c4ccccc4)cnn32)cc1OC ZINC000005322173 560568405 /nfs/dbraw/zinc/56/84/05/560568405.db2.gz WXGYEIFVGYEJQS-UHFFFAOYSA-N 0 0 402.498 4.685 50 0 HJAARN Cc1cc(C(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)c(C)n1C1CC1 ZINC000005359549 560571518 /nfs/dbraw/zinc/57/15/18/560571518.db2.gz KVDDTEIKDQPXDZ-UHFFFAOYSA-N 0 0 401.677 4.835 50 0 HJAARN O=C(C[S@](=O)c1ccccc1Cl)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000005368666 560572571 /nfs/dbraw/zinc/57/25/71/560572571.db2.gz 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C[C@@H](OC(=O)c1[nH]c2ccccc2c1Cl)C(=O)Nc1ccc(Br)cc1 ZINC000046767464 560871936 /nfs/dbraw/zinc/87/19/36/560871936.db2.gz QOWROGTVCIENOW-SNVBAGLBSA-N 0 0 421.678 4.768 50 0 HJAARN O=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000014861928 560875662 /nfs/dbraw/zinc/87/56/62/560875662.db2.gz UVWGSULBTKPPCK-UHFFFAOYSA-N 0 0 412.449 4.557 50 0 HJAARN CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1C ZINC000014862059 560875701 /nfs/dbraw/zinc/87/57/01/560875701.db2.gz PAUFGBGRBLWQTN-UHFFFAOYSA-N 0 0 402.454 4.604 50 0 HJAARN O=C(Nc1cccs1)N1CCn2cccc2[C@H]1c1ccc(Br)cc1 ZINC000004854389 560877272 /nfs/dbraw/zinc/87/72/72/560877272.db2.gz OWLKRMVWMCRSBW-QGZVFWFLSA-N 0 0 402.317 4.949 50 0 HJAARN COP(=O)(OC)c1nc(/C=C/c2ccccc2)oc1NCc1ccc(F)cc1 ZINC000012062711 560888117 /nfs/dbraw/zinc/88/81/17/560888117.db2.gz JGXBADIWAQYAPT-JLHYYAGUSA-N 0 0 402.362 4.707 50 0 HJAARN Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)N2CCCCCC2)cc1 ZINC000012062337 560888317 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CCc1cc(OCC(=O)Nc2ccccc2F)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000046017114 568423731 /nfs/dbraw/zinc/42/37/31/568423731.db2.gz QMMRJMPVMQZVQQ-UHFFFAOYSA-N 0 0 418.472 4.756 50 0 HJAARN COc1ccc(-c2noc(-c3ccc(NC(=O)c4cccc(OC)c4)cc3)n2)cc1 ZINC000046018755 568423884 /nfs/dbraw/zinc/42/38/84/568423884.db2.gz YYTUKZVZOWGPFM-UHFFFAOYSA-N 0 0 401.422 4.673 50 0 HJAARN CCOc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000046043901 568424887 /nfs/dbraw/zinc/42/48/87/568424887.db2.gz XKBOWFBFUSFCBF-INIZCTEOSA-N 0 0 420.431 4.595 50 0 HJAARN Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(C(=O)Cc3cccc4ccccc43)C2)c1 ZINC000046045186 568425047 /nfs/dbraw/zinc/42/50/47/568425047.db2.gz HWECWSXTXSSTQH-JOCHJYFZSA-N 0 0 400.522 4.876 50 0 HJAARN Cc1cc(C)cc(NC(=O)[C@H]2CCCN(C(=O)Cc3cccc4ccccc43)C2)c1 ZINC000046045189 568425058 /nfs/dbraw/zinc/42/50/58/568425058.db2.gz HWECWSXTXSSTQH-QFIPXVFZSA-N 0 0 400.522 4.876 50 0 HJAARN Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)Cc3cccc4ccccc43)C2)c1C ZINC000046045056 568425076 /nfs/dbraw/zinc/42/50/76/568425076.db2.gz JOHBSKSRHKWTQA-QFIPXVFZSA-N 0 0 400.522 4.876 50 0 HJAARN O=C(Cc1cccc2ccccc21)N1CCC[C@H](C(=O)Nc2ccc(F)cc2F)C1 ZINC000046045048 568425084 /nfs/dbraw/zinc/42/50/84/568425084.db2.gz KLYKWVUHJMXLIP-SFHVURJKSA-N 0 0 408.448 4.538 50 0 HJAARN O=C(Cc1cccc2ccccc21)N1CCC[C@@H](C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000046045253 568425185 /nfs/dbraw/zinc/42/51/85/568425185.db2.gz IJCFLINTPILYNG-GOSISDBHSA-N 0 0 408.448 4.538 50 0 HJAARN Cc1cc(C)cc(-n2ccn3c(SCc4c(F)cccc4Cl)nnc3c2=O)c1 ZINC000046047207 568425731 /nfs/dbraw/zinc/42/57/31/568425731.db2.gz MBBZWEIYEAKZIF-UHFFFAOYSA-N 0 0 414.893 4.582 50 0 HJAARN CCCOc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)cc1 ZINC000046056654 568425882 /nfs/dbraw/zinc/42/58/82/568425882.db2.gz HWTWWRQPMYGOCI-IBGZPJMESA-N 0 0 423.900 4.932 50 0 HJAARN CCOc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2cccc(Cl)c2C)cc1 ZINC000046056618 568425884 /nfs/dbraw/zinc/42/58/84/568425884.db2.gz SJAQPGRZGAPNLA-KRWDZBQOSA-N 0 0 423.900 4.850 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)c1cc2cc(N(C)S(C)(=O)=O)ccc2s1 ZINC000046058041 568426344 /nfs/dbraw/zinc/42/63/44/568426344.db2.gz OQNRXWVYGPLUBG-UHFFFAOYSA-N 0 0 408.932 4.511 50 0 HJAARN CCS(=O)(=O)N(C)c1ccc2sc(C(=O)Nc3ccc(Cl)cc3)cc2c1 ZINC000046058366 568426465 /nfs/dbraw/zinc/42/64/65/568426465.db2.gz DAQRBQGRPPANOC-UHFFFAOYSA-N 0 0 408.932 4.593 50 0 HJAARN COc1ccc(-c2csc3c2NC(=O)C[C@@H]3c2cc(OC)c(O)c(OC)c2)cc1 ZINC000046076279 568427164 /nfs/dbraw/zinc/42/71/64/568427164.db2.gz YGEBMHRRDQZFPF-OAHLLOKOSA-N 0 0 411.479 4.621 50 0 HJAARN Cc1ccc2c(c1)NC(=O)c1cc(S(=O)(=O)N3CCCCCC3)c(Cl)cc1O2 ZINC000046077506 568427344 /nfs/dbraw/zinc/42/73/44/568427344.db2.gz LQDQFSFIQRCIPF-UHFFFAOYSA-N 0 0 420.918 4.571 50 0 HJAARN O=C(NCc1ccccc1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000046078856 568427559 /nfs/dbraw/zinc/42/75/59/568427559.db2.gz LDCLHBPCDYZPQQ-UHFFFAOYSA-N 0 0 404.897 4.863 50 0 HJAARN CCC(CC)C(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3cccc(Cl)c3)s2)C1 ZINC000046123411 568428387 /nfs/dbraw/zinc/42/83/87/568428387.db2.gz YQRGJKTYALVWKX-CQSZACIVSA-N 0 0 420.966 4.586 50 0 HJAARN CCOc1ccc(C(=O)CCC(=O)N[C@@H](c2nc(-c3ccccc3)no2)C(C)C)cc1 ZINC000048290854 568435166 /nfs/dbraw/zinc/43/51/66/568435166.db2.gz SYLFQICUQFYPKQ-JOCHJYFZSA-N 0 0 421.497 4.612 50 0 HJAARN COc1ccc([C@@H](NC(=O)c2cc(C)nc3c2c(C)nn3C(C)(C)C)C2CC2)cc1 ZINC000048290839 568435189 /nfs/dbraw/zinc/43/51/89/568435189.db2.gz PEVQRRPVVWVBNN-NRFANRHFSA-N 0 0 406.530 4.693 50 0 HJAARN COc1ccc([C@H](NC(=O)c2cc(C)nc3c2c(C)nn3C(C)(C)C)C2CC2)cc1 ZINC000048290838 568435237 /nfs/dbraw/zinc/43/52/37/568435237.db2.gz PEVQRRPVVWVBNN-OAQYLSRUSA-N 0 0 406.530 4.693 50 0 HJAARN O=C(Nc1ccccc1Br)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364523 568438095 /nfs/dbraw/zinc/43/80/95/568438095.db2.gz IXSXRPUSWOOGKU-HNNXBMFYSA-N 0 0 409.283 4.608 50 0 HJAARN O=C(NC[C@@H](c1cccs1)N1CCOCC1)Nc1ccccc1Cc1ccccc1 ZINC000048324316 568438224 /nfs/dbraw/zinc/43/82/24/568438224.db2.gz RECBUYCWZMGVHO-QFIPXVFZSA-N 0 0 421.566 4.534 50 0 HJAARN COc1cc(OC)c(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1Cl ZINC000051364578 568438268 /nfs/dbraw/zinc/43/82/68/568438268.db2.gz GOTVLSXXVFIWGO-HNNXBMFYSA-N 0 0 424.884 4.516 50 0 HJAARN O=C(NC[C@H](c1cccs1)N1CCOCC1)Nc1ccccc1Cc1ccccc1 ZINC000048324317 568438277 /nfs/dbraw/zinc/43/82/77/568438277.db2.gz RECBUYCWZMGVHO-JOCHJYFZSA-N 0 0 421.566 4.534 50 0 HJAARN Cc1nc(-c2cccc(NC(=O)N(Cc3cccnc3)C[C@H]3CCCO3)c2)cs1 ZINC000048325804 568438856 /nfs/dbraw/zinc/43/88/56/568438856.db2.gz NDEOCEOUBKLGFT-HXUWFJFHSA-N 0 0 408.527 4.727 50 0 HJAARN Cc1ccc(-c2noc(C3CCN(CC(=O)Nc4ccccc4Cl)CC3)n2)cc1 ZINC000049403292 568448237 /nfs/dbraw/zinc/44/82/37/568448237.db2.gz RYLOOVVLLANPSP-UHFFFAOYSA-N 0 0 410.905 4.517 50 0 HJAARN Cc1ccc(NC(=O)CSc2ccc(-c3nc(C4CC4)no3)cn2)cc1Cl ZINC000049405583 568448698 /nfs/dbraw/zinc/44/86/98/568448698.db2.gz SGWXZJQYBQUESN-UHFFFAOYSA-N 0 0 400.891 4.702 50 0 HJAARN Cc1ccc(NC(=O)CSc2cc(-c3nc(C4CC4)no3)ccn2)c(Cl)c1 ZINC000049405458 568448724 /nfs/dbraw/zinc/44/87/24/568448724.db2.gz RRASVOSHEJMGKD-UHFFFAOYSA-N 0 0 400.891 4.702 50 0 HJAARN O=C(Nc1ccccc1)c1cn(Cc2ccc(NC(=O)c3ccccc3F)cc2)cn1 ZINC000049422247 568450845 /nfs/dbraw/zinc/45/08/45/568450845.db2.gz NIGKCUUXWPHHMK-UHFFFAOYSA-N 0 0 414.440 4.575 50 0 HJAARN Cn1c(=O)sc2c1N(c1cccc(OC(F)(F)F)c1)C(=O)C[C@@H]2c1ccccc1 ZINC000049550112 568451849 /nfs/dbraw/zinc/45/18/49/568451849.db2.gz IQEYPSJBNKETJI-OAHLLOKOSA-N 0 0 420.412 4.546 50 0 HJAARN C[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000049581378 568452811 /nfs/dbraw/zinc/45/28/11/568452811.db2.gz AFJYENDFSFYNKZ-IEBWSBKVSA-N 0 0 418.562 4.899 50 0 HJAARN C[C@H](Sc1n[nH]c(C=Cc2ccc(F)cc2)n1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000014898027 568453293 /nfs/dbraw/zinc/45/32/93/568453293.db2.gz QWNHZPDRDUQCDV-GMMCIKNFSA-N 0 0 408.502 4.722 50 0 HJAARN CCc1cc2c(cc1O[C@@H](C)C(=O)OC)oc(C)c(-c1nc3ccccc3s1)c2=O ZINC000000634093 568456526 /nfs/dbraw/zinc/45/65/26/568456526.db2.gz RIWQFMQBPNPOGZ-ZDUSSCGKSA-N 0 0 423.490 4.881 50 0 HJAARN COc1ccccc1C(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)c(C)c1 ZINC000000643665 568457054 /nfs/dbraw/zinc/45/70/54/568457054.db2.gz SVKIQDQLPRLHMX-UHFFFAOYSA-N 0 0 420.852 4.710 50 0 HJAARN CC(C)OC(=O)c1c2c(sc1NC(=O)c1ccnn1C)C[C@H](c1ccccc1)CC2 ZINC000000648092 568457588 /nfs/dbraw/zinc/45/75/88/568457588.db2.gz KUVHMFKQZIUVPW-MRXNPFEDSA-N 0 0 423.538 4.572 50 0 HJAARN CCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)[C@H](CC)c2ccccc2)C2CC2)c1 ZINC000006722168 568458053 /nfs/dbraw/zinc/45/80/53/568458053.db2.gz SYQDZYJKFQTKGE-JOCHJYFZSA-N 0 0 407.558 4.786 50 0 HJAARN O=C(Nc1cccnc1)c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1 ZINC000000655255 568459465 /nfs/dbraw/zinc/45/94/65/568459465.db2.gz SMGCQVYFBZDNDN-UHFFFAOYSA-N 0 0 423.807 4.777 50 0 HJAARN CCOc1ccc([C@@H]2CCCN2C(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)cc1 ZINC000024767523 568461873 /nfs/dbraw/zinc/46/18/73/568461873.db2.gz ZGIYDCYBUVYRAX-PXNSSMCTSA-N 0 0 407.510 4.826 50 0 HJAARN Cc1ccc2c(c1)c1c(c(=O)n(-c3cccc(C)c3)c(=O)n1Cc1cccc(C)c1)n2C ZINC000006900359 568463383 /nfs/dbraw/zinc/46/33/83/568463383.db2.gz WQROBXYHKIKUQA-UHFFFAOYSA-N 0 0 423.516 4.618 50 0 HJAARN Cc1cc(N2CCSCC2)ccc1NC(=O)N(C)Cc1nc2ccccc2s1 ZINC000051673423 568469954 /nfs/dbraw/zinc/46/99/54/568469954.db2.gz UQTQPGKJAOPTEN-UHFFFAOYSA-N 0 0 412.584 4.822 50 0 HJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)C1=C(c2ccccc2)SCCO1 ZINC000012321949 568470801 /nfs/dbraw/zinc/47/08/01/568470801.db2.gz YORXJRSNWYJKCI-UHFFFAOYSA-N 0 0 403.525 4.612 50 0 HJAARN O=S(=O)(c1ccc(Cl)cc1)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 ZINC000000752067 568470890 /nfs/dbraw/zinc/47/08/90/568470890.db2.gz VTCUMTFSANBUDK-UHFFFAOYSA-N 0 0 419.351 4.511 50 0 HJAARN CN1C(=O)N(c2ccccc2)[C@@H](NC(=O)Nc2ccc(Cl)c(Cl)c2)C1(C)C ZINC000000751751 568470989 /nfs/dbraw/zinc/47/09/89/568470989.db2.gz KFLQDCPCFIVCKW-MRXNPFEDSA-N 0 0 407.301 4.792 50 0 HJAARN CC(C)c1nc2oc3c(ncn(CCc4ccccc4)c3=O)c2c2c1COC(C)(C)C2 ZINC000012322407 568471405 /nfs/dbraw/zinc/47/14/05/568471405.db2.gz FJIFKLOTHZSMGL-UHFFFAOYSA-N 0 0 417.509 4.755 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1C ZINC000000786990 568476698 /nfs/dbraw/zinc/47/66/98/568476698.db2.gz UASHRQVUSLYMTO-UHFFFAOYSA-N 0 0 404.495 4.915 50 0 HJAARN COc1cc2c(cc1OC)CN([C@@H](C)C(=O)Nc1ccccc1-c1ccccc1)CC2 ZINC000007418444 568479877 /nfs/dbraw/zinc/47/98/77/568479877.db2.gz JEJWTGLIXKBRMN-SFHVURJKSA-N 0 0 416.521 4.756 50 0 HJAARN O=C(Nc1cccc(Cl)c1)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000000793725 568480561 /nfs/dbraw/zinc/48/05/61/568480561.db2.gz GMDXXJNIHRYAOB-UHFFFAOYSA-N 0 0 423.807 4.777 50 0 HJAARN Cc1cc(C)cc(NC(=O)c2c(N)c(C(=O)c3ccc(F)cc3)n3ccccc23)c1 ZINC000012342032 568484171 /nfs/dbraw/zinc/48/41/71/568484171.db2.gz WXOGOZWKVJBSAC-UHFFFAOYSA-N 0 0 401.441 4.761 50 0 HJAARN COc1ccc([C@@H]2CCCN2C(=O)CCc2ncc(-c3ccccc3F)o2)c(OC)c1 ZINC000022386439 568484473 /nfs/dbraw/zinc/48/44/73/568484473.db2.gz WAGLHEZOPZECES-FQEVSTJZSA-N 0 0 424.472 4.794 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-n2cnc3ccccc3c2=O)cc1 ZINC000007786533 568484871 /nfs/dbraw/zinc/48/48/71/568484871.db2.gz UHIVODALFLXXFN-UHFFFAOYSA-N 0 0 409.367 4.657 50 0 HJAARN O=C([C@H](Sc1nnc(NC2CCCCC2)s1)c1ccccc1)N1CCCC1 ZINC000022357405 568484910 /nfs/dbraw/zinc/48/49/10/568484910.db2.gz NTGLDVPJGTXUBB-QGZVFWFLSA-N 0 0 402.589 4.739 50 0 HJAARN O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)c1ccc(O)cc1 ZINC000007822921 568485294 /nfs/dbraw/zinc/48/52/94/568485294.db2.gz IXQIBWDWWQNFLV-UHFFFAOYSA-N 0 0 415.902 4.526 50 0 HJAARN COc1cc(CN[C@H](C)c2ccccc2Br)cc(OC)c1OC(F)F ZINC000022777792 568499488 /nfs/dbraw/zinc/49/94/88/568499488.db2.gz QNBVUDQYBYYCEX-LLVKDONJSA-N 0 0 416.262 4.919 50 0 HJAARN Cc1ccc(N(C)S(=O)(=O)c2ccccc2-c2nc(-c3ccccc3)no2)cc1C ZINC000033175590 568511761 /nfs/dbraw/zinc/51/17/61/568511761.db2.gz FXAFWFMGMVWTIW-UHFFFAOYSA-N 0 0 419.506 4.846 50 0 HJAARN Cc1ccc(CNc2ccc3cc(S(=O)(=O)N4CCC(C)CC4)ccc3n2)cc1 ZINC000033250479 568511971 /nfs/dbraw/zinc/51/19/71/568511971.db2.gz HRIRKULEEDRQIM-UHFFFAOYSA-N 0 0 409.555 4.576 50 0 HJAARN Cn1c(CCc2cccc(NC(=O)CCc3nc4ccccc4[nH]3)c2)nc2ccccc21 ZINC000033261466 568512998 /nfs/dbraw/zinc/51/29/98/568512998.db2.gz VZKNARBXGJNHQB-UHFFFAOYSA-N 0 0 423.520 4.806 50 0 HJAARN Cc1ccc(CNC(=O)Cn2ccc3c2ccnc3SCc2ccc(F)cc2)o1 ZINC000033298584 568513165 /nfs/dbraw/zinc/51/31/65/568513165.db2.gz KQDNQLDGWLGZCY-UHFFFAOYSA-N 0 0 409.486 4.686 50 0 HJAARN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1 ZINC000000835061 568513198 /nfs/dbraw/zinc/51/31/98/568513198.db2.gz IXDPWPPYOXAZKB-UHFFFAOYSA-N 0 0 414.914 4.559 50 0 HJAARN Cc1csc(-c2cc(S(=O)(=O)NCCc3ccc(Cl)cc3)c(C)s2)n1 ZINC000033289950 568513619 /nfs/dbraw/zinc/51/36/19/568513619.db2.gz DDXNVXCPWYOMJS-UHFFFAOYSA-N 0 0 412.989 4.663 50 0 HJAARN COc1ccccc1NC(=O)COc1ccccc1-c1noc(-c2ccccc2C)n1 ZINC000033325072 568513938 /nfs/dbraw/zinc/51/39/38/568513938.db2.gz QEZWSBAWDLGVDJ-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN CCOc1ccc([C@H]2CCCN2C(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)cc1 ZINC000024767530 568514056 /nfs/dbraw/zinc/51/40/56/568514056.db2.gz ZGIYDCYBUVYRAX-FXAWDEMLSA-N 0 0 407.510 4.826 50 0 HJAARN CCOP(=O)(OCC)[C@H](NC(=O)/C=C\c1ccc(OC)cc1)c1ccccc1 ZINC000033413436 568514472 /nfs/dbraw/zinc/51/44/72/568514472.db2.gz PHPIHWTXCCRADC-XHVGKJTDSA-N 0 0 403.415 4.790 50 0 HJAARN CCC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl ZINC000024977898 568517417 /nfs/dbraw/zinc/51/74/17/568517417.db2.gz CWBRFSASRUHUSM-AUUYWEPGSA-N 0 0 407.341 4.639 50 0 HJAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)/C=C\c2ccc(C)cc2)cc1 ZINC000033785995 568521716 /nfs/dbraw/zinc/52/17/16/568521716.db2.gz XVWUWHAWDCFWQC-NRFGWYQLSA-N 0 0 412.555 4.600 50 0 HJAARN CCOc1cccc2s/c(=N/C(=O)c3ccc(Br)cc3)n(CC)c21 ZINC000012378113 568552602 /nfs/dbraw/zinc/55/26/02/568552602.db2.gz IKSYIXFDLONKTR-CZIZESTLSA-N 0 0 405.317 4.625 50 0 HJAARN COc1ccc([C@@H]2[C@H](C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c3ccccc3C(=O)N2C)cc1 ZINC000020108948 568588478 /nfs/dbraw/zinc/58/84/78/568588478.db2.gz OQKNHPMJPWATPX-ABDQBIQWSA-N 0 0 420.553 4.547 50 0 HJAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1c(-c2ccccc2)nc2ncccn21 ZINC000606422325 568590618 /nfs/dbraw/zinc/59/06/18/568590618.db2.gz NNFNPSILGQTUIO-ZFWWWQNUSA-N 0 0 401.297 4.926 50 0 HJAARN O=S(=O)(N[C@@H](c1ccsc1)c1cccs1)c1ccccc1Br ZINC000390826890 568591223 /nfs/dbraw/zinc/59/12/23/568591223.db2.gz QPJVQHZJWHYMLF-HNNXBMFYSA-N 0 0 414.371 4.640 50 0 HJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NC1(c2cccs2)CCOCC1 ZINC000390827524 568591391 /nfs/dbraw/zinc/59/13/91/568591391.db2.gz HGZJFWGLCLGWGD-UHFFFAOYSA-N 0 0 402.903 4.801 50 0 HJAARN CC(C)(C)SC[C@H]1CCCCN1C(=O)[C@@H]1CCCN1c1nc2ccccc2o1 ZINC000390829057 568591756 /nfs/dbraw/zinc/59/17/56/568591756.db2.gz CONGLJXIRUOSQB-AEFFLSMTSA-N 0 0 401.576 4.709 50 0 HJAARN Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(F)cc2)N2CCOCC2)c1C ZINC000020192418 568593666 /nfs/dbraw/zinc/59/36/66/568593666.db2.gz VOERIMOXOGHAAZ-FQEVSTJZSA-N 0 0 414.502 4.771 50 0 HJAARN CC[C@H](C)NC(=O)[C@H](C)[C@@H]1Sc2ccccc2N(Cc2cc(C)ccc2C)C1=O ZINC000020237563 568595600 /nfs/dbraw/zinc/59/56/00/568595600.db2.gz FFNLTCKLVOJFIY-SVMVAKDDSA-N 0 0 410.583 4.862 50 0 HJAARN CC(C)(C)C1=NN(S(=O)(=O)c2ccccc2)[C@H](c2cccc(Br)c2)C1 ZINC000095116629 568596071 /nfs/dbraw/zinc/59/60/71/568596071.db2.gz VIMOHKNKFMNIAI-KRWDZBQOSA-N 0 0 421.360 4.987 50 0 HJAARN CCOC(=O)c1c(C)oc2c1c1c(c3ccccc23)OCN(CCCn2ccnc2)C1 ZINC000095351686 568601029 /nfs/dbraw/zinc/60/10/29/568601029.db2.gz UQZJCPHVXGCGQM-UHFFFAOYSA-N 0 0 419.481 4.510 50 0 HJAARN CCc1ccc2c(CNc3ccc(N4C[C@@H](C)O[C@H](C)C4)c(F)c3)cc(=O)oc2c1 ZINC000095364980 568602133 /nfs/dbraw/zinc/60/21/33/568602133.db2.gz JXGOCZNXWMNTOX-HZPDHXFCSA-N 0 0 410.489 4.720 50 0 HJAARN CC1CCN(c2c3cc(Cl)ccc3ncc2S(=O)(=O)c2ccccc2)CC1 ZINC000020381086 568602591 /nfs/dbraw/zinc/60/25/91/568602591.db2.gz VAZBORYVAASCGQ-UHFFFAOYSA-N 0 0 400.931 4.957 50 0 HJAARN CN(C)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)nc1 ZINC000095385790 568603690 /nfs/dbraw/zinc/60/36/90/568603690.db2.gz ZPJWFVFQAMJOEY-UHFFFAOYSA-N 0 0 402.429 4.861 50 0 HJAARN Cc1ccc(C2=NN(C(=O)CN(Cc3cccnc3)C(C)C)[C@@H](c3ccco3)C2)cc1 ZINC000095446674 568612071 /nfs/dbraw/zinc/61/20/71/568612071.db2.gz OAKMMABSBYWIBY-HSZRJFAPSA-N 0 0 416.525 4.571 50 0 HJAARN Cc1c(C(=O)N2CCCCC2)oc2c1-c1nn(Cc3ccc(Cl)cc3)cc1CC2 ZINC000020490117 568614427 /nfs/dbraw/zinc/61/44/27/568614427.db2.gz DRKALPAZBRJGOU-UHFFFAOYSA-N 0 0 409.917 4.878 50 0 HJAARN Nc1cc(C(=O)OCc2csc(-c3ccc(Br)cc3)n2)cnc1Cl ZINC000095452617 568615447 /nfs/dbraw/zinc/61/54/47/568615447.db2.gz OHDDYDCCDCYVOC-UHFFFAOYSA-N 0 0 424.707 4.560 50 0 HJAARN COCCn1ccc2ccc(NC(=O)c3c(C)nn(-c4ccc(F)cc4F)c3C)cc21 ZINC000095458079 568618954 /nfs/dbraw/zinc/61/89/54/568618954.db2.gz JZINIMNZQGBPTO-UHFFFAOYSA-N 0 0 424.451 4.621 50 0 HJAARN Cc1nn(C)c(C)c1CC(=O)N[C@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000095458910 568619227 /nfs/dbraw/zinc/61/92/27/568619227.db2.gz LXGKBWUIUDEEBH-XLIONFOSSA-N 0 0 407.480 4.831 50 0 HJAARN Cc1ccsc1CCNC(=O)c1cc(C)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000020516808 568623688 /nfs/dbraw/zinc/62/36/88/568623688.db2.gz YEEPFGBHHYXKBA-UHFFFAOYSA-N 0 0 404.539 4.688 50 0 HJAARN Cc1cc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)c(C)n1CC(F)(F)F ZINC000095469757 568626006 /nfs/dbraw/zinc/62/60/06/568626006.db2.gz QZZTVAGGNNYJNM-UHFFFAOYSA-N 0 0 402.800 4.734 50 0 HJAARN COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1NC(=O)[C@H](C)c1ccccc1 ZINC000095470996 568626340 /nfs/dbraw/zinc/62/63/40/568626340.db2.gz NGYCXMLMLFCACX-QGZVFWFLSA-N 0 0 424.522 4.547 50 0 HJAARN COc1ccc(-c2noc(CN(C)C(=O)CCc3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000095471630 568626785 /nfs/dbraw/zinc/62/67/85/568626785.db2.gz JIRGSPCBBDWTJG-UHFFFAOYSA-N 0 0 407.514 4.634 50 0 HJAARN O=C(Nc1ccc(F)c(Cl)c1)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC000020531228 568627055 /nfs/dbraw/zinc/62/70/55/568627055.db2.gz JFRVZARLCYCJIC-NRFANRHFSA-N 0 0 408.860 4.685 50 0 HJAARN COc1cc([C@@H]2SCC(=O)Nc3ncn(-c4ccc(Cl)cc4)c32)ccc1O ZINC000095479198 568632219 /nfs/dbraw/zinc/63/22/19/568632219.db2.gz NNDXZJVXOALFCT-SFHVURJKSA-N 0 0 401.875 4.664 50 0 HJAARN Cc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)n2)c1 ZINC000095482276 568634233 /nfs/dbraw/zinc/63/42/33/568634233.db2.gz SRJJXWNAAZHKSE-MRXNPFEDSA-N 0 0 413.905 4.741 50 0 HJAARN CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000095482279 568634282 /nfs/dbraw/zinc/63/42/82/568634282.db2.gz ZBUPFOMLUDGOTJ-AWEZNQCLSA-N 0 0 419.934 4.884 50 0 HJAARN CCCCc1cc(=O)oc2c1ccc1c2CN(CCc2ccc(OC)c(OC)c2)CO1 ZINC000020610163 568636763 /nfs/dbraw/zinc/63/67/63/568636763.db2.gz KELXADFYBIKERR-UHFFFAOYSA-N 0 0 423.509 4.547 50 0 biogenic HJAARN O=C(COc1ccc(C2SCCCS2)cc1)N1CCC[C@@H]1c1ccccn1 ZINC000055520919 568637509 /nfs/dbraw/zinc/63/75/09/568637509.db2.gz VVOKAXZOXZWQBV-LJQANCHMSA-N 0 0 400.569 4.693 50 0 HJAARN COc1ccc(Br)cc1C1=N/C(=C\C(Cl)=C\c2ccccc2)C(=O)O1 ZINC000020615991 568638088 /nfs/dbraw/zinc/63/80/88/568638088.db2.gz LBTZUOXIJPPURX-NDNZGNGMSA-N 0 0 418.674 4.925 50 0 HJAARN COC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000020676755 568639754 /nfs/dbraw/zinc/63/97/54/568639754.db2.gz UGUNQNNZLMPHAH-HYARGMPZSA-N 0 0 403.409 4.579 50 0 HJAARN COc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)N2CCc3ccccc32)cc1 ZINC000020761395 568642354 /nfs/dbraw/zinc/64/23/54/568642354.db2.gz BEUVDHYPLKIOBA-UHFFFAOYSA-N 0 0 402.494 4.654 50 0 HJAARN O=C(N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1)c1ccc(Br)o1 ZINC000020854438 568645415 /nfs/dbraw/zinc/64/54/15/568645415.db2.gz ILXBAKMFFVQPBS-KRWDZBQOSA-N 0 0 424.254 4.612 50 0 HJAARN Clc1cccc(N2CCN(c3nnc(Cc4cccnc4)c4ccccc43)CC2)c1 ZINC000020859898 568645982 /nfs/dbraw/zinc/64/59/82/568645982.db2.gz NBHVIZDMCCMLJI-UHFFFAOYSA-N 0 0 415.928 4.596 50 0 HJAARN O=C(NCCc1ccccc1)c1cc(-c2cccs2)nn1Cc1ccc(F)cc1 ZINC000020864181 568646472 /nfs/dbraw/zinc/64/64/72/568646472.db2.gz TUHXGHVASJYKPG-UHFFFAOYSA-N 0 0 405.498 4.772 50 0 HJAARN CCc1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020889178 568647488 /nfs/dbraw/zinc/64/74/88/568647488.db2.gz OKQLNPQHCGHTAB-UHFFFAOYSA-N 0 0 420.534 4.561 50 0 HJAARN Cc1ccc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCC2)cc1C ZINC000020903052 568650389 /nfs/dbraw/zinc/65/03/89/568650389.db2.gz MGSVLSOZQRHOHO-SANMLTNESA-N 0 0 415.537 4.736 50 0 HJAARN O=c1c2cn(Cc3ccccc3F)c3ccc(F)cc3c-2nn1Cc1ccc(F)cc1 ZINC000020936838 568652433 /nfs/dbraw/zinc/65/24/33/568652433.db2.gz KFQBJZHTUUAMNQ-UHFFFAOYSA-N 0 0 419.406 4.817 50 0 HJAARN O=C(NC1CCCC1)C1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1 ZINC000020986239 568655121 /nfs/dbraw/zinc/65/51/21/568655121.db2.gz LDYQTFBVLOCLNG-UHFFFAOYSA-N 0 0 421.566 4.603 50 0 HJAARN COc1cc(NC(=O)NCc2cccn2Cc2c(C)cc(C)cc2C)cc(OC)c1 ZINC000020995833 568656723 /nfs/dbraw/zinc/65/67/23/568656723.db2.gz IDFRPMJMCCWVGL-UHFFFAOYSA-N 0 0 407.514 4.801 50 0 HJAARN Cc1csc(Sc2ccc(NC(=O)Cc3ccccc3[S@](C)=O)cc2)n1 ZINC000225615468 568657224 /nfs/dbraw/zinc/65/72/24/568657224.db2.gz UKRAMCSPQIRWKW-SANMLTNESA-N 0 0 402.566 4.521 50 0 HJAARN O=S(=O)(c1ccc(-c2cnc(C3CC3)o2)cc1)N1CC=C(c2ccccc2)CC1 ZINC000021033698 568659513 /nfs/dbraw/zinc/65/95/13/568659513.db2.gz XUTQFWWFZNRAMZ-UHFFFAOYSA-N 0 0 406.507 4.697 50 0 HJAARN COc1cc(CN2CCc3nc(Nc4ccc(F)cc4)ncc3C2)ccc1OC(C)C ZINC000021038990 568659911 /nfs/dbraw/zinc/65/99/11/568659911.db2.gz BYHMKEBFVDOEEA-UHFFFAOYSA-N 0 0 422.504 4.713 50 0 HJAARN CC(=O)N1N=C(c2cccs2)O[C@H]1c1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000021092842 568664563 /nfs/dbraw/zinc/66/45/63/568664563.db2.gz WIQVHHCOGFDLST-QFIPXVFZSA-N 0 0 405.479 4.548 50 0 HJAARN O=C(Nc1ccccc1F)N1CCCN(c2nc3cc(F)ccc3n3cccc23)CC1 ZINC000021104115 568666671 /nfs/dbraw/zinc/66/66/71/568666671.db2.gz OJXXXRYVCKADTM-UHFFFAOYSA-N 0 0 421.451 4.510 50 0 HJAARN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NCCc1c(F)cccc1F ZINC000095950721 568667469 /nfs/dbraw/zinc/66/74/69/568667469.db2.gz GDSKHEDZOBZRJL-UHFFFAOYSA-N 0 0 400.372 4.874 50 0 HJAARN Cc1oc(-c2ccccc2)nc1CSc1nc(=O)c2c(C)cc(C)nc2n1C1CC1 ZINC000021156572 568673882 /nfs/dbraw/zinc/67/38/82/568673882.db2.gz VBEZNKGFROBNCE-UHFFFAOYSA-N 0 0 418.522 4.999 50 0 HJAARN Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)NCCC(C)C)CC1 ZINC000021160198 568674464 /nfs/dbraw/zinc/67/44/64/568674464.db2.gz MCJFTVQPCILROD-UHFFFAOYSA-N 0 0 418.585 4.772 50 0 HJAARN CC(C)(c1ccccc1)[C@@H](OC(=O)c1ccc(N2CCOC2=O)cc1)C(F)(F)F ZINC000095983375 568675683 /nfs/dbraw/zinc/67/56/83/568675683.db2.gz QFNAHRHDZLMRFV-GOSISDBHSA-N 0 0 407.388 4.709 50 0 HJAARN CCOc1ccc(-c2noc(CSc3nnc(C)n3-c3ccc(C)cc3)n2)cc1 ZINC000021168998 568676196 /nfs/dbraw/zinc/67/61/96/568676196.db2.gz HYBUHAMHTYNNBL-UHFFFAOYSA-N 0 0 407.499 4.625 50 0 HJAARN CCOCCC1(CNC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)CCCC1 ZINC000095993261 568678041 /nfs/dbraw/zinc/67/80/41/568678041.db2.gz KBXHTJWOJXKONS-HXUWFJFHSA-N 0 0 401.595 4.596 50 0 HJAARN Clc1ccc(Cl)c(-c2csc(CN3CCN(Cc4cccnc4)CC3)n2)c1 ZINC000096003581 568681825 /nfs/dbraw/zinc/68/18/25/568681825.db2.gz ZXZCFXYNDVPOOB-UHFFFAOYSA-N 0 0 419.381 4.830 50 0 HJAARN O=C(COc1ccc(Cl)cc1Cl)NCc1nn(C2CCCC2)c2c1CCCC2 ZINC000096099233 568690160 /nfs/dbraw/zinc/69/01/60/568690160.db2.gz QXNFKOVVWDTYKZ-UHFFFAOYSA-N 0 0 422.356 4.879 50 0 HJAARN COc1cccc(CNC(=O)c2[nH]c3ccccc3c2NC(=O)c2ccc(C)cc2)c1 ZINC000021361526 568690289 /nfs/dbraw/zinc/69/02/89/568690289.db2.gz DURIYKQPZQZRCK-UHFFFAOYSA-N 0 0 413.477 4.667 50 0 HJAARN Cc1ccc2[nH]c(C(=O)NCCc3ccccc3)c(NC(=O)c3ccc(F)cc3)c2c1 ZINC000021361933 568690319 /nfs/dbraw/zinc/69/03/19/568690319.db2.gz AIUAKWFDJJLTQI-UHFFFAOYSA-N 0 0 415.468 4.840 50 0 HJAARN Cc1ccsc1CN(C[C@@H]1CCCO1)C(=O)C1=C(c2ccccc2)SCCO1 ZINC000012389420 568691375 /nfs/dbraw/zinc/69/13/75/568691375.db2.gz FOIVDMINPHKPLR-SFHVURJKSA-N 0 0 415.580 4.696 50 0 HJAARN O=c1c2ccc[nH]c-2c(Nc2cccc(Br)c2)n1Cc1ccc(F)cc1 ZINC000021104659 568694413 /nfs/dbraw/zinc/69/44/13/568694413.db2.gz PVWLRNIGCVVPGT-LJQANCHMSA-N 0 0 412.262 4.750 50 0 HJAARN Cc1c(C)n(C(C)C)c(NC(=O)c2cccs2)c1S(=O)(=O)c1ccc(F)cc1 ZINC000012391874 568695876 /nfs/dbraw/zinc/69/58/76/568695876.db2.gz OTNMQYJOAGKLEH-UHFFFAOYSA-N 0 0 420.531 4.972 50 0 HJAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc(F)c(Cl)c2)S1 ZINC000096118458 568698043 /nfs/dbraw/zinc/69/80/43/568698043.db2.gz NEYDNDXKHZZWSU-WBMJQRKESA-N 0 0 409.914 4.985 50 0 HJAARN CC(C)n1c2cnccc2nc1[C@@H]1CCN(C(=O)Nc2ccc(Cl)cc2F)C1 ZINC000096125317 568701397 /nfs/dbraw/zinc/70/13/97/568701397.db2.gz IPDGHNBFLKVWMA-CYBMUJFWSA-N 0 0 401.873 4.826 50 0 HJAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1oc2ccccc2c1C ZINC000007968214 568701573 /nfs/dbraw/zinc/70/15/73/568701573.db2.gz ZEIIBPIEPYEQLG-UHFFFAOYSA-N 0 0 404.388 4.861 50 0 HJAARN O=C(/C=C\c1ccc(-c2ccc(Br)cc2)s1)NCc1nccs1 ZINC000096179401 568702412 /nfs/dbraw/zinc/70/24/12/568702412.db2.gz DFFHFAALNDIVQN-VURMDHGXSA-N 0 0 405.342 4.964 50 0 HJAARN COc1ccc(C(=O)N2CCn3cccc3[C@@H]2c2ccc(F)cc2)cc1C(F)(F)F ZINC000096203740 568704133 /nfs/dbraw/zinc/70/41/33/568704133.db2.gz MRBTXRURHCEMBQ-FQEVSTJZSA-N 0 0 418.390 4.900 50 0 HJAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1C1CCCCCC1 ZINC000021527509 568709564 /nfs/dbraw/zinc/70/95/64/568709564.db2.gz DLTYKLPYWAFUBG-VWLOTQADSA-N 0 0 407.558 4.637 50 0 HJAARN CC(C)CCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021527587 568709660 /nfs/dbraw/zinc/70/96/60/568709660.db2.gz YZYBIVGBRQZDAD-RUZDIDTESA-N 0 0 409.574 4.741 50 0 HJAARN Cc1cccc(Nc2nc(Nc3cccc(C)c3)nc(Sc3nccn3C)n2)c1 ZINC000000847491 568710953 /nfs/dbraw/zinc/71/09/53/568710953.db2.gz UKHVJNBSLMMKII-UHFFFAOYSA-N 0 0 403.515 4.860 50 0 HJAARN Cc1ccccc1OCC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000000848356 568710986 /nfs/dbraw/zinc/71/09/86/568710986.db2.gz JTDJLNUBRJYKLR-UHFFFAOYSA-N 0 0 417.328 4.822 50 0 HJAARN CC(=O)Nc1cccc(NC(=O)CSc2nccn2-c2cccc(Cl)c2C)c1 ZINC000021533566 568711501 /nfs/dbraw/zinc/71/15/01/568711501.db2.gz GFPYVIINZXWRHR-UHFFFAOYSA-N 0 0 414.918 4.523 50 0 HJAARN Cc1cccc(C)c1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)o1 ZINC000000856416 568713232 /nfs/dbraw/zinc/71/32/32/568713232.db2.gz IYDJXRKTTKAHQA-UHFFFAOYSA-N 0 0 403.891 4.650 50 0 HJAARN O=C(Cn1nc(-c2ccc(F)cc2)c2cnc3ccc(F)cc3c21)NC1CCCCC1 ZINC000021541078 568713749 /nfs/dbraw/zinc/71/37/49/568713749.db2.gz HICSGAALGREZAJ-UHFFFAOYSA-N 0 0 420.463 4.979 50 0 HJAARN CC(=O)Nc1ccc2c(cc(C(=O)NCc3ccccc3)n2Cc2cccc(C)c2)c1 ZINC000096277663 568716152 /nfs/dbraw/zinc/71/61/52/568716152.db2.gz BHZSIRRDWSOWGU-UHFFFAOYSA-N 0 0 411.505 4.886 50 0 HJAARN COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cc(OC)ccc2OC)c1 ZINC000230125990 568716808 /nfs/dbraw/zinc/71/68/08/568716808.db2.gz YYLLTXNKPGOKJC-RDGATRHJSA-N 0 0 416.477 4.955 50 0 HJAARN Cc1oc(-c2ccccc2)nc1Cn1ccn2nc(-c3ccc(Cl)cc3)cc2c1=O ZINC000012414777 568717318 /nfs/dbraw/zinc/71/73/18/568717318.db2.gz KAZAVSPMPWIRCT-UHFFFAOYSA-N 0 0 416.868 4.828 50 0 HJAARN CC[C@@H](C)N(Cc1c(-c2ccccc2)nn(C)c1N(C)C)C(=O)c1ccc(OC)cc1 ZINC000096279534 568717560 /nfs/dbraw/zinc/71/75/60/568717560.db2.gz JVXXMYVSPRJERJ-GOSISDBHSA-N 0 0 420.557 4.603 50 0 HJAARN Cc1oc(-c2ccc(C)cc2)nc1COC(=O)c1nnn(-c2ccc(C)cc2)c1C ZINC000012415665 568717842 /nfs/dbraw/zinc/71/78/42/568717842.db2.gz FHYKNNRVMQPMDU-UHFFFAOYSA-N 0 0 402.454 4.513 50 0 HJAARN Cc1oc(-c2ccccc2)nc1COC(=O)c1nnn(-c2ccc(C)c(C)c2)c1C ZINC000012415839 568717891 /nfs/dbraw/zinc/71/78/91/568717891.db2.gz JPJWRLPKANMTEU-UHFFFAOYSA-N 0 0 402.454 4.513 50 0 HJAARN CCc1cccc2c([C@@H](CC(=O)N3CCN(CC)CC3)c3cc(C)ccc3F)c[nH]c21 ZINC000096290778 568720612 /nfs/dbraw/zinc/72/06/12/568720612.db2.gz NWOONMAUMIPJAJ-NRFANRHFSA-N 0 0 421.560 4.864 50 0 HJAARN COc1ccc(C(=O)N2N=C(c3cccs3)C[C@@H]2c2ccc3nccnc3c2)cc1 ZINC000012420942 568720777 /nfs/dbraw/zinc/72/07/77/568720777.db2.gz WORYWOJRTMHZMZ-OAQYLSRUSA-N 0 0 414.490 4.691 50 0 HJAARN CC(C)C(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1CCCC1)N2c1ccccc1 ZINC000096292588 568721109 /nfs/dbraw/zinc/72/11/09/568721109.db2.gz AJPONBSODLQBEF-UHFFFAOYSA-N 0 0 411.527 4.710 50 0 HJAARN COc1ccc(-c2noc(CCN(C(=O)CC(C)C)[C@@H](C)c3ccccc3)n2)cc1 ZINC000096293107 568721300 /nfs/dbraw/zinc/72/13/00/568721300.db2.gz ZZUDZKZQVWNLFD-SFHVURJKSA-N 0 0 407.514 4.924 50 0 HJAARN O=C(NCc1cccs1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 ZINC000000865673 568723036 /nfs/dbraw/zinc/72/30/36/568723036.db2.gz SQOWGZOEORXAOR-GOEBONIOSA-N 0 0 406.433 4.535 50 0 HJAARN Cc1ccc(O)c(NC(=O)c2cnn3c2N[C@H](c2cccs2)C[C@@H]3C(F)(F)F)c1 ZINC000000866502 568723605 /nfs/dbraw/zinc/72/36/05/568723605.db2.gz KCTYINFBWPAEHI-XJKSGUPXSA-N 0 0 422.432 4.871 50 0 HJAARN Cc1cc(NC(=O)C2CCCCC2)n(-c2nc(-c3ccc4c(c3)OCO4)cs2)n1 ZINC000012442315 568724609 /nfs/dbraw/zinc/72/46/09/568724609.db2.gz OWTANPRKKJUNHI-UHFFFAOYSA-N 0 0 410.499 4.552 50 0 HJAARN O=C(Cc1csc(SCC(=O)c2ccccc2)n1)NCCC1=CCCCC1 ZINC000012444136 568725314 /nfs/dbraw/zinc/72/53/14/568725314.db2.gz INJPXILABYOIHB-UHFFFAOYSA-N 0 0 400.569 4.667 50 0 HJAARN Cc1ccc(-c2nnc(SCC(=O)NCc3ccccc3)n2-c2ccccc2)cc1 ZINC000000868884 568725319 /nfs/dbraw/zinc/72/53/19/568725319.db2.gz URSSISJWMGANJC-UHFFFAOYSA-N 0 0 414.534 4.651 50 0 HJAARN CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN1CCCCC1)c1ccccc1CC2 ZINC000000869972 568725837 /nfs/dbraw/zinc/72/58/37/568725837.db2.gz QTJNGVPQSUTHAQ-UHFFFAOYSA-N 0 0 407.514 4.504 50 0 HJAARN CC[C@H](C)c1nc(C)c(Cc2cccc(C)c2)c(N2CCN(C(=O)C(C)C)CC2)n1 ZINC000096317465 568726840 /nfs/dbraw/zinc/72/68/40/568726840.db2.gz WKBZGMUXGLHBGQ-IBGZPJMESA-N 0 0 408.590 4.502 50 0 HJAARN Fc1ccc(Nc2ncc3c(n2)CCN(Cc2ccc(Br)s2)C3)cc1 ZINC000021639785 568727516 /nfs/dbraw/zinc/72/75/16/568727516.db2.gz UJBBRPXWNGTKTF-UHFFFAOYSA-N 0 0 419.323 4.742 50 0 HJAARN CC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@@H]3[C@H]4C[C@H]5OC(=O)[C@@H]3[C@H]5C4)cc2)cc1 ZINC000239412501 568729424 /nfs/dbraw/zinc/72/94/24/568729424.db2.gz SUBGWVVPOYQJTR-WZXYAWANSA-N 0 0 405.494 4.913 50 0 HJAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(Br)cc2)cc1 ZINC000239433453 568729492 /nfs/dbraw/zinc/72/94/92/568729492.db2.gz XSGYHOUEGCHLDK-GMAHTHKFSA-N 0 0 419.322 6.000 50 0 HJAARN O=S(=O)(Cc1ccc(-c2nc(-c3ccccc3Cl)no2)o1)c1ccccc1 ZINC000096322669 568730834 /nfs/dbraw/zinc/73/08/34/568730834.db2.gz WNMAIWBUYIOJCR-UHFFFAOYSA-N 0 0 400.843 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COc1ccc(C2=N/C(=C/c3ccc(C(C)C)cc3)C(=O)O2)cc1Br ZINC000002945804 568819937 /nfs/dbraw/zinc/81/99/37/568819937.db2.gz KFGGPFVETMSLQG-LICLKQGHSA-N 0 0 400.272 4.926 50 0 HJAARN O=C(Cn1c2ccccc2nc1-c1cccc(Cl)c1Cl)Nc1nncs1 ZINC000057153690 568824760 /nfs/dbraw/zinc/82/47/60/568824760.db2.gz AJJQLRZJJDWQHG-UHFFFAOYSA-N 0 0 404.282 4.500 50 0 HJAARN O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1c[nH]c2ccccc12 ZINC000005860863 568826256 /nfs/dbraw/zinc/82/62/56/568826256.db2.gz BNTITCJIXZOFTG-UHFFFAOYSA-N 0 0 411.486 4.842 50 0 aggregator HJAARN COc1ccc(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(OC)c1OC ZINC000029472977 568826441 /nfs/dbraw/zinc/82/64/41/568826441.db2.gz BRTIZNMGVZZRNJ-UHFFFAOYSA-N 0 0 404.677 4.854 50 0 HJAARN COc1cccc(-c2nc(CSc3nnc(-c4ccco4)n3C)cs2)c1OC ZINC000005865039 568826782 /nfs/dbraw/zinc/82/67/82/568826782.db2.gz DSVYVRFJQMBXCM-UHFFFAOYSA-N 0 0 414.512 4.508 50 0 HJAARN O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)NCc1cccs1 ZINC000005866677 568826784 /nfs/dbraw/zinc/82/67/84/568826784.db2.gz 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COc1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000057486690 568842487 /nfs/dbraw/zinc/84/24/87/568842487.db2.gz IGMWMKZUGIIAIU-UHFFFAOYSA-N 0 0 408.845 4.506 50 0 HJAARN C[C@H](NC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000057486761 568842603 /nfs/dbraw/zinc/84/26/03/568842603.db2.gz YAYSKKNISMLGCE-HNNXBMFYSA-N 0 0 406.873 4.736 50 0 HJAARN Cc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccc(F)cc3Cl)n2)cc1 ZINC000057486833 568842642 /nfs/dbraw/zinc/84/26/42/568842642.db2.gz FKKZSHRAUWVXBF-UHFFFAOYSA-N 0 0 410.836 4.945 50 0 HJAARN O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)NCCC1=CCCCC1 ZINC000057487305 568843164 /nfs/dbraw/zinc/84/31/64/568843164.db2.gz CLGNVIAKPUDASM-UHFFFAOYSA-N 0 0 410.905 4.865 50 0 HJAARN OCCn1c(CN[C@H](c2cccs2)c2ccc(F)cc2)nc2ccc(Cl)cc21 ZINC000012530935 568844237 /nfs/dbraw/zinc/84/42/37/568844237.db2.gz VHMCAFFHYWJMGH-NRFANRHFSA-N 0 0 415.921 4.762 50 0 HJAARN O=C(NC[C@H]1CCCO1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000003033210 568845136 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CCCCCCn1nc(C(=O)N[C@@H]2CCCc3ccccc32)c2ccccc2c1=O ZINC000003245501 568848569 /nfs/dbraw/zinc/84/85/69/568848569.db2.gz YDQRTTJAZYCMGS-JOCHJYFZSA-N 0 0 403.526 4.784 50 0 HJAARN Cc1ccc(CNC(=O)c2cnn3c2nc(C)c(Cc2cc(C)ccc2C)c3C)cc1 ZINC000003045330 568848811 /nfs/dbraw/zinc/84/88/11/568848811.db2.gz YYXGAHUILYQDPG-UHFFFAOYSA-N 0 0 412.537 4.792 50 0 HJAARN COc1cc(CNC(=O)c2sc3cccc(F)c3c2COc2ccccc2)ccn1 ZINC000012544950 568849832 /nfs/dbraw/zinc/84/98/32/568849832.db2.gz VTHCQDDIGHSBRK-UHFFFAOYSA-N 0 0 422.481 4.953 50 0 HJAARN CCc1cc(=O)n(CC(=O)Nc2c(C)cccc2CC)c(-c2cccc(Cl)c2)n1 ZINC000057527687 568850887 /nfs/dbraw/zinc/85/08/87/568850887.db2.gz QAZFQKHOTHFTIB-UHFFFAOYSA-N 0 0 409.917 4.636 50 0 HJAARN COc1cccc([C@H](NC(=O)Cc2ccc(-c3ccccc3)cc2)c2nccn2C)c1 ZINC000012547430 568851521 /nfs/dbraw/zinc/85/15/21/568851521.db2.gz BZKDFKRLYYUWMJ-VWLOTQADSA-N 0 0 411.505 4.544 50 0 HJAARN O=C(NCc1ccc(Cl)cc1)c1ccc(/C=C2\Oc3ccccc3NC2=O)cc1 ZINC000003056764 568851812 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Cc1ccc(-n2c(Cc3cccc4ccccc43)nnc2S[C@@H](C)C(N)=O)c(C)c1 ZINC000003430482 568901699 /nfs/dbraw/zinc/90/16/99/568901699.db2.gz MFNGPYFNIXMBIS-KRWDZBQOSA-N 0 0 416.550 4.594 50 0 HJAARN Cc1ccc(-n2c(=O)c3c4c(sc3nc2NN=Cc2ccc(F)cc2)CCC4)cc1 ZINC000012650772 568906467 /nfs/dbraw/zinc/90/64/67/568906467.db2.gz DQYPNHMQAXPOBT-UHFFFAOYSA-N 0 0 418.497 4.829 50 0 HJAARN CSCC[C@@H](NC(=O)c1ccccc1C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000003457650 568906682 /nfs/dbraw/zinc/90/66/82/568906682.db2.gz AMNXMVNLDUDHNP-QGZVFWFLSA-N 0 0 410.461 4.504 50 0 HJAARN CC(C)(C)c1ccc(-c2nnc(S[C@@H]3CCOC3=O)n2Cc2ccccc2)cc1 ZINC000003457821 568906699 /nfs/dbraw/zinc/90/66/99/568906699.db2.gz WJOFULYISXFZAC-LJQANCHMSA-N 0 0 407.539 4.699 50 0 HJAARN CC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000012688138 568907939 /nfs/dbraw/zinc/90/79/39/568907939.db2.gz VNCKIBLGXNZSGB-UHFFFAOYSA-N 0 0 423.387 4.610 50 0 HJAARN c1ccc(-c2nc3sc4c(ncnc4NC[C@@H]4CCCO4)c3c3c2CCC3)cc1 ZINC000001254678 568908946 /nfs/dbraw/zinc/90/89/46/568908946.db2.gz UYORXEIQPIMRLW-HNNXBMFYSA-N 0 0 402.523 4.986 50 0 HJAARN CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000003499012 568909968 /nfs/dbraw/zinc/90/99/68/568909968.db2.gz LGJWOVKJFNPAMV-CQSZACIVSA-N 0 0 400.935 4.588 50 0 HJAARN CC(C)Cn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1ccccc1F ZINC000003506842 568911027 /nfs/dbraw/zinc/91/10/27/568911027.db2.gz DZSMSBJFUGKBAI-INIZCTEOSA-N 0 0 412.534 4.710 50 0 HJAARN COc1ccc([C@H]2Cn3cnc(-c4nc(-c5ccccc5Cl)no4)c3CO2)cc1 ZINC000263616636 568911040 /nfs/dbraw/zinc/91/10/40/568911040.db2.gz JVRVQTUVSPUIQG-GOSISDBHSA-N 0 0 408.845 4.534 50 0 HJAARN C[C@@H](OC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21)C(=O)NC1CCCC1 ZINC000003513884 568911320 /nfs/dbraw/zinc/91/13/20/568911320.db2.gz YISBBUOKGKMXKK-OAHLLOKOSA-N 0 0 406.457 4.645 50 0 HJAARN COc1ccc(N2C(=O)C[C@H](c3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1 ZINC000001295738 568913026 /nfs/dbraw/zinc/91/30/26/568913026.db2.gz XIUZREBTINNAEH-JOCHJYFZSA-N 0 0 410.473 4.745 50 0 biogenic HJAARN COc1ccc(C2=NN(C(C)=O)[C@@H](c3cc4cc(C)ccc4nc3Cl)C2)cc1OC ZINC000001303228 568913384 /nfs/dbraw/zinc/91/33/84/568913384.db2.gz KOCXKEPFXWGFPN-HXUWFJFHSA-N 0 0 423.900 4.911 50 0 HJAARN Cc1ccc(CN2c3ccc(Cl)cc3[C@@](O)(CC(=O)c3ccccc3)C2=O)c(C)c1 ZINC000001320471 568914236 /nfs/dbraw/zinc/91/42/36/568914236.db2.gz VXQYKWYEZKGJTB-VWLOTQADSA-N 0 0 419.908 4.964 50 0 HJAARN CC(C)c1ccc(OC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1 ZINC000003547656 568914291 /nfs/dbraw/zinc/91/42/91/568914291.db2.gz IFPANQRCMJEXJS-UHFFFAOYSA-N 0 0 409.507 4.854 50 0 HJAARN COc1ccc(CCSc2nnc([C@@H](C)N(C)C)n2-c2ccc(Cl)cc2)cc1 ZINC000003553521 568915224 /nfs/dbraw/zinc/91/52/24/568915224.db2.gz HNOZAOLOBGUKSF-OAHLLOKOSA-N 0 0 416.978 4.887 50 0 HJAARN Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)N4C[C@@H](C)O[C@@H](C)C4)cc3)sc2c1 ZINC000012692046 568915442 /nfs/dbraw/zinc/91/54/42/568915442.db2.gz LPMKVJILDYTVAH-IXDOHACOSA-N 0 0 409.555 4.708 50 0 HJAARN COC(=O)c1ccccc1CSc1nnc(-c2ccco2)n1-c1cccc(C)c1 ZINC000004145334 568916453 /nfs/dbraw/zinc/91/64/53/568916453.db2.gz SUPONZYFGCIVNY-UHFFFAOYSA-N 0 0 405.479 4.915 50 0 HJAARN O=C(Nc1ccc(Cl)cc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000001359877 568916455 /nfs/dbraw/zinc/91/64/55/568916455.db2.gz WHRUNDVSLUVWRK-AWEZNQCLSA-N 0 0 400.841 4.941 50 0 HJAARN CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(-c2nc(C)cs2)cc1 ZINC000058440428 568919133 /nfs/dbraw/zinc/91/91/33/568919133.db2.gz CGWLOLJNEWWFGE-UHFFFAOYSA-N 0 0 411.552 4.551 50 0 HJAARN Cc1cccn2cc(COc3cccc(C(=O)Nc4ccc(F)c(F)c4F)c3)nc12 ZINC000012728410 568920977 /nfs/dbraw/zinc/92/09/77/568920977.db2.gz FULKIJJGGRVGJE-UHFFFAOYSA-N 0 0 411.383 4.891 50 0 HJAARN O=S(=O)(Cc1cc(Sc2ccccc2)nc(-c2ccncc2)n1)c1ccccc1 ZINC000001387492 568923014 /nfs/dbraw/zinc/92/30/14/568923014.db2.gz IGYXBIWQRLGLER-UHFFFAOYSA-N 0 0 419.531 4.664 50 0 HJAARN COc1ccc([C@H]2[C@H](C(=O)NCCC3=CCCCC3)c3ccccc3C(=O)N2C)cc1 ZINC000003657635 568923153 /nfs/dbraw/zinc/92/31/53/568923153.db2.gz WAYSKBHZYAMQOB-RPWUZVMVSA-N 0 0 418.537 4.612 50 0 HJAARN COC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000003658665 568923342 /nfs/dbraw/zinc/92/33/42/568923342.db2.gz YEHPLVBKAJAQRA-CQSZACIVSA-N 0 0 407.470 4.880 50 0 aggregator HJAARN COc1ccc([C@@H](CNC(=O)CCCn2cccc2)c2c[nH]c3ccccc32)cc1 ZINC000438572412 568923562 /nfs/dbraw/zinc/92/35/62/568923562.db2.gz DOOUVXYVCFKFDN-JOCHJYFZSA-N 0 0 401.510 4.707 50 0 HJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1C=CC(C(F)(F)Cl)=NCC1 ZINC000001396097 568926384 /nfs/dbraw/zinc/92/63/84/568926384.db2.gz CXZHMNIHSFZAEM-UHFFFAOYSA-N 0 0 418.202 4.685 50 0 HJAARN O=S(=O)(Cc1cc(NCc2ccccc2)nc(-c2ccccc2)n1)c1ccccc1 ZINC000001404372 568927626 /nfs/dbraw/zinc/92/76/26/568927626.db2.gz BHOGXQMLEQSNIZ-UHFFFAOYSA-N 0 0 415.518 4.730 50 0 HJAARN COc1cccc(N2C(=O)c3cc(C)nc(SCc4ccccc4F)c3C2=O)c1 ZINC000001405642 568927879 /nfs/dbraw/zinc/92/78/79/568927879.db2.gz DLDZMMZHJURNJR-UHFFFAOYSA-N 0 0 408.454 4.631 50 0 HJAARN COc1ccc(N2C(=O)c3cc(C)nc(SCc4ccccc4F)c3C2=O)cc1 ZINC000001405542 568927896 /nfs/dbraw/zinc/92/78/96/568927896.db2.gz RZXSVQQFTMNJHO-UHFFFAOYSA-N 0 0 408.454 4.631 50 0 HJAARN O=c1c2c(-c3ccc(F)cc3)csc2ncn1Cc1noc(-c2ccc(F)cc2)n1 ZINC000031626989 568928747 /nfs/dbraw/zinc/92/87/47/568928747.db2.gz VCYHPBGINSBXHK-UHFFFAOYSA-N 0 0 422.416 4.502 50 0 HJAARN CC1CCN(Cc2csc(NC(=O)CCc3ncc(-c4ccccc4)o3)n2)CC1 ZINC000012740598 568928819 /nfs/dbraw/zinc/92/88/19/568928819.db2.gz ASVLJKDGPLRGLJ-UHFFFAOYSA-N 0 0 410.543 4.601 50 0 HJAARN Cc1ccc(-c2nc(CN3C(=O)N[C@](C)(c4cccc5ccccc54)C3=O)co2)cc1 ZINC000031632947 568928868 /nfs/dbraw/zinc/92/88/68/568928868.db2.gz QQVRDVILRCTNOJ-RUZDIDTESA-N 0 0 411.461 4.770 50 0 HJAARN Cc1ccc(C(=O)[C@H](OC(=O)CNC(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000001838459 568930279 /nfs/dbraw/zinc/93/02/79/568930279.db2.gz CLFVTBYKWUDCDW-HSZRJFAPSA-N 0 0 421.880 4.546 50 0 aggregator HJAARN COc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)cc1Br ZINC000001150712 568930438 /nfs/dbraw/zinc/93/04/38/568930438.db2.gz NDKIWXUXBRSYHJ-UHFFFAOYSA-N 0 0 418.070 4.804 50 0 HJAARN CCOC(=O)/C=C(\C)N1N=C2c3cc(OC)ccc3CC[C@H]2[C@@H]1c1ccc(F)cc1 ZINC000003995312 568931353 /nfs/dbraw/zinc/93/13/53/568931353.db2.gz UUPXZEATKTYCII-CKGQKEJJSA-N 0 0 408.473 4.625 50 0 HJAARN CN(C(=O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1)c1ccccc1 ZINC000031808877 568931920 /nfs/dbraw/zinc/93/19/20/568931920.db2.gz QBYXQRXSASSFBS-UHFFFAOYSA-N 0 0 423.310 4.907 50 0 HJAARN Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3cccc(Br)c3)NC(=O)CCN21 ZINC000004000116 568932075 /nfs/dbraw/zinc/93/20/75/568932075.db2.gz PTPVBKZWRVAAOO-XBFAEUMISA-N 0 0 411.343 4.785 50 0 biogenic HJAARN CCC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(Cn5nc(C)cc5C)nc4c23)C1 ZINC000002799452 568932413 /nfs/dbraw/zinc/93/24/13/568932413.db2.gz AAPXFGIRJDTFPA-OAHLLOKOSA-N 0 0 408.575 4.742 50 0 HJAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)c(F)c3)C2)c2ccccc12 ZINC000012747620 568933645 /nfs/dbraw/zinc/93/36/45/568933645.db2.gz PRKXXRWUFLCLIO-QGZVFWFLSA-N 0 0 420.484 4.787 50 0 HJAARN COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)oc(=O)cc3-c2ccccc2)cc1 ZINC000004029372 568934354 /nfs/dbraw/zinc/93/43/54/568934354.db2.gz MNZJUZFZFRKBCR-MRXNPFEDSA-N 0 0 415.445 4.875 50 0 biogenic HJAARN COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000004033132 568934809 /nfs/dbraw/zinc/93/48/09/568934809.db2.gz BMTXMUQSVSVUIY-UHFFFAOYSA-N 0 0 400.482 4.955 50 0 HJAARN Cc1c(-c2cccc(NC(=O)c3ccc(Br)cc3)c2)nc2ncccn12 ZINC000004033202 568934849 /nfs/dbraw/zinc/93/48/49/568934849.db2.gz VHYBMTJJLULCOZ-UHFFFAOYSA-N 0 0 407.271 4.720 50 0 HJAARN COc1ccc(-c2cnn3c2nc(C)c2c3N(C3CCCCCC3)CC2)cc1OC ZINC000004050918 568936341 /nfs/dbraw/zinc/93/63/41/568936341.db2.gz HHWNVLISKWBVQU-UHFFFAOYSA-N 0 0 406.530 4.807 50 0 HJAARN O=C(CSc1cn(Cc2ccc(Cl)cc2)c2ccccc12)NC[C@@H]1CCCO1 ZINC000004060773 568936896 /nfs/dbraw/zinc/93/68/96/568936896.db2.gz MCALVEIYFVINBC-SFHVURJKSA-N 0 0 414.958 4.730 50 0 HJAARN Cc1c(C(=O)Nc2ccc(Oc3ncccn3)cc2C)oc2c1C(=O)CC(C)(C)C2 ZINC000084093294 568937167 /nfs/dbraw/zinc/93/71/67/568937167.db2.gz KTOJRGPUXZVIHY-UHFFFAOYSA-N 0 0 405.454 4.886 50 0 HJAARN C[C@@H](NC(=O)CN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc21)c1ccccc1 ZINC000004742845 568937961 /nfs/dbraw/zinc/93/79/61/568937961.db2.gz KLEJPCWSIFJSAQ-NSYGIPOTSA-N 0 0 409.489 4.591 50 0 HJAARN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Nc1cc(Cl)ccc1C(=O)N(C)C ZINC000084129118 568939392 /nfs/dbraw/zinc/93/93/92/568939392.db2.gz DFITZZQYGYPESO-KRWDZBQOSA-N 0 0 403.910 4.778 50 0 HJAARN COc1ccc2c(c1OC)C(=O)N1C[C@H](c3ccccc3)c3c4ccccc4[nH]c3[C@H]21 ZINC000004084448 568939917 /nfs/dbraw/zinc/93/99/17/568939917.db2.gz QJGVFTGFUHOFRH-KOSHJBKYSA-N 0 0 410.473 4.876 50 0 biogenic HJAARN COc1cc(OC)c(Nc2nc3ccccc3nc2-n2nc(C)cc2C)cc1Cl ZINC000001431860 568940580 /nfs/dbraw/zinc/94/05/80/568940580.db2.gz SBMUATXNXDUEIO-UHFFFAOYSA-N 0 0 409.877 4.847 50 0 HJAARN Cc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc(C)c1OC(F)F ZINC000015504077 568940727 /nfs/dbraw/zinc/94/07/27/568940727.db2.gz VITBPLWWCAQDRO-OXJNMPFZSA-N 0 0 402.441 4.650 50 0 HJAARN O=S(=O)(N[C@@H]1CCSc2ccccc21)c1ccc(Br)cc1Cl ZINC000012752361 568941676 /nfs/dbraw/zinc/94/16/76/568941676.db2.gz QTKKFAVWQLTFJM-CYBMUJFWSA-N 0 0 418.765 4.618 50 0 HJAARN Cc1oc2c(cc3c(C)c(CC(=O)NC4CC4)c(=O)oc3c2C)c1-c1ccccc1 ZINC000004090063 568941886 /nfs/dbraw/zinc/94/18/86/568941886.db2.gz IXMPECBSPKENRD-UHFFFAOYSA-N 0 0 401.462 4.953 50 0 biogenic HJAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000012754326 568942338 /nfs/dbraw/zinc/94/23/38/568942338.db2.gz CCMMXSJDARWIKE-UHFFFAOYSA-N 0 0 416.308 4.637 50 0 HJAARN Cc1cccc(C)c1OC[C@H](NC(=O)CCc1nc(C(C)C)no1)c1ccccc1 ZINC000084225483 568944620 /nfs/dbraw/zinc/94/46/20/568944620.db2.gz OMNACMFXUOEQGK-FQEVSTJZSA-N 0 0 407.514 4.679 50 0 HJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1nccnc1-c1nc2ccccc2s1 ZINC000012764825 568947664 /nfs/dbraw/zinc/94/76/64/568947664.db2.gz UFOUARREJDSCKB-UHFFFAOYSA-N 0 0 416.384 4.904 50 0 HJAARN Cc1ccc(-n2nc3c(c2NC(=O)c2cccc(Br)c2)CSC3)cc1 ZINC000004175965 568948674 /nfs/dbraw/zinc/94/86/74/568948674.db2.gz SYLNZILRRLQDBD-UHFFFAOYSA-N 0 0 414.328 4.942 50 0 HJAARN O=C(c1csc(-c2ccc(Cl)s2)n1)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000084445411 568949204 /nfs/dbraw/zinc/94/92/04/568949204.db2.gz HENAJMSCFWJEFT-NWDGAFQWSA-N 0 0 415.005 4.652 50 0 HJAARN COc1ccc(Cl)cc1C(=O)Nc1ccc2nn(-c3ccc(C)c(C)c3)nc2c1 ZINC000004180184 568949263 /nfs/dbraw/zinc/94/92/63/568949263.db2.gz SZFIZSFCBPCZOJ-UHFFFAOYSA-N 0 0 406.873 4.952 50 0 HJAARN O=C(c1cc2cc(Br)ccc2o1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000084522212 568949989 /nfs/dbraw/zinc/94/99/89/568949989.db2.gz SSVYPKATBAAXAS-FQEVSTJZSA-N 0 0 414.299 4.781 50 0 HJAARN CN(CCC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)Nc1ccccc1Cl ZINC000012769037 568950148 /nfs/dbraw/zinc/95/01/48/568950148.db2.gz XWYHYMYHORGSLN-UHFFFAOYSA-N 0 0 414.720 4.546 50 0 HJAARN COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c32)c1 ZINC000012769951 568950505 /nfs/dbraw/zinc/95/05/05/568950505.db2.gz QIYMFVBINRUXIK-UHFFFAOYSA-N 0 0 409.467 4.838 50 0 HJAARN O=C(COc1cccc(Br)c1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000012769929 568950512 /nfs/dbraw/zinc/95/05/12/568950512.db2.gz MPTLDIAOAVNYOU-UHFFFAOYSA-N 0 0 411.299 4.625 50 0 HJAARN Cc1cc(NC(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)no1 ZINC000004221086 568952506 /nfs/dbraw/zinc/95/25/06/568952506.db2.gz TXFOEYMJLNKAOK-UHFFFAOYSA-N 0 0 412.902 4.765 50 0 HJAARN O=C(Cc1ccc(F)c(Br)c1)Nc1ccnc(Sc2ccccn2)c1 ZINC000084613290 568953055 /nfs/dbraw/zinc/95/30/55/568953055.db2.gz LOUDMBBWCIIYRJ-UHFFFAOYSA-N 0 0 418.291 4.711 50 0 HJAARN COc1ccc(C)cc1-n1ccnc1SCC(=O)Nc1nc2ccccc2s1 ZINC000004248681 568953789 /nfs/dbraw/zinc/95/37/89/568953789.db2.gz WLYOBXIKFYVPLK-UHFFFAOYSA-N 0 0 410.524 4.530 50 0 HJAARN C[C@@H](C[C@H](O)c1ccccc1)NC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000084637066 568953958 /nfs/dbraw/zinc/95/39/58/568953958.db2.gz GXAWVBNAJRJYGA-LIRRHRJNSA-N 0 0 400.931 4.634 50 0 HJAARN Cc1ccc(Nc2nnc(S[C@H](C)C(=O)NCc3ccco3)s2)cc1Cl ZINC000012777088 568955561 /nfs/dbraw/zinc/95/55/61/568955561.db2.gz GMFYPBCGLVJACA-LLVKDONJSA-N 0 0 408.936 4.634 50 0 HJAARN CC(=O)N(c1nnc(SCc2csc(Nc3ccccc3)n2)s1)C1CC1 ZINC000012778287 568956165 /nfs/dbraw/zinc/95/61/65/568956165.db2.gz NJGKMLBAYJSRIE-UHFFFAOYSA-N 0 0 403.558 4.546 50 0 HJAARN O=C1CS[C@H](c2ccccc2F)N1c1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000004269010 568956416 /nfs/dbraw/zinc/95/64/16/568956416.db2.gz QMDYOJBQMYMBHG-IWGLNFRWSA-N 0 0 415.559 4.924 50 0 HJAARN COc1ccc(NC(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c32)c(OC)c1 ZINC000012779286 568956540 /nfs/dbraw/zinc/95/65/40/568956540.db2.gz RSRSKSHLHQSROX-UHFFFAOYSA-N 0 0 409.467 4.838 50 0 HJAARN O=c1nc(CSc2ccc3c(c2)OCCCO3)[nH]c2scc(-c3ccco3)c21 ZINC000012781232 568957687 /nfs/dbraw/zinc/95/76/87/568957687.db2.gz DLMWXODDCOARCH-UHFFFAOYSA-N 0 0 412.492 4.698 50 0 HJAARN COc1cccc(C2=NN(C(C)=O)[C@@H](c3cc4ccc(OC)cc4nc3Cl)C2)c1 ZINC000004306603 568960639 /nfs/dbraw/zinc/96/06/39/568960639.db2.gz XXYIKYWDOMXTBF-OAQYLSRUSA-N 0 0 409.873 4.603 50 0 HJAARN CCOc1ccc(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccccc2)cc1 ZINC000004315087 568961515 /nfs/dbraw/zinc/96/15/15/568961515.db2.gz SURBEOBKWUGSTN-UHFFFAOYSA-N 0 0 417.486 4.697 50 0 HJAARN CC[C@H](C)N1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000015672876 568962632 /nfs/dbraw/zinc/96/26/32/568962632.db2.gz MSKZEFINBLPADO-HJPURHCSSA-N 0 0 415.603 4.945 50 0 HJAARN COc1cc(NCC(=O)NC(c2ccccc2)c2ccccc2)c(OC)cc1Cl ZINC000007978842 568963329 /nfs/dbraw/zinc/96/33/29/568963329.db2.gz XJZMVAXEYPTPMP-UHFFFAOYSA-N 0 0 410.901 4.675 50 0 HJAARN CC(C)CCN1C(=O)c2nc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015678089 568965791 /nfs/dbraw/zinc/96/57/91/568965791.db2.gz ADYWSFWSRPWDGU-RUZDIDTESA-N 0 0 424.589 4.526 50 0 HJAARN CC(=O)N[C@@H](CC(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12)c1ccccc1 ZINC000008013260 568968347 /nfs/dbraw/zinc/96/83/47/568968347.db2.gz BVFVZUXNVSPOPU-NRFANRHFSA-N 0 0 412.493 4.516 50 0 HJAARN Cc1noc(C)c1CCC(=O)NCCCCOc1ccc(OCc2ccccc2)cc1 ZINC000012792974 568969283 /nfs/dbraw/zinc/96/92/83/568969283.db2.gz ZWYRYUGQQXVAPZ-UHFFFAOYSA-N 0 0 422.525 4.778 50 0 HJAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)CSCc2ccccc2Cl)c(C)c1 ZINC000008055070 568970869 /nfs/dbraw/zinc/97/08/69/568970869.db2.gz NSLROGOWMQVDJG-UHFFFAOYSA-N 0 0 404.963 4.596 50 0 HJAARN O=C(Nc1ccccc1)C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1 ZINC000008073548 568971931 /nfs/dbraw/zinc/97/19/31/568971931.db2.gz IYHHNIAMQGUSEB-UHFFFAOYSA-N 0 0 400.478 4.970 50 0 HJAARN Cc1ccnn1-c1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000008093803 568973719 /nfs/dbraw/zinc/97/37/19/568973719.db2.gz LDFBUFUGRBCTKL-GOSISDBHSA-N 0 0 402.523 4.810 50 0 HJAARN O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1ccccc1N1CCCCC1 ZINC000008132003 568975628 /nfs/dbraw/zinc/97/56/28/568975628.db2.gz YLCVSMIFWAOKDU-UHFFFAOYSA-N 0 0 414.505 4.925 50 0 HJAARN Cn1c2ccccc2nc1SCC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000008133175 568976263 /nfs/dbraw/zinc/97/62/63/568976263.db2.gz VLZSLBSZHVPZRW-UHFFFAOYSA-N 0 0 416.506 4.556 50 0 HJAARN Cc1ccc(-c2csc3ncnc(N4CCN(c5ccc(O)cc5)CC4)c23)cc1 ZINC000008147001 568977342 /nfs/dbraw/zinc/97/73/42/568977342.db2.gz CBBLJJJNOKKIID-UHFFFAOYSA-N 0 0 402.523 4.699 50 0 HJAARN O=C(Nc1c2ccccc2oc1C(=O)N1CCN(c2ccccc2)CC1)C1CCCC1 ZINC000015727895 568979057 /nfs/dbraw/zinc/97/90/57/568979057.db2.gz YLGPSWPJMHGVQM-UHFFFAOYSA-N 0 0 417.509 4.524 50 0 HJAARN CC1CCN(c2ccc(NC(=O)CSc3nccn3Cc3ccccc3)cc2)CC1 ZINC000008162504 568979329 /nfs/dbraw/zinc/97/93/29/568979329.db2.gz LWKYHGDYNMSICY-UHFFFAOYSA-N 0 0 420.582 4.899 50 0 HJAARN C[C@H](Sc1nnnn1C1CCCCC1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000012800562 568979468 /nfs/dbraw/zinc/97/94/68/568979468.db2.gz YVLSXBNZFJIAMR-AWEZNQCLSA-N 0 0 415.563 4.526 50 0 HJAARN CC(=O)Nc1nc2c(cc(NC(=O)Nc3cccc(Br)c3)cc2C)s1 ZINC000015729961 568980406 /nfs/dbraw/zinc/98/04/06/568980406.db2.gz WMGNRIDJCYDPHS-UHFFFAOYSA-N 0 0 419.304 4.970 50 0 HJAARN Nn1c(COc2ccccc2F)nnc1SCc1ccc(-c2ccccc2)cc1 ZINC000008191871 568981433 /nfs/dbraw/zinc/98/14/33/568981433.db2.gz TYBCNXDWSFTRRL-UHFFFAOYSA-N 0 0 406.486 4.669 50 0 HJAARN CCOc1ccc2nc(NC(=O)[C@H](CC)Sc3nc(C)cc(C)n3)sc2c1 ZINC000008195722 568982338 /nfs/dbraw/zinc/98/23/38/568982338.db2.gz RALUDWTYGWKKRB-HNNXBMFYSA-N 0 0 402.545 4.611 50 0 HJAARN O=C(CSc1nc2ccccc2o1)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000008209749 568982762 /nfs/dbraw/zinc/98/27/62/568982762.db2.gz CRHKQRZMSCKZBI-UHFFFAOYSA-N 0 0 419.510 4.544 50 0 HJAARN Cn1ccnc1[C@@H](NC(=O)COc1ccccc1-c1ccccc1)c1ccc(F)cc1 ZINC000008215993 568982910 /nfs/dbraw/zinc/98/29/10/568982910.db2.gz GHCMRWROARYPEN-DEOSSOPVSA-N 0 0 415.468 4.511 50 0 HJAARN O=C(COc1ccccc1-c1nnc(-c2ccccc2)o1)Nc1cc(F)ccc1F ZINC000015733386 568983176 /nfs/dbraw/zinc/98/31/76/568983176.db2.gz NPRJQZRKYNLEPP-UHFFFAOYSA-N 0 0 407.376 4.699 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2c(=O)n1CC(C)C ZINC000008230274 568983711 /nfs/dbraw/zinc/98/37/11/568983711.db2.gz KXFOOVWZLSJVHA-UHFFFAOYSA-N 0 0 415.946 4.745 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1-n1cc(-c2ccncc2)cn1 ZINC000085391895 568984188 /nfs/dbraw/zinc/98/41/88/568984188.db2.gz UYRLVVLKHRRZJN-UHFFFAOYSA-N 0 0 409.371 4.600 50 0 HJAARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccccc1)c2=O ZINC000001448017 568985339 /nfs/dbraw/zinc/98/53/39/568985339.db2.gz HMBWYYWSDSVQSA-LBPRGKRZSA-N 0 0 406.356 4.809 50 0 biogenic HJAARN COc1ccc(-c2coc3cc(OC(=O)c4ccccc4)ccc3c2=O)cc1OC ZINC000001448033 568985380 /nfs/dbraw/zinc/98/53/80/568985380.db2.gz YFIYVJDDDYDMGN-UHFFFAOYSA-N 0 0 402.402 4.696 50 0 biogenic HJAARN Cc1cccc(C)c1NC(=O)[C@@H](NC(=O)c1ccccc1O)c1ccccc1Cl ZINC000085397587 568985466 /nfs/dbraw/zinc/98/54/66/568985466.db2.gz VGBWLQUOTRZFHC-NRFANRHFSA-N 0 0 408.885 4.772 50 0 HJAARN C[C@@H](Nc1cccc(CO)c1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000012812551 568986860 /nfs/dbraw/zinc/98/68/60/568986860.db2.gz RXVNVMRAULMMMF-MRXNPFEDSA-N 0 0 417.534 4.819 50 0 HJAARN CCN(CC)S(=O)(=O)c1cccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)c1 ZINC000006052125 568988151 /nfs/dbraw/zinc/98/81/51/568988151.db2.gz ORIVVSPASDIUJS-UHFFFAOYSA-N 0 0 422.550 4.565 50 0 HJAARN C[C@@H]1CCc2sc(C(=O)N(C)CC(=O)Nc3ccccc3C(F)(F)F)cc2C1 ZINC000008303349 568988320 /nfs/dbraw/zinc/98/83/20/568988320.db2.gz SGXRBFMUUDNATB-GFCCVEGCSA-N 0 0 410.461 4.602 50 0 HJAARN COc1ccc(-c2c3sc(=O)oc3ccc2OC(=O)COc2ccc(C)cc2)cc1 ZINC000001462099 568988881 /nfs/dbraw/zinc/98/88/81/568988881.db2.gz VJUUIPXZJUEHGU-UHFFFAOYSA-N 0 0 422.458 4.823 50 0 HJAARN Cc1cc(NC(=O)[C@H](c2ccccc2)N2CCC(c3nc4ccccc4o3)CC2)no1 ZINC000012815518 568989531 /nfs/dbraw/zinc/98/95/31/568989531.db2.gz VNWKMKBSFALBJW-QFIPXVFZSA-N 0 0 416.481 4.684 50 0 HJAARN Cc1ccc2c(Cn3cnc4scc(-c5ccc(F)cc5)c4c3=O)cc(=O)oc2c1 ZINC000012815945 568989768 /nfs/dbraw/zinc/98/97/68/568989768.db2.gz HRVOSMXLYGMGSX-UHFFFAOYSA-N 0 0 418.449 4.727 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cc(Br)ccc1F ZINC000012817148 568990115 /nfs/dbraw/zinc/99/01/15/568990115.db2.gz MWIYOKNSLGRTGZ-UHFFFAOYSA-N 0 0 416.294 4.663 50 0 HJAARN O=C(CN1CC=C(c2ccc(O)cc2)CC1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000012819034 568990629 /nfs/dbraw/zinc/99/06/29/568990629.db2.gz NBUREFPZLDWVBN-UHFFFAOYSA-N 0 0 420.509 4.552 50 0 HJAARN CCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C(CC)CC)cc1 ZINC000006072725 568992654 /nfs/dbraw/zinc/99/26/54/568992654.db2.gz HLZIIJNVFRWBEV-LJQANCHMSA-N 0 0 403.548 4.903 50 0 HJAARN C[C@@H](Sc1nnnn1Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000008329069 568992928 /nfs/dbraw/zinc/99/29/28/568992928.db2.gz KNEKNMZAZWURHI-QGZVFWFLSA-N 0 0 415.522 4.508 50 0 HJAARN Cc1noc(C)c1COC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 ZINC000006078384 568993215 /nfs/dbraw/zinc/99/32/15/568993215.db2.gz AZYZHKDTWQUZKS-HXUWFJFHSA-N 0 0 412.873 4.549 50 0 HJAARN CC(C)(C)c1ccc(OCc2nn3c(nnc3[C@@H]3COc4ccccc4O3)s2)cc1 ZINC000006075459 568993299 /nfs/dbraw/zinc/99/32/99/568993299.db2.gz CUUNCPOZXOHVHW-SFHVURJKSA-N 0 0 422.510 4.575 50 0 HJAARN COCc1c2ccccc2oc1C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000008345320 568994485 /nfs/dbraw/zinc/99/44/85/568994485.db2.gz YBXQSTSRPQLUSF-UHFFFAOYSA-N 0 0 407.466 4.893 50 0 HJAARN O=C(Nc1nc2ccccc2s1)c1ccc(-n2nncc2-c2cccs2)cc1 ZINC000008346062 568994708 /nfs/dbraw/zinc/99/47/08/568994708.db2.gz QVLZIFHLUFVNQG-UHFFFAOYSA-N 0 0 403.492 4.858 50 0 HJAARN CCc1nnsc1C(=O)Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1 ZINC000008368279 568995510 /nfs/dbraw/zinc/99/55/10/568995510.db2.gz DMYIUISVPSAWLG-UHFFFAOYSA-N 0 0 405.426 4.630 50 0 HJAARN Cc1ccc(C)c(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(Cl)cc2Cl)c1 ZINC000008369894 568995732 /nfs/dbraw/zinc/99/57/32/568995732.db2.gz AIGCLSSSSHMQAP-SFHVURJKSA-N 0 0 404.297 4.877 50 0 HJAARN NC(=O)N[C@H](CC(=O)Nc1ccc2c(c1)CCC2)c1cccc(Oc2ccccc2)c1 ZINC000008378276 568996046 /nfs/dbraw/zinc/99/60/46/568996046.db2.gz FQTHJSUXAPFPMM-HSZRJFAPSA-N 0 0 415.493 4.706 50 0 HJAARN CCC(=O)c1cc(Br)ccc1OCC(=O)N[C@H](C)CCc1ccccc1 ZINC000006085354 568997447 /nfs/dbraw/zinc/99/74/47/568997447.db2.gz XQVVRHRFBXOJSB-OAHLLOKOSA-N 0 0 418.331 4.558 50 0 HJAARN O=C(NCCSc1ccc(Br)cc1)NC12CC3CC(CC(C3)C1)C2 ZINC000006085868 568998099 /nfs/dbraw/zinc/99/80/99/568998099.db2.gz LATGLYDHHAKEEO-UHFFFAOYSA-N 0 0 409.393 4.809 50 0 HJAARN CCN(CC)C(=O)[C@@H](Sc1ncnc2c1cnn2-c1ccccc1)c1ccccc1 ZINC000008394042 568998711 /nfs/dbraw/zinc/99/87/11/568998711.db2.gz SVWFLSWZUFFYTP-FQEVSTJZSA-N 0 0 417.538 4.517 50 0 HJAARN COc1ccc([C@H]2CCCCCN2C(=O)CCNC(=O)c2ccccc2Cl)cc1 ZINC000008394270 568998848 /nfs/dbraw/zinc/99/88/48/568998848.db2.gz HOAFCGKDOVMWLB-OAQYLSRUSA-N 0 0 414.933 4.612 50 0 HJAARN Cc1oc(-c2ccccc2)nc1CN1CCN(C(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000015774888 568999169 /nfs/dbraw/zinc/99/91/69/568999169.db2.gz UGMKUDCHJRSTOR-UHFFFAOYSA-N 0 0 424.932 4.962 50 0 HJAARN Cc1oc(-c2ccccc2)nc1CN1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000015774482 568999294 /nfs/dbraw/zinc/99/92/94/568999294.db2.gz ZSOQQHWEWDYJKV-UHFFFAOYSA-N 0 0 410.905 4.653 50 0 HJAARN COc1ccc(Cn2c(C)c(C[NH2+]Cc3ccc(SC)cc3)c(C(=O)[O-])c2C)cc1 ZINC000015777196 568999576 /nfs/dbraw/zinc/99/95/76/568999576.db2.gz QRYYLSKJATVDPF-UHFFFAOYSA-N 0 0 424.566 4.872 50 0 HJAARN COc1cccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1OCc1ccccc1 ZINC000008399709 568999591 /nfs/dbraw/zinc/99/95/91/568999591.db2.gz HSPJEMYPGDPLRD-UHFFFAOYSA-N 0 0 422.397 4.537 50 0 HJAARN CCCOc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2)cc1 ZINC000035171052 569002154 /nfs/dbraw/zinc/00/21/54/569002154.db2.gz DZMIZUFQUSEGHF-HXUWFJFHSA-N 0 0 403.482 4.587 50 0 HJAARN CCc1cc2c(CSc3nncn3-c3ccc(C)cc3C)cc(=O)oc2cc1O ZINC000006106163 569002954 /nfs/dbraw/zinc/00/29/54/569002954.db2.gz AZKCMHNSXPLWOQ-UHFFFAOYSA-N 0 0 407.495 4.551 50 0 HJAARN Cc1nc(-c2cc(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)c(C)s2)no1 ZINC000085650161 569005611 /nfs/dbraw/zinc/00/56/11/569005611.db2.gz BYIMAGHPKAKTNP-UHFFFAOYSA-N 0 0 408.439 4.513 50 0 HJAARN CCOC(=O)c1[nH]c(C)c(CN(CCc2ccccc2)C(=O)C2CCCCC2)c1C ZINC000085711604 569007366 /nfs/dbraw/zinc/00/73/66/569007366.db2.gz AONHQTPLJKQICM-UHFFFAOYSA-N 0 0 410.558 4.960 50 0 HJAARN COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)/C=C/c1ccccc1Cl ZINC000006212207 569009366 /nfs/dbraw/zinc/00/93/66/569009366.db2.gz CYWYSRPOWSFUMQ-FMIVXFBMSA-N 0 0 401.890 4.841 50 0 HJAARN Cc1c2ccccc2oc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 ZINC000000702557 569009486 /nfs/dbraw/zinc/00/94/86/569009486.db2.gz KUIUWCBEIIJQNL-OAHLLOKOSA-N 0 0 412.511 4.557 50 0 HJAARN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2ccsc2)cc1 ZINC000085878070 569009667 /nfs/dbraw/zinc/00/96/67/569009667.db2.gz QCFXAWIMXVAZBP-OAHLLOKOSA-N 0 0 420.442 4.677 50 0 biogenic HJAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2cc(C(C)(C)C)ccc2O)cc1 ZINC000012852531 569010555 /nfs/dbraw/zinc/01/05/55/569010555.db2.gz JJLAZLFAABTMPU-UHFFFAOYSA-N 0 0 410.543 4.948 50 0 HJAARN Cc1nc(-c2ccc(CCNC(=O)c3ccccc3Br)s2)cs1 ZINC000012852889 569010569 /nfs/dbraw/zinc/01/05/69/569010569.db2.gz FTYBYRSOHQJTFI-UHFFFAOYSA-N 0 0 407.358 4.915 50 0 HJAARN Cc1ccc(NC(=O)C2CCN(c3nc(-c4ccc(Cl)cc4)no3)CC2)cc1C ZINC000015821491 569010695 /nfs/dbraw/zinc/01/06/95/569010695.db2.gz GJMRGNJIRGQKIH-UHFFFAOYSA-N 0 0 410.905 4.862 50 0 HJAARN CCOc1ccccc1NC(=O)COc1cc(CSc2ccccc2)ncc1OC ZINC000015824542 569011276 /nfs/dbraw/zinc/01/12/76/569011276.db2.gz GWHUEDWXVPRIHK-UHFFFAOYSA-N 0 0 424.522 4.799 50 0 HJAARN CCc1cccc(N2C(=O)N(Cc3cccc(C)c3)c3ccccc3S2(=O)=O)c1 ZINC000015827254 569011607 /nfs/dbraw/zinc/01/16/07/569011607.db2.gz RCQHXMKQNCQCJZ-UHFFFAOYSA-N 0 0 406.507 4.893 50 0 HJAARN COc1cc([C@@H]2CC(c3ccccc3)=NN2c2nc(C)cs2)cc(OC)c1OC ZINC000015830447 569011983 /nfs/dbraw/zinc/01/19/83/569011983.db2.gz ZPPXAOLTGJLEJV-SFHVURJKSA-N 0 0 409.511 4.833 50 0 HJAARN COc1ccc(OC)c(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)c1 ZINC000012868503 569012350 /nfs/dbraw/zinc/01/23/50/569012350.db2.gz URTRANDJPTVSRE-UHFFFAOYSA-N 0 0 418.902 4.953 50 0 HJAARN O=C(OCc1ccccc1)c1ccc(Cc2ccc(C(=O)OCc3ccccc3)[nH]2)[nH]1 ZINC000000641950 569012470 /nfs/dbraw/zinc/01/24/70/569012470.db2.gz TXMGFEIZCHXKOY-UHFFFAOYSA-N 0 0 414.461 4.648 50 0 HJAARN Cc1cc(-c2csc(Nc3ccc(C)c(F)c3)n2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000012873634 569013505 /nfs/dbraw/zinc/01/35/05/569013505.db2.gz YHHMNRZPRVMVAR-MRXNPFEDSA-N 0 0 419.547 4.779 50 0 HJAARN C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012875378 569013549 /nfs/dbraw/zinc/01/35/49/569013549.db2.gz MWCSZCYOAHNCCF-LSDHHAIUSA-N 0 0 420.340 4.671 50 0 HJAARN Cc1cccc2cc3c(nc12)N(S(=O)(=O)c1ccc(OC2CCCC2)cc1)CC3 ZINC000015842093 569013739 /nfs/dbraw/zinc/01/37/39/569013739.db2.gz TUQPETZUPQHOCC-UHFFFAOYSA-N 0 0 408.523 4.616 50 0 HJAARN COc1ccc(Br)c(C(=O)NCc2ccc(-c3csc(C)n3)s2)c1 ZINC000012877069 569013764 /nfs/dbraw/zinc/01/37/64/569013764.db2.gz NFRAPOXWUVZBFJ-UHFFFAOYSA-N 0 0 423.357 4.881 50 0 HJAARN CCc1ccc([C@H](C)NC(=O)COC(=O)CCCc2nc3ccccc3s2)cc1 ZINC000006140828 569014299 /nfs/dbraw/zinc/01/42/99/569014299.db2.gz SKXCONALNSYHNB-INIZCTEOSA-N 0 0 410.539 4.602 50 0 HJAARN O=C(CSC1=NC(c2ccccc2)=NCN1c1ccccc1)Nc1ccc(F)cc1 ZINC000015860590 569015372 /nfs/dbraw/zinc/01/53/72/569015372.db2.gz BMAMAHJKHHBDCU-UHFFFAOYSA-N 0 0 418.497 4.778 50 0 HJAARN O=C(Nc1cccc(CCc2nc3ccccc3[nH]2)c1)c1ccc(Br)o1 ZINC000015863613 569016144 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Cc1cccc(NC(=O)c2cccn(Cc3ccc(Br)cc3)c2=O)c1C ZINC000015882899 569019230 /nfs/dbraw/zinc/01/92/30/569019230.db2.gz RHSJIPDLQNIQCG-UHFFFAOYSA-N 0 0 411.299 4.528 50 0 HJAARN O=C(Nc1ccc(-c2nccs2)cc1)c1ccccc1I ZINC000012890691 569019960 /nfs/dbraw/zinc/01/99/60/569019960.db2.gz JCLFQZMXXLWJAU-UHFFFAOYSA-N 0 0 406.248 4.667 50 0 HJAARN COc1ccccc1[C@H](C)N[C@@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000012891283 569020060 /nfs/dbraw/zinc/02/00/60/569020060.db2.gz UDOJVDYYJWRAHT-ROUUACIJSA-N 0 0 402.494 4.604 50 0 HJAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2csc(-c3ccsc3)n2)c1 ZINC000012891631 569020076 /nfs/dbraw/zinc/02/00/76/569020076.db2.gz RTTGIZDBEFTEDM-QGZVFWFLSA-N 0 0 400.525 4.866 50 0 HJAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N(C)Cc1ccc2c(c1)OCO2 ZINC000012897983 569020407 /nfs/dbraw/zinc/02/04/07/569020407.db2.gz JETQNSUEVZOAGV-NSHDSACASA-N 0 0 414.811 4.547 50 0 HJAARN C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N(C)Cc1ccc2c(c1)OCO2 ZINC000012897976 569020420 /nfs/dbraw/zinc/02/04/20/569020420.db2.gz 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Cc1nc(-c2ccccc2Cl)sc1CNC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C ZINC000090593228 569041570 /nfs/dbraw/zinc/04/15/70/569041570.db2.gz MFHLLTRGHKLIFL-BFUOFWGJSA-N 0 0 414.914 4.617 50 0 HJAARN Cn1nc(CNC(=O)C2c3ccccc3Oc3ccccc32)cc1-c1cccs1 ZINC000090607043 569041853 /nfs/dbraw/zinc/04/18/53/569041853.db2.gz FKTDCTYJXAJJAG-UHFFFAOYSA-N 0 0 401.491 4.703 50 0 HJAARN Cn1ccnc1SCC1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 ZINC000090608185 569042276 /nfs/dbraw/zinc/04/22/76/569042276.db2.gz NTLACPLXTOTPHK-UHFFFAOYSA-N 0 0 418.006 4.916 50 0 HJAARN O=C(CN1CCc2ccccc2C1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000035515118 569043348 /nfs/dbraw/zinc/04/33/48/569043348.db2.gz WVFCHOPPDJONJW-JOCHJYFZSA-N 0 0 419.912 4.669 50 0 HJAARN C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000006328655 569043384 /nfs/dbraw/zinc/04/33/84/569043384.db2.gz HOMGEDWTWIPJEG-INIZCTEOSA-N 0 0 404.897 4.961 50 0 HJAARN O=C(c1ccc(OC[C@H]2CCCN(C(=O)C3CCCCC3)C2)cc1)N1CCCCC1 ZINC000035528165 569044011 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Cc1cc(NC(=O)CSc2ncnc3cc(-c4ccc(F)cc4)sc32)no1 ZINC000006364591 569045972 /nfs/dbraw/zinc/04/59/72/569045972.db2.gz DCSLYGDSDCXJSM-UHFFFAOYSA-N 0 0 400.460 4.525 50 0 HJAARN O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1ccc(OC(F)(F)F)cc1 ZINC000006382882 569046270 /nfs/dbraw/zinc/04/62/70/569046270.db2.gz NDMGLXFZMSPGEL-UHFFFAOYSA-N 0 0 401.797 4.846 50 0 HJAARN CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(O[C@@H](C)CC)cc2)cc1 ZINC000006386403 569046308 /nfs/dbraw/zinc/04/63/08/569046308.db2.gz BHGAKBDCZVDWGJ-HNNXBMFYSA-N 0 0 413.543 4.729 50 0 HJAARN Cc1cccc(Oc2ccccc2NC(=O)Cc2csc(NC(=O)C3CC3)n2)c1 ZINC000012980429 569046333 /nfs/dbraw/zinc/04/63/33/569046333.db2.gz VWTBKLWIWUUJNB-UHFFFAOYSA-N 0 0 407.495 4.774 50 0 HJAARN COc1ccc(N2C(=S)N=NC2CCCOc2ccc(Cl)cc2C)c(OC)c1 ZINC000006399970 569046720 /nfs/dbraw/zinc/04/67/20/569046720.db2.gz FBBLPZJOXDJTKS-UHFFFAOYSA-N 0 0 419.934 4.547 50 0 HJAARN CC(C)=C[C@H]1[C@H](C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)C1(C)C ZINC000012987804 569047490 /nfs/dbraw/zinc/04/74/90/569047490.db2.gz ABQBIWXPMGCECP-NZQKXSOJSA-N 0 0 415.537 4.690 50 0 HJAARN Cc1ccc(C2N=NC(=S)N2CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000012988802 569047559 /nfs/dbraw/zinc/04/75/59/569047559.db2.gz XPNFKVNAJFXHME-UHFFFAOYSA-N 0 0 421.353 4.508 50 0 HJAARN COC(=O)Nc1ccc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)cc1 ZINC000012984762 569047699 /nfs/dbraw/zinc/04/76/99/569047699.db2.gz TZLKUHCONHVGTG-UHFFFAOYSA-N 0 0 419.268 4.669 50 0 HJAARN Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2F)cc1 ZINC000040155085 569048133 /nfs/dbraw/zinc/04/81/33/569048133.db2.gz LCBCEYFAOZZEHW-XNTDXEJSSA-N 0 0 424.497 4.895 50 0 HJAARN Cc1ccc([C@@H](NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)c2ccccc2)cc1C ZINC000012998492 569048900 /nfs/dbraw/zinc/04/89/00/569048900.db2.gz HBJJBRPMUSQLKX-VWNXMTODSA-N 0 0 416.521 4.654 50 0 HJAARN CCc1nc2sc(C(=O)N(CC)Cc3ccc(OC)c(F)c3)c(C)c2c(C)n1 ZINC000012999302 569049138 /nfs/dbraw/zinc/04/91/38/569049138.db2.gz MYRXYCRRMUXPQR-UHFFFAOYSA-N 0 0 401.507 4.681 50 0 HJAARN CC(C)CC(=O)Nc1ccc(C(=O)COC(=O)CCSc2ccc(F)cc2)cc1 ZINC000006432002 569050443 /nfs/dbraw/zinc/05/04/43/569050443.db2.gz DNTTXHUUCZFSFE-UHFFFAOYSA-N 0 0 417.502 4.719 50 0 HJAARN C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCN(C(=O)CCC2CCCC2)CC1 ZINC000013018998 569051047 /nfs/dbraw/zinc/05/10/47/569051047.db2.gz ZVAGLILCRKGWTJ-INIZCTEOSA-N 0 0 416.953 4.566 50 0 HJAARN O=C(CSc1nncn1-c1cccc(Cl)c1)Nc1ccc2c3c(cccc31)CC2 ZINC000026640449 569052080 /nfs/dbraw/zinc/05/20/80/569052080.db2.gz GZSVWOAGBUNSLV-UHFFFAOYSA-N 0 0 420.925 4.903 50 0 HJAARN COc1ccc(-c2nc(NC(=O)c3ccccc3OC[C@@H]3CCCO3)sc2C)cc1 ZINC000016468555 569052742 /nfs/dbraw/zinc/05/27/42/569052742.db2.gz GFTGCROGRATIDI-SFHVURJKSA-N 0 0 424.522 4.937 50 0 HJAARN CCCCc1ccc(NC(=O)Cn2nnc3sc(-c4ccccc4)cc3c2=O)cc1 ZINC000001784873 569052965 /nfs/dbraw/zinc/05/29/65/569052965.db2.gz WEZLKJCKIYPSJS-UHFFFAOYSA-N 0 0 418.522 4.501 50 0 HJAARN COc1ccc([C@@H](NC(=O)c2sc3ccccc3c2Cl)c2nccn2C)cc1 ZINC000016472908 569053413 /nfs/dbraw/zinc/05/34/13/569053413.db2.gz FAMWPMZVLJVRIN-GOSISDBHSA-N 0 0 411.914 4.816 50 0 HJAARN O=C(CSc1nnc2c(Cl)cc(Cl)cn12)Nc1ccc(F)cc1Cl ZINC000006453274 569053534 /nfs/dbraw/zinc/05/35/34/569053534.db2.gz ACAKNVKMTUOPAX-UHFFFAOYSA-N 0 0 405.669 4.559 50 0 HJAARN Cc1c(Cl)cccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@@H]2C1=O ZINC000136402683 569053683 /nfs/dbraw/zinc/05/36/83/569053683.db2.gz BSNNENDIYSJYIY-SLFFLAALSA-N 0 0 424.909 4.761 50 0 HJAARN C[C@@H]1C[C@@H](C)C[C@H](C)N1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 ZINC000239297307 569054095 /nfs/dbraw/zinc/05/40/95/569054095.db2.gz FAEDTXFSFBXMCZ-MBZOWXSBSA-N 0 0 420.479 5.193 50 0 HJAARN O=c1nc(CN2CC[C@H]3CCCC[C@H]3C2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000239296765 569054107 /nfs/dbraw/zinc/05/41/07/569054107.db2.gz DGNAVYCUSZQRHE-CABCVRRESA-N 0 0 413.974 5.729 50 0 HJAARN O=CN(CCCC[C@@H]1C(=O)N[C@@H]2CCCC[C@@H]2[C@H]1c1ccccc1)c1ccccc1 ZINC000239309577 569054161 /nfs/dbraw/zinc/05/41/61/569054161.db2.gz HSUJEVIVQKZGOF-CXSMSNRLSA-N 0 0 404.554 4.908 50 0 HJAARN Cc1ccc(N2C(=O)CC[C@H](C(=O)OC[C@H]3CCCCO3)[C@H]2c2cccs2)cc1 ZINC000245225354 569055180 /nfs/dbraw/zinc/05/51/80/569055180.db2.gz SXVNDXPNDWOTIV-DXIQSLLYSA-N 0 0 413.539 4.653 50 0 HJAARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(C(=O)c2cccs2)C(C)C)o1 ZINC000035765833 569058057 /nfs/dbraw/zinc/05/80/57/569058057.db2.gz NMVHBDYVMFQPDL-UHFFFAOYSA-N 0 0 410.539 4.729 50 0 HJAARN O=C(Nc1ccccc1)c1cccc(NC2=C(Cl)C(=O)N(C3CCCCC3)C2=O)c1 ZINC000001954164 569059919 /nfs/dbraw/zinc/05/99/19/569059919.db2.gz SLSOTMQALHWRLR-UHFFFAOYSA-N 0 0 423.900 4.503 50 0 HJAARN O=C(COC(=O)c1ccccc1Br)Nc1cccc(Cl)c1Cl ZINC000001973162 569060055 /nfs/dbraw/zinc/06/00/55/569060055.db2.gz PCRWKDICKXJTSO-UHFFFAOYSA-N 0 0 403.059 4.551 50 0 HJAARN CCN(C(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)c1nc2ccccc2s1 ZINC000026908400 569060072 /nfs/dbraw/zinc/06/00/72/569060072.db2.gz INOCTHHFHXKXIN-UHFFFAOYSA-N 0 0 422.506 4.705 50 0 HJAARN COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000016591635 569060124 /nfs/dbraw/zinc/06/01/24/569060124.db2.gz XVCZYIFVWVQIPK-YLJYHZDGSA-N 0 0 406.448 4.958 50 0 HJAARN COc1ccc(C(=O)Oc2ccc3c(c2)oc(=O)cc3-c2ccc(OC)cc2)cc1 ZINC000001110993 569060262 /nfs/dbraw/zinc/06/02/62/569060262.db2.gz UNACALOTRMBTEN-UHFFFAOYSA-N 0 0 402.402 4.696 50 0 biogenic HJAARN O=C(COc1c(=O)c2ccccc2oc1-c1ccc(Cl)cc1)N1CCCCCC1 ZINC000001994355 569060369 /nfs/dbraw/zinc/06/03/69/569060369.db2.gz RZLGCSGGFHNVEO-UHFFFAOYSA-N 0 0 411.885 4.895 50 0 HJAARN CCCCN1C(=O)CC[C@@H](C(=O)NC2CCCCCC2)[C@@H]1c1ccc(OC)cc1 ZINC000006508694 569061887 /nfs/dbraw/zinc/06/18/87/569061887.db2.gz OJUNXKVLFVZVPY-GGAORHGYSA-N 0 0 400.563 4.614 50 0 HJAARN C[C@@H](Sc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000006509531 569061950 /nfs/dbraw/zinc/06/19/50/569061950.db2.gz QNLSCGMNMVTNGD-SECBINFHSA-N 0 0 402.825 4.577 50 0 HJAARN O=C(Nc1ccc(F)c(Cl)c1)N1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000064450056 569062757 /nfs/dbraw/zinc/06/27/57/569062757.db2.gz BSXQCQVNLFFQPI-UHFFFAOYSA-N 0 0 423.879 4.634 50 0 HJAARN CCc1ccc(NC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3)C2)cc1 ZINC000064452419 569062912 /nfs/dbraw/zinc/06/29/12/569062912.db2.gz CQVGNJYWSHLJBC-IBGZPJMESA-N 0 0 402.498 4.686 50 0 HJAARN O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(c2nccnc2Oc2ccccc2)C1 ZINC000064452415 569062938 /nfs/dbraw/zinc/06/29/38/569062938.db2.gz GQEQDDHJBWIFMA-MRXNPFEDSA-N 0 0 408.889 4.777 50 0 HJAARN Cc1nn(C)c(C)c1CN(C)C(=O)c1cc(-c2cccnc2)nc2ccc(Cl)cc21 ZINC000006526181 569063182 /nfs/dbraw/zinc/06/31/82/569063182.db2.gz NGMTZQPKHTZMFY-UHFFFAOYSA-N 0 0 419.916 4.573 50 0 HJAARN COC(=O)c1cc(C)sc1NC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000006527764 569063202 /nfs/dbraw/zinc/06/32/02/569063202.db2.gz PYVQLYWPMBKZGG-UHFFFAOYSA-N 0 0 403.463 4.706 50 0 HJAARN O=C(Nc1ccc(Cl)cc1)N1CCCN(c2nc3ccccc3n3cccc23)CC1 ZINC000064473184 569063716 /nfs/dbraw/zinc/06/37/16/569063716.db2.gz MUBUCSJPQFXOTK-UHFFFAOYSA-N 0 0 419.916 4.885 50 0 HJAARN O=C(Nc1ccc(F)cc1F)N1CCCN(c2nc3ccccc3n3cccc23)CC1 ZINC000064473230 569063741 /nfs/dbraw/zinc/06/37/41/569063741.db2.gz YUSSUPJSFOEQBL-UHFFFAOYSA-N 0 0 421.451 4.510 50 0 HJAARN C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000006531994 569064131 /nfs/dbraw/zinc/06/41/31/569064131.db2.gz XHPWRHFCTNCPAL-IRXDYDNUSA-N 0 0 418.566 4.662 50 0 HJAARN Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 ZINC000006531946 569064151 /nfs/dbraw/zinc/06/41/51/569064151.db2.gz DACFESMOXZXNLZ-UHFFFAOYSA-N 0 0 402.523 4.969 50 0 HJAARN O=C(NCc1cccc(F)c1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCCC[C@H]12 ZINC000035871870 569064169 /nfs/dbraw/zinc/06/41/69/569064169.db2.gz SKFJVLGXLIEBGA-UYAOXDASSA-N 0 0 406.423 4.692 50 0 HJAARN C[C@@H]1Oc2ccc(NC(=O)c3ccccc3F)cc2CN(Cc2ccccc2F)C1=O ZINC000035884543 569064581 /nfs/dbraw/zinc/06/45/81/569064581.db2.gz YUPTVFHTGRYUGN-HNNXBMFYSA-N 0 0 422.431 4.527 50 0 HJAARN C[C@@H](c1ccc(F)cc1)N1Cc2cc(NC(=O)Nc3ccccc3)ccc2OCC1=O ZINC000035909982 569065872 /nfs/dbraw/zinc/06/58/72/569065872.db2.gz SUTBGBYTVCSFOW-INIZCTEOSA-N 0 0 419.456 4.952 50 0 HJAARN Cc1ccccc1NC(=O)Cc1nc(COC(=O)C23CC4CC(CC(C4)C2)C3)cs1 ZINC000006560759 569066077 /nfs/dbraw/zinc/06/60/77/569066077.db2.gz DTZYTUNJOBFQOZ-UHFFFAOYSA-N 0 0 424.566 4.892 50 0 HJAARN COCCn1c2ccccc2nc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000006567142 569066385 /nfs/dbraw/zinc/06/63/85/569066385.db2.gz ZBLWOAYPAINITM-UHFFFAOYSA-N 0 0 410.326 4.720 50 0 HJAARN COc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2cccc(F)c2)cc1 ZINC000035926954 569066470 /nfs/dbraw/zinc/06/64/70/569066470.db2.gz UCNROIHTFJYUJP-HSZRJFAPSA-N 0 0 422.481 4.865 50 0 HJAARN Cc1ccc(COCc2nn(C)c3c2CN(C(=O)Nc2cc(C)cc(C)c2)CC3)cc1 ZINC000064565879 569067074 /nfs/dbraw/zinc/06/70/74/569067074.db2.gz ODMKQHQVEWHKGV-UHFFFAOYSA-N 0 0 418.541 4.652 50 0 HJAARN O=S(=O)(NC[C@H](Nc1ccccc1F)c1ccccc1)c1ccc(Cl)s1 ZINC000006600120 569069249 /nfs/dbraw/zinc/06/92/49/569069249.db2.gz RHICNKUSQAJTFC-INIZCTEOSA-N 0 0 410.923 4.672 50 0 HJAARN Cc1sc2ncnc(SCC(=O)N(C)Cc3c(F)cccc3Cl)c2c1C ZINC000006602158 569069821 /nfs/dbraw/zinc/06/98/21/569069821.db2.gz ZHMFTRMVOJSDAC-UHFFFAOYSA-N 0 0 409.939 4.851 50 0 HJAARN COc1cc(Cl)c(C)cc1NC(=O)CNc1cccc2c1CN(c1ccccn1)C2 ZINC000089570396 569070441 /nfs/dbraw/zinc/07/04/41/569070441.db2.gz PSDVJQLLLSQIRK-UHFFFAOYSA-N 0 0 422.916 4.623 50 0 HJAARN CCc1nc2sc([C@@H](c3cccc(C(F)(F)F)c3)[N@@H+]3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000016690051 569070560 /nfs/dbraw/zinc/07/05/60/569070560.db2.gz MZUKNHVZUQMFLD-MLGOLLRUSA-N 0 0 424.492 4.899 50 0 HJAARN COc1ccc(-c2c(C)c3ccc4c(c3oc2=O)CN(Cc2ccncc2)CO4)cc1 ZINC000054313565 569070743 /nfs/dbraw/zinc/07/07/43/569070743.db2.gz PIGUMLRAUDONQW-UHFFFAOYSA-N 0 0 414.461 4.524 50 0 HJAARN O=C(COC(=O)C1C2CC3CC(C2)CC1C3)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000006604812 569071033 /nfs/dbraw/zinc/07/10/33/569071033.db2.gz GEBVOPXKWDXWKS-UHFFFAOYSA-N 0 0 417.505 4.737 50 0 HJAARN Cc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)c(C)c1 ZINC000006606854 569071490 /nfs/dbraw/zinc/07/14/90/569071490.db2.gz ZQKNNBSKYOCOGC-UHFFFAOYSA-N 0 0 408.523 4.689 50 0 HJAARN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(=O)C1CC1 ZINC000035980661 569071889 /nfs/dbraw/zinc/07/18/89/569071889.db2.gz QDENGKVHNAETIG-UHFFFAOYSA-N 0 0 419.525 4.573 50 0 HJAARN CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(C(=O)c2ccccc2Cl)C(C)C)c1C ZINC000035993265 569074804 /nfs/dbraw/zinc/07/48/04/569074804.db2.gz MOTXSESBGVFQOP-OAHLLOKOSA-N 0 0 418.921 4.584 50 0 HJAARN CCc1ccc(NC(=O)COC(=O)COc2ccc(Nc3ccccc3)cc2)cc1 ZINC000006619755 569074814 /nfs/dbraw/zinc/07/48/14/569074814.db2.gz NJRDGAVZIOXIHF-UHFFFAOYSA-N 0 0 404.466 4.553 50 0 HJAARN CCOC(=O)c1[nH]c(C)c(C(=O)CN(C(=O)c2cccs2)C2CCCCC2)c1C ZINC000036000951 569074990 /nfs/dbraw/zinc/07/49/90/569074990.db2.gz HSYMIUZSHURNBP-UHFFFAOYSA-N 0 0 416.543 4.528 50 0 HJAARN COc1ccc(OC)c(NC(=O)Cc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)c1 ZINC000006623835 569075325 /nfs/dbraw/zinc/07/53/25/569075325.db2.gz LRRIRRZQGBDTEH-UHFFFAOYSA-N 0 0 421.449 4.663 50 0 biogenic HJAARN COc1ccc(NC(=O)Cc2c(C)c3cc4c(C)c(C)oc4c(C)c3oc2=O)cc1 ZINC000006623840 569075330 /nfs/dbraw/zinc/07/53/30/569075330.db2.gz YJAZXGDFJOIFNL-UHFFFAOYSA-N 0 0 405.450 4.963 50 0 biogenic HJAARN Cc1ccc(N(C)c2nc(-c3ccc(F)cc3)ncc2C(=O)N2CCCCC2)cc1 ZINC000036003201 569075546 /nfs/dbraw/zinc/07/55/46/569075546.db2.gz MTZMQZZADXMDAK-UHFFFAOYSA-N 0 0 404.489 4.985 50 0 HJAARN CCN(CC)C(=O)CCN(CC(C)C)C(=O)c1cc(-c2c(C)cc(C)cc2C)on1 ZINC000036015888 569076631 /nfs/dbraw/zinc/07/66/31/569076631.db2.gz MFKZEBSUWSFFHZ-UHFFFAOYSA-N 0 0 413.562 4.624 50 0 HJAARN Cc1cccc(C(=O)N2[C@@H](C(=O)N[C@@H](C)c3ccccc3)COC23CCC(C)CC3)c1 ZINC000036018126 569077028 /nfs/dbraw/zinc/07/70/28/569077028.db2.gz ALEITJPGBXWUFN-CSBWJILNSA-N 0 0 420.553 4.620 50 0 HJAARN Cc1cccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2ccc(F)cc2F)c1 ZINC000064657029 569077078 /nfs/dbraw/zinc/07/70/78/569077078.db2.gz UVLAPLORKBRJFF-HNNXBMFYSA-N 0 0 419.474 4.642 50 0 HJAARN COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccccc2)cc1 ZINC000006638083 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RRSCQUAXEOWYPQ-UHFFFAOYSA-N 0 0 408.911 4.674 50 0 HJAARN Cc1cc(N2CCCC2)ccc1NC(=O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000006790789 569124646 /nfs/dbraw/zinc/12/46/46/569124646.db2.gz XMXSWMUKSUNSML-UHFFFAOYSA-N 0 0 414.505 4.844 50 0 HJAARN O=C(CSCc1cnn(-c2ccccc2)c1-n1cccc1)Nc1ccccc1F ZINC000006796561 569125080 /nfs/dbraw/zinc/12/50/80/569125080.db2.gz GOYXRKKPBMLMIW-UHFFFAOYSA-N 0 0 406.486 4.674 50 0 HJAARN CCN1c2cc(NC(=O)NCCCOC(C)C)ccc2Sc2ccccc2C1=O ZINC000006796409 569125090 /nfs/dbraw/zinc/12/50/90/569125090.db2.gz FLGYVBDVCDTWKW-UHFFFAOYSA-N 0 0 413.543 4.755 50 0 HJAARN COc1ccccc1CNC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCCC1)O3 ZINC000006793718 569125301 /nfs/dbraw/zinc/12/53/01/569125301.db2.gz CPXMQFQFUCKJQA-UHFFFAOYSA-N 0 0 419.477 4.958 50 0 biogenic HJAARN O=C([O-])c1c(C[NH2+]CCc2cccs2)c2ccccc2n1Cc1cccc(F)c1 ZINC000006794229 569125508 /nfs/dbraw/zinc/12/55/08/569125508.db2.gz IGVWKEZAIPMRGB-UHFFFAOYSA-N 0 0 408.498 4.921 50 0 HJAARN CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)n1c2ccccc2c2nc(=O)cc(C)n21 ZINC000006795446 569125836 /nfs/dbraw/zinc/12/58/36/569125836.db2.gz QWBFMYIRSGXEIE-HXUWFJFHSA-N 0 0 402.498 4.671 50 0 HJAARN CC[C@@H](C(=O)N(C)Cc1ccccc1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000006799210 569126275 /nfs/dbraw/zinc/12/62/75/569126275.db2.gz SSLNLPNBZSPTSG-SFHVURJKSA-N 0 0 405.523 4.529 50 0 aggregator HJAARN COc1ccc(CNc2ccc(SCC(=O)Nc3ccc(C(C)C)cc3)nn2)cc1 ZINC000064944793 569128215 /nfs/dbraw/zinc/12/82/15/569128215.db2.gz QVHCKXSKGAPYQS-UHFFFAOYSA-N 0 0 422.554 4.952 50 0 HJAARN CC(C)c1cc(N2CCCC2)nc(SCc2cccc(C(=O)N3CCCC3)c2)n1 ZINC000006802227 569129786 /nfs/dbraw/zinc/12/97/86/569129786.db2.gz ANFIKEZHOPEISK-UHFFFAOYSA-N 0 0 410.587 4.729 50 0 HJAARN CCOC(=O)c1ccc(NC(=O)c2ccc3nc(N4CCCCC4)sc3c2)cc1 ZINC000006806230 569130951 /nfs/dbraw/zinc/13/09/51/569130951.db2.gz USWQMBOZBMYSDR-UHFFFAOYSA-N 0 0 409.511 4.716 50 0 HJAARN CCOc1ccc(CC[NH2+]Cc2c(C)n(Cc3ccc(C)cc3)c(C)c2C(=O)[O-])cc1 ZINC000006806736 569131123 /nfs/dbraw/zinc/13/11/23/569131123.db2.gz NYKXVDSRRDPXFA-UHFFFAOYSA-N 0 0 420.553 4.891 50 0 HJAARN Cc1nnc(SCc2nc(-c3ccc(Cl)cc3)no2)n1-c1ccc(F)cc1 ZINC000006804372 569131288 /nfs/dbraw/zinc/13/12/88/569131288.db2.gz SGEJRPXLXMYFJR-UHFFFAOYSA-N 0 0 401.854 4.711 50 0 HJAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000006807731 569131963 /nfs/dbraw/zinc/13/19/63/569131963.db2.gz WWEDHJHBXGAYIR-LJQANCHMSA-N 0 0 414.509 4.621 50 0 HJAARN CC[C@@]1(C)CC(=O)c2c3c(C)c(C(=O)Nc4ccccc4C(=O)OC)oc3ccc2O1 ZINC000006808080 569132458 /nfs/dbraw/zinc/13/24/58/569132458.db2.gz LYTOKXOUFILEMA-DEOSSOPVSA-N 0 0 421.449 4.914 50 0 HJAARN O=C(CN1C(=O)C(c2ccccc2)=NC12CCCCCC2)Nc1ccc(Cl)cc1 ZINC000006808706 569132907 /nfs/dbraw/zinc/13/29/07/569132907.db2.gz MFRIDIFDGULWMU-UHFFFAOYSA-N 0 0 409.917 4.661 50 0 HJAARN Cc1nn2c(nc(C)c(CC(=O)NCc3ccc(Cl)cc3)c2C)c1-c1ccccc1 ZINC000006808859 569132990 /nfs/dbraw/zinc/13/29/90/569132990.db2.gz QUISSOQJQXVRGI-UHFFFAOYSA-N 0 0 418.928 4.834 50 0 HJAARN COc1ccc(OCC(=O)Oc2cc3sc(=O)oc3c(-c3ccccc3)c2)cc1 ZINC000006809649 569133601 /nfs/dbraw/zinc/13/36/01/569133601.db2.gz IYWJCDLCSROCOJ-UHFFFAOYSA-N 0 0 408.431 4.515 50 0 HJAARN COc1ccc([C@@H](C)NC(=O)c2ccc3cnn(Cc4ccc(F)cc4)c3c2)cc1 ZINC000064955844 569133726 /nfs/dbraw/zinc/13/37/26/569133726.db2.gz OFPMMFFWDICFKL-MRXNPFEDSA-N 0 0 403.457 4.723 50 0 HJAARN COc1cc(CO[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3Cl)C2)cc(OC)c1 ZINC000036315566 569134319 /nfs/dbraw/zinc/13/43/19/569134319.db2.gz YOTJQAHJXWLUTJ-MRXNPFEDSA-N 0 0 424.324 4.832 50 0 HJAARN Cc1cccc(-c2cc(OC(=O)COc3ccc(F)cc3)cc3sc(=O)oc32)c1 ZINC000006809712 569134496 /nfs/dbraw/zinc/13/44/96/569134496.db2.gz ATLHGHUSCMZOGW-UHFFFAOYSA-N 0 0 410.422 4.953 50 0 HJAARN COc1ccc(C(=O)Oc2cc3sc(=O)oc3c(-c3cccc(OC)c3)c2)cc1 ZINC000006809718 569134512 /nfs/dbraw/zinc/13/45/12/569134512.db2.gz CVNSUOLPZPPCEO-UHFFFAOYSA-N 0 0 408.431 4.758 50 0 HJAARN Cc1ccc(NC(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1F ZINC000064969131 569138199 /nfs/dbraw/zinc/13/81/99/569138199.db2.gz AYJWCUUOSBPZOY-UHFFFAOYSA-N 0 0 403.457 4.659 50 0 HJAARN Cc1cn2c(nc(COc3ccc(C)cc3NC(=O)c3cccc(C)c3)cc2=O)s1 ZINC000064976845 569139878 /nfs/dbraw/zinc/13/98/78/569139878.db2.gz BLWIEAQUXGLRGO-UHFFFAOYSA-N 0 0 419.506 4.513 50 0 HJAARN CCOc1ccc2nc(N3CCC(C(=O)Nc4ccc(C(C)=O)cc4)CC3)sc2c1 ZINC000006821045 569140463 /nfs/dbraw/zinc/14/04/63/569140463.db2.gz CWTUCBCHVFCZTQ-UHFFFAOYSA-N 0 0 423.538 4.753 50 0 HJAARN Cc1ccc(C)c(C2=NN(C(=O)CN3CCC(C)CC3)[C@@H](c3ccccc3F)C2)c1 ZINC000036345512 569143259 /nfs/dbraw/zinc/14/32/59/569143259.db2.gz MHSZOEQBTQFJKF-XMMPIXPASA-N 0 0 407.533 4.852 50 0 HJAARN CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(C)cc2)cc1 ZINC000006830066 569143840 /nfs/dbraw/zinc/14/38/40/569143840.db2.gz XVWUWHAWDCFWQC-RBNQXFGJSA-N 0 0 412.555 4.600 50 0 HJAARN COc1ccc([C@@H]2c3cccn3CCCN2Cc2ccc(OC)c(OC)c2OC)cc1 ZINC000036347584 569144264 /nfs/dbraw/zinc/14/42/64/569144264.db2.gz SQKAYWZMPCAEGP-HSZRJFAPSA-N 0 0 422.525 4.518 50 0 HJAARN Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3cc(N4CCCCC4)ncn3)cc2)cc1 ZINC000064989384 569145865 /nfs/dbraw/zinc/14/58/65/569145865.db2.gz PHUKRSFUUHTFBB-LJQANCHMSA-N 0 0 400.526 4.933 50 0 HJAARN Cc1cccc(C(=O)N2CCc3ccc(CNC(=O)Cc4ccccc4Cl)cc32)c1 ZINC000064990101 569146317 /nfs/dbraw/zinc/14/63/17/569146317.db2.gz LKYCOLBITWYQOQ-UHFFFAOYSA-N 0 0 418.924 4.710 50 0 HJAARN COc1ccc(C(=O)N2c3cc(CNC(=O)c4ccccc4C)ccc3C[C@H]2C)cc1 ZINC000064990177 569146319 /nfs/dbraw/zinc/14/63/19/569146319.db2.gz OVDXZTBHZWCALU-GOSISDBHSA-N 0 0 414.505 4.525 50 0 HJAARN COc1ccc(-n2cnc3c2NC(=O)C[C@@H]3c2ccc(OC)c(OC(C)C)c2)cc1 ZINC000036353206 569147704 /nfs/dbraw/zinc/14/77/04/569147704.db2.gz AALPPSPTJOXDPF-GOSISDBHSA-N 0 0 407.470 4.800 50 0 HJAARN CCCC[C@@H](CC)C(=O)Nc1nnc(SCC(=O)c2cccc(OC)c2)s1 ZINC000006836478 569148087 /nfs/dbraw/zinc/14/80/87/569148087.db2.gz DPNPWVHCDVTXII-CYBMUJFWSA-N 0 0 407.561 4.677 50 0 HJAARN CCOc1ccc(CCNC(=O)Cc2csc(-c3ccccc3)n2)cc1OCC ZINC000006832538 569147992 /nfs/dbraw/zinc/14/79/92/569147992.db2.gz APBJVMMXQHOQTH-UHFFFAOYSA-N 0 0 410.539 4.509 50 0 HJAARN COc1ccc(CNC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)cc1 ZINC000006832185 569148061 /nfs/dbraw/zinc/14/80/61/569148061.db2.gz GBQIVOUVHSZJKP-UHFFFAOYSA-N 0 0 405.281 4.554 50 0 HJAARN COc1nc(-c2ccccc2F)n(-c2ccc(NC(=O)c3ccc(C)cc3)cc2)n1 ZINC000006833684 569148333 /nfs/dbraw/zinc/14/83/33/569148333.db2.gz VJVLYEAPSJSMKZ-UHFFFAOYSA-N 0 0 402.429 4.643 50 0 HJAARN CCC[C@H](Sc1nnc(NC(=O)c2cccc3ccccc32)s1)C(=O)OCC ZINC000006839062 569150156 /nfs/dbraw/zinc/15/01/56/569150156.db2.gz UXPMMLSBSDMQKW-INIZCTEOSA-N 0 0 415.540 4.768 50 0 HJAARN CCN(C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3)c1ccc(C)c(C)c1 ZINC000006840575 569150982 /nfs/dbraw/zinc/15/09/82/569150982.db2.gz RFQCQBFUWWHJLC-UHFFFAOYSA-N 0 0 409.555 4.776 50 0 HJAARN COc1ccc(-n2cnc3c2NC(=O)C[C@@H]3c2cccc(OC)c2OC(C)C)cc1 ZINC000036359985 569151724 /nfs/dbraw/zinc/15/17/24/569151724.db2.gz SDYOJNVDZMDDPO-GOSISDBHSA-N 0 0 407.470 4.800 50 0 HJAARN O=S(=O)(N[C@H]1CCCc2ccccc21)c1ccc(-c2cnc(C3CC3)o2)s1 ZINC000065004138 569152279 /nfs/dbraw/zinc/15/22/79/569152279.db2.gz SONOTZQCNJNJMS-INIZCTEOSA-N 0 0 400.525 4.636 50 0 HJAARN CN(C)C(=O)[C@H](OC(=O)c1cc(-c2cccs2)nc2ccccc21)c1ccccc1 ZINC000006847307 569153881 /nfs/dbraw/zinc/15/38/81/569153881.db2.gz JSDQORDETAWEQW-JOCHJYFZSA-N 0 0 416.502 4.950 50 0 HJAARN Cc1ccc(-c2cnc(N3CCC[C@H](C(=O)Nc4ccc(Cl)cc4)C3)nc2)cc1 ZINC000065023351 569154849 /nfs/dbraw/zinc/15/48/49/569154849.db2.gz CQCWNPSVCUVLOZ-SFHVURJKSA-N 0 0 406.917 4.961 50 0 HJAARN Cc1ccc(CNC(=O)c2nc3c4ccccc4oc3c(N3CCCCC3)n2)cc1 ZINC000065025008 569156086 /nfs/dbraw/zinc/15/60/86/569156086.db2.gz WYXSPPOHEPNLBC-UHFFFAOYSA-N 0 0 400.482 4.605 50 0 HJAARN COc1ccc(CNC(=O)c2ccc(-c3cnc(NC4CCCCC4)nc3)cc2)cc1 ZINC000065025593 569156399 /nfs/dbraw/zinc/15/63/99/569156399.db2.gz JHNDIPAKROAWAC-UHFFFAOYSA-N 0 0 416.525 4.827 50 0 biogenic HJAARN O=C(NCCc1ccccc1)c1cccc(-c2cnc(NC3CCCCC3)nc2)c1 ZINC000065025797 569156496 /nfs/dbraw/zinc/15/64/96/569156496.db2.gz GSBDQBOMVFHWQX-UHFFFAOYSA-N 0 0 400.526 4.861 50 0 HJAARN Cc1ccc([C@H](C)NC(=O)c2cccc(-c3cnc(N4CCCCC4)nc3)c2)cc1 ZINC000065025758 569156537 /nfs/dbraw/zinc/15/65/37/569156537.db2.gz IMYIGQHJQXMBQG-IBGZPJMESA-N 0 0 400.526 4.933 50 0 HJAARN COc1cc(NC(=O)Nc2cc(F)c3nc(N4CCCC4)ccc3c2)cc(OC)c1 ZINC000065029710 569156615 /nfs/dbraw/zinc/15/66/15/569156615.db2.gz BICXIMBUMQGTMM-UHFFFAOYSA-N 0 0 410.449 4.635 50 0 HJAARN CCN(CC)C(=O)Cn1cc(SCC(=O)Nc2ccc(C)cc2C)c2ccccc21 ZINC000006867045 569159735 /nfs/dbraw/zinc/15/97/35/569159735.db2.gz XQDGCWBLFLYOID-UHFFFAOYSA-N 0 0 423.582 4.857 50 0 HJAARN O=C(CCCSc1nncn1-c1ccccc1)c1ccc(Br)cc1 ZINC000006867207 569159742 /nfs/dbraw/zinc/15/97/42/569159742.db2.gz VWXNIRFIJHXDFH-UHFFFAOYSA-N 0 0 402.317 4.785 50 0 HJAARN CCOc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccccc3)no2)cc1OCC ZINC000169754631 569161097 /nfs/dbraw/zinc/16/10/97/569161097.db2.gz BBCHHJCOKOFJFI-SFHVURJKSA-N 0 0 407.470 4.511 50 0 HJAARN Clc1ccc([C@H]2Cn3nnc(-c4nc(-c5cccc(Cl)c5)no4)c3CO2)cc1 ZINC000169759052 569161247 /nfs/dbraw/zinc/16/12/47/569161247.db2.gz UGPJTPRBLJKXFD-MRXNPFEDSA-N 0 0 414.252 4.573 50 0 HJAARN CCOc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NC(=O)C(C)C)cc2)n1 ZINC000006872127 569162237 /nfs/dbraw/zinc/16/22/37/569162237.db2.gz NRHGQOLNMWZQOY-UHFFFAOYSA-N 0 0 418.419 4.946 50 0 HJAARN COc1ccc(C2=NO[C@H](CN(Cc3ccccc3F)C(=O)C3CCCC3)C2)cc1 ZINC000006872672 569162300 /nfs/dbraw/zinc/16/23/00/569162300.db2.gz RAPKOTQHWVWGCA-NRFANRHFSA-N 0 0 410.489 4.546 50 0 HJAARN COc1ccc(C2=NO[C@@H](CN(Cc3ccccc3Cl)C(=O)C(C)C)C2)cc1 ZINC000006873152 569162332 /nfs/dbraw/zinc/16/23/32/569162332.db2.gz OIBLZCTWIXFKKV-LJQANCHMSA-N 0 0 400.906 4.526 50 0 HJAARN CCOc1ccc(CN(C)C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1OC ZINC000006876136 569163310 /nfs/dbraw/zinc/16/33/10/569163310.db2.gz AOOFTHWJNWYICF-ZDUSSCGKSA-N 0 0 412.313 4.827 50 0 HJAARN CC[C@@H]1CCCCN1C(=O)Cn1c(SCc2ccc(C)cc2)nc2cccnc21 ZINC000006877803 569164733 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/nfs/dbraw/zinc/25/07/11/569250711.db2.gz WDZVXPFEBROLIV-UHFFFAOYSA-N 0 0 403.511 4.941 50 0 HJAARN O=C(Nc1nc(-c2ccc3c(c2)CC(=O)N3)cs1)c1ccc(-c2ccc(F)cc2)o1 ZINC000009882769 569251440 /nfs/dbraw/zinc/25/14/40/569251440.db2.gz KWFCVGJXPNOSAA-UHFFFAOYSA-N 0 0 419.437 4.956 50 0 HJAARN O=C(CSc1n[nH]c(-c2ccccc2F)n1)N(Cc1ccco1)C1=CCCCC1 ZINC000009909559 569251581 /nfs/dbraw/zinc/25/15/81/569251581.db2.gz JDOQTGQEOFYXGD-UHFFFAOYSA-N 0 0 412.490 4.783 50 0 HJAARN COc1cc(OC)c([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCC2)c(OC)c1 ZINC000071288733 569252487 /nfs/dbraw/zinc/25/24/87/569252487.db2.gz AOSCKWGKIRRVBL-GOSISDBHSA-N 0 0 403.504 4.616 50 0 HJAARN COc1ccc([C@@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)c2ccccc2C)cc1 ZINC000010060286 569253114 /nfs/dbraw/zinc/25/31/14/569253114.db2.gz NJIPMGIWEREARI-BJKOFHAPSA-N 0 0 424.504 4.976 50 0 HJAARN CSc1nnc(S[C@@H](C)C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)s1 ZINC000071794639 569254431 /nfs/dbraw/zinc/25/44/31/569254431.db2.gz BEVOTYZMBUHJEL-NSHDSACASA-N 0 0 423.585 4.811 50 0 HJAARN Cn1c(SCC(=O)NC2CCCCCC2)nnc1-c1csc2ccccc12 ZINC000013330625 569255136 /nfs/dbraw/zinc/25/51/36/569255136.db2.gz NFXVEZSXWNGSKZ-UHFFFAOYSA-N 0 0 400.573 4.628 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)[C@H](Sc1ncnc2[nH]cnc21)c1ccccc1 ZINC000013578856 569256209 /nfs/dbraw/zinc/25/62/09/569256209.db2.gz XDDGPPCKTIQMTN-QGZVFWFLSA-N 0 0 409.902 4.787 50 0 HJAARN O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)c1ccc(Br)o1 ZINC000013694949 569257038 /nfs/dbraw/zinc/25/70/38/569257038.db2.gz JQZMWKNCDVEOOG-UHFFFAOYSA-N 0 0 417.284 4.559 50 0 HJAARN Cn1ccnc1[C@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)c1ccc(F)cc1 ZINC000014402410 569259841 /nfs/dbraw/zinc/25/98/41/569259841.db2.gz IPKGWVMBDWFGHG-HXUWFJFHSA-N 0 0 409.848 4.992 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC000014609716 569260733 /nfs/dbraw/zinc/26/07/33/569260733.db2.gz GYWCCGVYPVUIMA-UHFFFAOYSA-N 0 0 422.847 4.988 50 0 HJAARN COc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2ccccc2)cc1 ZINC000014609802 569260746 /nfs/dbraw/zinc/26/07/46/569260746.db2.gz QBZSJUHMNBIUPQ-UHFFFAOYSA-N 0 0 404.857 4.849 50 0 HJAARN Cc1cc2ncn(C[C@H](O)CSc3ncc(C(F)(F)F)cc3Cl)c2cc1C ZINC000089609019 569261233 /nfs/dbraw/zinc/26/12/33/569261233.db2.gz QAUQJMXQVDGAEI-ZDUSSCGKSA-N 0 0 415.868 4.874 50 0 HJAARN Cc1cc2ncn(C[C@@H](O)CSc3ncc(C(F)(F)F)cc3Cl)c2cc1C ZINC000089609022 569261253 /nfs/dbraw/zinc/26/12/53/569261253.db2.gz QAUQJMXQVDGAEI-CYBMUJFWSA-N 0 0 415.868 4.874 50 0 HJAARN COc1ccc([C@H]2CC(c3cccc(C)c3)=NN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000089638831 569261559 /nfs/dbraw/zinc/26/15/59/569261559.db2.gz PFLFTFOCWZOKGC-XMMPIXPASA-N 0 0 420.534 4.852 50 0 HJAARN COc1cccc(Nc2cc(C)nc3c(-c4ccc(OC)c(OC)c4)c(C)nn32)c1 ZINC000007572462 569263649 /nfs/dbraw/zinc/26/36/49/569263649.db2.gz FJANPTMLIPPULK-UHFFFAOYSA-N 0 0 404.470 4.783 50 0 HJAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000016838124 569263890 /nfs/dbraw/zinc/26/38/90/569263890.db2.gz BNHSZNBSPFCAIQ-NRFANRHFSA-N 0 0 414.571 4.690 50 0 HJAARN COc1ccc(OC)c(NC(=O)CSc2ncc(-c3cccc(Cl)c3)o2)c1 ZINC000016841020 569264488 /nfs/dbraw/zinc/26/44/88/569264488.db2.gz OTCNFTCWCPNDLN-UHFFFAOYSA-N 0 0 404.875 4.743 50 0 HJAARN COc1ccc(NC(=O)CSc2ncc(-c3cccc(Cl)c3)o2)cc1OC ZINC000016841022 569264498 /nfs/dbraw/zinc/26/44/98/569264498.db2.gz HAHBLJJWGYIDHU-UHFFFAOYSA-N 0 0 404.875 4.743 50 0 HJAARN COC(=O)c1ccc(NC(=O)CSc2ncc(-c3cccc(Cl)c3)o2)cc1 ZINC000016841005 569264511 /nfs/dbraw/zinc/26/45/11/569264511.db2.gz JXUILJIRRFRLRD-UHFFFAOYSA-N 0 0 402.859 4.512 50 0 HJAARN COc1ccc(NC(=O)CSc2ncc(-c3cccc(Br)c3)o2)cc1 ZINC000016841094 569264516 /nfs/dbraw/zinc/26/45/16/569264516.db2.gz NZEKDIXFEHDGTL-UHFFFAOYSA-N 0 0 419.300 4.844 50 0 HJAARN Cc1oc(-c2ccc(C)cc2)nc1COC(=O)c1nnn(-c2ccc(C)c(F)c2)c1C ZINC000016842427 569264744 /nfs/dbraw/zinc/26/47/44/569264744.db2.gz DGQJTPSKLVVMAS-UHFFFAOYSA-N 0 0 420.444 4.652 50 0 HJAARN CCc1nc2c(sc3cccc(F)c32)c(=O)n1CC(=O)Nc1ccc(C)c(C)c1 ZINC000016842285 569264763 /nfs/dbraw/zinc/26/47/63/569264763.db2.gz WHCDEWMINHANNG-UHFFFAOYSA-N 0 0 409.486 4.568 50 0 HJAARN C[C@@H](Sc1ncc(-c2cccc(Br)c2)o1)C(=O)NCc1ccccc1 ZINC000016843875 569264973 /nfs/dbraw/zinc/26/49/73/569264973.db2.gz CNAXESIMXHYBFR-CYBMUJFWSA-N 0 0 417.328 4.901 50 0 HJAARN O=C(Nc1ccccc1N1CCCC1)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000089814109 569266412 /nfs/dbraw/zinc/26/64/12/569266412.db2.gz UKZVOTRNHCDCBO-IBGZPJMESA-N 0 0 404.297 4.725 50 0 HJAARN O=C(CCc1nc(-c2ccco2)no1)N1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000089830387 569266916 /nfs/dbraw/zinc/26/69/16/569266916.db2.gz LPGUISGWMBYIIH-OAQYLSRUSA-N 0 0 413.477 4.631 50 0 HJAARN COc1ccccc1NC(=O)Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1 ZINC000016973673 569269733 /nfs/dbraw/zinc/26/97/33/569269733.db2.gz NHKMAKCLPOXCDP-UHFFFAOYSA-N 0 0 416.890 4.630 50 0 HJAARN COc1ccc2[nH]c(C)c(CCNC(=S)Nc3ccc(OC(F)(F)F)cc3)c2c1 ZINC000016977556 569269988 /nfs/dbraw/zinc/26/99/88/569269988.db2.gz AYFVBLIBNKBHJN-UHFFFAOYSA-N 0 0 423.460 4.913 50 0 HJAARN Cc1cc(C)cc(-n2nc3c(c2NC(=O)/C=C\c2ccc4c(c2)OCO4)CSC3)c1 ZINC000017011029 569271348 /nfs/dbraw/zinc/27/13/48/569271348.db2.gz SQIVJWFGXPZMLK-XQRVVYSFSA-N 0 0 419.506 4.617 50 0 HJAARN O=S(=O)(c1ccccc1)c1cnc2ccc(F)cc2c1Nc1ccc2c(c1)OCO2 ZINC000017043366 569272164 /nfs/dbraw/zinc/27/21/64/569272164.db2.gz GOGCRODPYBIEIA-UHFFFAOYSA-N 0 0 422.437 4.679 50 0 HJAARN CCCCCC(=O)N1CCN(c2cc(Oc3ccccc3Cl)ncn2)C[C@H]1C ZINC000037356092 569272193 /nfs/dbraw/zinc/27/21/93/569272193.db2.gz GVAVXALAJJHNKW-MRXNPFEDSA-N 0 0 402.926 4.540 50 0 HJAARN Cc1ccc(S(=O)(=O)CC(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 ZINC000017043552 569272279 /nfs/dbraw/zinc/27/22/79/569272279.db2.gz ATIZTNHRSADMOZ-UHFFFAOYSA-N 0 0 422.531 4.684 50 0 HJAARN O=C(COc1cccc2ccc(N3CCCC3)nc21)Nc1cccc(C(F)(F)F)c1 ZINC000017170640 569276097 /nfs/dbraw/zinc/27/60/97/569276097.db2.gz UCDROAXWXJTXKI-UHFFFAOYSA-N 0 0 415.415 4.871 50 0 HJAARN CCOc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000001079492 569277241 /nfs/dbraw/zinc/27/72/41/569277241.db2.gz JCTQAQMMIBJHIS-UHFFFAOYSA-N 0 0 424.522 4.755 50 0 HJAARN COc1ccc(NC(=O)COc2ccc3c(c2)occ(-c2ccc(F)cc2)c3=O)cc1 ZINC000001123215 569277364 /nfs/dbraw/zinc/27/73/64/569277364.db2.gz IOMYLTGQUKYYIA-UHFFFAOYSA-N 0 0 419.408 4.625 50 0 HJAARN Cc1ccc2cccc(OCCOc3ccccc3I)c2n1 ZINC000002825159 569278014 /nfs/dbraw/zinc/27/80/14/569278014.db2.gz FKSDNKXECOWPNA-UHFFFAOYSA-N 0 0 405.235 4.606 50 0 HJAARN Nc1c2c(nn1-c1ccccc1Cl)nc(NC1CC1)nc2-c1cccc(Cl)c1 ZINC000037359609 569278376 /nfs/dbraw/zinc/27/83/76/569278376.db2.gz LTEZOVHEAWMWRA-UHFFFAOYSA-N 0 0 411.296 4.946 50 0 HJAARN c1coc(-c2nnc(SCc3nc(-c4cccs4)no3)n2-c2ccccc2)c1 ZINC000002877729 569278454 /nfs/dbraw/zinc/27/84/54/569278454.db2.gz KDUHHQGZEGDRCB-UHFFFAOYSA-N 0 0 407.480 4.931 50 0 HJAARN COc1ccc(-c2cc(=O)oc3cc(OC(=O)c4cccc(OC)c4)ccc32)cc1 ZINC000002091377 569280328 /nfs/dbraw/zinc/28/03/28/569280328.db2.gz FVGRVXQWSHVBGW-UHFFFAOYSA-N 0 0 402.402 4.696 50 0 biogenic HJAARN COc1ccc(CCNC(=O)C[C@H](c2ccccc2)c2cc(C)ccc2O)cc1OC ZINC000002093649 569280709 /nfs/dbraw/zinc/28/07/09/569280709.db2.gz QMCCDCLMXCRIPB-OAQYLSRUSA-N 0 0 419.521 4.599 50 0 biogenic HJAARN CCCc1cc(=O)oc2c(C)c(OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc12 ZINC000002095104 569280810 /nfs/dbraw/zinc/28/08/10/569280810.db2.gz GNMYJEJIIMYQDP-IBGZPJMESA-N 0 0 417.502 4.509 50 0 biogenic HJAARN Cc1c(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000002095866 569280939 /nfs/dbraw/zinc/28/09/39/569280939.db2.gz GSDIFODGDYQNDM-HNNXBMFYSA-N 0 0 423.465 4.587 50 0 biogenic HJAARN Cc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(F)cc2)cc1 ZINC000000638039 569281723 /nfs/dbraw/zinc/28/17/23/569281723.db2.gz FDQINJWNCGYVAS-BJKOFHAPSA-N 0 0 410.452 4.938 50 0 HJAARN COc1ccccc1-n1c(NC(=O)c2cc(C)n(C(C)(C)C)n2)nc2ccccc21 ZINC000170640530 569283317 /nfs/dbraw/zinc/28/33/17/569283317.db2.gz YHJKPONRPXSOKJ-UHFFFAOYSA-N 0 0 403.486 4.546 50 0 HJAARN CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CN3CCC[C@H]3c3cccs3)C2=O)cc1 ZINC000252443990 569285867 /nfs/dbraw/zinc/28/58/67/569285867.db2.gz LNFWCHZNNUOIQJ-FDDCHVKYSA-N 0 0 411.571 4.607 50 0 HJAARN O=C(CCSCc1csc(-c2ccc(F)cc2)n1)Nc1ccc2c(c1)OCO2 ZINC000027192593 569286798 /nfs/dbraw/zinc/28/67/98/569286798.db2.gz HAHYCFJVLPLLHI-UHFFFAOYSA-N 0 0 416.499 4.940 50 0 HJAARN COc1cc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc(OC)c1OC ZINC000007599188 569288237 /nfs/dbraw/zinc/28/82/37/569288237.db2.gz FLKIOZRYGMLUOL-UHFFFAOYSA-N 0 0 410.451 4.834 50 0 HJAARN COc1ccc(CSc2nnc(SCC(=O)Oc3ccc(C)cc3)s2)cc1 ZINC000002544562 569288478 /nfs/dbraw/zinc/28/84/78/569288478.db2.gz UJBZIGRRCPGEEK-UHFFFAOYSA-N 0 0 418.565 4.845 50 0 HJAARN CCc1cc(=O)n2nc(N(C)[C@@H]3CCC[C@H]3c3ccc(C(F)(F)F)cc3)sc2n1 ZINC000252477821 569288630 /nfs/dbraw/zinc/28/86/30/569288630.db2.gz VWSRLLYAALTCNK-JKSUJKDBSA-N 0 0 422.476 4.505 50 0 HJAARN CCc1cc(=O)oc2cc(OC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)ccc12 ZINC000002150468 569290040 /nfs/dbraw/zinc/29/00/40/569290040.db2.gz LGFWKXVUDHYMHO-NRFANRHFSA-N 0 0 423.465 4.527 50 0 biogenic HJAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3C(C)C)cc1 ZINC000239403331 569291932 /nfs/dbraw/zinc/29/19/32/569291932.db2.gz RTZFSXJJIIXOLR-QUCCMNQESA-N 0 0 401.304 4.983 50 0 HJAARN COc1ccc([C@H](C(C)C)N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)cc1OC ZINC000252537182 569292942 /nfs/dbraw/zinc/29/29/42/569292942.db2.gz KOTPLUZQGAFTLN-NRFANRHFSA-N 0 0 406.486 4.539 50 0 HJAARN CC(C)Nc1nc(NC(C)C)nc(SCCOc2ccc(Cl)cc2Cl)n1 ZINC000002183429 569293522 /nfs/dbraw/zinc/29/35/22/569293522.db2.gz JIDHWSBKIVNBSU-UHFFFAOYSA-N 0 0 416.378 4.990 50 0 HJAARN Cc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)cc1C ZINC000002186985 569293581 /nfs/dbraw/zinc/29/35/81/569293581.db2.gz KWPGFTLIJXSBCN-OAQYLSRUSA-N 0 0 407.514 4.859 50 0 biogenic HJAARN CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)[C@@](F)(OC)C(F)(F)F ZINC000002191911 569293755 /nfs/dbraw/zinc/29/37/55/569293755.db2.gz BJFIIIIYBTZVHY-QGZVFWFLSA-N 0 0 419.396 4.713 50 0 HJAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccco2)N1c1nc2ccc(F)cc2s1 ZINC000002198368 569294739 /nfs/dbraw/zinc/29/47/39/569294739.db2.gz KPIUBBYOKAOPSM-SFHVURJKSA-N 0 0 418.405 4.885 50 0 HJAARN C[C@@H](C(=O)NCc1ccccn1)n1c(Cc2cccc(Cl)c2)nc2ccccc21 ZINC000037396811 569296302 /nfs/dbraw/zinc/29/63/02/569296302.db2.gz KDPQWGNOGXHDNS-INIZCTEOSA-N 0 0 404.901 4.553 50 0 HJAARN O=C(CCn1c(Cc2ccc(F)cc2)nc2ccccc21)NCc1ccc(F)cc1 ZINC000037397547 569296700 /nfs/dbraw/zinc/29/67/00/569296700.db2.gz NOJNSGSGJHPENW-UHFFFAOYSA-N 0 0 405.448 4.612 50 0 HJAARN Cc1cc2nc(Cc3ccccc3Cl)n(CC(=O)NCc3ccccn3)c2cc1C ZINC000037397746 569296881 /nfs/dbraw/zinc/29/68/81/569296881.db2.gz JAFACUXQJCGAQM-UHFFFAOYSA-N 0 0 418.928 4.609 50 0 HJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(-c3c[nH]c4ccccc43)o2)c1C ZINC000007645811 569298490 /nfs/dbraw/zinc/29/84/90/569298490.db2.gz QYCUZLMTDNXJHH-CYBMUJFWSA-N 0 0 408.483 4.729 50 0 HJAARN O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)c1ccc2c(c1)OCCO2 ZINC000007654680 569299132 /nfs/dbraw/zinc/29/91/32/569299132.db2.gz QQFZAOKBJNXSTE-UHFFFAOYSA-N 0 0 406.818 4.505 50 0 HJAARN Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(OC(F)F)cc2)cc1 ZINC000007699715 569301258 /nfs/dbraw/zinc/30/12/58/569301258.db2.gz QUJSCQVIGJITBG-HXUWFJFHSA-N 0 0 403.450 4.664 50 0 HJAARN O=S(=O)(N[C@@H](c1cccs1)c1ccccc1)c1ccccc1Br ZINC000007702197 569301325 /nfs/dbraw/zinc/30/13/25/569301325.db2.gz HMAHDNUKJAIFQB-QGZVFWFLSA-N 0 0 408.342 4.579 50 0 HJAARN COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2cccc(Cl)c2Cl)c1 ZINC000007717478 569301954 /nfs/dbraw/zinc/30/19/54/569301954.db2.gz HRIPNLZUCXNNJR-KRWDZBQOSA-N 0 0 409.313 4.786 50 0 HJAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)N[C@@H](c1cccs1)c1ccccc1 ZINC000007733522 569304446 /nfs/dbraw/zinc/30/44/46/569304446.db2.gz WPZYJIDYHOFAKR-LJQANCHMSA-N 0 0 406.536 4.531 50 0 HJAARN O=C(NC1CC1)c1cc2sc(Br)cc2n1Cc1ccc(F)c(F)c1 ZINC000037543640 569305381 /nfs/dbraw/zinc/30/53/81/569305381.db2.gz WRSDCVBDIBVQRL-UHFFFAOYSA-N 0 0 411.271 4.684 50 0 HJAARN Cc1nn(-c2ccccc2C)c(Oc2cccc(F)c2)c1CCC(=O)NCC1CC1 ZINC000037547066 569305712 /nfs/dbraw/zinc/30/57/12/569305712.db2.gz KCYRGVCMBHFKQP-UHFFFAOYSA-N 0 0 407.489 4.879 50 0 HJAARN O=C(NCc1ccccc1)[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ccccc2F)C1 ZINC000037546014 569305793 /nfs/dbraw/zinc/30/57/93/569305793.db2.gz FWSITFRGUORPCF-QPPBQGQZSA-N 0 0 416.496 4.736 50 0 HJAARN CCN(CC)C(=O)CCc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F ZINC000037546788 569305889 /nfs/dbraw/zinc/30/58/89/569305889.db2.gz NOHVLCJJYJJFPQ-UHFFFAOYSA-N 0 0 413.468 4.959 50 0 HJAARN Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(F)c2)c1CCC(=O)NCC1CC1 ZINC000037546904 569305910 /nfs/dbraw/zinc/30/59/10/569305910.db2.gz OWAZETHDSMFFCF-UHFFFAOYSA-N 0 0 411.452 4.710 50 0 HJAARN Cc1cccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NC(C)C)cc2)c1 ZINC000037556659 569306501 /nfs/dbraw/zinc/30/65/01/569306501.db2.gz DXODAPIHRIBWIH-UHFFFAOYSA-N 0 0 400.522 4.909 50 0 HJAARN COc1cccc(N(C(=O)C(C)C)C2CCN(Cc3c(F)cccc3F)CC2)c1 ZINC000037560869 569307097 /nfs/dbraw/zinc/30/70/97/569307097.db2.gz NRHHFEUDFYJJAO-UHFFFAOYSA-N 0 0 402.485 4.627 50 0 HJAARN C[C@@H](NC(=O)[C@@H]1CCN(c2ccc(Oc3ccccc3)cc2)C1=O)c1ccccc1 ZINC000037571849 569307414 /nfs/dbraw/zinc/30/74/14/569307414.db2.gz FKFJBKKVFOFVCA-JPYJTQIMSA-N 0 0 400.478 4.709 50 0 HJAARN COC(=O)C1=C(C)N(Cc2ccccc2F)C(=O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000037577402 569307562 /nfs/dbraw/zinc/30/75/62/569307562.db2.gz OFOUIKNZHHQFAA-QGZVFWFLSA-N 0 0 421.390 4.808 50 0 HJAARN CCN(CC)C(=S)S[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000007779585 569309343 /nfs/dbraw/zinc/30/93/43/569309343.db2.gz BKYGAGVHBGCQJN-SNVBAGLBSA-N 0 0 415.556 4.775 50 0 HJAARN Cc1ccccc1-c1noc(CSc2nnc(Cc3cccs3)n2C2CC2)n1 ZINC000007844441 569314177 /nfs/dbraw/zinc/31/41/77/569314177.db2.gz XQQHWESXQHYVMI-UHFFFAOYSA-N 0 0 409.540 4.916 50 0 HJAARN COc1nc(N2CCC[C@H]2c2cccs2)nc(N2CCC[C@H]2c2cccs2)n1 ZINC000252670284 569319375 /nfs/dbraw/zinc/31/93/75/569319375.db2.gz KBRXTAJMGGQRHL-GJZGRUSLSA-N 0 0 413.572 4.686 50 0 HJAARN Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000001006546 569320331 /nfs/dbraw/zinc/32/03/31/569320331.db2.gz KZKMKZFAZJVZFL-UHFFFAOYSA-N 0 0 400.887 4.702 50 0 HJAARN COc1ccc([C@H]2CC(c3ccccc3)=NC(=S)N2)cc1OCc1ccccc1 ZINC000001480301 569320415 /nfs/dbraw/zinc/32/04/15/569320415.db2.gz UBSAWHKFOQGZGF-OAQYLSRUSA-N 0 0 402.519 4.834 50 0 HJAARN COc1ccc2c(c1)c(=O)c(C(=O)c1ccc(F)cc1)cn2Cc1ccc(C)cc1 ZINC000002690292 569322288 /nfs/dbraw/zinc/32/22/88/569322288.db2.gz JEQFSOHCRPSFTN-UHFFFAOYSA-N 0 0 401.437 4.737 50 0 HJAARN O=C(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccc(Br)o1 ZINC000002961476 569322607 /nfs/dbraw/zinc/32/26/07/569322607.db2.gz YXEXSIWCDIAXQU-UHFFFAOYSA-N 0 0 400.257 4.966 50 0 HJAARN O=C(NCc1cccc(Cl)c1)c1cccc(-n2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000002973938 569322614 /nfs/dbraw/zinc/32/26/14/569322614.db2.gz SUQGXKVEBWCBNL-UHFFFAOYSA-N 0 0 421.909 4.632 50 0 HJAARN Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2ccccc2F)cc1 ZINC000002241929 569323618 /nfs/dbraw/zinc/32/36/18/569323618.db2.gz QAPNIDARNAIRPF-UHFFFAOYSA-N 0 0 413.452 4.908 50 0 HJAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)cc1 ZINC000002246928 569324216 /nfs/dbraw/zinc/32/42/16/569324216.db2.gz XJWOZPIZRLGBQP-UHFFFAOYSA-N 0 0 417.490 4.944 50 0 HJAARN CCCSc1nnc2n1c(=O)c1c(n2CCC)-c2ccccc2CC12CCCC2 ZINC000002249152 569324441 /nfs/dbraw/zinc/32/44/41/569324441.db2.gz GMRLQIUCMGENTJ-UHFFFAOYSA-N 0 0 408.571 4.838 50 0 HJAARN Cc1ccc(Cn2c(N)c(C(=O)OCCC(C)C)c3nc4ccccc4nc32)cc1 ZINC000002257564 569324852 /nfs/dbraw/zinc/32/48/52/569324852.db2.gz ZBONKDQRGMLYJA-UHFFFAOYSA-N 0 0 402.498 4.726 50 0 HJAARN CCC(=O)N[C@@H](Oc1ccc(C=NNc2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000027496360 569325221 /nfs/dbraw/zinc/32/52/21/569325221.db2.gz PKFOKZLFHJYJPS-KRWDZBQOSA-N 0 0 414.720 4.734 50 0 HJAARN CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC(C)(C)OC3 ZINC000002260678 569325248 /nfs/dbraw/zinc/32/52/48/569325248.db2.gz UZTMUFCBOLMBDG-UHFFFAOYSA-N 0 0 416.568 4.809 50 0 HJAARN CC(C)O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Br)cc1 ZINC000002264034 569325487 /nfs/dbraw/zinc/32/54/87/569325487.db2.gz ZFWMWIUCNBPDOG-MHECFPHRSA-N 0 0 412.264 4.535 50 0 HJAARN CC[C@@H](C)NC(=O)c1c(N)n(-c2ccc(C(C)C)cc2)c2nc3ccccc3nc12 ZINC000002264141 569325563 /nfs/dbraw/zinc/32/55/63/569325563.db2.gz VNRHASMMRTWZCE-OAHLLOKOSA-N 0 0 401.514 4.808 50 0 HJAARN CCn1c(=O)c2cc3c(nc2nc1SCc1ccc(Cl)cc1)CC(C)(C)OC3 ZINC000002265710 569325635 /nfs/dbraw/zinc/32/56/35/569325635.db2.gz NRRIXWZTGDWFEH-UHFFFAOYSA-N 0 0 415.946 4.608 50 0 HJAARN O=c1c2ccccc2nc(-c2ccc(F)cc2)n1NCc1cccc(Br)c1 ZINC000027531014 569366369 /nfs/dbraw/zinc/36/63/69/569366369.db2.gz YNUMDKCSRCOBGK-UHFFFAOYSA-N 0 0 424.273 4.709 50 0 HJAARN COc1ccc(-c2nc3ccccc3c(=O)n2NCc2c(F)cccc2Cl)cc1 ZINC000027531472 569366858 /nfs/dbraw/zinc/36/68/58/569366858.db2.gz BTBJEACWWWMZNZ-UHFFFAOYSA-N 0 0 409.848 4.608 50 0 HJAARN Cc1cccc(-c2nc3ccccc3c(=O)n2NCc2ccc(Br)cc2)c1 ZINC000027532197 569367441 /nfs/dbraw/zinc/36/74/41/569367441.db2.gz FDEXNDMHABGHRQ-UHFFFAOYSA-N 0 0 420.310 4.878 50 0 HJAARN Cc1cccc(-c2nc3ccccc3c(=O)n2NCc2ccc(OC(F)F)cc2)c1 ZINC000027532259 569367591 /nfs/dbraw/zinc/36/75/91/569367591.db2.gz XWTLCMPEOYGWAK-UHFFFAOYSA-N 0 0 407.420 4.717 50 0 HJAARN Cc1cccc(-n2c(N)c(C(=O)Nc3cccc(F)c3)c3nc4ccccc4nc32)c1 ZINC000002291073 569368978 /nfs/dbraw/zinc/36/89/78/569368978.db2.gz XUGUHYOBTQXBEL-UHFFFAOYSA-N 0 0 411.440 4.856 50 0 HJAARN CC[C@]1(C)Cc2c(sc3nc(SCc4ccc5c(c4)OCO5)nc(N)c23)CO1 ZINC000002296906 569369622 /nfs/dbraw/zinc/36/96/22/569369622.db2.gz KUMARUNLCYIFMT-HXUWFJFHSA-N 0 0 415.540 4.536 50 0 HJAARN C[C@H](NC(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)CCCC2 ZINC000002307012 569372559 /nfs/dbraw/zinc/37/25/59/569372559.db2.gz CBFBHHZVDKOUNK-SFHVURJKSA-N 0 0 418.537 4.599 50 0 HJAARN O=C1CS/C(=C(\C(Cl)=C(Cl)Cl)[N+](=O)[O-])N1c1ccc(Cl)cc1 ZINC000027571405 569374735 /nfs/dbraw/zinc/37/47/35/569374735.db2.gz POFKTCUIJBPNHA-ZRDIBKRKSA-N 0 0 400.070 4.751 50 0 HJAARN Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1Cc1ccc(F)cc1 ZINC000002336651 569376026 /nfs/dbraw/zinc/37/60/26/569376026.db2.gz DAXGCNWFPPAFCX-UHFFFAOYSA-N 0 0 411.440 4.606 50 0 HJAARN FC(F)(F)C1(C(F)(F)F)N=C(CCc2ccccc2)OC(N2CCCCC2)=N1 ZINC000002347761 569379446 /nfs/dbraw/zinc/37/94/46/569379446.db2.gz VXUFDFJYBFPNNQ-UHFFFAOYSA-N 0 0 407.358 4.711 50 0 HJAARN CCC(C)(C)c1ccc(Oc2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)cc1 ZINC000002350568 569381338 /nfs/dbraw/zinc/38/13/38/569381338.db2.gz LBRDBNCYEXLDPX-UHFFFAOYSA-N 0 0 420.509 4.964 50 0 biogenic HJAARN C[C@H]1CC(C)(C)N(Cc2ccccc2)c2ccc(C(=S)N3CCN(C)CC3)cc21 ZINC000253495762 569381907 /nfs/dbraw/zinc/38/19/07/569381907.db2.gz QKAAFTHACJHSBG-IBGZPJMESA-N 0 0 407.627 4.902 50 0 HJAARN CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(Cl)C4=C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253499887 569382156 /nfs/dbraw/zinc/38/21/56/569382156.db2.gz QQEHDZXXCDSAFE-FLRAOKLBSA-N 0 0 406.950 4.544 50 0 biogenic HJAARN C[C@@H](CCC(=O)NCCO)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253531524 569382721 /nfs/dbraw/zinc/38/27/21/569382721.db2.gz HENFUZBSUMHZKR-HYJBVUSNSA-N 0 0 419.650 4.531 50 0 HJAARN CCOC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@@H](C(=O)OCC)[C@H]1c1ccco1 ZINC000002359794 569385563 /nfs/dbraw/zinc/38/55/63/569385563.db2.gz KQEGCJRLMNRRQP-IFMALSPDSA-N 0 0 409.482 4.740 50 0 HJAARN CCOC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@H](C(=O)OCC)[C@H]1c1ccco1 ZINC000002359795 569385571 /nfs/dbraw/zinc/38/55/71/569385571.db2.gz KQEGCJRLMNRRQP-RBBKRZOGSA-N 0 0 409.482 4.740 50 0 HJAARN COc1ccccc1[C@@H](O)[P@@](=O)(OC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000002366142 569388157 /nfs/dbraw/zinc/38/81/57/569388157.db2.gz DQRJBSVBSJPXDF-DWACAAAGSA-N 0 0 403.459 4.705 50 0 HJAARN COCCNc1nc(SCc2ccccc2)nc2sc3c(c21)CC(C)(C)OC3 ZINC000002368590 569388472 /nfs/dbraw/zinc/38/84/72/569388472.db2.gz UGOUWIZECITCLG-UHFFFAOYSA-N 0 0 415.584 4.893 50 0 HJAARN CCOC(=O)CCc1c(C)c2cc(Cl)c(OCc3ccccc3)cc2oc1=O ZINC000002371587 569388925 /nfs/dbraw/zinc/38/89/25/569388925.db2.gz PMLOWBHVWXNQQL-UHFFFAOYSA-N 0 0 400.858 4.830 50 0 HJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccc(F)c2)N1c1nccs1 ZINC000002393379 569394113 /nfs/dbraw/zinc/39/41/13/569394113.db2.gz LQNHLGQNIIUEHW-INIZCTEOSA-N 0 0 412.829 4.792 50 0 HJAARN Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)n1 ZINC000002400061 569395086 /nfs/dbraw/zinc/39/50/86/569395086.db2.gz HERGSDZJBFBGHK-FQEVSTJZSA-N 0 0 402.837 4.900 50 0 HJAARN Cc1cccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccccc2F)n1 ZINC000002401891 569395520 /nfs/dbraw/zinc/39/55/20/569395520.db2.gz MLYFBLKWTKSKNE-FQEVSTJZSA-N 0 0 404.372 4.524 50 0 HJAARN CC(C)Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2)s1 ZINC000002401697 569395545 /nfs/dbraw/zinc/39/55/45/569395545.db2.gz TYJJHBIGSDLQEK-LJQANCHMSA-N 0 0 417.490 4.593 50 0 HJAARN COc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)c(OC)c1 ZINC000002403211 569395741 /nfs/dbraw/zinc/39/57/41/569395741.db2.gz JEHZEASMFUOJGA-UHFFFAOYSA-N 0 0 407.495 4.973 50 0 HJAARN CCc1cc(=O)oc2cc(C)cc(OCC(=O)c3ccc(Br)cc3)c12 ZINC000002409519 569396461 /nfs/dbraw/zinc/39/64/61/569396461.db2.gz NFYOEOINHTWTKL-UHFFFAOYSA-N 0 0 401.256 4.688 50 0 HJAARN COc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)cc1 ZINC000002412237 569396983 /nfs/dbraw/zinc/39/69/83/569396983.db2.gz GSLSBNIBYNSAPZ-LJQANCHMSA-N 0 0 422.824 4.501 50 0 HJAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccccc1F)N(Cc1ccco1)C3=O ZINC000002418191 569397494 /nfs/dbraw/zinc/39/74/94/569397494.db2.gz MIRAQJVUKXIPQT-OAQYLSRUSA-N 0 0 403.409 4.887 50 0 HJAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Cl)c(Cl)c2)N1c1ncccn1 ZINC000002424767 569398362 /nfs/dbraw/zinc/39/83/62/569398362.db2.gz QGJKQUXYOCNATG-QGZVFWFLSA-N 0 0 424.243 4.640 50 0 HJAARN CC(C)OCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccccc1 ZINC000002428983 569398818 /nfs/dbraw/zinc/39/88/18/569398818.db2.gz NNKTVPRKBUCQAU-HXUWFJFHSA-N 0 0 411.885 4.807 50 0 HJAARN CC(C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4c(=O)o3)cc2)cc1 ZINC000002434019 569399304 /nfs/dbraw/zinc/39/93/04/569399304.db2.gz SSJOUGWGLMUQGR-UHFFFAOYSA-N 0 0 414.461 4.996 50 0 HJAARN Cc1ccc(-n2ncc3c4nc(-c5cc6ccccc6cc5O)nn4cnc32)cc1C ZINC000002433218 569399376 /nfs/dbraw/zinc/39/93/76/569399376.db2.gz ADLDGGVFXNAVND-UHFFFAOYSA-N 0 0 406.449 4.606 50 0 HJAARN CCN(CC)c1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2CC)cc1 ZINC000002434371 569399510 /nfs/dbraw/zinc/39/95/10/569399510.db2.gz GDUQCDKIKDGDRM-UHFFFAOYSA-N 0 0 423.586 4.850 50 0 HJAARN O=C(NN1C(=O)C2(CCCCC2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000002439895 569400318 /nfs/dbraw/zinc/40/03/18/569400318.db2.gz DRSAWBRPYMWNOB-SFHVURJKSA-N 0 0 413.315 4.628 50 0 HJAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(Cl)cc1)N(C[C@H]1CCCO1)C3=O ZINC000002440532 569400653 /nfs/dbraw/zinc/40/06/53/569400653.db2.gz GHTQSABTGXKPGM-UTKZUKDTSA-N 0 0 423.896 4.787 50 0 HJAARN CCc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 ZINC000002442234 569400762 /nfs/dbraw/zinc/40/07/62/569400762.db2.gz RGQAYLDKCZQGNN-UHFFFAOYSA-N 0 0 423.929 4.762 50 0 HJAARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)c5c(C)nn(C(C)=O)c5C[C@H]4[C@@H]3CC[C@H]2C1 ZINC000012656231 569402455 /nfs/dbraw/zinc/40/24/55/569402455.db2.gz DLCTVKXJNPOKCT-JQOWFYNESA-N 0 0 412.574 4.840 50 0 biogenic HJAARN COc1cccc(CCC(=O)N2CCc3sccc3[C@@H]2c2cccs2)c1OC ZINC000007948126 569403073 /nfs/dbraw/zinc/40/30/73/569403073.db2.gz VFSFAPLMMYQNEE-OAQYLSRUSA-N 0 0 413.564 4.934 50 0 HJAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)O[C@@H](C)C(=O)c1cccc(Cl)c1 ZINC000012815287 569403832 /nfs/dbraw/zinc/40/38/32/569403832.db2.gz BAZFYGDLLKWJGD-ZDUSSCGKSA-N 0 0 403.265 4.916 50 0 HJAARN CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccc(OC)cc1 ZINC000002451158 569404009 /nfs/dbraw/zinc/40/40/09/569404009.db2.gz CWLIUKBZOAONOG-UHFFFAOYSA-N 0 0 416.934 4.666 50 0 HJAARN COc1ccc(N2C(=O)[C@@H]3Cc4c5ccccc5[nH]c4[C@H](c4ccccc4)N3C2=O)cc1 ZINC000012871882 569404358 /nfs/dbraw/zinc/40/43/58/569404358.db2.gz XHEGKZPYJYUHRI-UPVQGACJSA-N 0 0 423.472 4.659 50 0 biogenic HJAARN Cc1oc2cc3oc(=O)c(CC(=O)N[C@H](C)CCc4ccco4)c(C)c3cc2c1C ZINC000012896713 569404814 /nfs/dbraw/zinc/40/48/14/569404814.db2.gz FAIAAQUVIRLSKU-CYBMUJFWSA-N 0 0 407.466 4.737 50 0 biogenic HJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000012905552 569404895 /nfs/dbraw/zinc/40/48/95/569404895.db2.gz YPMLZYWURJCSDK-UHFFFAOYSA-N 0 0 424.353 4.617 50 0 HJAARN O=S(=O)(Cc1cc(-c2ccccc2)on1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000055345923 569405641 /nfs/dbraw/zinc/40/56/41/569405641.db2.gz BUEOXQBILBZVNX-UHFFFAOYSA-N 0 0 401.793 4.988 50 0 HJAARN CN(CCC(=O)Nc1c(Cl)cccc1Cl)CC(=O)Nc1ccccc1Cl ZINC000013002052 569406382 /nfs/dbraw/zinc/40/63/82/569406382.db2.gz UHOYCNIVVOFIJJ-UHFFFAOYSA-N 0 0 414.720 4.546 50 0 HJAARN O=C(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1cccc(C(F)(F)F)c1 ZINC000013009579 569407065 /nfs/dbraw/zinc/40/70/65/569407065.db2.gz TVAIKRMYABMGAI-UHFFFAOYSA-N 0 0 424.386 4.677 50 0 HJAARN COc1ccc(NC(=O)Cc2csc(SCc3ccc(C)cc3)n2)c(OC)c1 ZINC000013010387 569407201 /nfs/dbraw/zinc/40/72/01/569407201.db2.gz IBIQTFCQHYLOFY-UHFFFAOYSA-N 0 0 414.552 4.942 50 0 HJAARN CCOc1cccc2c1O[C@H](c1ccco1)N1N=C(c3ccc4c(c3)OCO4)C[C@@H]21 ZINC000013036404 569407616 /nfs/dbraw/zinc/40/76/16/569407616.db2.gz RBODANZUSHIBEF-GAJHUEQPSA-N 0 0 404.422 4.649 50 0 HJAARN Cc1ccc(N2C[C@@H](c3nc(-c4ccc(C(F)(F)F)cc4)no3)CC2=O)cc1F ZINC000013037050 569407644 /nfs/dbraw/zinc/40/76/44/569407644.db2.gz KQKIVCPFBZSSCD-ZDUSSCGKSA-N 0 0 405.351 4.723 50 0 HJAARN O=C(COc1cccc2ccccc21)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000013075317 569408671 /nfs/dbraw/zinc/40/86/71/569408671.db2.gz WHWJZBAGXIZYAP-UHFFFAOYSA-N 0 0 412.493 4.842 50 0 HJAARN O=C(CCCc1ccccc1)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccccc1 ZINC000002456644 569410624 /nfs/dbraw/zinc/41/06/24/569410624.db2.gz RVEYDERMRYECAZ-VWLOTQADSA-N 0 0 402.469 4.719 50 0 HJAARN Cc1ccc(C)c(NC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CC3)c1 ZINC000013356001 569411356 /nfs/dbraw/zinc/41/13/56/569411356.db2.gz RIHFKKUCKSVDLH-UHFFFAOYSA-N 0 0 421.522 4.699 50 0 HJAARN Cc1cccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)c1 ZINC000013355122 569411431 /nfs/dbraw/zinc/41/14/31/569411431.db2.gz WMOZOMZDRRRCKG-UHFFFAOYSA-N 0 0 420.534 4.699 50 0 HJAARN Cc1cc2nc(CSc3ccc(NC(=O)c4ccco4)cc3)c(=O)[nH]c2cc1C ZINC000013360898 569411783 /nfs/dbraw/zinc/41/17/83/569411783.db2.gz TVMBAPUSMMNNJA-UHFFFAOYSA-N 0 0 405.479 4.678 50 0 HJAARN CCc1ccc(-c2nc(SCC(=O)NC[C@@H]3CCCO3)c(-c3ccccc3)[nH]2)cc1 ZINC000013365799 569412231 /nfs/dbraw/zinc/41/22/31/569412231.db2.gz SQFDLIHBNQVALY-FQEVSTJZSA-N 0 0 421.566 4.693 50 0 HJAARN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000007960655 569420131 /nfs/dbraw/zinc/42/01/31/569420131.db2.gz GRMLXSFHIKLQHA-KRWDZBQOSA-N 0 0 422.916 4.515 50 0 HJAARN COc1ccc(CN[C@H](CCSC)c2nc3ccccc3[nH]2)cc1Br ZINC000078739005 569420150 /nfs/dbraw/zinc/42/01/50/569420150.db2.gz LHPSTCUGMLEJCY-QGZVFWFLSA-N 0 0 420.376 4.918 50 0 HJAARN COc1ccc(CN(C(=O)c2ccccc2Br)c2nccs2)cc1 ZINC000078976532 569422702 /nfs/dbraw/zinc/42/27/02/569422702.db2.gz VCKIYFYAPCJVEZ-UHFFFAOYSA-N 0 0 403.301 4.761 50 0 HJAARN Cc1cccc(CN(CC(=O)Nc2ccc(F)c(Cl)c2)Cc2cccc(C)n2)n1 ZINC000079052050 569425656 /nfs/dbraw/zinc/42/56/56/569425656.db2.gz DOAHLESYSHVHPE-UHFFFAOYSA-N 0 0 412.896 4.527 50 0 HJAARN O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cc(Cl)c2c(c1)OCCO2 ZINC000019622047 569425674 /nfs/dbraw/zinc/42/56/74/569425674.db2.gz HCJIFXLGPBGLLZ-UHFFFAOYSA-N 0 0 408.813 4.765 50 0 HJAARN CC(C)c1ccc(CCC(=O)N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1 ZINC000079068750 569426699 /nfs/dbraw/zinc/42/66/99/569426699.db2.gz FRFFQAKQGASVPY-SFHVURJKSA-N 0 0 412.549 4.720 50 0 HJAARN COc1cc(C(=O)NC[C@H](C[C@H](C)O)c2ccccc2)ccc1OCc1ccccc1 ZINC000079104804 569427618 /nfs/dbraw/zinc/42/76/18/569427618.db2.gz KMENHGIHJNWJDB-CVDCTZTESA-N 0 0 419.521 4.559 50 0 HJAARN C[C@H](O)C[C@H](CNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccccc1 ZINC000079104796 569427619 /nfs/dbraw/zinc/42/76/19/569427619.db2.gz ROGKNUOYGFROCJ-GHTZIAJQSA-N 0 0 407.485 4.689 50 0 HJAARN CCOC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(-c2ccccc2)o1 ZINC000079189141 569429195 /nfs/dbraw/zinc/42/91/95/569429195.db2.gz IGHZMHVUJAATKT-UGKGYDQZSA-N 0 0 402.402 4.509 50 0 biogenic HJAARN Cc1sc(NC(=O)c2cccc(Cl)c2)nc1-c1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000019796607 569430215 /nfs/dbraw/zinc/43/02/15/569430215.db2.gz IHDNEPUZZZCXMM-JTQLQIEISA-N 0 0 413.886 4.744 50 0 HJAARN COc1cc(N2CCn3c(nc4ccccc43)C2)ccc1NC(=O)Nc1ccccc1 ZINC000019855435 569431211 /nfs/dbraw/zinc/43/12/11/569431211.db2.gz UFNHUBXSFRLJEQ-UHFFFAOYSA-N 0 0 413.481 4.709 50 0 HJAARN Cc1cc(C)nc(SCc2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)o2)n1 ZINC000079481606 569431848 /nfs/dbraw/zinc/43/18/48/569431848.db2.gz HJOVPWVAPIAJJY-UHFFFAOYSA-N 0 0 423.523 4.750 50 0 HJAARN COc1ccc(NC(=O)c2c(NC(=O)Cc3ccccc3)sc3c2CCC3)cc1 ZINC000000722336 571041318 /nfs/dbraw/zinc/04/13/18/571041318.db2.gz BBKGAHRUOWFQOA-UHFFFAOYSA-N 0 0 406.507 4.679 50 0 HJAARN CCCCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccc(C)cc1Cl ZINC000067238407 571051244 /nfs/dbraw/zinc/05/12/44/571051244.db2.gz ULOUFPXJGVGCIF-UHFFFAOYSA-N 0 0 418.950 4.526 50 0 HJAARN Cc1cc(C)cc(Nc2nc(C)cc(=O)n2CC(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000067246371 571054708 /nfs/dbraw/zinc/05/47/08/571054708.db2.gz QVTORNDYASASEV-UHFFFAOYSA-N 0 0 404.514 4.674 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)Cc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc1 ZINC000008490710 571056741 /nfs/dbraw/zinc/05/67/41/571056741.db2.gz FOHAARASXIKTCU-UHFFFAOYSA-N 0 0 418.449 4.604 50 0 biogenic HJAARN O=c1c2sccc2n(Cc2ccccc2Cl)c(=O)n1-c1ccc(Cl)cc1 ZINC000067258349 571057641 /nfs/dbraw/zinc/05/76/41/571057641.db2.gz UPFNHANWVLOTPF-UHFFFAOYSA-N 0 0 403.290 4.569 50 0 HJAARN COc1cccc(Cn2c(=O)c3ccccc3nc2SCc2ccc(F)cc2)c1 ZINC000067258778 571057901 /nfs/dbraw/zinc/05/79/01/571057901.db2.gz IDWPZOZSSQHGRQ-UHFFFAOYSA-N 0 0 406.482 4.885 50 0 HJAARN Cc1c(-c2nc(-c3cccs3)no2)sc2ncn(Cc3ccc(C)cc3)c(=O)c12 ZINC000067260375 571059580 /nfs/dbraw/zinc/05/95/80/571059580.db2.gz ZLPLTJULCINZRT-UHFFFAOYSA-N 0 0 420.519 4.902 50 0 HJAARN Cc1c(-c2nc(-c3cccs3)no2)sc2ncn(CCc3ccccc3)c(=O)c12 ZINC000067260367 571059582 /nfs/dbraw/zinc/05/95/82/571059582.db2.gz DZHMJGJCFRQDOV-UHFFFAOYSA-N 0 0 420.519 4.788 50 0 HJAARN Cc1noc(C)c1CSc1nnc2c3cc(-c4ccc(C)c(C)c4)nn3ccn12 ZINC000067260645 571059618 /nfs/dbraw/zinc/05/96/18/571059618.db2.gz LRDQIYNACCUQRL-UHFFFAOYSA-N 0 0 404.499 4.558 50 0 HJAARN O=C(NCc1ccccc1Cl)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 ZINC000067261704 571060177 /nfs/dbraw/zinc/06/01/77/571060177.db2.gz CYEMZPWENQXTTF-UHFFFAOYSA-N 0 0 424.291 4.566 50 0 HJAARN Cc1ccc(-c2cc3c(N4CCN(c5ccc(C)cc5C)CC4)nccn3n2)c(C)c1 ZINC000067285115 571063982 /nfs/dbraw/zinc/06/39/82/571063982.db2.gz HSRYEVBIEPAKBW-UHFFFAOYSA-N 0 0 411.553 4.957 50 0 HJAARN CCOc1ccc(-c2cc3c(SCC(=O)N(C)c4ccccc4)nccn3n2)cc1 ZINC000067290396 571067405 /nfs/dbraw/zinc/06/74/05/571067405.db2.gz VVLCXDSWOPCJJD-UHFFFAOYSA-N 0 0 418.522 4.550 50 0 HJAARN O=C(NC[C@@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1ccccc1Cl ZINC000067292946 571068709 /nfs/dbraw/zinc/06/87/09/571068709.db2.gz JPZBIJACIHGJRU-RPKJYVOXSA-N 0 0 417.292 4.881 50 0 HJAARN COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3cc(F)cc(F)c3)oc21 ZINC000067293551 571069158 /nfs/dbraw/zinc/06/91/58/571069158.db2.gz WWTQGNYRQMRXBL-ROMGYVFFSA-N 0 0 407.376 4.599 50 0 HJAARN Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(C)cc2F)nc1 ZINC000067294384 571069882 /nfs/dbraw/zinc/06/98/82/571069882.db2.gz SGRRIOZJUUNHJW-RWEWTDSWSA-N 0 0 403.413 4.774 50 0 HJAARN O=C(NCc1ccco1)c1cc2ccc(O)cc2o/c1=N\c1ccc(F)cc1Cl ZINC000067299263 571073298 /nfs/dbraw/zinc/07/32/98/571073298.db2.gz FZZRSELNBOVIPZ-DAFNUICNSA-N 0 0 412.804 4.686 50 0 HJAARN CC[C@H](C)n1c(=O)c2sccc2nc1SCC(=O)Nc1cccc(Cl)c1 ZINC000067335104 571079526 /nfs/dbraw/zinc/07/95/26/571079526.db2.gz QLGFNSHHJIPLBE-NSHDSACASA-N 0 0 407.948 4.813 50 0 HJAARN COc1ccc(-c2nc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3o2)cc1 ZINC000008586682 571083250 /nfs/dbraw/zinc/08/32/50/571083250.db2.gz NZHJQCPUFWDEDG-UHFFFAOYSA-N 0 0 414.870 4.958 50 0 HJAARN O=C(NCc1cccc(Cl)c1)c1ccc(C[S@@](=O)Cc2ccccc2Cl)o1 ZINC000008589235 571084852 /nfs/dbraw/zinc/08/48/52/571084852.db2.gz QRIQFOHTCCYGMK-HHHXNRCGSA-N 0 0 422.333 4.965 50 0 HJAARN CC(=O)c1ccc(NC(=O)Nc2sc3nc4n(c(=O)c3c2C)CC[C@H](C)CC4)cc1 ZINC000008605158 571091648 /nfs/dbraw/zinc/09/16/48/571091648.db2.gz WOFKRVXSIWHGHL-GFCCVEGCSA-N 0 0 424.526 4.585 50 0 HJAARN Cc1ccc(O)c(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)N(Cc2ccco2)C3=O)c1 ZINC000008606613 571092281 /nfs/dbraw/zinc/09/22/81/571092281.db2.gz MLHCQZDSAJKJLL-QFIPXVFZSA-N 0 0 403.413 4.568 50 0 aggregator HJAARN Cc1cccc(C(=O)N2CCc3cc(CNC(=O)CSc4ccccc4)ccc32)c1 ZINC000008607379 571092769 /nfs/dbraw/zinc/09/27/69/571092769.db2.gz DWGHEULDCWREPK-UHFFFAOYSA-N 0 0 416.546 4.606 50 0 HJAARN CC(=O)c1cccc(NC(=O)c2c(=O)n(C)nc(-c3ccccc3)c2-c2ccccc2)c1 ZINC000008613933 571095387 /nfs/dbraw/zinc/09/53/87/571095387.db2.gz GDHCGVGROROLKJ-UHFFFAOYSA-N 0 0 423.472 4.569 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)[C@H](C)n1nnc2sc(-c3ccccc3)cc2c1=O ZINC000008613843 571095393 /nfs/dbraw/zinc/09/53/93/571095393.db2.gz FQLSSLXPLIYPBG-ZDUSSCGKSA-N 0 0 424.913 4.682 50 0 HJAARN O=S(=O)(c1ccccc1Cl)N1CCC[C@@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000008649039 571098151 /nfs/dbraw/zinc/09/81/51/571098151.db2.gz LFHVQJUKXYKRAU-OAHLLOKOSA-N 0 0 424.309 4.569 50 0 HJAARN Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)cc1 ZINC000008656873 571099117 /nfs/dbraw/zinc/09/91/17/571099117.db2.gz KAMSBPUBCMXCPE-HXUWFJFHSA-N 0 0 411.505 4.944 50 0 HJAARN COc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)c1 ZINC000008657350 571099185 /nfs/dbraw/zinc/09/91/85/571099185.db2.gz ZECSJLUFFPOTMO-GOSISDBHSA-N 0 0 415.468 4.753 50 0 HJAARN COc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)cc1 ZINC000008657324 571099197 /nfs/dbraw/zinc/09/91/97/571099197.db2.gz UQCUBRVAKLLNER-GOSISDBHSA-N 0 0 415.468 4.753 50 0 HJAARN Cc1c(-c2nc(-c3ccc(C)cc3)no2)nnn1-c1ccc(Br)cc1F ZINC000008673275 571100707 /nfs/dbraw/zinc/10/07/07/571100707.db2.gz RAYOAYOGKQTWLE-UHFFFAOYSA-N 0 0 414.238 4.503 50 0 HJAARN O=C(COC(=O)CCCOc1ccc(Cl)cc1Cl)Nc1cccc(Cl)c1 ZINC000008690620 571101914 /nfs/dbraw/zinc/10/19/14/571101914.db2.gz HXSAHKKWGGPJGF-UHFFFAOYSA-N 0 0 416.688 4.988 50 0 HJAARN O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCCOc1ccc2ccccc2c1 ZINC000008707702 571104117 /nfs/dbraw/zinc/10/41/17/571104117.db2.gz HHGVDPDXIWGKPF-UHFFFAOYSA-N 0 0 404.441 4.762 50 0 HJAARN Cc1nnc(SCC(=O)Nc2ccc(-c3ccccc3)cc2)n1-c1ccccc1 ZINC000008708592 571104428 /nfs/dbraw/zinc/10/44/28/571104428.db2.gz QHNIWQSJAAOUKZ-UHFFFAOYSA-N 0 0 400.507 4.974 50 0 HJAARN COc1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)cs2)c(OC)c1 ZINC000008718867 571106046 /nfs/dbraw/zinc/10/60/46/571106046.db2.gz GZQFLRDUERGORJ-UHFFFAOYSA-N 0 0 404.488 4.697 50 0 HJAARN COc1cc(C(C)=O)ccc1O[C@@H](C)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000008726526 571108533 /nfs/dbraw/zinc/10/85/33/571108533.db2.gz NPYOXNPQTBCLNX-SFHVURJKSA-N 0 0 419.477 4.883 50 0 HJAARN O=S(=O)(c1ccc(Br)cc1)N1CCS[C@H]1c1ccccc1Cl ZINC000008834489 571122993 /nfs/dbraw/zinc/12/29/93/571122993.db2.gz ZRWURGFCCBMRNH-HNNXBMFYSA-N 0 0 418.765 4.539 50 0 HJAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)c(C)c1 ZINC000008840923 571124206 /nfs/dbraw/zinc/12/42/06/571124206.db2.gz XPESEFHQJCVPLP-UHFFFAOYSA-N 0 0 414.571 4.738 50 0 HJAARN Cc1cc(C)c2oc(C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)cc(=O)c2c1 ZINC000008843773 571124586 /nfs/dbraw/zinc/12/45/86/571124586.db2.gz CTFZHQHKKRCEPV-UHFFFAOYSA-N 0 0 408.454 4.849 50 0 HJAARN O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)[C@H]1COc2ccccc2C1 ZINC000008843829 571124651 /nfs/dbraw/zinc/12/46/51/571124651.db2.gz VFNMNEJQIJRMKT-OAHLLOKOSA-N 0 0 418.440 4.943 50 0 HJAARN Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccccc1-c1nc2ccccc2s1 ZINC000008848694 571125963 /nfs/dbraw/zinc/12/59/63/571125963.db2.gz WAMPVVMTBKNMIU-UHFFFAOYSA-N 0 0 422.531 4.928 50 0 HJAARN COc1ccc(NC(=O)Cc2csc(SCc3ccc(F)cc3)n2)cc1OC ZINC000008854121 571127478 /nfs/dbraw/zinc/12/74/78/571127478.db2.gz VNGLKFOVYSCWLZ-UHFFFAOYSA-N 0 0 418.515 4.773 50 0 HJAARN CCc1cccc(C)c1N(C(=O)Cn1c2ccccc2nc1C1CC1)[C@@H](C)COC ZINC000039907687 571134878 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COc1ccc(-c2nnc(SCc3nc4ccccc4o3)n2C[C@H]2CCCO2)cc1 ZINC000009336985 571249287 /nfs/dbraw/zinc/24/92/87/571249287.db2.gz LBBJXANESCHKSM-QGZVFWFLSA-N 0 0 422.510 4.566 50 0 HJAARN O=C1c2ccccc2N[C@H](c2ccc(-n3cnc4ccccc43)cc2)N1C[C@@H]1CCCO1 ZINC000009339199 571249669 /nfs/dbraw/zinc/24/96/69/571249669.db2.gz HQSLLIUVIJVRKM-CPJSRVTESA-N 0 0 424.504 4.771 50 0 HJAARN Cc1cc(C)c(NC(=O)CNc2ccccc2C(=O)NCc2ccco2)c(Cl)c1 ZINC000009339076 571249676 /nfs/dbraw/zinc/24/96/76/571249676.db2.gz GOEBMXRYDZSNHC-UHFFFAOYSA-N 0 0 411.889 4.530 50 0 HJAARN O=C(CSc1nn(-c2ccc(F)cc2)c(=S)s1)Nc1cc(F)ccc1F ZINC000009349101 571250485 /nfs/dbraw/zinc/25/04/85/571250485.db2.gz PMYGUJOLZOOUOL-UHFFFAOYSA-N 0 0 413.471 4.811 50 0 HJAARN Cc1nc(-c2cccc(NC(=O)CSc3nc4cc(Cl)cnc4[nH]3)c2)cs1 ZINC000009350357 571250569 /nfs/dbraw/zinc/25/05/69/571250569.db2.gz WGUXPCZZFNFJRT-UHFFFAOYSA-N 0 0 415.931 4.774 50 0 HJAARN Cc1ccc(-c2csc(NC(=O)COc3ccc4c(C)cc(=O)oc4c3)n2)cc1 ZINC000009361368 571251547 /nfs/dbraw/zinc/25/15/47/571251547.db2.gz QFKWPTTZBQNJIG-UHFFFAOYSA-N 0 0 406.463 4.551 50 0 biogenic HJAARN COc1ccccc1NC(=O)c1ccc(NC(=O)CCc2nc3ccccc3o2)cc1 ZINC000009363907 571251686 /nfs/dbraw/zinc/25/16/86/571251686.db2.gz HIAWQDZUZLDCKW-UHFFFAOYSA-N 0 0 415.449 4.660 50 0 HJAARN O=C(Nc1nnc(SCc2ccc(Br)cc2)s1)c1ccc(F)cc1 ZINC000009366812 571252045 /nfs/dbraw/zinc/25/20/45/571252045.db2.gz UEVPEEHDLTWCMS-UHFFFAOYSA-N 0 0 424.320 4.984 50 0 HJAARN Cc1cccc(C(=O)Nc2ccc(OCC(=O)N[C@H](C)CCc3ccccc3)cc2)c1 ZINC000009366525 571252046 /nfs/dbraw/zinc/25/20/46/571252046.db2.gz NAQQZUBUAINJFZ-HXUWFJFHSA-N 0 0 416.521 4.764 50 0 HJAARN O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)Nc1ccnn1C1CCCC1 ZINC000009377129 571253053 /nfs/dbraw/zinc/25/30/53/571253053.db2.gz KFBMYXGJPRFADA-UHFFFAOYSA-N 0 0 423.900 4.900 50 0 HJAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N4CCc5ccccc54)cc3)ccc12 ZINC000009387085 571254190 /nfs/dbraw/zinc/25/41/90/571254190.db2.gz CKFRPNOTPMITRL-UHFFFAOYSA-N 0 0 411.457 4.883 50 0 HJAARN COCc1nc(C(=O)N2CC[C@H](C)Sc3ccc(C(F)(F)F)cc32)cs1 ZINC000070039829 571254922 /nfs/dbraw/zinc/25/49/22/571254922.db2.gz SOMLVGPNYGGNKR-JTQLQIEISA-N 0 0 402.463 4.839 50 0 HJAARN Cc1ccc(Sc2ncccc2C(=O)Nc2ccc(N3CCOCC3)cc2)cc1C ZINC000009417205 571256292 /nfs/dbraw/zinc/25/62/92/571256292.db2.gz WAEFERLNUAHYMM-UHFFFAOYSA-N 0 0 419.550 4.939 50 0 HJAARN CCn1c(CSc2nc(C)cc(C)n2)nc2cc(NC(=O)c3ccco3)ccc21 ZINC000009421483 571257174 /nfs/dbraw/zinc/25/71/74/571257174.db2.gz PPHBHIPBDFMEPK-UHFFFAOYSA-N 0 0 407.499 4.601 50 0 HJAARN COc1cccc(-n2cc(C(=O)N(C)c3cccc(Cl)c3)c3ccccc3c2=O)c1 ZINC000009438826 571258996 /nfs/dbraw/zinc/25/89/96/571258996.db2.gz XQDBHEUHZJUZOG-UHFFFAOYSA-N 0 0 418.880 4.929 50 0 HJAARN COc1ccc(-c2nc(CSc3nncn4c5ccoc5cc34)c(C)o2)cc1OC ZINC000009442484 571259352 /nfs/dbraw/zinc/25/93/52/571259352.db2.gz JDONZPYZXBEYAT-UHFFFAOYSA-N 0 0 422.466 4.748 50 0 HJAARN COc1ccc(OC)c(-c2csc(NC(=O)c3cccc(Br)c3)n2)c1 ZINC000009443614 571259447 /nfs/dbraw/zinc/25/94/47/571259447.db2.gz WKUVVSDBDVBZSB-UHFFFAOYSA-N 0 0 419.300 4.842 50 0 HJAARN O=C(NCc1ccccc1)c1ccccc1OCc1nc(-c2ccccc2Cl)no1 ZINC000009448022 571259675 /nfs/dbraw/zinc/25/96/75/571259675.db2.gz SSJGPVHONUKQQN-UHFFFAOYSA-N 0 0 419.868 4.899 50 0 HJAARN COc1ccccc1N(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1cccs1 ZINC000009462769 571260698 /nfs/dbraw/zinc/26/06/98/571260698.db2.gz TWYONDOZMPPEAG-UHFFFAOYSA-N 0 0 404.491 4.754 50 0 HJAARN Cc1cc(SCC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)nc2ccccc12 ZINC000009466700 571261182 /nfs/dbraw/zinc/26/11/82/571261182.db2.gz DSKFTJNXHVXEPB-QGZVFWFLSA-N 0 0 402.523 4.698 50 0 HJAARN O=S(=O)(Nc1ccccc1SCc1ccsc1)c1ccc2c(c1)OCCO2 ZINC000009467951 571261309 /nfs/dbraw/zinc/26/13/09/571261309.db2.gz WZRXGKMFZFVUQO-UHFFFAOYSA-N 0 0 419.549 4.612 50 0 HJAARN Cc1ccc(Sc2ccc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4)cc2)c(C)c1 ZINC000009467422 571261327 /nfs/dbraw/zinc/26/13/27/571261327.db2.gz XVNWAPRZAFJPBI-UHFFFAOYSA-N 0 0 424.547 4.750 50 0 HJAARN O=C(Nc1ccc(F)cc1)[C@H](Nc1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000009468404 571261385 /nfs/dbraw/zinc/26/13/85/571261385.db2.gz BTQRSTHUWCFMDE-HSZRJFAPSA-N 0 0 403.457 4.744 50 0 HJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1 ZINC000009469650 571261465 /nfs/dbraw/zinc/26/14/65/571261465.db2.gz UHBIYJYMTHTXID-UHFFFAOYSA-N 0 0 424.504 4.547 50 0 HJAARN Ic1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)o1 ZINC000009477423 571261803 /nfs/dbraw/zinc/26/18/03/571261803.db2.gz XFIKCNNCHKOQJH-SFHVURJKSA-N 0 0 413.218 4.873 50 0 HJAARN Cc1ccc(Oc2ccccc2NC(=O)COc2ccc(-c3nnco3)cc2)cc1 ZINC000009481375 571262018 /nfs/dbraw/zinc/26/20/18/571262018.db2.gz DXUUKXXVYVJRHX-UHFFFAOYSA-N 0 0 401.422 4.855 50 0 HJAARN CSc1cccc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2C)c1 ZINC000009481058 571262053 /nfs/dbraw/zinc/26/20/53/571262053.db2.gz DUCXMYSXIZYQMS-UHFFFAOYSA-N 0 0 410.524 4.681 50 0 HJAARN Cc1ccc2c(Cl)cc(Cl)c(O[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)c2n1 ZINC000009492672 571262884 /nfs/dbraw/zinc/26/28/84/571262884.db2.gz OTJJSTHSYHPXKI-LLVKDONJSA-N 0 0 419.264 4.985 50 0 HJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000009493983 571263015 /nfs/dbraw/zinc/26/30/15/571263015.db2.gz SMUFQIGELZCAKH-UHFFFAOYSA-N 0 0 423.929 4.972 50 0 HJAARN CCOc1ccc2nc(Cl)c([C@@H]3CC(c4cccc(OC)c4)=NN3C(C)=O)cc2c1 ZINC000009495135 571263091 /nfs/dbraw/zinc/26/30/91/571263091.db2.gz IDEQDEARKLCLHI-QFIPXVFZSA-N 0 0 423.900 4.993 50 0 HJAARN Cc1occc1-c1nnc(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1C ZINC000009512793 571264453 /nfs/dbraw/zinc/26/44/53/571264453.db2.gz MVDNKJBGBQXVGT-IBGZPJMESA-N 0 0 422.485 4.995 50 0 HJAARN Cc1noc(C)c1COc1ccc(C(=O)N(C)Cc2nc3ccccc3s2)cc1 ZINC000009513873 571264578 /nfs/dbraw/zinc/26/45/78/571264578.db2.gz DKLLBLXOQMKDQN-UHFFFAOYSA-N 0 0 407.495 4.752 50 0 HJAARN Cc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1C ZINC000009514722 571264626 /nfs/dbraw/zinc/26/46/26/571264626.db2.gz OCVGTPAXFSCZGU-OAQYLSRUSA-N 0 0 407.510 4.791 50 0 HJAARN COc1ccc(CN(Cc2cccs2)C(=O)c2cn3c(cccc3C)n2)cc1OC ZINC000009516339 571264961 /nfs/dbraw/zinc/26/49/61/571264961.db2.gz WPAPUALGAOMICI-UHFFFAOYSA-N 0 0 421.522 4.564 50 0 HJAARN O=C(c1cccc(OCc2ccccc2)c1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009531570 571266994 /nfs/dbraw/zinc/26/69/94/571266994.db2.gz UUAFRIUCFDBILA-UHFFFAOYSA-N 0 0 420.553 4.520 50 0 HJAARN CCNc1cc(C)nc(Nc2ccc(NC(=O)c3ccc(Br)o3)cc2)n1 ZINC000009573307 571269227 /nfs/dbraw/zinc/26/92/27/571269227.db2.gz DTMANRWZMXMHTB-UHFFFAOYSA-N 0 0 416.279 4.568 50 0 HJAARN CCc1nnc(NC(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)s1 ZINC000009578711 571270206 /nfs/dbraw/zinc/27/02/06/571270206.db2.gz ZMLMLMSCZZRJOJ-UHFFFAOYSA-N 0 0 417.947 4.774 50 0 HJAARN O=C(CSc1nc2ccccc2s1)OCc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000009582833 571270987 /nfs/dbraw/zinc/27/09/87/571270987.db2.gz ISJCTAXHZDSECM-UHFFFAOYSA-N 0 0 423.515 4.727 50 0 HJAARN Clc1ccc(C2=Nn3c(nnc3-c3ccccc3Br)SC2)s1 ZINC000009582913 571271013 /nfs/dbraw/zinc/27/10/13/571271013.db2.gz XBZONBGBEKKSJJ-UHFFFAOYSA-N 0 0 411.737 4.781 50 0 HJAARN O=C(Cc1csc(-c2cccnc2)n1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000009583339 571271082 /nfs/dbraw/zinc/27/10/82/571271082.db2.gz GLJRDGLNKMHFOG-KRWDZBQOSA-N 0 0 406.536 4.721 50 0 HJAARN Cc1cc(CSc2ncccc2C(=O)NCCOc2ccc3ccccc3c2)no1 ZINC000009609244 571273501 /nfs/dbraw/zinc/27/35/01/571273501.db2.gz VYYOYTYGNOPNBS-UHFFFAOYSA-N 0 0 419.506 4.632 50 0 HJAARN O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1cccc(C(F)(F)F)c1 ZINC000009627705 571274554 /nfs/dbraw/zinc/27/45/54/571274554.db2.gz NGASDBWHPACTRI-UHFFFAOYSA-N 0 0 405.401 4.595 50 0 HJAARN COc1ccc(-n2c3ccccc3nc2SCC(=O)Nc2cccnc2Cl)cc1 ZINC000009631389 571274656 /nfs/dbraw/zinc/27/46/56/571274656.db2.gz OSFJIVLPSFVJSO-UHFFFAOYSA-N 0 0 424.913 4.813 50 0 HJAARN C[C@H](OC(=O)c1cccn1C)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000009630774 571274668 /nfs/dbraw/zinc/27/46/68/571274668.db2.gz PNYYIMQWNGSJHB-JTQLQIEISA-N 0 0 424.309 4.639 50 0 HJAARN Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(F)ccc3F)c3ccccc3n2)o1 ZINC000009632233 571274806 /nfs/dbraw/zinc/27/48/06/571274806.db2.gz HBVRPIDYUZWXFC-UHFFFAOYSA-N 0 0 422.387 4.877 50 0 HJAARN Cc1c(-c2nsc(NC(=O)c3ccc(Cl)cc3)n2)nnn1-c1ccc(C)c(C)c1 ZINC000009638200 571275292 /nfs/dbraw/zinc/27/52/92/571275292.db2.gz ZAXVITKTSGGBBR-UHFFFAOYSA-N 0 0 424.917 4.617 50 0 HJAARN COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccccc4F)cc(=O)c3c2)c1 ZINC000009660200 571277186 /nfs/dbraw/zinc/27/71/86/571277186.db2.gz GRNCGXLFAWAUKY-UHFFFAOYSA-N 0 0 419.408 4.869 50 0 biogenic HJAARN Cc1c(Cl)cnc(NC(=O)COC(=O)Cc2c(Cl)cccc2Cl)c1Cl ZINC000009664410 571277891 /nfs/dbraw/zinc/27/78/91/571277891.db2.gz VHOZWFLRTRZIKQ-UHFFFAOYSA-N 0 0 422.095 4.728 50 0 HJAARN CC(=O)N1C[C@H](C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)Oc2ccccc21 ZINC000009670595 571278583 /nfs/dbraw/zinc/27/85/83/571278583.db2.gz VZKHGEUWELQBLX-JOCHJYFZSA-N 0 0 422.868 4.885 50 0 HJAARN Cc1ccc(-n2c(=O)c3cnn(-c4ccc(Cl)cc4)c3nc2-c2ccco2)cc1F ZINC000009678210 571279067 /nfs/dbraw/zinc/27/90/67/571279067.db2.gz GQIGGYYTDNZZMQ-UHFFFAOYSA-N 0 0 420.831 4.932 50 0 HJAARN O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cc2c(s1)-c1ccccc1OC2 ZINC000009678820 571279098 /nfs/dbraw/zinc/27/90/98/571279098.db2.gz NRICQMZHAOQKMZ-UHFFFAOYSA-N 0 0 415.478 4.548 50 0 HJAARN CSc1cccc(NS(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CCC4)c1 ZINC000009685675 571280012 /nfs/dbraw/zinc/28/00/12/571280012.db2.gz XPECQTWYOHTOSO-UHFFFAOYSA-N 0 0 400.525 4.518 50 0 HJAARN Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000009717761 571281671 /nfs/dbraw/zinc/28/16/71/571281671.db2.gz PBNXIXDOHDSFQI-OAHLLOKOSA-N 0 0 422.506 4.724 50 0 HJAARN COC(=O)c1ccc(Cl)cc1NC(=O)NCc1cccn1Cc1cccc(C)c1 ZINC000009722135 571281887 /nfs/dbraw/zinc/28/18/87/571281887.db2.gz UTXHXNNGZBKWGQ-UHFFFAOYSA-N 0 0 411.889 4.607 50 0 HJAARN Cc1sc2nc([C@H](C)Sc3nnc(NCc4ccco4)s3)[nH]c(=O)c2c1C ZINC000009724131 571282127 /nfs/dbraw/zinc/28/21/27/571282127.db2.gz ITJQONGHPQLPHK-JTQLQIEISA-N 0 0 419.557 4.511 50 0 HJAARN COc1cccc(NC(=O)Cn2nc(-c3ccccc3)c3cnc4ccccc4c32)c1 ZINC000009725355 571282223 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CC(C)=CCn1c(C(=O)NCc2ccncc2)cc2scc(Br)c21 ZINC000040412433 519443634 /nfs/dbraw/zinc/44/36/34/519443634.db2.gz HAKJJTXJJIBIKW-UHFFFAOYSA-N 0 0 404.333 4.757 50 0 HJAARN CC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)Nc2ccc3cc[nH]c3c2)s1 ZINC000044921949 519470929 /nfs/dbraw/zinc/47/09/29/519470929.db2.gz AOZMFHJRRPUXMM-UHFFFAOYSA-N 0 0 404.495 4.738 50 0 HJAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cc(C)ccc1OCC(F)(F)F ZINC000040047202 519481997 /nfs/dbraw/zinc/48/19/97/519481997.db2.gz YJZRLSGSKDDCQN-IBGZPJMESA-N 0 0 418.415 4.839 50 0 HJAARN CC(=O)NCc1ccc(-c2csc(NC(=O)CCCc3ccc(Cl)cc3)n2)o1 ZINC000044375466 519674683 /nfs/dbraw/zinc/67/46/83/519674683.db2.gz JAXFOXWPFMFLKD-UHFFFAOYSA-N 0 0 417.918 4.654 50 0 HJAARN CC(=O)Nc1ccccc1-c1nc(CNC(=O)Cc2cccc3ccccc32)c(C)o1 ZINC000299755995 519749798 /nfs/dbraw/zinc/74/97/98/519749798.db2.gz BDZAUAWEKOGEKA-UHFFFAOYSA-N 0 0 413.477 4.621 50 0 HJAARN CCN(C(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O)c1ccccc1C ZINC000032753804 520129588 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CCN1C(=O)[C@]2(CC(=O)Nc3c2cnn3-c2ccc(C)c(C)c2)c2cccc(Cl)c21 ZINC000032104719 521534513 /nfs/dbraw/zinc/53/45/13/521534513.db2.gz ZPNQVHZKUPOFOE-HSZRJFAPSA-N 0 0 420.900 4.787 50 0 HJAARN CCCc1sc(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1CC ZINC000032760586 521611830 /nfs/dbraw/zinc/61/18/30/521611830.db2.gz OUKMTUJCWXSNKM-KRWDZBQOSA-N 0 0 400.592 4.601 50 0 HJAARN CCCN(CC1CC1)C(=O)c1csc(NC(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000040355601 521624403 /nfs/dbraw/zinc/62/44/03/521624403.db2.gz FSJPYTYPTWELLI-UHFFFAOYSA-N 0 0 411.449 4.676 50 0 HJAARN CCCn1c2nnc(SCc3cccc(C(F)(F)F)c3)n2c2ccsc2c1=O ZINC000045924390 521641919 /nfs/dbraw/zinc/64/19/19/521641919.db2.gz VPDQOPVLRZOMDU-UHFFFAOYSA-N 0 0 424.473 4.827 50 0 HJAARN CCc1ccccc1NC(=O)Cn1c2ccccc2nc1C(=O)c1ccc(F)cc1 ZINC000032959204 521880843 /nfs/dbraw/zinc/88/08/43/521880843.db2.gz BQARWEKLDOHIRK-UHFFFAOYSA-N 0 0 401.441 4.608 50 0 HJAARN CNC(=O)c1cccc(NC(=O)CCN2c3ccccc3Sc3ccccc32)c1C ZINC000031982153 521893064 /nfs/dbraw/zinc/89/30/64/521893064.db2.gz IDJYKCQKWCMHPJ-UHFFFAOYSA-N 0 0 417.534 4.986 50 0 HJAARN CC[C@H](C)n1c2nc(-c3ccc4c(c3)OCO4)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020603560 522071138 /nfs/dbraw/zinc/07/11/38/522071138.db2.gz PDPVCJUTJREZRV-VIFPVBQESA-N 0 0 405.426 4.758 50 0 HJAARN COc1cc(C(=O)N2CCc3sccc3[C@@H]2C)ccc1OCc1cscn1 ZINC000032424486 522092631 /nfs/dbraw/zinc/09/26/31/522092631.db2.gz RLWVIGYPCPFKQS-ZDUSSCGKSA-N 0 0 400.525 4.552 50 0 HJAARN COC(=O)c1ccc([C@H]2[C@@H](Oc3ccccc3)C(=O)N2c2cccc(Cl)c2)cc1 ZINC000001170468 522175753 /nfs/dbraw/zinc/17/57/53/522175753.db2.gz ACCYYIILDZWEFN-LEWJYISDSA-N 0 0 407.853 4.662 50 0 HJAARN CN(C)c1ccc(NC(=O)c2cc(Br)ccc2F)c(C(F)(F)F)c1 ZINC000032832481 522232915 /nfs/dbraw/zinc/23/29/15/522232915.db2.gz XGQUYNNGNYJZQG-UHFFFAOYSA-N 0 0 405.189 4.925 50 0 HJAARN COc1cc(CN(C)C(=O)Nc2ccccc2SCC(F)(F)F)ccc1O ZINC000043960743 522343249 /nfs/dbraw/zinc/34/32/49/522343249.db2.gz DLWQINFTSYVCPE-UHFFFAOYSA-N 0 0 400.422 4.719 50 0 HJAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000007057879 522411077 /nfs/dbraw/zinc/41/10/77/522411077.db2.gz YRBBCSGPQZLURB-UHFFFAOYSA-N 0 0 421.950 4.937 50 0 HJAARN CC[C@@H](NC(=O)NCc1ccc(NC(=O)C2CC2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000032936980 522732582 /nfs/dbraw/zinc/73/25/82/522732582.db2.gz NCARIYHEMFSQCS-VBSWXYJSSA-N 0 0 409.574 4.829 50 0 HJAARN COc1cc(OC)c(C2=CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c(OC)c1 ZINC000032860128 522790590 /nfs/dbraw/zinc/79/05/90/522790590.db2.gz LTYWQZDHKMCKID-UHFFFAOYSA-N 0 0 402.878 4.687 50 0 HJAARN COc1cc(OC)cc(N(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000036246173 522862263 /nfs/dbraw/zinc/86/22/63/522862263.db2.gz ROWDWIYPOKGGNX-UHFFFAOYSA-N 0 0 415.486 4.547 50 0 HJAARN COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)c1ccccc1Br ZINC000032100743 523234804 /nfs/dbraw/zinc/23/48/04/523234804.db2.gz VDGHSGKUBVPAOK-UHFFFAOYSA-N 0 0 424.254 4.913 50 0 HJAARN COCc1nn2c(ncc3c2ccn([C@@H]2CCCC[C@H]2C)c3=O)c1-c1ccccc1 ZINC000040396424 523247401 /nfs/dbraw/zinc/24/74/01/523247401.db2.gz RNTKTLZNRUKPPH-OXQOHEQNSA-N 0 0 402.498 4.609 50 0 HJAARN COCc1nn2c(ncc3c2ccn([C@H]2CCCC[C@@H]2C)c3=O)c1-c1ccc(F)cc1 ZINC000040397112 523247616 /nfs/dbraw/zinc/24/76/16/523247616.db2.gz XUWDEYRBQBFSHM-YWZLYKJASA-N 0 0 420.488 4.748 50 0 HJAARN CN(Cc1ccc2c(c1)OCO2)C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000044774942 523280350 /nfs/dbraw/zinc/28/03/50/523280350.db2.gz ARGMKEIULVSZSO-IRXDYDNUSA-N 0 0 406.507 4.733 50 0 HJAARN COc1ccc(-n2cnc3c2NC(=O)C[C@@H]3c2ccccc2OC(C)C)c(OC)c1 ZINC000044903063 523341205 /nfs/dbraw/zinc/34/12/05/523341205.db2.gz RXRSUMYDBBENPV-QGZVFWFLSA-N 0 0 407.470 4.800 50 0 HJAARN CCc1c(C)sc2c1c1nc(Cc3ccccc3)nn1c(=O)n2Cc1ccccc1 ZINC000032088897 523720454 /nfs/dbraw/zinc/72/04/54/523720454.db2.gz HOMYKJDLUSLWSI-UHFFFAOYSA-N 0 0 414.534 4.616 50 0 HJAARN COc1ccc(C(=O)N[C@@H](CCSC)c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000041154655 523724394 /nfs/dbraw/zinc/72/43/94/523724394.db2.gz YBWXCKRXTIMIRF-KRWDZBQOSA-N 0 0 417.918 4.623 50 0 HJAARN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2cccc(OC)c2)cc1 ZINC000248246907 523878487 /nfs/dbraw/zinc/87/84/87/523878487.db2.gz MRGNQPRYOOUDBA-DHLKQENFSA-N 0 0 416.477 4.955 50 0 HJAARN COc1ccc(CCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1OC ZINC000012541476 523925938 /nfs/dbraw/zinc/92/59/38/523925938.db2.gz WESJEFAWZODELQ-UHFFFAOYSA-N 0 0 407.495 4.651 50 0 HJAARN CCc1ccc(OCC(=O)Nc2nc(-c3ccc(Br)s3)ns2)cc1 ZINC000032594241 524005241 /nfs/dbraw/zinc/00/52/41/524005241.db2.gz IPWQESNEMNZBHI-UHFFFAOYSA-N 0 0 424.345 4.609 50 0 HJAARN CN(C)C(=O)c1ccccc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000032004007 524031191 /nfs/dbraw/zinc/03/11/91/524031191.db2.gz OIMAATOFFJYMOK-UHFFFAOYSA-N 0 0 404.310 4.678 50 0 HJAARN COc1ccc(C[C@@H](Cc2ccc3c(c2)OCO3)NC(=O)Nc2cccc(C)c2)cc1 ZINC000032948749 524138183 /nfs/dbraw/zinc/13/81/83/524138183.db2.gz YBAHPXSTENCXCD-NRFANRHFSA-N 0 0 418.493 4.708 50 0 HJAARN Cc1cc(C(=O)OCc2nc3ccccc3s2)c2cnn(Cc3cccs3)c2n1 ZINC000032908834 524195505 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O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)N1CCc2ccccc2C1 ZINC000002849317 557403825 /nfs/dbraw/zinc/40/38/25/557403825.db2.gz WRFSPYPJBBKAOV-UHFFFAOYSA-N 0 0 400.503 4.519 50 0 aggregator HJAARN CCCOc1ccc(C(=O)Nc2cc(C)c(I)cc2C)cc1 ZINC000002851663 557404917 /nfs/dbraw/zinc/40/49/17/557404917.db2.gz RYNDLWAUGGIVHO-UHFFFAOYSA-N 0 0 409.267 4.949 50 0 HJAARN O=C(Nc1ccccc1C(F)(F)F)c1cc2cc(Br)ccc2oc1=O ZINC000002867432 557412774 /nfs/dbraw/zinc/41/27/74/557412774.db2.gz QULMWHYDRQCOII-UHFFFAOYSA-N 0 0 412.161 4.827 50 0 HJAARN COc1ccccc1CNC(=O)c1cc(-c2ccccn2)nc2c(Cl)cccc12 ZINC000002867763 557413226 /nfs/dbraw/zinc/41/32/26/557413226.db2.gz NFEPCJRXRJVFFG-UHFFFAOYSA-N 0 0 403.869 4.889 50 0 HJAARN Cc1ccc2nc(-c3ccncc3)cc(C(=O)N[C@H](C)c3ccc4c(c3)OCO4)c2c1 ZINC000002867778 557413290 /nfs/dbraw/zinc/41/32/90/557413290.db2.gz WZJAXPCRDNFCIO-MRXNPFEDSA-N 0 0 411.461 4.825 50 0 HJAARN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1c(Cl)cccc1Cl ZINC000002876106 557417001 /nfs/dbraw/zinc/41/70/01/557417001.db2.gz 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ZINC000002953488 557430475 /nfs/dbraw/zinc/43/04/75/557430475.db2.gz KQEVYDRPHFQNLL-UHFFFAOYSA-N 0 0 409.467 4.853 50 0 HJAARN O=C(NCC1CC1)c1csc(-c2ccc(OCc3ccc(F)cc3F)cc2)n1 ZINC000034717204 557430858 /nfs/dbraw/zinc/43/08/58/557430858.db2.gz UKMPIOCVMIORIL-UHFFFAOYSA-N 0 0 400.450 4.807 50 0 HJAARN CCOc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc1Br ZINC000002960181 557431399 /nfs/dbraw/zinc/43/13/99/557431399.db2.gz VHKPNCUSZGPPMQ-XNTDXEJSSA-N 0 0 406.663 4.846 50 0 HJAARN CCCOc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000002963879 557431882 /nfs/dbraw/zinc/43/18/82/557431882.db2.gz QYWIATOAMKSRHN-OVKIHRCZSA-N 0 0 409.485 4.872 50 0 HJAARN CC(C)COc1ccc(-c2nc3s/c(=C\c4ccc(C(C)C)cc4)c(=O)n3n2)cc1 ZINC000002975879 557433340 /nfs/dbraw/zinc/43/33/40/557433340.db2.gz SYISHORAURIKEM-BKUYFWCQSA-N 0 0 419.550 4.524 50 0 HJAARN COc1ccc([C@@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c2ccccc12 ZINC000002977791 557433773 /nfs/dbraw/zinc/43/37/73/557433773.db2.gz OJYAANKLXMPTHX-HXUWFJFHSA-N 0 0 402.479 4.925 50 0 HJAARN COc1ccccc1C(=O)NC(=S)Nc1cc(-c2nc3ccccc3o2)ccc1C ZINC000002979186 557434651 /nfs/dbraw/zinc/43/46/51/557434651.db2.gz KCVVFDDMPJRHSZ-UHFFFAOYSA-N 0 0 417.490 4.939 50 0 HJAARN CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(Cl)cc2)sc2c1CCCC2 ZINC000002982357 557435785 /nfs/dbraw/zinc/43/57/85/557435785.db2.gz AFDBVLARFYPXCL-UHFFFAOYSA-N 0 0 422.959 4.584 50 0 HJAARN CCOc1ccc(OCCOCCOc2ccc(Cl)cc2Br)cc1 ZINC000002983765 557436349 /nfs/dbraw/zinc/43/63/49/557436349.db2.gz RBNPHUDNTCLMKB-UHFFFAOYSA-N 0 0 415.711 4.976 50 0 HJAARN COc1cc(S(=O)(=O)Oc2ccc(OCc3ccccc3)cc2)ccc1Cl ZINC000002986880 557436834 /nfs/dbraw/zinc/43/68/34/557436834.db2.gz IZPIVDPUBKLPDH-UHFFFAOYSA-N 0 0 404.871 4.695 50 0 HJAARN CC(C)Oc1ccc(C(=O)Nc2ccc(I)cc2Cl)cc1 ZINC000002995023 557438407 /nfs/dbraw/zinc/43/84/07/557438407.db2.gz WERGUCWVVXTMAM-UHFFFAOYSA-N 0 0 415.658 4.984 50 0 HJAARN O=C(Nc1ccc(N2CCCN(Cc3cccc(Cl)c3F)C2=O)cc1)C1CC1 ZINC000034734585 557440867 /nfs/dbraw/zinc/44/08/67/557440867.db2.gz 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557467961 /nfs/dbraw/zinc/46/79/61/557467961.db2.gz YQJFZNKEBXBRKO-UHFFFAOYSA-N 0 0 418.537 4.620 50 0 HJAARN CCCc1[nH]nc(-c2ccc(OC)c(OC)c2)c1NC(=O)c1ccc(F)cc1F ZINC000034793911 557470442 /nfs/dbraw/zinc/47/04/42/557470442.db2.gz HNOYHPYIDOOCIP-UHFFFAOYSA-N 0 0 401.413 4.577 50 0 HJAARN COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)c2ccccc2OC)c(OC)c1 ZINC000034796078 557471537 /nfs/dbraw/zinc/47/15/37/557471537.db2.gz YGGSVDLZIARPFE-UHFFFAOYSA-N 0 0 409.486 4.553 50 0 HJAARN O=C(CCC1CCCC1)N1CCN(Cc2noc(-c3ccc4ccccc4c3)n2)CC1 ZINC000034904791 557473035 /nfs/dbraw/zinc/47/30/35/557473035.db2.gz LWRVEAFYUFBCQL-UHFFFAOYSA-N 0 0 418.541 4.504 50 0 HJAARN CCOC(=O)CCC(=O)N1CCC[C@@H]1c1nc2cc(-c3cccc(C)c3)ccc2o1 ZINC000034907848 557474642 /nfs/dbraw/zinc/47/46/42/557474642.db2.gz MIHGZBPGWSANHG-HXUWFJFHSA-N 0 0 406.482 4.810 50 0 HJAARN CCOC(=O)CCC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3F)ccc2o1 ZINC000034908182 557474835 /nfs/dbraw/zinc/47/48/35/557474835.db2.gz SKACQQRQMIBVMZ-LJQANCHMSA-N 0 0 410.445 4.641 50 0 HJAARN COc1ccc(NC(=O)Nc2c(-c3ccccc3OC)nc3ccc(C)cn32)cc1 ZINC000034915082 557481907 /nfs/dbraw/zinc/48/19/07/557481907.db2.gz FTRQCKKDPNMWNK-UHFFFAOYSA-N 0 0 402.454 4.971 50 0 HJAARN COCCCNC(=O)c1cc2oc(-c3ccc(F)cc3)cc2n1Cc1ccccc1 ZINC000034922146 557484280 /nfs/dbraw/zinc/48/42/80/557484280.db2.gz CIHJGFGMDNWQMD-UHFFFAOYSA-N 0 0 406.457 4.855 50 0 HJAARN Cc1ccc(C)c(S(=O)(=O)N2CCC(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000022645107 557491339 /nfs/dbraw/zinc/49/13/39/557491339.db2.gz BOEBZKKAALIREN-UHFFFAOYSA-N 0 0 411.489 4.966 50 0 HJAARN CCOC(=O)c1cc([C@@H](C)CC)n(-c2ccc(C(=O)N(C)C3CCCCC3)cc2)n1 ZINC000022647862 557492604 /nfs/dbraw/zinc/49/26/04/557492604.db2.gz HAIZIZPOZUHVFG-KRWDZBQOSA-N 0 0 411.546 4.967 50 0 HJAARN CCCCOc1ccc(OCCCC)c2c1NC1(N2)c2ccccc2N(C(C)=O)C1=O ZINC000004057159 557507855 /nfs/dbraw/zinc/50/78/55/557507855.db2.gz UGZHOKRYRPLXOZ-UHFFFAOYSA-N 0 0 423.513 4.628 50 0 HJAARN O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)C12CC3CC(CC(C3)C1)C2 ZINC000004150921 557520602 /nfs/dbraw/zinc/52/06/02/557520602.db2.gz BCIALMXZWPZDLS-UHFFFAOYSA-N 0 0 403.935 4.925 50 0 HJAARN CC1CCN(C(=O)CSc2nc3c(c(C(F)(F)F)n2)CCc2ccccc2-3)CC1 ZINC000004223200 557530091 /nfs/dbraw/zinc/53/00/91/557530091.db2.gz RKYBMCOSMIXPHQ-UHFFFAOYSA-N 0 0 421.488 4.612 50 0 HJAARN CCCCCc1ccc([C@@]2(O)C=C(C(F)(F)F)NN2C(=O)Cc2ccccc2)cc1 ZINC000004309850 557539032 /nfs/dbraw/zinc/53/90/32/557539032.db2.gz FKBBELITKNJLTG-QFIPXVFZSA-N 0 0 418.459 4.958 50 0 HJAARN O=C(NC(=O)c1ccccc1O)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F ZINC000004334791 557543063 /nfs/dbraw/zinc/54/30/63/557543063.db2.gz CTQULWNLKJISHT-UHFFFAOYSA-N 0 0 409.747 4.895 50 0 HJAARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(CC(C)C)C(=O)c2ccco2)o1 ZINC000004345361 557544587 /nfs/dbraw/zinc/54/45/87/557544587.db2.gz VQGCUIXEOYBUKM-UHFFFAOYSA-N 0 0 408.498 4.508 50 0 HJAARN CCOc1ccc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2OC)cc1Cl ZINC000004501723 557560458 /nfs/dbraw/zinc/56/04/58/557560458.db2.gz PLTNHPNGRUIRJB-UHFFFAOYSA-N 0 0 414.845 4.845 50 0 HJAARN CC(=O)Nc1ccc(N2C(C(C)=O)=NN(c3ccccc3)[C@H]2c2cccs2)cc1 ZINC000004543748 557565204 /nfs/dbraw/zinc/56/52/04/557565204.db2.gz ULQBFWAFHAYSPN-QFIPXVFZSA-N 0 0 404.495 4.634 50 0 HJAARN Cc1ccccc1CN1c2ccc(Cl)cc2[C@@](O)(c2c[nH]c3ccccc32)C1=O ZINC000004544060 557565298 /nfs/dbraw/zinc/56/52/98/557565298.db2.gz UCRDJPSXMXMKCG-XMMPIXPASA-N 0 0 402.881 4.912 50 0 HJAARN Cc1cc(C)cc(OCC(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c1 ZINC000004554806 557566780 /nfs/dbraw/zinc/56/67/80/557566780.db2.gz AFHARYAZZPMULB-UHFFFAOYSA-N 0 0 406.873 4.708 50 0 HJAARN CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4cccc(OC(C)C)c4)c3)nn12 ZINC000004556510 557567797 /nfs/dbraw/zinc/56/77/97/557567797.db2.gz LZAYVEXNYBLTHA-UHFFFAOYSA-N 0 0 421.526 4.763 50 0 HJAARN CCOC(=O)c1sc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c(C(=O)OC)c1C ZINC000004651353 557575906 /nfs/dbraw/zinc/57/59/06/557575906.db2.gz KLQPULFMFSDVQB-UHFFFAOYSA-N 0 0 419.543 4.565 50 0 HJAARN CCc1ccccc1-n1ncc(-c2nn3c(Cc4ccccc4C)nnc3s2)c1C ZINC000004667821 557579131 /nfs/dbraw/zinc/57/91/31/557579131.db2.gz ULTDSGXRSUQQMC-UHFFFAOYSA-N 0 0 414.538 4.809 50 0 HJAARN CC(C)CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000004694502 557581935 /nfs/dbraw/zinc/58/19/35/557581935.db2.gz GWKAZQKZPGPUOI-NRFANRHFSA-N 0 0 417.571 4.593 50 0 HJAARN CSC1=N/C(=C\c2ccccc2Cl)C(=O)N1CCOc1cccc(Cl)c1 ZINC000004698165 557582822 /nfs/dbraw/zinc/58/28/22/557582822.db2.gz ODMBDQQZASSWHO-BOPFTXTBSA-N 0 0 407.322 4.975 50 0 HJAARN O=C1NC(=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1c1ccccc1 ZINC000004702421 557584327 /nfs/dbraw/zinc/58/43/27/557584327.db2.gz HCVNHFZJJQAUPS-HYARGMPZSA-N 0 0 411.436 4.926 50 0 biogenic HJAARN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(C(C)C)cc2)n2ncnc2N1 ZINC000004723430 557586613 /nfs/dbraw/zinc/58/66/13/557586613.db2.gz PZITTZAQPCLBPM-FQEVSTJZSA-N 0 0 407.905 4.983 50 0 HJAARN COc1ccc(OC)c(NC2CCN(Cc3ccc(Br)cc3)CC2)c1 ZINC000004749410 557592470 /nfs/dbraw/zinc/59/24/70/557592470.db2.gz SRESQFCSUJUCOF-UHFFFAOYSA-N 0 0 405.336 4.543 50 0 HJAARN O=C(NC(=S)Nc1ccccc1OC(F)F)C(c1ccccc1)c1ccccc1 ZINC000004749150 557592536 /nfs/dbraw/zinc/59/25/36/557592536.db2.gz VEMVNBFPVFHCKE-UHFFFAOYSA-N 0 0 412.461 4.933 50 0 HJAARN COc1ccc2nc(N3CCC(C(=O)N[C@H](C)CCc4ccccc4)CC3)sc2c1 ZINC000004757427 557594830 /nfs/dbraw/zinc/59/48/30/557594830.db2.gz UILAWDYPGVPVKP-QGZVFWFLSA-N 0 0 423.582 4.659 50 0 HJAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000004777207 557597157 /nfs/dbraw/zinc/59/71/57/557597157.db2.gz CSKOCUXMDFKYKB-UHFFFAOYSA-N 0 0 411.461 4.832 50 0 HJAARN COc1ccc(-c2noc(CCCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1 ZINC000004820659 557602740 /nfs/dbraw/zinc/60/27/40/557602740.db2.gz YKUGXNNVASHUFX-UHFFFAOYSA-N 0 0 405.376 4.725 50 0 HJAARN Cc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)c1 ZINC000004821075 557602838 /nfs/dbraw/zinc/60/28/38/557602838.db2.gz ZHMJKVGNGFRYAQ-UHFFFAOYSA-N 0 0 415.518 4.733 50 0 HJAARN Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)on2)nn1Cc1ccc(Cl)cc1 ZINC000004880489 557609209 /nfs/dbraw/zinc/60/92/09/557609209.db2.gz CNNQUWPUOJEZEW-UHFFFAOYSA-N 0 0 410.836 4.940 50 0 aggregator HJAARN COc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccc(F)cc4)c3C)no2)cc1 ZINC000004880746 557609537 /nfs/dbraw/zinc/60/95/37/557609537.db2.gz QEKBLQMLBZKJCA-UHFFFAOYSA-N 0 0 420.444 4.603 50 0 HJAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CCC(=O)Nc2ncccc2C)c1C ZINC000004909734 557612327 /nfs/dbraw/zinc/61/23/27/557612327.db2.gz JYSINLXNKJYMAC-UHFFFAOYSA-N 0 0 405.498 4.681 50 0 HJAARN CCOC(=O)c1[nH]c2c(c1Cc1ccccc1OC)C(=O)C[C@@H](c1ccccc1)C2 ZINC000004912596 557612883 /nfs/dbraw/zinc/61/28/83/557612883.db2.gz MGKJIGDKVUITJT-SFHVURJKSA-N 0 0 403.478 4.704 50 0 HJAARN CCOc1ccc([C@@H]2Cc3[nH]c(C(=O)OCCSCC)c(C)c3C(=O)C2)cc1 ZINC000004912603 557612898 /nfs/dbraw/zinc/61/28/98/557612898.db2.gz GQECYMYXSYLZIC-MRXNPFEDSA-N 0 0 401.528 4.544 50 0 HJAARN CCOC(=O)c1[nH]c2c(c1Cc1ccccc1)C(=O)C[C@@H](c1ccc(OC)cc1)C2 ZINC000004912684 557613053 /nfs/dbraw/zinc/61/30/53/557613053.db2.gz KIYJSGDNOURFEN-SFHVURJKSA-N 0 0 403.478 4.704 50 0 HJAARN CCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(OCC)c(OC)c1)C2 ZINC000004912632 557613055 /nfs/dbraw/zinc/61/30/55/557613055.db2.gz CGRJXKZTACGEGF-QGZVFWFLSA-N 0 0 413.514 4.990 50 0 HJAARN COc1ccc(-c2nnc3sc(Cc4cccc5ccccc54)nn32)cc1OC ZINC000004938725 557615024 /nfs/dbraw/zinc/61/50/24/557615024.db2.gz QZRZINLXFPNEDS-UHFFFAOYSA-N 0 0 402.479 4.614 50 0 HJAARN Cc1c(F)cccc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCC(C)C ZINC000004974176 557619218 /nfs/dbraw/zinc/61/92/18/557619218.db2.gz KECKTCKRTXWQPD-OAQYLSRUSA-N 0 0 411.477 4.547 50 0 HJAARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc(Cl)c2Cl)NC(=S)N1 ZINC000005008650 557624970 /nfs/dbraw/zinc/62/49/70/557624970.db2.gz HFKKJPFEYHMREB-MRXNPFEDSA-N 0 0 410.301 4.564 50 0 HJAARN CCCSc1nnc2c(n1)O[C@@H](c1ccc(OC)c(OC)c1)Nc1ccccc1-2 ZINC000005015378 557625833 /nfs/dbraw/zinc/62/58/33/557625833.db2.gz LXGUBWLPDHWNJN-IBGZPJMESA-N 0 0 410.499 4.561 50 0 HJAARN CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccccc1OC ZINC000005022109 557626740 /nfs/dbraw/zinc/62/67/40/557626740.db2.gz HFMURZJSVVBGOV-UHFFFAOYSA-N 0 0 416.934 4.666 50 0 HJAARN COc1ccc(OC)c(C2=Nn3c(nnc3-c3ccc(C(C)(C)C)cc3)SC2)c1 ZINC000005047452 557629518 /nfs/dbraw/zinc/62/95/18/557629518.db2.gz IFLDEBXSVZUXRI-UHFFFAOYSA-N 0 0 408.527 4.618 50 0 HJAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)N[C@H](C)c2ccccc2)c1C ZINC000005054008 557631167 /nfs/dbraw/zinc/63/11/67/557631167.db2.gz RXNVPAMLSNBAJG-GOSISDBHSA-N 0 0 404.510 4.826 50 0 HJAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CC(=O)NCCC2=CCCCC2)c1C ZINC000005054113 557631373 /nfs/dbraw/zinc/63/13/73/557631373.db2.gz WUEUWEQJADVXQV-UHFFFAOYSA-N 0 0 408.542 4.955 50 0 HJAARN N=C1S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N1c1ccc2c(c1)OCO2 ZINC000005067739 557633841 /nfs/dbraw/zinc/63/38/41/557633841.db2.gz YLHPFFGZAIWFPI-OZYICTPTSA-N 0 0 408.410 4.870 50 0 HJAARN CCCCSc1nnc2c(n1)O[C@@H](c1cccc(C)n1)N(C(C)=O)c1ccccc1-2 ZINC000005102437 557636144 /nfs/dbraw/zinc/63/61/44/557636144.db2.gz LXQOCQRNDBICML-NRFANRHFSA-N 0 0 421.526 4.578 50 0 HJAARN CCCCSc1nnc2c(n1)O[C@H](c1cccc(C)n1)N(C(C)=O)c1ccccc1-2 ZINC000005102439 557636194 /nfs/dbraw/zinc/63/61/94/557636194.db2.gz LXQOCQRNDBICML-OAQYLSRUSA-N 0 0 421.526 4.578 50 0 HJAARN Cc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)NCCc2ccccc2)cc1 ZINC000005125607 557637584 /nfs/dbraw/zinc/63/75/84/557637584.db2.gz JAQVCZPJAPXCAD-QJOMJCCJSA-N 0 0 418.924 4.778 50 0 biogenic HJAARN CC(=O)O[C@H](C)[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000005276095 557643237 /nfs/dbraw/zinc/64/32/37/557643237.db2.gz RHKDPTWPOLFLCS-INKJCRPKSA-N 0 0 418.574 4.564 50 0 HJAARN CCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C)cc1)N(c1cc(C)on1)C3=O ZINC000005322216 557644843 /nfs/dbraw/zinc/64/48/43/557644843.db2.gz GSBJARCWTSOZEH-OAQYLSRUSA-N 0 0 400.434 4.710 50 0 HJAARN CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccc(C)cc1 ZINC000005477924 557656151 /nfs/dbraw/zinc/65/61/51/557656151.db2.gz YFYGMWGQACGFJH-UHFFFAOYSA-N 0 0 400.935 4.966 50 0 HJAARN CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1cccc(OC)c1 ZINC000005478158 557656154 /nfs/dbraw/zinc/65/61/54/557656154.db2.gz UPAYVBVDMHNQLL-UHFFFAOYSA-N 0 0 416.934 4.666 50 0 HJAARN CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccccc1OC ZINC000005478076 557656157 /nfs/dbraw/zinc/65/61/57/557656157.db2.gz DIDNAQQYYUXXPB-UHFFFAOYSA-N 0 0 416.934 4.666 50 0 HJAARN COC(=O)c1ccc(COc2cc(=O)c3c(O)cc(-c4ccccc4)oc-3c2)cc1 ZINC000005910230 557680668 /nfs/dbraw/zinc/68/06/68/557680668.db2.gz DWHMSCZNTMLIDR-UHFFFAOYSA-N 0 0 402.402 4.531 50 0 biogenic HJAARN O=C(c1ccccc1)c1ccc(NC=C2N=C(c3ccc(Cl)cc3)OC2=O)cc1 ZINC000006192870 557693708 /nfs/dbraw/zinc/69/37/08/557693708.db2.gz STKXNUNAASORGT-ZHZULCJRSA-N 0 0 402.837 4.828 50 0 HJAARN COc1ccc(C)cc1-c1csc(NC(=O)c2cccc(N3CCCC3=O)c2)n1 ZINC000010579072 557707938 /nfs/dbraw/zinc/70/79/38/557707938.db2.gz YGGWKYRJRLPWLR-UHFFFAOYSA-N 0 0 407.495 4.506 50 0 HJAARN O=C(CCc1ncc(-c2ccccc2Cl)o1)NCc1cccc(NC(=O)C2CC2)c1 ZINC000010580032 557707947 /nfs/dbraw/zinc/70/79/47/557707947.db2.gz GCOQPGKXSAOXMB-UHFFFAOYSA-N 0 0 423.900 4.593 50 0 HJAARN Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccc(C)c4)cc3)CC2)cc1 ZINC000006613598 557710364 /nfs/dbraw/zinc/71/03/64/557710364.db2.gz KMIMVNUNQNGYPP-UHFFFAOYSA-N 0 0 413.521 4.518 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)[C@H](C)n1nc(-c2ccccc2)c2c(c1=O)CCCC2 ZINC000006767201 557720104 /nfs/dbraw/zinc/72/01/04/557720104.db2.gz UJTRQYZCFUKTQT-INIZCTEOSA-N 0 0 421.928 4.951 50 0 HJAARN Cc1ccc(-c2nn([C@H](C)C(=O)Nc3ccc(Cl)cc3)c(=O)c3c2CCCC3)cc1 ZINC000006767344 557720372 /nfs/dbraw/zinc/72/03/72/557720372.db2.gz CPIBLWUIFLLVQX-MRXNPFEDSA-N 0 0 421.928 4.951 50 0 HJAARN CCCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@@H](C(=O)Nc1cc(C)ccc1C)S2 ZINC000006812243 557724006 /nfs/dbraw/zinc/72/40/06/557724006.db2.gz NXMXIZFDRGBJPS-SFTDATJTSA-N 0 0 421.570 4.554 50 0 HJAARN CCOc1ccc([C@H]2Cc3[nH]c(C(=O)OCc4ccccc4)c(C)c3C(=O)C2)cc1 ZINC000006819397 557724837 /nfs/dbraw/zinc/72/48/37/557724837.db2.gz USHGNNSFSKIERA-IBGZPJMESA-N 0 0 403.478 4.992 50 0 HJAARN COc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2OC)cc1F ZINC000002623082 557735292 /nfs/dbraw/zinc/73/52/92/557735292.db2.gz QOTQIPTWXBSGRQ-UHFFFAOYSA-N 0 0 422.481 4.834 50 0 HJAARN Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)n1C ZINC000002627820 557736656 /nfs/dbraw/zinc/73/66/56/557736656.db2.gz FHMBETIPQZSLBF-UHFFFAOYSA-N 0 0 404.495 4.781 50 0 HJAARN CCCC(=O)N[C@@H](NC(=S)Nc1cccc2ccccc21)C(Cl)(Cl)Cl ZINC000002688094 557740530 /nfs/dbraw/zinc/74/05/30/557740530.db2.gz MRACTILJNJIDJP-HNNXBMFYSA-N 0 0 418.777 4.739 50 0 HJAARN Cc1ccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2cccc(O)c2)nc1 ZINC000002705005 557743761 /nfs/dbraw/zinc/74/37/61/557743761.db2.gz SKWPYEJMNFLMRX-QFIPXVFZSA-N 0 0 412.445 4.569 50 0 HJAARN O=c1c2c(nc(SCc3cccc(F)c3)n1-c1ccc(Cl)cc1)CCS2 ZINC000002720003 557746728 /nfs/dbraw/zinc/74/67/28/557746728.db2.gz CGXFLBUIVUNCFJ-UHFFFAOYSA-N 0 0 404.919 4.966 50 0 HJAARN O=C(CSc1nnc(-c2cccs2)o1)Nc1nc(-c2ccccc2)cs1 ZINC000002720358 557747108 /nfs/dbraw/zinc/74/71/08/557747108.db2.gz OMZSYHAFRBBLDL-UHFFFAOYSA-N 0 0 400.510 4.652 50 0 HJAARN CCOC(=O)c1[nH]c2ccccc2c1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000002721990 557747857 /nfs/dbraw/zinc/74/78/57/557747857.db2.gz JGAUKEQHSSRBLI-UHFFFAOYSA-N 0 0 400.862 4.794 50 0 HJAARN CC(C)n1c(=O)c2oc3ccccc3c2nc1SCC(=O)Nc1ccccc1F ZINC000002713491 557748879 /nfs/dbraw/zinc/74/88/79/557748879.db2.gz CYAZKEKNWXCSCV-UHFFFAOYSA-N 0 0 411.458 4.594 50 0 HJAARN Cc1ccc(CN2CCc3c(OCC(=O)Nc4ccc(C)cc4)cccc3C2=O)cc1 ZINC000002716416 557750506 /nfs/dbraw/zinc/75/05/06/557750506.db2.gz JQBZPNVGNQJIFW-UHFFFAOYSA-N 0 0 414.505 4.519 50 0 HJAARN O=C(c1c(F)cccc1F)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccccc1 ZINC000002724592 557753055 /nfs/dbraw/zinc/75/30/55/557753055.db2.gz QZCJBYSXWXSANC-OAQYLSRUSA-N 0 0 412.823 4.802 50 0 HJAARN Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cccc(Br)c1 ZINC000002763365 557756158 /nfs/dbraw/zinc/75/61/58/557756158.db2.gz PDKYIRDINRRHRX-UHFFFAOYSA-N 0 0 402.267 4.702 50 0 HJAARN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1ccc(Br)cc1F ZINC000007699837 557756907 /nfs/dbraw/zinc/75/69/07/557756907.db2.gz SGKFAICGAZKLMV-GHXNOFRVSA-N 0 0 405.292 4.921 50 0 HJAARN O=C(Nc1ccc(F)c(F)c1)c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F ZINC000002781969 557758549 /nfs/dbraw/zinc/75/85/49/557758549.db2.gz BSKOACZFHMIMAJ-UHFFFAOYSA-N 0 0 408.286 4.539 50 0 HJAARN CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1nnc(-c2cccnc2)s1 ZINC000002783164 557758748 /nfs/dbraw/zinc/75/87/48/557758748.db2.gz CEVDFRRYAZBTDF-CYBMUJFWSA-N 0 0 409.298 4.703 50 0 HJAARN O=C(Nc1ccc(F)cc1)c1ccn(COc2ccc(Cl)cc2Br)n1 ZINC000002795398 557765040 /nfs/dbraw/zinc/76/50/40/557765040.db2.gz JBLZHAIHKSDAFS-UHFFFAOYSA-N 0 0 424.657 4.727 50 0 HJAARN Cc1ccccc1NC(=O)CSc1nccc(-c2ccc(OC(F)F)cc2)n1 ZINC000002806631 557767049 /nfs/dbraw/zinc/76/70/49/557767049.db2.gz RYUOZPJWCQXHSG-UHFFFAOYSA-N 0 0 401.438 4.784 50 0 HJAARN CCOc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 ZINC000008187916 557774735 /nfs/dbraw/zinc/77/47/35/557774735.db2.gz DRHFTWNJKRMJRX-UHFFFAOYSA-N 0 0 419.319 4.628 50 0 HJAARN Cc1ccccc1CSc1nc2ccccc2c(=O)n1Cc1ccc2c(c1)OCO2 ZINC000002970038 557774849 /nfs/dbraw/zinc/77/48/49/557774849.db2.gz GBHLWBKLCUQRQM-UHFFFAOYSA-N 0 0 416.502 4.774 50 0 HJAARN COc1ccccc1Cn1c(=O)c2ccccc2nc1SCc1cccc(F)c1 ZINC000002969971 557774946 /nfs/dbraw/zinc/77/49/46/557774946.db2.gz COEHYIDESJSAAY-UHFFFAOYSA-N 0 0 406.482 4.885 50 0 HJAARN Cc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000008310866 557780798 /nfs/dbraw/zinc/78/07/98/557780798.db2.gz WBQPBHMZNJZZQH-FQEVSTJZSA-N 0 0 411.505 4.944 50 0 HJAARN COc1ccc(-c2nsc(SCC(=O)Nc3nc4ccccc4s3)n2)cc1 ZINC000003007393 557781025 /nfs/dbraw/zinc/78/10/25/557781025.db2.gz RYLZSIGPHBJZQB-UHFFFAOYSA-N 0 0 414.537 4.554 50 0 HJAARN CSc1nnc2c(n1)O[C@H]([C@H]1CC=C(C)CC1)Nc1ccc(Br)cc1-2 ZINC000008452715 557790972 /nfs/dbraw/zinc/79/09/72/557790972.db2.gz XEVOKVAMDQKPEH-MEDUHNTESA-N 0 0 419.348 4.900 50 0 HJAARN COc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)oc3ccccc34)CC2=O)cc1 ZINC000008475456 557792464 /nfs/dbraw/zinc/79/24/64/557792464.db2.gz RNGYZPUVGBMXMM-HNNXBMFYSA-N 0 0 400.434 4.586 50 0 HJAARN CCCCOc1ccc(C(=O)NC(=S)N(CCC)CCC)cc1Br ZINC000008564121 557795235 /nfs/dbraw/zinc/79/52/35/557795235.db2.gz MHSSVKMDIXQQHQ-UHFFFAOYSA-N 0 0 415.397 4.765 50 0 HJAARN CCOc1ccc(-c2nnc(NC(=O)c3ccccc3Br)s2)cc1 ZINC000008739862 557803652 /nfs/dbraw/zinc/80/36/52/557803652.db2.gz VGBPGRMBEGHDEZ-UHFFFAOYSA-N 0 0 404.289 4.619 50 0 HJAARN C[C@H](C(=O)Nc1ccccc1Sc1ccccc1)n1nnc(-c2cccs2)n1 ZINC000008745970 557805038 /nfs/dbraw/zinc/80/50/38/557805038.db2.gz OWDPSTKRBBKCEX-CQSZACIVSA-N 0 0 407.524 4.753 50 0 HJAARN CC(=O)c1ccc(N[C@@]2(/C=C\c3ccccc3)CC(=O)N(C3CCCCC3)C2=O)cc1 ZINC000097466840 557809053 /nfs/dbraw/zinc/80/90/53/557809053.db2.gz JPMDUQJSPKGPCF-JHYYFUGWSA-N 0 0 416.521 4.845 50 0 HJAARN Cc1cccc(-c2nnc(S[C@H](C)c3nc4ccccc4c(=O)[nH]3)n2C(C)C)c1 ZINC000008880441 557813064 /nfs/dbraw/zinc/81/30/64/557813064.db2.gz OATBNPAIPCXFPM-OAHLLOKOSA-N 0 0 405.527 4.924 50 0 HJAARN COc1ccc2c(c1)oc1c(c2=O)[C@H](c2cccc(Cl)c2)N(c2nccs2)C1=O ZINC000009042513 557820078 /nfs/dbraw/zinc/82/00/78/557820078.db2.gz NEADCLZCHMNFRM-KRWDZBQOSA-N 0 0 424.865 4.661 50 0 HJAARN COc1ccc(NC(=O)Nc2nnc(COc3ccc(Cl)c(C)c3)s2)cc1 ZINC000009041554 557820087 /nfs/dbraw/zinc/82/00/87/557820087.db2.gz CTZNLEPXKXXWQN-UHFFFAOYSA-N 0 0 404.879 4.732 50 0 HJAARN Cc1cc(OCC(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)ccc1Cl ZINC000009190356 557826887 /nfs/dbraw/zinc/82/68/87/557826887.db2.gz VEHKIIWIIOABFL-UHFFFAOYSA-N 0 0 407.857 4.547 50 0 HJAARN COCc1nn2c(ncc3c2C[C@H](c2cccs2)CC3=O)c1-c1ccc(OC)cc1 ZINC000009290266 557834760 /nfs/dbraw/zinc/83/47/60/557834760.db2.gz ZXSRYWMVULJJLJ-HNNXBMFYSA-N 0 0 419.506 4.526 50 0 HJAARN Cc1cc(C)c(OCC(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)c(Cl)c1 ZINC000009304505 557835708 /nfs/dbraw/zinc/83/57/08/557835708.db2.gz YOVAVYODPIBLAC-UHFFFAOYSA-N 0 0 421.884 4.855 50 0 HJAARN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=S)NC(=O)c1ccccc1Cl ZINC000009355069 557838516 /nfs/dbraw/zinc/83/85/16/557838516.db2.gz PJENPCCRAGFXHE-UHFFFAOYSA-N 0 0 422.897 4.978 50 0 HJAARN Cc1sc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc1-c1ccccc1 ZINC000009581727 557846165 /nfs/dbraw/zinc/84/61/65/557846165.db2.gz FAKSZVOZIHABLF-HNNXBMFYSA-N 0 0 411.914 4.764 50 0 HJAARN COC(=O)c1ccc(-n2nc(C)c3c2nc(-c2ccncc2)cc3C(F)(F)F)cc1 ZINC000009877291 557850650 /nfs/dbraw/zinc/85/06/50/557850650.db2.gz PAJURTPXLYXABC-UHFFFAOYSA-N 0 0 412.371 4.596 50 0 HJAARN Cc1ccc(NC(=O)Cn2c3cc(C)ccc3cc(CNc3ccccc3)c2=O)cc1 ZINC000010272805 557857879 /nfs/dbraw/zinc/85/78/79/557857879.db2.gz FKYLXYVBKLKQDS-UHFFFAOYSA-N 0 0 411.505 4.869 50 0 HJAARN O=C(Nc1ccc(Oc2ccccc2F)cc1)[C@@H]1CCCCN1C(=O)c1ccncc1 ZINC000011662838 558266473 /nfs/dbraw/zinc/26/64/73/558266473.db2.gz KNGFBDAZEODKJG-NRFANRHFSA-N 0 0 419.456 4.646 50 0 HJAARN Cc1csc(SCC(=O)N[C@@H]2CCCc3c2cnn3-c2cccc(C)c2C)n1 ZINC000011700716 558270481 /nfs/dbraw/zinc/27/04/81/558270481.db2.gz QTDYUJPFPWWDRR-QGZVFWFLSA-N 0 0 412.584 4.540 50 0 HJAARN Cc1cc2cc(C(=O)N3CCC[C@@H](CNC(=O)c4cc5ccccc5[nH]4)C3)ccc2o1 ZINC000011711265 558271474 /nfs/dbraw/zinc/27/14/74/558271474.db2.gz VZWBEAHLDLYFRG-KRWDZBQOSA-N 0 0 415.493 4.505 50 0 HJAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000010662177 558272273 /nfs/dbraw/zinc/27/22/73/558272273.db2.gz VZIVDHRDPXYLDO-UHFFFAOYSA-N 0 0 410.424 4.672 50 0 HJAARN O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000019760287 558276174 /nfs/dbraw/zinc/27/61/74/558276174.db2.gz RQBVCMRXOPLUHF-WUZDHUPESA-N 0 0 401.337 4.864 50 0 HJAARN O=C(c1cccc2ccccc21)N1CCN(Cc2cccc(Br)c2)CC1 ZINC000019789959 558282123 /nfs/dbraw/zinc/28/21/23/558282123.db2.gz WSQQOEFSCLJSND-UHFFFAOYSA-N 0 0 409.327 4.560 50 0 HJAARN COc1cc(CN2CCC[C@H](C(=O)c3ccc(SC)cc3)C2)c(Cl)cc1O ZINC000011841827 558287404 /nfs/dbraw/zinc/28/74/04/558287404.db2.gz NTXSGOVGEWLNTC-HNNXBMFYSA-N 0 0 405.947 4.871 50 0 HJAARN Cc1nc(CC(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)cs1 ZINC000011842242 558287513 /nfs/dbraw/zinc/28/75/13/558287513.db2.gz DDQVNRRCTGQZPR-HXUWFJFHSA-N 0 0 408.571 4.671 50 0 HJAARN O=C(C[C@@H]1C(=O)N(C2CCCCC2)c2nc3ccccc3n21)Nc1ccc(Cl)cc1 ZINC000019817407 558287959 /nfs/dbraw/zinc/28/79/59/558287959.db2.gz BZZYAIBNJLUXRJ-HXUWFJFHSA-N 0 0 422.916 4.939 50 0 HJAARN CN(Cc1ccco1)Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000011880118 558294692 /nfs/dbraw/zinc/29/46/92/558294692.db2.gz HGQUMUVNJZQFDT-UHFFFAOYSA-N 0 0 401.466 4.552 50 0 HJAARN COc1ccc(CN2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1OC ZINC000019851647 558295671 /nfs/dbraw/zinc/29/56/71/558295671.db2.gz IMRBUBWMVRAHQR-UHFFFAOYSA-N 0 0 418.537 4.814 50 0 HJAARN COc1ccc(Cl)cc1C(=O)[C@H]1CCCN(Cc2cccn2-c2nccs2)C1 ZINC000011949080 558302550 /nfs/dbraw/zinc/30/25/50/558302550.db2.gz OIYVWPRAGBZONU-HNNXBMFYSA-N 0 0 415.946 4.691 50 0 HJAARN O=C(c1cc(COc2ccc(F)cc2F)on1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000011956097 558303616 /nfs/dbraw/zinc/30/36/16/558303616.db2.gz YGIBMCNCUPSAKF-LJQANCHMSA-N 0 0 402.372 4.648 50 0 HJAARN CN(Cc1nc(C(c2ccccc2)c2ccccc2)no1)C[C@H]1Cc2ccccc2O1 ZINC000012004777 558308887 /nfs/dbraw/zinc/30/88/87/558308887.db2.gz KFTVPGRVEPGHKN-JOCHJYFZSA-N 0 0 411.505 4.685 50 0 HJAARN O=C(NC[C@@H]1CCCN(C(=O)Nc2ccccc2-c2ccccc2)C1)c1ccco1 ZINC000012055983 558315969 /nfs/dbraw/zinc/31/59/69/558315969.db2.gz QRZABUNWGHYESA-SFHVURJKSA-N 0 0 403.482 4.621 50 0 HJAARN CC[C@H](C)CC(=O)NCc1nc(-c2ccccc2NC(=O)Cc2ccccc2)oc1C ZINC000012100220 558326100 /nfs/dbraw/zinc/32/61/00/558326100.db2.gz RYRKAHUEZQNHQS-KRWDZBQOSA-N 0 0 419.525 4.884 50 0 HJAARN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)C1(c2ccccc2)CCCC1 ZINC000020096471 558331524 /nfs/dbraw/zinc/33/15/24/558331524.db2.gz UDXCKMKXCWALNU-UHFFFAOYSA-N 0 0 404.466 4.991 50 0 HJAARN NC(=O)CCN(Cc1ccccc1)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000020119817 558336981 /nfs/dbraw/zinc/33/69/81/558336981.db2.gz WVMKVTJARGOFCY-UHFFFAOYSA-N 0 0 403.507 4.787 50 0 HJAARN O=C(Nc1ccc(F)cc1F)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020149585 558340364 /nfs/dbraw/zinc/34/03/64/558340364.db2.gz XSNKGWDDFMQIOF-UHFFFAOYSA-N 0 0 407.464 4.904 50 0 HJAARN CSCCC(=O)NC[C@@H]1Cc2cc(Cl)cc(-c3ccc4[nH]ccc4c3)c2O1 ZINC000012156819 558340495 /nfs/dbraw/zinc/34/04/95/558340495.db2.gz AXYLWJIVSBBCDN-KRWDZBQOSA-N 0 0 400.931 4.661 50 0 HJAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)c2cc(F)ccc2F)CC1 ZINC000012197768 558350339 /nfs/dbraw/zinc/35/03/39/558350339.db2.gz VLLJCFMGTFSABH-UHFFFAOYSA-N 0 0 415.480 4.773 50 0 HJAARN CCCN1CCc2c(sc3ncn4nc(-c5cc6ccccc6cc5O)nc4c23)C1 ZINC000020390714 558359145 /nfs/dbraw/zinc/35/91/45/558359145.db2.gz QYPWMXPBBPNWNY-UHFFFAOYSA-N 0 0 415.522 4.633 50 0 HJAARN CCCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1 ZINC000020414426 558361158 /nfs/dbraw/zinc/36/11/58/558361158.db2.gz PNQVILZRHIXZSG-UHFFFAOYSA-N 0 0 404.445 4.909 50 0 HJAARN COc1cc2c(cc1OC)CN(C(=O)c1ccc3nc(C(F)(F)F)sc3c1)CC2 ZINC000020426834 558362546 /nfs/dbraw/zinc/36/25/46/558362546.db2.gz PEJUNKSXIGNHCD-UHFFFAOYSA-N 0 0 422.428 4.531 50 0 HJAARN Cc1c(C(=O)N(C)c2ccccc2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000012274447 558363623 /nfs/dbraw/zinc/36/36/23/558363623.db2.gz ZZYBZCWRCZWVDI-UHFFFAOYSA-N 0 0 409.449 4.661 50 0 HJAARN Cc1c2cc(C)cc(Cl)c2oc1C(=O)N1CCCC[C@H]1CCN1CCCC1=O ZINC000012297492 558367626 /nfs/dbraw/zinc/36/76/26/558367626.db2.gz OXHINQPKHGWUSL-INIZCTEOSA-N 0 0 402.922 4.710 50 0 HJAARN O=C(c1ccccc1-c1ncc[nH]1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccn1 ZINC000012305626 558374742 /nfs/dbraw/zinc/37/47/42/558374742.db2.gz SEMBMQUDDZOPHO-DEOSSOPVSA-N 0 0 419.488 4.741 50 0 HJAARN O=C(c1ccccc1-c1ncc[nH]1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccn1 ZINC000012305628 558374825 /nfs/dbraw/zinc/37/48/25/558374825.db2.gz SEMBMQUDDZOPHO-XMMPIXPASA-N 0 0 419.488 4.741 50 0 HJAARN Cc1ccc(C2(c3noc(CN4CCC(Oc5cccnc5)CC4)n3)CCCC2)cc1 ZINC000012306393 558375306 /nfs/dbraw/zinc/37/53/06/558375306.db2.gz BOYHFQSWYPBSPF-UHFFFAOYSA-N 0 0 418.541 4.677 50 0 HJAARN Cc1cccc(C[C@@H](C)NC(=O)c2ccc3nc(Cc4ccccc4F)oc3c2)n1 ZINC000012308676 558376846 /nfs/dbraw/zinc/37/68/46/558376846.db2.gz ISSTZYUIGMHHLT-MRXNPFEDSA-N 0 0 403.457 4.622 50 0 HJAARN COCc1ccc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)o1 ZINC000012308949 558376977 /nfs/dbraw/zinc/37/69/77/558376977.db2.gz AGTUXJXFXZXUFK-HSZRJFAPSA-N 0 0 421.497 4.607 50 0 HJAARN COc1ccccc1-c1cn2c(C(=O)N3CCCC[C@@H]3c3ccccn3)csc2n1 ZINC000012317215 558380522 /nfs/dbraw/zinc/38/05/22/558380522.db2.gz SWZRLMMHCMWOKR-LJQANCHMSA-N 0 0 418.522 4.834 50 0 HJAARN Clc1ccccc1-c1nnc([C@@H](NCc2ccc3c(c2)OCO3)c2ccccc2)o1 ZINC000020509703 558381918 /nfs/dbraw/zinc/38/19/18/558381918.db2.gz PTYPKZRIOKTWAZ-NRFANRHFSA-N 0 0 419.868 4.998 50 0 HJAARN Clc1ccccc1-c1nnc([C@H](NCc2ccc3c(c2)OCO3)c2ccccc2)o1 ZINC000020509706 558382122 /nfs/dbraw/zinc/38/21/22/558382122.db2.gz PTYPKZRIOKTWAZ-OAQYLSRUSA-N 0 0 419.868 4.998 50 0 HJAARN Cc1cc(=O)c(C(=O)N(C)Cc2ccsc2)c(C2CC2)n1Cc1ccc(F)cc1 ZINC000012329398 558384047 /nfs/dbraw/zinc/38/40/47/558384047.db2.gz ZBBFMYLYXBWQAU-UHFFFAOYSA-N 0 0 410.514 4.555 50 0 HJAARN COCCn1c2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020604435 558386844 /nfs/dbraw/zinc/38/68/44/558386844.db2.gz QNOSVIXIZWEAPE-UHFFFAOYSA-N 0 0 421.513 4.506 50 0 HJAARN O=C1C[C@H](c2ccccc2F)c2scc(S(=O)(=O)c3ccc(Cl)cc3)c2N1 ZINC000012375460 558391531 /nfs/dbraw/zinc/39/15/31/558391531.db2.gz VTTBLDXGVSJLLG-CQSZACIVSA-N 0 0 421.902 4.848 50 0 HJAARN Cc1nn(Cc2cccc(Cl)c2)c2nc(-c3cnn(C)c3)cc(C(F)(F)F)c12 ZINC000020615471 558392573 /nfs/dbraw/zinc/39/25/73/558392573.db2.gz SAHBFUXLVYWIRL-UHFFFAOYSA-N 0 0 405.811 4.861 50 0 HJAARN Cc1cc(C)n(CCNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)n1 ZINC000020615972 558392700 /nfs/dbraw/zinc/39/27/00/558392700.db2.gz DRLVRDGTNFUYPZ-UHFFFAOYSA-N 0 0 400.526 4.550 50 0 HJAARN Cc1ccn(-c2ccc(NC(=O)c3ccc(OCc4c(C)noc4C)cc3)cc2)n1 ZINC000020616311 558392951 /nfs/dbraw/zinc/39/29/51/558392951.db2.gz QJMCYDQYCAGTKS-UHFFFAOYSA-N 0 0 402.454 4.617 50 0 HJAARN CCN(Cc1c(C)nn(CC)c1C)C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000020616653 558393294 /nfs/dbraw/zinc/39/32/94/558393294.db2.gz WMIJPHXVVBTCFK-UHFFFAOYSA-N 0 0 421.570 4.891 50 0 HJAARN CC[C@H](C(=O)Nc1cc(C)cc(C)c1)n1ccc(C(=O)Nc2cc(C)cc(C)c2)n1 ZINC000020617439 558393704 /nfs/dbraw/zinc/39/37/04/558393704.db2.gz NELLOXYROBLQOO-JOCHJYFZSA-N 0 0 404.514 4.959 50 0 HJAARN Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)cc1 ZINC000020617521 558393846 /nfs/dbraw/zinc/39/38/46/558393846.db2.gz QFAXKURAZUTOBU-UHFFFAOYSA-N 0 0 422.872 4.962 50 0 HJAARN Cc1[nH]c2ccccc2c1[C@@H](C(=O)[O-])[NH+]1CCN(Cc2cccc3ccccc32)CC1 ZINC000020720788 558402702 /nfs/dbraw/zinc/40/27/02/558402702.db2.gz ZIVDXWXOKMLHEV-VWLOTQADSA-N 0 0 413.521 4.573 50 0 HJAARN COc1cc(CSc2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc(OC)c1OC ZINC000012418765 558402823 /nfs/dbraw/zinc/40/28/23/558402823.db2.gz RLGUCJSJRQNQHA-UHFFFAOYSA-N 0 0 416.543 4.856 50 0 HJAARN O=C(Nc1ccncc1)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000020721975 558403149 /nfs/dbraw/zinc/40/31/49/558403149.db2.gz OEAHHJZRXFGGEM-HSZRJFAPSA-N 0 0 411.505 4.773 50 0 HJAARN COc1cc(NC(=O)c2cccs2)c(-c2nc(-c3ccccc3)no2)cc1OC ZINC000020722282 558403395 /nfs/dbraw/zinc/40/33/95/558403395.db2.gz NZWVCPOSAQHVAU-UHFFFAOYSA-N 0 0 407.451 4.735 50 0 HJAARN O=C(C1=C(c2ccccc2)SCCO1)N(Cc1ccc(F)cc1)c1ccccn1 ZINC000020732239 558406826 /nfs/dbraw/zinc/40/68/26/558406826.db2.gz GWWVETJXOLZZAM-UHFFFAOYSA-N 0 0 406.482 4.886 50 0 HJAARN Cc1nn(-c2ncccn2)c2c1[C@@H](c1ccc(OC3CCCC3)cc1)SCC(=O)N2 ZINC000020737932 558408268 /nfs/dbraw/zinc/40/82/68/558408268.db2.gz MPFDXNXLRBNWIX-HXUWFJFHSA-N 0 0 421.526 4.716 50 0 HJAARN COc1cc(NC(=O)c2ccccc2F)c(-c2nc(-c3ccccc3)no2)cc1OC ZINC000020744934 558409723 /nfs/dbraw/zinc/40/97/23/558409723.db2.gz FJHWVOUZYXZOST-UHFFFAOYSA-N 0 0 419.412 4.812 50 0 HJAARN CC(C)CN1c2ccccc2[C@]2(CC(=O)Nc3c2cnn3-c2ccccc2Cl)C1=O ZINC000020745147 558409960 /nfs/dbraw/zinc/40/99/60/558409960.db2.gz KRCTZOXJFCNMOR-QHCPKHFHSA-N 0 0 420.900 4.806 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)c2ccsc2)C1 ZINC000012438608 558410053 /nfs/dbraw/zinc/41/00/53/558410053.db2.gz UYZSARLIKXYUJP-CQSZACIVSA-N 0 0 406.935 4.681 50 0 HJAARN COCC[C@H]1CCCCN1C(=O)c1csc2nc(-c3ccccc3Cl)cn12 ZINC000012443025 558413001 /nfs/dbraw/zinc/41/30/01/558413001.db2.gz RBVAFVWDWQFRHQ-CQSZACIVSA-N 0 0 403.935 4.747 50 0 HJAARN COc1ccc(N[C@H]2CCCN(C(=O)c3ccc(-c4ccc(OC)cc4)o3)C2)cc1 ZINC000012448840 558415630 /nfs/dbraw/zinc/41/56/30/558415630.db2.gz NLTCRTIFKMWSPO-IBGZPJMESA-N 0 0 406.482 4.681 50 0 HJAARN CC(=O)c1cc(CC(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)cs1 ZINC000012457343 558417776 /nfs/dbraw/zinc/41/77/76/558417776.db2.gz FKJOVYYACAOMJC-IBGZPJMESA-N 0 0 407.539 4.509 50 0 HJAARN CC(=O)c1cc(CC(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)cs1 ZINC000012457340 558417788 /nfs/dbraw/zinc/41/77/88/558417788.db2.gz FKJOVYYACAOMJC-LJQANCHMSA-N 0 0 407.539 4.509 50 0 HJAARN COc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3C)CC2=O)cc1 ZINC000012463063 558419636 /nfs/dbraw/zinc/41/96/36/558419636.db2.gz XYVMFOBZCKPSDJ-HXUWFJFHSA-N 0 0 411.505 4.922 50 0 HJAARN CCOC(=O)C1(Cc2cccc(OC)c2)CCN(Cc2c(F)ccc(F)c2F)CC1 ZINC000012466195 558420423 /nfs/dbraw/zinc/42/04/23/558420423.db2.gz FTPZMEWAMGTQSB-UHFFFAOYSA-N 0 0 421.459 4.501 50 0 HJAARN COc1cccc2cc(-c3cc(=O)oc4cc(OCC=C(C)C)ccc43)c(=O)oc21 ZINC000004340020 558426564 /nfs/dbraw/zinc/42/65/64/558426564.db2.gz LWPSEZYGHMNDIX-UHFFFAOYSA-N 0 0 404.418 4.920 50 0 biogenic HJAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)CCc1nc2ccccc2s1 ZINC000021055712 558430572 /nfs/dbraw/zinc/43/05/72/558430572.db2.gz QBCVYSGBXWFZJC-UHFFFAOYSA-N 0 0 424.444 4.912 50 0 HJAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)c3c[nH]c4ccccc43)C2)c(C)c1 ZINC000012576853 558430939 /nfs/dbraw/zinc/43/09/39/558430939.db2.gz OSDODKDYOVAAGE-SFHVURJKSA-N 0 0 419.525 4.756 50 0 HJAARN COc1ccc(-c2nsc(NC(=O)COc3cc(C)c(Cl)c(C)c3)n2)cc1 ZINC000021175535 558433116 /nfs/dbraw/zinc/43/31/16/558433116.db2.gz KHMNSZARJOLROI-UHFFFAOYSA-N 0 0 403.891 4.501 50 0 HJAARN O=C(CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1)NCc1ccsc1 ZINC000012590986 558435752 /nfs/dbraw/zinc/43/57/52/558435752.db2.gz NNIBYYJUDHWYHL-UHFFFAOYSA-N 0 0 403.507 4.638 50 0 HJAARN O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1CCC(=O)N(C2CCCC2)C1 ZINC000012593790 558436616 /nfs/dbraw/zinc/43/66/16/558436616.db2.gz FMDZTPIETIXVKZ-JOCHJYFZSA-N 0 0 404.554 4.506 50 0 HJAARN O=C(CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1)N1CCc2ccccc2C1 ZINC000012593937 558436815 /nfs/dbraw/zinc/43/68/15/558436815.db2.gz LADPGCHAVXXWLF-UHFFFAOYSA-N 0 0 423.516 4.845 50 0 HJAARN CCN(CC(=O)NC(C)(C)C)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000021351622 558436980 /nfs/dbraw/zinc/43/69/80/558436980.db2.gz PQMRPRHRVIUGAX-UHFFFAOYSA-N 0 0 406.448 4.749 50 0 HJAARN O=C(c1ccc2nc(C3CC3)oc2c1)N1CCC([C@H](O)CCc2ccccc2)CC1 ZINC000012612060 558438611 /nfs/dbraw/zinc/43/86/11/558438611.db2.gz ZZEVIRNZDFXKGB-JOCHJYFZSA-N 0 0 404.510 4.551 50 0 HJAARN CCCn1c2ccccc2nc1NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000021597874 558442628 /nfs/dbraw/zinc/44/26/28/558442628.db2.gz UVKXCUSASSAIDP-UHFFFAOYSA-N 0 0 420.900 4.562 50 0 HJAARN C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1cccc2ccccc21 ZINC000021636937 558444066 /nfs/dbraw/zinc/44/40/66/558444066.db2.gz JGYLIGPOXGFTBC-UYAOXDASSA-N 0 0 401.510 4.961 50 0 HJAARN Cc1cccc(O[C@@H](C)C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)c1 ZINC000012654011 558444230 /nfs/dbraw/zinc/44/42/30/558444230.db2.gz LVFHTFWBCDTRSX-INIZCTEOSA-N 0 0 413.905 4.903 50 0 HJAARN CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)Nc1cccc2ccccc21 ZINC000012654165 558444273 /nfs/dbraw/zinc/44/42/73/558444273.db2.gz OYYQBYNDEWBMJI-UHFFFAOYSA-N 0 0 402.454 4.952 50 0 HJAARN Cc1cccc(O[C@H](C)C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)c1 ZINC000012654007 558444324 /nfs/dbraw/zinc/44/43/24/558444324.db2.gz LVFHTFWBCDTRSX-MRXNPFEDSA-N 0 0 413.905 4.903 50 0 HJAARN O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccc(OCc2ccccc2)cc1 ZINC000012655099 558444457 /nfs/dbraw/zinc/44/44/57/558444457.db2.gz ROACPKWIPWJHRF-UHFFFAOYSA-N 0 0 419.868 4.899 50 0 HJAARN Cc1cccn2cc(COc3ccc(C(=O)Nc4nnc(CC(C)C)s4)cc3)nc12 ZINC000021747385 558447666 /nfs/dbraw/zinc/44/76/66/558447666.db2.gz KXSRSWGKQTTYGW-UHFFFAOYSA-N 0 0 421.526 4.524 50 0 HJAARN O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CCN(C(=O)c2cccnc2)CC1 ZINC000012704231 558449019 /nfs/dbraw/zinc/44/90/19/558449019.db2.gz ZLLDTLNCBBNHPX-UHFFFAOYSA-N 0 0 419.912 4.893 50 0 HJAARN O=C(CSc1nnc(Nc2ccccc2F)s1)N1CCC[C@H]1c1cccs1 ZINC000021844544 558451957 /nfs/dbraw/zinc/45/19/57/558451957.db2.gz OMTQUIYBYJFYHN-AWEZNQCLSA-N 0 0 420.560 4.938 50 0 HJAARN O=C(CCC1CCN(C(=O)c2cccs2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000012713890 558454142 /nfs/dbraw/zinc/45/41/42/558454142.db2.gz VWCSOEUVNIKJEI-UHFFFAOYSA-N 0 0 424.610 4.862 50 0 HJAARN CN(Cc1cccc(Cl)c1)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000021916384 558455403 /nfs/dbraw/zinc/45/54/03/558455403.db2.gz JYTCUYWMLRMQDV-UHFFFAOYSA-N 0 0 402.885 4.860 50 0 HJAARN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)cn1 ZINC000012717997 558455774 /nfs/dbraw/zinc/45/57/74/558455774.db2.gz JIKJZEGFTZVOFX-OAQYLSRUSA-N 0 0 400.478 4.917 50 0 HJAARN CC[C@@H](NC(=O)c1cc(COc2cccc3cnccc32)on1)c1ccc(F)cc1 ZINC000012718768 558456184 /nfs/dbraw/zinc/45/61/84/558456184.db2.gz LBMPUDNDAFQVAD-HXUWFJFHSA-N 0 0 405.429 4.822 50 0 HJAARN Fc1ccc(-c2cnc(CN3CCN(Cc4cccc(C(F)(F)F)c4)CC3)o2)cc1 ZINC000022056237 558459968 /nfs/dbraw/zinc/45/99/68/558459968.db2.gz ZROFKHJTNCPBEA-UHFFFAOYSA-N 0 0 419.422 4.817 50 0 HJAARN CCn1cnnc1C1CCN(C(=O)c2ccccc2Nc2cccc(C)c2C)CC1 ZINC000072097591 558460319 /nfs/dbraw/zinc/46/03/19/558460319.db2.gz UMFCFTFCAWOQJR-UHFFFAOYSA-N 0 0 403.530 4.678 50 0 HJAARN CCn1cnnc1C1CCN(C(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)CC1 ZINC000072097606 558460360 /nfs/dbraw/zinc/46/03/60/558460360.db2.gz VTRXJSQGHGQAAL-KRWDZBQOSA-N 0 0 400.592 4.530 50 0 HJAARN Cn1nc(-c2cccs2)cc1C(=O)N1CCS[C@@H](c2cc(F)ccc2F)CC1 ZINC000219325323 558461351 /nfs/dbraw/zinc/46/13/51/558461351.db2.gz FNXMQPBYVRAPDQ-GOSISDBHSA-N 0 0 419.522 4.747 50 0 HJAARN O=C(CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1)NC(C1CC1)C1CC1 ZINC000012763320 558461407 /nfs/dbraw/zinc/46/14/07/558461407.db2.gz PVMFCZNPZQKHFI-UHFFFAOYSA-N 0 0 401.510 4.565 50 0 HJAARN C[C@H](Oc1ccccc1)c1nc2ccccc2n1C[C@@H](O)COCc1cccs1 ZINC000022081426 558462907 /nfs/dbraw/zinc/46/29/07/558462907.db2.gz XBVOBIKFYNGXKR-ZWKOTPCHSA-N 0 0 408.523 4.816 50 0 HJAARN O=C(Nc1nnc(-c2ccco2)s1)c1csc(COc2ccc(Cl)cc2)n1 ZINC000012788905 558464268 /nfs/dbraw/zinc/46/42/68/558464268.db2.gz YBHHBDNLUMNGAC-UHFFFAOYSA-N 0 0 418.887 4.739 50 0 HJAARN C[C@@H](c1nc(=O)c2c(-c3ccccc3)csc2[nH]1)N1CCC[C@@H]1c1cccn1C ZINC000012788609 558464323 /nfs/dbraw/zinc/46/43/23/558464323.db2.gz XGOLHSORZMIRMQ-HNAYVOBHSA-N 0 0 404.539 4.888 50 0 HJAARN COc1ccccc1CC(=O)N(Cc1ccccc1)[C@H](C)c1cccc(NC(C)=O)c1 ZINC000022227783 558467481 /nfs/dbraw/zinc/46/74/81/558467481.db2.gz LREOSBLWGJFZJG-LJQANCHMSA-N 0 0 416.521 4.986 50 0 HJAARN CC(C)c1ccc(-c2noc(Cn3cnc4c(Cl)cc(Cl)cc4c3=O)n2)cc1 ZINC000012801943 558472024 /nfs/dbraw/zinc/47/20/24/558472024.db2.gz SMPZZUDSKOERGA-UHFFFAOYSA-N 0 0 415.280 4.925 50 0 HJAARN COC(=O)Cc1ccc(OCC(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1 ZINC000012804430 558472947 /nfs/dbraw/zinc/47/29/47/558472947.db2.gz SPQZRKOREDFSQE-UHFFFAOYSA-N 0 0 405.450 4.520 50 0 HJAARN COc1ccccc1C(=O)COC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000012805483 558473443 /nfs/dbraw/zinc/47/34/43/558473443.db2.gz HPLQYDQIHIZGRR-CVEARBPZSA-N 0 0 407.491 4.781 50 0 HJAARN COc1ccccc1[C@H](C)NC(=O)[C@H](C)Sc1nc(C)c(Cc2ccccc2)[nH]1 ZINC000022253287 558474081 /nfs/dbraw/zinc/47/40/81/558474081.db2.gz MWONKPZCBYPVLC-RDJZCZTQSA-N 0 0 409.555 4.676 50 0 HJAARN CCCCn1cc(NC(=O)c2cnn3c2nc(-c2ccc(C)cc2)cc3C(F)F)cn1 ZINC000012846021 558478925 /nfs/dbraw/zinc/47/89/25/558478925.db2.gz ONLSPKPKYDHVAD-UHFFFAOYSA-N 0 0 424.455 4.891 50 0 HJAARN CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(Oc3ccccc3)c2)c1 ZINC000012898771 558483758 /nfs/dbraw/zinc/48/37/58/558483758.db2.gz XHDUKSSJWDUCKW-UHFFFAOYSA-N 0 0 401.871 4.788 50 0 HJAARN CCc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000004386047 558484066 /nfs/dbraw/zinc/48/40/66/558484066.db2.gz WGUOJDZPGYBDES-IBGZPJMESA-N 0 0 405.542 4.792 50 0 HJAARN CCc1ccccc1N1C[C@@H](C(=O)N2CCC[C@H]2c2nc3ccccc3s2)CC1=O ZINC000012940246 558487113 /nfs/dbraw/zinc/48/71/13/558487113.db2.gz AMANTWPGRUPWPL-PXNSSMCTSA-N 0 0 419.550 4.575 50 0 HJAARN Cc1sc2ncn(CCC(=O)N(Cc3ccco3)c3ccc(C)cc3)c(=O)c2c1C ZINC000022416227 558488333 /nfs/dbraw/zinc/48/83/33/558488333.db2.gz XLJQXZOLMVFSTQ-UHFFFAOYSA-N 0 0 421.522 4.600 50 0 HJAARN CCOCCCNc1nnc(Sc2ncnc3sc4c(c32)CC[C@H](C)C4)s1 ZINC000022420285 558488640 /nfs/dbraw/zinc/48/86/40/558488640.db2.gz QLPOSMWLMVBVQF-NSHDSACASA-N 0 0 421.617 4.657 50 0 HJAARN Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccccc1I ZINC000012972352 558489376 /nfs/dbraw/zinc/48/93/76/558489376.db2.gz MOAHNHXXNQHAGB-UHFFFAOYSA-N 0 0 414.246 4.914 50 0 HJAARN COc1cc(C(C)=O)ccc1OCc1csc(N(C(C)=O)c2ccccc2F)n1 ZINC000012973223 558489766 /nfs/dbraw/zinc/48/97/66/558489766.db2.gz HGGMTTKIMGXNAZ-UHFFFAOYSA-N 0 0 414.458 4.757 50 0 HJAARN O=C(Nc1ccc(Cl)cc1F)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012973781 558490250 /nfs/dbraw/zinc/49/02/50/558490250.db2.gz RFLRRGPVHCEANS-JRUMVTRASA-N 0 0 404.913 4.625 50 0 HJAARN O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012976466 558491515 /nfs/dbraw/zinc/49/15/15/558491515.db2.gz NSDLREZIKZQQAZ-SJAGGWKPSA-N 0 0 404.913 4.625 50 0 HJAARN CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NCc1c(F)cccc1Cl ZINC000022474440 558491813 /nfs/dbraw/zinc/49/18/13/558491813.db2.gz JBEOQTCCAYAUKX-UHFFFAOYSA-N 0 0 413.946 4.554 50 0 HJAARN COc1cc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc(Cl)c1OC(C)C ZINC000012976829 558491805 /nfs/dbraw/zinc/49/18/05/558491805.db2.gz MBKKYFYWGFOODK-UHFFFAOYSA-N 0 0 402.878 4.515 50 0 HJAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000012977354 558491970 /nfs/dbraw/zinc/49/19/70/558491970.db2.gz WQZCNCPNGVQZAR-GFCCVEGCSA-N 0 0 403.301 4.979 50 0 HJAARN O=C(CN[C@@H](c1cccs1)c1ccc(F)cc1)Nc1cccc(Br)c1 ZINC000012981725 558493568 /nfs/dbraw/zinc/49/35/68/558493568.db2.gz AEEOFCFTJDDJHX-LJQANCHMSA-N 0 0 419.319 4.967 50 0 HJAARN O=S(=O)(c1ccccc1Br)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000012984882 558494997 /nfs/dbraw/zinc/49/49/97/558494997.db2.gz MFZGFYKAXWIXOB-CQSZACIVSA-N 0 0 423.357 4.585 50 0 HJAARN CCOC(=O)c1cc(C(CC)CC)n(-c2ccc(C(=O)N3CCC(C)CC3)cc2)n1 ZINC000022649946 558503973 /nfs/dbraw/zinc/50/39/73/558503973.db2.gz ZBHPXWLWNVLHOV-UHFFFAOYSA-N 0 0 411.546 4.825 50 0 HJAARN CCOc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cccc3cccnc32)cc1 ZINC000010851275 558504428 /nfs/dbraw/zinc/50/44/28/558504428.db2.gz VBPQTEIZSCKWBS-UHFFFAOYSA-N 0 0 422.506 4.618 50 0 HJAARN Cc1cc(-c2csc(NC(=O)c3ccc(F)cc3F)n2)c(C)n1C[C@@H]1CCCO1 ZINC000013041445 558507544 /nfs/dbraw/zinc/50/75/44/558507544.db2.gz CMEBMQWLJWJZHV-HNNXBMFYSA-N 0 0 417.481 4.938 50 0 HJAARN O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(-c2ccccc2F)o1 ZINC000013102691 558514363 /nfs/dbraw/zinc/51/43/63/558514363.db2.gz BCOSHFJZHCBFJG-UHFFFAOYSA-N 0 0 423.469 4.784 50 0 HJAARN O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)c1ccccc1F ZINC000013114803 558515861 /nfs/dbraw/zinc/51/58/61/558515861.db2.gz PFMDGRVBRBSRLJ-UHFFFAOYSA-N 0 0 417.893 4.960 50 0 HJAARN Cc1cc(F)ccc1N[C@H](CNS(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000013133820 558520520 /nfs/dbraw/zinc/52/05/20/558520520.db2.gz BNWPVMAOBUZKHE-QGZVFWFLSA-N 0 0 424.950 4.981 50 0 HJAARN C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000013141646 558522163 /nfs/dbraw/zinc/52/21/63/558522163.db2.gz GUBFGXFVMDSYFC-HDICACEKSA-N 0 0 406.555 4.816 50 0 HJAARN COc1ccc([C@@H]2Nn3c(nnc3C(C)(C)C)S[C@H]2C(=O)c2ccc(C)cc2)cc1 ZINC000013150373 558523785 /nfs/dbraw/zinc/52/37/85/558523785.db2.gz BTMRSCOHDHNIBH-AZUAARDMSA-N 0 0 422.554 4.535 50 0 HJAARN O=C(c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F)N1CCc2sccc2C1 ZINC000022969499 558528218 /nfs/dbraw/zinc/52/82/18/558528218.db2.gz HZIWJIVSUYKRSE-UHFFFAOYSA-N 0 0 411.836 4.805 50 0 HJAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)Cc2nc(-c3ccccc3)oc2C)c1 ZINC000023007601 558530006 /nfs/dbraw/zinc/53/00/06/558530006.db2.gz ZKXDNASYDIVWMI-NRFANRHFSA-N 0 0 406.482 4.573 50 0 HJAARN COc1ccc(NC(=O)Nc2ccc(OC)c(OC(F)F)c2)cc1OC(F)F ZINC000023043083 558531633 /nfs/dbraw/zinc/53/16/33/558531633.db2.gz ZZENMGYBLRTZHQ-UHFFFAOYSA-N 0 0 404.316 4.551 50 0 HJAARN COc1ccc2oc(-c3csc(NC(=O)c4cc5ccccc5oc4=O)n3)cc2c1 ZINC000010882763 558537921 /nfs/dbraw/zinc/53/79/21/558537921.db2.gz PBKGYKJNPDOOAO-UHFFFAOYSA-N 0 0 418.430 4.924 50 0 HJAARN COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccc(C)cc1C ZINC000013568058 558541458 /nfs/dbraw/zinc/54/14/58/558541458.db2.gz CTCMDNHTHPYFCJ-UHFFFAOYSA-N 0 0 403.438 4.533 50 0 HJAARN CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1ccoc1COc1ccc(Cl)cc1 ZINC000013608914 558548122 /nfs/dbraw/zinc/54/81/22/558548122.db2.gz LHHRJRLFIHNHHE-UHFFFAOYSA-N 0 0 422.868 4.626 50 0 HJAARN Cc1ccc(C)c(NC(=O)c2cc(C)nc3onc(-c4ccc5c(c4)OCO5)c32)c1 ZINC000013641203 558555421 /nfs/dbraw/zinc/55/54/21/558555421.db2.gz IJIOQOKBVXEHJH-UHFFFAOYSA-N 0 0 401.422 4.796 50 0 HJAARN CSc1ccccc1C(=O)N1CCC(c2n[nH]cc2CCc2ccccc2)CC1 ZINC000023541012 558561221 /nfs/dbraw/zinc/56/12/21/558561221.db2.gz ITAZAVCMVYKUJT-UHFFFAOYSA-N 0 0 405.567 4.937 50 0 HJAARN CC(C)c1ccc(-c2nonc2NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)cc1 ZINC000013687919 558570573 /nfs/dbraw/zinc/57/05/73/558570573.db2.gz MHTAFNKNXSXIEI-UHFFFAOYSA-N 0 0 409.829 4.872 50 0 HJAARN Cc1c(C)n(C(C)C)c(NC(=O)c2cccc(F)c2)c1S(=O)(=O)c1ccccc1 ZINC000013689437 558571855 /nfs/dbraw/zinc/57/18/55/558571855.db2.gz KQNHASFFKGNYPS-UHFFFAOYSA-N 0 0 414.502 4.910 50 0 HJAARN Cc1c(C)n(C(C)C)c(NC(=O)c2cccs2)c1S(=O)(=O)c1ccccc1 ZINC000013691030 558573008 /nfs/dbraw/zinc/57/30/08/558573008.db2.gz AVFSAIAUKCXGJG-UHFFFAOYSA-N 0 0 402.541 4.832 50 0 HJAARN CC(C)Cc1cc(-c2nnc3sc(COc4ccc(Cl)cc4Cl)nn32)n[nH]1 ZINC000013691172 558573151 /nfs/dbraw/zinc/57/31/51/558573151.db2.gz OJSJCMJQRIEVEG-UHFFFAOYSA-N 0 0 423.329 4.660 50 0 HJAARN Cc1noc2nc(-c3ccco3)cc(C(=O)N(C)Cc3ccccc3N3CCCC3)c12 ZINC000023749814 558573589 /nfs/dbraw/zinc/57/35/89/558573589.db2.gz HUKPWRJOIAFOMV-UHFFFAOYSA-N 0 0 416.481 4.664 50 0 HJAARN CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)Cc1ccccc1 ZINC000013692930 558574426 /nfs/dbraw/zinc/57/44/26/558574426.db2.gz ZVRDRVFIKZOTEG-UHFFFAOYSA-N 0 0 424.566 4.837 50 0 HJAARN Cc1cc(C)n2c3ccccc3nc2c1-c1nn2c(nnc2-c2cccs2)s1 ZINC000013720649 558581652 /nfs/dbraw/zinc/58/16/52/558581652.db2.gz ZRLPYQMRAHUCEM-UHFFFAOYSA-N 0 0 402.508 4.999 50 0 HJAARN c1ccc2c(c1)ccc(Oc1ncnc3sc4c(c31)CCC4)c2CN1CCOCC1 ZINC000023983442 558583352 /nfs/dbraw/zinc/58/33/52/558583352.db2.gz WMEIOFADSXUBCN-UHFFFAOYSA-N 0 0 417.534 4.958 50 0 HJAARN COC(=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)c1cc(=O)oc2cc(OC)ccc21 ZINC000013723920 558583578 /nfs/dbraw/zinc/58/35/78/558583578.db2.gz ZIVIOGXNABJZPG-HNNXBMFYSA-N 0 0 407.249 4.608 50 0 HJAARN Cc1nn(C)c2ncc(NC(=O)c3cccc4c(=O)c(C)c(-c5ccccc5)oc34)cc12 ZINC000024032778 558585321 /nfs/dbraw/zinc/58/53/21/558585321.db2.gz DCHUORXLKLOZIN-UHFFFAOYSA-N 0 0 424.460 4.611 50 0 HJAARN Cc1ccc(-n2c(S[C@@H](C)c3nc(C(C)(C)C)no3)nnc2N2CCCC2)cc1 ZINC000024047910 558586452 /nfs/dbraw/zinc/58/64/52/558586452.db2.gz SPKRARVFIJYPGE-HNNXBMFYSA-N 0 0 412.563 4.710 50 0 HJAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(-n2ccnc2)cc1 ZINC000024050325 558586936 /nfs/dbraw/zinc/58/69/36/558586936.db2.gz JQCNGGJFJSJMPQ-UHFFFAOYSA-N 0 0 419.488 4.655 50 0 HJAARN O=C(Nc1nc([C@@H]2COc3ccccc3O2)cs1)c1cccc(Br)c1 ZINC000013732466 558587136 /nfs/dbraw/zinc/58/71/36/558587136.db2.gz YXANNZVGRSUXCA-INIZCTEOSA-N 0 0 417.284 4.670 50 0 HJAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC(C)C)C(=O)C2CC2)s1 ZINC000004459353 558590297 /nfs/dbraw/zinc/59/02/97/558590297.db2.gz BXCACKHCBCRVAM-UHFFFAOYSA-N 0 0 416.562 4.619 50 0 HJAARN CC(C)(C)c1ccc(C2(C(=O)NC3CCN(C(=O)c4ccoc4)CC3)CCCC2)cc1 ZINC000024467383 558598450 /nfs/dbraw/zinc/59/84/50/558598450.db2.gz ZACBWPGJHRQQQQ-UHFFFAOYSA-N 0 0 422.569 4.810 50 0 HJAARN Fc1ccc(CSc2nc(CN3CCOCC3)nc3ccccc32)c(Cl)c1 ZINC000024527680 558600139 /nfs/dbraw/zinc/60/01/39/558600139.db2.gz DYIUUMUPHIQGAL-UHFFFAOYSA-N 0 0 403.910 4.547 50 0 HJAARN O=C(Nc1nc2ccccc2s1)c1cc(I)ccc1Cl ZINC000013897352 558600509 /nfs/dbraw/zinc/60/05/09/558600509.db2.gz FZEIYJIEEMFWEH-UHFFFAOYSA-N 0 0 414.655 4.807 50 0 HJAARN Cc1cc(C)cc(-n2ccnc(SCC(=O)Nc3ccc(C(C)C)cc3)c2=O)c1 ZINC000004484290 558603608 /nfs/dbraw/zinc/60/36/08/558603608.db2.gz YSVUGAAAVBMGEU-UHFFFAOYSA-N 0 0 407.539 4.704 50 0 HJAARN Cc1cccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c1 ZINC000013936211 558603782 /nfs/dbraw/zinc/60/37/82/558603782.db2.gz SVQCALTZXXNHNX-UHFFFAOYSA-N 0 0 411.552 4.913 50 0 HJAARN c1ccc(Cn2c3ccccc3c3nnc(SCn4nnc5ccccc54)nc32)cc1 ZINC000013942903 558605153 /nfs/dbraw/zinc/60/51/53/558605153.db2.gz HJLIPRMIQRRVEL-UHFFFAOYSA-N 0 0 423.505 4.522 50 0 HJAARN O=C(Nc1ccccc1NC(=O)c1cc2ccccc2oc1=O)c1ccc(Cl)cc1 ZINC000024644480 558605944 /nfs/dbraw/zinc/60/59/44/558605944.db2.gz QXJCFNQECIDNET-UHFFFAOYSA-N 0 0 418.836 4.951 50 0 HJAARN COc1ccccc1CN(Cc1cccs1)C(=O)COc1ccc(F)cc1F ZINC000024682818 558607427 /nfs/dbraw/zinc/60/74/27/558607427.db2.gz AOKWPYPSKWUWNM-UHFFFAOYSA-N 0 0 403.450 4.643 50 0 HJAARN Cc1cccc(NS(=O)(=O)c2cc(NC(=O)c3c[nH]c4ccccc34)ccc2C)c1 ZINC000024747501 558609783 /nfs/dbraw/zinc/60/97/83/558609783.db2.gz KIIGKLFWYWKQSS-UHFFFAOYSA-N 0 0 419.506 4.838 50 0 HJAARN COc1ccc(-c2csc(NC(=O)CSc3ccc(F)cc3)n2)cc1OC ZINC000004496726 558610970 /nfs/dbraw/zinc/61/09/70/558610970.db2.gz CKNBYWSKDFBSNT-UHFFFAOYSA-N 0 0 404.488 4.697 50 0 HJAARN CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2coc(-c3ccc(C)cc3C)n2)C1=O ZINC000024764070 558611227 /nfs/dbraw/zinc/61/12/27/558611227.db2.gz ZJMVDGUHUPZDKB-HSZRJFAPSA-N 0 0 423.900 4.969 50 0 HJAARN Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc1 ZINC000004496192 558614853 /nfs/dbraw/zinc/61/48/53/558614853.db2.gz GKJJSKUWXURUBB-UHFFFAOYSA-N 0 0 414.552 4.538 50 0 HJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000024886683 558619111 /nfs/dbraw/zinc/61/91/11/558619111.db2.gz LJRREMJXOGZHDX-UHFFFAOYSA-N 0 0 405.889 4.844 50 0 HJAARN Nn1c(Cc2cccc3ccccc32)nnc1SCCOc1ccccc1Cl ZINC000014095062 558619714 /nfs/dbraw/zinc/61/97/14/558619714.db2.gz KGCFWECQHYGMPQ-UHFFFAOYSA-N 0 0 410.930 4.560 50 0 HJAARN CCCCN1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2C)CC1=O ZINC000014095533 558619916 /nfs/dbraw/zinc/61/99/16/558619916.db2.gz LCQSTZDGZLJOEH-FQEVSTJZSA-N 0 0 405.542 4.930 50 0 HJAARN O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1cc(Cl)ccc1F ZINC000010970882 558622109 /nfs/dbraw/zinc/62/21/09/558622109.db2.gz NZFKPHIKXBHHCL-UHFFFAOYSA-N 0 0 417.893 4.692 50 0 HJAARN CCN(Cc1cccc(F)c1)C(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000024984104 558624546 /nfs/dbraw/zinc/62/45/46/558624546.db2.gz BNXNLFAXQXSTDY-QFIPXVFZSA-N 0 0 400.494 4.916 50 0 HJAARN O=C(CSC(c1ccccc1)c1ccccc1)OCC(=O)N1CCc2ccccc21 ZINC000014141267 558625020 /nfs/dbraw/zinc/62/50/20/558625020.db2.gz MYGVZAIXESWFIP-UHFFFAOYSA-N 0 0 417.530 4.642 50 0 HJAARN C[C@H]1CC2(CCCC2)N2C(=O)[C@]3(NCCc4c5ccccc5[nH]c43)c3cc(F)cc1c32 ZINC000014162438 558626323 /nfs/dbraw/zinc/62/63/23/558626323.db2.gz NIYJZVRPYNEMJD-HAWMADMCSA-N 0 0 415.512 4.863 50 0 biogenic HJAARN C[C@H]1CN(Cc2ccc(C(=O)Nc3ccc(-c4nccs4)cc3)cc2)C[C@H](C)O1 ZINC000025080997 558630917 /nfs/dbraw/zinc/63/09/17/558630917.db2.gz WSDUDPYGJOQHTF-IRXDYDNUSA-N 0 0 407.539 4.672 50 0 HJAARN Cc1ccc2cc(C(=O)Nc3cccc(S(=O)(=O)C4CCCC4)c3)c(C)nc2c1 ZINC000025140096 558632443 /nfs/dbraw/zinc/63/24/43/558632443.db2.gz DTXBTRAMLPYTQH-UHFFFAOYSA-N 0 0 408.523 4.820 50 0 HJAARN CCOc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 ZINC000014189975 558632428 /nfs/dbraw/zinc/63/24/28/558632428.db2.gz UIADDRZGGSNSRU-REWPJTCUSA-N 0 0 421.541 4.693 50 0 HJAARN CCN1c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2OCC(C)(C)C1=O ZINC000010972175 558633072 /nfs/dbraw/zinc/63/30/72/558633072.db2.gz JIPGJLVJFVQYSZ-UHFFFAOYSA-N 0 0 406.404 4.729 50 0 HJAARN O=C(CCc1nc2ccccc2s1)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000010975561 558633267 /nfs/dbraw/zinc/63/32/67/558633267.db2.gz GTURELVPRYMCML-UHFFFAOYSA-N 0 0 413.974 4.617 50 0 HJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCc3sccc3[C@@H]2C)cc1 ZINC000014196491 558633474 /nfs/dbraw/zinc/63/34/74/558633474.db2.gz FFYZZIXFCQZXTO-HNNXBMFYSA-N 0 0 415.518 4.515 50 0 HJAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl)c1ccc2n[nH]nc2c1 ZINC000025180228 558633943 /nfs/dbraw/zinc/63/39/43/558633943.db2.gz MMUROCRBJRWLCK-KRWDZBQOSA-N 0 0 415.884 4.655 50 0 HJAARN CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 ZINC000014198944 558635022 /nfs/dbraw/zinc/63/50/22/558635022.db2.gz QDMMADIAJGCNIO-IBGZPJMESA-N 0 0 413.518 4.584 50 0 HJAARN O=C1NCCCC[C@H]1Sc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 ZINC000010990276 558642120 /nfs/dbraw/zinc/64/21/20/558642120.db2.gz VRDGKOMKSFMEOV-QGZVFWFLSA-N 0 0 412.540 4.835 50 0 HJAARN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N2CCC(c3ccccc3)CC2)c1 ZINC000025520250 558642628 /nfs/dbraw/zinc/64/26/28/558642628.db2.gz NBVWGFBVHJRJKM-UHFFFAOYSA-N 0 0 406.555 4.712 50 0 HJAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1OCc1ccc(F)cc1 ZINC000014240709 558643546 /nfs/dbraw/zinc/64/35/46/558643546.db2.gz ZIQYKIHQYVPERG-UHFFFAOYSA-N 0 0 420.484 4.732 50 0 HJAARN Cc1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2-n2cccc2)cc1C ZINC000004518676 558645530 /nfs/dbraw/zinc/64/55/30/558645530.db2.gz YDLBEONRADPTDR-UHFFFAOYSA-N 0 0 409.559 4.786 50 0 HJAARN Cc1cc(C)c(NC(=O)CNC(=O)CCc2ccc(-c3ccccc3F)o2)c(C)c1 ZINC000014247120 558648043 /nfs/dbraw/zinc/64/80/43/558648043.db2.gz SBHWXDRDJHUXRU-UHFFFAOYSA-N 0 0 408.473 4.698 50 0 HJAARN Cn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@@H]1COc2ccccc2O1 ZINC000014254554 558651160 /nfs/dbraw/zinc/65/11/60/558651160.db2.gz GSNIKEBHDQBRLF-INIZCTEOSA-N 0 0 408.310 4.927 50 0 HJAARN Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000025989954 558653240 /nfs/dbraw/zinc/65/32/40/558653240.db2.gz IHLAVVLRVKQMSB-HXUWFJFHSA-N 0 0 408.885 4.945 50 0 HJAARN O=C(Nc1cc(-c2ccncc2)[nH]n1)c1ccc(COc2ccc(F)cc2Cl)o1 ZINC000072255955 558653330 /nfs/dbraw/zinc/65/33/30/558653330.db2.gz UKYAXSPLQFPJGN-UHFFFAOYSA-N 0 0 412.808 4.689 50 0 HJAARN O=C1N[C@@H](/C=C\c2ccccc2)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000004525917 558653339 /nfs/dbraw/zinc/65/33/39/558653339.db2.gz AGPRADGRDMXMEJ-AXUYNXDZSA-N 0 0 401.535 4.501 50 0 HJAARN O=C(Nc1cc(Cl)ccc1Cl)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000014427167 558654700 /nfs/dbraw/zinc/65/47/00/558654700.db2.gz LCYNKGZLALVWHB-UHFFFAOYSA-N 0 0 410.260 4.945 50 0 HJAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)cc1C ZINC000026089614 558654927 /nfs/dbraw/zinc/65/49/27/558654927.db2.gz PSVLINMOJFPNBX-UHFFFAOYSA-N 0 0 421.547 4.795 50 0 HJAARN CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)CCCn1c(C)csc1=O ZINC000026390501 558660214 /nfs/dbraw/zinc/66/02/14/558660214.db2.gz APQIHNIFNYPFNH-UHFFFAOYSA-N 0 0 415.481 4.502 50 0 HJAARN Cc1oc(-c2cccs2)nc1CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000026394419 558660420 /nfs/dbraw/zinc/66/04/20/558660420.db2.gz HDOCLFDGNBKRIC-GOSISDBHSA-N 0 0 424.522 4.779 50 0 HJAARN Cc1oc(-c2cccs2)nc1CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000026394425 558660435 /nfs/dbraw/zinc/66/04/35/558660435.db2.gz HDOCLFDGNBKRIC-SFHVURJKSA-N 0 0 424.522 4.779 50 0 HJAARN C[C@H](OC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C(=O)N1CCCc2ccccc21 ZINC000026412255 558660613 /nfs/dbraw/zinc/66/06/13/558660613.db2.gz IYAKCUFZXKIFJP-INIZCTEOSA-N 0 0 424.497 4.558 50 0 HJAARN COc1ccc(-c2nnc([C@@H](C)Sc3nnc(-c4cccnc4)n3C3CC3)o2)cc1 ZINC000026411302 558660622 /nfs/dbraw/zinc/66/06/22/558660622.db2.gz ZFUGCORVOTYHJN-CYBMUJFWSA-N 0 0 420.498 4.587 50 0 HJAARN COc1ccccc1O[C@H](C)C(=O)Nc1ccc(NC(=O)c2cccc(C)c2)cc1 ZINC000014553172 558660996 /nfs/dbraw/zinc/66/09/96/558660996.db2.gz NUZQYGRBVBBPFY-QGZVFWFLSA-N 0 0 404.466 4.662 50 0 HJAARN Cc1ccc(C)c(NC(=O)CN2CCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000026456721 558661260 /nfs/dbraw/zinc/66/12/60/558661260.db2.gz IFLZVECQQYXYOI-IBGZPJMESA-N 0 0 420.340 4.652 50 0 HJAARN CCc1ccccc1NC(=O)CN1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000026457773 558661379 /nfs/dbraw/zinc/66/13/79/558661379.db2.gz MFZUPAPNXDOZHY-IBGZPJMESA-N 0 0 420.340 4.597 50 0 HJAARN O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCN(c2ccccc2O)CC1 ZINC000026526362 558662323 /nfs/dbraw/zinc/66/23/23/558662323.db2.gz RGUFQYMERKCTQM-UHFFFAOYSA-N 0 0 422.912 4.587 50 0 HJAARN Cc1ccccc1-c1nc2s/c(=C/c3ccc(-c4ccccc4Cl)o3)c(=O)n2n1 ZINC000026533639 558662571 /nfs/dbraw/zinc/66/25/71/558662571.db2.gz MWXJSNYDZXSXLI-XDHOZWIPSA-N 0 0 419.893 4.588 50 0 HJAARN COc1ccc(-c2csc(CNC(=O)c3ccc(Br)cc3)n2)cc1 ZINC000072264942 558663932 /nfs/dbraw/zinc/66/39/32/558663932.db2.gz AVOAZFQIBVSANK-UHFFFAOYSA-N 0 0 403.301 4.511 50 0 HJAARN CCOC(=O)Cc1csc(Sc2ncnc3sc4c(c32)CCCCC4)n1 ZINC000026757559 558664798 /nfs/dbraw/zinc/66/47/98/558664798.db2.gz PTRPNAHDFCMMPH-UHFFFAOYSA-N 0 0 405.570 4.674 50 0 HJAARN O=C(Nc1ccc(OC[C@H](O)COc2ccc(Cl)cc2Cl)cc1)c1ccco1 ZINC000027213339 558670885 /nfs/dbraw/zinc/67/08/85/558670885.db2.gz NBODJMNINAGGLS-HNNXBMFYSA-N 0 0 422.264 4.657 50 0 HJAARN CCC(CC)c1nnc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)s1 ZINC000014857061 558674975 /nfs/dbraw/zinc/67/49/75/558674975.db2.gz HOLDQAYANWCARE-UHFFFAOYSA-N 0 0 413.522 4.898 50 0 HJAARN COc1cccc(-n2c(CN(C)Cc3ccc(C)o3)nnc2SCC(C)C)c1 ZINC000014882734 558676682 /nfs/dbraw/zinc/67/66/82/558676682.db2.gz GECRSFXCLCXOLA-UHFFFAOYSA-N 0 0 400.548 4.557 50 0 HJAARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3csc(-c4cccnc4)n3)c2)C1 ZINC000027663278 558678770 /nfs/dbraw/zinc/67/87/70/558678770.db2.gz PSOCBIHFIPHJAY-IYBDPMFKSA-N 0 0 413.568 4.539 50 0 HJAARN Cc1noc(C)c1CCC(=O)N[C@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1 ZINC000014953130 558681432 /nfs/dbraw/zinc/68/14/32/558681432.db2.gz LPOMSZLVAGMEKI-QFIPXVFZSA-N 0 0 420.557 4.901 50 0 HJAARN CC(C)c1noc([C@@H](C)Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)n1 ZINC000027776514 558682335 /nfs/dbraw/zinc/68/23/35/558682335.db2.gz AFKMTEIEWZMXAU-CHWSQXEVSA-N 0 0 405.549 4.545 50 0 HJAARN Cc1ccc(CN(C(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)c2ccccn2)o1 ZINC000027792945 558682443 /nfs/dbraw/zinc/68/24/43/558682443.db2.gz AGQXRJMVWPGEQU-UHFFFAOYSA-N 0 0 408.841 4.898 50 0 HJAARN CSc1ncc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2F)cn1 ZINC000014957467 558682901 /nfs/dbraw/zinc/68/29/01/558682901.db2.gz FSDNOTOXJOPEFE-QFIPXVFZSA-N 0 0 404.514 4.967 50 0 HJAARN CCc1ccc(O[C@@H](C)C(=O)NCCc2csc(-c3ccc(OC)cc3)n2)cc1 ZINC000027994937 558689219 /nfs/dbraw/zinc/68/92/19/558689219.db2.gz XRCWONTYNOQUMS-INIZCTEOSA-N 0 0 410.539 4.507 50 0 HJAARN CC(C)OCc1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000028043696 558690111 /nfs/dbraw/zinc/69/01/11/558690111.db2.gz DXNRKQHYFZASRQ-UHFFFAOYSA-N 0 0 421.868 4.762 50 0 HJAARN CC(C)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000028208557 558692616 /nfs/dbraw/zinc/69/26/16/558692616.db2.gz DFJOVLFNCFHPLM-UHFFFAOYSA-N 0 0 414.571 4.556 50 0 HJAARN CCOc1ccc(-c2nsc(NC(=O)[C@H](CC)Oc3ccc(F)cc3)n2)cc1 ZINC000028287932 558694993 /nfs/dbraw/zinc/69/49/93/558694993.db2.gz LVXDJGBLPGSVLJ-KRWDZBQOSA-N 0 0 401.463 4.539 50 0 HJAARN Cc1ccc(CCC(=O)N[C@@H](C)c2nnc(SCc3ccccc3C)n2C)cc1 ZINC000014994126 558695489 /nfs/dbraw/zinc/69/54/89/558695489.db2.gz GFJMHDRHZWRURK-SFHVURJKSA-N 0 0 408.571 4.534 50 0 HJAARN Cc1ccc2c(Cl)c(C(=O)NC[C@H](c3ccccc3)N3CCOCC3)sc2c1 ZINC000028290142 558696450 /nfs/dbraw/zinc/69/64/50/558696450.db2.gz RRMRJVANZCFWDW-GOSISDBHSA-N 0 0 414.958 4.666 50 0 HJAARN CCCCN(C)C(=O)c1cnn(-c2nccc(-c3cc(C)sc3C)n2)c1C1CC1 ZINC000014997948 558696538 /nfs/dbraw/zinc/69/65/38/558696538.db2.gz IBGUWCMOGGISGR-UHFFFAOYSA-N 0 0 409.559 4.757 50 0 HJAARN Cc1ccc2c(=O)cc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCCCC3)oc2c1 ZINC000028291664 558697500 /nfs/dbraw/zinc/69/75/00/558697500.db2.gz WZYFYZJJHONXHQ-HXUWFJFHSA-N 0 0 424.928 4.712 50 0 HJAARN Cc1c2cc(C)ccc2oc1C(=O)NC[C@@H](c1ccc(C(C)C)cc1)N1CCOCC1 ZINC000028291651 558697539 /nfs/dbraw/zinc/69/75/39/558697539.db2.gz ZWBSJFWEGXCOCS-QHCPKHFHSA-N 0 0 420.553 4.976 50 0 HJAARN COc1ccc(Cn2nccc2NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000028293641 558698493 /nfs/dbraw/zinc/69/84/93/558698493.db2.gz BQEPVVYFDNIURP-INIZCTEOSA-N 0 0 413.905 4.616 50 0 HJAARN COc1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c(OC)c1 ZINC000015008472 558699496 /nfs/dbraw/zinc/69/94/96/558699496.db2.gz FLEMKGMKKPHZGG-CAOOACKPSA-N 0 0 407.850 4.733 50 0 HJAARN CCOc1ccccc1C=C1SC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O ZINC000015010675 558700169 /nfs/dbraw/zinc/70/01/69/558700169.db2.gz JHXDGLDSHZVWMD-WQRHYEAKSA-N 0 0 401.871 4.658 50 0 HJAARN CC[C@@H](NC(=O)Nc1ccc(F)cc1)c1noc(-c2cccc(Br)c2)n1 ZINC000072275178 558701375 /nfs/dbraw/zinc/70/13/75/558701375.db2.gz BSJFVRXIWOXZLO-OAHLLOKOSA-N 0 0 419.254 4.911 50 0 HJAARN Cc1ccc2nc(-c3ccc(NC(=O)CN(C)C(=O)c4ccco4)cc3)sc2c1 ZINC000028490387 558701711 /nfs/dbraw/zinc/70/17/11/558701711.db2.gz VPDAEITYNZGELW-UHFFFAOYSA-N 0 0 405.479 4.575 50 0 HJAARN Cc1cc2nc(C)c(CCC(=O)Nc3cccc(C4SCCS4)c3)c(C)n2n1 ZINC000028689733 558703744 /nfs/dbraw/zinc/70/37/44/558703744.db2.gz ZIMKFBQDXGQCGG-UHFFFAOYSA-N 0 0 412.584 4.704 50 0 HJAARN O=C(NCC1(O)CCCCC1)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12 ZINC000015062086 558705039 /nfs/dbraw/zinc/70/50/39/558705039.db2.gz JIRQPYJVSPCAGI-UHFFFAOYSA-N 0 0 423.460 4.507 50 0 HJAARN CCOC(=O)[C@]1(Cc2ccccc2)CCCN(C(=O)Nc2ccc(SC)cc2)C1 ZINC000015062444 558705350 /nfs/dbraw/zinc/70/53/50/558705350.db2.gz YUMIFJLHKBMFGH-QHCPKHFHSA-N 0 0 412.555 4.828 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)C2=CCCCC2)C1 ZINC000015063337 558705968 /nfs/dbraw/zinc/70/59/68/558705968.db2.gz YIKKEJWPHFJJSP-MRXNPFEDSA-N 0 0 404.938 4.806 50 0 HJAARN Cc1nc(-c2ccccc2)[nH]c(=O)c1CCC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000028959305 558707934 /nfs/dbraw/zinc/70/79/34/558707934.db2.gz WZZAFQUDMHFJBC-KRWDZBQOSA-N 0 0 411.505 4.709 50 0 HJAARN CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000015066838 558709671 /nfs/dbraw/zinc/70/96/71/558709671.db2.gz ZRJQTCMNUMSSOE-JOCHJYFZSA-N 0 0 411.509 4.502 50 0 HJAARN COc1ccc([C@H]2CCCN2C(=O)Cc2nc(-c3ccccc3)oc2C)cc1OC ZINC000029193908 558711595 /nfs/dbraw/zinc/71/15/95/558711595.db2.gz DDTRIXPMWHLXQI-HXUWFJFHSA-N 0 0 406.482 4.573 50 0 HJAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N(C)Cc3nc4ccccc4[nH]3)cc12 ZINC000029330024 558713581 /nfs/dbraw/zinc/71/35/81/558713581.db2.gz SQTFNLRKJBOOND-UHFFFAOYSA-N 0 0 419.485 4.683 50 0 HJAARN O=C(c1cccc(OC2CCN(Cc3ccc(F)cc3Cl)CC2)c1)N1CCCC1 ZINC000015073591 558714561 /nfs/dbraw/zinc/71/45/61/558714561.db2.gz PPWARJSLEGLJTR-UHFFFAOYSA-N 0 0 416.924 4.759 50 0 HJAARN O=C1N(Cc2ccc(Cl)cc2)c2ccccc2[C@]1(O)[C@@H]1CCc2ccccc2C1=O ZINC000015081779 558719160 /nfs/dbraw/zinc/71/91/60/558719160.db2.gz KGRYFFCIRSPHFM-BWKNWUBXSA-N 0 0 417.892 4.520 50 0 HJAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)CS[C@H]4c3ccccc3)sc2c1 ZINC000015084869 558720205 /nfs/dbraw/zinc/72/02/05/558720205.db2.gz YHUBHIDBPRCPAX-IBGZPJMESA-N 0 0 422.535 4.574 50 0 HJAARN Cc1ccc(CN2c3ccccc3[C@@](O)(CC(=O)c3cc(C)c(C)cc3C)C2=O)cc1 ZINC000004555172 558720560 /nfs/dbraw/zinc/72/05/60/558720560.db2.gz TWMSGINTKKFKMH-MHZLTWQESA-N 0 0 413.517 4.928 50 0 HJAARN C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000029797532 558721281 /nfs/dbraw/zinc/72/12/81/558721281.db2.gz JICBWQAJHYDXPG-KXBFYZLASA-N 0 0 401.890 4.632 50 0 HJAARN Cc1cccc(NC(=O)c2c3c(sc2NC(=O)CN2CCCCCC2)CCC3)c1 ZINC000004554483 558722188 /nfs/dbraw/zinc/72/21/88/558722188.db2.gz VREGBMGZNYXOBI-UHFFFAOYSA-N 0 0 411.571 4.612 50 0 HJAARN CC(C)c1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3cccc(F)c3)C2=O)cc1 ZINC000004555376 558724426 /nfs/dbraw/zinc/72/44/26/558724426.db2.gz CHDFRFJFQCCGKU-AREMUKBSSA-N 0 0 417.480 4.957 50 0 HJAARN Cc1ccc(Oc2ccccc2NC(=O)C[C@H](NC(N)=O)c2ccccc2C)cc1 ZINC000029978901 558725133 /nfs/dbraw/zinc/72/51/33/558725133.db2.gz QYZWNUCNQXXBLC-NRFANRHFSA-N 0 0 403.482 4.834 50 0 HJAARN O=C(Nc1ccc(N2CCCC2)nc1)c1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000029997485 558725658 /nfs/dbraw/zinc/72/56/58/558725658.db2.gz QEJKVPHPAFASSW-UHFFFAOYSA-N 0 0 423.520 4.846 50 0 HJAARN Cc1ccccc1C(=O)N[C@H](C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1)C(C)C ZINC000030117236 558727181 /nfs/dbraw/zinc/72/71/81/558727181.db2.gz RJGZZCRQBHNQOL-BEFAXECRSA-N 0 0 406.448 4.646 50 0 HJAARN O=C(NCc1ccc(N2CCCC2)nc1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000030297472 558728407 /nfs/dbraw/zinc/72/84/07/558728407.db2.gz BYSGGJSCAQHGBD-UHFFFAOYSA-N 0 0 424.504 4.934 50 0 HJAARN O=c1/c(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)sc2nc3ccccc3n12 ZINC000015229340 558728952 /nfs/dbraw/zinc/72/89/52/558728952.db2.gz AMXCUCYYHNVJHK-WOJGMQOQSA-N 0 0 412.392 4.736 50 0 HJAARN CC(C)c1ccccc1OC[C@@H](O)COc1cccc(C(=O)NCc2ccccc2)c1 ZINC000030597184 558733754 /nfs/dbraw/zinc/73/37/54/558733754.db2.gz QJJZLBLPKRIWHW-QFIPXVFZSA-N 0 0 419.521 4.559 50 0 HJAARN Cc1ccc(-c2nc(C(=O)N[C@@H](c3nccn3C)c3ccccc3F)cs2)cc1 ZINC000015497786 558741563 /nfs/dbraw/zinc/74/15/63/558741563.db2.gz FGCKNAVNBGWXEQ-LJQANCHMSA-N 0 0 406.486 4.511 50 0 HJAARN CC[C@](C)(C(=O)NC1CCCCC1)N(C(=O)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000004571480 558745790 /nfs/dbraw/zinc/74/57/90/558745790.db2.gz RYPYDOABZAXGSG-RUZDIDTESA-N 0 0 422.525 4.680 50 0 HJAARN CC(C)OP(=O)(OC(C)C)[C@@H](Cc1ccccc1)NC(=O)Cc1ccccc1 ZINC000003078146 558747446 /nfs/dbraw/zinc/74/74/46/558747446.db2.gz DDVZEUOZAMWQKR-QFIPXVFZSA-N 0 0 403.459 4.957 50 0 HJAARN N=C1NC(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2Cl)S1 ZINC000015800540 558753965 /nfs/dbraw/zinc/75/39/65/558753965.db2.gz JZMRQOGFPDUFAU-NVNXTCNLSA-N 0 0 423.719 4.820 50 0 HJAARN COc1ccc([C@H](c2c[nH]c3ccccc32)N(C)C(=O)COc2ccccc2)cc1 ZINC000015835475 558755733 /nfs/dbraw/zinc/75/57/33/558755733.db2.gz CANIJABCNRJCFR-RUZDIDTESA-N 0 0 400.478 4.803 50 0 HJAARN CCOC(=O)c1cccc(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)c1 ZINC000015838634 558756220 /nfs/dbraw/zinc/75/62/20/558756220.db2.gz MNSASEHVRTXALQ-UHFFFAOYSA-N 0 0 414.255 4.554 50 0 HJAARN O=C(c1cc2ccccc2[nH]1)N1CCC[C@H]1c1ccc(I)cc1 ZINC000072303779 558756489 /nfs/dbraw/zinc/75/64/89/558756489.db2.gz HYZHAULMGICIEH-SFHVURJKSA-N 0 0 416.262 4.750 50 0 HJAARN CCCCSc1nnc2c(n1)O[C@@H](c1ccco1)N(C(=O)CC)c1ccccc1-2 ZINC000032997105 558758424 /nfs/dbraw/zinc/75/84/24/558758424.db2.gz VHEKCCJDZKKLHH-FQEVSTJZSA-N 0 0 410.499 4.858 50 0 HJAARN CCSc1nnc2c(n1)O[C@H](c1ccc(C)cc1)N(C(C)=O)c1ccc(C)cc1-2 ZINC000032997498 558758815 /nfs/dbraw/zinc/75/88/15/558758815.db2.gz TYRKVHIKAXAAMM-OAQYLSRUSA-N 0 0 406.511 4.712 50 0 HJAARN CCc1ccc(NC(=O)c2ccc(-n3nnnc3SCc3ccccc3)cc2)cc1 ZINC000015869211 558759902 /nfs/dbraw/zinc/75/99/02/558759902.db2.gz XTPLZVXCKCLDIV-UHFFFAOYSA-N 0 0 415.522 4.769 50 0 HJAARN Cc1ccccc1NC(=O)c1ccc(-n2nnnc2SCc2ccccc2)cc1 ZINC000015869233 558759986 /nfs/dbraw/zinc/75/99/86/558759986.db2.gz PRLJUWFORJAGJL-UHFFFAOYSA-N 0 0 401.495 4.515 50 0 HJAARN CCCCCNC(=O)[C@@H]1CCCN(c2nccn3nc(-c4ccc(C)cc4C)cc23)C1 ZINC000033266481 558763164 /nfs/dbraw/zinc/76/31/64/558763164.db2.gz FJXKXWKLYOAGDT-HXUWFJFHSA-N 0 0 419.573 4.536 50 0 HJAARN Cc1ccccc1NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000015945942 558763390 /nfs/dbraw/zinc/76/33/90/558763390.db2.gz FZYHOHKVGDIVSB-SFHVURJKSA-N 0 0 424.522 4.581 50 0 HJAARN CN1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2cccs2)[C@@]12C(=O)Nc1ccccc12 ZINC000015971817 558764546 /nfs/dbraw/zinc/76/45/46/558764546.db2.gz OTUKDDLHXSNQFC-CGYQNGNCSA-N 0 0 422.937 4.777 50 0 HJAARN C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccccc1OCc1ccccc1Cl ZINC000015978810 558765166 /nfs/dbraw/zinc/76/51/66/558765166.db2.gz KGVKPCFQSOCSQR-CALCHBBNSA-N 0 0 415.917 4.865 50 0 HJAARN CSCC[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(F)cc2)o1 ZINC000016000280 558765960 /nfs/dbraw/zinc/76/59/60/558765960.db2.gz IUPDJZIXYDOLRL-CQSZACIVSA-N 0 0 413.540 4.820 50 0 HJAARN Cc1cc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(C)o1 ZINC000016106974 558772169 /nfs/dbraw/zinc/77/21/69/558772169.db2.gz CCKWYBKVDIGKOZ-UHFFFAOYSA-N 0 0 410.464 4.722 50 0 HJAARN COc1ccc(CNC(=O)c2sc(Nc3ccc(C)cc3C)nc2C)c(OC)c1 ZINC000071326609 558773730 /nfs/dbraw/zinc/77/37/30/558773730.db2.gz FCNCTWFUUXRTNW-UHFFFAOYSA-N 0 0 411.527 4.759 50 0 HJAARN O=C(NCc1ccc(F)cc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000000865745 558774565 /nfs/dbraw/zinc/77/45/65/558774565.db2.gz KDVRMXOVKQZPNR-BBRMVZONSA-N 0 0 424.423 4.674 50 0 HJAARN O=C(CSc1nnc2ccccn21)Nc1ccc(-c2nc3ccccc3s2)cc1 ZINC000001098236 558775090 /nfs/dbraw/zinc/77/50/90/558775090.db2.gz NHJVBQNOJBBMPE-UHFFFAOYSA-N 0 0 417.519 4.737 50 0 HJAARN Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(Cl)cc3)c3ccccn32)cc1 ZINC000004585238 558775559 /nfs/dbraw/zinc/77/55/59/558775559.db2.gz ZMPFZOZVQBGKQQ-UHFFFAOYSA-N 0 0 403.869 4.967 50 0 HJAARN CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1c(Cl)cccc1Cl ZINC000016192420 558777185 /nfs/dbraw/zinc/77/71/85/558777185.db2.gz DRNFPOANEUNMKE-GOSISDBHSA-N 0 0 420.296 4.659 50 0 HJAARN CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000072310082 558779531 /nfs/dbraw/zinc/77/95/31/558779531.db2.gz MOFJZTDLYVVGFH-UHFFFAOYSA-N 0 0 402.907 4.739 50 0 HJAARN C[C@H](NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1)c1ccccc1 ZINC000003100298 558780120 /nfs/dbraw/zinc/78/01/20/558780120.db2.gz BFSQWIMPEHAODQ-SFHVURJKSA-N 0 0 410.477 4.616 50 0 HJAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCCCCC4)cc3n2)cc1 ZINC000002987130 558780140 /nfs/dbraw/zinc/78/01/40/558780140.db2.gz RBKZZQUDJXSXIN-UHFFFAOYSA-N 0 0 402.420 4.740 50 0 HJAARN COc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1Cc1ccccc1 ZINC000016274508 558783141 /nfs/dbraw/zinc/78/31/41/558783141.db2.gz HFWCVZAOSQPSAO-UHFFFAOYSA-N 0 0 414.505 4.661 50 0 HJAARN O=C(NCc1ccccc1)Nc1ccc(N2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000034737037 558783401 /nfs/dbraw/zinc/78/34/01/558783401.db2.gz CVVCJMJZLNRNEM-UHFFFAOYSA-N 0 0 414.509 4.841 50 0 HJAARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)CCCc1ccccc1 ZINC000004585469 558784346 /nfs/dbraw/zinc/78/43/46/558784346.db2.gz WMWDQKHCAPBKNX-UHFFFAOYSA-N 0 0 411.505 4.964 50 0 HJAARN O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccc(Br)cc1 ZINC000004589161 558788837 /nfs/dbraw/zinc/78/88/37/558788837.db2.gz MZPQHOJDAMHGIN-ZSOIEALJSA-N 0 0 407.061 4.556 50 0 HJAARN Cc1ccccc1-c1cc(C(=O)NCCCn2ccnc2)c2cc(Cl)ccc2n1 ZINC000016392201 558789545 /nfs/dbraw/zinc/78/95/45/558789545.db2.gz JYRHOMLQXWVHPG-UHFFFAOYSA-N 0 0 404.901 4.880 50 0 HJAARN CCOc1nc(-c2cccc(F)c2)n(-c2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 ZINC000035393672 558790546 /nfs/dbraw/zinc/79/05/46/558790546.db2.gz KENYQSZILYPHJI-UHFFFAOYSA-N 0 0 420.419 4.864 50 0 HJAARN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(Cl)cc1C(F)(F)F ZINC000016448640 558792008 /nfs/dbraw/zinc/79/20/08/558792008.db2.gz LRYNRJJJHVIHEJ-UHFFFAOYSA-N 0 0 418.824 4.503 50 0 HJAARN CCc1ccc(NC(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)cc1 ZINC000035506141 558793085 /nfs/dbraw/zinc/79/30/85/558793085.db2.gz XNWIKGODXJZHGU-UHFFFAOYSA-N 0 0 416.481 4.876 50 0 HJAARN CCOC(=O)C1CCC(CNC(=O)N2CCCCC[C@@H]2c2ccc(C)cc2)CC1 ZINC000035561799 558793652 /nfs/dbraw/zinc/79/36/52/558793652.db2.gz SAUXUQCNSWXSIO-KITAHSCOSA-N 0 0 400.563 4.991 50 0 HJAARN COc1ccc(-c2cc(CN(Cc3ccc(F)cc3)C(=O)C(C)C)no2)cc1OC ZINC000036019175 558796814 /nfs/dbraw/zinc/79/68/14/558796814.db2.gz CRTWXSZWBBRYJG-UHFFFAOYSA-N 0 0 412.461 4.683 50 0 HJAARN CC[C@H](C)NC(=O)c1coc(CN(Cc2sccc2C)Cc2ccc(F)cc2)n1 ZINC000036072353 558797476 /nfs/dbraw/zinc/79/74/76/558797476.db2.gz PIDXHVYAZBKYEP-INIZCTEOSA-N 0 0 415.534 4.914 50 0 HJAARN CCOc1ccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CCCCC2)cc1 ZINC000036344146 558799149 /nfs/dbraw/zinc/79/91/49/558799149.db2.gz PYBDPORBKQZPMM-VWLOTQADSA-N 0 0 419.569 4.866 50 0 HJAARN O=C(CN[C@H](c1ccccc1)c1ccc(Cl)cc1)NC(=O)Nc1ccccc1F ZINC000016684985 558799803 /nfs/dbraw/zinc/79/98/03/558799803.db2.gz WJKSZIOPBVLXBE-OAQYLSRUSA-N 0 0 411.864 4.506 50 0 HJAARN O=C(CCC(=O)c1ccccc1)NCCC(=O)OCc1ccc(-c2ccccc2)cc1 ZINC000016695666 558801173 /nfs/dbraw/zinc/80/11/73/558801173.db2.gz OJEBUIMBVIHJSV-UHFFFAOYSA-N 0 0 415.489 4.566 50 0 HJAARN Cc1cccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccc(Cl)cc2)O3)c1 ZINC000032983522 558804620 /nfs/dbraw/zinc/80/46/20/558804620.db2.gz KWKKCFVOSNJESB-WSDLNYQXSA-N 0 0 418.880 4.950 50 0 HJAARN COc1ccccc1/C=C1\Oc2ccc(C(=O)NCCC3=CCCCC3)cc2NC1=O ZINC000032983710 558804773 /nfs/dbraw/zinc/80/47/73/558804773.db2.gz NMYBKLYOFAXKMN-KQWNVCNZSA-N 0 0 418.493 4.688 50 0 HJAARN O=C(CSC(F)(F)F)Nc1c(-c2ccc(F)cc2)ncn1Cc1ccccc1 ZINC000060279208 558806531 /nfs/dbraw/zinc/80/65/31/558806531.db2.gz NSTFVRGJZWPRKF-UHFFFAOYSA-N 0 0 409.408 4.929 50 0 HJAARN C[C@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1ccc(F)c(F)c1 ZINC000016912660 558809194 /nfs/dbraw/zinc/80/91/94/558809194.db2.gz NMMYOCNMOSRGPE-INIZCTEOSA-N 0 0 422.475 4.848 50 0 HJAARN CCc1c(C)nc2ncnn2c1Sc1ccccc1NC(=O)c1ccc(F)cc1 ZINC000032995767 558810034 /nfs/dbraw/zinc/81/00/34/558810034.db2.gz BDSCQOJSQCXVLV-UHFFFAOYSA-N 0 0 407.474 4.538 50 0 HJAARN Cc1nc2[nH]c(NCc3c(Cl)cccc3Cl)nn2c(=O)c1Cc1ccccc1 ZINC000016956938 558810254 /nfs/dbraw/zinc/81/02/54/558810254.db2.gz RFSHHPILLCFAPT-UHFFFAOYSA-N 0 0 414.296 4.648 50 0 HJAARN CCc1ccc(NC(=O)Cn2cnc3c(-c4ccc(C)cc4)csc3c2=O)cc1 ZINC000038651722 558813288 /nfs/dbraw/zinc/81/32/88/558813288.db2.gz JNOGAMNLVWAEKY-UHFFFAOYSA-N 0 0 403.507 4.635 50 0 HJAARN COc1cccc(NC(=O)Nc2nnc(CSCc3ccc(F)cc3)s2)c1 ZINC000017056638 558813424 /nfs/dbraw/zinc/81/34/24/558813424.db2.gz ATQBWRPBPWIMMG-UHFFFAOYSA-N 0 0 404.492 4.763 50 0 HJAARN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@@]21S[C@H](C)C(=O)N1c1ccccc1 ZINC000017082955 558815354 /nfs/dbraw/zinc/81/53/54/558815354.db2.gz OSFXYNKICFYGKY-GYCJOSAFSA-N 0 0 404.535 4.858 50 0 HJAARN COc1ccc(Cl)cc1-c1nc(-c2ccc(NC(=O)c3cccnc3)cc2)no1 ZINC000017087515 558816459 /nfs/dbraw/zinc/81/64/59/558816459.db2.gz ORMWRBKLZCPOJM-UHFFFAOYSA-N 0 0 406.829 4.713 50 0 HJAARN CCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000017088091 558817040 /nfs/dbraw/zinc/81/70/40/558817040.db2.gz CALZJSJQYXFHJH-UHFFFAOYSA-N 0 0 408.571 4.937 50 0 HJAARN CCc1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)cc1 ZINC000017091202 558819745 /nfs/dbraw/zinc/81/97/45/558819745.db2.gz SFHAIISXLZFLSP-INIZCTEOSA-N 0 0 417.600 4.621 50 0 HJAARN CCOC(=O)C1CCN(C(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000017170203 558824639 /nfs/dbraw/zinc/82/46/39/558824639.db2.gz SQPLNXUOGFJQFR-UHFFFAOYSA-N 0 0 417.590 4.722 50 0 HJAARN Cc1nn(-c2nc(CC(=O)Nc3ccccc3C(F)(F)F)cs2)c(C)c1Cl ZINC000033004481 558827060 /nfs/dbraw/zinc/82/70/60/558827060.db2.gz OYBYHKGACHRJIZ-UHFFFAOYSA-N 0 0 414.840 4.799 50 0 HJAARN O=C(Nc1ccccc1C(F)(F)F)c1ccccc1N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000017987741 558829212 /nfs/dbraw/zinc/82/92/12/558829212.db2.gz KHQSPRMCVPPRPQ-KBPBESRZSA-N 0 0 416.399 4.637 50 0 HJAARN CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1 ZINC000071934814 558830550 /nfs/dbraw/zinc/83/05/50/558830550.db2.gz WJEDPFSNGRUMAW-QFIPXVFZSA-N 0 0 411.590 4.575 50 0 HJAARN Cc1ccc(S(=O)(=O)c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc1 ZINC000018284066 558835336 /nfs/dbraw/zinc/83/53/36/558835336.db2.gz PLVVWZIVYMLETI-UHFFFAOYSA-N 0 0 409.894 4.990 50 0 HJAARN CCCCCc1c(C)nn(-c2nc(CC(=O)Nc3ccc(OC)cc3)cs2)c1C ZINC000033019366 558835898 /nfs/dbraw/zinc/83/58/98/558835898.db2.gz YNVAAGDTIZQBQM-UHFFFAOYSA-N 0 0 412.559 4.868 50 0 HJAARN COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001010190 558836141 /nfs/dbraw/zinc/83/61/41/558836141.db2.gz HIUVDYFSTPOZTM-FQEVSTJZSA-N 0 0 403.478 4.505 50 0 HJAARN COc1ccc(C(=O)Nc2ccccc2CCc2nc3ccccc3[nH]2)c(OC)c1 ZINC000033019871 558836364 /nfs/dbraw/zinc/83/63/64/558836364.db2.gz GCBAWEKSIGHSAD-UHFFFAOYSA-N 0 0 401.466 4.618 50 0 HJAARN NC(=O)Nc1ccc(-c2csc(C3(NC(=O)c4ccccc4)CCCC3)n2)cc1 ZINC000072312479 558837789 /nfs/dbraw/zinc/83/77/89/558837789.db2.gz UAEDTOGTNXCKPI-UHFFFAOYSA-N 0 0 406.511 4.500 50 0 HJAARN COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)N1CCCCCC1 ZINC000046006400 558838742 /nfs/dbraw/zinc/83/87/42/558838742.db2.gz SPDXWUQETNANFP-UHFFFAOYSA-N 0 0 420.557 4.690 50 0 HJAARN CCOc1nc2c(c(C)nn2-c2cccc(C)c2)c(C)c1CCC(=O)NC1CCCC1 ZINC000046006090 558838749 /nfs/dbraw/zinc/83/87/49/558838749.db2.gz MMRZBLKGWJGMOI-UHFFFAOYSA-N 0 0 420.557 4.736 50 0 HJAARN CC(C)(C)CN(C[C@H](O)c1ccccc1)C(=O)Nc1ccc(Cn2cccn2)cc1 ZINC000072313623 558840782 /nfs/dbraw/zinc/84/07/82/558840782.db2.gz JJJMAIZAIARPPE-QFIPXVFZSA-N 0 0 406.530 4.545 50 0 HJAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3OC(F)(F)F)o2)cc1 ZINC000048513647 558845611 /nfs/dbraw/zinc/84/56/11/558845611.db2.gz DHMQOXAQYZLLGH-UHFFFAOYSA-N 0 0 409.389 4.674 50 0 HJAARN CCOc1ccc(NC(=O)NCCc2nc3cccnc3n2C2CCCCC2)cc1 ZINC000033025466 558846129 /nfs/dbraw/zinc/84/61/29/558846129.db2.gz ZSOAPHBZADBLOU-UHFFFAOYSA-N 0 0 407.518 4.699 50 0 HJAARN CC(C)(C)C(=O)Nc1ccccc1SCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000033025864 558846602 /nfs/dbraw/zinc/84/66/02/558846602.db2.gz SYPOQRHWJYOAIB-UHFFFAOYSA-N 0 0 401.919 4.625 50 0 HJAARN Cc1cccn2c(=O)cc(CSc3ccccc3NC(=O)c3ccccc3F)nc12 ZINC000033026046 558846937 /nfs/dbraw/zinc/84/69/37/558846937.db2.gz DDJSSGJVRFLCQY-UHFFFAOYSA-N 0 0 419.481 4.687 50 0 HJAARN Cc1ccc(NC(=O)Cc2csc(SCC(=O)c3cccs3)n2)cc1F ZINC000013654103 558851040 /nfs/dbraw/zinc/85/10/40/558851040.db2.gz BXUDPUKFGAXPDJ-UHFFFAOYSA-N 0 0 406.529 4.808 50 0 HJAARN COc1ccc2c(c1)oc(C)c(Oc1ccc(C(=O)Nc3nccs3)cc1)c2=O ZINC000013721688 558859059 /nfs/dbraw/zinc/85/90/59/558859059.db2.gz KOMDYNMMFGRODF-UHFFFAOYSA-N 0 0 408.435 4.611 50 0 HJAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(Cc3ccc(F)cc3)CO2)cc1 ZINC000053184365 558862782 /nfs/dbraw/zinc/86/27/82/558862782.db2.gz PXYOGWFHUSGTGE-UHFFFAOYSA-N 0 0 417.436 4.960 50 0 biogenic HJAARN O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccccc1OC[C@@H]1CCCO1 ZINC000022192265 558864500 /nfs/dbraw/zinc/86/45/00/558864500.db2.gz FDNVFNSRBAVUMI-KRWDZBQOSA-N 0 0 422.506 4.555 50 0 HJAARN CC(C)Oc1ccc(CNC(=O)c2c[nH]nc2-c2cccc(Br)c2)cc1 ZINC000072329095 558864636 /nfs/dbraw/zinc/86/46/36/558864636.db2.gz PQQIVWYTDDWPQK-UHFFFAOYSA-N 0 0 414.303 4.556 50 0 HJAARN Cc1cc(SCC(=O)NC2CCCCCC2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000033070532 558866065 /nfs/dbraw/zinc/86/60/65/558866065.db2.gz BUHSJDMWASMRLV-UHFFFAOYSA-N 0 0 412.534 4.775 50 0 HJAARN O=C(CCCc1c[nH]c2ccccc12)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000011145049 558866205 /nfs/dbraw/zinc/86/62/05/558866205.db2.gz HVWBYXMZZWIRNA-UHFFFAOYSA-N 0 0 401.466 4.652 50 0 HJAARN C[C@@H]1CCc2sc3ncnc(N4CCN(Cc5ccc(Cl)cc5)CC4)c3c2C1 ZINC000054360504 558867658 /nfs/dbraw/zinc/86/76/58/558867658.db2.gz RHKBPTWTEQWDCS-OAHLLOKOSA-N 0 0 412.990 4.792 50 0 HJAARN COc1cc(Cl)ccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000072331352 558867982 /nfs/dbraw/zinc/86/79/82/558867982.db2.gz ZKXJGPIMRXPBNH-UHFFFAOYSA-N 0 0 420.940 4.896 50 0 HJAARN CC(=O)N[C@H](CC(=O)Nc1nc(-c2ccc(F)c(F)c2)c(C)s1)c1cccs1 ZINC000011148984 558868436 /nfs/dbraw/zinc/86/84/36/558868436.db2.gz GARQOBSDXFUXFU-OAHLLOKOSA-N 0 0 421.494 4.664 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)c1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000033088444 558870264 /nfs/dbraw/zinc/87/02/64/558870264.db2.gz HKQOBWKWNZVHDE-UHFFFAOYSA-N 0 0 421.766 4.617 50 0 HJAARN COc1ccc(-c2nc(CN3CCOc4ccc(Cl)cc4C3)c(C)o2)c(F)c1 ZINC000055052915 558870609 /nfs/dbraw/zinc/87/06/09/558870609.db2.gz KGUKRWXIJZJPHY-UHFFFAOYSA-N 0 0 402.853 4.846 50 0 HJAARN C[C@@H]1Cc2cc(Br)cc3c2n1cc(C(=O)NC1CCCCCCC1)c3=O ZINC000033089246 558871390 /nfs/dbraw/zinc/87/13/90/558871390.db2.gz QEFRIXKXUDBMKK-CYBMUJFWSA-N 0 0 417.347 4.724 50 0 HJAARN O=C(Nc1ccccc1Cl)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000033088561 558871664 /nfs/dbraw/zinc/87/16/64/558871664.db2.gz NLCDRDFBIZHLPC-UHFFFAOYSA-N 0 0 423.807 4.777 50 0 HJAARN CCC(=O)Nc1ccc(-c2cc(C(=O)NCc3cccnc3)c3ccccc3n2)cc1 ZINC000033106232 558873742 /nfs/dbraw/zinc/87/37/42/558873742.db2.gz ADLYCOOHJDKZTI-UHFFFAOYSA-N 0 0 410.477 4.575 50 0 HJAARN COc1ccc(NC(=O)c2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1Cl ZINC000033106152 558873881 /nfs/dbraw/zinc/87/38/81/558873881.db2.gz DRLNQAHOAVCJND-UHFFFAOYSA-N 0 0 408.889 4.658 50 0 HJAARN CCOc1ccccc1N1CCN(Cc2nc(-c3cccc(F)c3F)oc2C)CC1 ZINC000055153704 558874488 /nfs/dbraw/zinc/87/44/88/558874488.db2.gz NDZGWJRVDWZHPQ-UHFFFAOYSA-N 0 0 413.468 4.649 50 0 HJAARN O=C(OCCCOc1ccc(F)cc1)c1nccnc1-c1nc2ccccc2s1 ZINC000019352985 558875560 /nfs/dbraw/zinc/87/55/60/558875560.db2.gz NQYQVPSOBONDDS-UHFFFAOYSA-N 0 0 409.442 4.518 50 0 HJAARN CCCCCNc1nc2ccccc2nc1S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000033114422 558876306 /nfs/dbraw/zinc/87/63/06/558876306.db2.gz FJZRIRNVOBMFIA-UHFFFAOYSA-N 0 0 403.935 4.859 50 0 HJAARN CSc1ncc(CN2CCC[C@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)cn1 ZINC000055270030 558877881 /nfs/dbraw/zinc/87/78/81/558877881.db2.gz FIBBVOAULJLUCJ-IBGZPJMESA-N 0 0 403.551 4.545 50 0 HJAARN CCCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)c2cccs2)cc1 ZINC000033122035 558879032 /nfs/dbraw/zinc/87/90/32/558879032.db2.gz OKRFEEXSSXXHHX-UHFFFAOYSA-N 0 0 409.540 4.850 50 0 HJAARN Cc1ccc(NC(=O)N[C@@H](C(=O)N2CCc3ccccc32)c2ccccc2)cc1F ZINC000033127879 558881225 /nfs/dbraw/zinc/88/12/25/558881225.db2.gz MPUZVZFUTGREBQ-JOCHJYFZSA-N 0 0 403.457 4.586 50 0 HJAARN Cc1ccc(CN(C(=S)NCC(=O)N[C@@H]2CCCC[C@H]2C)C2CCCCC2)cc1 ZINC000004672750 558884738 /nfs/dbraw/zinc/88/47/38/558884738.db2.gz WIWJFMOCGUPIBP-DENIHFKCSA-N 0 0 415.647 4.699 50 0 HJAARN CCOc1ccc(N2C(=O)c3n[nH]c(-c4ccc(C)cc4)c3[C@H]2c2ccccn2)cc1 ZINC000004623280 558885766 /nfs/dbraw/zinc/88/57/66/558885766.db2.gz PFQJQXFBDWUIMO-XMMPIXPASA-N 0 0 410.477 4.929 50 0 HJAARN Cc1ccc([C@@H]2C(=O)N([C@@H]3CCC[C@H](C)[C@@H]3C)CC(=O)N2CCc2ccccc2)cc1 ZINC000004672393 558886242 /nfs/dbraw/zinc/88/62/42/558886242.db2.gz CVLQDPKUGCICKI-VKZLBCMESA-N 0 0 418.581 4.774 50 0 HJAARN COc1cccc(CNC(=O)c2ccc(-c3nccc(Oc4ccccc4)n3)cc2)c1 ZINC000033130459 558886765 /nfs/dbraw/zinc/88/67/65/558886765.db2.gz XZBALAGBEUQLEZ-UHFFFAOYSA-N 0 0 411.461 4.875 50 0 biogenic HJAARN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000072010949 558887733 /nfs/dbraw/zinc/88/77/33/558887733.db2.gz IDBAXQTVRPTRAX-SNVBAGLBSA-N 0 0 415.704 4.755 50 0 HJAARN COc1ccccc1-c1cc2c(SCC(=O)Nc3ccc(C)c(C)c3)nccn2n1 ZINC000057511137 558888994 /nfs/dbraw/zinc/88/89/94/558888994.db2.gz SROAGNZSURVEMK-UHFFFAOYSA-N 0 0 418.522 4.753 50 0 HJAARN O=C1Nc2c(cccc2C(F)(F)F)[C@]12Nc1ccccc1-c1nc3ccccc3n12 ZINC000004625914 558890023 /nfs/dbraw/zinc/89/00/23/558890023.db2.gz LBGJYVCNBVTCJE-OAQYLSRUSA-N 0 0 406.367 4.801 50 0 HJAARN Cc1ccc(-c2nn(CN(C)Cc3csc(Br)c3)c(=S)[nH]2)cc1 ZINC000057995703 558893565 /nfs/dbraw/zinc/89/35/65/558893565.db2.gz FSUAWIKMTMMCJE-UHFFFAOYSA-N 0 0 409.378 4.830 50 0 HJAARN Cc1nc2cc(F)ccc2cc1C(=O)NCc1ccc(N(C)c2ccccc2)nc1 ZINC000058014253 558895303 /nfs/dbraw/zinc/89/53/03/558895303.db2.gz QPBAFOQIIWEPKZ-UHFFFAOYSA-N 0 0 400.457 4.775 50 0 HJAARN O=C(Nc1n[nH]c2cccc(F)c21)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000058026423 558896262 /nfs/dbraw/zinc/89/62/62/558896262.db2.gz RFPAASNLXDSMCB-UHFFFAOYSA-N 0 0 423.757 4.812 50 0 HJAARN Cc1cccc(Sc2nccnc2N2CCC[C@@H](C(=O)Nc3ccc(F)cc3)C2)c1 ZINC000033168886 558898603 /nfs/dbraw/zinc/89/86/03/558898603.db2.gz ZYMNALICYHWALO-QGZVFWFLSA-N 0 0 422.529 4.930 50 0 HJAARN Cc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NC[C@@H](C)c1ccccc1 ZINC000033173447 558901668 /nfs/dbraw/zinc/90/16/68/558901668.db2.gz QNUFXWNJNMCOAS-CQSZACIVSA-N 0 0 424.444 4.751 50 0 HJAARN Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)Nc1ccc(F)cc1C ZINC000033173876 558902014 /nfs/dbraw/zinc/90/20/14/558902014.db2.gz KDZDVTCHOZWECU-UHFFFAOYSA-N 0 0 419.425 4.714 50 0 HJAARN Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)Nc1ccc(C)c(C)c1 ZINC000033173839 558902173 /nfs/dbraw/zinc/90/21/73/558902173.db2.gz MJHJJZCTTLVKBW-UHFFFAOYSA-N 0 0 415.462 4.883 50 0 HJAARN COc1ccc([C@H](NCC(=O)N[C@H](C)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000058158048 558903619 /nfs/dbraw/zinc/90/36/19/558903619.db2.gz DYZQQHXIDHBYBB-MZNJEOGPSA-N 0 0 408.929 4.905 50 0 HJAARN Clc1ccccc1C1=NCc2nnc(C3CC3)n2-c2sc(Br)cc21 ZINC000071770944 558911330 /nfs/dbraw/zinc/91/13/30/558911330.db2.gz BSAXHPDZCOBMID-UHFFFAOYSA-N 0 0 419.735 4.973 50 0 HJAARN Cc1cccc(NC(=O)CSc2nnc(Cc3cccc4ccccc43)n2C)c1C ZINC000004700628 558912236 /nfs/dbraw/zinc/91/22/36/558912236.db2.gz DLTZVXXFPSHMDC-UHFFFAOYSA-N 0 0 416.550 4.907 50 0 HJAARN CCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)c1ccco1 ZINC000004709629 558913636 /nfs/dbraw/zinc/91/36/36/558913636.db2.gz UVLXTISFXBLWIR-UHFFFAOYSA-N 0 0 422.525 4.695 50 0 HJAARN CCOc1ccc([C@H](NC(=O)c2cc(=O)c3ccccc3o2)C(C)C)cc1OCC ZINC000033239313 558914550 /nfs/dbraw/zinc/91/45/50/558914550.db2.gz IKYMSUQYGHIXMX-HSZRJFAPSA-N 0 0 409.482 4.718 50 0 HJAARN COc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccco4)=NN32)cc1OC ZINC000004715772 558915090 /nfs/dbraw/zinc/91/50/90/558915090.db2.gz HYBHKARLEJHYQE-UZUQRXQVSA-N 0 0 406.438 4.548 50 0 HJAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCC(C)C)C(=O)C(C)C)o1 ZINC000004717265 558915819 /nfs/dbraw/zinc/91/58/19/558915819.db2.gz FKWZLMLNWCVYTR-UHFFFAOYSA-N 0 0 412.574 4.690 50 0 HJAARN O=S(=O)(Cc1ccccc1Cl)NCc1cccc(COCc2ccccc2)c1 ZINC000058279031 558916185 /nfs/dbraw/zinc/91/61/85/558916185.db2.gz RVTAZPIDGUBGGT-UHFFFAOYSA-N 0 0 415.942 4.676 50 0 HJAARN CCc1ccc(S(=O)(=O)c2c(C(=O)N3CCC(C)CC3)cnc3ccccc32)cc1 ZINC000033249279 558916227 /nfs/dbraw/zinc/91/62/27/558916227.db2.gz HKLGYOZUZTTZBF-UHFFFAOYSA-N 0 0 422.550 4.502 50 0 HJAARN CC[C@H](C)NC(=O)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000004713931 558918282 /nfs/dbraw/zinc/91/82/82/558918282.db2.gz POHKRNPXCKMSRA-QMMMGPOBSA-N 0 0 402.829 4.658 50 0 HJAARN Cc1ccc(CNc2ccc3cc(S(=O)(=O)N4CCCC[C@H]4C)ccc3n2)cc1 ZINC000033250514 558919372 /nfs/dbraw/zinc/91/93/72/558919372.db2.gz ADCUTQMNXPUFMW-GOSISDBHSA-N 0 0 409.555 4.718 50 0 HJAARN COc1ccccc1-c1cc(C(=O)NC2(c3ccc(Br)cc3)CC2)no1 ZINC000058357503 558921543 /nfs/dbraw/zinc/92/15/43/558921543.db2.gz PVTFXWGOXYXVAI-UHFFFAOYSA-N 0 0 413.271 4.532 50 0 HJAARN Cc1c(N(Cc2ccc(F)cc2)Cc2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000058368576 558922433 /nfs/dbraw/zinc/92/24/33/558922433.db2.gz FSNIWWKTWWREGD-UHFFFAOYSA-N 0 0 419.475 4.969 50 0 HJAARN Cc1ccc(N2C[C@H](c3nc(-c4ccc(N5CCCCC5)cc4)no3)CC2=O)cc1C ZINC000033255341 558923369 /nfs/dbraw/zinc/92/33/69/558923369.db2.gz WWDJWQALPADUMX-HXUWFJFHSA-N 0 0 416.525 4.864 50 0 HJAARN CC(C)NC(=O)Nc1cccc(-c2noc(Cc3ccc(Br)cc3)n2)c1 ZINC000033257463 558924419 /nfs/dbraw/zinc/92/44/19/558924419.db2.gz AYMMAWHUIGCYRM-UHFFFAOYSA-N 0 0 415.291 4.620 50 0 HJAARN CCc1nc(-c2ccc(-n3cc(C(=O)Nc4cc(C)cc(C)c4)c(C)n3)cc2)no1 ZINC000033258538 558925596 /nfs/dbraw/zinc/92/55/96/558925596.db2.gz MOOWMEQVPGYQBO-UHFFFAOYSA-N 0 0 401.470 4.662 50 0 HJAARN Cc1nn(-c2ccc(-c3noc(C4CCCC4)n3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000033258639 558925764 /nfs/dbraw/zinc/92/57/64/558925764.db2.gz OIROWIFSFCGSGY-UHFFFAOYSA-N 0 0 419.529 4.760 50 0 HJAARN C[C@H](c1ccccc1Cl)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000058439320 558927293 /nfs/dbraw/zinc/92/72/93/558927293.db2.gz RRGVEQYMUFPBGI-GFCCVEGCSA-N 0 0 401.311 4.831 50 0 HJAARN Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Nc3cccc(F)c3)cc2)n1 ZINC000072119156 558927878 /nfs/dbraw/zinc/92/78/78/558927878.db2.gz IGECZIIWEVYSNN-UHFFFAOYSA-N 0 0 406.465 4.912 50 0 HJAARN Clc1ccc(-c2noc(CSc3ccc(-c4ccc5c(c4)OCO5)nn3)n2)cc1 ZINC000033262458 558931264 /nfs/dbraw/zinc/93/12/64/558931264.db2.gz BRSVHKGBDHQDQM-UHFFFAOYSA-N 0 0 424.869 4.868 50 0 HJAARN COc1ccc(-c2noc(CSc3ccc(-c4ccccc4F)nn3)n2)cc1OC ZINC000033262541 558931395 /nfs/dbraw/zinc/93/13/95/558931395.db2.gz BRGLTSOVYRIAAH-UHFFFAOYSA-N 0 0 424.457 4.642 50 0 HJAARN COc1ccc(-c2noc(CN(Cc3cccc(Cl)c3)C(C)C)n2)cc1OC ZINC000059038133 558931660 /nfs/dbraw/zinc/93/16/60/558931660.db2.gz OGQQWGIQLRKTJN-UHFFFAOYSA-N 0 0 401.894 4.818 50 0 HJAARN COc1ccc2oc(-c3cccc(NC(=O)COc4ccccc4F)c3C)nc2c1 ZINC000072260285 558932780 /nfs/dbraw/zinc/93/27/80/558932780.db2.gz VRDAQEPKCBQZJL-UHFFFAOYSA-N 0 0 406.413 4.968 50 0 HJAARN CCCCc1[nH]c(SCC(=O)Nc2ccc(OC(F)(F)Cl)cc2)nc1C ZINC000004629792 558933329 /nfs/dbraw/zinc/93/33/29/558933329.db2.gz DUPIOKNYDISPNO-UHFFFAOYSA-N 0 0 403.882 4.959 50 0 HJAARN Cc1nn(C)c2nc(C)cc(C(=O)Nc3ccc(N(C)C4CCCCC4)c(F)c3)c12 ZINC000059307815 558933822 /nfs/dbraw/zinc/93/38/22/558933822.db2.gz JMQUAHUSIXNCQM-UHFFFAOYSA-N 0 0 409.509 4.745 50 0 HJAARN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000059321204 558933982 /nfs/dbraw/zinc/93/39/82/558933982.db2.gz ILELCOVMHSBNRV-UZLBHIALSA-N 0 0 407.518 4.585 50 0 HJAARN C[C@H](OCCCNc1cnn(-c2ccc(F)cc2F)c(=O)c1Cl)c1ccccc1 ZINC000059376377 558934853 /nfs/dbraw/zinc/93/48/53/558934853.db2.gz UKGPFIWDWBHCKS-AWEZNQCLSA-N 0 0 419.859 4.744 50 0 HJAARN COc1ccc(-c2nc(CC(=O)Nc3cccc4c3ccn4C)cs2)cc1OC ZINC000072400565 558935013 /nfs/dbraw/zinc/93/50/13/558935013.db2.gz VQSBOCXULZYYLJ-UHFFFAOYSA-N 0 0 407.495 4.500 50 0 HJAARN C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N(Cc1cccnc1)C[C@@H]1CCCO1 ZINC000059786844 558939205 /nfs/dbraw/zinc/93/92/05/558939205.db2.gz PXRZOJFDKILXRF-NLFFAJNJSA-N 0 0 416.521 4.724 50 0 HJAARN CCOc1ccc([C@@H](CNC(=O)[C@@H](CC)OCC)c2c[nH]c3ccccc32)cc1OC ZINC000060032205 558940507 /nfs/dbraw/zinc/94/05/07/558940507.db2.gz COPBLVUGOXFIHG-DENIHFKCSA-N 0 0 424.541 4.638 50 0 HJAARN Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@@H](c2ccc(C)cc2C)CC(=O)N3)c1 ZINC000021784234 558949643 /nfs/dbraw/zinc/94/96/43/558949643.db2.gz ILMGSTRZENXCJO-GOSISDBHSA-N 0 0 405.523 4.874 50 0 HJAARN Cc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)c(C)c1 ZINC000021784241 558949687 /nfs/dbraw/zinc/94/96/87/558949687.db2.gz GTHINRZZRRVFET-GOSISDBHSA-N 0 0 405.523 4.874 50 0 HJAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c3ccsc3cc2C(=O)N1C1CCCC1 ZINC000021809831 558953033 /nfs/dbraw/zinc/95/30/33/558953033.db2.gz UJMAFORWTLDSJF-HSZRJFAPSA-N 0 0 413.587 4.699 50 0 HJAARN COc1ccc(NC(=O)CSCc2cc(=O)c3c(C)ccc(C)c3[nH]2)cc1Cl ZINC000033064117 558956902 /nfs/dbraw/zinc/95/69/02/558956902.db2.gz HEPSOQVCCFWMEJ-UHFFFAOYSA-N 0 0 416.930 4.679 50 0 HJAARN COc1ccc(C)cc1NC(=O)c1ccc2oc(=O)n(Cc3ccc(C)cc3)c2c1 ZINC000064894554 558967294 /nfs/dbraw/zinc/96/72/94/558967294.db2.gz FQINRPCUUAXTKL-UHFFFAOYSA-N 0 0 402.450 4.521 50 0 HJAARN O=S(=O)(c1ccc(Br)s1)N1CCCCC[C@H]1c1cccc(F)c1 ZINC000064984131 558968387 /nfs/dbraw/zinc/96/83/87/558968387.db2.gz IMABWYOIATVFLT-AWEZNQCLSA-N 0 0 418.353 4.956 50 0 HJAARN O=S(=O)(c1ccc(Br)s1)N1CCCCC[C@H]1c1cccs1 ZINC000064984122 558968400 /nfs/dbraw/zinc/96/84/00/558968400.db2.gz SDVPELNKESOXJV-NSHDSACASA-N 0 0 406.392 4.878 50 0 HJAARN Cc1cccc(CNS(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)c1 ZINC000065004914 558969670 /nfs/dbraw/zinc/96/96/70/558969670.db2.gz FEDWZJCDWZIQBH-UHFFFAOYSA-N 0 0 402.541 4.848 50 0 HJAARN Cc1nn2c(ncc(C(=O)NCc3ccc(OC(C)C)cc3)c2C)c1-c1ccccc1 ZINC000021914918 558971731 /nfs/dbraw/zinc/97/17/31/558971731.db2.gz QFFLRYZQIGPOJN-UHFFFAOYSA-N 0 0 414.509 4.730 50 0 HJAARN COCC[C@@H]1CN(Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)CCO1 ZINC000072410795 558977823 /nfs/dbraw/zinc/97/78/23/558977823.db2.gz NGTFHLSXBHIGTA-JOCHJYFZSA-N 0 0 408.498 4.680 50 0 HJAARN CCS(=O)(=O)c1cccc(NC(=O)c2oc3cc(Br)ccc3c2C)c1 ZINC000334161754 558980463 /nfs/dbraw/zinc/98/04/63/558980463.db2.gz FHRXTLKVSPFBOC-UHFFFAOYSA-N 0 0 422.300 4.550 50 0 HJAARN Clc1cccc(-n2nnnc2NCc2ccccc2Oc2ccccn2)c1Cl ZINC000066251405 558983537 /nfs/dbraw/zinc/98/35/37/558983537.db2.gz GMVNBKZQJFRFAR-UHFFFAOYSA-N 0 0 413.268 4.769 50 0 in-vitro HJAARN CCc1cccc(CC)c1NC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC000096815014 558986793 /nfs/dbraw/zinc/98/67/93/558986793.db2.gz SDXMTHYPKREUPK-LTGZKZEYSA-N 0 0 413.481 4.695 50 0 HJAARN CC(C)Oc1ccc(CNC(=O)Cc2cnc3ccccc3c2)c(C(F)(F)F)c1 ZINC000097002235 558987641 /nfs/dbraw/zinc/98/76/41/558987641.db2.gz CEYGRXBTOUIVCN-UHFFFAOYSA-N 0 0 402.416 4.900 50 0 HJAARN COc1ccc(NC(=O)NC[C@H](c2cn(C)c3ccccc23)c2cccnc2)cc1 ZINC000033267857 558990421 /nfs/dbraw/zinc/99/04/21/558990421.db2.gz QHBZKUZDVHMGGS-NRFANRHFSA-N 0 0 400.482 4.536 50 0 HJAARN Cn1ncc(Cl)c1C(=O)N1CCCCC[C@@H]1c1cc(-c2ccc(F)cc2)on1 ZINC000067640833 558990571 /nfs/dbraw/zinc/99/05/71/558990571.db2.gz ZAOKMPDDSBWCKP-QGZVFWFLSA-N 0 0 402.857 4.625 50 0 HJAARN Cc1nc(C(C)C)cc(N2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000067772474 558992600 /nfs/dbraw/zinc/99/26/00/558992600.db2.gz CUSDHPSAYJDCNO-UHFFFAOYSA-N 0 0 407.480 4.749 50 0 HJAARN CCc1ccc(NC(=O)N2CC[C@H](n3c(-c4ccco4)nc4cccnc43)C2)cc1 ZINC000097124884 558995996 /nfs/dbraw/zinc/99/59/96/558995996.db2.gz LBWNGVPBFAICJC-SFHVURJKSA-N 0 0 401.470 4.733 50 0 HJAARN Cc1ccccc1-c1ccc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cc3)C2)nn1 ZINC000022485919 558996176 /nfs/dbraw/zinc/99/61/76/558996176.db2.gz YDNDWYPAKQMDJO-KRWDZBQOSA-N 0 0 406.917 4.961 50 0 HJAARN Cc1sc2ccn(Cc3ccc(F)cc3)c(=O)c2c1C(=O)NCc1cccs1 ZINC000097151755 558997354 /nfs/dbraw/zinc/99/73/54/558997354.db2.gz QWLNOIBMERXOTN-UHFFFAOYSA-N 0 0 412.511 4.550 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 ZINC000023140455 559020179 /nfs/dbraw/zinc/02/01/79/559020179.db2.gz WHFCHGNBKHJILE-GFCCVEGCSA-N 0 0 418.906 4.872 50 0 HJAARN CC(=O)c1ccc(C(=O)N(CCn2cccn2)c2nc3c(cc(C)cc3C)s2)cc1 ZINC000023144852 559021195 /nfs/dbraw/zinc/02/11/95/559021195.db2.gz FXZBWWYYTYFCEG-UHFFFAOYSA-N 0 0 418.522 4.659 50 0 HJAARN COc1cc(OC)c(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cc1Cl ZINC000023175207 559025661 /nfs/dbraw/zinc/02/56/61/559025661.db2.gz MXOFCVXFQRXMIG-UHFFFAOYSA-N 0 0 406.269 4.757 50 0 HJAARN Cc1nc(-c2ccc(C)c(-n3cc(C(=O)Nc4cccc(C)c4C)c(C)n3)c2)no1 ZINC000033275261 559034769 /nfs/dbraw/zinc/03/47/69/559034769.db2.gz MJZDNGJSKQMCRI-UHFFFAOYSA-N 0 0 401.470 4.717 50 0 HJAARN Cc1nc(-c2ccc(C)c(-n3cc(C(=O)Nc4ccc(C)cc4C)c(C)n3)c2)no1 ZINC000033275283 559034931 /nfs/dbraw/zinc/03/49/31/559034931.db2.gz QQEHPMNBTRHTMD-UHFFFAOYSA-N 0 0 401.470 4.717 50 0 HJAARN COc1cc(NC(=O)c2cccc(-c3nc(-c4ccc(F)cc4)no3)c2)cc(OC)c1 ZINC000033279049 559042385 /nfs/dbraw/zinc/04/23/85/559042385.db2.gz AAOQFJNAWMSFTH-UHFFFAOYSA-N 0 0 419.412 4.812 50 0 HJAARN O=C(Nc1ccc2c(c1)OCO2)c1ccc(-c2nc(-c3cccc(F)c3)no2)cc1 ZINC000033279013 559042394 /nfs/dbraw/zinc/04/23/94/559042394.db2.gz JFLKSTJVGKVFNB-UHFFFAOYSA-N 0 0 403.369 4.524 50 0 HJAARN COC(=O)c1ccc(NC(=O)c2cccc(-c3nc(-c4cccc(F)c4)no3)c2)cc1 ZINC000033279108 559042518 /nfs/dbraw/zinc/04/25/18/559042518.db2.gz LMPFXSNHMBVQAW-UHFFFAOYSA-N 0 0 417.396 4.582 50 0 HJAARN CCc1nc2ccccc2c(OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)n1 ZINC000033287318 559043931 /nfs/dbraw/zinc/04/39/31/559043931.db2.gz YZGZUYLWKZWSHB-UHFFFAOYSA-N 0 0 409.795 4.882 50 0 HJAARN COc1ccc(NC(=O)CSc2nccnc2Sc2ccc(C)cc2)cc1F ZINC000033288826 559044378 /nfs/dbraw/zinc/04/43/78/559044378.db2.gz LUPSEDILQXJWFY-UHFFFAOYSA-N 0 0 415.515 4.815 50 0 HJAARN COc1cccc([C@@H](C)NC(=O)CSc2nccnc2Sc2ccccc2)c1 ZINC000033288907 559044463 /nfs/dbraw/zinc/04/44/63/559044463.db2.gz FCNRCOAPSOYXEF-OAHLLOKOSA-N 0 0 411.552 4.606 50 0 HJAARN COc1ccc(CNS(=O)(=O)c2cc(-c3nc(C(C)C)cs3)sc2C)cc1 ZINC000033290129 559047157 /nfs/dbraw/zinc/04/71/57/559047157.db2.gz PDCZXKSZZOOJQO-UHFFFAOYSA-N 0 0 422.597 4.791 50 0 HJAARN Cc1ccccc1CNS(=O)(=O)c1cc(-c2nc(C(C)(C)C)cs2)cs1 ZINC000033297836 559047751 /nfs/dbraw/zinc/04/77/51/559047751.db2.gz YAIVWHUADKFYTJ-UHFFFAOYSA-N 0 0 406.598 4.956 50 0 HJAARN CCOc1ccc(-c2noc(Cc3nc(-c4ccc(OC)c(OC)c4)cs3)n2)cc1 ZINC000033298210 559047819 /nfs/dbraw/zinc/04/78/19/559047819.db2.gz UNGOTVBRLSWZDE-UHFFFAOYSA-N 0 0 423.494 4.867 50 0 HJAARN O=c1ccn(-c2ccc(Cl)cc2)nc1-c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000033300477 559049803 /nfs/dbraw/zinc/04/98/03/559049803.db2.gz QOFXNWCYQHLLHK-UHFFFAOYSA-N 0 0 418.762 4.622 50 0 HJAARN Cc1cc(SCC(=O)NCc2ccccc2Cl)nc(-c2ccc(F)cc2)n1 ZINC000033301557 559051065 /nfs/dbraw/zinc/05/10/65/559051065.db2.gz VUQQXCAKTUPOGV-UHFFFAOYSA-N 0 0 401.894 4.653 50 0 HJAARN Cc1c(-c2nsc(Nc3ccc(Cl)cc3)n2)nnn1-c1ccc(C)c(F)c1 ZINC000033302079 559051188 /nfs/dbraw/zinc/05/11/88/559051188.db2.gz PQJZAWFVPIFCNX-UHFFFAOYSA-N 0 0 400.870 4.939 50 0 HJAARN O=C(Nc1cccc(OCc2nnc(-c3ccc(Cl)cc3)o2)c1)c1ccccn1 ZINC000033307400 559052099 /nfs/dbraw/zinc/05/20/99/559052099.db2.gz APMMWPSRCRNTTR-UHFFFAOYSA-N 0 0 406.829 4.616 50 0 HJAARN CC(C)Sc1ccc(CC(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)cc1 ZINC000585146964 559057544 /nfs/dbraw/zinc/05/75/44/559057544.db2.gz XQWZRBNNRJJMHQ-KRWDZBQOSA-N 0 0 423.504 4.539 50 0 HJAARN COC(=O)c1c(NC(=O)C2=Cc3ccc(C)cc3OC=C2)sc2c1CC[C@@H](C)C2 ZINC000033321310 559058059 /nfs/dbraw/zinc/05/80/59/559058059.db2.gz QGWQHFLBDHBOGM-CQSZACIVSA-N 0 0 409.507 4.896 50 0 HJAARN Cc1ccccc1NC(=O)COc1ccccc1-c1noc(-c2ccc(F)cc2)n1 ZINC000033325015 559058537 /nfs/dbraw/zinc/05/85/37/559058537.db2.gz PYJADXPMXGUCMM-UHFFFAOYSA-N 0 0 403.413 4.869 50 0 HJAARN CC1CCN(C(=O)COc2cccc(-c3noc(-c4cccc(Cl)c4)n3)c2)CC1 ZINC000033327308 559059961 /nfs/dbraw/zinc/05/99/61/559059961.db2.gz OUEJCSSQEOMUGH-UHFFFAOYSA-N 0 0 411.889 4.694 50 0 HJAARN COc1cccc(-c2nc(-c3cccc(OCC(=O)Nc4ccc(C)cc4)c3)no2)c1 ZINC000033327380 559060133 /nfs/dbraw/zinc/06/01/33/559060133.db2.gz JXOGINYMZOITNW-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN COc1cccc(-c2nc(-c3cccc(OCC(=O)Nc4ccccc4C)c3)no2)c1 ZINC000033327382 559060168 /nfs/dbraw/zinc/06/01/68/559060168.db2.gz OJHVBYNSJYFLJD-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN COC(=O)c1ccc(CSc2nnc3c4ccccc4nc(-c4ccco4)n23)cc1 ZINC000033328930 559061137 /nfs/dbraw/zinc/06/11/37/559061137.db2.gz HXZLRUOZADEWGD-UHFFFAOYSA-N 0 0 416.462 4.616 50 0 HJAARN COc1cc(C(F)(F)F)ccc1C(=O)Nc1ccccc1C(=O)N1CCCC[C@H]1C ZINC000004783879 559062858 /nfs/dbraw/zinc/06/28/58/559062858.db2.gz NZDIHMFEOJAYGN-CQSZACIVSA-N 0 0 420.431 4.981 50 0 HJAARN COc1cc(Br)c(CN[C@@H](c2nc3ccccc3[nH]2)C(C)C)cc1OC ZINC000098081565 559064791 /nfs/dbraw/zinc/06/47/91/559064791.db2.gz RCOZMVOXYMJABW-LJQANCHMSA-N 0 0 418.335 4.830 50 0 HJAARN CC(C)CNC(=O)COC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC000004798403 559066712 /nfs/dbraw/zinc/06/67/12/559066712.db2.gz BKWZKPXGYSFNHW-UHFFFAOYSA-N 0 0 414.552 4.518 50 0 HJAARN COc1cc(NC(=O)c2sc(C)nc2-c2ccccc2)ccc1N1CCCC1=O ZINC000011447013 559076517 /nfs/dbraw/zinc/07/65/17/559076517.db2.gz OVNXXJFPIAHKSE-UHFFFAOYSA-N 0 0 407.495 4.506 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000011461338 559077597 /nfs/dbraw/zinc/07/75/97/559077597.db2.gz NLEJYOYJGHVKTO-UHFFFAOYSA-N 0 0 421.806 4.983 50 0 HJAARN COc1cccc(C(=O)N2c3ncnn3[C@@H](c3ccccc3)C[C@@H]2c2ccccc2)c1 ZINC000004815011 559077906 /nfs/dbraw/zinc/07/79/06/559077906.db2.gz PDWQODMSHOYVKR-DHIUTWEWSA-N 0 0 410.477 4.668 50 0 HJAARN CC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)c2)cc1 ZINC000095483122 559081357 /nfs/dbraw/zinc/08/13/57/559081357.db2.gz BBMCBJUYOXPAOJ-OYRHEFFESA-N 0 0 405.494 4.883 50 0 HJAARN Cc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2cccc(Cl)c2)cc1 ZINC000004816459 559089305 /nfs/dbraw/zinc/08/93/05/559089305.db2.gz ZNVADEZFSJIGQW-UHFFFAOYSA-N 0 0 403.873 4.603 50 0 HJAARN COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)C(C)C)c3ncnn32)cc1 ZINC000004816782 559113542 /nfs/dbraw/zinc/11/35/42/559113542.db2.gz HJZYYPSHSVKLCO-WOJBJXKFSA-N 0 0 410.905 4.664 50 0 HJAARN CCCCCOc1cc(S(=O)(=O)N2CCCCCC2)ccc1Br ZINC000011614201 559114296 /nfs/dbraw/zinc/11/42/96/559114296.db2.gz UNPDUYNQODJAPH-UHFFFAOYSA-N 0 0 404.370 4.583 50 0 HJAARN COc1ccc([C@H]2C[C@H](c3ccccc3)N(C(=O)c3ccccc3)c3ncnn32)cc1 ZINC000004816746 559114357 /nfs/dbraw/zinc/11/43/57/559114357.db2.gz VEGAOXVSBYYXBE-DHIUTWEWSA-N 0 0 410.477 4.668 50 0 HJAARN COc1ccc(-c2c[nH]c(-c3ccc(CNC(=O)C(Cl)(Cl)Cl)cc3)n2)cc1 ZINC000023313104 559115977 /nfs/dbraw/zinc/11/59/77/559115977.db2.gz HGYGDMRMQJPVCH-UHFFFAOYSA-N 0 0 424.715 4.739 50 0 HJAARN Cc1ccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c(F)c1 ZINC000098072702 559126358 /nfs/dbraw/zinc/12/63/58/559126358.db2.gz NKWREBCIWADYEF-UHFFFAOYSA-N 0 0 412.202 4.716 50 0 HJAARN Cc1ccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c(C)c1 ZINC000098072925 559126486 /nfs/dbraw/zinc/12/64/86/559126486.db2.gz PTXYNQPCTZBZNP-UHFFFAOYSA-N 0 0 408.239 4.886 50 0 HJAARN Cc1ccc(F)c(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1 ZINC000098072936 559126502 /nfs/dbraw/zinc/12/65/02/559126502.db2.gz QRTICXHSDVBKMG-UHFFFAOYSA-N 0 0 412.202 4.716 50 0 HJAARN Cc1ccc(C)c(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c1 ZINC000098072995 559126602 /nfs/dbraw/zinc/12/66/02/559126602.db2.gz NKFZJYGBWKEPJC-UHFFFAOYSA-N 0 0 408.239 4.886 50 0 HJAARN Cc1ccc(F)c(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c1 ZINC000098072978 559126615 /nfs/dbraw/zinc/12/66/15/559126615.db2.gz WNVZNUSAFFDGEL-UHFFFAOYSA-N 0 0 412.202 4.716 50 0 HJAARN FC(F)Oc1ccccc1C1=Nc2ncnn2[C@@H](c2ccc(Br)cc2)C1 ZINC000100717333 559138313 /nfs/dbraw/zinc/13/83/13/559138313.db2.gz YANHJPIXBMYVKB-OAHLLOKOSA-N 0 0 419.229 4.698 50 0 HJAARN C[C@@H]1CC[C@@H]2C(=O)N(c3cc(Cl)ccc3OC(=O)c3cccs3)C(=O)[C@@H]2C1 ZINC000100839482 559141266 /nfs/dbraw/zinc/14/12/66/559141266.db2.gz AOANUSUIVYYTNG-KWCYVHTRSA-N 0 0 403.887 4.546 50 0 HJAARN CCOc1ccc(N[C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1 ZINC000100936573 559141993 /nfs/dbraw/zinc/14/19/93/559141993.db2.gz BYUYWEJOHOAPTQ-QFIPXVFZSA-N 0 0 402.450 4.622 50 0 HJAARN Cc1sc2[nH]c(COC(=O)c3cc(C(C)C)cc(C(C)C)c3O)nc(=O)c2c1C ZINC000014013628 559143012 /nfs/dbraw/zinc/14/30/12/559143012.db2.gz DSHUDJAXTFODTD-UHFFFAOYSA-N 0 0 414.527 4.911 50 0 HJAARN COc1ccc(CCNC(=O)c2c(C)noc2-c2ccc(C(C)(C)C)cc2)cc1OC ZINC000023323576 559147170 /nfs/dbraw/zinc/14/71/70/559147170.db2.gz GXRUCJZXBZPMAJ-UHFFFAOYSA-N 0 0 422.525 4.937 50 0 HJAARN CCOC(=O)c1cc([C@H](C)CC)n(-c2ccc(C(=O)N(C)Cc3ccccc3)cc2)n1 ZINC000023324041 559148403 /nfs/dbraw/zinc/14/84/03/559148403.db2.gz VNLXSOJGFFQRJG-GOSISDBHSA-N 0 0 419.525 4.835 50 0 HJAARN O=C(c1c(F)cccc1F)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023324825 559150040 /nfs/dbraw/zinc/15/00/40/559150040.db2.gz PXWCPSDZORXINN-QHCPKHFHSA-N 0 0 410.439 4.651 50 0 HJAARN CC(C)(C)[C@H]1CCc2c(sc3ncc(NC(=O)c4ccc(Cl)cc4)c(=O)n32)C1 ZINC000014291528 559163524 /nfs/dbraw/zinc/16/35/24/559163524.db2.gz ANMMJPOTDWKFJY-ZDUSSCGKSA-N 0 0 415.946 4.813 50 0 HJAARN CCCOc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)s2)cc1OCCC ZINC000014348686 559164103 /nfs/dbraw/zinc/16/41/03/559164103.db2.gz NFFFYAAFAGUZCO-UHFFFAOYSA-N 0 0 402.516 4.927 50 0 HJAARN CC(=O)c1ccc(NC(=O)CSc2nnc(Nc3ccc(C)c(C)c3)s2)cc1 ZINC000004835579 559165592 /nfs/dbraw/zinc/16/55/92/559165592.db2.gz MLSJASNERBCZKW-UHFFFAOYSA-N 0 0 412.540 4.832 50 0 HJAARN CC[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000004835713 559165723 /nfs/dbraw/zinc/16/57/23/559165723.db2.gz QUYJHTSIMUXNJU-LJQANCHMSA-N 0 0 406.555 4.818 50 0 HJAARN COc1ccc(C(=O)n2nc(-c3ccco3)nc2NCc2ccc(C(C)C)cc2)cc1 ZINC000014611114 559171211 /nfs/dbraw/zinc/17/12/11/559171211.db2.gz IVTCWOSBBVFNPL-UHFFFAOYSA-N 0 0 416.481 4.971 50 0 HJAARN CC(=O)O[C@H](C(=O)N1CCc2ccccc2[C@@H]1c1ccccc1F)c1ccccc1 ZINC000023335527 559172218 /nfs/dbraw/zinc/17/22/18/559172218.db2.gz UHIPHMKUKNIUNB-RPWUZVMVSA-N 0 0 403.453 4.604 50 0 HJAARN Cc1nnc(-c2cc(C(C)C)n(-c3cccc(C(=O)NCc4cccc(C)c4)c3)n2)o1 ZINC000023449763 559174608 /nfs/dbraw/zinc/17/46/08/559174608.db2.gz DYRUIMXLXDCMRN-UHFFFAOYSA-N 0 0 415.497 4.593 50 0 HJAARN COc1ccc(CCN(C)C(=O)c2cc(-c3ccc4ccccc4c3)on2)cc1OC ZINC000023439061 559174873 /nfs/dbraw/zinc/17/48/73/559174873.db2.gz PTBYJCJFSCLKLH-UHFFFAOYSA-N 0 0 416.477 4.827 50 0 HJAARN COc1ccc(-c2cccc(-n3cncc3C(=O)NCc3cccs3)c2)cc1OC ZINC000023455222 559176124 /nfs/dbraw/zinc/17/61/24/559176124.db2.gz OKUDQTBOTBSPAY-UHFFFAOYSA-N 0 0 419.506 4.548 50 0 HJAARN CC(C)(C)OC(=O)Nc1cccc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)c1 ZINC000023510448 559176555 /nfs/dbraw/zinc/17/65/55/559176555.db2.gz QKPLXTNKQRPIDS-UHFFFAOYSA-N 0 0 424.419 4.905 50 0 HJAARN Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)Cc3ccccc3Cl)C2)n1 ZINC000220807790 559177339 /nfs/dbraw/zinc/17/73/39/559177339.db2.gz PIAOATMEDCCWKO-KRWDZBQOSA-N 0 0 409.917 4.722 50 0 HJAARN COc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4)=NN32)cc1OC ZINC000004844481 559179149 /nfs/dbraw/zinc/17/91/49/559179149.db2.gz SKJILRQZZQXYPF-CJFMBICVSA-N 0 0 416.477 4.955 50 0 HJAARN Cc1cccc(Oc2nc(CN3CCOCC3)nc3sc4c(c32)CC[C@@H](C)C4)c1 ZINC000023955539 559186439 /nfs/dbraw/zinc/18/64/39/559186439.db2.gz VWZPITAPYITBHW-MRXNPFEDSA-N 0 0 409.555 4.749 50 0 HJAARN Cc1ccc(C)c(NC(=O)Cc2csc(SCC(=O)c3cccs3)n2)c1 ZINC000011694984 559188550 /nfs/dbraw/zinc/18/85/50/559188550.db2.gz UFHFWMYAJMCIAB-UHFFFAOYSA-N 0 0 402.566 4.978 50 0 HJAARN Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CCNCS(=O)(=O)c2ccc(F)cc2)C1(C)C ZINC000033434064 559191874 /nfs/dbraw/zinc/19/18/74/559191874.db2.gz KYMABHKBLRJVOF-DENIHFKCSA-N 0 0 414.546 4.766 50 0 HJAARN O=C(NCc1ccccc1)N1CCn2cccc2[C@H]1c1ccc(Br)cc1 ZINC000004854395 559192277 /nfs/dbraw/zinc/19/22/77/559192277.db2.gz FIDNMPZUGJMUJS-HXUWFJFHSA-N 0 0 410.315 4.565 50 0 HJAARN O=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1Cc1ccccn1 ZINC000004869227 559193935 /nfs/dbraw/zinc/19/39/35/559193935.db2.gz VXGIDQSYMHGAKB-XMMPIXPASA-N 0 0 412.518 4.709 50 0 HJAARN C[C@H](NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc21)c1ccc(F)cc1 ZINC000004871088 559194342 /nfs/dbraw/zinc/19/43/42/559194342.db2.gz VOQSNSUTTQQIFN-HNNXBMFYSA-N 0 0 418.424 4.668 50 0 HJAARN CCC(=O)N(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)CC(C)C ZINC000004872169 559194534 /nfs/dbraw/zinc/19/45/34/559194534.db2.gz ANYXFAHXQLGRFV-UHFFFAOYSA-N 0 0 404.551 4.619 50 0 HJAARN COc1cccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2ccc(F)cc2)c1 ZINC000004890660 559198223 /nfs/dbraw/zinc/19/82/23/559198223.db2.gz UDRCXTHEMXPUHG-UHFFFAOYSA-N 0 0 411.502 4.678 50 0 HJAARN COc1ccc(Cn2c(CCC(=O)Nc3cc(C)cc(C)c3)nc3cccnc32)cc1 ZINC000004901103 559199662 /nfs/dbraw/zinc/19/96/62/559199662.db2.gz OZUACQIJNJOBJA-UHFFFAOYSA-N 0 0 414.509 4.676 50 0 HJAARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(C(=O)c2ccc(C)cc2)C2CC2)o1 ZINC000004910539 559202315 /nfs/dbraw/zinc/20/23/15/559202315.db2.gz AECCXQHDJYLYKJ-UHFFFAOYSA-N 0 0 416.521 4.730 50 0 HJAARN 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IZPLZIJMBSDKSH-INIZCTEOSA-N 0 0 413.905 4.639 50 0 HJAARN C[C@@H]1CCC[C@H](NC(=O)CCC(=O)Nc2ccc(OCc3ccccc3)cc2)[C@H]1C ZINC000103140303 560838778 /nfs/dbraw/zinc/83/87/78/560838778.db2.gz BOQRVJRRDQKUTH-MSYCTHLASA-N 0 0 408.542 4.925 50 0 HJAARN COc1ccc([C@@H]2[C@H](C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c3ccccc3C(=O)N2C)cc1 ZINC000103231088 560840367 /nfs/dbraw/zinc/84/03/67/560840367.db2.gz OQKNHPMJPWATPX-QKRAAVLZSA-N 0 0 420.553 4.547 50 0 HJAARN C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000103268229 560840603 /nfs/dbraw/zinc/84/06/03/560840603.db2.gz LSECTTZCWRMBDU-DCAQKATOSA-N 0 0 420.888 4.672 50 0 HJAARN O=C(Nc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1Cl)c1cccs1 ZINC000015267126 560853978 /nfs/dbraw/zinc/85/39/78/560853978.db2.gz BYYIPTJRVFRPLZ-UHFFFAOYSA-N 0 0 400.843 4.635 50 0 HJAARN CCOc1ccc(-c2cc(C(=O)Nc3ccc(Br)c(C)c3)n[nH]2)cc1 ZINC000051315504 560856146 /nfs/dbraw/zinc/85/61/46/560856146.db2.gz FJMGLYQIHBHPPX-UHFFFAOYSA-N 0 0 400.276 4.799 50 0 HJAARN COC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)o1 ZINC000005735476 560861000 /nfs/dbraw/zinc/86/10/00/560861000.db2.gz YKGHJXHJDJLHPH-UHFFFAOYSA-N 0 0 405.479 4.915 50 0 HJAARN COc1ccccc1OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 ZINC000005750761 560883504 /nfs/dbraw/zinc/88/35/04/560883504.db2.gz IQZAVKIXQNYLMR-GOSISDBHSA-N 0 0 410.857 4.698 50 0 HJAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1csc(-c2ncccn2)n1 ZINC000047195948 560884404 /nfs/dbraw/zinc/88/44/04/560884404.db2.gz BTTGFBRVTABWIK-UHFFFAOYSA-N 0 0 418.322 4.890 50 0 HJAARN O=C1c2ccccc2C(=O)N1CCCCSc1ncnc2sc3c(c21)CCCC3 ZINC000002680324 560885245 /nfs/dbraw/zinc/88/52/45/560885245.db2.gz MYSBITRPQRQDQI-UHFFFAOYSA-N 0 0 423.563 4.739 50 0 HJAARN O=C(c1cc2c(s1)CCCC2)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000020606743 560885829 /nfs/dbraw/zinc/88/58/29/560885829.db2.gz QIBUTOLSCPLYPK-UHFFFAOYSA-N 0 0 408.489 4.604 50 0 HJAARN Cc1ccn(C[C@H](C)CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)n1 ZINC000020616418 560885879 /nfs/dbraw/zinc/88/58/79/560885879.db2.gz KIJXJFWWDTVOPS-GOSISDBHSA-N 0 0 414.553 4.877 50 0 HJAARN Cc1cc(OCC(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)cc(C)c1Cl ZINC000012111457 560889240 /nfs/dbraw/zinc/88/92/40/560889240.db2.gz DAXIMLGCIJNFLD-UHFFFAOYSA-N 0 0 415.877 4.812 50 0 HJAARN Cc1ccc(C(C)C)c(OCC(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)c1 ZINC000012111454 560889242 /nfs/dbraw/zinc/88/92/42/560889242.db2.gz SOHSXDJECBNMOJ-UHFFFAOYSA-N 0 0 409.486 4.973 50 0 HJAARN CCOc1ccc(-c2ccc(SCC(=O)Nc3nc4ccccc4s3)nn2)cc1 ZINC000012140470 560890239 /nfs/dbraw/zinc/89/02/39/560890239.db2.gz PLZUPVQLJOORRB-UHFFFAOYSA-N 0 0 422.535 4.883 50 0 HJAARN CC(C)c1cc(C(=O)N2CCc3ccccc3C2)nn1-c1nc2ccccc2s1 ZINC000012223598 560893759 /nfs/dbraw/zinc/89/37/59/560893759.db2.gz VQTBOEPQYFZBRS-UHFFFAOYSA-N 0 0 402.523 4.804 50 0 HJAARN O=C(N=c1scc(-c2ccc(C3CCCCC3)cc2)n1CCO)c1ccccc1 ZINC000252666475 568417279 /nfs/dbraw/zinc/41/72/79/568417279.db2.gz BOXVEHBLZGPKBB-UHFFFAOYSA-N 0 0 406.551 4.998 50 0 HJAARN CCCNc1c2ccccc2oc(=O)c1NS(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000045962090 568422810 /nfs/dbraw/zinc/42/28/10/568422810.db2.gz ZAXMYILGSXWPSR-UHFFFAOYSA-N 0 0 414.527 4.649 50 0 HJAARN Cc1noc(-c2ccccc2OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 ZINC000046012421 568423514 /nfs/dbraw/zinc/42/35/14/568423514.db2.gz YWQBFWCXPPTWPO-UHFFFAOYSA-N 0 0 411.767 4.735 50 0 HJAARN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1C ZINC000046017638 568423782 /nfs/dbraw/zinc/42/37/82/568423782.db2.gz MVXLEIZXPSHZSX-UHFFFAOYSA-N 0 0 404.557 4.678 50 0 HJAARN Cc1cccc([C@H]2CCCN2C(=O)c2cc3nc(C4CC4)cc(C(F)(F)F)n3n2)c1 ZINC000046017956 568423849 /nfs/dbraw/zinc/42/38/49/568423849.db2.gz NOVXGNNOTJGODB-GOSISDBHSA-N 0 0 414.431 4.911 50 0 HJAARN O=C(Cc1cccc2ccccc21)N1CCC[C@@H](C(=O)Nc2ccccc2Cl)C1 ZINC000046045013 568425023 /nfs/dbraw/zinc/42/50/23/568425023.db2.gz WNCPBRAWWAFVLP-LJQANCHMSA-N 0 0 406.913 4.913 50 0 HJAARN O=C(Cc1cccc2ccccc21)N1CCC[C@H](C(=O)Nc2ccccc2Cl)C1 ZINC000046045010 568425051 /nfs/dbraw/zinc/42/50/51/568425051.db2.gz WNCPBRAWWAFVLP-IBGZPJMESA-N 0 0 406.913 4.913 50 0 HJAARN CCc1ccc(NC(=O)[C@H]2CCCN(C(=O)Cc3cccc4ccccc43)C2)cc1 ZINC000046045080 568425064 /nfs/dbraw/zinc/42/50/64/568425064.db2.gz GKEBZNZXVIOYJD-QFIPXVFZSA-N 0 0 400.522 4.822 50 0 HJAARN Cc1ccc2c(=O)c(C(=O)c3cccc(Cl)c3)cn(Cc3cccc(F)c3)c2n1 ZINC000046053749 568425477 /nfs/dbraw/zinc/42/54/77/568425477.db2.gz VXWVOSRDFWSFEB-UHFFFAOYSA-N 0 0 406.844 4.777 50 0 HJAARN COc1ccc(C(=O)c2cn(Cc3ccccc3Cl)c3nc(C)ccc3c2=O)cc1 ZINC000046053736 568425493 /nfs/dbraw/zinc/42/54/93/568425493.db2.gz PQDATKNCVSPNFG-UHFFFAOYSA-N 0 0 418.880 4.646 50 0 HJAARN COc1ccc(C(=O)c2cn(Cc3ccc(Cl)cc3)c3nc(C)ccc3c2=O)cc1 ZINC000046053737 568425504 /nfs/dbraw/zinc/42/55/04/568425504.db2.gz IMFZJJRHSVCGDN-UHFFFAOYSA-N 0 0 418.880 4.646 50 0 HJAARN Cc1ccc2c(=O)c(C(=O)c3ccccc3)cn(Cc3ccc(Cl)cc3F)c2n1 ZINC000046053723 568425509 /nfs/dbraw/zinc/42/55/09/568425509.db2.gz ZXBNADWSLLQGSK-UHFFFAOYSA-N 0 0 406.844 4.777 50 0 HJAARN Cc1nn(-c2ccc(F)cc2F)c2c1[C@H](C(=O)c1ccc(C(C)C)cc1)CC(=O)N2 ZINC000046057214 568426096 /nfs/dbraw/zinc/42/60/96/568426096.db2.gz ONGFGEKFPKGRDN-QGZVFWFLSA-N 0 0 409.436 4.891 50 0 HJAARN CCN(c1ccc2sc(C(=O)Nc3ccc(C)c(Cl)c3)cc2c1)S(C)(=O)=O ZINC000046058206 568426380 /nfs/dbraw/zinc/42/63/80/568426380.db2.gz RJFFKEHZEJPEQQ-UHFFFAOYSA-N 0 0 422.959 4.901 50 0 HJAARN CCCN(CCC)S(=O)(=O)c1cc2c(cc1Cl)Oc1ccc(C)cc1NC2=O ZINC000046077503 568427403 /nfs/dbraw/zinc/42/74/03/568427403.db2.gz LPUHGVMPSZNWEW-UHFFFAOYSA-N 0 0 422.934 4.817 50 0 HJAARN Cc1ccc2c(c1)NC(=O)c1cc(S(=O)(=O)N(C)c3c(C)cccc3C)ccc1O2 ZINC000046077633 568427449 /nfs/dbraw/zinc/42/74/49/568427449.db2.gz KZGVUIVSIZBQDE-UHFFFAOYSA-N 0 0 422.506 4.795 50 0 HJAARN C[C@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1)c1ccccc1 ZINC000046078935 568427639 /nfs/dbraw/zinc/42/76/39/568427639.db2.gz DEUNMNRZWBSGTA-KRWDZBQOSA-N 0 0 402.469 4.910 50 0 HJAARN CC(C)CCNC(=O)c1ccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000046079671 568427893 /nfs/dbraw/zinc/42/78/93/568427893.db2.gz IRVODFPDRDJTRS-UHFFFAOYSA-N 0 0 413.949 4.948 50 0 HJAARN O=C(Nc1ccccc1F)c1cccc(N2CCCN(Cc3ccccc3)C2=O)c1 ZINC000046080042 568427992 /nfs/dbraw/zinc/42/79/92/568427992.db2.gz NVKGGHXTOSRWGU-UHFFFAOYSA-N 0 0 403.457 4.910 50 0 HJAARN CCC(CC)C(=O)N1CCC[C@H](c2nnc(C(=O)Nc3cccc(Cl)c3)s2)C1 ZINC000046123407 568428338 /nfs/dbraw/zinc/42/83/38/568428338.db2.gz YQRGJKTYALVWKX-AWEZNQCLSA-N 0 0 420.966 4.586 50 0 HJAARN CC(C)Cn1c(SCC(=O)Nc2cccc(C(C)C)c2)nc2ccccc2c1=O ZINC000051357433 568430852 /nfs/dbraw/zinc/43/08/52/568430852.db2.gz RWJRSCQQUFVGPU-UHFFFAOYSA-N 0 0 409.555 4.907 50 0 HJAARN COc1ccc([C@H]2CCCCCN2C(=O)Nc2nnc(-c3ccccn3)s2)cc1 ZINC000047790208 568431209 /nfs/dbraw/zinc/43/12/09/568431209.db2.gz SJQPUNMQMACLAN-GOSISDBHSA-N 0 0 409.515 4.758 50 0 HJAARN Cc1cc(NC(=O)CSCC(=O)N([C@H](C)c2cccc3ccccc32)C2CC2)no1 ZINC000048303568 568436082 /nfs/dbraw/zinc/43/60/82/568436082.db2.gz CYWGMXJNRBVSJJ-MRXNPFEDSA-N 0 0 423.538 4.560 50 0 HJAARN Cc1ccc2nc(C)c(C(=O)NCc3ccc(N4CCc5ccccc5C4)nc3)cc2c1 ZINC000048301966 568437556 /nfs/dbraw/zinc/43/75/56/568437556.db2.gz YOMBZLPFUXHPEH-UHFFFAOYSA-N 0 0 422.532 4.739 50 0 HJAARN COc1cc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)c(OC)cc1Cl ZINC000051364579 568438238 /nfs/dbraw/zinc/43/82/38/568438238.db2.gz RCXKWHHCYOUJNE-OAHLLOKOSA-N 0 0 424.884 4.516 50 0 HJAARN COc1cc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)c(OC)cc1Cl ZINC000051364580 568438275 /nfs/dbraw/zinc/43/82/75/568438275.db2.gz RCXKWHHCYOUJNE-HNNXBMFYSA-N 0 0 424.884 4.516 50 0 HJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)cc1Cl ZINC000051364624 568438839 /nfs/dbraw/zinc/43/88/39/568438839.db2.gz BADSBDCLJYZMKO-UHFFFAOYSA-N 0 0 415.946 4.745 50 0 HJAARN O=C(c1sc2cc(Cl)cc(Cl)c2c1Cl)N1CCN(C(=O)C2CC2)CC1 ZINC000048332930 568439302 /nfs/dbraw/zinc/43/93/02/568439302.db2.gz IJWNPVOERXGUQK-UHFFFAOYSA-N 0 0 417.745 4.556 50 0 HJAARN Cc1sc2ncnc(Sc3nnc(COc4ccc(Cl)cc4)n3C)c2c1C ZINC000048341972 568440541 /nfs/dbraw/zinc/44/05/41/568440541.db2.gz TUTUSMSSNJIBHF-UHFFFAOYSA-N 0 0 417.947 4.820 50 0 HJAARN Cc1cccc(-c2csc3c2[nH]c(N2CCN(c4cccc(C)c4)CC2)nc3=O)c1 ZINC000048987279 568443938 /nfs/dbraw/zinc/44/39/38/568443938.db2.gz IICHGYXYLHGQBK-UHFFFAOYSA-N 0 0 416.550 4.595 50 0 HJAARN CC(=O)c1cccc(Nc2c(C(=O)N3CCC[C@H](C)C3)cnc3nc(C)ccc32)c1 ZINC000049005344 568444451 /nfs/dbraw/zinc/44/44/51/568444451.db2.gz IGJRFLLDSZJRAG-HNNXBMFYSA-N 0 0 402.498 4.757 50 0 HJAARN Cc1cccc(C)c1NC(=O)CSc1ccc(-n2cnc(-c3ccccc3)c2)nn1 ZINC000049401207 568447792 /nfs/dbraw/zinc/44/77/92/568447792.db2.gz NCZNJEGYOKTKMF-UHFFFAOYSA-N 0 0 415.522 4.677 50 0 HJAARN O=C(Cn1c2ccccc2nc1-c1cscn1)N1CCC(Cc2ccccc2)CC1 ZINC000049574121 568452159 /nfs/dbraw/zinc/45/21/59/568452159.db2.gz OLELXSCAWSDIHF-UHFFFAOYSA-N 0 0 416.550 4.641 50 0 HJAARN Cc1c(C(=O)NCc2ccccn2)sc2ncnc(NCCC3=CCCCC3)c12 ZINC000012243028 568455590 /nfs/dbraw/zinc/45/55/90/568455590.db2.gz AMSBMYZTYKXWQL-UHFFFAOYSA-N 0 0 407.543 4.627 50 0 HJAARN COc1ccc(-c2nc(NC(=O)C[C@H](NC(C)=O)c3ccc(C)cc3)sc2C)cc1 ZINC000012263942 568456964 /nfs/dbraw/zinc/45/69/64/568456964.db2.gz JGWGZJYBNCKOPD-FQEVSTJZSA-N 0 0 423.538 4.642 50 0 HJAARN CCC(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(C)cc2)=NO1 ZINC000006695283 568457542 /nfs/dbraw/zinc/45/75/42/568457542.db2.gz OTAITAXGTBOBPQ-LJQANCHMSA-N 0 0 404.432 4.946 50 0 HJAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccccc2F)N1CCc1ccccc1 ZINC000006752876 568458499 /nfs/dbraw/zinc/45/84/99/568458499.db2.gz SJQAQESBFCCTGN-XMMPIXPASA-N 0 0 413.452 4.709 50 0 HJAARN CCOC(=O)c1oc2cc(OCc3csc(C)n3)ccc2c(=O)c1-c1ccccc1 ZINC000012296211 568462338 /nfs/dbraw/zinc/46/23/38/568462338.db2.gz ZWESKAKOHBBMQQ-UHFFFAOYSA-N 0 0 421.474 4.981 50 0 biogenic HJAARN COc1ccc(OC)c([C@@H]2CC(=O)c3c(C)cc4oc(=O)c5c(c4c3O2)CCCC5)c1 ZINC000012296761 568462357 /nfs/dbraw/zinc/46/23/57/568462357.db2.gz SIZNZQPZGBRDDU-FQEVSTJZSA-N 0 0 420.461 4.704 50 0 biogenic HJAARN CCCc1cc(=O)oc2cc(C)c3c(c12)O[C@H](c1ccc(OC)cc1OC)CC3=O ZINC000012296400 568462667 /nfs/dbraw/zinc/46/26/67/568462667.db2.gz OZMCKIQIRHEUTO-IBGZPJMESA-N 0 0 408.450 4.778 50 0 biogenic HJAARN CC1CCN(C(=O)Cc2ccc(NC(=O)N3CCCCc4ccccc43)cc2)CC1 ZINC000006916143 568463653 /nfs/dbraw/zinc/46/36/53/568463653.db2.gz ZFSVJDLTXHBTBB-UHFFFAOYSA-N 0 0 405.542 4.862 50 0 HJAARN COc1ccccc1[C@@H]1CC(c2ccc(C)cc2)=NN1S(=O)(=O)c1ccccc1 ZINC000000710114 568464717 /nfs/dbraw/zinc/46/47/17/568464717.db2.gz UDFONKSIVYGTHL-QFIPXVFZSA-N 0 0 406.507 4.544 50 0 HJAARN CCOc1cc(C(N)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000216835795 568468031 /nfs/dbraw/zinc/46/80/31/568468031.db2.gz SOMWRQYDWWXYPE-UHFFFAOYSA-N 0 0 419.102 4.833 50 0 HJAARN O=C(/C=C/c1ccccc1)Nc1ccc(N2CCCCC2)c(C(=O)N2CCCC2)c1 ZINC000000736796 568469996 /nfs/dbraw/zinc/46/99/96/568469996.db2.gz SFGZIFPPXAFPFK-SDNWHVSQSA-N 0 0 403.526 4.565 50 0 HJAARN COc1cc(NC(=O)c2sc(-c3c(F)cccc3OC)nc2C)cc(OC)c1 ZINC000012323187 568471228 /nfs/dbraw/zinc/47/12/28/568471228.db2.gz LGKVRIPLNCHNGG-UHFFFAOYSA-N 0 0 402.447 4.536 50 0 HJAARN c1ccc(Cn2c(SCCCc3nc(-c4ccccc4)no3)nnc2C2CC2)cc1 ZINC000007328965 568479010 /nfs/dbraw/zinc/47/90/10/568479010.db2.gz MTAHHHMEEIOKKU-UHFFFAOYSA-N 0 0 417.538 4.979 50 0 HJAARN Cc1cc(C)n(-c2ccc(COC(=O)/C=C/c3ccc(Br)o3)cc2)n1 ZINC000007813491 568485320 /nfs/dbraw/zinc/48/53/20/568485320.db2.gz DZYCLRLLMQAINM-CSKARUKUSA-N 0 0 401.260 4.601 50 0 HJAARN O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccccc1Br ZINC000024931026 568491448 /nfs/dbraw/zinc/49/14/48/568491448.db2.gz FHIJSVACZVCUBD-LJQANCHMSA-N 0 0 410.315 4.501 50 0 HJAARN CN(c1c(=O)[nH]c2ccccc2c1-c1ccccc1)S(=O)(=O)/C=C/c1ccccc1 ZINC000008156444 568491845 /nfs/dbraw/zinc/49/18/45/568491845.db2.gz IGKPUWIUWDGQFI-WUKNDPDISA-N 0 0 416.502 4.632 50 0 HJAARN O=C(Nc1nnc(CSCc2ccccc2)s1)c1ccc(Br)cc1 ZINC000000811258 568493319 /nfs/dbraw/zinc/49/33/19/568493319.db2.gz SZEGPMRCPJMBKH-UHFFFAOYSA-N 0 0 420.357 4.986 50 0 HJAARN CCc1ccccc1N(CC(=O)Nc1ccccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000000817102 568495545 /nfs/dbraw/zinc/49/55/45/568495545.db2.gz JHLMGBKPYKCEOP-UHFFFAOYSA-N 0 0 422.550 4.700 50 0 HJAARN Cc1cccc(NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1 ZINC000000821399 568498446 /nfs/dbraw/zinc/49/84/46/568498446.db2.gz AKXLJRRQKPNTDD-UHFFFAOYSA-N 0 0 422.550 4.830 50 0 HJAARN C[C@@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccccc1 ZINC000000825713 568498668 /nfs/dbraw/zinc/49/86/68/568498668.db2.gz WJJLJYVRHMKFPI-CJAUYULYSA-N 0 0 416.546 4.952 50 0 HJAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)OCc1cc(-c2cc3ccccc3o2)on1 ZINC000022769080 568499526 /nfs/dbraw/zinc/49/95/26/568499526.db2.gz JRLZMCXQYGFNCY-UHFFFAOYSA-N 0 0 400.390 4.804 50 0 HJAARN O=C(Nc1cccc2c1CCCC2)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000022834095 568499762 /nfs/dbraw/zinc/49/97/62/568499762.db2.gz MUHMYCPIIJZGTK-UHFFFAOYSA-N 0 0 406.507 4.619 50 0 HJAARN Cc1cc(C)nc(Sc2ccc(NC(=O)c3ccc(-n4cccn4)cc3)cc2)n1 ZINC000022890827 568500319 /nfs/dbraw/zinc/50/03/19/568500319.db2.gz MVFIRUJZGSPULX-UHFFFAOYSA-N 0 0 401.495 4.683 50 0 HJAARN COc1ccc(NC(=O)CSc2nc3ccc(NC(=O)C(C)C)cc3s2)cc1 ZINC000033000732 568510647 /nfs/dbraw/zinc/51/06/47/568510647.db2.gz ASNGSMJWAFMGLO-UHFFFAOYSA-N 0 0 415.540 4.630 50 0 HJAARN Cc1cccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCc3ccccc32)c1C ZINC000033127941 568511220 /nfs/dbraw/zinc/51/12/20/568511220.db2.gz YAJWXOKMTDESDT-QHCPKHFHSA-N 0 0 413.521 4.626 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)C1CCN(c2nccc3sccc32)CC1 ZINC000033172046 568511702 /nfs/dbraw/zinc/51/17/02/568511702.db2.gz HRECCRMEIPPYLM-UHFFFAOYSA-N 0 0 401.919 4.813 50 0 HJAARN CCn1c(CCc2ccc(NC(=O)CCn3nc(C)cc3C)cc2)nc2ccccc21 ZINC000033252627 568511964 /nfs/dbraw/zinc/51/19/64/568511964.db2.gz AKQAPUJOHGUFBW-UHFFFAOYSA-N 0 0 415.541 4.684 50 0 HJAARN Cc1cc(C)cc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c1 ZINC000000835252 568513430 /nfs/dbraw/zinc/51/34/30/568513430.db2.gz HIZHIPJOENKCDX-UHFFFAOYSA-N 0 0 408.523 4.522 50 0 HJAARN Cc1ccc(C(=O)N2CCC[C@@H](COc3cccc(C(=O)N4CCCCC4)c3)C2)cc1 ZINC000033311298 568513719 /nfs/dbraw/zinc/51/37/19/568513719.db2.gz OTRSHNJPLVAWOG-OAQYLSRUSA-N 0 0 420.553 4.552 50 0 HJAARN Cc1cc(C)cc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccc(F)cc2)c3=O)c1 ZINC000020102369 568587934 /nfs/dbraw/zinc/58/79/34/568587934.db2.gz JMQLWBDYKBLWDN-UHFFFAOYSA-N 0 0 419.481 4.683 50 0 HJAARN O=C(CSc1nc2ccccc2s1)N1CCC(Oc2ccncc2Cl)CC1 ZINC000390828294 568591585 /nfs/dbraw/zinc/59/15/85/568591585.db2.gz PWWOUCZBXJNVEG-UHFFFAOYSA-N 0 0 419.959 4.507 50 0 HJAARN COc1ccc(Cn2c(N)c(C(=O)NCc3ccccc3Cl)sc2=S)cc1 ZINC000094992822 568593469 /nfs/dbraw/zinc/59/34/69/568593469.db2.gz VRNXPVQDASYUGB-UHFFFAOYSA-N 0 0 419.959 4.502 50 0 HJAARN CC[C@H](C)NC(=O)[C@@H](C)[C@@H]1Sc2ccccc2N(Cc2cc(C)ccc2C)C1=O ZINC000020237557 568595754 /nfs/dbraw/zinc/59/57/54/568595754.db2.gz FFNLTCKLVOJFIY-SPEDKVCISA-N 0 0 410.583 4.862 50 0 HJAARN Cc1nn(CCC(=O)Nc2ccc(C)cc2)c(C)c1CCC(=O)Nc1ccc(C)cc1 ZINC000095348971 568600179 /nfs/dbraw/zinc/60/01/79/568600179.db2.gz KMZRCIQBFNCBNG-UHFFFAOYSA-N 0 0 418.541 4.717 50 0 HJAARN COc1ccc(CNc2c3ccccc3ncc2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020382530 568602579 /nfs/dbraw/zinc/60/25/79/568602579.db2.gz QXIHLXWMMUEEKF-UHFFFAOYSA-N 0 0 418.518 4.997 50 0 HJAARN C[C@]1(C(=O)NC2CCCCC2)Cc2ccccc2C(=O)N1CCc1ccc(Cl)cc1 ZINC000020387348 568603531 /nfs/dbraw/zinc/60/35/31/568603531.db2.gz HOUOVLTYYLWMQQ-RUZDIDTESA-N 0 0 424.972 4.789 50 0 HJAARN CC(C)[C@H](C(=O)N[C@H]1CCc2cc(Cl)ccc21)n1cnc2cc(F)c(F)cc21 ZINC000095392552 568604163 /nfs/dbraw/zinc/60/41/63/568604163.db2.gz YRYZMXDXGFUZNJ-FXAWDEMLSA-N 0 0 403.860 4.969 50 0 HJAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCc1csc(-c2ccccc2)n1 ZINC000095409572 568606745 /nfs/dbraw/zinc/60/67/45/568606745.db2.gz HXPOZTGPIVKPGF-UHFFFAOYSA-N 0 0 422.941 4.930 50 0 HJAARN CC(C)(C)c1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(C(C)(C)C)c1O ZINC000012381544 568607014 /nfs/dbraw/zinc/60/70/14/568607014.db2.gz UEXSGSCQCZPCNQ-UYRXBGFRSA-N 0 0 406.551 4.758 50 0 HJAARN COc1ccccc1-c1nn(CCC(=O)Nc2ccc(F)cc2)c2nc(C)cc(C)c12 ZINC000020437566 568607079 /nfs/dbraw/zinc/60/70/79/568607079.db2.gz UHIYPHDFKNBKLY-UHFFFAOYSA-N 0 0 418.472 4.892 50 0 HJAARN COc1ccccc1-c1nn(CCC(=O)N2C[C@H](C)C[C@H](C)C2)c2nc(C)cc(C)c12 ZINC000020437670 568607239 /nfs/dbraw/zinc/60/72/39/568607239.db2.gz DIVCZKZPMOEECO-CALCHBBNSA-N 0 0 420.557 4.618 50 0 HJAARN Cc1nn(CCCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c(=O)c2c3ccccc3sc21 ZINC000020467124 568610353 /nfs/dbraw/zinc/61/03/53/568610353.db2.gz BICXINLHFOZBFO-HDMKZQKVSA-N 0 0 411.571 4.641 50 0 HJAARN CCOc1ccc(-c2nc(CS(=O)(=O)Cc3cccc(Cl)c3)cs2)cc1 ZINC000040070128 568611741 /nfs/dbraw/zinc/61/17/41/568611741.db2.gz DIBDLVRAVHGXRL-UHFFFAOYSA-N 0 0 407.944 4.977 50 0 HJAARN CCOc1ccc(CCNC(=O)c2noc3c2CSc2ccccc2-3)cc1OCC ZINC000020484861 568612956 /nfs/dbraw/zinc/61/29/56/568612956.db2.gz BHLDRPORCLDIIQ-UHFFFAOYSA-N 0 0 424.522 4.717 50 0 HJAARN Cc1c(C(=O)NC2CCCC2)oc2c1-c1nn(Cc3ccccc3Cl)cc1CC2 ZINC000020490205 568614516 /nfs/dbraw/zinc/61/45/16/568614516.db2.gz VNLPHEONDCPTJM-UHFFFAOYSA-N 0 0 409.917 4.924 50 0 HJAARN C[C@H](NC(=O)c1cc(F)cc(F)c1)c1ccccc1NC(=O)c1cc(F)cc(F)c1 ZINC000095451277 568614538 /nfs/dbraw/zinc/61/45/38/568614538.db2.gz WHBNAVWAOFJPKQ-LBPRGKRZSA-N 0 0 416.374 4.986 50 0 HJAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N2CCC[C@@H](C)C2)[C@@H]1c1cccs1 ZINC000020508321 568620228 /nfs/dbraw/zinc/62/02/28/568620228.db2.gz CRLNUYRLVFEARY-WTNAPCKOSA-N 0 0 410.583 4.943 50 0 HJAARN CCc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c2cc3occc3n21 ZINC000020510791 568621297 /nfs/dbraw/zinc/62/12/97/568621297.db2.gz DIWDMSMSTAFOLU-UHFFFAOYSA-N 0 0 420.416 4.788 50 0 HJAARN O=C(CCN1c2cccnc2Sc2ccccc2C1=O)NCc1ccccc1Cl ZINC000020512080 568621964 /nfs/dbraw/zinc/62/19/64/568621964.db2.gz KEKPQLKJUUVJKZ-UHFFFAOYSA-N 0 0 423.925 4.553 50 0 HJAARN Cc1csc(CN(C)C(=O)[C@@H]2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)n1 ZINC000095465659 568623745 /nfs/dbraw/zinc/62/37/45/568623745.db2.gz CWJWWHNDQUAONR-LSDHHAIUSA-N 0 0 402.951 4.914 50 0 HJAARN C[C@H](NS(=O)(=O)c1ccccc1Br)c1ccc(C(F)(F)F)cc1 ZINC000028328411 568629767 /nfs/dbraw/zinc/62/97/67/568629767.db2.gz KQCZQZYIKZGDBX-JTQLQIEISA-N 0 0 408.239 4.507 50 0 HJAARN CC(C)n1[nH]c(=O)c2c1NC(=O)CS[C@@H]2c1ccc(OCCc2ccccc2)cc1 ZINC000095480328 568633132 /nfs/dbraw/zinc/63/31/32/568633132.db2.gz IWHAAMKBNPGHLO-OAQYLSRUSA-N 0 0 423.538 4.803 50 0 HJAARN COc1cccc([C@@H](NC(=O)c2ccnc(SC(C)(C)C)c2)c2ccccn2)c1 ZINC000225386600 568633374 /nfs/dbraw/zinc/63/33/74/568633374.db2.gz FQWNAOMHEHZJAG-OAQYLSRUSA-N 0 0 407.539 4.895 50 0 HJAARN COc1cccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)c1OC ZINC000095480671 568633415 /nfs/dbraw/zinc/63/34/15/568633415.db2.gz OOYQKAXJFIUUGH-FZKQIMNGSA-N 0 0 417.531 4.622 50 0 HJAARN CC(C)c1ccccc1O[C@H](C)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000095482331 568634518 /nfs/dbraw/zinc/63/45/18/568634518.db2.gz VFBMSFVXGCQXHR-OAHLLOKOSA-N 0 0 413.905 4.939 50 0 HJAARN CCc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(c2ccc(Br)cc2)C(=S)N1 ZINC000020642136 568638562 /nfs/dbraw/zinc/63/85/62/568638562.db2.gz BUMNPTAZOAWUQQ-VQIMIIECSA-N 0 0 403.345 4.946 50 0 HJAARN CC(=O)c1c[nH]c(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)c1 ZINC000007961909 568639577 /nfs/dbraw/zinc/63/95/77/568639577.db2.gz SUIJJMUBAFAAAY-GOSISDBHSA-N 0 0 405.885 4.914 50 0 HJAARN CC(=O)Nc1ccc(-n2c(/C=C\c3ccc(F)c(F)c3)nc3ccccc3c2=O)cc1 ZINC000020662607 568639594 /nfs/dbraw/zinc/63/95/94/568639594.db2.gz XFFWJUHAZDJMOK-QPEQYQDCSA-N 0 0 417.415 4.793 50 0 HJAARN Cc1ccc(Cn2c(=O)cc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c3ccccc32)cc1 ZINC000020681749 568640124 /nfs/dbraw/zinc/64/01/24/568640124.db2.gz YIKJOYWIZLYXQA-YCRNBWNJSA-N 0 0 402.538 4.913 50 0 HJAARN C[C@H](CCc1ccccc1)NC(=O)c1ccc(/C=C2\Oc3ccccc3NC2=O)cc1 ZINC000020729969 568640937 /nfs/dbraw/zinc/64/09/37/568640937.db2.gz SOESZVPMWFTCJP-YLPLVBRQSA-N 0 0 412.489 4.810 50 0 HJAARN CCOc1cccc2c1O[C@H](c1cc(OC)ccc1OC)N1N=C(c3ccco3)C[C@@H]21 ZINC000020738313 568641105 /nfs/dbraw/zinc/64/11/05/568641105.db2.gz QPALJGBVDIWHNM-YADARESESA-N 0 0 420.465 4.938 50 0 HJAARN COc1ccc(C(=O)N2N=C(c3cccs3)C[C@H]2c2ccccc2)c(OC)c1OC ZINC000225496901 568643506 /nfs/dbraw/zinc/64/35/06/568643506.db2.gz NLPZFYAONQZJNW-SFHVURJKSA-N 0 0 422.506 4.765 50 0 HJAARN Cc1ccc(N2CCN(c3nnc(Cc4cccnc4)c4ccccc43)C[C@H]2C)cc1 ZINC000020859925 568645979 /nfs/dbraw/zinc/64/59/79/568645979.db2.gz IMLATZNPIUZYGE-HXUWFJFHSA-N 0 0 409.537 4.639 50 0 HJAARN Cc1ccc2c(c1)[C@@H](Cc1nc3ccccc3c(=O)n1-c1ccc(Cl)cc1)C(=O)N2 ZINC000020868410 568647121 /nfs/dbraw/zinc/64/71/21/568647121.db2.gz KMRCKHYXDYRVRK-LJQANCHMSA-N 0 0 415.880 4.626 50 0 HJAARN CCN(CC)c1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(F)cc2)cc1 ZINC000020892818 568648176 /nfs/dbraw/zinc/64/81/76/568648176.db2.gz LDKHGTRHWFAEQG-QFIPXVFZSA-N 0 0 424.545 4.941 50 0 HJAARN CCOC(=O)CSc1nc2ccc(NC(=O)CCc3ccccc3)cc2s1 ZINC000020895292 568648766 /nfs/dbraw/zinc/64/87/66/568648766.db2.gz ZUPBDPQVPFRCFC-UHFFFAOYSA-N 0 0 400.525 4.523 50 0 HJAARN C=C1C(Nc2cc(OCC)ccc2OCC)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020900904 568649829 /nfs/dbraw/zinc/64/98/29/568649829.db2.gz XMHRZHZWHNFCRE-UHFFFAOYSA-N 0 0 414.527 4.686 50 0 HJAARN Cc1cccc(Cn2cc3c(=O)n(Cc4ccc(F)cc4)nc-3c3cc(F)ccc32)c1 ZINC000020936827 568652274 /nfs/dbraw/zinc/65/22/74/568652274.db2.gz KYXRGMBADSQAIQ-UHFFFAOYSA-N 0 0 415.443 4.986 50 0 HJAARN CC(C)CN(CC(C)C)C(=O)C1CCN(c2ccc(-c3cccs3)nn2)CC1 ZINC000020991836 568656096 /nfs/dbraw/zinc/65/60/96/568656096.db2.gz OLJPWHKIJQHDBA-UHFFFAOYSA-N 0 0 400.592 4.562 50 0 HJAARN COc1ccc(Cn2c(C)c(C[NH2+]CCc3cccc(C)c3)c(C(=O)[O-])c2C)cc1 ZINC000021024648 568658566 /nfs/dbraw/zinc/65/85/66/568658566.db2.gz PWEJSGBKISYOOF-UHFFFAOYSA-N 0 0 406.526 4.501 50 0 HJAARN COc1ccccc1[C@@H](CNC(=O)c1oc2c(ccc3ccccc23)c1C)N(C)C ZINC000007966232 568660550 /nfs/dbraw/zinc/66/05/50/568660550.db2.gz XEJGRBBGHGUZDB-OAQYLSRUSA-N 0 0 402.494 4.936 50 0 HJAARN C[C@H](c1ccccc1)N(CC(=O)Nc1cccc(C(=O)N(C)C)c1)c1ccccc1 ZINC000095945349 568663348 /nfs/dbraw/zinc/66/33/48/568663348.db2.gz BPGMCSXZZIIYAQ-LJQANCHMSA-N 0 0 401.510 4.595 50 0 HJAARN Cc1ccc(C)c2c(=O)cc(CSc3nnc(NC(=O)c4ccccc4)s3)[nH]c12 ZINC000021099271 568666030 /nfs/dbraw/zinc/66/60/30/568666030.db2.gz XFMZZXBRUTUCEI-UHFFFAOYSA-N 0 0 422.535 4.541 50 0 HJAARN C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000095951103 568667562 /nfs/dbraw/zinc/66/75/62/568667562.db2.gz NCUBPDQHVYNQMT-KRWDZBQOSA-N 0 0 415.493 4.610 50 0 HJAARN COc1cc(OC)c(Nc2c3[nH]cccc-3c(=O)n2Cc2ccccc2)cc1Cl ZINC000021107305 568667610 /nfs/dbraw/zinc/66/76/10/568667610.db2.gz BOOHGENBORBMEB-NRFANRHFSA-N 0 0 409.873 4.519 50 0 HJAARN CCCN1c2ccccc2S(=O)(=O)N=C1SCc1cccc(C(F)(F)F)c1 ZINC000021117381 568669217 /nfs/dbraw/zinc/66/92/17/568669217.db2.gz YNJYJCGHTAPOIM-UHFFFAOYSA-N 0 0 414.474 4.914 50 0 HJAARN CC[C@@H](C)NC(=O)C1CCN(c2nc3ccccc3n2Cc2cc(C)ccc2C)CC1 ZINC000021159574 568674503 /nfs/dbraw/zinc/67/45/03/568674503.db2.gz SFIGMQCABAKRGX-HXUWFJFHSA-N 0 0 418.585 4.833 50 0 HJAARN Cc1nn(C(C)(C)C)c2nc(C)c(CCC(=O)N[C@@H](C)CCc3ccco3)c(C)c12 ZINC000021167562 568675092 /nfs/dbraw/zinc/67/50/92/568675092.db2.gz SEUMPYNGPYDYSJ-HNNXBMFYSA-N 0 0 410.562 4.775 50 0 HJAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CC(=O)N2c2ccccc2C)cc1 ZINC000021168273 568675849 /nfs/dbraw/zinc/67/58/49/568675849.db2.gz ZNAPZLNMKPACRB-RUZDIDTESA-N 0 0 403.478 4.700 50 0 HJAARN C[C@@]1(C(=O)Nc2ccc(N3CCCCC3)cc2)CCCCN1C(=O)c1ccccc1 ZINC000096006672 568682879 /nfs/dbraw/zinc/68/28/79/568682879.db2.gz DMRSJGQRTISHAA-VWLOTQADSA-N 0 0 405.542 4.700 50 0 HJAARN Cc1nn(CC(=O)Nc2nc(-c3ccc(C(C)C)cc3)cs2)c(=O)c2ccccc12 ZINC000021303982 568687279 /nfs/dbraw/zinc/68/72/79/568687279.db2.gz FLYKQQGTGMOZRG-UHFFFAOYSA-N 0 0 418.522 4.591 50 0 HJAARN CCCOc1ccc(/C=C\C(=O)N(CCC)[C@@H](C)C(=O)Nc2ccccc2)cc1OC ZINC000096035635 568687298 /nfs/dbraw/zinc/68/72/98/568687298.db2.gz CPKCNGZYDDZKEU-ZDRDQBANSA-N 0 0 424.541 4.763 50 0 HJAARN COCCN1c2ccc(NC(=O)c3ccsc3)cc2Sc2ccccc2C1=O ZINC000021355280 568688343 /nfs/dbraw/zinc/68/83/43/568688343.db2.gz OLOBZWKJXCWODT-UHFFFAOYSA-N 0 0 410.520 4.758 50 0 HJAARN Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 ZINC000021358886 568689828 /nfs/dbraw/zinc/68/98/28/568689828.db2.gz CYMBAPMZIITKNA-UHFFFAOYSA-N 0 0 409.442 4.652 50 0 HJAARN O=C(Nc1ccccc1)Nc1cccc(-c2nnc(Cc3ccc4c(c3)OCO4)o2)c1 ZINC000021358914 568689947 /nfs/dbraw/zinc/68/99/47/568689947.db2.gz UUOYQKNDSRCXPU-UHFFFAOYSA-N 0 0 414.421 4.700 50 0 HJAARN O=C(NCCn1ccc(-c2cccs2)n1)C1c2ccccc2Oc2ccccc21 ZINC000096103853 568692156 /nfs/dbraw/zinc/69/21/56/568692156.db2.gz WYMLQGHQTYUAGB-UHFFFAOYSA-N 0 0 401.491 4.666 50 0 HJAARN Cc1c(C)n(C(C)C)c(NC(=O)c2ccccc2)c1S(=O)(=O)c1ccc(F)cc1 ZINC000012389974 568693568 /nfs/dbraw/zinc/69/35/68/568693568.db2.gz JIKXHKNYNLREFF-UHFFFAOYSA-N 0 0 414.502 4.910 50 0 HJAARN O=c1c2ccc[nH]c-2c(Nc2ccc(Br)cc2)n1Cc1ccc(F)cc1 ZINC000021104612 568694319 /nfs/dbraw/zinc/69/43/19/568694319.db2.gz PXQIZQRWGWEOOK-LJQANCHMSA-N 0 0 412.262 4.750 50 0 HJAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2c(F)cccc2Cl)S1 ZINC000096117880 568697504 /nfs/dbraw/zinc/69/75/04/568697504.db2.gz OOESTUNTUQANCJ-ZBEGNZNMSA-N 0 0 409.914 4.985 50 0 HJAARN CCOC(=O)/C=C\c1ccc(NC(=O)N2CCC[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000096130058 568701901 /nfs/dbraw/zinc/70/19/01/568701901.db2.gz ZNNDXNBQTOPXRD-GUSDMMFLSA-N 0 0 424.497 4.649 50 0 HJAARN COC(=O)c1ccc(CSc2nnc(-c3cccc(OC)c3)n2-c2ccccc2)o1 ZINC000021457458 568702444 /nfs/dbraw/zinc/70/24/44/568702444.db2.gz HABKBKDGPBFKQK-UHFFFAOYSA-N 0 0 421.478 4.615 50 0 HJAARN COc1ccc(NC(=O)COc2ccc3occ(C(=O)c4ccccc4)c3c2)cc1 ZINC000096184208 568703320 /nfs/dbraw/zinc/70/33/20/568703320.db2.gz AMECGONGRKZCDL-UHFFFAOYSA-N 0 0 401.418 4.690 50 0 HJAARN COc1cccc(NC(=O)COc2ccc3occ(C(=O)c4ccccc4)c3c2)c1 ZINC000096184210 568703352 /nfs/dbraw/zinc/70/33/52/568703352.db2.gz VLEHURPKIBAAJU-UHFFFAOYSA-N 0 0 401.418 4.690 50 0 HJAARN COCCn1ccc2ccc(C(=O)N[C@@H]3CCCc4c5cc(OC)ccc5[nH]c43)cc21 ZINC000096220928 568704979 /nfs/dbraw/zinc/70/49/79/568704979.db2.gz AEVRZMAHBWJPRW-JOCHJYFZSA-N 0 0 417.509 4.585 50 0 biogenic HJAARN COc1ccc2c(ccn2CCC(=O)N[C@@H]2CCCc3c4cc(OC)ccc4[nH]c32)c1 ZINC000096221378 568705197 /nfs/dbraw/zinc/70/51/97/568705197.db2.gz BFRLXWXWQDKSCX-JOCHJYFZSA-N 0 0 417.509 4.724 50 0 biogenic HJAARN O=C(COc1cccc(C(F)(F)F)c1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000000848385 568711017 /nfs/dbraw/zinc/71/10/17/568711017.db2.gz DLZIOTKLKOAGRP-UHFFFAOYSA-N 0 0 410.392 4.909 50 0 HJAARN CCOc1ccccc1CNC(=O)c1cnc2c(-c3cccc(C)c3)c(C)nn2c1C ZINC000021537905 568712926 /nfs/dbraw/zinc/71/29/26/568712926.db2.gz CRFBMSYIVXYWCV-UHFFFAOYSA-N 0 0 414.509 4.650 50 0 HJAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1ccccc1Cl ZINC000000860562 568714355 /nfs/dbraw/zinc/71/43/55/568714355.db2.gz VMFJADCMPSBSSX-UHFFFAOYSA-N 0 0 421.913 4.714 50 0 HJAARN Cc1ccc(-c2noc(CCN(C(=O)COc3ccc(Cl)cc3)C(C)C)n2)cc1 ZINC000096279018 568717199 /nfs/dbraw/zinc/71/71/99/568717199.db2.gz CAZDLJOHFUSKSY-UHFFFAOYSA-N 0 0 413.905 4.557 50 0 HJAARN O=C(COc1ccccc1)Nc1ccc([C@H]2SCC(=O)N2c2cccc(F)c2)cc1 ZINC000096280192 568717663 /nfs/dbraw/zinc/71/76/63/568717663.db2.gz XUWJAOGMSGJYMC-HSZRJFAPSA-N 0 0 422.481 4.622 50 0 HJAARN Cc1oc(-c2ccc(Cl)cc2)nc1COC(=O)c1nnn(-c2ccc(C)cc2)c1C ZINC000012415667 568717812 /nfs/dbraw/zinc/71/78/12/568717812.db2.gz PGQSXRNWCPUPIF-UHFFFAOYSA-N 0 0 422.872 4.858 50 0 HJAARN CCCCN1c2ccc(NC(=O)C3CCCC3)cc2S(=O)(=O)N=C1CC(C)C ZINC000096288434 568719419 /nfs/dbraw/zinc/71/94/19/568719419.db2.gz SHEYDUXPUPRDOP-UHFFFAOYSA-N 0 0 405.564 4.569 50 0 HJAARN CCCNC(=O)CCn1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000096290512 568720404 /nfs/dbraw/zinc/72/04/04/568720404.db2.gz PUVLRTSLGBCELG-UHFFFAOYSA-N 0 0 408.304 4.989 50 0 HJAARN COc1ccc(-c2noc(CCN(C(=O)c3cccc(F)c3)C3CCCCC3)n2)cc1 ZINC000096291910 568720885 /nfs/dbraw/zinc/72/08/85/568720885.db2.gz UYJGRDGCRCYFRH-UHFFFAOYSA-N 0 0 423.488 4.902 50 0 HJAARN O=C(NCc1ccccc1)c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F ZINC000000866026 568723193 /nfs/dbraw/zinc/72/31/93/568723193.db2.gz XIWGMBNNSMJNOY-QZTJIDSGSA-N 0 0 418.394 4.613 50 0 HJAARN O=C(NCc1cccs1)c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F ZINC000000866038 568723408 /nfs/dbraw/zinc/72/34/08/568723408.db2.gz BMVFJJVQORPHOM-CVEARBPZSA-N 0 0 424.423 4.674 50 0 HJAARN CC[C@H](C)c1nc(C)c(Cc2ccc(C)cc2)c(N2CCN(C(=O)C3CCC3)CC2)n1 ZINC000096317299 568726546 /nfs/dbraw/zinc/72/65/46/568726546.db2.gz XWHAOEKPMXSEFV-IBGZPJMESA-N 0 0 420.601 4.646 50 0 HJAARN CCc1ccc2oc(C(=O)Nc3ccc(Oc4ccccc4Cl)cc3)c(C)c2c1 ZINC000238923881 568727316 /nfs/dbraw/zinc/72/73/16/568727316.db2.gz PZDKRPVZEFZKQD-UHFFFAOYSA-N 0 0 405.881 7.002 50 0 HJAARN Fc1ccc(Nc2ncc3c(n2)CCN(Cc2cccc(Br)c2)C3)cc1 ZINC000021639717 568727492 /nfs/dbraw/zinc/72/74/92/568727492.db2.gz IQQJNEUJHZYRFT-UHFFFAOYSA-N 0 0 413.294 4.680 50 0 HJAARN Brc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccccc2)cc1 ZINC000239347145 568729029 /nfs/dbraw/zinc/72/90/29/568729029.db2.gz METDTICNCWBEDZ-IRLDBZIGSA-N 0 0 405.295 5.691 50 0 HJAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3C(=O)c2ccc(Cl)cc2)cc1 ZINC000239425727 568729431 /nfs/dbraw/zinc/72/94/31/568729431.db2.gz VCSXMDDEIJBENF-URXFXBBRSA-N 0 0 402.881 5.401 50 0 HJAARN Cc1sc(C(=O)N(C)C2CCN(c3ccccc3)CC2)cc1-c1ccc(F)cc1 ZINC000239672722 568729843 /nfs/dbraw/zinc/72/98/43/568729843.db2.gz BUUCXELOORINOG-UHFFFAOYSA-N 0 0 408.542 5.604 50 0 HJAARN COc1ccc(C(=O)Nc2ccc3c(c2)Sc2ccccc2C(=O)N3C)cc1OC ZINC000021653077 568730512 /nfs/dbraw/zinc/73/05/12/568730512.db2.gz JETDRUOKVXRTJN-UHFFFAOYSA-N 0 0 420.490 4.697 50 0 HJAARN O=S(=O)(Cc1ccc(-c2nc(-c3ccc(F)cc3)no2)o1)c1ccc(Cl)cc1 ZINC000096322695 568730709 /nfs/dbraw/zinc/73/07/09/568730709.db2.gz JNYJVUAGHQYSCT-UHFFFAOYSA-N 0 0 418.833 4.763 50 0 HJAARN Cc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4cccs4)no3)o2)cc1C ZINC000096322717 568730771 /nfs/dbraw/zinc/73/07/71/568730771.db2.gz RABUHOAXCCRMKJ-UHFFFAOYSA-N 0 0 400.481 4.649 50 0 HJAARN Cc1cccc(-c2noc(-c3ccc(CS(=O)(=O)Cc4ccccc4C)o3)n2)c1 ZINC000096322749 568730921 /nfs/dbraw/zinc/73/09/21/568730921.db2.gz RQCMTOGABFJKNF-UHFFFAOYSA-N 0 0 408.479 4.728 50 0 HJAARN O=C(C[C@H]1COc2ccc(Cl)cc2N1Cc1ccc(F)cc1)Nc1nccs1 ZINC000096323051 568731460 /nfs/dbraw/zinc/73/14/60/568731460.db2.gz ZOGZWAXYRGCOPO-INIZCTEOSA-N 0 0 417.893 4.732 50 0 HJAARN COC(=O)c1sc(N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)nc1Cl ZINC000241946731 568732108 /nfs/dbraw/zinc/73/21/08/568732108.db2.gz UNLJLFFNASQVSU-JOYOIKCWSA-N 0 0 420.840 4.568 50 0 HJAARN Cc1cc(C(=O)Nc2cc(N3CCNC3=O)ccc2F)sc1-c1ccc(F)cc1 ZINC000242048171 568732245 /nfs/dbraw/zinc/73/22/45/568732245.db2.gz VTKWFYQAMIUVOH-UHFFFAOYSA-N 0 0 413.449 4.784 50 0 HJAARN Cc1cccc(NC(=O)N2CCc3c(sc4nc(-c5ccccc5)nn34)C2)c1C ZINC000096323886 568732936 /nfs/dbraw/zinc/73/29/36/568732936.db2.gz KVKMXALMNJAYSK-UHFFFAOYSA-N 0 0 403.511 4.665 50 0 HJAARN Cc1ccc(-c2nc3sc4c(n3n2)CCN(C(=O)Nc2ccc(C)c(C)c2)C4)cc1 ZINC000096323844 568732961 /nfs/dbraw/zinc/73/29/61/568732961.db2.gz XGZOPEPQXQJROH-UHFFFAOYSA-N 0 0 417.538 4.973 50 0 HJAARN Cc1ccc(-n2c(SCC(=O)OC3CCCCC3)nnc2-c2cccnc2)cc1 ZINC000000875821 568733006 /nfs/dbraw/zinc/73/30/06/568733006.db2.gz KBUMFPCOMNTFPK-UHFFFAOYSA-N 0 0 408.527 4.606 50 0 HJAARN COc1ccc(N(C(=O)c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000005795898 568734209 /nfs/dbraw/zinc/73/42/09/568734209.db2.gz IBHXTECTGVJNBM-UHFFFAOYSA-N 0 0 415.898 4.693 50 0 HJAARN COc1ccc(-c2cc(-c3ccccc3)nc(NC(=O)CNc3ccccc3)n2)cc1 ZINC000021659339 568735203 /nfs/dbraw/zinc/73/52/03/568735203.db2.gz PNZSMVFXZVGKHU-UHFFFAOYSA-N 0 0 410.477 4.870 50 0 HJAARN Cc1cccc(OCc2nc3ccccc3n2C[C@H](O)COc2cc(C)ccc2C)c1 ZINC000021659912 568735318 /nfs/dbraw/zinc/73/53/18/568735318.db2.gz AMTQGMHXYBZYOG-NRFANRHFSA-N 0 0 416.521 4.980 50 0 HJAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(Cl)cc3)sc2c1 ZINC000021660611 568735587 /nfs/dbraw/zinc/73/55/87/568735587.db2.gz WKMZJXSPBORGDV-OAHLLOKOSA-N 0 0 424.913 4.927 50 0 HJAARN Cc1nn(-c2nc3ccccc3o2)c2c1[C@@H](c1cccc(C(F)(F)F)c1)CC(=O)N2 ZINC000021660920 568735750 /nfs/dbraw/zinc/73/57/50/568735750.db2.gz IVZWOSLKKVOINA-CQSZACIVSA-N 0 0 412.371 4.815 50 0 HJAARN COc1ccc(CCNC(=O)c2ccccc2NC(=O)Cc2ccccc2Cl)cc1 ZINC000025047628 568737211 /nfs/dbraw/zinc/73/72/11/568737211.db2.gz YIPRFEULNMPXHA-UHFFFAOYSA-N 0 0 422.912 4.502 50 0 HJAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccccc2)C12CCCCC2 ZINC000096344391 568737282 /nfs/dbraw/zinc/73/72/82/568737282.db2.gz XQROBEBGAIZDJV-DEOSSOPVSA-N 0 0 418.581 4.944 50 0 HJAARN CCOc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)CC(=O)N3Cc2ccccc2)cc1 ZINC000096386243 568742676 /nfs/dbraw/zinc/74/26/76/568742676.db2.gz UJGYIGFLPCDBBI-GOSISDBHSA-N 0 0 414.505 4.666 50 0 HJAARN COc1ccc(Br)cc1-c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 ZINC000018941312 568743154 /nfs/dbraw/zinc/74/31/54/568743154.db2.gz QZHFOUBIXFDGPM-UHFFFAOYSA-N 0 0 424.341 4.652 50 0 HJAARN COc1cccc(-c2cc(C3CCN(C(=O)Nc4ccc(F)cc4F)CC3)[nH]n2)c1 ZINC000096386821 568743548 /nfs/dbraw/zinc/74/35/48/568743548.db2.gz YWAMJSKDESTXOM-UHFFFAOYSA-N 0 0 412.440 4.775 50 0 HJAARN CCOC(=O)c1c(NC(=O)c2cccc(Br)c2)sc2c1CCCC2 ZINC000000971118 568759191 /nfs/dbraw/zinc/75/91/91/568759191.db2.gz BOPSONQRRCGRNK-UHFFFAOYSA-N 0 0 408.317 4.818 50 0 HJAARN CCOc1ccc(S(=O)(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1 ZINC000021711485 568748337 /nfs/dbraw/zinc/74/83/37/568748337.db2.gz ROHPDDITRADKHL-UHFFFAOYSA-N 0 0 421.478 4.603 50 0 HJAARN CCOc1ccccc1C(=O)Nc1cc(-c2cc3c(cccc3OC)n2CC)[nH]n1 ZINC000096400304 568749692 /nfs/dbraw/zinc/74/96/92/568749692.db2.gz OZWDDMUTYISOSD-UHFFFAOYSA-N 0 0 404.470 4.711 50 0 HJAARN NC(=O)c1cccc(CCNC(=O)/C=C\c2ccc(-c3ccccc3Cl)s2)c1 ZINC000096403152 568750441 /nfs/dbraw/zinc/75/04/41/568750441.db2.gz BTTOBAMOBZCLNG-LUAWRHEFSA-N 0 0 410.926 4.540 50 0 HJAARN Cc1ccc(F)cc1NC(=O)CCc1nc(CSc2nc3ccccc3o2)no1 ZINC000021721724 568750789 /nfs/dbraw/zinc/75/07/89/568750789.db2.gz XKHYFPXUXIWLTE-UHFFFAOYSA-N 0 0 412.446 4.522 50 0 HJAARN Cc1ccc(-c2nc(CN3CCC[C@@H](C(=O)Nc4cc(C)cc(C)c4)C3)no2)cc1 ZINC000021724866 568751529 /nfs/dbraw/zinc/75/15/29/568751529.db2.gz HGVWMLIRXSPGSL-HXUWFJFHSA-N 0 0 404.514 4.513 50 0 HJAARN O=C1C(Cl)=C(Nc2cccc(O)c2)C(=O)N1c1cc(Cl)c(Cl)cc1Cl ZINC000000938218 568752239 /nfs/dbraw/zinc/75/22/39/568752239.db2.gz OUOPGBDTSQGDGI-UHFFFAOYSA-N 0 0 418.063 4.788 50 0 HJAARN O=C(NC1CCCCC1)c1nn(-c2ccccn2)c2nccc(-c3cccs3)c12 ZINC000025142607 568752428 /nfs/dbraw/zinc/75/24/28/568752428.db2.gz RQOCHMWBNXMMOQ-UHFFFAOYSA-N 0 0 403.511 4.607 50 0 HJAARN COc1cccc(C(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)n3)cc2)c1 ZINC000021794310 568753406 /nfs/dbraw/zinc/75/34/06/568753406.db2.gz ICZUSIPGLSMRQR-UHFFFAOYSA-N 0 0 417.513 4.780 50 0 HJAARN Cc1ccccc1N1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000021811247 568754590 /nfs/dbraw/zinc/75/45/90/568754590.db2.gz WAFXSUWOEMBXPU-BXZDMCNWSA-N 0 0 419.525 4.657 50 0 HJAARN CC[C@H](C(=O)N(Cc1nc2nc(C)cc(C)n2n1)c1ccc(C)cc1)c1ccccc1 ZINC000086066070 568755626 /nfs/dbraw/zinc/75/56/26/568755626.db2.gz GQFKQPQJYUUEBW-QFIPXVFZSA-N 0 0 413.525 4.777 50 0 HJAARN CC1CCC(NC(=O)[C@]2(C)Cn3c(-c4ccco4)ccc3C(=O)N2C2CCCC2)CC1 ZINC000021863564 568755724 /nfs/dbraw/zinc/75/57/24/568755724.db2.gz JYSXEACPQFZMFB-KRFIBBNCSA-N 0 0 423.557 4.600 50 0 HJAARN Cc1ccc(C(=O)N(Cc2nc3nc(C)cc(C)n3n2)c2cccc(Cl)c2)cc1 ZINC000086066423 568755780 /nfs/dbraw/zinc/75/57/80/568755780.db2.gz WIANYZDOCSUQDV-UHFFFAOYSA-N 0 0 405.889 4.550 50 0 HJAARN CCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2ccc(F)cc2C)C1 ZINC000086077548 568756325 /nfs/dbraw/zinc/75/63/25/568756325.db2.gz ZHTMCSUVMYFAKI-KRWDZBQOSA-N 0 0 422.504 4.721 50 0 HJAARN CCOC(=O)c1c(NC(=S)NC(=O)C(C)(C)C)sc(C)c1-c1ccccc1 ZINC000000950459 568756877 /nfs/dbraw/zinc/75/68/77/568756877.db2.gz QTHXDXVYOSLPQK-UHFFFAOYSA-N 0 0 404.557 4.759 50 0 HJAARN CCCNC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1ccc(OC)c(OC)c1 ZINC000021892657 568759608 /nfs/dbraw/zinc/75/96/08/568759608.db2.gz ZQHKPPWOEJPXOU-HSZRJFAPSA-N 0 0 405.498 4.519 50 0 HJAARN COC(=O)c1cc(C(=O)c2ccccc2)n2c3ccccc3n(Cc3ccccc3)c12 ZINC000000968572 568759689 /nfs/dbraw/zinc/75/96/89/568759689.db2.gz KKDDUCCWZMABBP-UHFFFAOYSA-N 0 0 408.457 4.960 50 0 HJAARN COc1cc(C=C2SC(=O)NC2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000000987367 568760681 /nfs/dbraw/zinc/76/06/81/568760681.db2.gz KHJRKAAOXAPAJU-FRKPEAEDSA-N 0 0 410.278 4.905 50 0 HJAARN O=c1c2cc(Cl)ccc2nc(-c2cccnc2)n1-c1ccc(Br)cc1 ZINC000096568897 568760941 /nfs/dbraw/zinc/76/09/41/568760941.db2.gz ORXKAFNIXUJRIT-UHFFFAOYSA-N 0 0 412.674 4.864 50 0 HJAARN CC1(C)Nc2ccccc2N(CCC(=O)N(Cc2ccccc2)c2ccccc2)C1=O ZINC000096576700 568761323 /nfs/dbraw/zinc/76/13/23/568761323.db2.gz NFSHUNALSFFFQI-UHFFFAOYSA-N 0 0 413.521 4.847 50 0 HJAARN COc1cc(C(=O)N2N=C(c3cccs3)C[C@@H]2c2ccccc2)cc(OC)c1OC ZINC000000991462 568761482 /nfs/dbraw/zinc/76/14/82/568761482.db2.gz YIEPLISPTRCYDR-GOSISDBHSA-N 0 0 422.506 4.765 50 0 HJAARN COc1ccc(CNC(=O)c2cc(-c3ccccn3)nc3ccc(C)cc32)c(OC)c1 ZINC000021934468 568761917 /nfs/dbraw/zinc/76/19/17/568761917.db2.gz YMTGSVVOXUPLEY-UHFFFAOYSA-N 0 0 413.477 4.552 50 0 HJAARN O=C(NCc1cccc(Br)c1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000021934530 568761986 /nfs/dbraw/zinc/76/19/86/568761986.db2.gz IKQJMQHPJPOFIH-UHFFFAOYSA-N 0 0 418.294 4.989 50 0 HJAARN C[C@H](SC(=S)N1CCCC1)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000022160002 568764959 /nfs/dbraw/zinc/76/49/59/568764959.db2.gz WIOGBZXJKSXDER-JTQLQIEISA-N 0 0 407.611 4.888 50 0 HJAARN COc1ccc(-c2cc(C3N=NC(=S)N3c3ccccc3C(F)(F)F)[nH]n2)cc1 ZINC000001072061 568765667 /nfs/dbraw/zinc/76/56/67/568765667.db2.gz FQRXZPVTIWRBOW-UHFFFAOYSA-N 0 0 417.416 4.641 50 0 HJAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1 ZINC000001067929 568766698 /nfs/dbraw/zinc/76/66/98/568766698.db2.gz XEWAHHSBYZXNNM-CYBMUJFWSA-N 0 0 423.918 4.804 50 0 HJAARN O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(OC(F)(F)Cl)cc1 ZINC000001069748 568766934 /nfs/dbraw/zinc/76/69/34/568766934.db2.gz BTGVCLFBSCEMGE-UHFFFAOYSA-N 0 0 402.784 4.607 50 0 HJAARN O=C(c1cccs1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc2c(c1)OCO2 ZINC000001084939 568768046 /nfs/dbraw/zinc/76/80/46/568768046.db2.gz LCWFYSLKYMSEDJ-JOCHJYFZSA-N 0 0 402.475 4.746 50 0 HJAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCCCCC4)cc3N2)cc1 ZINC000002474741 568773793 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COc1ccccc1CNC(=O)CSc1ncnc2sc(-c3ccccc3)cc21 ZINC000002621519 568787765 /nfs/dbraw/zinc/78/77/65/568787765.db2.gz PLORYDBLNCEKHO-UHFFFAOYSA-N 0 0 421.547 4.775 50 0 HJAARN CC[C@H](C)NC(=O)CSc1nnc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)n1 ZINC000002621141 568787806 /nfs/dbraw/zinc/78/78/06/568787806.db2.gz GFZYHPGOTUZNFY-KRWDZBQOSA-N 0 0 406.555 4.829 50 0 HJAARN COC(=O)c1ccc(COC(=O)c2ccccc2OCc2ccccc2Cl)o1 ZINC000002635265 568791813 /nfs/dbraw/zinc/79/18/13/568791813.db2.gz DYIBDXRJAOYXMC-UHFFFAOYSA-N 0 0 400.814 4.656 50 0 HJAARN O=C1CCCC[C@H]1Sc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3 ZINC000002639396 568793021 /nfs/dbraw/zinc/79/30/21/568793021.db2.gz WANSGJRJCHNYJJ-LJQANCHMSA-N 0 0 424.591 4.793 50 0 HJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)/C=C/c1c(Cl)nc2sccn12 ZINC000002649182 568795673 /nfs/dbraw/zinc/79/56/73/568795673.db2.gz DPHSNMPULVTTSF-AATRIKPKSA-N 0 0 409.920 4.556 50 0 HJAARN O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)Nc1ccccc1 ZINC000002652478 568796666 /nfs/dbraw/zinc/79/66/66/568796666.db2.gz SEDHQPURQZPNPU-UHFFFAOYSA-N 0 0 406.536 4.786 50 0 HJAARN CC(C)(C)c1cc(NC(=O)CSc2ccc3c(c2)OCCO3)n(-c2ccccc2)n1 ZINC000002652939 568796886 /nfs/dbraw/zinc/79/68/86/568796886.db2.gz MYLGULVDEZLTPI-UHFFFAOYSA-N 0 0 423.538 4.672 50 0 HJAARN Cn1cccc1C(=O)O[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000002664093 568799920 /nfs/dbraw/zinc/79/99/20/568799920.db2.gz SVPWEKORSRBODY-SFHVURJKSA-N 0 0 402.372 4.581 50 0 HJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccccc1Cn1cccn1 ZINC000028692096 568802114 /nfs/dbraw/zinc/80/21/14/568802114.db2.gz CVCAEVKMDSIJOA-UHFFFAOYSA-N 0 0 424.863 4.617 50 0 HJAARN CCc1ccc2ncc(C(=O)c3ccccc3)c(S(=O)(=O)c3ccccc3)c2c1 ZINC000002715861 568802610 /nfs/dbraw/zinc/80/26/10/568802610.db2.gz BEDMYLFTPBVVLK-UHFFFAOYSA-N 0 0 401.487 4.861 50 0 HJAARN C[C@@H](Oc1ccccc1)C(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccccc1 ZINC000002724492 568803506 /nfs/dbraw/zinc/80/35/06/568803506.db2.gz FTEWNFJCYZNZPW-WAIKUNEKSA-N 0 0 420.896 4.678 50 0 HJAARN Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)c1ccc(OC(C)C)cc1)CC(=O)N2 ZINC000002724275 568803587 /nfs/dbraw/zinc/80/35/87/568803587.db2.gz PXYVVJYQFIDSAX-RUZDIDTESA-N 0 0 414.505 4.966 50 0 HJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000230067761 568805775 /nfs/dbraw/zinc/80/57/75/568805775.db2.gz UTTZDGLCMGGDLF-PWRODBHTSA-N 0 0 422.843 4.530 50 0 HJAARN CCc1c(C)sc2ncn3nc(CCn4nc(C(F)(F)F)cc4C4CC4)nc3c12 ZINC000002789883 568809136 /nfs/dbraw/zinc/80/91/36/568809136.db2.gz IMQKZEJHNBMZRR-UHFFFAOYSA-N 0 0 420.464 4.545 50 0 HJAARN C[C@H](c1nc2c3c4c(sc3ncn2n1)CCC4)n1nc(C(F)(F)F)cc1C1CC1 ZINC000002788843 568809178 /nfs/dbraw/zinc/80/91/78/568809178.db2.gz RILQZTVFCNUBTO-SECBINFHSA-N 0 0 418.448 4.530 50 0 HJAARN CCOc1ccc(Cc2nc3c4c5c(sc4ncn3n2)C[C@H](C)CC5)cc1OCC ZINC000002790328 568809609 /nfs/dbraw/zinc/80/96/09/568809609.db2.gz RZDSWEMPHKFALM-CQSZACIVSA-N 0 0 422.554 4.852 50 0 HJAARN O=C1O[C@@H](Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)c2ccccc21 ZINC000002797811 568810442 /nfs/dbraw/zinc/81/04/42/568810442.db2.gz OIKOJRJKWBKXCS-OAHLLOKOSA-N 0 0 421.293 4.850 50 0 HJAARN COc1cccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(C)cc2)c1 ZINC000002915228 568816310 /nfs/dbraw/zinc/81/63/10/568816310.db2.gz NJAZZHWKFVUXHE-LOSJGSFVSA-N 0 0 422.488 4.808 50 0 HJAARN FC(F)Oc1ccccc1[C@H]1C[C@@H](c2ccc(Br)cc2)Nc2ncnn21 ZINC000002918023 568816362 /nfs/dbraw/zinc/81/63/62/568816362.db2.gz SZXKPFSKBAPSFR-LSDHHAIUSA-N 0 0 421.245 4.788 50 0 HJAARN Cc1c(C(=O)NCc2ccc(F)cc2)sc2ncnc(N(C)c3ccccc3)c12 ZINC000002926871 568817619 /nfs/dbraw/zinc/81/76/19/568817619.db2.gz BIYOEAHUGDMUJK-UHFFFAOYSA-N 0 0 406.486 4.837 50 0 HJAARN COc1cccc(CNC(=O)CCn2c(C)c(C(C)=O)cc2-c2ccc(F)cc2)c1 ZINC000002929862 568818291 /nfs/dbraw/zinc/81/82/91/568818291.db2.gz CICYLSHKBLTEPA-UHFFFAOYSA-N 0 0 408.473 4.520 50 0 HJAARN CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2[C@@H](C)CC)cc1 ZINC000002932305 568818501 /nfs/dbraw/zinc/81/85/01/568818501.db2.gz DQFJPEGRMQITGO-ZDUSSCGKSA-N 0 0 401.557 4.722 50 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/nfs/dbraw/zinc/82/65/01/568826501.db2.gz KLNJTUYTGDBCKS-LJQANCHMSA-N 0 0 410.857 4.698 50 0 HJAARN Cc1oc2ccc(OS(=O)(=O)c3ccccc3)cc2c1C(=O)NC1CCCCC1 ZINC000005881627 568828021 /nfs/dbraw/zinc/82/80/21/568828021.db2.gz IEMZWRJMAUTXBB-UHFFFAOYSA-N 0 0 413.495 4.571 50 0 HJAARN COCCNC(=O)c1ccccc1NC(=O)c1csc(-c2ccc(C(C)C)cc2)n1 ZINC000029652508 568828498 /nfs/dbraw/zinc/82/84/98/568828498.db2.gz HFIGXFSCVNZIDW-UHFFFAOYSA-N 0 0 423.538 4.562 50 0 HJAARN CCCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3F)c(OC)c2)C1=O ZINC000005891214 568828593 /nfs/dbraw/zinc/82/85/93/568828593.db2.gz OSDSSIGLKQNHCI-XDHOZWIPSA-N 0 0 401.459 4.860 50 0 HJAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cc1 ZINC000005900246 568828822 /nfs/dbraw/zinc/82/88/22/568828822.db2.gz WQYSLLRYFZMCTP-UHFFFAOYSA-N 0 0 416.886 4.892 50 0 HJAARN CCOC(=O)CSc1nc2c3ccccc3sc2c(=O)n1CCc1ccccc1 ZINC000002961896 568830448 /nfs/dbraw/zinc/83/04/48/568830448.db2.gz KQHQERBBAQNFBA-UHFFFAOYSA-N 0 0 424.547 4.509 50 0 HJAARN 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COc1ccccc1OCC(=O)Nc1c2ccccc2oc1C(=O)c1ccccc1 ZINC000003655398 568866462 /nfs/dbraw/zinc/86/64/62/568866462.db2.gz DUQMDZHIDQDORF-UHFFFAOYSA-N 0 0 401.418 4.690 50 0 HJAARN CCCCOc1ccc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1 ZINC000003656285 568866852 /nfs/dbraw/zinc/86/68/52/568866852.db2.gz HEFOQVJTCGYFGC-UHFFFAOYSA-N 0 0 421.526 4.901 50 0 HJAARN Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)c4ccc(N)cc4)cc3)sc2c1 ZINC000003248406 568867431 /nfs/dbraw/zinc/86/74/31/568867431.db2.gz LAYQQKPYPAZWST-UHFFFAOYSA-N 0 0 417.490 4.649 50 0 HJAARN C[C@@H](NC(=O)C(=Cc1ccsc1)C(=O)N[C@H](C)c1ccccc1)c1ccccc1 ZINC000003262029 568869459 /nfs/dbraw/zinc/86/94/59/568869459.db2.gz OFNRXIYMEPLHSE-QZTJIDSGSA-N 0 0 404.535 4.886 50 0 HJAARN CCc1cccc(OCC(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)c1 ZINC000012599220 568869556 /nfs/dbraw/zinc/86/95/56/568869556.db2.gz MXNUHOIQSQTLJL-UHFFFAOYSA-N 0 0 403.404 4.530 50 0 HJAARN CCC(=O)N(c1nnc(SCCOc2cc(Cl)ccc2Cl)s1)C1CC1 ZINC000012599548 568869814 /nfs/dbraw/zinc/86/98/14/568869814.db2.gz DIOFQTLDDKWBBG-UHFFFAOYSA-N 0 0 418.371 4.921 50 0 HJAARN COc1ccc([C@H](NC(=O)c2oc3ccccc3c2CSC)c2nccn2C)cc1 ZINC000012602204 568870191 /nfs/dbraw/zinc/87/01/91/568870191.db2.gz XUMLEGJNVUNQOR-FQEVSTJZSA-N 0 0 421.522 4.557 50 0 HJAARN COC[C@@H](C)NC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1 ZINC000012609044 568871443 /nfs/dbraw/zinc/87/14/43/568871443.db2.gz LTFKBYPZHOBPRK-SNVBAGLBSA-N 0 0 412.342 4.526 50 0 HJAARN Cc1nc(-c2ccc(CNC(=O)c3ccc(F)cc3Br)cc2)cs1 ZINC000012614970 568872084 /nfs/dbraw/zinc/87/20/84/568872084.db2.gz KDAKNRYHVXSRNE-UHFFFAOYSA-N 0 0 405.292 4.950 50 0 HJAARN Cc1ccc(C)c(-n2nnnc2SCC(=O)c2ccc3c(c2)-c2ccccc2C3)c1 ZINC000003286995 568872563 /nfs/dbraw/zinc/87/25/63/568872563.db2.gz OSYDFZMGEORFLO-UHFFFAOYSA-N 0 0 412.518 4.825 50 0 HJAARN O=C(NC[C@@H]1Cc2cccc(-c3ccncc3)c2O1)[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000299767591 568873892 /nfs/dbraw/zinc/87/38/92/568873892.db2.gz IDRRUJVKXKBAHY-CVDCTZTESA-N 0 0 423.516 4.770 50 0 HJAARN COc1ccc(-c2nc(CSCC(=O)N(C)C3CCCCC3)cs2)cc1OC ZINC000058009953 568875439 /nfs/dbraw/zinc/87/54/39/568875439.db2.gz SXUXBBHTAVYZCO-UHFFFAOYSA-N 0 0 420.600 4.852 50 0 HJAARN Cc1noc(Cl)c1CCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000058011282 568875956 /nfs/dbraw/zinc/87/59/56/568875956.db2.gz CUZLRAUCQRHJPL-UHFFFAOYSA-N 0 0 420.900 4.738 50 0 HJAARN O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1cc(Cl)ccc1-n1cncn1 ZINC000015321537 568876865 /nfs/dbraw/zinc/87/68/65/568876865.db2.gz YNAPALIICZJMSW-UHFFFAOYSA-N 0 0 422.872 4.563 50 0 HJAARN Cc1cccc(-n2c(SCC(=O)NCC(C)C)nnc2-c2c[nH]c3ccccc32)c1 ZINC000003303861 568877186 /nfs/dbraw/zinc/87/71/86/568877186.db2.gz XZZLQWATDMWMPD-UHFFFAOYSA-N 0 0 419.554 4.588 50 0 HJAARN O=c1c2cc(Cl)cc(Cl)c2ncn1Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000012623018 568877572 /nfs/dbraw/zinc/87/75/72/568877572.db2.gz VIOMZHXSMWLPIR-UHFFFAOYSA-N 0 0 411.672 4.566 50 0 HJAARN Cc1noc(C)c1CSc1nnc(COc2ccccc2F)n1-c1ccccc1 ZINC000003308716 568877732 /nfs/dbraw/zinc/87/77/32/568877732.db2.gz HPEHNNYAIZZOCY-UHFFFAOYSA-N 0 0 410.474 4.883 50 0 HJAARN Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)n1C ZINC000003317926 568879688 /nfs/dbraw/zinc/87/96/88/568879688.db2.gz SDRKJWSPJDBAST-ZDUSSCGKSA-N 0 0 420.460 4.929 50 0 HJAARN O=c1sc2ccccc2n1Cc1nnc(SC2CCCC2)n1-c1ccccc1 ZINC000004062242 568881554 /nfs/dbraw/zinc/88/15/54/568881554.db2.gz QWCHINHEYCICLA-UHFFFAOYSA-N 0 0 408.552 4.727 50 0 HJAARN CCN(C(=O)COC(=O)c1cc(O)c2ccccc2c1O)c1cccc2ccccc21 ZINC000003331487 568882089 /nfs/dbraw/zinc/88/20/89/568882089.db2.gz RMCDEMKXJAHXNM-UHFFFAOYSA-N 0 0 415.445 4.614 50 0 HJAARN COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@H](COC(C)=O)[C@@H]2CCc1ccoc1C=O ZINC000004073404 568882416 /nfs/dbraw/zinc/88/24/16/568882416.db2.gz ZHHSQWXVDIXZCB-RFANRMBXSA-N 0 0 418.530 4.600 50 0 biogenic HJAARN CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000003336686 568883011 /nfs/dbraw/zinc/88/30/11/568883011.db2.gz KZJWFCFLJQZGSA-UHFFFAOYSA-N 0 0 401.862 4.713 50 0 HJAARN Cc1ccc(NC(=O)COC(=O)c2c3ccccc3nc3c2C[C@H](C)CC3)c(C)c1 ZINC000003347277 568884753 /nfs/dbraw/zinc/88/47/53/568884753.db2.gz SHQVGNOLRGAKNR-MRXNPFEDSA-N 0 0 402.494 4.772 50 0 HJAARN Cc1cccc(C)c1NC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000015391049 568884854 /nfs/dbraw/zinc/88/48/54/568884854.db2.gz VCUXRDWOVCOKNJ-SFHVURJKSA-N 0 0 420.962 4.529 50 0 HJAARN O=C(COc1ncnc2c(Cl)cc(Cl)cc12)Nc1ccccc1OC(F)F ZINC000003353060 568886103 /nfs/dbraw/zinc/88/61/03/568886103.db2.gz BMWCFIAEYGHBNT-UHFFFAOYSA-N 0 0 414.195 4.556 50 0 HJAARN CCOc1ccc(Oc2ccc(NC(=O)CSc3nnc4ccccn43)cc2)cc1 ZINC000003357562 568887208 /nfs/dbraw/zinc/88/72/08/568887208.db2.gz QOCYJHPJWIZIRB-UHFFFAOYSA-N 0 0 420.494 4.651 50 0 HJAARN O=C(Cc1ccc(Br)cc1)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 ZINC000003360683 568887929 /nfs/dbraw/zinc/88/79/29/568887929.db2.gz RWBDDJVXNTXYTO-UHFFFAOYSA-N 0 0 421.290 4.989 50 0 HJAARN Cc1ccc2c(COC(=O)c3ccccc3NCc3ccco3)cc(=O)oc2c1C ZINC000003364761 568889001 /nfs/dbraw/zinc/88/90/01/568889001.db2.gz ANIDGSKPLRMMJT-UHFFFAOYSA-N 0 0 403.434 4.972 50 0 HJAARN O=C(NCc1ccc(F)cc1)N1CCC(c2nc(-c3ccc(F)c(F)c3)c[nH]2)CC1 ZINC000058133292 568889918 /nfs/dbraw/zinc/88/99/18/568889918.db2.gz HDZRXLIXEAIBSL-UHFFFAOYSA-N 0 0 414.431 4.583 50 0 HJAARN COc1cc2c(cc1NC(=O)[C@@H]1CC(=O)N(c3ccc(C)cc3)C1)oc1ccccc12 ZINC000003372658 568890884 /nfs/dbraw/zinc/89/08/84/568890884.db2.gz PLRDMGLGKNHWLT-MRXNPFEDSA-N 0 0 414.461 4.895 50 0 HJAARN Cc1cc(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)c(C)n1C[C@H]1CCCO1 ZINC000003379089 568891950 /nfs/dbraw/zinc/89/19/50/568891950.db2.gz LMBSTQXUFIDKOE-HSZRJFAPSA-N 0 0 417.505 4.777 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)[C@@H](C)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000003384824 568893132 /nfs/dbraw/zinc/89/31/32/568893132.db2.gz IHYLSDNEOHHCAD-GFCCVEGCSA-N 0 0 400.828 4.826 50 0 HJAARN COc1cc(NC(=S)Nc2ccc(SC(F)F)cc2)cc(OC)c1OC ZINC000003414946 568898849 /nfs/dbraw/zinc/89/88/49/568898849.db2.gz PDEZVGUHVIJTRJ-UHFFFAOYSA-N 0 0 400.472 4.836 50 0 HJAARN CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc(I)cc1 ZINC000003437865 568902944 /nfs/dbraw/zinc/90/29/44/568902944.db2.gz SCOMGMAJEHWELR-UHFFFAOYSA-N 0 0 420.077 4.870 50 0 HJAARN CC[C@H](NC(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCCCC1)c1cccs1 ZINC000670444749 568906141 /nfs/dbraw/zinc/90/61/41/568906141.db2.gz YNYHLWKXHMOHAD-SFHVURJKSA-N 0 0 405.585 4.621 50 0 HJAARN CCC(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1cc2cc(OC)ccc2nc1Cl ZINC000001237083 568906490 /nfs/dbraw/zinc/90/64/90/568906490.db2.gz GZHFKXAQPYQDKL-OAQYLSRUSA-N 0 0 423.900 4.993 50 0 HJAARN CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)C[C@@H](C(C)C)OC3 ZINC000001250515 568908780 /nfs/dbraw/zinc/90/87/80/568908780.db2.gz HZDQYOCHDKNLSW-INIZCTEOSA-N 0 0 400.569 4.965 50 0 HJAARN COc1ccc2cc(CNC(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)ccc2c1 ZINC000031028770 568909234 /nfs/dbraw/zinc/90/92/34/568909234.db2.gz FNKAAWOJRCYGRU-UHFFFAOYSA-N 0 0 414.509 4.814 50 0 HJAARN CCSc1nnc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)s1 ZINC000003491766 568909548 /nfs/dbraw/zinc/90/95/48/568909548.db2.gz YZPIRKOLGDUYKF-UHFFFAOYSA-N 0 0 413.553 4.817 50 0 HJAARN O=c1oc2ccccc2cc1Sc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 ZINC000263615169 568909825 /nfs/dbraw/zinc/90/98/25/568909825.db2.gz AZKSZAPMIMZBFF-UHFFFAOYSA-N 0 0 416.433 4.782 50 0 HJAARN CC(C)Oc1ccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccc(F)cc3)OC4)n2)cc1 ZINC000263617949 568911650 /nfs/dbraw/zinc/91/16/50/568911650.db2.gz QPKLTSDGCYKOBC-OAQYLSRUSA-N 0 0 420.444 4.798 50 0 HJAARN Cc1c(C(=O)Nc2ccc(C)cc2C)sc2ncn(Cc3ccccc3F)c(=O)c12 ZINC000001308335 568913587 /nfs/dbraw/zinc/91/35/87/568913587.db2.gz IOLQWGRCALCEES-UHFFFAOYSA-N 0 0 421.497 4.823 50 0 HJAARN O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)c1ccc(Oc2ccccc2)cc1 ZINC000058394212 568916201 /nfs/dbraw/zinc/91/62/01/568916201.db2.gz OYIRKRKKWDHVBJ-UHFFFAOYSA-N 0 0 406.482 4.697 50 0 HJAARN O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)c1ccc(O)cc1O ZINC000012696899 568916682 /nfs/dbraw/zinc/91/66/82/568916682.db2.gz JBWDLBJFHADRBV-UHFFFAOYSA-N 0 0 418.883 4.991 50 0 HJAARN COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)NCCCOC(C)C)cc1 ZINC000012728461 568921100 /nfs/dbraw/zinc/92/11/00/568921100.db2.gz WISBOUKUSXPGLX-UHFFFAOYSA-N 0 0 412.505 4.847 50 0 HJAARN O=S(=O)(N[C@H]1CCCC[C@H]1Sc1nc2ccccc2o1)c1ccc(Cl)cc1 ZINC000003651247 568922632 /nfs/dbraw/zinc/92/26/32/568922632.db2.gz NKUWXLYFFBAEEK-FUHWJXTLSA-N 0 0 422.959 4.863 50 0 HJAARN CCc1ccc(CC)c(S(=O)(=O)Nc2cc3sc(=O)oc3c3ccccc23)c1 ZINC000003653699 568922762 /nfs/dbraw/zinc/92/27/62/568922762.db2.gz WCEMGBRUMFYHAA-UHFFFAOYSA-N 0 0 413.520 4.933 50 0 HJAARN O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H]1c1nc(-c2ccccc2Cl)no1 ZINC000001389907 568923447 /nfs/dbraw/zinc/92/34/47/568923447.db2.gz CMOXWDDZGQJGKH-INIZCTEOSA-N 0 0 424.309 4.569 50 0 HJAARN O=C(c1ccc(C(F)(F)F)cc1)c1nn(-c2ccccc2)c(=O)cc1C(F)(F)F ZINC000001389661 568923456 /nfs/dbraw/zinc/92/34/56/568923456.db2.gz UPINUVPEZKSAEV-UHFFFAOYSA-N 0 0 412.289 4.501 50 0 HJAARN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)COc1ccc2ccc(=O)oc2c1 ZINC000031335163 568924365 /nfs/dbraw/zinc/92/43/65/568924365.db2.gz YGQKRNACUZKGHC-GFCCVEGCSA-N 0 0 406.265 4.698 50 0 HJAARN COc1ccc(NC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)cc1 ZINC000001400785 568926848 /nfs/dbraw/zinc/92/68/48/568926848.db2.gz FPUUZWGZMOHEAJ-UHFFFAOYSA-N 0 0 403.507 4.976 50 0 HJAARN COc1ccc(-c2cc(NC(C)=O)n(-c3nc(-c4ccc(C)cc4)cs3)n2)cc1 ZINC000001405051 568927657 /nfs/dbraw/zinc/92/76/57/568927657.db2.gz XAPMMPFXOULLFL-UHFFFAOYSA-N 0 0 404.495 4.938 50 0 HJAARN C[C@H]1CCC[C@H](C)N1C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 ZINC000012742052 568929862 /nfs/dbraw/zinc/92/98/62/568929862.db2.gz LKMKZPAZZDWVKH-HOTGVXAUSA-N 0 0 420.962 4.568 50 0 HJAARN CC(C)c1ccc([C@@]2(C)NC(=O)N(Cc3nc4ccccc4n3C(F)F)C2=O)cc1 ZINC000031749383 568930109 /nfs/dbraw/zinc/93/01/09/568930109.db2.gz NUYRBYQIYKVVJU-JOCHJYFZSA-N 0 0 412.440 4.522 50 0 HJAARN CCC[C@H](C)NC(=O)CSc1nnc(-c2ccccc2OC)n1C1CCCCC1 ZINC000012743726 568930184 /nfs/dbraw/zinc/93/01/84/568930184.db2.gz HLAXFIKLNGLZIK-INIZCTEOSA-N 0 0 416.591 4.856 50 0 HJAARN Cc1cc(C)c(NC(=O)[C@]2(N3CCC3=O)CC[C@H]3Cc4ccccc4C[C@@H]3C2)c(C)c1 ZINC000001410592 568930353 /nfs/dbraw/zinc/93/03/53/568930353.db2.gz ZTLLWPGTVMCZDW-OBTVHEKISA-N 0 0 416.565 4.737 50 0 HJAARN O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000001233144 568930466 /nfs/dbraw/zinc/93/04/66/568930466.db2.gz VUODOHZNZRVKFD-UHFFFAOYSA-N 0 0 423.262 4.720 50 0 HJAARN CCC(C)(C)[C@H]1CCc2c(sc3ncn4nc(CCn5ccc(C)n5)nc4c23)C1 ZINC000002802095 568932436 /nfs/dbraw/zinc/93/24/36/568932436.db2.gz POAMBCGZDMOORV-HNNXBMFYSA-N 0 0 408.575 4.628 50 0 HJAARN CCOc1ccc(S(=O)(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)cc1 ZINC000004036337 568935562 /nfs/dbraw/zinc/93/55/62/568935562.db2.gz XKWJGIOPVCLSFS-UHFFFAOYSA-N 0 0 411.508 4.558 50 0 HJAARN O=S(=O)(c1nc(-c2ccccc2F)oc1N1CCCCCC1)c1ccccc1 ZINC000001422144 568938447 /nfs/dbraw/zinc/93/84/47/568938447.db2.gz VEPAKOBPQHOOJI-UHFFFAOYSA-N 0 0 400.475 4.694 50 0 HJAARN C[C@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2c3ccccc3C(=O)N21)c1ccccc1 ZINC000004084805 568939931 /nfs/dbraw/zinc/93/99/31/568939931.db2.gz SMBBHPVLMHSHPM-GVHPLLPZSA-N 0 0 421.500 4.515 50 0 biogenic HJAARN CC(C)Cc1ccc([C@@H](NCc2nnnn2-c2ccccc2)c2cccs2)cc1 ZINC000012753630 568941907 /nfs/dbraw/zinc/94/19/07/568941907.db2.gz JIOAVXZTVSBXJF-HSZRJFAPSA-N 0 0 403.555 4.802 50 0 HJAARN CC(C)Cc1ccc([C@H](NCc2nnnn2-c2ccccc2)c2cccs2)cc1 ZINC000012753635 568941924 /nfs/dbraw/zinc/94/19/24/568941924.db2.gz JIOAVXZTVSBXJF-QHCPKHFHSA-N 0 0 403.555 4.802 50 0 HJAARN Cc1ccc(-n2c(SCC(=O)c3ccccc3)nc3c(c2=O)S[C@H](C)C3)cc1 ZINC000004108134 568943756 /nfs/dbraw/zinc/94/37/56/568943756.db2.gz FSKARYWVUWZFGG-OAHLLOKOSA-N 0 0 408.548 4.553 50 0 HJAARN Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000004110889 568943972 /nfs/dbraw/zinc/94/39/72/568943972.db2.gz QVZAUJCDUFDKND-UHFFFAOYSA-N 0 0 414.417 4.975 50 0 aggregator HJAARN COc1cccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)nc3c2cnn3C(C)C)c1 ZINC000012757293 568944243 /nfs/dbraw/zinc/94/42/43/568944243.db2.gz FHEZTNLXRKBIMR-UHFFFAOYSA-N 0 0 421.522 4.758 50 0 HJAARN COC(=O)c1ccc(-c2ccco2)n1Cc1nc(-c2ccc(OC)c(OC)c2)oc1C ZINC000004115478 568944342 /nfs/dbraw/zinc/94/43/42/568944342.db2.gz GHVIGEAJYSABAS-UHFFFAOYSA-N 0 0 422.437 4.564 50 0 HJAARN Cc1ccccc1-c1noc(CNc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)n1 ZINC000084247700 568944786 /nfs/dbraw/zinc/94/47/86/568944786.db2.gz KFDOJCHLWWCUQV-GOSISDBHSA-N 0 0 404.514 4.980 50 0 HJAARN Cc1ccc(NC(=O)[C@H](C)Sc2nnc(CNc3cccc(Cl)c3)n2C)cc1 ZINC000004130256 568945250 /nfs/dbraw/zinc/94/52/50/568945250.db2.gz JABMQMFQLKLXEF-AWEZNQCLSA-N 0 0 415.950 4.508 50 0 HJAARN Cc1csc(-c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCCCC4)cc2)n1 ZINC000084271383 568945589 /nfs/dbraw/zinc/94/55/89/568945589.db2.gz DVWONXWDWKMKPW-UHFFFAOYSA-N 0 0 411.552 4.800 50 0 HJAARN CCOc1ccccc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1CC ZINC000004138561 568945696 /nfs/dbraw/zinc/94/56/96/568945696.db2.gz NDSDHFQAJRCIST-UHFFFAOYSA-N 0 0 421.526 4.576 50 0 HJAARN CCOc1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2CC)cc1 ZINC000004138564 568945707 /nfs/dbraw/zinc/94/57/07/568945707.db2.gz AUMAERUBMYOFAC-UHFFFAOYSA-N 0 0 421.526 4.576 50 0 HJAARN CCN(Cc1ccc(OC)c(F)c1)Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC000012761609 568945738 /nfs/dbraw/zinc/94/57/38/568945738.db2.gz XMAIPSMQZWHILB-UHFFFAOYSA-N 0 0 423.513 4.821 50 0 HJAARN O=C(CC[S@@](=O)Cc1csc(Br)c1)Nc1ccc(Cl)cc1F ZINC000084343630 568946891 /nfs/dbraw/zinc/94/68/91/568946891.db2.gz PVHDSZABWFUARC-QFIPXVFZSA-N 0 0 424.744 4.581 50 0 HJAARN O=C(c1cccnc1SC(F)(F)F)N1CCCc2cc(OC(F)F)ccc21 ZINC000084358163 568947268 /nfs/dbraw/zinc/94/72/68/568947268.db2.gz WQFUZYNMGQEOCL-UHFFFAOYSA-N 0 0 404.360 4.888 50 0 HJAARN COc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2)c(OC)c1 ZINC000004162435 568947303 /nfs/dbraw/zinc/94/73/03/568947303.db2.gz RPOHZXGFXAPJNW-UHFFFAOYSA-N 0 0 416.433 4.955 50 0 HJAARN Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(Cl)cc4)c(=O)c23)s1 ZINC000012765058 568947875 /nfs/dbraw/zinc/94/78/75/568947875.db2.gz UBGTXEZYENRLSX-UHFFFAOYSA-N 0 0 415.927 4.787 50 0 HJAARN COc1cc2c(cc1NC(=O)CCn1cc(Br)cn1)oc1ccccc12 ZINC000004178561 568949073 /nfs/dbraw/zinc/94/90/73/568949073.db2.gz 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CSc1ccc(CN(C)C(=O)c2sc(NC(=O)c3ccco3)cc2C)cc1 ZINC000012822508 569006526 /nfs/dbraw/zinc/00/65/26/569006526.db2.gz WVYVYPAKOWBXIX-UHFFFAOYSA-N 0 0 400.525 4.896 50 0 HJAARN O=C1OC(c2ccc(Br)cc2)=N/C1=C\c1ccc(Br)cc1 ZINC000001505719 569006774 /nfs/dbraw/zinc/00/67/74/569006774.db2.gz BCILXMMOAHQHSN-ZROIWOOFSA-N 0 0 407.061 4.556 50 0 HJAARN O=C(NCc1ccccc1Br)c1sc2ncccc2c1-n1cccc1 ZINC000015786028 569006789 /nfs/dbraw/zinc/00/67/89/569006789.db2.gz HBUNWKZLJVDXRI-UHFFFAOYSA-N 0 0 412.312 4.780 50 0 HJAARN COCCn1c(-c2ccc(OC)cc2)cnc1NC(=O)Nc1ccc(C)cc1Cl ZINC000015786057 569006816 /nfs/dbraw/zinc/00/68/16/569006816.db2.gz DJQNIZLZERGSRJ-UHFFFAOYSA-N 0 0 414.893 4.811 50 0 HJAARN Cc1cccc(N2CCN(C(=O)c3sc4ncccc4c3-n3cccc3)C[C@H]2C)c1 ZINC000015786002 569006826 /nfs/dbraw/zinc/00/68/26/569006826.db2.gz XEYFGISFZZZVSW-GOSISDBHSA-N 0 0 416.550 4.746 50 0 HJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccccc2)C(=O)c2ccc(C)cc2)c1C ZINC000085711471 569007253 /nfs/dbraw/zinc/00/72/53/569007253.db2.gz LOKLHCFQEONHFE-UHFFFAOYSA-N 0 0 404.510 4.959 50 0 HJAARN COc1cc(C(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)cc(OC)c1OC ZINC000001509972 569007596 /nfs/dbraw/zinc/00/75/96/569007596.db2.gz VKBPNMUMXPFJDC-UHFFFAOYSA-N 0 0 405.450 4.504 50 0 HJAARN COc1ccc(Cl)cc1N1C(=O)[C@@H]2CCCN2[C@H]1c1ccc(Br)cc1 ZINC000085988156 569010024 /nfs/dbraw/zinc/01/00/24/569010024.db2.gz KZHKBTKFRWAGEL-MAUKXSAKSA-N 0 0 421.722 4.621 50 0 HJAARN CC(C)c1ccc([C@H](NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)C(C)C)cc1 ZINC000012848961 569010294 /nfs/dbraw/zinc/01/02/94/569010294.db2.gz IIOKSISZLOKWHJ-LJQANCHMSA-N 0 0 409.498 4.933 50 0 HJAARN O=C(Cc1csc(-c2ccccc2)n1)Nc1ccnn1Cc1cccc(Cl)c1 ZINC000012848517 569010306 /nfs/dbraw/zinc/01/03/06/569010306.db2.gz ACSRRXJXVUELBN-UHFFFAOYSA-N 0 0 408.914 4.890 50 0 HJAARN Cc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)NC1CCCC1 ZINC000006127380 569010967 /nfs/dbraw/zinc/01/09/67/569010967.db2.gz GLPKRAMOGVXEQD-UHFFFAOYSA-N 0 0 402.494 4.838 50 0 HJAARN Cc1ccc([C@@](O)(CCNC(=O)Nc2ccc(Cl)c(Cl)c2)C(F)(F)F)o1 ZINC000012856080 569011043 /nfs/dbraw/zinc/01/10/43/569011043.db2.gz WQRDIHSVKHZXOZ-HNNXBMFYSA-N 0 0 411.207 4.857 50 0 HJAARN CCN(C(=O)CSc1nnc(Cc2cccs2)n1C1CC1)C1CCCCC1 ZINC000012861998 569011757 /nfs/dbraw/zinc/01/17/57/569011757.db2.gz HKMZMPCHKCKAQT-UHFFFAOYSA-N 0 0 404.605 4.539 50 0 HJAARN COc1ccc(CNC(=O)Cn2nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 ZINC000015827534 569011779 /nfs/dbraw/zinc/01/17/79/569011779.db2.gz PLZJYKSGBSIYGE-UHFFFAOYSA-N 0 0 405.885 4.682 50 0 HJAARN O=C(Cc1noc2ccccc12)Nc1ncc(Cc2ccc(F)c(Cl)c2)s1 ZINC000012862944 569011966 /nfs/dbraw/zinc/01/19/66/569011966.db2.gz BPMDDBWVLLJPHQ-UHFFFAOYSA-N 0 0 401.850 4.849 50 0 HJAARN Cc1ccc(OCCCn2c3ccccc3nc2[C@@H](C)NC(=O)c2ccco2)cc1 ZINC000015833665 569012685 /nfs/dbraw/zinc/01/26/85/569012685.db2.gz AGJUYLWHELYUIT-GOSISDBHSA-N 0 0 403.482 4.898 50 0 HJAARN COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1SCc1noc(C)n1 ZINC000012876408 569013703 /nfs/dbraw/zinc/01/37/03/569013703.db2.gz IMFGODHUABBFPG-UHFFFAOYSA-N 0 0 403.891 4.893 50 0 HJAARN Cn1c(SCC(=O)c2c3ccccc3n(C)c2-c2ccccc2)nnc1C1CC1 ZINC000006129715 569014107 /nfs/dbraw/zinc/01/41/07/569014107.db2.gz OAISPXVAEPAUQV-UHFFFAOYSA-N 0 0 402.523 4.826 50 0 HJAARN C[C@H](Sc1nnc(-c2ccncc2)n1C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000006138446 569014227 /nfs/dbraw/zinc/01/42/27/569014227.db2.gz FNHSOOHJCFGUCW-INIZCTEOSA-N 0 0 415.522 4.663 50 0 HJAARN COc1ccc(-c2nc(S[C@H](C)C(=O)Nc3cccc4ccccc43)n[nH]2)cc1 ZINC000006141779 569014345 /nfs/dbraw/zinc/01/43/45/569014345.db2.gz YDVJXYZOVIZVIY-CQSZACIVSA-N 0 0 404.495 4.753 50 0 HJAARN CCOc1ccc(Oc2ccc(NC(=O)c3cc(=O)[nH]c4ccccc43)cc2)cc1 ZINC000006153998 569015296 /nfs/dbraw/zinc/01/52/96/569015296.db2.gz KEKAYSDKFMLBDW-UHFFFAOYSA-N 0 0 400.434 4.971 50 0 HJAARN Cc1ccc(OC[C@@H](O)Cn2c(COc3ccccc3)nc3ccccc32)cc1C ZINC000015860756 569015384 /nfs/dbraw/zinc/01/53/84/569015384.db2.gz MZFKVUONFYWUPH-FQEVSTJZSA-N 0 0 402.494 4.672 50 0 HJAARN COc1ccc(C(=O)Nc2ccc3[nH]c(CCc4ccccc4)nc3c2)c(OC)c1 ZINC000015863846 569016279 /nfs/dbraw/zinc/01/62/79/569016279.db2.gz QUAPICDPCHXMMN-UHFFFAOYSA-N 0 0 401.466 4.618 50 0 HJAARN COC(=O)c1cccc(NC(=O)Nc2cc(-c3nc4ccccc4o3)ccc2OC)c1 ZINC000015864442 569016536 /nfs/dbraw/zinc/01/65/36/569016536.db2.gz VQHVMTVLKAEIHJ-UHFFFAOYSA-N 0 0 417.421 4.934 50 0 HJAARN COc1ccc(CCNC(=O)c2cc3cc4ccc(Cl)cc4nc3o2)c(OC)c1 ZINC000015865744 569016703 /nfs/dbraw/zinc/01/67/03/569016703.db2.gz TXDFILDGFLBEBH-UHFFFAOYSA-N 0 0 410.857 4.624 50 0 HJAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000012880480 569017926 /nfs/dbraw/zinc/01/79/26/569017926.db2.gz LXZNNFSVBLEQKJ-UHFFFAOYSA-N 0 0 407.411 4.729 50 0 HJAARN COc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2cccc(Cl)c2)cs1 ZINC000015880752 569018054 /nfs/dbraw/zinc/01/80/54/569018054.db2.gz UDXBPBYCCIBEAE-UHFFFAOYSA-N 0 0 416.890 4.630 50 0 HJAARN CCCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccccc2OCC)o1 ZINC000015881446 569018456 /nfs/dbraw/zinc/01/84/56/569018456.db2.gz JTFSCKBLBFHFDW-UHFFFAOYSA-N 0 0 404.470 4.681 50 0 HJAARN CCOc1ccccc1NC(=O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000015882835 569019231 /nfs/dbraw/zinc/01/92/31/569019231.db2.gz WKSRGIQMZXMWAS-UHFFFAOYSA-N 0 0 416.399 4.566 50 0 HJAARN Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(C(F)(F)F)cc3)c2)c(C)c1 ZINC000015883276 569019263 /nfs/dbraw/zinc/01/92/63/569019263.db2.gz SAKIZBOQPAHXFT-UHFFFAOYSA-N 0 0 400.400 4.785 50 0 HJAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000012884938 569019423 /nfs/dbraw/zinc/01/94/23/569019423.db2.gz SMSILNAIEUHOAC-UHFFFAOYSA-N 0 0 424.400 4.730 50 0 HJAARN C[C@H](C(=O)Nc1cccc(Br)c1)N(C)Cc1nc2ccccc2s1 ZINC000012888408 569019717 /nfs/dbraw/zinc/01/97/17/569019717.db2.gz KNMFLNVAULQXCS-GFCCVEGCSA-N 0 0 404.333 4.518 50 0 HJAARN C[C@H](NC(=O)c1ccc(OCc2cscn2)cc1)c1ccccc1Br ZINC000012904639 569021054 /nfs/dbraw/zinc/02/10/54/569021054.db2.gz SQQVTQFKHCJGCW-ZDUSSCGKSA-N 0 0 417.328 4.976 50 0 HJAARN Cc1ccccc1[C@H](Sc1nnc(N2CCOCC2)n1C1CC1)c1ccccc1 ZINC000012908304 569021628 /nfs/dbraw/zinc/02/16/28/569021628.db2.gz DMBCEJOAKXMTSL-OAQYLSRUSA-N 0 0 406.555 4.640 50 0 HJAARN COc1cc(NC(=O)c2cccc(OCc3csc(C)n3)c2)c(OC)cc1Cl ZINC000012915074 569022173 /nfs/dbraw/zinc/02/21/73/569022173.db2.gz LPBOFXCFGIRBBV-UHFFFAOYSA-N 0 0 418.902 4.953 50 0 HJAARN COc1cc(C)c(NC(=O)c2cc(-c3cccs3)nc3onc(C)c32)cc1OC ZINC000012924630 569023606 /nfs/dbraw/zinc/02/36/06/569023606.db2.gz FBFSDZQBINETBB-UHFFFAOYSA-N 0 0 409.467 4.838 50 0 HJAARN CSc1ccc(CN(C)C(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000012926572 569023818 /nfs/dbraw/zinc/02/38/18/569023818.db2.gz RLMQDVKHBYNATJ-UHFFFAOYSA-N 0 0 418.971 4.665 50 0 HJAARN CSc1nc2n(n1)[C@H](c1cccc(F)c1)C(C(=O)Nc1ccc(C)cc1C)=C(C)N2 ZINC000015974479 569025155 /nfs/dbraw/zinc/02/51/55/569025155.db2.gz PMXNTFQMLBSKMR-LJQANCHMSA-N 0 0 423.517 4.684 50 0 HJAARN Cc1ccc2nc(-c3ccc(NC(=O)CS(=O)(=O)c4ccccc4)cc3)sc2c1 ZINC000016047991 569028408 /nfs/dbraw/zinc/02/84/08/569028408.db2.gz YWMAETQUHTXGIP-UHFFFAOYSA-N 0 0 422.531 4.684 50 0 HJAARN COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=S)N[C@H]1c1ccc(F)cc1 ZINC000016059759 569028488 /nfs/dbraw/zinc/02/84/88/569028488.db2.gz ZPYALHKYKHHNAG-KRWDZBQOSA-N 0 0 424.419 4.727 50 0 HJAARN CC[C@H](C)[C@@H](C(=O)N[C@@H]1CCCc2c3ccccc3[nH]c21)N1Cc2ccccc2C1=O ZINC000575443999 569028574 /nfs/dbraw/zinc/02/85/74/569028574.db2.gz LZINVGUQEGXLQY-IGUJJWBZSA-N 0 0 415.537 4.732 50 0 HJAARN CC(C)CCC[C@H](C)NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000026182106 569029493 /nfs/dbraw/zinc/02/94/93/569029493.db2.gz VVLVUBPQCNLFKX-AWEZNQCLSA-N 0 0 420.907 4.800 50 0 HJAARN O=C1C(=Cc2ccc(Cl)c(F)c2)NC(=S)N1c1ccccc1C(F)(F)F ZINC000102113687 569031431 /nfs/dbraw/zinc/03/14/31/569031431.db2.gz ZUADMIGFJLZQJQ-JYRVWZFOSA-N 0 0 400.784 4.760 50 0 HJAARN Brc1ccc(C(Br)(Br)Br)cc1 ZINC000001682850 569032009 /nfs/dbraw/zinc/03/20/09/569032009.db2.gz JYAVJLTUVOJMPZ-UHFFFAOYSA-N 0 0 407.725 4.744 50 0 HJAARN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2c(F)cccc2F)ccc1C ZINC000006214010 569033306 /nfs/dbraw/zinc/03/33/06/569033306.db2.gz FGQXKDUMUVNZAD-UHFFFAOYSA-N 0 0 416.449 4.635 50 0 HJAARN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCc2cccc(F)c2)cc1C ZINC000006215554 569033325 /nfs/dbraw/zinc/03/33/25/569033325.db2.gz RLLFIOTZEOBEOA-JCMHNJIXSA-N 0 0 422.525 4.634 50 0 HJAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Cc1cccs1)CC2 ZINC000035372172 569033800 /nfs/dbraw/zinc/03/38/00/569033800.db2.gz CPIGEMGABBLDTM-UHFFFAOYSA-N 0 0 405.567 4.748 50 0 biogenic HJAARN Cc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccccc3)n2)cc1Cl ZINC000035375275 569033931 /nfs/dbraw/zinc/03/39/31/569033931.db2.gz UGYZSCNBSGEVAZ-UHFFFAOYSA-N 0 0 400.891 4.930 50 0 HJAARN Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)Nc4ccc(Cl)cc4)C3)nn2)cc1 ZINC000035398150 569035055 /nfs/dbraw/zinc/03/50/55/569035055.db2.gz DMXKSCVPAILSOR-SFHVURJKSA-N 0 0 406.917 4.961 50 0 HJAARN CCOc1ccc(NC(=O)C2CCN(c3ccc(-c4cccc(C)c4)nn3)CC2)cc1 ZINC000035398394 569035150 /nfs/dbraw/zinc/03/51/50/569035150.db2.gz SNSFEOMWYTTZIH-UHFFFAOYSA-N 0 0 416.525 4.706 50 0 HJAARN Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)N2CC=C(c3ccccc3)CC2)on1 ZINC000035398678 569035199 /nfs/dbraw/zinc/03/51/99/569035199.db2.gz KENKJGLISMQDMV-UHFFFAOYSA-N 0 0 414.552 4.806 50 0 HJAARN Cc1ccc2c(c1)NC1(CCN(S(=O)(=O)c3cc(C)ccc3C)CC1)c1cccn1-2 ZINC000035399272 569035333 /nfs/dbraw/zinc/03/53/33/569035333.db2.gz XVMHVBMIZGRROC-UHFFFAOYSA-N 0 0 421.566 4.508 50 0 biogenic HJAARN COc1ccc(Cn2cnc3c4ccccc4n(Cc4ccc(F)cc4)c3c2=O)cc1 ZINC000035400207 569035426 /nfs/dbraw/zinc/03/54/26/569035426.db2.gz MCJMXDQARBZABC-UHFFFAOYSA-N 0 0 413.452 4.596 50 0 HJAARN COc1ccccc1Cn1cnc2c3cc(F)ccc3n(Cc3ccccc3)c2c1=O ZINC000035400357 569035454 /nfs/dbraw/zinc/03/54/54/569035454.db2.gz LEBILVNLJNNHAI-UHFFFAOYSA-N 0 0 413.452 4.596 50 0 HJAARN O=c1c2c(ncn1CCc1ccccc1)c1cc(F)ccc1n2Cc1cccc(F)c1 ZINC000035400381 569035456 /nfs/dbraw/zinc/03/54/56/569035456.db2.gz VRSJWENZVBIAMF-UHFFFAOYSA-N 0 0 415.443 4.920 50 0 HJAARN CC(C)c1ccc(-c2csc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)n2)cc1 ZINC000006257164 569035479 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CCOC(=O)c1c(NC(=O)COc2ccc(Cl)c(Cl)c2)sc2c1CCC2 ZINC000006603049 569070445 /nfs/dbraw/zinc/07/04/45/569070445.db2.gz FMBVUKWOVPZWCH-UHFFFAOYSA-N 0 0 414.310 4.738 50 0 HJAARN COc1ccccc1-c1c(C)oc2c(ccc3c2CN(Cc2cccnc2)CO3)c1=O ZINC000054313316 569070739 /nfs/dbraw/zinc/07/07/39/569070739.db2.gz IKLGWYHWJUBCNM-UHFFFAOYSA-N 0 0 414.461 4.524 50 0 HJAARN Cc1ccc2c(c1)NC(=O)c1cc(S(=O)(=O)N3CCCC[C@H]3C)c(Cl)cc1O2 ZINC000064604784 569070858 /nfs/dbraw/zinc/07/08/58/569070858.db2.gz CLHSNFMABLEPKW-CYBMUJFWSA-N 0 0 420.918 4.570 50 0 HJAARN Cc1ccc(CNC(=O)c2cccc(Nc3ncc(-c4cccc(F)c4)cn3)c2)o1 ZINC000064606043 569071109 /nfs/dbraw/zinc/07/11/09/569071109.db2.gz QIRGFXPOMIKNBU-UHFFFAOYSA-N 0 0 402.429 4.858 50 0 HJAARN O=C(NCCc1ccccc1)c1cccc(Nc2ncc(-c3cccc(F)c3)cn2)c1 ZINC000064606065 569071171 /nfs/dbraw/zinc/07/11/71/569071171.db2.gz ORPBACCDLBVJKS-UHFFFAOYSA-N 0 0 412.468 4.999 50 0 HJAARN O=S(=O)(c1cccc(-c2nc(-c3ccccc3)no2)c1)N1CCCc2ccccc21 ZINC000064610845 569071323 /nfs/dbraw/zinc/07/13/23/569071323.db2.gz XUSTXGSEDUNQSO-UHFFFAOYSA-N 0 0 417.490 4.545 50 0 HJAARN CC1CCN(CC(=O)Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)CC1 ZINC000004809021 569071513 /nfs/dbraw/zinc/07/15/13/569071513.db2.gz SOQSWCXDRRQIGC-UHFFFAOYSA-N 0 0 411.571 4.550 50 0 HJAARN CCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C(C)C ZINC000035980339 569071815 /nfs/dbraw/zinc/07/18/15/569071815.db2.gz SHIFLXZKGCVJRR-UHFFFAOYSA-N 0 0 422.529 4.828 50 0 HJAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C(=O)NCC ZINC000035980904 569071946 /nfs/dbraw/zinc/07/19/46/569071946.db2.gz BYSUHPTZKADUEG-UHFFFAOYSA-N 0 0 410.493 4.960 50 0 HJAARN CCCN(CCC(=O)NC1CC1)c1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000036000639 569074922 /nfs/dbraw/zinc/07/49/22/569074922.db2.gz REPRYQWIVMLAAY-UHFFFAOYSA-N 0 0 408.933 4.835 50 0 HJAARN CCCCN(CCc1nc(-c2ccc(N(C)C)cc2)no1)C(=O)CCc1ccccc1 ZINC000036000463 569074924 /nfs/dbraw/zinc/07/49/24/569074924.db2.gz WLLKUKUIVPVAKY-UHFFFAOYSA-N 0 0 420.557 4.607 50 0 HJAARN COCCCNC(=O)Cc1c(C)c2cc3c(-c4ccccc4)coc3c(C)c2oc1=O ZINC000006623909 569075383 /nfs/dbraw/zinc/07/53/83/569075383.db2.gz PTHXIRHPXBOOSQ-UHFFFAOYSA-N 0 0 419.477 4.518 50 0 biogenic HJAARN COc1ccc(NC(=O)Cc2c(C)c3cc4c(C)coc4cc3oc2=O)cc1Cl ZINC000006624581 569075587 /nfs/dbraw/zinc/07/55/87/569075587.db2.gz ROOLVCPUWJJWID-UHFFFAOYSA-N 0 0 411.841 4.999 50 0 biogenic HJAARN C[C@@H](NC(=O)COC(=O)CCCSc1nc2ccccc2s1)c1ccccc1 ZINC000006625871 569075966 /nfs/dbraw/zinc/07/59/66/569075966.db2.gz WSYWTQKRKGOCJJ-OAHLLOKOSA-N 0 0 414.552 4.589 50 0 HJAARN O=C(CSC1=Nc2ccccc2N=C(c2ccccn2)C1)NCc1ccccc1 ZINC000064656224 569076723 /nfs/dbraw/zinc/07/67/23/569076723.db2.gz UPEHYBSPPQWHDH-UHFFFAOYSA-N 0 0 400.507 4.686 50 0 HJAARN O=C1C[C@H](c2ccc(Cl)cc2)c2scc(S(=O)(=O)c3ccccc3)c2N1 ZINC000064656635 569076833 /nfs/dbraw/zinc/07/68/33/569076833.db2.gz YNJQWRDZQHBLCQ-OAHLLOKOSA-N 0 0 403.912 4.708 50 0 HJAARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2cc(F)ccc2F)cc1 ZINC000064656767 569076935 /nfs/dbraw/zinc/07/69/35/569076935.db2.gz NBGUMKIQHNYDFE-HNNXBMFYSA-N 0 0 419.474 4.642 50 0 HJAARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2ccc(F)cc2F)cc1 ZINC000064656757 569076953 /nfs/dbraw/zinc/07/69/53/569076953.db2.gz FGWRHWRGVRAHOK-HNNXBMFYSA-N 0 0 419.474 4.642 50 0 HJAARN Cc1cccc(C(=O)N2[C@@H](C(=O)N[C@H](C)c3ccccc3)COC23CCC(C)CC3)c1 ZINC000036018129 569077004 /nfs/dbraw/zinc/07/70/04/569077004.db2.gz ALEITJPGBXWUFN-KUOORVGDSA-N 0 0 420.553 4.620 50 0 HJAARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2c(F)cccc2F)cc1 ZINC000064656824 569077026 /nfs/dbraw/zinc/07/70/26/569077026.db2.gz MJOYOYLPZYKYSZ-ZDUSSCGKSA-N 0 0 419.474 4.642 50 0 HJAARN O=C(Cn1cnc2c(-c3ccc(Cl)cc3)csc2c1=O)Nc1cccc(F)c1 ZINC000064667554 569078465 /nfs/dbraw/zinc/07/84/65/569078465.db2.gz WYRKRNZOMJRUGP-UHFFFAOYSA-N 0 0 413.861 4.556 50 0 HJAARN CCN(CC)S(=O)(=O)c1cc(-c2nc(-c3ccc(Cl)cc3)cs2)n(C)c1C ZINC000064668128 569078609 /nfs/dbraw/zinc/07/86/09/569078609.db2.gz FVLNKRIXEZPALJ-UHFFFAOYSA-N 0 0 423.991 4.808 50 0 HJAARN COc1cccc(CNS(=O)(=O)c2cc(-c3csc(C)n3)ccc2C(C)C)c1 ZINC000064669982 569079045 /nfs/dbraw/zinc/07/90/45/569079045.db2.gz HDBGZLFMIQOSOB-UHFFFAOYSA-N 0 0 416.568 4.729 50 0 HJAARN CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)N(C)c1cccc(C)c1 ZINC000064670202 569079078 /nfs/dbraw/zinc/07/90/78/569079078.db2.gz LHRXHQSDVRBGGW-UHFFFAOYSA-N 0 0 402.541 4.651 50 0 HJAARN O=C(C[C@@H]1COc2cc(F)ccc2N1Cc1ccccc1)NCc1ccccc1Cl ZINC000064663451 569079550 /nfs/dbraw/zinc/07/95/50/569079550.db2.gz WEINTNJZCLOGMO-HXUWFJFHSA-N 0 0 424.903 4.953 50 0 HJAARN O=C(C[C@H]1COc2ccccc2N1Cc1ccc(F)cc1)NCCCc1ccccc1 ZINC000064663884 569079692 /nfs/dbraw/zinc/07/96/92/569079692.db2.gz KYKOFNHYPWQGEH-QHCPKHFHSA-N 0 0 418.512 4.732 50 0 HJAARN Nc1c(-c2nc(-c3ccccc3Br)cs2)nnn1-c1cccc(F)c1 ZINC000064664340 569079846 /nfs/dbraw/zinc/07/98/46/569079846.db2.gz BAZNVVNNRVNZCX-UHFFFAOYSA-N 0 0 416.279 4.542 50 0 HJAARN Cc1ccc(-n2nnc(-c3nc(-c4ccc(Br)cc4)cs3)c2N)cc1 ZINC000064664360 569079865 /nfs/dbraw/zinc/07/98/65/569079865.db2.gz QSDZJKWYKHOGDY-UHFFFAOYSA-N 0 0 412.316 4.711 50 0 HJAARN O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000006649370 569080095 /nfs/dbraw/zinc/08/00/95/569080095.db2.gz VXZMPZYBXCVADU-HXUWFJFHSA-N 0 0 414.486 4.607 50 0 HJAARN O=C(NCc1ccccc1Cl)c1csc(-c2ccnc(N3CCCCC3)c2)n1 ZINC000064675956 569080232 /nfs/dbraw/zinc/08/02/32/569080232.db2.gz IVFNEUBZQPNJDF-UHFFFAOYSA-N 0 0 412.946 4.779 50 0 HJAARN CCn1c2ccccc2nc1SCC(=O)N(C)[C@H](C)c1nc2ccccc2s1 ZINC000006649895 569080385 /nfs/dbraw/zinc/08/03/85/569080385.db2.gz YFVBDGCVJASGLI-CQSZACIVSA-N 0 0 410.568 4.978 50 0 HJAARN CCN1c2cc(C(=O)Nc3cc(OC)cc(OC)c3)ccc2Oc2ccccc2C1=O ZINC000064677298 569081544 /nfs/dbraw/zinc/08/15/44/569081544.db2.gz LBDHNUXNLHFAQX-UHFFFAOYSA-N 0 0 418.449 4.729 50 0 HJAARN Cc1ccccc1CN1CCCN(c2ccc(C(=O)NCc3cccs3)cc2)C1=O ZINC000064687774 569082148 /nfs/dbraw/zinc/08/21/48/569082148.db2.gz SOUHKQQTMLEZQE-UHFFFAOYSA-N 0 0 419.550 4.819 50 0 HJAARN CCOC(=O)c1nc2cc(C)c(C)cc2nc1Nc1cc(Cl)c(OC)cc1OC ZINC000064690401 569082262 /nfs/dbraw/zinc/08/22/62/569082262.db2.gz ISPZGUHWLCSSNG-UHFFFAOYSA-N 0 0 415.877 4.838 50 0 HJAARN Cc1noc(C)c1CSc1nc2c3cccnc3sc2c(=O)n1CCC(C)C ZINC000064700318 569083223 /nfs/dbraw/zinc/08/32/23/569083223.db2.gz GLKKUAIYVDTFDD-UHFFFAOYSA-N 0 0 414.556 4.949 50 0 HJAARN COc1cccc(CN(Cc2nc(C(=O)NCc3ccccc3)co2)[C@H](C)C(C)C)c1 ZINC000036065581 569085896 /nfs/dbraw/zinc/08/58/96/569085896.db2.gz HTNGFDXIVIFVGP-LJQANCHMSA-N 0 0 421.541 4.660 50 0 HJAARN CCN(C)C(=O)c1coc(CN(Cc2ccc(F)cc2F)[C@@H](C)c2ccccc2)n1 ZINC000036073482 569086345 /nfs/dbraw/zinc/08/63/45/569086345.db2.gz FEYWYQCQDNCDCT-INIZCTEOSA-N 0 0 413.468 4.808 50 0 HJAARN Cc1cccc(CN(Cc2nc(C(=O)N3CCCC3)co2)Cc2ccc(F)cc2)c1 ZINC000036072518 569086732 /nfs/dbraw/zinc/08/67/32/569086732.db2.gz BTWOMDGTSAZKDK-UHFFFAOYSA-N 0 0 407.489 4.561 50 0 HJAARN COc1ccc(CN(Cc2ccccc2F)C[C@H](O)COc2ccccc2C)cc1 ZINC000036095353 569089815 /nfs/dbraw/zinc/08/98/15/569089815.db2.gz PURJQIGSNKRCCC-QFIPXVFZSA-N 0 0 409.501 4.585 50 0 HJAARN CCCN(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)C(=O)c1cccc(F)c1 ZINC000006696045 569091691 /nfs/dbraw/zinc/09/16/91/569091691.db2.gz UFEFGWGQETYCOO-UHFFFAOYSA-N 0 0 413.537 4.929 50 0 HJAARN COCCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1cccs1 ZINC000036106894 569093182 /nfs/dbraw/zinc/09/31/82/569093182.db2.gz AUHBLAPUYYRAHG-UHFFFAOYSA-N 0 0 416.568 4.689 50 0 HJAARN COc1cccc(CSc2nnc(-c3sc4ncccc4c3N)n2C2CC2)c1 ZINC000064794117 569096306 /nfs/dbraw/zinc/09/63/06/569096306.db2.gz HQRYBGRAJBXGAU-UHFFFAOYSA-N 0 0 409.540 4.773 50 0 HJAARN CCNc1nc(C)cc(Nc2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2)n1 ZINC000064800802 569097368 /nfs/dbraw/zinc/09/73/68/569097368.db2.gz CBNJXENAYDCSEM-UHFFFAOYSA-N 0 0 411.893 4.875 50 0 HJAARN Cc1cc(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)nc(N2CCCCC2)n1 ZINC000064800955 569097519 /nfs/dbraw/zinc/09/75/19/569097519.db2.gz UHVSASJXWILDGM-UHFFFAOYSA-N 0 0 405.477 4.910 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2nc1N1CCCC1 ZINC000006721253 569099258 /nfs/dbraw/zinc/09/92/58/569099258.db2.gz KSHIYSQPBUHCTG-UHFFFAOYSA-N 0 0 412.946 4.923 50 0 HJAARN CCC(CC)C(=O)N(Cc1cc(NC(=O)c2ccco2)ccc1N(C)C)CC1CC1 ZINC000006722418 569099632 /nfs/dbraw/zinc/09/96/32/569099632.db2.gz OISOXRITJLHZFN-UHFFFAOYSA-N 0 0 411.546 4.773 50 0 HJAARN CC[C@H](C)N(Cc1cc(NC(=O)C(C)C)ccc1N(C)C)C(=O)c1ccc(F)cc1 ZINC000006722492 569099635 /nfs/dbraw/zinc/09/96/35/569099635.db2.gz PJLFQAOZMLIFDB-KRWDZBQOSA-N 0 0 413.537 4.927 50 0 HJAARN CC(C)NC(=O)Nc1ccc(N(C)C)c(CN(C(=O)C(C)(C)C)C2CCCCC2)c1 ZINC000006722599 569099700 /nfs/dbraw/zinc/09/97/00/569099700.db2.gz MBBBAGADMZRWRH-UHFFFAOYSA-N 0 0 416.610 4.990 50 0 HJAARN CCn1nc(C)c2nc(SCc3ccc(C)cc3)n(Cc3ccc(C)cc3)c(=O)c21 ZINC000064817173 569100825 /nfs/dbraw/zinc/10/08/25/569100825.db2.gz NRVGOYPRBZCLSR-UHFFFAOYSA-N 0 0 418.566 4.879 50 0 HJAARN CC(=O)N1N=C(c2cccc(Br)c2)O[C@@H]1c1cccc(Cl)c1Cl ZINC000064819780 569102268 /nfs/dbraw/zinc/10/22/68/569102268.db2.gz RSXHQVWOTZZMSZ-MRXNPFEDSA-N 0 0 414.086 4.995 50 0 HJAARN COc1cc(NC(=O)c2c(C)onc2-c2ccc(Br)s2)cc(OC)c1 ZINC000064820091 569102392 /nfs/dbraw/zinc/10/23/92/569102392.db2.gz YYTLVZRYLUVRRH-UHFFFAOYSA-N 0 0 423.288 4.744 50 0 HJAARN COc1ccc(OC)c(NC(=O)c2c(C)onc2-c2ccc(Br)s2)c1 ZINC000064820137 569102396 /nfs/dbraw/zinc/10/23/96/569102396.db2.gz PVHBXAHTUWVDBT-UHFFFAOYSA-N 0 0 423.288 4.744 50 0 HJAARN COc1ccc(C(=O)c2cn(Cc3ccccc3)c3c(F)cc(F)cc3c2=O)cc1 ZINC000006736745 569104457 /nfs/dbraw/zinc/10/44/57/569104457.db2.gz MHSKANJWPTVJQP-UHFFFAOYSA-N 0 0 405.400 4.568 50 0 HJAARN Cc1cccc(-c2noc(CN(C(=O)[C@H](C)Oc3cccc(Cl)c3)C(C)C)n2)c1 ZINC000006737009 569104761 /nfs/dbraw/zinc/10/47/61/569104761.db2.gz AGXIMHYNVZYQPY-INIZCTEOSA-N 0 0 413.905 4.903 50 0 HJAARN Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CN(C(C)C)CC4)cc1Cl ZINC000006737129 569104763 /nfs/dbraw/zinc/10/47/63/569104763.db2.gz NOMFIDOYJDYJBG-UHFFFAOYSA-N 0 0 414.962 4.859 50 0 HJAARN COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)Cc1ccccc1 ZINC000006739236 569105891 /nfs/dbraw/zinc/10/58/91/569105891.db2.gz OPAZXMXJNBVENT-UHFFFAOYSA-N 0 0 400.434 4.875 50 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/nfs/dbraw/zinc/11/03/27/569110327.db2.gz ONGLICJHDRSAOK-GOSISDBHSA-N 0 0 424.570 4.523 50 0 HJAARN O=C(C1CCC1)N(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000006753625 569110739 /nfs/dbraw/zinc/11/07/39/569110739.db2.gz LQCBYMFHBKQTNA-FQEVSTJZSA-N 0 0 400.881 4.801 50 0 HJAARN Cc1nc(SCc2ccc(C(=O)N(C)Cc3ccccc3)cc2)nc(N(C)C)c1C ZINC000006765298 569114473 /nfs/dbraw/zinc/11/44/73/569114473.db2.gz JOHBEULIEQZSDO-UHFFFAOYSA-N 0 0 420.582 4.724 50 0 HJAARN O=C(NCCNc1nc(-c2cccs2)nc2cc(Cl)ccc21)C1CCCC1 ZINC000006766254 569114614 /nfs/dbraw/zinc/11/46/14/569114614.db2.gz MRDNENANGZWMGW-UHFFFAOYSA-N 0 0 400.935 4.730 50 0 HJAARN CC(C)CN(Cc1ccc(OS(=O)(=O)C(C)C)cc1)C(=O)c1ccccc1Cl ZINC000006765846 569114736 /nfs/dbraw/zinc/11/47/36/569114736.db2.gz NNVAUKAJUUQUKT-UHFFFAOYSA-N 0 0 423.962 4.755 50 0 HJAARN C[C@@H](C(=O)Nc1ccccc1Cl)n1nc(-c2ccccc2)c2c(c1=O)CCCC2 ZINC000006767192 569115001 /nfs/dbraw/zinc/11/50/01/569115001.db2.gz WBACCLRUYCEDDR-HNNXBMFYSA-N 0 0 407.901 4.642 50 0 HJAARN 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CC(=O)c1cccc(NC(=O)c2cc(-c3cccnc3)n(-c3ccc(F)cc3)n2)c1 ZINC000064919387 569120887 /nfs/dbraw/zinc/12/08/87/569120887.db2.gz KEQRNHLZCYDUIH-UHFFFAOYSA-N 0 0 400.413 4.528 50 0 HJAARN COc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000006785664 569121745 /nfs/dbraw/zinc/12/17/45/569121745.db2.gz KXPYFYZLHHHPOO-UHFFFAOYSA-N 0 0 416.506 4.674 50 0 HJAARN CCN(C(=O)[C@H](C)Sc1nnc(Nc2ccccc2F)s1)c1ccccc1 ZINC000006787107 569121880 /nfs/dbraw/zinc/12/18/80/569121880.db2.gz ZBKWYGANVGWWSK-ZDUSSCGKSA-N 0 0 402.520 4.955 50 0 HJAARN CCN(C(=O)[C@@H](C)Sc1nnc(Nc2ccccc2F)s1)c1ccccc1 ZINC000006787105 569121944 /nfs/dbraw/zinc/12/19/44/569121944.db2.gz ZBKWYGANVGWWSK-CYBMUJFWSA-N 0 0 402.520 4.955 50 0 HJAARN CCC(CC)C(=O)N1CCC[C@@H]1c1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000064930190 569123669 /nfs/dbraw/zinc/12/36/69/569123669.db2.gz CZKXKQIMBTWAEB-OAHLLOKOSA-N 0 0 406.939 4.544 50 0 HJAARN Cc1ccccc1NC(=O)c1c2c(sc1NC(=O)c1ccnn1C)CCCCC2 ZINC000006789775 569124020 /nfs/dbraw/zinc/12/40/20/569124020.db2.gz 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CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cc(F)ccc1OCC(F)(F)F ZINC000037150072 569239002 /nfs/dbraw/zinc/23/90/02/569239002.db2.gz PCMNJJBKIGNJGS-GOSISDBHSA-N 0 0 422.378 4.670 50 0 HJAARN CCN(CC)c1nc2sc(C(=O)N3C[C@@H](C)O[C@@H](c4ccccc4)C3)cc2s1 ZINC000065626458 569239107 /nfs/dbraw/zinc/23/91/07/569239107.db2.gz OTBMUQKGUOWWRE-GDBMZVCRSA-N 0 0 415.584 4.806 50 0 HJAARN CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1nc2ccccc2s1 ZINC000007473320 569240244 /nfs/dbraw/zinc/24/02/44/569240244.db2.gz DXDOLGIBXNMBJW-VYBOSXCSSA-N 0 0 411.571 4.592 50 0 HJAARN O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)N1CCN(c2ccc(O)cc2)CC1 ZINC000037228426 569240802 /nfs/dbraw/zinc/24/08/02/569240802.db2.gz DLGXXWZIACVXJP-RUZDIDTESA-N 0 0 411.505 4.620 50 0 HJAARN CCCn1nnnc1CSc1nnc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)n1 ZINC000007481645 569240845 /nfs/dbraw/zinc/24/08/45/569240845.db2.gz FXCHDTDDTCWBQN-UHFFFAOYSA-N 0 0 417.542 4.511 50 0 HJAARN O=C(CSc1nnc(-c2cccs2)o1)N[C@H](c1cccs1)c1ccccc1 ZINC000007485880 569240860 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Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSC2=NCCS2)cc1 ZINC000017041204 569272271 /nfs/dbraw/zinc/27/22/71/569272271.db2.gz XOWVUMLDUYHAJN-INIZCTEOSA-N 0 0 401.582 4.570 50 0 HJAARN Cc1cc(Oc2cc(N3CCN(C(=O)c4ccccc4)[C@H](C)C3)ncn2)ccc1Cl ZINC000037356113 569272361 /nfs/dbraw/zinc/27/23/61/569272361.db2.gz UCXDGFSWZSZZKQ-QGZVFWFLSA-N 0 0 422.916 4.582 50 0 HJAARN Cc1cc(C)cc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)c1 ZINC000002075805 569277728 /nfs/dbraw/zinc/27/77/28/569277728.db2.gz IBTOSJSWABFMLO-NQIIRXRSSA-N 0 0 412.530 4.741 50 0 HJAARN O=C(CSc1nnc(SCc2ccccc2)s1)Nc1ccc(F)c(F)c1 ZINC000001815676 569282499 /nfs/dbraw/zinc/28/24/99/569282499.db2.gz NGXZIACKSLPAJG-UHFFFAOYSA-N 0 0 409.508 4.839 50 0 HJAARN CCc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SCCC(=O)N32)cc1 ZINC000002508870 569282880 /nfs/dbraw/zinc/28/28/80/569282880.db2.gz PGZVXQHKGMNCCU-QFIPXVFZSA-N 0 0 420.534 4.643 50 0 HJAARN CCOc1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(C(F)(F)F)c3)c2)cc1 ZINC000007594159 569286763 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4.786 50 0 HJAARN CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 ZINC000007724259 569302790 /nfs/dbraw/zinc/30/27/90/569302790.db2.gz DUSMAGYTRLDIEN-KRWDZBQOSA-N 0 0 420.534 4.641 50 0 HJAARN C[C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)CCN1C(=O)Nc1cccc(Cl)c1 ZINC000037522197 569303183 /nfs/dbraw/zinc/30/31/83/569303183.db2.gz WGTVBQSHIHLVBL-GFCCVEGCSA-N 0 0 411.811 4.628 50 0 HJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc3sc(C)cc3n2Cc2cccc(C)c2)C1 ZINC000037541386 569304907 /nfs/dbraw/zinc/30/49/07/569304907.db2.gz HKDPCARAFRPRDF-IBGZPJMESA-N 0 0 424.566 4.783 50 0 HJAARN CCN(C(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1C)C1=CCCC1 ZINC000007736397 569304965 /nfs/dbraw/zinc/30/49/65/569304965.db2.gz VTSBRHYAMGVMRL-UHFFFAOYSA-N 0 0 419.554 4.646 50 0 HJAARN CCCCn1nnnc1CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000007738410 569305163 /nfs/dbraw/zinc/30/51/63/569305163.db2.gz GHEQCPGPDWVEFV-UHFFFAOYSA-N 0 0 412.950 4.817 50 0 HJAARN COc1ccccc1Oc1c(CCC(=O)NC(C)C)c(C)nn1-c1ccc(F)cc1 ZINC000037547149 569305703 /nfs/dbraw/zinc/30/57/03/569305703.db2.gz SCURFMOIHYXWCL-UHFFFAOYSA-N 0 0 411.477 4.578 50 0 HJAARN CCN(C)C(=O)CCc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(OC)cc1 ZINC000037547357 569305865 /nfs/dbraw/zinc/30/58/65/569305865.db2.gz AXAPLZUIMFWSED-UHFFFAOYSA-N 0 0 411.477 4.532 50 0 HJAARN COc1ccc(-n2nc(C)c(CCC(=O)NC3CC3)c2Oc2ccc(C)cc2)cc1 ZINC000037546803 569305893 /nfs/dbraw/zinc/30/58/93/569305893.db2.gz FKYVKYBBCXBELB-UHFFFAOYSA-N 0 0 405.498 4.501 50 0 HJAARN COC(=O)c1c(C)c2ccccc2nc1CN1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000007741590 569306021 /nfs/dbraw/zinc/30/60/21/569306021.db2.gz ULBOGVBVDIIZLU-JOCHJYFZSA-N 0 0 420.509 4.684 50 0 HJAARN C[C@@H](NC(=O)[C@H]1CCN(c2ccc(Oc3ccccc3)cc2)C1=O)c1ccccc1 ZINC000037571855 569307405 /nfs/dbraw/zinc/30/74/05/569307405.db2.gz FKFJBKKVFOFVCA-WZONZLPQSA-N 0 0 400.478 4.709 50 0 HJAARN C[C@H](OC(=O)c1oc2ccccc2c1COc1ccccc1)C(=O)N1CCC(C)CC1 ZINC000007777920 569308830 /nfs/dbraw/zinc/30/88/30/569308830.db2.gz IWANXZSWQQLGNW-SFHVURJKSA-N 0 0 421.493 4.816 50 0 HJAARN Cc1ccc(Sc2ncccc2C(=O)Nc2ccnn2Cc2cccnc2)c(C)c1 ZINC000007779286 569309161 /nfs/dbraw/zinc/30/91/61/569309161.db2.gz GZIKLRHDIQSORL-UHFFFAOYSA-N 0 0 415.522 4.742 50 0 HJAARN Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(OCc4ccccc4)cc3)n2)cc1 ZINC000007781110 569309962 /nfs/dbraw/zinc/30/99/62/569309962.db2.gz CCXXFTNDJITGHL-UHFFFAOYSA-N 0 0 413.477 4.896 50 0 HJAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cc(C2CC2)nc2ccccc21 ZINC000007824637 569312997 /nfs/dbraw/zinc/31/29/97/569312997.db2.gz RIEZJFSDHKKICH-UHFFFAOYSA-N 0 0 410.521 4.904 50 0 HJAARN Fc1c(-c2nnc(Cc3ccc(Cl)cc3)o2)nc2ccc(Br)cn12 ZINC000066089049 569314433 /nfs/dbraw/zinc/31/44/33/569314433.db2.gz HQFDALMKQXYCMS-UHFFFAOYSA-N 0 0 407.630 4.530 50 0 HJAARN COc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)cc(OC)c1OC ZINC000007883974 569315152 /nfs/dbraw/zinc/31/51/52/569315152.db2.gz YTRYDHRIIPLVQA-DEOSSOPVSA-N 0 0 418.493 4.788 50 0 HJAARN Cc1nn(C)c(C)c1/C=C1\C[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@@H]1O ZINC000253508413 569317888 /nfs/dbraw/zinc/31/78/88/569317888.db2.gz IFDSJTUAVYQLDO-DWWMLPFESA-N 0 0 412.618 4.795 50 0 HJAARN O=c1c(=Cc2cccc(OCc3ccc(Cl)cc3)c2)sc2nc3ccccc3n12 ZINC000252670180 569319267 /nfs/dbraw/zinc/31/92/67/569319267.db2.gz JURDEIMJWCQWOP-UHFFFAOYSA-N 0 0 418.905 4.689 50 0 HJAARN CCOc1ccccc1-c1nc(-c2ccc(-c3ccc(OC)cc3)nc2OC)no1 ZINC000002231171 569319683 /nfs/dbraw/zinc/31/96/83/569319683.db2.gz JVUNEPWLERCFAM-UHFFFAOYSA-N 0 0 403.438 4.882 50 0 HJAARN COC(=O)Cc1c(C)c2cc(Cl)c(OCc3cccc(Cl)c3)cc2oc1=O ZINC000002233326 569320067 /nfs/dbraw/zinc/32/00/67/569320067.db2.gz OICRTTPBCLHKLG-UHFFFAOYSA-N 0 0 407.249 4.703 50 0 HJAARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4Cc5c(c(C)nn5C(C)=O)[C@@]4(C)CC[C@H]32)C1 ZINC000252694471 569320172 /nfs/dbraw/zinc/32/01/72/569320172.db2.gz LFSRWPRCKLPVBQ-QIPSTXGNSA-N 0 0 410.558 4.760 50 0 biogenic HJAARN CC(=O)NCc1ccc(C(=O)CSc2nc3ccccc3n2-c2ccccc2)cc1 ZINC000007901267 569320193 /nfs/dbraw/zinc/32/01/93/569320193.db2.gz KKGOTEZCYWGFJC-UHFFFAOYSA-N 0 0 415.518 4.637 50 0 HJAARN CC(=O)c1csc(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)n1 ZINC000015200903 569320369 /nfs/dbraw/zinc/32/03/69/569320369.db2.gz FBBVZJPRSILEIM-UHFFFAOYSA-N 0 0 404.447 4.680 50 0 HJAARN CCN(CC(=O)Nc1ccc(OC)cc1)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000007904496 569320551 /nfs/dbraw/zinc/32/05/51/569320551.db2.gz VGAJIWMZSGLWDG-UHFFFAOYSA-N 0 0 415.946 4.933 50 0 HJAARN Cc1ccc(S(=O)(=O)/N=[S@](/C[C@@H]2CC2(Cl)Cl)c2ccccc2)cc1 ZINC000003652323 569321224 /nfs/dbraw/zinc/32/12/24/569321224.db2.gz LRSPENWZCIZCJT-PSLXWICFSA-N 0 0 402.368 4.739 50 0 HJAARN CCCCCNC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc21 ZINC000002250970 569323943 /nfs/dbraw/zinc/32/39/43/569323943.db2.gz KYQCBTCZSUNIOS-UHFFFAOYSA-N 0 0 405.546 4.977 50 0 HJAARN Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1-c1ccc(F)c(Cl)c1 ZINC000002247740 569324358 /nfs/dbraw/zinc/32/43/58/569324358.db2.gz KSWIQJXRPMKPFX-UHFFFAOYSA-N 0 0 423.879 4.621 50 0 HJAARN CC(C)(C)c1ccc(C(=O)N/C(=C/c2cccs2)C(=O)NCc2ccco2)cc1 ZINC000002267548 569325829 /nfs/dbraw/zinc/32/58/29/569325829.db2.gz QSLRBPLQAYOGRE-XSFVSMFZSA-N 0 0 408.523 4.726 50 0 HJAARN CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000002256674 569326445 /nfs/dbraw/zinc/32/64/45/569326445.db2.gz NRKHMAOSNFNSHG-ZFWWWQNUSA-N 0 0 413.326 4.595 50 0 HJAARN O=C(Cc1ccc(Cl)cc1)Nn1c(=O)c2ccccc2nc1-c1cccc(Cl)c1 ZINC000027527558 569363971 /nfs/dbraw/zinc/36/39/71/569363971.db2.gz DAPOQEZZXFWAJA-UHFFFAOYSA-N 0 0 424.287 4.683 50 0 HJAARN CCOC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1 ZINC000002283360 569364371 /nfs/dbraw/zinc/36/43/71/569364371.db2.gz ZEPRHSVCQOLVBE-UHFFFAOYSA-N 0 0 422.531 4.769 50 0 HJAARN O=C1C[C@@H](c2ccc3c(c2)OCO3)c2c(ccc3c(=O)c(-c4ccccc4)coc32)O1 ZINC000253399105 569365416 /nfs/dbraw/zinc/36/54/16/569365416.db2.gz COVLHCYLUSZDAA-KRWDZBQOSA-N 0 0 412.397 4.630 50 0 biogenic HJAARN O=C1C[C@H](c2ccc(O)cc2)c2c(ccc3c(=O)c(-c4ccc(F)cc4)coc32)O1 ZINC000253412580 569366735 /nfs/dbraw/zinc/36/67/35/569366735.db2.gz RKRYUTIABSASNN-GOSISDBHSA-N 0 0 402.377 4.746 50 0 biogenic HJAARN O=c1c2ccccc2nc(-c2ccccc2F)n1NCc1ccc(OC(F)F)cc1 ZINC000027531338 569366863 /nfs/dbraw/zinc/36/68/63/569366863.db2.gz FKDBCUWCODGGIE-UHFFFAOYSA-N 0 0 411.383 4.548 50 0 HJAARN COCCn1cc(CC(=O)N[C@H]2CCCc3c4ccccc4[nH]c32)c2ccccc21 ZINC000253414966 569366955 /nfs/dbraw/zinc/36/69/55/569366955.db2.gz ZFLCIURKBURVPQ-QFIPXVFZSA-N 0 0 401.510 4.505 50 0 biogenic HJAARN CC[C@@]1(C)Cc2c(sc3nc(SCc4ccc5c(c4)OCO5)nc(N)c23)CO1 ZINC000002296905 569369464 /nfs/dbraw/zinc/36/94/64/569369464.db2.gz KUMARUNLCYIFMT-FQEVSTJZSA-N 0 0 415.540 4.536 50 0 HJAARN CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CC(C)(C)OC3 ZINC000002292449 569369495 /nfs/dbraw/zinc/36/94/95/569369495.db2.gz BHDUOPXVCWYBGG-UHFFFAOYSA-N 0 0 416.568 4.809 50 0 HJAARN Cc1cc(-n2c(C)cc(/C=C3/N=C(c4ccc(OC(C)C)cc4)OC3=O)c2C)no1 ZINC000027543653 569371975 /nfs/dbraw/zinc/37/19/75/569371975.db2.gz BBHOZYDOKHDHLU-UDWIEESQSA-N 0 0 405.454 4.522 50 0 HJAARN COC(=O)c1ccccc1NC(=O)COc1cc(C)c(Br)cc1C(C)C ZINC000002323484 569375286 /nfs/dbraw/zinc/37/52/86/569375286.db2.gz CXXBBSQZOVAFPR-UHFFFAOYSA-N 0 0 420.303 4.685 50 0 HJAARN CCOc1cc([C@@H]2NCc3cc(OCC)c(OCC)cc3-n3cccc32)ccc1OC ZINC000055008575 569375292 /nfs/dbraw/zinc/37/52/92/569375292.db2.gz ARBJEHCUMUOEKN-VWLOTQADSA-N 0 0 422.525 4.875 50 0 HJAARN CCCc1nc2ccccc2c(=O)n1-c1cc(Br)ccc1Br ZINC000002325364 569375421 /nfs/dbraw/zinc/37/54/21/569375421.db2.gz UJOYVFBNWYIRDH-UHFFFAOYSA-N 0 0 422.120 4.863 50 0 HJAARN CCc1ccc(-n2c(N)c(C(=O)NC3CCCCC3)c3nc4ccccc4nc32)cc1 ZINC000002352464 569383111 /nfs/dbraw/zinc/38/31/11/569383111.db2.gz UMXBJFDFUYJOEF-UHFFFAOYSA-N 0 0 413.525 4.781 50 0 HJAARN O=C(Nc1ccc(Cl)cc1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000018172934 569385607 /nfs/dbraw/zinc/38/56/07/569385607.db2.gz ZUTFLUFWFMZNQA-UHFFFAOYSA-N 0 0 419.234 4.761 50 0 HJAARN Cc1c(C)c(=O)oc2c(I)c(OCc3ccccc3)ccc12 ZINC000002364303 569387563 /nfs/dbraw/zinc/38/75/63/569387563.db2.gz WTKZQERIESCYLF-UHFFFAOYSA-N 0 0 406.219 4.593 50 0 HJAARN COCCn1c(C(=O)N[C@@H]2CCCc3c4cc(OC)ccc4[nH]c32)cc2ccccc21 ZINC000252510176 569387843 /nfs/dbraw/zinc/38/78/43/569387843.db2.gz ZDDDGFSZRJWWHJ-OAQYLSRUSA-N 0 0 417.509 4.585 50 0 HJAARN O=C(CCc1ccc2c(c1)CCO2)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000252500562 569387852 /nfs/dbraw/zinc/38/78/52/569387852.db2.gz SXVCLXYXAQNESX-QHCPKHFHSA-N 0 0 411.505 4.531 50 0 HJAARN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000002367926 569388174 /nfs/dbraw/zinc/38/81/74/569388174.db2.gz PUEFYNFQMJJIKG-UHFFFAOYSA-N 0 0 406.360 4.624 50 0 HJAARN O=C(/C=C/c1ccc2ccccc2n1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008709554 569390100 /nfs/dbraw/zinc/39/01/00/569390100.db2.gz UHPBTIQUOUWBSK-UFSNDUKISA-N 0 0 400.478 4.773 50 0 HJAARN O=C1c2ccccc2C(=O)N1CCc1csc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000008857440 569390626 /nfs/dbraw/zinc/39/06/26/569390626.db2.gz KMVHFUCVDZWXOZ-UHFFFAOYSA-N 0 0 417.412 4.744 50 0 HJAARN CC(C)c1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4cccc(F)c4)nc3C2)cc1 ZINC000002380737 569390688 /nfs/dbraw/zinc/39/06/88/569390688.db2.gz QPHDHDRNIAEWKP-SFHVURJKSA-N 0 0 403.457 4.904 50 0 HJAARN Cc1csc(NC(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)CCCC4)n1 ZINC000009111556 569391578 /nfs/dbraw/zinc/39/15/78/569391578.db2.gz RKNWGDXQMSITGY-UHFFFAOYSA-N 0 0 412.462 4.793 50 0 HJAARN CCCCc1ccc(NC(=O)COc2cc(C)cc3oc(=O)c4c(c23)CCC4)cc1 ZINC000002387895 569392379 /nfs/dbraw/zinc/39/23/79/569392379.db2.gz LAYRJEZQMUNBCK-UHFFFAOYSA-N 0 0 405.494 4.950 50 0 HJAARN CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1 ZINC000002390125 569392795 /nfs/dbraw/zinc/39/27/95/569392795.db2.gz PVFGJCPKWYSBBI-JOCHJYFZSA-N 0 0 415.445 4.839 50 0 HJAARN Cc1ccc(CN(C(=O)c2cc(=O)c3cc(C)c(Cl)cc3o2)c2ccccn2)o1 ZINC000027757685 569393256 /nfs/dbraw/zinc/39/32/56/569393256.db2.gz HMLPJIPXACWYHJ-UHFFFAOYSA-N 0 0 408.841 4.898 50 0 HJAARN CC(=O)OCc1c(Cl)cccc1-n1ncc2cc(C(C)(C)C)cc(F)c2c1=O ZINC000114215761 569393883 /nfs/dbraw/zinc/39/38/83/569393883.db2.gz KCFRSRYJBZLJBC-UHFFFAOYSA-N 0 0 402.853 4.539 50 0 HJAARN CCC(CC)COC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 ZINC000002393344 569394159 /nfs/dbraw/zinc/39/41/59/569394159.db2.gz MAFVYWOYHIODQI-UHFFFAOYSA-N 0 0 402.498 4.808 50 0 HJAARN O=C(Nc1nc2n(n1)[C@@H](c1ccccc1Cl)C[C@H](c1ccccc1)N2)c1ccco1 ZINC000002398370 569394727 /nfs/dbraw/zinc/39/47/27/569394727.db2.gz DFSMFAADKMMFOB-QZTJIDSGSA-N 0 0 419.872 4.923 50 0 HJAARN Cc1cccc(S(=O)(=O)c2c(N)n(C3CCCCC3)c3nc4ccccc4nc32)c1 ZINC000002402128 569395690 /nfs/dbraw/zinc/39/56/90/569395690.db2.gz QMYDLNMQZLCHBM-UHFFFAOYSA-N 0 0 420.538 4.813 50 0 HJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1F)N(c1cccc(C)n1)C3=O ZINC000002407187 569396238 /nfs/dbraw/zinc/39/62/38/569396238.db2.gz WIZPXIOHDDWXPG-OAQYLSRUSA-N 0 0 400.409 4.694 50 0 HJAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2cccc(Cl)c2)N1Cc1ccco1 ZINC000002409681 569396495 /nfs/dbraw/zinc/39/64/95/569396495.db2.gz HVKIZNNKQOYDFR-IBGZPJMESA-N 0 0 409.800 4.924 50 0 HJAARN CCCCc1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2-c2ncccc2C)n1 ZINC000027809989 569396690 /nfs/dbraw/zinc/39/66/90/569396690.db2.gz RVXMLVCGORUQPI-OAHLLOKOSA-N 0 0 421.526 4.668 50 0 HJAARN Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(C)cc2)s1 ZINC000002411584 569396843 /nfs/dbraw/zinc/39/68/43/569396843.db2.gz KYHXULXGWCJYBX-KRWDZBQOSA-N 0 0 423.881 4.665 50 0 HJAARN CCCCn1nc(NC(=O)c2cc(OC)cc(OC)c2)c2cc3ccccc3nc21 ZINC000002417743 569397467 /nfs/dbraw/zinc/39/74/67/569397467.db2.gz MSTMUPHVCDWWLP-UHFFFAOYSA-N 0 0 404.470 4.654 50 0 HJAARN COc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)c1 ZINC000002418197 569397480 /nfs/dbraw/zinc/39/74/80/569397480.db2.gz CQXYVHFEXFVALV-LJQANCHMSA-N 0 0 418.474 4.625 50 0 HJAARN O=C(Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C[C@@H](c1ccccc1)N2)c1ccco1 ZINC000002419200 569397582 /nfs/dbraw/zinc/39/75/82/569397582.db2.gz ADNPCRIESJVMON-ROUUACIJSA-N 0 0 419.872 4.923 50 0 HJAARN COCCCNc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 ZINC000002449038 569402221 /nfs/dbraw/zinc/40/22/21/569402221.db2.gz XASNCIZQJCFEDH-UHFFFAOYSA-N 0 0 424.526 4.799 50 0 HJAARN O=C(c1cc2c(c(Cl)c1)OCO2)N1CCc2sccc2[C@H]1c1cccs1 ZINC000007947946 569403042 /nfs/dbraw/zinc/40/30/42/569403042.db2.gz VDYQLEOUIKQZKE-KRWDZBQOSA-N 0 0 403.912 4.980 50 0 HJAARN COc1ccc2oc(-c3csc(NC(=O)c4cc(OC)ccc4OC)n3)cc2c1 ZINC000013006957 569406527 /nfs/dbraw/zinc/40/65/27/569406527.db2.gz BWAXYNLHSWLVOL-UHFFFAOYSA-N 0 0 410.451 4.834 50 0 HJAARN CN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000013146106 569409955 /nfs/dbraw/zinc/40/99/55/569409955.db2.gz MYBIWCKQGFIRRL-UHFFFAOYSA-N 0 0 423.900 4.641 50 0 HJAARN COc1ccc(-n2ccnc2SCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000013284026 569410397 /nfs/dbraw/zinc/41/03/97/569410397.db2.gz SAMIMDRQJRXUIK-UHFFFAOYSA-N 0 0 423.416 4.510 50 0 HJAARN CNC(=O)C1(c2ccc(NC(=O)c3ccc(Br)cc3)cc2)CCCCC1 ZINC000013350509 569411207 /nfs/dbraw/zinc/41/12/07/569411207.db2.gz WPSPBIYTRYGZQV-UHFFFAOYSA-N 0 0 415.331 4.649 50 0 HJAARN Cc1ccc(C)c(NC(=O)Nc2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)c1 ZINC000013359709 569411797 /nfs/dbraw/zinc/41/17/97/569411797.db2.gz BHHWVGVIPOMAKO-UHFFFAOYSA-N 0 0 421.522 4.699 50 0 HJAARN CCCNc1c2ccccc2oc(=O)c1NS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000013365196 569412244 /nfs/dbraw/zinc/41/22/44/569412244.db2.gz KIFFPSQRFVKELS-UHFFFAOYSA-N 0 0 400.500 4.539 50 0 HJAARN Cc1ccccc1OCC(=O)Nc1c(=O)oc2ccccc2c1NC1CCCCC1 ZINC000013364912 569412258 /nfs/dbraw/zinc/41/22/58/569412258.db2.gz HQVMDVFLOWQGEP-UHFFFAOYSA-N 0 0 406.482 4.864 50 0 HJAARN COc1cccc(CNC(=O)[C@@H](C)n2nc(-c3ccccc3)c3ccccc32)c1OC ZINC000013369697 569412612 /nfs/dbraw/zinc/41/26/12/569412612.db2.gz YGZXGOIBXDOIKU-QGZVFWFLSA-N 0 0 415.493 4.598 50 0 HJAARN C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2ncoc2-c2cccs2)C1 ZINC000078658473 569414611 /nfs/dbraw/zinc/41/46/11/569414611.db2.gz QHVNPHFQAMSWHO-GJZGRUSLSA-N 0 0 409.511 4.774 50 0 HJAARN CC(C)(C)c1csc(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCCC2)n1 ZINC000019358219 569420239 /nfs/dbraw/zinc/42/02/39/569420239.db2.gz YZLNQGWVQNKXCB-UHFFFAOYSA-N 0 0 410.543 4.519 50 0 HJAARN Cc1cc(N2CCCC2)ccc1NC(=O)CN1CCCN(C)c2ccc(Cl)cc21 ZINC000078876593 569421158 /nfs/dbraw/zinc/42/11/58/569421158.db2.gz UZNINPRCNZVHKJ-UHFFFAOYSA-N 0 0 412.965 4.534 50 0 HJAARN COc1ccc(-c2nc(NC(=O)c3cnn(-c4ccccc4C)c3)sc2C)cc1 ZINC000078989368 569422963 /nfs/dbraw/zinc/42/29/63/569422963.db2.gz ASHMXBVCAUDZSN-UHFFFAOYSA-N 0 0 404.495 4.874 50 0 HJAARN Cc1cc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)n(Cc2ccccn2)n1 ZINC000079026206 569424910 /nfs/dbraw/zinc/42/49/10/569424910.db2.gz CEKXYTFJRGPKPR-UHFFFAOYSA-N 0 0 415.478 4.757 50 0 HJAARN Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc4[nH]c(C(C)(C)C)nc4c3)cc2)co1 ZINC000079052771 569425669 /nfs/dbraw/zinc/42/56/69/569425669.db2.gz HQIFNICHLIUXCY-UHFFFAOYSA-N 0 0 410.499 4.625 50 0 HJAARN Cc1nc(CNC(=O)Cc2nc(-c3ccco3)oc2C)oc1-c1ccc(Cl)cc1 ZINC000079074114 569426999 /nfs/dbraw/zinc/42/69/99/569426999.db2.gz XUAIMFNSKBKDJJ-UHFFFAOYSA-N 0 0 411.845 4.719 50 0 HJAARN O=C(Nc1cccc(Cl)c1)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc21 ZINC000027534505 571049480 /nfs/dbraw/zinc/04/94/80/571049480.db2.gz HNDHZQTVHIACPW-UHFFFAOYSA-N 0 0 410.260 4.945 50 0 HJAARN CC[C@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccc(C)cc1Cl ZINC000067238904 571051424 /nfs/dbraw/zinc/05/14/24/571051424.db2.gz RKYITWIXWTVVPB-ZDUSSCGKSA-N 0 0 418.950 4.697 50 0 HJAARN Cc1cccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000067245636 571054018 /nfs/dbraw/zinc/05/40/18/571054018.db2.gz OPDCDYYGWVFMNJ-UHFFFAOYSA-N 0 0 420.943 4.787 50 0 HJAARN COc1cccc(CSc2nc3ccccc3c(=O)n2Cc2ccccc2OC)c1 ZINC000067258429 571057528 /nfs/dbraw/zinc/05/75/28/571057528.db2.gz CFGQCILRZZIXSU-UHFFFAOYSA-N 0 0 418.518 4.754 50 0 HJAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2cccc(F)c2)c(OC)c1 ZINC000067258904 571058152 /nfs/dbraw/zinc/05/81/52/571058152.db2.gz MVVQJOYMSWEYGY-UHFFFAOYSA-N 0 0 422.481 4.834 50 0 HJAARN Cc1ccc(CSc2ncc3c(n2)-c2cc(Cl)ccc2N(C)S3(=O)=O)cc1 ZINC000067260094 571059209 /nfs/dbraw/zinc/05/92/09/571059209.db2.gz DLHTXOLWEZPQKN-UHFFFAOYSA-N 0 0 417.943 4.536 50 0 HJAARN O=C(c1cnc2ccc(Cl)cc2c1NCc1ccccc1Cl)N1CCOCC1 ZINC000067288371 571066163 /nfs/dbraw/zinc/06/61/63/571066163.db2.gz GZZWUNYHIAYIRG-UHFFFAOYSA-N 0 0 416.308 4.626 50 0 HJAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4cccc(C)c4)nccn3n2)cc1 ZINC000067290366 571067342 /nfs/dbraw/zinc/06/73/42/571067342.db2.gz VYRBOWAKRIEIME-UHFFFAOYSA-N 0 0 418.522 4.834 50 0 HJAARN Cc1c(F)cccc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC[C@H]1CCCO1 ZINC000067293123 571068687 /nfs/dbraw/zinc/06/86/87/571068687.db2.gz WFSOOQAVTVFCNB-ZLXSMEDCSA-N 0 0 414.864 4.675 50 0 HJAARN O=C(NC[C@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1cc(F)ccc1F ZINC000067292929 571068694 /nfs/dbraw/zinc/06/86/94/571068694.db2.gz YHHUATHEMYIGCH-IAIVQWBNSA-N 0 0 418.827 4.506 50 0 HJAARN Cc1ccc(C)c(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)c1 ZINC000067292810 571068700 /nfs/dbraw/zinc/06/87/00/571068700.db2.gz DTMSPGMMHASTPN-FRXIXPCJSA-N 0 0 410.901 4.844 50 0 HJAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cc(F)cc(F)c3)oc21 ZINC000067295707 571070836 /nfs/dbraw/zinc/07/08/36/571070836.db2.gz DDILOYFTZBYZGU-VYIQYICTSA-N 0 0 421.403 4.908 50 0 HJAARN O=C(Nc1nccs1)c1cc2ccc(O)cc2o/c1=N\c1ccc(Cl)cc1F ZINC000067298152 571072202 /nfs/dbraw/zinc/07/22/02/571072202.db2.gz YMHCDBSGABZILW-NKFKGCMQSA-N 0 0 415.833 4.872 50 0 HJAARN CSc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)c1 ZINC000067299195 571073052 /nfs/dbraw/zinc/07/30/52/571073052.db2.gz PKCLLHMSOZKOJH-GYHWCHFESA-N 0 0 406.463 4.616 50 0 HJAARN CC[C@H](C)n1c(SCC(=O)N(CC)Cc2ccccc2)nc2ccsc2c1=O ZINC000067335168 571079550 /nfs/dbraw/zinc/07/95/50/571079550.db2.gz BSGPRWQNPXVCQV-HNNXBMFYSA-N 0 0 415.584 4.570 50 0 HJAARN Cc1ccccc1-c1noc([C@@H]2CCCN2S(=O)(=O)c2ccc3ccccc3c2)n1 ZINC000008570280 571082308 /nfs/dbraw/zinc/08/23/08/571082308.db2.gz RCIIBURYNCFBHQ-NRFANRHFSA-N 0 0 419.506 4.724 50 0 HJAARN Cc1ccccc1-c1noc([C@H]2CCCN2S(=O)(=O)c2ccc3ccccc3c2)n1 ZINC000008570281 571082339 /nfs/dbraw/zinc/08/23/39/571082339.db2.gz RCIIBURYNCFBHQ-OAQYLSRUSA-N 0 0 419.506 4.724 50 0 HJAARN Cc1cc(C)cc(O[C@H](C)C(=O)Nc2nonc2-c2ccc(Br)cc2)c1 ZINC000008587452 571083911 /nfs/dbraw/zinc/08/39/11/571083911.db2.gz PVQYWARBHVSASH-CYBMUJFWSA-N 0 0 416.275 4.522 50 0 HJAARN COc1ccc(CCNc2ncnc3onc(-c4ccc(Cl)cc4)c32)c(OC)c1 ZINC000008595380 571087615 /nfs/dbraw/zinc/08/76/15/571087615.db2.gz HHUOAPATVKMSNB-UHFFFAOYSA-N 0 0 410.861 4.610 50 0 HJAARN CN(C(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)c1ccc(F)cc1 ZINC000008604273 571091513 /nfs/dbraw/zinc/09/15/13/571091513.db2.gz IVONGHNARARCIF-UHFFFAOYSA-N 0 0 417.484 4.939 50 0 HJAARN CC1CCC(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)N2Cc2ccc(Cl)cc2)CC1 ZINC000008610043 571094000 /nfs/dbraw/zinc/09/40/00/571094000.db2.gz XDOHBLPMPARGGD-PXSGXWBPSA-N 0 0 424.972 4.992 50 0 HJAARN C[C@]1(C(=O)NC2CCCCC2)Cc2ccccc2C(=O)N1Cc1ccc(Cl)cc1 ZINC000008610004 571094039 /nfs/dbraw/zinc/09/40/39/571094039.db2.gz PEZHPOMRYILSDE-XMMPIXPASA-N 0 0 410.945 4.746 50 0 HJAARN Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(Cc1ccco1)[C@@H]3c1ccc(F)cc1 ZINC000008612861 571095117 /nfs/dbraw/zinc/09/51/17/571095117.db2.gz PLCAQJQZQOFKOJ-OAQYLSRUSA-N 0 0 403.409 4.887 50 0 HJAARN CC(C)Cn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1ccccc1F ZINC000008651404 571098467 /nfs/dbraw/zinc/09/84/67/571098467.db2.gz QIWSNCRWQCXHEC-AWEZNQCLSA-N 0 0 423.517 4.830 50 0 HJAARN c1csc(-c2noc(CSc3nnc(N4CCCCC4)n3-c3ccccc3)n2)c1 ZINC000008710818 571105154 /nfs/dbraw/zinc/10/51/54/571105154.db2.gz VHTGGIDRDIZEQO-UHFFFAOYSA-N 0 0 424.555 4.661 50 0 HJAARN O=c1c2cc(Br)ccc2nc(SCc2ccccn2)n1-c1ccccc1 ZINC000008747144 571111387 /nfs/dbraw/zinc/11/13/87/571111387.db2.gz DTTYZLKBXPMLGN-UHFFFAOYSA-N 0 0 424.323 4.836 50 0 HJAARN O[C@]1(C(F)(F)F)CC(c2ccc(Cl)cc2)=NN1c1nc(-c2ccccn2)cs1 ZINC000008755852 571113675 /nfs/dbraw/zinc/11/36/75/571113675.db2.gz AUESQXDJBOKOAP-KRWDZBQOSA-N 0 0 424.835 4.724 50 0 HJAARN Cc1cccc(N2CCN3c4cc(Cl)ccc4CC4(C(=O)CCCC4=O)[C@@H]3C2)c1C ZINC000008773626 571117652 /nfs/dbraw/zinc/11/76/52/571117652.db2.gz OCWRNCNDOIJVSL-QFIPXVFZSA-N 0 0 422.956 4.517 50 0 HJAARN Cc1cc(-c2csc(Nc3cc(C)ccc3C)n2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000008780109 571118894 /nfs/dbraw/zinc/11/88/94/571118894.db2.gz AMZKBCMLABEDTL-KRWDZBQOSA-N 0 0 415.584 4.948 50 0 HJAARN COc1ccc(CC(=O)Nc2nnc(S[C@@H](C)c3ccccc3)s2)cc1OC ZINC000008794618 571120207 /nfs/dbraw/zinc/12/02/07/571120207.db2.gz YIWIOKDKHUNTMO-ZDUSSCGKSA-N 0 0 415.540 4.590 50 0 HJAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCc1ccncc1)occ3-c1ccccc1 ZINC000008792051 571120216 /nfs/dbraw/zinc/12/02/16/571120216.db2.gz VPDCKDSBIFYAFF-UHFFFAOYSA-N 0 0 424.456 4.769 50 0 biogenic HJAARN Cc1ccc(S(=O)(=O)Nc2c(=O)[nH]c3ccc(C)cc3c2-c2ccccc2)cc1 ZINC000008818204 571121355 /nfs/dbraw/zinc/12/13/55/571121355.db2.gz KBLCTPBNDWAFQQ-UHFFFAOYSA-N 0 0 404.491 4.613 50 0 HJAARN O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nc1ccc(F)c(F)c1F ZINC000008825287 571122012 /nfs/dbraw/zinc/12/20/12/571122012.db2.gz VLFLITJRSKEGBU-UHFFFAOYSA-N 0 0 413.471 4.811 50 0 HJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc2snnc2c1 ZINC000008843834 571124661 /nfs/dbraw/zinc/12/46/61/571124661.db2.gz JPVKIJKXGNVELC-UHFFFAOYSA-N 0 0 409.492 4.849 50 0 HJAARN COc1cc(CSc2nc(CC(=O)Nc3cccc(F)c3)cs2)cc(OC)c1 ZINC000008853705 571127468 /nfs/dbraw/zinc/12/74/68/571127468.db2.gz ACPRUNOSRAJBST-UHFFFAOYSA-N 0 0 418.515 4.773 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccccc1C(=O)c1cccs1 ZINC000008855702 571127787 /nfs/dbraw/zinc/12/77/87/571127787.db2.gz ZXABFAZGKJBZRS-UHFFFAOYSA-N 0 0 415.518 4.712 50 0 HJAARN CCOC(=O)c1c([C@H]2COc3ccccc3O2)csc1NC(=O)Cc1ccccc1 ZINC000008861335 571128634 /nfs/dbraw/zinc/12/86/34/571128634.db2.gz CDQDYPVZMKGBNG-LJQANCHMSA-N 0 0 423.490 4.619 50 0 HJAARN COc1cccc(-c2cc(OC(=O)COc3ccc(C)cc3)cc3sc(=O)oc32)c1 ZINC000008867338 571129361 /nfs/dbraw/zinc/12/93/61/571129361.db2.gz DMGWYOACBIIOTC-UHFFFAOYSA-N 0 0 422.458 4.823 50 0 HJAARN CC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccc(Br)cc3)cc21 ZINC000008870301 571130130 /nfs/dbraw/zinc/13/01/30/571130130.db2.gz FHZKLIIMHLWEND-UHFFFAOYSA-N 0 0 422.300 4.816 50 0 HJAARN CC(C)[C@@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1nc2ccccc2[nH]1 ZINC000068785516 571134876 /nfs/dbraw/zinc/13/48/76/571134876.db2.gz KYBKPYPWDONTIU-FZKQIMNGSA-N 0 0 416.319 4.606 50 0 HJAARN COc1ccc(OC)c([C@@H](C)NC(=O)c2c(C)onc2-c2c(F)cccc2Cl)c1 ZINC000039981688 571136033 /nfs/dbraw/zinc/13/60/33/571136033.db2.gz OXQJPMMCQJKTOU-LLVKDONJSA-N 0 0 418.852 4.951 50 0 HJAARN c1nc2sc3c(c2c(Sc2nnc(NC[C@@H]4CCCO4)s2)n1)CCCCC3 ZINC000040004984 571137536 /nfs/dbraw/zinc/13/75/36/571137536.db2.gz WILFLENNBAXXBX-NSHDSACASA-N 0 0 419.601 4.554 50 0 HJAARN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000040005295 571137675 /nfs/dbraw/zinc/13/76/75/571137675.db2.gz LXRIFSZLYGIDHV-LBPRGKRZSA-N 0 0 408.260 4.783 50 0 HJAARN Cc1ccc(N(Cc2ccco2)C(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)cc1 ZINC000040059550 571146258 /nfs/dbraw/zinc/14/62/58/571146258.db2.gz GQWYHSUYKVDFTG-SFHVURJKSA-N 0 0 408.523 4.735 50 0 HJAARN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000040059704 571146657 /nfs/dbraw/zinc/14/66/57/571146657.db2.gz BPZOLOJDWNYSJT-LJQANCHMSA-N 0 0 423.516 4.827 50 0 HJAARN CCCc1ccc([C@@H](NC(=O)c2cnc3ccc(C)cn3c2=O)c2cccs2)cc1 ZINC000040059866 571146911 /nfs/dbraw/zinc/14/69/11/571146911.db2.gz PRDRQHOHNSLRDF-JOCHJYFZSA-N 0 0 417.534 4.536 50 0 HJAARN O=C(COc1ccc(Oc2ccccn2)cc1)N[C@H](c1ccccc1)c1ccncc1 ZINC000040060261 571147212 /nfs/dbraw/zinc/14/72/12/571147212.db2.gz JJLGPIYXQJJIDA-RUZDIDTESA-N 0 0 411.461 4.554 50 0 HJAARN O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1cccc(CN2CCCC2=O)c1 ZINC000040068307 571148954 /nfs/dbraw/zinc/14/89/54/571148954.db2.gz DERUTQJVAAZHDO-UHFFFAOYSA-N 0 0 418.468 4.779 50 0 HJAARN C[C@@H](NC(=O)N(C)Cc1ccccc1C(F)(F)F)c1ccc(-n2ccnc2)cc1 ZINC000040068790 571149003 /nfs/dbraw/zinc/14/90/03/571149003.db2.gz DDGVZXWMBLPWIZ-OAHLLOKOSA-N 0 0 402.420 4.794 50 0 HJAARN COc1cc(C(=O)N(C)Cc2ccc(Cl)s2)ccc1OCc1cscn1 ZINC000040069636 571149898 /nfs/dbraw/zinc/14/98/98/571149898.db2.gz UXFSKBCRIUFQDF-UHFFFAOYSA-N 0 0 408.932 4.718 50 0 HJAARN CCOc1ccc(-c2noc(CCC(=O)N(Cc3ccco3)c3ccccc3)n2)cc1 ZINC000040069721 571150304 /nfs/dbraw/zinc/15/03/04/571150304.db2.gz TXHYILDDMRVNJV-UHFFFAOYSA-N 0 0 417.465 4.894 50 0 HJAARN CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(OCC)c(OCC)c1 ZINC000008917082 571152978 /nfs/dbraw/zinc/15/29/78/571152978.db2.gz AZZQPBOXJIBVGV-JOCHJYFZSA-N 0 0 421.493 4.854 50 0 HJAARN CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC)cc1OCC ZINC000008917248 571153215 /nfs/dbraw/zinc/15/32/15/571153215.db2.gz RGVRQWSXPZVZRE-OAQYLSRUSA-N 0 0 407.466 4.546 50 0 HJAARN Cc1nc2cc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc(Cl)c(Cl)c3)ccc2o1 ZINC000040079759 571154935 /nfs/dbraw/zinc/15/49/35/571154935.db2.gz QLPVNTKZBAVIJR-KRWDZBQOSA-N 0 0 418.280 4.686 50 0 HJAARN Cc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1NC(=O)c1ccccc1 ZINC000040086876 571157341 /nfs/dbraw/zinc/15/73/41/571157341.db2.gz XVFPAGWDWGWNHO-UHFFFAOYSA-N 0 0 402.494 4.965 50 0 HJAARN CSc1nnc(CCCNC(=O)c2cc3cc(F)ccc3s2)n1C1CCCC1 ZINC000008922852 571158931 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CC[C@H](C)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1 ZINC000032903709 522038764 /nfs/dbraw/zinc/03/87/64/522038764.db2.gz ZLQXJWGXMXEXFX-MAUKXSAKSA-N 0 0 420.600 4.609 50 0 HJAARN COc1cc(CNC(=O)Cc2csc(-c3ccco3)n2)ccc1OCCC(C)C ZINC000032930835 522414514 /nfs/dbraw/zinc/41/45/14/522414514.db2.gz RPQZMCBSVPYIPI-UHFFFAOYSA-N 0 0 414.527 4.696 50 0 HJAARN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c(-n2cnnc2)c1 ZINC000032646821 522429983 /nfs/dbraw/zinc/42/99/83/522429983.db2.gz KRWNIJQDUNVWSB-CQSZACIVSA-N 0 0 418.419 4.817 50 0 HJAARN COc1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1NC(=O)c1ccco1 ZINC000020096495 522646155 /nfs/dbraw/zinc/64/61/55/522646155.db2.gz KTQKUGITSZFUEC-UHFFFAOYSA-N 0 0 404.466 4.991 50 0 HJAARN COc1cc(NC(=O)c2ccccc2)cc2sc(NC(=O)c3ccccc3)nc21 ZINC000032961323 522729238 /nfs/dbraw/zinc/72/92/38/522729238.db2.gz ZFXKYDDNYVTXIS-UHFFFAOYSA-N 0 0 403.463 4.810 50 0 HJAARN COc1ccc(-c2cc(NC(=O)c3cccc(C)c3)n(-c3ccccn3)n2)cc1OC ZINC000041155891 523111618 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COc1ccccc1Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2C)C1 ZINC000040251444 524520534 /nfs/dbraw/zinc/52/05/34/524520534.db2.gz LFNLDHICVNQOSC-HXUWFJFHSA-N 0 0 411.505 4.922 50 0 HJAARN COc1ccccc1N1CCN(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000032862949 524548111 /nfs/dbraw/zinc/54/81/11/524548111.db2.gz LCERYRXWKYFDAY-AWEZNQCLSA-N 0 0 408.329 4.595 50 0 HJAARN Cc1cccc(N2CCN(C(=O)c3cc(-c4cccc5ccccc54)n[nH]3)CC2)c1C ZINC000044838776 524549285 /nfs/dbraw/zinc/54/92/85/524549285.db2.gz AMDRPFWEYWNQCP-UHFFFAOYSA-N 0 0 410.521 4.809 50 0 HJAARN Cc1ccc(CNC(=O)c2csc(NC(=O)c3ccc(Cl)c(Cl)c3)n2)o1 ZINC000040355521 524568620 /nfs/dbraw/zinc/56/86/20/524568620.db2.gz YPRGCTWFDBAIJL-UHFFFAOYSA-N 0 0 410.282 4.534 50 0 HJAARN COc1ccc(N[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1OC(F)F ZINC000025457339 524701536 /nfs/dbraw/zinc/70/15/36/524701536.db2.gz AZOFHEWRUYRENR-HNNXBMFYSA-N 0 0 419.472 4.726 50 0 HJAARN Cc1cccc(Oc2nccnc2N2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)c1 ZINC000033142043 524789395 /nfs/dbraw/zinc/78/93/95/524789395.db2.gz MMLXEQHPQWLKPW-IBGZPJMESA-N 0 0 416.525 4.671 50 0 HJAARN COc1ccc(OC)c(-n2cnc3c2NC(=O)C[C@H]3c2ccc(OC(C)C)cc2)c1 ZINC000040283616 524797348 /nfs/dbraw/zinc/79/73/48/524797348.db2.gz TXRNDGKREHSMBO-SFHVURJKSA-N 0 0 407.470 4.800 50 0 HJAARN Cc1ccc(N2CCN(C(=O)c3c4ccccc4nnc3-c3ccccc3)CC2)c(C)c1 ZINC000032953183 524960548 /nfs/dbraw/zinc/96/05/48/524960548.db2.gz QXICSLHZSRMKKP-UHFFFAOYSA-N 0 0 422.532 4.876 50 0 HJAARN C[C@H](NC(=O)COc1ccccc1Cl)c1cccc(NC(=O)c2ccccc2)c1 ZINC000032925165 524971863 /nfs/dbraw/zinc/97/18/63/524971863.db2.gz IIHYUPSOBVPUEB-INIZCTEOSA-N 0 0 408.885 4.849 50 0 HJAARN Cc1cc(F)ccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000032579542 524989135 /nfs/dbraw/zinc/98/91/35/524989135.db2.gz UAECSKRMXFSOBM-UHFFFAOYSA-N 0 0 419.485 4.508 50 0 HJAARN COc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2cccc3ccccc32)C1 ZINC000035538894 524989517 /nfs/dbraw/zinc/98/95/17/524989517.db2.gz WRPQOLTUGJSVNX-SFHVURJKSA-N 0 0 412.493 4.647 50 0 HJAARN Cc1ccccc1-c1csc2c1ncn(Cc1ccc(N3CCCC3=O)cc1)c2=O ZINC000044166975 525008650 /nfs/dbraw/zinc/00/86/50/525008650.db2.gz JBHCFMRMPFUJKO-UHFFFAOYSA-N 0 0 415.518 4.609 50 0 HJAARN C[C@H]1Oc2ccc(NC(=O)c3ccc(OCc4ccccc4Cl)cc3)cc2NC1=O ZINC000032624498 525061983 /nfs/dbraw/zinc/06/19/83/525061983.db2.gz ZIOKRPBZMJOCEU-CQSZACIVSA-N 0 0 422.868 4.891 50 0 HJAARN Cc1ccc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1F ZINC000032578558 525068496 /nfs/dbraw/zinc/06/84/96/525068496.db2.gz QYJLZKSHINUPRI-UHFFFAOYSA-N 0 0 403.413 4.869 50 0 HJAARN Cc1ccc(NC(=O)N2CCC(n3c4ncccc4nc3C(F)(F)F)CC2)cc1F ZINC000032949972 525121439 /nfs/dbraw/zinc/12/14/39/525121439.db2.gz JOFXNEHLCVWMCT-UHFFFAOYSA-N 0 0 421.398 4.767 50 0 HJAARN CS(=O)(=O)c1cc(C(=O)Nc2ccc(Nc3ccccc3)cc2)ccc1Cl ZINC000032754780 525239284 /nfs/dbraw/zinc/23/92/84/525239284.db2.gz DRZGLPVDDAVZIT-UHFFFAOYSA-N 0 0 400.887 4.739 50 0 HJAARN COc1ccc([C@H](C)NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)cc1F ZINC000032714441 525314860 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ZINC000006668277 557713157 /nfs/dbraw/zinc/71/31/57/557713157.db2.gz NFCZQUWAWYGQEJ-UHFFFAOYSA-N 0 0 402.494 4.835 50 0 HJAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)Nc2ccc(OCC)cc2)c1C ZINC000006804988 557722102 /nfs/dbraw/zinc/72/21/02/557722102.db2.gz KRWMSWSROSMTEE-UHFFFAOYSA-N 0 0 420.509 4.986 50 0 HJAARN Clc1ccc(CCNc2nc3ccccc3c3nc(-c4ccncc4)nn32)cc1 ZINC000006805470 557722717 /nfs/dbraw/zinc/72/27/17/557722717.db2.gz UMCGRLUEFOXGED-UHFFFAOYSA-N 0 0 400.873 4.648 50 0 HJAARN COc1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4s3)ccc2OC)cc1 ZINC000006973840 557731775 /nfs/dbraw/zinc/73/17/75/557731775.db2.gz CYXNCVKYGXHBBU-UHFFFAOYSA-N 0 0 420.490 4.998 50 0 HJAARN Cc1ccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2ccccc2)C3=O)cc1F ZINC000006997033 557732655 /nfs/dbraw/zinc/73/26/55/557732655.db2.gz IXNIICQIVOEAIR-DEOSSOPVSA-N 0 0 418.493 4.614 50 0 HJAARN CCc1cccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2ccccc2)C3=O)c1 ZINC000006997074 557732713 /nfs/dbraw/zinc/73/27/13/557732713.db2.gz VWBCYSRWOWRBBT-VWLOTQADSA-N 0 0 414.530 4.729 50 0 HJAARN O=C(N[C@H](Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1)c1ccc(F)cc1 ZINC000002682442 557739936 /nfs/dbraw/zinc/73/99/36/557739936.db2.gz YTBMKVWWMBSRMN-FQEVSTJZSA-N 0 0 416.374 4.895 50 0 HJAARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2Cl)N2C(=O)[C@H](C)SC2=N1 ZINC000002701711 557742514 /nfs/dbraw/zinc/74/25/14/557742514.db2.gz YQXRMLNCJYTHIF-ZUZCIYMTSA-N 0 0 413.326 4.594 50 0 HJAARN Cc1ccc(CN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2cccc(O)c2)cc1 ZINC000002704525 557743489 /nfs/dbraw/zinc/74/34/89/557743489.db2.gz QGNNASAUWHBAJT-QFIPXVFZSA-N 0 0 415.420 4.692 50 0 HJAARN COc1ccccc1C(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccccc1F ZINC000002721356 557747627 /nfs/dbraw/zinc/74/76/27/557747627.db2.gz VPDRFVNEJLZVCY-MRXNPFEDSA-N 0 0 403.457 4.723 50 0 HJAARN Cc1ccc(C(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@@H]2c2ccc(F)cc2)cc1 ZINC000002724540 557753033 /nfs/dbraw/zinc/75/30/33/557753033.db2.gz VTCZMCYHTCYZMG-QFIPXVFZSA-N 0 0 408.860 4.971 50 0 HJAARN CCc1nnc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc32)s1 ZINC000002745970 557756798 /nfs/dbraw/zinc/75/67/98/557756798.db2.gz LNPUGEUQXBUPIH-UHFFFAOYSA-N 0 0 420.494 4.585 50 0 HJAARN Cc1sc(NC(=O)COC(=O)c2cc(C)nc3ccccc32)nc1-c1ccccc1 ZINC000002783829 557758757 /nfs/dbraw/zinc/75/87/57/557758757.db2.gz QOPDHIUMKRZMJT-UHFFFAOYSA-N 0 0 417.490 4.771 50 0 HJAARN CCn1cc(-c2cc(C(=O)Nc3ccc(Br)cn3)c3ccccc3n2)cn1 ZINC000002804733 557763616 /nfs/dbraw/zinc/76/36/16/557763616.db2.gz OPCGLMXVSCKVGZ-UHFFFAOYSA-N 0 0 422.286 4.528 50 0 HJAARN Cc1ccc(CONC(=O)c2ccc(COc3ccccc3Br)o2)cc1 ZINC000002794009 557764802 /nfs/dbraw/zinc/76/48/02/557764802.db2.gz FDOLXCLRVDQLDM-UHFFFAOYSA-N 0 0 416.271 4.791 50 0 HJAARN O=C(Nc1ccc2c(c1)CCC2)c1ccn(COc2c(Cl)cccc2Cl)n1 ZINC000002794458 557765115 /nfs/dbraw/zinc/76/51/15/557765115.db2.gz PSSVQRSBEXHIKP-UHFFFAOYSA-N 0 0 402.281 4.967 50 0 HJAARN CCOc1ccc(CCNC(=O)CCCc2cn(C)c3ccccc23)cc1OCC ZINC000002912754 557769678 /nfs/dbraw/zinc/76/96/78/557769678.db2.gz UNUFQGDOJUZWRB-UHFFFAOYSA-N 0 0 408.542 4.657 50 0 HJAARN COc1cccc(OC)c1C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000008168682 557774253 /nfs/dbraw/zinc/77/42/53/557774253.db2.gz WIAHRTWXPPMTRU-UHFFFAOYSA-N 0 0 410.857 4.862 50 0 HJAARN O=c1/c(=C/c2cccc(OCc3ccc(Cl)cc3)c2)sc2nc3ccccc3n12 ZINC000008425944 557787705 /nfs/dbraw/zinc/78/77/05/557787705.db2.gz JURDEIMJWCQWOP-BKUYFWCQSA-N 0 0 418.905 4.689 50 0 HJAARN Cc1ccc(N2C[C@H](C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)CC2=O)cc1 ZINC000008473822 557792322 /nfs/dbraw/zinc/79/23/22/557792322.db2.gz MFQYZKHIYDUDAK-OAHLLOKOSA-N 0 0 411.914 4.764 50 0 HJAARN C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2coc(-c3ccccc3)n2)C1=O ZINC000022705445 557795784 /nfs/dbraw/zinc/79/57/84/557795784.db2.gz QGOJUVKBHZKLSQ-HXUWFJFHSA-N 0 0 416.264 4.616 50 0 HJAARN O=C(CCc1cnn(-c2ccccc2)c1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000008744910 557804661 /nfs/dbraw/zinc/80/46/61/557804661.db2.gz DQVWVTYRXZCSTP-HXUWFJFHSA-N 0 0 402.523 4.778 50 0 HJAARN Cc1ccc(NC(=O)C2CCC2)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 ZINC000008746764 557805222 /nfs/dbraw/zinc/80/52/22/557805222.db2.gz IFQYRAGSTGKNKL-UHFFFAOYSA-N 0 0 412.433 4.553 50 0 HJAARN O=C(Nc1nnc(COc2ccccc2Cl)s1)C12CC3CC(CC(C3)C1)C2 ZINC000008769064 557806271 /nfs/dbraw/zinc/80/62/71/557806271.db2.gz MSBGGIVSTXKVRY-UHFFFAOYSA-N 0 0 403.935 4.925 50 0 HJAARN CC(=O)c1cccc(NC(=O)c2c(=O)[nH]nc(-c3ccccc3)c2-c2ccccc2)c1 ZINC000008844043 557811724 /nfs/dbraw/zinc/81/17/24/557811724.db2.gz PTYSNNXSYLNADS-UHFFFAOYSA-N 0 0 409.445 4.971 50 0 HJAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CCc1ccccc1)CC2 ZINC000022766654 557814695 /nfs/dbraw/zinc/81/46/95/557814695.db2.gz GIOXRLYVQDQFDA-AREMUKBSSA-N 0 0 401.506 4.811 50 0 biogenic HJAARN CC(C)c1ccc(CN2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 ZINC000022776538 557816843 /nfs/dbraw/zinc/81/68/43/557816843.db2.gz CAUSKNMTDJQOOY-UHFFFAOYSA-N 0 0 419.491 4.585 50 0 HJAARN COc1cc([C@@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)ccc1O ZINC000009171906 557825194 /nfs/dbraw/zinc/82/51/94/557825194.db2.gz WRRYPSKSUFRAEI-IBGZPJMESA-N 0 0 411.461 4.728 50 0 HJAARN CC(C)C(=O)Nc1cccc(C(=O)Nc2nnc(CSc3ccccc3)s2)c1 ZINC000009196882 557827856 /nfs/dbraw/zinc/82/78/56/557827856.db2.gz FAVQGMJZEBQWBU-UHFFFAOYSA-N 0 0 412.540 4.677 50 0 HJAARN O=C(Nc1ccccc1-c1ccccc1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000009225099 557830197 /nfs/dbraw/zinc/83/01/97/557830197.db2.gz SHDHJAUBRIMSQA-UHFFFAOYSA-N 0 0 422.440 4.995 50 0 HJAARN COc1ccc(NC(=O)c2cnn3c2N[C@H](c2cccs2)C[C@@H]3C(F)(F)F)cc1 ZINC000009410413 557841562 /nfs/dbraw/zinc/84/15/62/557841562.db2.gz BACLCLWSXIOKNZ-GOEBONIOSA-N 0 0 422.432 4.866 50 0 HJAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4cccs4)cc3N2)cc1 ZINC000009436004 557843192 /nfs/dbraw/zinc/84/31/92/557843192.db2.gz RJQUSHOXJSCGPG-RDJZCZTQSA-N 0 0 420.460 4.843 50 0 HJAARN COc1cccc(-n2c(N)c(-c3nc4ccccc4n3C)c3nc4ccccc4nc32)c1 ZINC000009541032 557845424 /nfs/dbraw/zinc/84/54/24/557845424.db2.gz JUNNGYHZHJJMPY-UHFFFAOYSA-N 0 0 420.476 4.718 50 0 HJAARN COc1cc(SC)ccc1C(=O)Nc1ccccc1C(=O)N(C)Cc1ccccc1 ZINC000009698611 557848772 /nfs/dbraw/zinc/84/87/72/557848772.db2.gz RKXYQPDVQFNMDU-UHFFFAOYSA-N 0 0 420.534 4.942 50 0 HJAARN Clc1ccc(OCc2nnc3sc(CCc4ccccc4)nn23)c(Cl)c1 ZINC000010312212 557859175 /nfs/dbraw/zinc/85/91/75/557859175.db2.gz LNQUXEACLFXAFW-UHFFFAOYSA-N 0 0 405.310 4.857 50 0 HJAARN Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(N(C)C)cc3)c(Cl)c12 ZINC000004330334 558260979 /nfs/dbraw/zinc/26/09/79/558260979.db2.gz NXYMHJCSGJRZON-UHFFFAOYSA-N 0 0 405.889 4.701 50 0 HJAARN CSc1ccccc1C(=O)[C@H]1CCCN(Cc2sc(N(C)C)nc2Cl)C1 ZINC000019743629 558264227 /nfs/dbraw/zinc/26/42/27/558264227.db2.gz POJKAUZZNUEHTR-ZDUSSCGKSA-N 0 0 410.008 4.679 50 0 HJAARN O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000011753429 558272318 /nfs/dbraw/zinc/27/23/18/558272318.db2.gz AONUFVILQFSRGJ-QGZVFWFLSA-N 0 0 421.419 4.585 50 0 HJAARN Cc1cccc(-c2cccc(NC(=O)[C@@H]3CCCN(C(=O)c4cccc(C)n4)C3)c2)c1 ZINC000011767815 558274068 /nfs/dbraw/zinc/27/40/68/558274068.db2.gz CFFLSMNOYOEEQP-JOCHJYFZSA-N 0 0 413.521 4.856 50 0 HJAARN c1c(-c2ccc(-c3ccccc3)cc2)nc2n1c1ccccc1n2CCN1CCOCC1 ZINC000019757173 558274822 /nfs/dbraw/zinc/27/48/22/558274822.db2.gz WDTBSLLEZWATIH-UHFFFAOYSA-N 0 0 422.532 4.955 50 0 HJAARN O=C(/C=C/c1ccc(F)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019760259 558276253 /nfs/dbraw/zinc/27/62/53/558276253.db2.gz BBLNETKIKRXGAT-DTQAZKPQSA-N 0 0 400.497 4.773 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)c2ccccc2C)C1 ZINC000011816523 558279853 /nfs/dbraw/zinc/27/98/53/558279853.db2.gz AKAAUBGFJQNVHF-KRWDZBQOSA-N 0 0 414.933 4.928 50 0 HJAARN FC(F)(F)c1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC000019781790 558281123 /nfs/dbraw/zinc/28/11/23/558281123.db2.gz RCKATCQQUOVUCF-UHFFFAOYSA-N 0 0 413.281 4.786 50 0 HJAARN O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1 ZINC000019791403 558282786 /nfs/dbraw/zinc/28/27/86/558282786.db2.gz JLDSCBGMMWJKRU-XMMPIXPASA-N 0 0 402.563 4.864 50 0 HJAARN CC(=O)c1cccc(OCc2cc(C(=O)N[C@@H](c3ccco3)c3ccccc3)no2)c1 ZINC000011879907 558294431 /nfs/dbraw/zinc/29/44/31/558294431.db2.gz BWVKRDHIOLLGPA-HSZRJFAPSA-N 0 0 416.433 4.569 50 0 HJAARN C[C@@](O)(COc1ccccc1)c1ccc2c(c1)CN(Cc1cccc(F)c1)CCO2 ZINC000011880241 558294699 /nfs/dbraw/zinc/29/46/99/558294699.db2.gz CNHITAABIKQMMM-RUZDIDTESA-N 0 0 407.485 4.507 50 0 HJAARN O=C(c1ccc2oc(CCCc3ccccc3)nc2c1)N1CCC[C@@H](CCCO)C1 ZINC000011880112 558294734 /nfs/dbraw/zinc/29/47/34/558294734.db2.gz SVVNKEFPABQNAE-FQEVSTJZSA-N 0 0 406.526 4.628 50 0 HJAARN Cc1cccc(-c2cccc(C(=O)NC[C@H]3Cc4cccc(-c5cncnc5)c4O3)c2)c1 ZINC000011880535 558295026 /nfs/dbraw/zinc/29/50/26/558295026.db2.gz RZLIDOPBOMCANS-XMMPIXPASA-N 0 0 421.500 4.853 50 0 HJAARN CC(C)N1CCc2nc3sc(C(=O)Nc4ccc(Cl)cc4)c(N)c3cc2C1 ZINC000019874724 558299964 /nfs/dbraw/zinc/29/99/64/558299964.db2.gz VKLNMQGQQIOKJD-UHFFFAOYSA-N 0 0 400.935 4.551 50 0 HJAARN Cc1ccc(S/C=C(\NC(=O)C(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000019893361 558303528 /nfs/dbraw/zinc/30/35/28/558303528.db2.gz QKSOVFHNKVLKOP-XMHGGMMESA-N 0 0 403.569 4.831 50 0 HJAARN Cc1c2cc(C)ccc2oc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000019901881 558305278 /nfs/dbraw/zinc/30/52/78/558305278.db2.gz CYEMAOIVPLAFQE-HXUWFJFHSA-N 0 0 412.917 4.506 50 0 HJAARN O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCN(CCc2ccccn2)CC1 ZINC000019901954 558305416 /nfs/dbraw/zinc/30/54/16/558305416.db2.gz HBWCPZLSYAMRLN-UHFFFAOYSA-N 0 0 420.365 4.604 50 0 HJAARN Cc1cc(C)n(-c2ccc(NC(=O)C3CCN(C(=O)CC4=CCCCC4)CC3)cc2)n1 ZINC000012054937 558315377 /nfs/dbraw/zinc/31/53/77/558315377.db2.gz MHCFWPYERFQDAZ-UHFFFAOYSA-N 0 0 420.557 4.557 50 0 HJAARN O=C(c1cn(C(c2ccccc2)c2ccccc2)nn1)N1CC[C@H](C2CCCCC2)C1 ZINC000012073837 558318690 /nfs/dbraw/zinc/31/86/90/558318690.db2.gz MYCCUJCJLWFEPW-QHCPKHFHSA-N 0 0 414.553 4.958 50 0 HJAARN O=C(c1cn(CCCc2ccccc2)nn1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000012075046 558319361 /nfs/dbraw/zinc/31/93/61/558319361.db2.gz MXQLTGXMCPLOIW-HSZRJFAPSA-N 0 0 402.542 4.538 50 0 HJAARN O=C(c1cn(CCCc2ccccc2)nn1)N1CCCC[C@H]1CCc1ccccc1 ZINC000012075049 558319456 /nfs/dbraw/zinc/31/94/56/558319456.db2.gz MXQLTGXMCPLOIW-QHCPKHFHSA-N 0 0 402.542 4.538 50 0 HJAARN COc1ccccc1CNc1ncnc2sc(C(=O)N3CCCC[C@@H]3C)c(C)c21 ZINC000012079862 558320613 /nfs/dbraw/zinc/32/06/13/558320613.db2.gz SRQYLVLBWLQZLE-AWEZNQCLSA-N 0 0 410.543 4.635 50 0 HJAARN O=C(Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1)c1sc2ccccc2c1Cl ZINC000012138582 558334368 /nfs/dbraw/zinc/33/43/68/558334368.db2.gz FSYNJEXWPORFJO-HNNXBMFYSA-N 0 0 414.914 4.716 50 0 HJAARN CCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4cccnc4)=NN32)cc1 ZINC000012196176 558349607 /nfs/dbraw/zinc/34/96/07/558349607.db2.gz RDLMHPQQKYHADS-QPPBQGQZSA-N 0 0 401.466 4.731 50 0 HJAARN Cc1ncsc1CCCNC(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12 ZINC000012208168 558353298 /nfs/dbraw/zinc/35/32/98/558353298.db2.gz SBOWGSWDBVITAF-UHFFFAOYSA-N 0 0 416.959 4.844 50 0 HJAARN O=C(CC1=CCCCC1)N1CCC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000012300260 558370105 /nfs/dbraw/zinc/37/01/05/558370105.db2.gz AWPJOLIRCXPIOB-IBGZPJMESA-N 0 0 414.977 4.617 50 0 HJAARN CC(C)c1cc(CN2CCC[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)[nH]n1 ZINC000012302222 558371786 /nfs/dbraw/zinc/37/17/86/558371786.db2.gz ONDAFLVISSPMQQ-FQEVSTJZSA-N 0 0 416.569 4.842 50 0 HJAARN COc1ccc2cc(C(=O)N3CCC[C@@H](C(=O)c4ccccc4SC)C3)n(C)c2c1 ZINC000012304156 558373388 /nfs/dbraw/zinc/37/33/88/558373388.db2.gz HMQZSJOPFBVBLA-QGZVFWFLSA-N 0 0 422.550 4.644 50 0 HJAARN CN(CC[C@@H](O)c1ccccc1)C(=O)c1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000012303947 558373430 /nfs/dbraw/zinc/37/34/30/558373430.db2.gz NDFXQVZBLWMMRX-OAQYLSRUSA-N 0 0 404.441 4.830 50 0 HJAARN CC[C@@H](C)Oc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 ZINC000020462779 558373777 /nfs/dbraw/zinc/37/37/77/558373777.db2.gz NGKDNUMMVJLDBH-CYBMUJFWSA-N 0 0 412.559 4.868 50 0 HJAARN Cc1cccnc1CCNC(=O)c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 ZINC000012308527 558376923 /nfs/dbraw/zinc/37/69/23/558376923.db2.gz UNPZVBUNKORSNV-UHFFFAOYSA-N 0 0 405.885 4.748 50 0 HJAARN O=S(=O)(Nc1ccccc1)c1ccc(NC(=S)Nc2ccc(F)cc2F)cc1 ZINC000020523398 558383921 /nfs/dbraw/zinc/38/39/21/558383921.db2.gz PSTMMXGDGVBGPU-UHFFFAOYSA-N 0 0 419.478 4.575 50 0 HJAARN COc1ccc(OCCNC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)cc1 ZINC000012370087 558389186 /nfs/dbraw/zinc/38/91/86/558389186.db2.gz QXTAAWLLWGYROS-UHFFFAOYSA-N 0 0 421.280 4.774 50 0 HJAARN CCOC(=O)c1nc(C)nc(Sc2n[nH]c(-c3cc(Cl)cc(Cl)c3)n2)c1C ZINC000012369995 558389282 /nfs/dbraw/zinc/38/92/82/558389282.db2.gz PYYUVMKBLZLKAV-UHFFFAOYSA-N 0 0 424.313 4.513 50 0 HJAARN Cc1c(C)n(Cc2cccc(Cl)c2)c(N)c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000012372572 558390038 /nfs/dbraw/zinc/39/00/38/558390038.db2.gz HSSBGFLYZPJLQH-UHFFFAOYSA-N 0 0 409.338 4.875 50 0 HJAARN O=C1C[C@H](c2ccsc2)c2scc(S(=O)(=O)c3ccc(Cl)cc3)c2N1 ZINC000012374649 558391399 /nfs/dbraw/zinc/39/13/99/558391399.db2.gz RDLIBQXEQYHTNP-CYBMUJFWSA-N 0 0 409.941 4.770 50 0 HJAARN CCOC(=O)Cn1nc(C)c2c1nc(-c1ccc(Cl)s1)cc2C(F)(F)F ZINC000020614340 558392098 /nfs/dbraw/zinc/39/20/98/558392098.db2.gz VHVQXNVEQRKIHW-UHFFFAOYSA-N 0 0 403.813 4.704 50 0 HJAARN Cc1noc(C)c1COc1ccc(C(=O)Nc2ccn(Cc3ccccc3C)n2)cc1 ZINC000020616904 558393441 /nfs/dbraw/zinc/39/34/41/558393441.db2.gz QNHUHSBCGUPNOY-UHFFFAOYSA-N 0 0 416.481 4.676 50 0 HJAARN Cc1c(C)n(C2CCCC2)c(NC(=O)c2ccncc2)c1S(=O)(=O)c1ccccc1 ZINC000012409313 558399926 /nfs/dbraw/zinc/39/99/26/558399926.db2.gz CPFIKBBJIZMACJ-UHFFFAOYSA-N 0 0 423.538 4.700 50 0 HJAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000012419423 558403078 /nfs/dbraw/zinc/40/30/78/558403078.db2.gz MJVGAHJLDCFNMM-HZPDHXFCSA-N 0 0 400.500 4.558 50 0 HJAARN C[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1ccc2ccc(Br)cc21 ZINC000020722604 558403453 /nfs/dbraw/zinc/40/34/53/558403453.db2.gz VRGJZIKSIZULLN-CQSZACIVSA-N 0 0 410.315 4.633 50 0 HJAARN O=C1C[C@H](c2ccc(F)cc2)c2scc(S(=O)(=O)c3ccc(Cl)cc3)c2N1 ZINC000012429149 558404270 /nfs/dbraw/zinc/40/42/70/558404270.db2.gz ZWFZANOZPLGGOS-OAHLLOKOSA-N 0 0 421.902 4.848 50 0 HJAARN Cc1cc(CN(C)C(=O)c2csc3nc(-c4cccc(C(F)(F)F)c4)cn23)on1 ZINC000012433748 558407622 /nfs/dbraw/zinc/40/76/22/558407622.db2.gz BSUDSBGQRGYXJD-UHFFFAOYSA-N 0 0 420.416 4.650 50 0 HJAARN Cc1nn(-c2ncccn2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)CC(=O)N2 ZINC000020739309 558408831 /nfs/dbraw/zinc/40/88/31/558408831.db2.gz HBSZBDGDBJSRJF-HXUWFJFHSA-N 0 0 411.465 4.673 50 0 HJAARN COc1ccc(CC(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccc(C)cc2)cc1 ZINC000012439557 558410961 /nfs/dbraw/zinc/41/09/61/558410961.db2.gz XLBDUVAJBNIKSX-QFIPXVFZSA-N 0 0 403.526 4.562 50 0 HJAARN CCCN1c2ccccc2[C@@]2(CC(=O)Nc3c2cnn3-c2ccccc2Cl)C1=O ZINC000020746068 558411208 /nfs/dbraw/zinc/41/12/08/558411208.db2.gz WFUJZVGTXOUWLZ-JOCHJYFZSA-N 0 0 406.873 4.560 50 0 HJAARN CC(=O)c1cc(CC(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccc(C)cc2)cs1 ZINC000012469332 558421469 /nfs/dbraw/zinc/42/14/69/558421469.db2.gz IYHYOHAPJRWYIX-HXUWFJFHSA-N 0 0 421.566 4.817 50 0 HJAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000020939479 558424638 /nfs/dbraw/zinc/42/46/38/558424638.db2.gz ZHLLKXPIPWBNCO-UHFFFAOYSA-N 0 0 424.570 4.905 50 0 HJAARN O=C(c1ccc2[nH]ccc2c1)N1CCC(CO)(Cc2ccccc2C(F)(F)F)CC1 ZINC000020996596 558427045 /nfs/dbraw/zinc/42/70/45/558427045.db2.gz SMYCUIPNMBNSLQ-UHFFFAOYSA-N 0 0 416.443 4.644 50 0 HJAARN O=C(c1cn(C(c2ccccc2)c2ccccc2)nn1)N1CCC[C@@H](c2ccccc2)C1 ZINC000012575872 558430575 /nfs/dbraw/zinc/43/05/75/558430575.db2.gz VNDIGANKMFMGOQ-XMMPIXPASA-N 0 0 422.532 4.936 50 0 HJAARN O=C(CCC1CCN(C(=O)C2=CCCCC2)CC1)NCc1cccc(C(F)(F)F)c1 ZINC000012579199 558431792 /nfs/dbraw/zinc/43/17/92/558431792.db2.gz ZHTMYHBESKTBGC-UHFFFAOYSA-N 0 0 422.491 4.841 50 0 HJAARN CC(C)(C)c1cc(NC(=O)C2CCN(c3ccc(Cl)cn3)CC2)n(C(C)(C)C)n1 ZINC000072029129 558434030 /nfs/dbraw/zinc/43/40/30/558434030.db2.gz DGVYMLWQNMVXDF-UHFFFAOYSA-N 0 0 417.985 4.839 50 0 HJAARN CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCc2ccccc21 ZINC000021277926 558434672 /nfs/dbraw/zinc/43/46/72/558434672.db2.gz NPVVUZXVZQXTFF-GOSISDBHSA-N 0 0 405.325 4.727 50 0 HJAARN Cc1csc(SCC(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)n1 ZINC000012591296 558435904 /nfs/dbraw/zinc/43/59/04/558435904.db2.gz QAXOXHKSJGFIJX-QGZVFWFLSA-N 0 0 412.584 4.559 50 0 HJAARN COC(=O)c1ccc(C(=O)Nc2nc(-c3cc4cccc(OC)c4o3)cs2)cc1 ZINC000010748001 558436322 /nfs/dbraw/zinc/43/63/22/558436322.db2.gz UDBRDEVXTDOGBY-UHFFFAOYSA-N 0 0 408.435 4.604 50 0 HJAARN CSc1ccccc1OCc1cc(C(=O)NCCc2ccccc2Cl)no1 ZINC000012594870 558437220 /nfs/dbraw/zinc/43/72/20/558437220.db2.gz UUDKBTYJPMMBER-UHFFFAOYSA-N 0 0 402.903 4.601 50 0 HJAARN COc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc(Cl)c1OC(C)C ZINC000012628636 558440800 /nfs/dbraw/zinc/44/08/00/558440800.db2.gz LFMDTSMCCRSYED-SFHVURJKSA-N 0 0 413.905 4.989 50 0 HJAARN CN(C)c1cccc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c1 ZINC000012632923 558442360 /nfs/dbraw/zinc/44/23/60/558442360.db2.gz NFNYURIHDAKQAB-UHFFFAOYSA-N 0 0 410.521 4.594 50 0 HJAARN COc1cc(OC)cc(-c2nnc(SCc3ccccn3)n2-c2ccccc2C)c1 ZINC000004354990 558442386 /nfs/dbraw/zinc/44/23/86/558442386.db2.gz FZWBTKUXWZIRAR-UHFFFAOYSA-N 0 0 418.522 4.947 50 0 HJAARN CCOc1ccc(-n2c(SCCC(N)=O)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000012634767 558442794 /nfs/dbraw/zinc/44/27/94/558442794.db2.gz IHKYRXJXDFPBSN-UHFFFAOYSA-N 0 0 424.570 4.598 50 0 HJAARN O=C(CSc1nc2ccccc2o1)N1CCS[C@@H](c2cc(F)ccc2F)CC1 ZINC000219308980 558443247 /nfs/dbraw/zinc/44/32/47/558443247.db2.gz SJHUNPUZHYSPGI-GOSISDBHSA-N 0 0 420.506 4.905 50 0 HJAARN O=C(NCC(F)(F)F)c1ccccc1NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000021631327 558443937 /nfs/dbraw/zinc/44/39/37/558443937.db2.gz LEBNIOPAVIGNMF-UHFFFAOYSA-N 0 0 409.166 4.677 50 0 HJAARN Cc1ccc(-c2nsc(NC(=O)c3cc(=O)c4cc(Cl)c(C)cc4o3)n2)s1 ZINC000021659737 558444772 /nfs/dbraw/zinc/44/47/72/558444772.db2.gz HLHYOISUBOLMAK-UHFFFAOYSA-N 0 0 417.899 4.896 50 0 HJAARN O=C(NC1CC1)c1cc(SCc2nc(-c3cccs3)no2)nc2ccccc21 ZINC000021762365 558448027 /nfs/dbraw/zinc/44/80/27/558448027.db2.gz GPNAJEQEFWUFPO-UHFFFAOYSA-N 0 0 408.508 4.531 50 0 HJAARN O=C(c1cn(Cc2ccc(Cl)cc2)nn1)N1CCCC[C@H]1CCc1ccccc1 ZINC000012703146 558448493 /nfs/dbraw/zinc/44/84/93/558448493.db2.gz OZIVSAYIOXKBNW-NRFANRHFSA-N 0 0 408.933 4.607 50 0 HJAARN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000012705784 558449798 /nfs/dbraw/zinc/44/97/98/558449798.db2.gz NOSODVSZSPXVJS-UHFFFAOYSA-N 0 0 418.896 4.899 50 0 HJAARN Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)no2)cc1 ZINC000021805397 558450604 /nfs/dbraw/zinc/45/06/04/558450604.db2.gz IKQCKYGIBSJIST-OAQYLSRUSA-N 0 0 409.917 4.870 50 0 HJAARN Cc1cccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)n1 ZINC000012708068 558450778 /nfs/dbraw/zinc/45/07/78/558450778.db2.gz XABMZCNTBJDLMP-FQEVSTJZSA-N 0 0 417.484 4.687 50 0 HJAARN O=C(CSc1nnc(Nc2ccccc2F)s1)N1CCC[C@@H]1c1cccs1 ZINC000021844542 558451890 /nfs/dbraw/zinc/45/18/90/558451890.db2.gz OMTQUIYBYJFYHN-CQSZACIVSA-N 0 0 420.560 4.938 50 0 HJAARN CSc1ccccc1OCc1cc(C(=O)N(C)[C@H](C)c2nc(C)cs2)no1 ZINC000012710142 558451894 /nfs/dbraw/zinc/45/18/94/558451894.db2.gz UQDLNYZBZOTOEN-CYBMUJFWSA-N 0 0 403.529 4.574 50 0 HJAARN C[C@H](NC(=O)CCc1nnc(CCc2c[nH]c3ccccc23)o1)c1ccccc1Cl ZINC000012712639 558453584 /nfs/dbraw/zinc/45/35/84/558453584.db2.gz KTUVUPYYUGZWSX-HNNXBMFYSA-N 0 0 422.916 4.800 50 0 HJAARN C[C@H](NC(=O)NCCc1coc(-c2ccc(F)cc2)n1)c1ccc2c(c1)CCCC2 ZINC000072083968 558455685 /nfs/dbraw/zinc/45/56/85/558455685.db2.gz VBOSLRVPTDXXOI-INIZCTEOSA-N 0 0 407.489 4.962 50 0 HJAARN COc1ccc2cc(CN(C)C(=O)c3[nH]c4c(c3C)C(=O)CC(C)(C)C4)ccc2c1 ZINC000021934268 558455856 /nfs/dbraw/zinc/45/58/56/558455856.db2.gz FUCHCILNKDEZMY-UHFFFAOYSA-N 0 0 404.510 4.912 50 0 HJAARN COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(C(=O)C4=CCCC4)C3)cc2)c1 ZINC000012719033 558456459 /nfs/dbraw/zinc/45/64/59/558456459.db2.gz MNNZEMPDJOAYER-OAQYLSRUSA-N 0 0 404.510 4.650 50 0 HJAARN CCOC(=O)C1(CCCc2ccccc2)CCN(Cc2c(C)nn(C)c2Cl)CC1 ZINC000012753265 558459620 /nfs/dbraw/zinc/45/96/20/558459620.db2.gz LGBHQXDFUJEHDW-UHFFFAOYSA-N 0 0 417.981 4.550 50 0 HJAARN CN(Cc1cccc(Cl)c1)C(=O)c1coc(COc2cccc3cnccc32)n1 ZINC000012764003 558461667 /nfs/dbraw/zinc/46/16/67/558461667.db2.gz HMIPGUIRVYGTRW-UHFFFAOYSA-N 0 0 407.857 4.727 50 0 HJAARN COC(=O)Cc1ccc(Nc2ncnc3cc(-c4ccc(OC)cc4)sc32)cc1 ZINC000012789544 558464664 /nfs/dbraw/zinc/46/46/64/558464664.db2.gz IHRKLKMSBSPMBF-UHFFFAOYSA-N 0 0 405.479 4.826 50 0 HJAARN CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000012790869 558465576 /nfs/dbraw/zinc/46/55/76/558465576.db2.gz DODLKZWHLRGENL-QFIPXVFZSA-N 0 0 408.498 4.756 50 0 HJAARN COc1ccc(/C=C2\SC(=N)NC2=O)cc1OCc1ccc(Cl)cc1Cl ZINC000022238457 558471411 /nfs/dbraw/zinc/47/14/11/558471411.db2.gz HLHRPGWDRBJFLC-APSNUPSMSA-N 0 0 409.294 4.720 50 0 HJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)c1cc(F)ccc1F ZINC000012800282 558471436 /nfs/dbraw/zinc/47/14/36/558471436.db2.gz FGPKWLQUILFLAE-UHFFFAOYSA-N 0 0 403.860 4.752 50 0 HJAARN CCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3cnc(C)cn3)sc2c1 ZINC000012800527 558471566 /nfs/dbraw/zinc/47/15/66/558471566.db2.gz AFKGZPLCSNVAPW-UHFFFAOYSA-N 0 0 404.495 4.640 50 0 HJAARN COc1ccc([C@@H]2CCCCCN2Cc2nc(-c3ccc(OC)cc3OC)no2)cc1 ZINC000012805197 558473194 /nfs/dbraw/zinc/47/31/94/558473194.db2.gz SFGWBQJSOAKQKE-NRFANRHFSA-N 0 0 423.513 4.880 50 0 HJAARN O=C(CSC1=NC2(CCCCC2)Nc2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000004372220 558473900 /nfs/dbraw/zinc/47/39/00/558473900.db2.gz HKAUHRUFRVJUJR-UHFFFAOYSA-N 0 0 409.511 4.620 50 0 HJAARN CCCOc1ccc2ccccc2c1CN(C)C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000022291495 558476712 /nfs/dbraw/zinc/47/67/12/558476712.db2.gz WOCUVPSCIGWVAR-FQEVSTJZSA-N 0 0 420.484 4.852 50 0 HJAARN Cc1ccc(OCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)cc1 ZINC000004384987 558482546 /nfs/dbraw/zinc/48/25/46/558482546.db2.gz YMBZFKXYDBFYTC-UHFFFAOYSA-N 0 0 405.542 4.663 50 0 aggregator HJAARN Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)Nc3c(C)nn(C)c3C)cc12 ZINC000012889708 558483228 /nfs/dbraw/zinc/48/32/28/558483228.db2.gz XOJYKZDWTAYWBC-UHFFFAOYSA-N 0 0 413.934 4.711 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)cc1Cl ZINC000012905102 558484171 /nfs/dbraw/zinc/48/41/71/558484171.db2.gz MDGIUEFJHQSKEP-UHFFFAOYSA-N 0 0 423.885 4.617 50 0 HJAARN CC(C)(C)C(=O)COC(=O)c1ccccc1SCc1nc(-c2ccccc2)no1 ZINC000012975833 558491230 /nfs/dbraw/zinc/49/12/30/558491230.db2.gz CLRXKSXRGSRXHO-UHFFFAOYSA-N 0 0 410.495 4.801 50 0 HJAARN COc1ccc([C@@H](NC(=O)c2cc3c(s2)CCCCCC3)c2nccn2C)cc1 ZINC000022471119 558491571 /nfs/dbraw/zinc/49/15/71/558491571.db2.gz PYJYPTRNPUZPBQ-OAQYLSRUSA-N 0 0 409.555 4.669 50 0 HJAARN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000012977356 558491998 /nfs/dbraw/zinc/49/19/98/558491998.db2.gz WQZCNCPNGVQZAR-LBPRGKRZSA-N 0 0 403.301 4.979 50 0 HJAARN Cc1ccc2c(C)c(CCC(=O)Nc3ccccc3Br)c(=O)oc2c1 ZINC000012979205 558492754 /nfs/dbraw/zinc/49/27/54/558492754.db2.gz CSEUQAFTXPCGDW-UHFFFAOYSA-N 0 0 400.272 4.744 50 0 HJAARN C=C1c2ccccc2N=C(SCC(=O)Nc2cc(OCC)ccc2OCC)N1C ZINC000012979663 558492916 /nfs/dbraw/zinc/49/29/16/558492916.db2.gz WBFDTNVZQRTDGB-UHFFFAOYSA-N 0 0 411.527 4.760 50 0 HJAARN COc1cc(OC)c(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)cc1Cl ZINC000010847617 558494916 /nfs/dbraw/zinc/49/49/16/558494916.db2.gz QTJFYWCUVKPDOL-UHFFFAOYSA-N 0 0 422.865 4.882 50 0 HJAARN CC(C)[C@H](NC(=O)COc1ccccc1C(=O)NCc1ccccc1)c1cccs1 ZINC000010850705 558496126 /nfs/dbraw/zinc/49/61/26/558496126.db2.gz UJDVDLIOYDFLQL-QHCPKHFHSA-N 0 0 422.550 4.570 50 0 HJAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000012993277 558497246 /nfs/dbraw/zinc/49/72/46/558497246.db2.gz YAICDPNNXYFZAU-UHFFFAOYSA-N 0 0 403.265 4.964 50 0 HJAARN Cc1ccccc1[C@@H](OC(=O)CCc1nc(-c2ccc(F)cc2)no1)C(F)(F)F ZINC000012993681 558497722 /nfs/dbraw/zinc/49/77/22/558497722.db2.gz GALYTHDHEQHHOY-GOSISDBHSA-N 0 0 408.351 4.964 50 0 HJAARN Cc1ccc(NC(=O)[C@H](C)Nc2ccc(NC(=O)C3CC3)cc2)c(Br)c1 ZINC000010842454 558498394 /nfs/dbraw/zinc/49/83/94/558498394.db2.gz PJVGWFNXEMTNAM-ZDUSSCGKSA-N 0 0 416.319 4.545 50 0 HJAARN Cc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3c(C)cc(C)cc3C)cs2)cc1 ZINC000013000927 558500419 /nfs/dbraw/zinc/50/04/19/558500419.db2.gz YQMVCRWYGSBNPN-UHFFFAOYSA-N 0 0 407.539 4.754 50 0 HJAARN Cc1cc(C(=O)N2CC=C(c3ccccc3)CC2)c2cnn(Cc3cccs3)c2n1 ZINC000013002470 558501040 /nfs/dbraw/zinc/50/10/40/558501040.db2.gz JHJGXUKJLHQQIH-UHFFFAOYSA-N 0 0 414.534 4.779 50 0 HJAARN O=C(c1ccc(Cl)cc1F)N1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000013003842 558501560 /nfs/dbraw/zinc/50/15/60/558501560.db2.gz ZKCWQKXEGDTKKV-UHFFFAOYSA-N 0 0 404.272 4.643 50 0 HJAARN O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000013021755 558504533 /nfs/dbraw/zinc/50/45/33/558504533.db2.gz MYCPIUJXDWXMFU-DNQXCXABSA-N 0 0 414.505 4.518 50 0 HJAARN CC(C)(C)C(=O)NCCCc1nc2ccccc2n1Cc1c(F)cccc1Cl ZINC000013031036 558505238 /nfs/dbraw/zinc/50/52/38/558505238.db2.gz HDLWZQBWPKLVNS-UHFFFAOYSA-N 0 0 401.913 4.972 50 0 HJAARN O=C(Cc1ccccc1)NCCCc1nc2ccccc2n1Cc1ccccc1F ZINC000013031044 558505277 /nfs/dbraw/zinc/50/52/77/558505277.db2.gz JVJVMTMDEIRRGH-UHFFFAOYSA-N 0 0 401.485 4.515 50 0 HJAARN Cc1cc(C)c(NC(=O)[C@H](C)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)c1 ZINC000013038677 558505671 /nfs/dbraw/zinc/50/56/71/558505671.db2.gz RAGGITKXIJGNOZ-SFHVURJKSA-N 0 0 419.491 4.780 50 0 HJAARN Cc1cc(C)c(NC(=O)[C@@H](C)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)c1 ZINC000013038676 558505678 /nfs/dbraw/zinc/50/56/78/558505678.db2.gz RAGGITKXIJGNOZ-GOSISDBHSA-N 0 0 419.491 4.780 50 0 HJAARN CCOc1ccc(C(C)=O)cc1CN1C(=O)N[C@@](C)(c2ccc(C(C)(C)C)cc2)C1=O ZINC000013041828 558507714 /nfs/dbraw/zinc/50/77/14/558507714.db2.gz AACXFLUYAOZLFJ-VWLOTQADSA-N 0 0 422.525 4.553 50 0 HJAARN Cc1ccc(Nc2nc(CN(C)CC(=O)Nc3ccccc3Cl)cs2)cc1 ZINC000013062087 558509965 /nfs/dbraw/zinc/50/99/65/558509965.db2.gz LPGKXJRGJJKILP-UHFFFAOYSA-N 0 0 400.935 4.919 50 0 HJAARN Cc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c1C ZINC000013070320 558511161 /nfs/dbraw/zinc/51/11/61/558511161.db2.gz CBFHCCJNPQATRI-AWEZNQCLSA-N 0 0 408.329 4.508 50 0 HJAARN COc1ccc(CN(C)Cn2nc(-c3ccc(Cl)cc3)oc2=S)cc1OC ZINC000013071435 558511696 /nfs/dbraw/zinc/51/16/96/558511696.db2.gz KDGNZQHRMQMJSO-UHFFFAOYSA-N 0 0 405.907 4.633 50 0 HJAARN Cc1cc(C(=O)OCC(=O)N2CC[C@H](C)Sc3ccccc32)c2ccccc2n1 ZINC000013074092 558512170 /nfs/dbraw/zinc/51/21/70/558512170.db2.gz FILFVIQNCMVVJZ-INIZCTEOSA-N 0 0 406.507 4.618 50 0 HJAARN Cc1cc(C)c(-c2csc(NC(=O)c3ccc(CN4CCOCC4)cc3)n2)c(C)c1 ZINC000022795593 558512260 /nfs/dbraw/zinc/51/22/60/558512260.db2.gz IODIAWHZAAPAGY-UHFFFAOYSA-N 0 0 421.566 4.820 50 0 HJAARN C[C@H](Oc1ccc2c(c1)oc(=O)cc2C(F)(F)F)C(=O)N1c2ccccc2C[C@H]1C ZINC000013075599 558512508 /nfs/dbraw/zinc/51/25/08/558512508.db2.gz BOLNYRBLGODDGK-OLZOCXBDSA-N 0 0 417.383 4.557 50 0 HJAARN Cc1ccccc1N1CCN(C(=O)COc2cc(C)c(Cl)cc2C(C)C)CC1 ZINC000013096653 558513427 /nfs/dbraw/zinc/51/34/27/558513427.db2.gz AWIVCVSBGBUNFR-UHFFFAOYSA-N 0 0 400.950 4.808 50 0 HJAARN Brc1ccc(-c2nnc(CSc3nnc(C4CC4)n3C3CC3)o2)cc1 ZINC000013117551 558516511 /nfs/dbraw/zinc/51/65/11/558516511.db2.gz JHBMMPCZPLTKBC-UHFFFAOYSA-N 0 0 418.320 4.595 50 0 HJAARN 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ZINC000013148878 558523694 /nfs/dbraw/zinc/52/36/94/558523694.db2.gz JYYIWJGDZDBLSW-ALOPSCKCSA-N 0 0 405.585 4.723 50 0 HJAARN COc1ccc([C@H]2Nn3c(nnc3C(C)(C)C)S[C@H]2C(=O)c2ccc(C)cc2)cc1 ZINC000013150374 558523849 /nfs/dbraw/zinc/52/38/49/558523849.db2.gz BTMRSCOHDHNIBH-UYAOXDASSA-N 0 0 422.554 4.535 50 0 HJAARN CC(C)c1nc2oc3c(ncnc3NCc3cccnc3)c2c2c1COC(C)(C)C2 ZINC000013217758 558526219 /nfs/dbraw/zinc/52/62/19/558526219.db2.gz DOFIFTMYNOQZHP-UHFFFAOYSA-N 0 0 403.486 4.753 50 0 HJAARN O=C(c1ccc(Br)s1)n1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000013304356 558529640 /nfs/dbraw/zinc/52/96/40/558529640.db2.gz JUMXFTHZCSYNAL-UHFFFAOYSA-N 0 0 409.264 4.760 50 0 HJAARN CC(C)c1ccc([C@@H](C)NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 ZINC000023057338 558532748 /nfs/dbraw/zinc/53/27/48/558532748.db2.gz TUKJYGWWSLYWSB-WZONZLPQSA-N 0 0 416.521 4.848 50 0 HJAARN C[C@@H](Oc1ccc(Br)cc1)c1nn2c([nH]1)c1ccccc1nc2=S ZINC000013497270 558535052 /nfs/dbraw/zinc/53/50/52/558535052.db2.gz PBUIEOUONMVIBU-SNVBAGLBSA-N 0 0 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ZINC000023366641 558552833 /nfs/dbraw/zinc/55/28/33/558552833.db2.gz NIPABUUKGUSDRZ-AREMUKBSSA-N 0 0 412.489 4.792 50 0 HJAARN CN1CCc2nc(NC(=O)c3ccccc3OCc3ccc(Cl)cc3)sc2C1 ZINC000023607987 558563620 /nfs/dbraw/zinc/56/36/20/558563620.db2.gz PWSMNXLENKDCLK-UHFFFAOYSA-N 0 0 413.930 4.616 50 0 HJAARN CN(Cc1nc2ccccc2s1)Cn1nc(-c2ccccc2Cl)n(C)c1=S ZINC000023851246 558577965 /nfs/dbraw/zinc/57/79/65/558577965.db2.gz SGAQPVHWMLLWMN-UHFFFAOYSA-N 0 0 415.975 4.971 50 0 HJAARN CN(Cc1ccc2ccccc2c1)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC000023956938 558582606 /nfs/dbraw/zinc/58/26/06/558582606.db2.gz DLHSKXXPWZQDHB-MHZLTWQESA-N 0 0 423.516 4.850 50 0 HJAARN COC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)c1cc(=O)oc2cc(OC)ccc21 ZINC000013723923 558583569 /nfs/dbraw/zinc/58/35/69/558583569.db2.gz ZIVIOGXNABJZPG-OAHLLOKOSA-N 0 0 407.249 4.608 50 0 HJAARN O=C(Nc1ccccc1Br)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000024003962 558584422 /nfs/dbraw/zinc/58/44/22/558584422.db2.gz DVEVIQJFEMGTCB-OAHLLOKOSA-N 0 0 409.283 4.594 50 0 HJAARN O=C(CCc1nnc(-c2ccccc2)o1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000024028961 558585115 /nfs/dbraw/zinc/58/51/15/558585115.db2.gz JPBOISVEYLFDRW-UHFFFAOYSA-N 0 0 418.478 4.622 50 0 HJAARN Cc1ccc(C)c(S(=O)(=O)N(C)c2ccc(Oc3ncnc4ccccc43)cc2)c1 ZINC000024057604 558587185 /nfs/dbraw/zinc/58/71/85/558587185.db2.gz OZFMQUZMWOXVIQ-UHFFFAOYSA-N 0 0 419.506 4.864 50 0 HJAARN COc1ccc(CNC(=O)C2(c3ccc(NC(=O)C4CC4)cc3)CCCCC2)cc1 ZINC000065027473 558588019 /nfs/dbraw/zinc/58/80/19/558588019.db2.gz XPZCBSRVVXIEMQ-UHFFFAOYSA-N 0 0 406.526 4.562 50 0 HJAARN CCCC[C@H](CC)[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000013757641 558590604 /nfs/dbraw/zinc/59/06/04/558590604.db2.gz XMMKDNVRLXROGB-ZJQURUERSA-N 0 0 410.489 4.721 50 0 HJAARN COc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 ZINC000013776444 558592556 /nfs/dbraw/zinc/59/25/56/558592556.db2.gz IFYAVGLOSMGHLU-YKSBVNFPSA-N 0 0 400.434 4.666 50 0 HJAARN Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)Oc1ccc(F)c2c1C(=O)C[C@@H]2C ZINC000024222267 558592605 /nfs/dbraw/zinc/59/26/05/558592605.db2.gz OLWGLUQROPMFCU-ZDUSSCGKSA-N 0 0 423.488 4.996 50 0 HJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3F)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013787775 558593724 /nfs/dbraw/zinc/59/37/24/558593724.db2.gz BLRJGWCBCDORJS-NJDAHSKKSA-N 0 0 422.843 4.530 50 0 HJAARN Cc1noc(COC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)n1 ZINC000024327032 558594909 /nfs/dbraw/zinc/59/49/09/558594909.db2.gz YOJAMACQIMKPGU-VAWYXSNFSA-N 0 0 414.465 4.604 50 0 HJAARN COCCCNC(=O)c1ccccc1NC(=O)/C(=C/c1ccccc1)c1ccccc1 ZINC000013856365 558598411 /nfs/dbraw/zinc/59/84/11/558598411.db2.gz PTJBAAXEKFBNKA-FCDQGJHFSA-N 0 0 414.505 4.632 50 0 HJAARN O=C(CSc1ccc2c(c1)CCC2)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000024561964 558601052 /nfs/dbraw/zinc/60/10/52/558601052.db2.gz QPQBNAXNTKSSIX-HSZRJFAPSA-N 0 0 417.578 4.706 50 0 HJAARN O=C(CSc1ccc2c(c1)CCC2)N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000024561968 558601053 /nfs/dbraw/zinc/60/10/53/558601053.db2.gz QPQBNAXNTKSSIX-QHCPKHFHSA-N 0 0 417.578 4.706 50 0 HJAARN CC[C@@H](Sc1nc(C)c(Cc2ccc(O)cc2)[nH]1)C(=O)Nc1ccc(Cl)cn1 ZINC000013945128 558606735 /nfs/dbraw/zinc/60/67/35/558606735.db2.gz NDRRTUPMSVZTKO-QGZVFWFLSA-N 0 0 416.934 4.572 50 0 HJAARN COc1ccccc1C1=NO[C@H](C(=O)Nc2ccccc2Sc2ccccc2)C1 ZINC000013961079 558608976 /nfs/dbraw/zinc/60/89/76/558608976.db2.gz AJOWRTQROZHVDR-NRFANRHFSA-N 0 0 404.491 4.978 50 0 HJAARN Cc1ccc(OCCSc2nnc([C@@H](C)N(C)C)n2-c2ccc(F)cc2)cc1 ZINC000004500384 558612602 /nfs/dbraw/zinc/61/26/02/558612602.db2.gz RAOBZLLFXRHIKC-MRXNPFEDSA-N 0 0 400.523 4.509 50 0 HJAARN CCOC(=O)c1c(C)[nH]c(C(=O)N(Cc2cccs2)Cc2cccs2)c1C ZINC000014016316 558613664 /nfs/dbraw/zinc/61/36/64/558613664.db2.gz JCXSNXPZGCOKIT-UHFFFAOYSA-N 0 0 402.541 4.774 50 0 HJAARN O=C(Cc1csc(-c2ccco2)n1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000024823921 558613972 /nfs/dbraw/zinc/61/39/72/558613972.db2.gz RTCALDIBOZHYIR-UHFFFAOYSA-N 0 0 409.536 4.962 50 0 HJAARN COc1ccc(-c2nc(CC(=O)N[C@H]3CCSc4ccc(F)cc43)cs2)cc1 ZINC000010965707 558618396 /nfs/dbraw/zinc/61/83/96/558618396.db2.gz PHQQHBCDFKTIMH-SFHVURJKSA-N 0 0 414.527 4.854 50 0 HJAARN COc1ccc(-c2csc3nc(C)nc(Oc4ccc(C(N)=O)cc4)c23)cc1OC ZINC000014093485 558619257 /nfs/dbraw/zinc/61/92/57/558619257.db2.gz NRXGBQLTXCJKNV-UHFFFAOYSA-N 0 0 421.478 4.575 50 0 HJAARN COc1ccccc1CCC(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl ZINC000014093338 558619366 /nfs/dbraw/zinc/61/93/66/558619366.db2.gz JOBSGNGRNWKYAN-UHFFFAOYSA-N 0 0 404.297 4.818 50 0 HJAARN COc1ccc(-c2noc(CSc3nnc(NC4CCCCC4)s3)n2)cc1 ZINC000014115811 558621537 /nfs/dbraw/zinc/62/15/37/558621537.db2.gz UUDXWUZFSMAHBB-UHFFFAOYSA-N 0 0 403.533 4.634 50 0 HJAARN Cc1ccc(Sc2ccc(NC(=O)COc3ccc(C(N)=O)cc3)cc2)c(C)c1 ZINC000014115182 558621586 /nfs/dbraw/zinc/62/15/86/558621586.db2.gz SKVDVMASTPJXLZ-UHFFFAOYSA-N 0 0 406.507 4.571 50 0 HJAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000014118088 558621839 /nfs/dbraw/zinc/62/18/39/558621839.db2.gz JWWALIGFDXLUFI-UHFFFAOYSA-N 0 0 422.912 4.995 50 0 HJAARN Cc1ccccc1-n1cnnc1SCC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000004510135 558623282 /nfs/dbraw/zinc/62/32/82/558623282.db2.gz ZNDGLTVYNHHYND-INIZCTEOSA-N 0 0 410.568 4.585 50 0 HJAARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000024986600 558625021 /nfs/dbraw/zinc/62/50/21/558625021.db2.gz LBCGGRACBSACHX-UHFFFAOYSA-N 0 0 410.543 4.520 50 0 HJAARN O=S(=O)(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1cccs1 ZINC000024987802 558625447 /nfs/dbraw/zinc/62/54/47/558625447.db2.gz NOVXFZKYYWVRKR-UHFFFAOYSA-N 0 0 401.387 4.722 50 0 HJAARN O=c1c2ccccc2c(-c2ccc(Br)cc2)nn1C[C@H](O)c1ccccc1 ZINC000024990517 558625905 /nfs/dbraw/zinc/62/59/05/558625905.db2.gz LUJZBAOBXFSXMV-FQEVSTJZSA-N 0 0 421.294 4.560 50 0 HJAARN FC(F)(F)c1cccc(CSc2nc(CN3CCOCC3)nc3ccccc32)c1 ZINC000014169668 558627033 /nfs/dbraw/zinc/62/70/33/558627033.db2.gz CAJWGLNXDPLIQT-UHFFFAOYSA-N 0 0 419.472 4.773 50 0 HJAARN Cc1cc(C(=O)COc2ccc3c(c2)occ(Oc2ccc(F)cc2)c3=O)c(C)n1C ZINC000014180499 558628075 /nfs/dbraw/zinc/62/80/75/558628075.db2.gz 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50 0 HJAARN Cc1cc(C(=O)COC(=O)c2ccc(Br)o2)c(C)n1Cc1cccs1 ZINC000025391118 558639809 /nfs/dbraw/zinc/63/98/09/558639809.db2.gz HZYBOMDSFKMRQS-UHFFFAOYSA-N 0 0 422.300 4.610 50 0 HJAARN Cc1noc(C)c1COc1ccc(CC(=O)N(Cc2ccccc2F)C2CC2)cc1 ZINC000014232173 558640103 /nfs/dbraw/zinc/64/01/03/558640103.db2.gz LGUBZOQBRYTHKM-UHFFFAOYSA-N 0 0 408.473 4.743 50 0 HJAARN CN(Cn1nc(CSc2nc3ccccc3s2)n(C)c1=S)C1CCCC1 ZINC000014238589 558642598 /nfs/dbraw/zinc/64/25/98/558642598.db2.gz LUHFSQCXBSZTAV-UHFFFAOYSA-N 0 0 405.618 4.685 50 0 HJAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CSc2nc(C)cs2)cc1 ZINC000014241709 558644258 /nfs/dbraw/zinc/64/42/58/558644258.db2.gz DOEOHCDPGXSSIY-FQEVSTJZSA-N 0 0 423.563 4.930 50 0 HJAARN Cc1ccc([C@](O)(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)C(F)(F)F)o1 ZINC000014241788 558644286 /nfs/dbraw/zinc/64/42/86/558644286.db2.gz HASAMKIVRDSMMV-QLJPJBMISA-N 0 0 410.219 4.912 50 0 HJAARN Cc1ccc(-n2cnnc2SCC(=O)N2CCc3sccc3[C@H]2C)cc1Cl ZINC000025575728 558644317 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CC[C@H](C)c1ccc([C@@H](NC(=O)CCc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1 ZINC000026391001 558660045 /nfs/dbraw/zinc/66/00/45/558660045.db2.gz CKHUIVLMMMWKLF-XDHUDOTRSA-N 0 0 405.542 4.883 50 0 HJAARN CCc1ccccc1NC(=O)CN1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl ZINC000026457771 558661485 /nfs/dbraw/zinc/66/14/85/558661485.db2.gz MFZUPAPNXDOZHY-LJQANCHMSA-N 0 0 420.340 4.597 50 0 HJAARN COc1ccc(-c2csc(CNC(=O)c3ccccc3Br)n2)cc1 ZINC000072264943 558663936 /nfs/dbraw/zinc/66/39/36/558663936.db2.gz HKPOLZIEORBPGI-UHFFFAOYSA-N 0 0 403.301 4.511 50 0 HJAARN O=C(c1ccc(Oc2cccc(Cl)c2)o1)N1CCN(c2ccccc2F)CC1 ZINC000072264836 558664484 /nfs/dbraw/zinc/66/44/84/558664484.db2.gz ZRNSCMSKTNNZMC-UHFFFAOYSA-N 0 0 400.837 4.827 50 0 HJAARN O=C(COc1ccccc1[C@H]1Nc2ccccc2-c2nc3ccccc3n21)N1CCCC1 ZINC000026720846 558664684 /nfs/dbraw/zinc/66/46/84/558664684.db2.gz NAPOFSSGNYMAHN-SANMLTNESA-N 0 0 424.504 4.677 50 0 HJAARN Cc1noc2nc(-c3cccs3)cc(C(=O)O[C@@H](C)C(=O)c3ccc(C)cc3)c12 ZINC000014712771 558664759 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COc1ccc(-c2nsc(NC(=O)C(c3ccccc3)c3ccccc3)n2)cc1 ZINC000027662965 558678369 /nfs/dbraw/zinc/67/83/69/558678369.db2.gz HAIWTIQRRJBGSG-UHFFFAOYSA-N 0 0 401.491 4.984 50 0 HJAARN O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCN(CCc2ccncc2)CC1 ZINC000027663203 558678600 /nfs/dbraw/zinc/67/86/00/558678600.db2.gz BVALJHSTRAOIJH-UHFFFAOYSA-N 0 0 420.365 4.604 50 0 HJAARN Cc1cc(C)cc(OCC(=O)NC[C@H](c2ccccc2Cl)N2CCCCC2)c1 ZINC000027663729 558679018 /nfs/dbraw/zinc/67/90/18/558679018.db2.gz RRNGWJZTQHCSGU-JOCHJYFZSA-N 0 0 400.950 4.679 50 0 HJAARN CCN(C(=O)Cc1c(C)nn(-c2ccccc2)c1C)c1cccc(Br)c1 ZINC000027678789 558680375 /nfs/dbraw/zinc/68/03/75/558680375.db2.gz NYHBQQYJRBPTSU-UHFFFAOYSA-N 0 0 412.331 4.847 50 0 HJAARN CCc1ccc(CN(C(=O)c2cc(=O)c3cc(F)ccc3o2)c2ccccn2)cc1 ZINC000027989074 558687785 /nfs/dbraw/zinc/68/77/85/558687785.db2.gz MFLBAOYPUFHFKR-UHFFFAOYSA-N 0 0 402.425 4.737 50 0 HJAARN COc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)cs2)cc1 ZINC000027994971 558689181 /nfs/dbraw/zinc/68/91/81/558689181.db2.gz QXWRSTXLWZDQHJ-QGZVFWFLSA-N 0 0 410.539 4.562 50 0 HJAARN CC(=O)c1c(C)cc(C)c(COC(=O)CCn2c(=O)oc3cc(Cl)ccc32)c1C ZINC000028175466 558691508 /nfs/dbraw/zinc/69/15/08/558691508.db2.gz ZOKISWZDSWKAJO-UHFFFAOYSA-N 0 0 415.873 4.509 50 0 HJAARN O=C(NCCC1=CCCCC1)[C@@H]1CC12CCN(Cc1nc3ccccc3s1)CC2 ZINC000014991667 558694510 /nfs/dbraw/zinc/69/45/10/558694510.db2.gz SSCQOIJMGULRSS-IBGZPJMESA-N 0 0 409.599 4.905 50 0 HJAARN COc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3ccc(F)cc3)no2)cc1 ZINC000028288328 558695318 /nfs/dbraw/zinc/69/53/18/558695318.db2.gz PQKOGUHTWSFPFZ-UHFFFAOYSA-N 0 0 406.413 4.925 50 0 HJAARN Cc1ccc2oc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCCCC3)cc(=O)c2c1 ZINC000028288646 558695533 /nfs/dbraw/zinc/69/55/33/558695533.db2.gz FNMBDAOGANIHBL-HXUWFJFHSA-N 0 0 424.928 4.712 50 0 HJAARN O=C(CCCc1cccs1)NC[C@H]1Cc2cc(Cl)cc(-c3ccncc3)c2O1 ZINC000014995494 558695987 /nfs/dbraw/zinc/69/59/87/558695987.db2.gz WCGLVGLBXZMQKN-GOSISDBHSA-N 0 0 412.942 4.906 50 0 HJAARN O=C(CCc1ccccc1)[C@H]1CCCN(C(=O)c2cc(CCc3ccccc3)no2)C1 ZINC000014996089 558695992 /nfs/dbraw/zinc/69/59/92/558695992.db2.gz GNJPLHOXVGYDBA-QFIPXVFZSA-N 0 0 416.521 4.514 50 0 HJAARN CCc1ccc2oc(C(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)cc(=O)c2c1 ZINC000028289828 558696504 /nfs/dbraw/zinc/69/65/04/558696504.db2.gz SNEZSWJAPSURSX-HXUWFJFHSA-N 0 0 424.928 4.576 50 0 HJAARN Cc1c(C(=O)N(C)CCc2ccccc2)sc2ncnc(NCc3ccco3)c12 ZINC000014999268 558697003 /nfs/dbraw/zinc/69/70/03/558697003.db2.gz UTOJZUQLKLACKL-UHFFFAOYSA-N 0 0 406.511 4.520 50 0 HJAARN CCOC(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)Nc2ccc(SC)cc2)C1 ZINC000015062442 558705330 /nfs/dbraw/zinc/70/53/30/558705330.db2.gz YUMIFJLHKBMFGH-HSZRJFAPSA-N 0 0 412.555 4.828 50 0 HJAARN C[C@@H]1CN(c2ccccc2NC(=O)CSc2nc3ccccc3s2)C[C@@H](C)O1 ZINC000070040164 558705575 /nfs/dbraw/zinc/70/55/75/558705575.db2.gz YGLNTWROKBJIFJ-HUUCEWRRSA-N 0 0 413.568 4.641 50 0 HJAARN Cc1noc(C)c1[C@H](C)C(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000072280615 558705586 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COc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(OC)c(OC)c4)csc32)cc1O ZINC000015106985 558723140 /nfs/dbraw/zinc/72/31/40/558723140.db2.gz WRWFVCQZWJKGTR-CQSZACIVSA-N 0 0 411.479 4.621 50 0 HJAARN CCCc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000004555247 558724087 /nfs/dbraw/zinc/72/40/87/558724087.db2.gz NDKMNJNLMSHQMB-MHZLTWQESA-N 0 0 413.517 4.955 50 0 HJAARN O=C(NCc1ccnc(N2CCCC2)c1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000030012630 558725929 /nfs/dbraw/zinc/72/59/29/558725929.db2.gz XGBUVIIHBUPZAO-UHFFFAOYSA-N 0 0 424.504 4.934 50 0 HJAARN Cc1cc(Cl)c(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)c(Cl)n1 ZINC000015193209 558727580 /nfs/dbraw/zinc/72/75/80/558727580.db2.gz MLMKDLUITPLEOF-UHFFFAOYSA-N 0 0 406.313 4.550 50 0 HJAARN Clc1ccccc1-c1nnc(CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)o1 ZINC000015309976 558731598 /nfs/dbraw/zinc/73/15/98/558731598.db2.gz RKRXBGGJOGTQMD-SFHVURJKSA-N 0 0 411.889 4.888 50 0 HJAARN O=C(Nc1cccc(C(=O)N(CCc2ccccc2)CCc2ccccc2)c1)C1CC1 ZINC000030547618 558732320 /nfs/dbraw/zinc/73/23/20/558732320.db2.gz NSQVXSJJVSKCKG-UHFFFAOYSA-N 0 0 412.533 4.963 50 0 HJAARN COc1cc2c(C(=O)N(C)c3cc(C)ccc3C)cn(CC(C)C)c(=O)c2cc1OC ZINC000004563388 558733066 /nfs/dbraw/zinc/73/30/66/558733066.db2.gz DNRDMCIVKBWWDR-UHFFFAOYSA-N 0 0 422.525 4.568 50 0 HJAARN CC(C)c1ccccc1OC[C@H](O)COc1cccc(C(=O)NCc2ccccc2)c1 ZINC000030597188 558733668 /nfs/dbraw/zinc/73/36/68/558733668.db2.gz QJJZLBLPKRIWHW-JOCHJYFZSA-N 0 0 419.521 4.559 50 0 HJAARN COc1ccc([C@@H]2C(=O)N(c3ccccc3F)CC(=O)N2c2ccc(Cl)cc2)cc1 ZINC000015412374 558738154 /nfs/dbraw/zinc/73/81/54/558738154.db2.gz WVLCJKBIHFKTOC-JOCHJYFZSA-N 0 0 424.859 4.609 50 0 HJAARN Cc1ccc(-c2nc(CCNC(=O)c3ccc(Br)cc3)cs2)cc1 ZINC000004570747 558743147 /nfs/dbraw/zinc/74/31/47/558743147.db2.gz RIRHIWOATZUDLO-UHFFFAOYSA-N 0 0 401.329 4.854 50 0 HJAARN CC1CCN(Cc2csc(NC(=O)COc3cc(Cl)ccc3Cl)n2)CC1 ZINC000015583675 558744901 /nfs/dbraw/zinc/74/49/01/558744901.db2.gz GBOFBICHYWKNTE-UHFFFAOYSA-N 0 0 414.358 4.699 50 0 HJAARN Cc1ccc(C(=O)N[C@H](C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C(C)C)cc1 ZINC000011072665 558747295 /nfs/dbraw/zinc/74/72/95/558747295.db2.gz NAXGHXVMDFCWDB-DEOSSOPVSA-N 0 0 415.537 4.547 50 0 HJAARN CCOc1ccc(Nc2cc(C)nc3cc(-c4ccc(OC)c(OC)c4)nn32)cc1 ZINC000015670892 558748284 /nfs/dbraw/zinc/74/82/84/558748284.db2.gz QCCIPTYBKSBKRS-UHFFFAOYSA-N 0 0 404.470 4.864 50 0 HJAARN COc1ccc(OCC(=O)N(C)[C@@H](c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000015670864 558748370 /nfs/dbraw/zinc/74/83/70/558748370.db2.gz FDZVQRWWWPSSRY-RUZDIDTESA-N 0 0 400.478 4.803 50 0 HJAARN COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000015773945 558752272 /nfs/dbraw/zinc/75/22/72/558752272.db2.gz BZEHCMNRKJUNKI-QNGOZBTKSA-N 0 0 406.869 4.758 50 0 HJAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000011083870 558753797 /nfs/dbraw/zinc/75/37/97/558753797.db2.gz KHWHVSTZOSQNRC-UHFFFAOYSA-N 0 0 420.513 4.551 50 0 HJAARN Cc1c(Cl)ccc(S(=O)(=O)NCCOC23CC4CC(CC(C4)C2)C3)c1Cl ZINC000004578143 558754415 /nfs/dbraw/zinc/75/44/15/558754415.db2.gz SXGODQWIOUHDOK-UHFFFAOYSA-N 0 0 418.386 4.566 50 0 HJAARN COc1ccccc1OCC(=O)N(C)[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000015835557 558755774 /nfs/dbraw/zinc/75/57/74/558755774.db2.gz UMXDHOYRZISANE-QHCPKHFHSA-N 0 0 406.507 4.865 50 0 HJAARN CC1CCN([C@@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)c2ccco2)CC1 ZINC000015860075 558757808 /nfs/dbraw/zinc/75/78/08/558757808.db2.gz FDQNNNZJWGTYID-IBGZPJMESA-N 0 0 413.905 4.791 50 0 HJAARN CCSc1nnc2c(n1)O[C@H](c1cccc(F)c1)N(C(=O)CC)c1ccccc1-2 ZINC000032997212 558758468 /nfs/dbraw/zinc/75/84/68/558758468.db2.gz AWSUSMIVLHKFNN-HXUWFJFHSA-N 0 0 410.474 4.624 50 0 HJAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCCCC[C@@H]1c1ccc(C)s1 ZINC000015866837 558758805 /nfs/dbraw/zinc/75/88/05/558758805.db2.gz QUZPCXUHHLVRNF-GOSISDBHSA-N 0 0 406.573 4.629 50 0 HJAARN O=S(=O)(c1ccc(Br)cc1)N1CCCCC[C@H]1c1cccs1 ZINC000015866690 558758854 /nfs/dbraw/zinc/75/88/54/558758854.db2.gz HGMDTOHUBLVHBJ-HNNXBMFYSA-N 0 0 400.363 4.817 50 0 HJAARN Cc1ccc(C)c(N2CCN(c3nccn4nc(-c5ccc(C)c(C)c5)cc34)CC2)c1 ZINC000033048715 558760460 /nfs/dbraw/zinc/76/04/60/558760460.db2.gz UPRLNTAUODPVAK-UHFFFAOYSA-N 0 0 411.553 4.957 50 0 HJAARN O=C(N[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)s1)c1ccc(Cl)s1 ZINC000015906177 558761750 /nfs/dbraw/zinc/76/17/50/558761750.db2.gz KRNAHILPHPVUTI-AOOOYVTPSA-N 0 0 403.356 4.587 50 0 HJAARN Cc1ccccc1CC(=O)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000033266259 558763205 /nfs/dbraw/zinc/76/32/05/558763205.db2.gz YJPLHWFYEFAFHN-JOCHJYFZSA-N 0 0 401.441 4.632 50 0 HJAARN CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccccc1Oc1ccccc1 ZINC000015966158 558764354 /nfs/dbraw/zinc/76/43/54/558764354.db2.gz KLVZDIQZXUEMBZ-UHFFFAOYSA-N 0 0 414.383 4.607 50 0 HJAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccc2ccccc2n1 ZINC000015968047 558764416 /nfs/dbraw/zinc/76/44/16/558764416.db2.gz CAIFJDLLHKDCCL-UHFFFAOYSA-N 0 0 421.806 4.618 50 0 HJAARN CC(=O)N1N=C(c2c(=O)[nH]c3ccc(C)cc3c2-c2ccccc2)C[C@H]1c1ccco1 ZINC000015973960 558764856 /nfs/dbraw/zinc/76/48/56/558764856.db2.gz JMKBWRJNDQOQKP-NRFANRHFSA-N 0 0 411.461 4.794 50 0 HJAARN CCO[C@@H](CCNC(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F)C(C)C ZINC000072307162 558766619 /nfs/dbraw/zinc/76/66/19/558766619.db2.gz ZDXLKTBQJKUNSF-INIZCTEOSA-N 0 0 417.859 4.726 50 0 HJAARN CCCOc1ccccc1[C@H](CC(C)C)Nc1nn2c(nc(CC)cc2=O)s1 ZINC000072307328 558767198 /nfs/dbraw/zinc/76/71/98/558767198.db2.gz OLXMUUXDVKQBCK-KRWDZBQOSA-N 0 0 400.548 4.702 50 0 HJAARN CCOC(=O)N1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccccc1Cl ZINC000001194018 558775765 /nfs/dbraw/zinc/77/57/65/558775765.db2.gz CPTPUIGLTYDOMU-KRWDZBQOSA-N 0 0 423.694 4.603 50 0 HJAARN Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 ZINC000004585456 558776388 /nfs/dbraw/zinc/77/63/88/558776388.db2.gz PBSVUMWMVYDULJ-UHFFFAOYSA-N 0 0 403.869 4.529 50 0 HJAARN O=c1[nH]c(-c2cc(Br)ccc2O)nc2sc3c(c21)CCCCCC3 ZINC000016212495 558778544 /nfs/dbraw/zinc/77/85/44/558778544.db2.gz IAJCFWHEEBOYIW-UHFFFAOYSA-N 0 0 405.317 4.779 50 0 HJAARN CCN(CC)c1ccc2cc(-c3nnc(NCc4ccc(F)cc4)s3)c(=O)oc2c1 ZINC000002956100 558779857 /nfs/dbraw/zinc/77/98/57/558779857.db2.gz HYXWCHSATDBKMH-UHFFFAOYSA-N 0 0 424.501 4.909 50 0 biogenic HJAARN COc1ccccc1[C@@H](CCNc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 ZINC000016228402 558780144 /nfs/dbraw/zinc/78/01/44/558780144.db2.gz FBCJARMQMWDXIY-SFHVURJKSA-N 0 0 405.450 4.787 50 0 HJAARN CS(=O)(=O)N(CC(=O)Nc1ccc2ccccc2c1)c1ccc(Cl)c(Cl)c1 ZINC000016248359 558780694 /nfs/dbraw/zinc/78/06/94/558780694.db2.gz JDWYVBGWWPBAAK-UHFFFAOYSA-N 0 0 423.321 4.551 50 0 HJAARN Cc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-n2cccc2)c(C)c1 ZINC000004586090 558781785 /nfs/dbraw/zinc/78/17/85/558781785.db2.gz CGSLDNGNJORKOG-UHFFFAOYSA-N 0 0 417.538 4.714 50 0 HJAARN CCc1cc(=O)n2nc(N[C@H]3CCCC[C@@H]3c3ccc(C(F)(F)F)cc3)sc2n1 ZINC000072310220 558781918 /nfs/dbraw/zinc/78/19/18/558781918.db2.gz NRMIPQRDCKHRJQ-CVEARBPZSA-N 0 0 422.476 4.871 50 0 HJAARN COc1cccc(COc2ccc(-c3nc(C(=O)NC(C)C)cs3)c(F)c2)c1 ZINC000034713418 558783259 /nfs/dbraw/zinc/78/32/59/558783259.db2.gz BFMWMJPCOWDWQC-UHFFFAOYSA-N 0 0 400.475 4.675 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)CN1C(=O)C(c2ccccc2)=NC12CCC(C)CC2 ZINC000071327889 558783442 /nfs/dbraw/zinc/78/34/42/558783442.db2.gz GWBPCHHJEHVZNV-UHFFFAOYSA-N 0 0 423.944 4.825 50 0 HJAARN CCN(C[C@H]1CCN(C(=O)CCSc2ccc(C)c(C)c2)C1)CC(F)(F)F ZINC000072311406 558783939 /nfs/dbraw/zinc/78/39/39/558783939.db2.gz MOAUOWRFLVVQNK-QGZVFWFLSA-N 0 0 402.526 4.518 50 0 HJAARN COc1c(C)cccc1C(=O)NC(=S)NNc1c(Cl)cc(Cl)cc1Cl ZINC000016362340 558788188 /nfs/dbraw/zinc/78/81/88/558788188.db2.gz FEUVDHCYCMKTDR-UHFFFAOYSA-N 0 0 418.733 4.595 50 0 HJAARN O=C(CSc1nc(-c2cc3ccccc3oc2=O)cs1)Nc1ccc(F)cc1 ZINC000016525650 558795300 /nfs/dbraw/zinc/79/53/00/558795300.db2.gz LTBRRHWJPMQRSN-UHFFFAOYSA-N 0 0 412.467 4.786 50 0 HJAARN COc1ccccc1CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1F ZINC000036247583 558798640 /nfs/dbraw/zinc/79/86/40/558798640.db2.gz VXVSTMHZYHPABS-UHFFFAOYSA-N 0 0 405.878 4.883 50 0 HJAARN COc1cccc(S(=O)(=O)N(Cc2ccccc2OC)c2cccc(Cl)c2)c1 ZINC000036248525 558798744 /nfs/dbraw/zinc/79/87/44/558798744.db2.gz MFANSTGWZDLSGI-UHFFFAOYSA-N 0 0 417.914 4.753 50 0 HJAARN COc1ccc(N([C@H](C)c2ccc(C)cc2)S(=O)(=O)c2cccc(OC)c2)cc1 ZINC000036248619 558798752 /nfs/dbraw/zinc/79/87/52/558798752.db2.gz PBSDTOPNWIONRL-GOSISDBHSA-N 0 0 411.523 4.969 50 0 HJAARN CCOc1ccccc1CN(C)[C@@H](c1nnnn1-c1ccccc1C)c1ccccc1 ZINC000016677727 558798991 /nfs/dbraw/zinc/79/89/91/558798991.db2.gz WJLBBVKRUNXXEE-XMMPIXPASA-N 0 0 413.525 4.591 50 0 HJAARN O=C(CN[C@@H](c1ccccc1)c1ccc(Cl)cc1)NC(=O)Nc1ccccc1F ZINC000016684984 558799633 /nfs/dbraw/zinc/79/96/33/558799633.db2.gz WJKSZIOPBVLXBE-NRFANRHFSA-N 0 0 411.864 4.506 50 0 HJAARN CC(C)CCNC(=O)[C@@]1(C)CCc2ccccc2C(=O)N1Cc1ccc(Cl)cc1 ZINC000032977868 558803482 /nfs/dbraw/zinc/80/34/82/558803482.db2.gz PXEJWSBPRBPDOD-XMMPIXPASA-N 0 0 412.961 4.850 50 0 HJAARN CCCCCC(=O)N1CCN(c2cc(Oc3ccc(F)cc3Cl)ncn2)C[C@@H]1C ZINC000037356921 558804253 /nfs/dbraw/zinc/80/42/53/558804253.db2.gz DHGKNXGTAOVBMF-HNNXBMFYSA-N 0 0 420.916 4.679 50 0 HJAARN Fc1ccc(Oc2cc(N3CCN(c4ccccc4F)CC3)ncn2)c(Cl)c1 ZINC000037379067 558804610 /nfs/dbraw/zinc/80/46/10/558804610.db2.gz SNBMTZUXVLSTEA-UHFFFAOYSA-N 0 0 402.832 4.527 50 0 HJAARN CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(Br)cc1 ZINC000016751687 558804906 /nfs/dbraw/zinc/80/49/06/558804906.db2.gz BAIYIJRMXZFVLI-SFHVURJKSA-N 0 0 412.283 4.901 50 0 HJAARN COc1ccc(OC)c(NC(=O)COc2cc(-c3ccccc3)nc3ccccc32)c1 ZINC000032985690 558805991 /nfs/dbraw/zinc/80/59/91/558805991.db2.gz OIMGTKYOMNUEJI-UHFFFAOYSA-N 0 0 414.461 4.937 50 0 HJAARN COc1ccc(CNC(=O)COc2cc(-c3ccccc3)nc3ccc(F)cc32)cc1 ZINC000032985788 558806114 /nfs/dbraw/zinc/80/61/14/558806114.db2.gz AMTBXFOJXAUNTH-UHFFFAOYSA-N 0 0 416.452 4.745 50 0 HJAARN Cc1ccccc1CN1[C@@H](c2ccc(F)c(F)c2)Nc2ccccc2S1(=O)=O ZINC000032986801 558806807 /nfs/dbraw/zinc/80/68/07/558806807.db2.gz RPGYTOBQJXUKPF-NRFANRHFSA-N 0 0 400.450 4.588 50 0 HJAARN COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C)cc1C(C)(C)C ZINC000016780623 558806958 /nfs/dbraw/zinc/80/69/58/558806958.db2.gz KKGLMSNQZDRWGU-UHFFFAOYSA-N 0 0 412.349 4.864 50 0 HJAARN Cc1ccc(CNC(=O)CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)cc1 ZINC000016841155 558808039 /nfs/dbraw/zinc/80/80/39/558808039.db2.gz JBPRSEHJSKVHMU-UHFFFAOYSA-N 0 0 422.941 4.767 50 0 HJAARN O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCC[C@@H]2c2cccs2)C1 ZINC000032988695 558808234 /nfs/dbraw/zinc/80/82/34/558808234.db2.gz CVIGMCQVVALQMI-FUHWJXTLSA-N 0 0 402.947 4.617 50 0 HJAARN Cc1ccc(NC(=O)CN(C)C(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 ZINC000032988919 558808367 /nfs/dbraw/zinc/80/83/67/558808367.db2.gz HJEKIVKBBCRFNF-UHFFFAOYSA-N 0 0 424.504 4.558 50 0 HJAARN Cc1nc2ncnn2c(Sc2ccccc2NC(=O)c2ccc(Cl)cc2)c1C ZINC000032995745 558810062 /nfs/dbraw/zinc/81/00/62/558810062.db2.gz LEGPTUSTMKDPCR-UHFFFAOYSA-N 0 0 409.902 4.798 50 0 HJAARN COc1ccc(-c2csc(NC(=O)c3ccc(F)cc3)n2)cc1Br ZINC000016956883 558810213 /nfs/dbraw/zinc/81/02/13/558810213.db2.gz FQXYWWHGWHOSOS-UHFFFAOYSA-N 0 0 407.264 4.973 50 0 HJAARN Cc1ccc(NC(=O)Cn2cnc3c(-c4ccc(F)cc4)csc3c2=O)c(C)c1 ZINC000038486537 558811413 /nfs/dbraw/zinc/81/14/13/558811413.db2.gz PLEDKUKYGWKJAE-UHFFFAOYSA-N 0 0 407.470 4.520 50 0 HJAARN CCOc1ccc(-c2csc(NC(=O)c3cncc(Br)c3)n2)cc1 ZINC000017017125 558811818 /nfs/dbraw/zinc/81/18/18/558811818.db2.gz BRMFENKFUIWARR-UHFFFAOYSA-N 0 0 404.289 4.619 50 0 HJAARN Cc1ccc(-c2csc3c2ncn(CC(=O)Nc2ccccc2Cl)c3=O)cc1 ZINC000038651681 558813194 /nfs/dbraw/zinc/81/31/94/558813194.db2.gz CBFPDYQOHSTDON-UHFFFAOYSA-N 0 0 409.898 4.726 50 0 HJAARN COc1ccc(NC(=O)Nc2cnn(Cc3cccc4ccccc43)c2)cc1OC ZINC000017082385 558814477 /nfs/dbraw/zinc/81/44/77/558814477.db2.gz YOBKSIRHHPYFHP-UHFFFAOYSA-N 0 0 402.454 4.746 50 0 HJAARN COc1ccc(-c2cc(C(=O)NCc3csc(-c4cccc(C)c4)n3)no2)cc1 ZINC000017083171 558815597 /nfs/dbraw/zinc/81/55/97/558815597.db2.gz NQLIZQMTUBAJFO-UHFFFAOYSA-N 0 0 405.479 4.712 50 0 HJAARN CCc1ccccc1NC(=O)Nc1ccc(S(=O)(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000017090395 558819010 /nfs/dbraw/zinc/81/90/10/558819010.db2.gz GAOWDHBRGNSRRQ-CALCHBBNSA-N 0 0 415.559 4.845 50 0 HJAARN CCc1c(C)scc1C(=O)Nn1c(=O)c2c3c(sc2[nH]c1=S)C[C@H](C)CC3 ZINC000017091978 558820557 /nfs/dbraw/zinc/82/05/57/558820557.db2.gz BKZRUXCKUVVVHQ-SECBINFHSA-N 0 0 419.597 4.562 50 0 HJAARN C[C@H](Oc1cc(Cl)ccc1Cl)C1N=NC(=S)N1c1ccc2c(c1)OCCO2 ZINC000017093790 558822233 /nfs/dbraw/zinc/82/22/33/558822233.db2.gz NMBQUGOGGQBRQK-JTQLQIEISA-N 0 0 424.309 4.774 50 0 HJAARN COC(=O)c1ccccc1-c1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)o1 ZINC000017112340 558822804 /nfs/dbraw/zinc/82/28/04/558822804.db2.gz JTSQDYYIXQAQKK-UHFFFAOYSA-N 0 0 406.463 4.577 50 0 HJAARN Cc1sc(NC(=O)C(C)(C)C)c(C(=O)O[C@H](C)C(=O)Nc2cccc(C)c2)c1C ZINC000017133671 558823441 /nfs/dbraw/zinc/82/34/41/558823441.db2.gz VZFDLRSPZUPFRK-CQSZACIVSA-N 0 0 416.543 4.842 50 0 HJAARN COc1ccc(-c2cc3c(SCC(=O)Nc4c(C)cccc4C)nccn3n2)cc1 ZINC000017135773 558823593 /nfs/dbraw/zinc/82/35/93/558823593.db2.gz URKRUOUCSXYWSL-UHFFFAOYSA-N 0 0 418.522 4.753 50 0 HJAARN COc1ccc(-c2nnc(NC(=O)CSc3ccc(Cl)cc3)s2)cc1OC ZINC000017251880 558826244 /nfs/dbraw/zinc/82/62/44/558826244.db2.gz PICFOKABGFONDJ-UHFFFAOYSA-N 0 0 421.931 4.607 50 0 HJAARN COc1cc(NC(=O)Nc2ccc(C)cc2Cl)cc2sc(NC(C)=O)nc21 ZINC000033008515 558828046 /nfs/dbraw/zinc/82/80/46/558828046.db2.gz XNBZJVLEPAONFD-UHFFFAOYSA-N 0 0 404.879 4.869 50 0 HJAARN Cc1cc2nc3sc(C(=O)N[C@H](c4cccs4)C(C)C)cc(=O)n3c2cc1C ZINC000033009068 558828234 /nfs/dbraw/zinc/82/82/34/558828234.db2.gz HKPBGBGNFQHHHZ-IBGZPJMESA-N 0 0 411.552 4.715 50 0 HJAARN CC(C)(C)c1ccc(OC(=O)C2CCC(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)CC2)cc1 ZINC000017988409 558829332 /nfs/dbraw/zinc/82/93/32/558829332.db2.gz XJUBYYDFNVJAMS-NGKMOHNRSA-N 0 0 411.542 4.624 50 0 HJAARN Cc1cccc(C)c1NC(=O)[C@H](NC(=O)c1ccccc1O)c1ccc(Cl)cc1 ZINC000004592611 558830526 /nfs/dbraw/zinc/83/05/26/558830526.db2.gz IKUKKMPLIJUADU-OAQYLSRUSA-N 0 0 408.885 4.772 50 0 HJAARN CCOc1ccccc1NC(=O)COc1ccc(-c2nc(-c3ccccc3)no2)cc1 ZINC000033012582 558832280 /nfs/dbraw/zinc/83/22/80/558832280.db2.gz AAJHVXMXNMQHEB-UHFFFAOYSA-N 0 0 415.449 4.820 50 0 HJAARN CC(=O)c1ccc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 ZINC000033012598 558832459 /nfs/dbraw/zinc/83/24/59/558832459.db2.gz DVELPXIDYFDJNB-UHFFFAOYSA-N 0 0 413.433 4.624 50 0 HJAARN O=C(Oc1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1)c1ccc(Cl)cc1Cl ZINC000018241020 558834285 /nfs/dbraw/zinc/83/42/85/558834285.db2.gz KRMZSZSUXYGZKO-HOTGVXAUSA-N 0 0 418.276 4.892 50 0 HJAARN O=C(CSc1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1)N1CCCCC1 ZINC000018285512 558835507 /nfs/dbraw/zinc/83/55/07/558835507.db2.gz PKVPUPIBFOPBQS-UHFFFAOYSA-N 0 0 412.942 4.953 50 0 HJAARN CCCCCc1c(C)nn(-c2nc(CC(=O)Nc3ccccc3OC)cs2)c1C ZINC000033019322 558835788 /nfs/dbraw/zinc/83/57/88/558835788.db2.gz FWCJMYCTMOVVQP-UHFFFAOYSA-N 0 0 412.559 4.868 50 0 HJAARN CCCCCc1c(C)nn(-c2nc(CC(=O)Nc3nc(C)c(C)s3)cs2)c1C ZINC000033019387 558835892 /nfs/dbraw/zinc/83/58/92/558835892.db2.gz OWZWZTCOZYTQTH-UHFFFAOYSA-N 0 0 417.604 4.933 50 0 HJAARN COc1ccc(/C=C2\SC(=S)N(CNc3cc(Cl)ccc3C)C2=O)cc1 ZINC000001021384 558835922 /nfs/dbraw/zinc/83/59/22/558835922.db2.gz YIVMUJDTRZCMRT-MFOYZWKCSA-N 0 0 404.944 4.928 50 0 HJAARN COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1 ZINC000001189469 558836478 /nfs/dbraw/zinc/83/64/78/558836478.db2.gz JDRUIHOJTZBWRK-XMHGGMMESA-N 0 0 401.466 4.657 50 0 HJAARN COc1ccc(CCC(=O)Nc2ccccc2CCc2nc3ccccc3n2C)cc1 ZINC000033019810 558836524 /nfs/dbraw/zinc/83/65/24/558836524.db2.gz HINPSCGMXUUMME-UHFFFAOYSA-N 0 0 413.521 4.938 50 0 HJAARN CCOc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)N1CCC(C)CC1 ZINC000046005942 558838736 /nfs/dbraw/zinc/83/87/36/558838736.db2.gz LFUNKXBEPHLCSF-UHFFFAOYSA-N 0 0 420.557 4.627 50 0 HJAARN CCCCN(CC)S(=O)(=O)c1cc(-c2nc(-c3ccc(F)cc3)no2)sc1C ZINC000046141390 558840039 /nfs/dbraw/zinc/84/00/39/558840039.db2.gz CXWFNEWPJFFDID-UHFFFAOYSA-N 0 0 423.535 4.723 50 0 HJAARN Cc1cccc(C)c1NC(=O)COC(=O)c1c2ccccc2nc2c1CCCCC2 ZINC000004601941 558842862 /nfs/dbraw/zinc/84/28/62/558842862.db2.gz IIMCFJFKLZURLN-UHFFFAOYSA-N 0 0 402.494 4.916 50 0 HJAARN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)cc1 ZINC000033025852 558846527 /nfs/dbraw/zinc/84/65/27/558846527.db2.gz QOSJJKRZBUFHQZ-UHFFFAOYSA-N 0 0 408.454 4.977 50 0 HJAARN Cc1cccn2c(=O)cc(CSc3ccccc3NC(=O)c3ccccc3)nc12 ZINC000033026004 558846864 /nfs/dbraw/zinc/84/68/64/558846864.db2.gz WSZBQFKAULACGK-UHFFFAOYSA-N 0 0 401.491 4.548 50 0 HJAARN Cc1ccccc1C(=O)Nc1ccccc1SCc1cc(=O)n2cccc(C)c2n1 ZINC000033026040 558846935 /nfs/dbraw/zinc/84/69/35/558846935.db2.gz HWDNTHFRPADHFF-UHFFFAOYSA-N 0 0 415.518 4.856 50 0 HJAARN O=C(Nc1cccc(F)c1)Nc1ccccc1SCc1cc(=O)n2ccccc2n1 ZINC000033026572 558847911 /nfs/dbraw/zinc/84/79/11/558847911.db2.gz RADZMWDPWUZIBW-UHFFFAOYSA-N 0 0 420.469 4.770 50 0 HJAARN CCn1nc(C(=O)N(Cc2cccnc2)c2nc3c(cccc3Cl)s2)cc1C ZINC000013703527 558857354 /nfs/dbraw/zinc/85/73/54/558857354.db2.gz ACHBDUKCQXEIPY-UHFFFAOYSA-N 0 0 411.918 4.717 50 0 HJAARN Cc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)NCc4ccco4)c3)C2)cc1 ZINC000033034916 558858894 /nfs/dbraw/zinc/85/88/94/558858894.db2.gz VRPZHKUYTAJMIJ-QFIPXVFZSA-N 0 0 402.494 4.538 50 0 HJAARN Cc1ccc(CNC(=O)c2cccc([C@@H]3CCCN(C(=O)Nc4ccccc4)C3)c2)o1 ZINC000033035746 558859685 /nfs/dbraw/zinc/85/96/85/558859685.db2.gz IEVCBXSBHHSGCR-OAQYLSRUSA-N 0 0 417.509 4.930 50 0 HJAARN CC(C)NC(=O)N1CCC[C@@H](c2cccc(C(=O)NCc3ccccc3Cl)c2)C1 ZINC000033035951 558860068 /nfs/dbraw/zinc/86/00/68/558860068.db2.gz PZWCNCXBMJGJCS-HXUWFJFHSA-N 0 0 413.949 4.567 50 0 HJAARN O=C([O-])[C@@H]1CCC[N@H+](CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC000013729385 558861331 /nfs/dbraw/zinc/86/13/31/558861331.db2.gz UFHSGXOXBRCZTN-QGZVFWFLSA-N 0 0 408.325 4.896 50 0 HJAARN CC(=O)Nc1c(-c2ccc(F)cc2)c(C)nn1-c1ccc(C(=O)N2CCCCC2)cc1 ZINC000033037359 558861920 /nfs/dbraw/zinc/86/19/20/558861920.db2.gz QZMLRGIIYGYJPH-UHFFFAOYSA-N 0 0 420.488 4.571 50 0 HJAARN C[C@@H](C(=O)c1ccccc1)[C@@]1(O)c2ccccc2N(Cc2cccc(Cl)c2)C1=O ZINC000068713111 558864348 /nfs/dbraw/zinc/86/43/48/558864348.db2.gz VJZUDPDBUWZMHP-UPCLLVRISA-N 0 0 405.881 4.593 50 0 HJAARN CCOc1ccc(-c2n[nH]cc2C(=O)NCCc2ccc(Cl)cc2)cc1Cl ZINC000072329341 558864975 /nfs/dbraw/zinc/86/49/75/558864975.db2.gz YUAULRGAZGYPOS-UHFFFAOYSA-N 0 0 404.297 4.755 50 0 HJAARN COc1cc(NC(=O)c2cnc(N3CCCCC3)c3ccccc23)cc(OC)c1OC ZINC000033073119 558867298 /nfs/dbraw/zinc/86/72/98/558867298.db2.gz ZYUCKMNBAKDRPX-UHFFFAOYSA-N 0 0 421.497 4.503 50 0 HJAARN CCOc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)nc2c(C)cc(F)cc12 ZINC000072331388 558868030 /nfs/dbraw/zinc/86/80/30/558868030.db2.gz GWDGIXXPQZDZFV-UHFFFAOYSA-N 0 0 421.516 4.660 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000071328493 558868070 /nfs/dbraw/zinc/86/80/70/558868070.db2.gz UMGBWCLZOPDOQV-UHFFFAOYSA-N 0 0 411.177 4.562 50 0 HJAARN CSc1nnc2c(n1)O[C@H](c1ccc(Cl)cc1)N(C(C)=O)c1ccc(C)cc1-2 ZINC000033039733 558868797 /nfs/dbraw/zinc/86/87/97/558868797.db2.gz BLYIXAKGSQTRDD-LJQANCHMSA-N 0 0 412.902 4.666 50 0 HJAARN C[C@H](C(=O)NC1CCCCC1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000033113948 558875682 /nfs/dbraw/zinc/87/56/82/558875682.db2.gz DKAMHGRFQQIWMM-HNNXBMFYSA-N 0 0 415.965 4.759 50 0 HJAARN CC(C)c1ccc(N2C[C@@H](C(=O)Nc3ccccc3Br)CC2=O)cc1 ZINC000004664325 558876071 /nfs/dbraw/zinc/87/60/71/558876071.db2.gz XPWZFTNYNOPLBC-HNNXBMFYSA-N 0 0 401.304 4.564 50 0 HJAARN CC(C)CCNc1nc2ccccc2nc1S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000033114431 558876244 /nfs/dbraw/zinc/87/62/44/558876244.db2.gz SGXPIBXNKYIGAE-UHFFFAOYSA-N 0 0 403.935 4.715 50 0 HJAARN CCCNC(=O)[C@@H](C)C1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1 ZINC000033116002 558877455 /nfs/dbraw/zinc/87/74/55/558877455.db2.gz WQOYBHGCDAFUOX-KRWDZBQOSA-N 0 0 419.525 4.509 50 0 HJAARN CCCc1cc(Sc2ccc(NC(=O)c3ccc(F)cc3)cc2)n2ncnc2n1 ZINC000033121982 558878856 /nfs/dbraw/zinc/87/88/56/558878856.db2.gz YPTNKGRINIIYDR-UHFFFAOYSA-N 0 0 407.474 4.619 50 0 HJAARN C[C@]12CC3CC(C(=O)N4CCC[C@@H]4c4nc(-c5ccccn5)no4)(C1)C[C@@](C)(C3)C2 ZINC000055371355 558880436 /nfs/dbraw/zinc/88/04/36/558880436.db2.gz WDRKOKUYGVEPAR-QAEBQBLHSA-N 0 0 406.530 4.792 50 0 HJAARN Cc1cc(C)cc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCc3ccccc32)c1 ZINC000033127949 558881398 /nfs/dbraw/zinc/88/13/98/558881398.db2.gz BVYCETLAIDBWQN-QHCPKHFHSA-N 0 0 413.521 4.626 50 0 HJAARN O=C(Nc1ccc(Cl)cc1)N[C@H](Cc1ccccc1)C(=O)N1CCc2ccccc21 ZINC000033127940 558881407 /nfs/dbraw/zinc/88/14/07/558881407.db2.gz HXRBZTGZDMGADL-OAQYLSRUSA-N 0 0 419.912 4.662 50 0 HJAARN O=C(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000055538303 558881818 /nfs/dbraw/zinc/88/18/18/558881818.db2.gz SZWDYKIVNOYINX-UHFFFAOYSA-N 0 0 416.912 4.958 50 0 HJAARN O=C(Nc1ccc(F)cc1F)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000004672222 558886236 /nfs/dbraw/zinc/88/62/36/558886236.db2.gz AIITYLZZKZKQNQ-UHFFFAOYSA-N 0 0 413.251 4.763 50 0 HJAARN CCCCCCOc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2C2CC2)cc1 ZINC000004674584 558886377 /nfs/dbraw/zinc/88/63/77/558886377.db2.gz KXXSBCSCEHCXQJ-XMMPIXPASA-N 0 0 412.574 4.853 50 0 HJAARN CCOc1ccc(N2C(=O)c3n[nH]c(-c4ccc(C)cc4)c3[C@@H]2c2ccccn2)cc1 ZINC000004625152 558888415 /nfs/dbraw/zinc/88/84/15/558888415.db2.gz PFQJQXFBDWUIMO-DEOSSOPVSA-N 0 0 410.477 4.929 50 0 HJAARN c1ccc(-c2ccc(Cc3nn4c(CN5CCCCCC5)nnc4s3)cc2)cc1 ZINC000057524616 558889013 /nfs/dbraw/zinc/88/90/13/558889013.db2.gz ZSWXAMUIPMNTKN-UHFFFAOYSA-N 0 0 403.555 4.820 50 0 HJAARN Cc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)s1 ZINC000013879019 558890009 /nfs/dbraw/zinc/89/00/09/558890009.db2.gz QMOLBWFYXQZULN-HNNXBMFYSA-N 0 0 411.474 4.507 50 0 HJAARN CCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)cc1 ZINC000060368728 558890431 /nfs/dbraw/zinc/89/04/31/558890431.db2.gz OUZRLVRHFOUSMK-UHFFFAOYSA-N 0 0 420.513 4.768 50 0 HJAARN Cc1ccc([C@@H]2C[C@@H](c3cc(Cl)ccc3C(=O)C(F)F)n3ncnc3N2)cc1 ZINC000072333469 558891897 /nfs/dbraw/zinc/89/18/97/558891897.db2.gz ARQBPDXEKBWBDI-IRXDYDNUSA-N 0 0 402.832 4.834 50 0 HJAARN O=C(NC(=O)c1cc2ccccc2o/c1=N\c1ccccc1)c1cccc(Cl)c1 ZINC000072332495 558892645 /nfs/dbraw/zinc/89/26/45/558892645.db2.gz JGOJIVMNRLDWPI-BZZOAKBMSA-N 0 0 402.837 4.889 50 0 HJAARN C[C@@H]1C[C@@H](C)CN(C(=O)CCC(=O)Nc2ccc(OCCc3ccccc3)cc2)C1 ZINC000004682596 558894471 /nfs/dbraw/zinc/89/44/71/558894471.db2.gz NCNMSXIWNRRYJL-WOJBJXKFSA-N 0 0 408.542 4.531 50 0 HJAARN CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)sc2c1 ZINC000004681687 558894705 /nfs/dbraw/zinc/89/47/05/558894705.db2.gz MODBVXIYZXXSKD-UHFFFAOYSA-N 0 0 403.504 4.905 50 0 HJAARN CC(C)(C)[C@H](Cn1ccnc1)NC(=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000058014249 558895209 /nfs/dbraw/zinc/89/52/09/558895209.db2.gz PWSXXFWOKAKSBG-IBGZPJMESA-N 0 0 403.958 4.763 50 0 HJAARN Cc1nc(NC(=O)c2cccc(OCc3ccc(F)cc3)c2)sc1-c1nccn1C ZINC000058014666 558895243 /nfs/dbraw/zinc/89/52/43/558895243.db2.gz SGKLGXWGOWBHJS-UHFFFAOYSA-N 0 0 422.485 4.822 50 0 HJAARN Cn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000004685314 558895300 /nfs/dbraw/zinc/89/53/00/558895300.db2.gz HCOJLNWBFQOUHE-UHFFFAOYSA-N 0 0 418.975 4.633 50 0 HJAARN O=C(COc1ccccc1)Nc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000004686829 558895576 /nfs/dbraw/zinc/89/55/76/558895576.db2.gz RNHDSPROJGKYPN-UHFFFAOYSA-N 0 0 414.383 4.975 50 0 HJAARN C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000058019935 558895919 /nfs/dbraw/zinc/89/59/19/558895919.db2.gz DLKSBLKRMAGDKX-AWEZNQCLSA-N 0 0 403.313 4.927 50 0 HJAARN O=C(Nc1cccc(Cl)c1)NC1(c2cccc(Br)c2)CCOCC1 ZINC000058066907 558897775 /nfs/dbraw/zinc/89/77/75/558897775.db2.gz RDBVAAPBSRCZQX-UHFFFAOYSA-N 0 0 409.711 4.930 50 0 HJAARN Cc1ccc(NC(=O)[C@H]2CCCN(c3nccnc3Sc3ccccc3)C2)cc1F ZINC000033168835 558898353 /nfs/dbraw/zinc/89/83/53/558898353.db2.gz SMOPUAHAATWDOW-KRWDZBQOSA-N 0 0 422.529 4.930 50 0 HJAARN CCN(Cc1cccc(NC(=O)[C@@H](C)SCc2ccccc2)c1)C(=O)C(F)(F)F ZINC000058099673 558898891 /nfs/dbraw/zinc/89/88/91/558898891.db2.gz DMWXMHBZPPQPLJ-OAHLLOKOSA-N 0 0 424.488 4.858 50 0 HJAARN Cc1ccc(NC(=O)CSc2ncnc3c4cc(F)ccc4[nH]c32)cc1Cl ZINC000033172650 558901170 /nfs/dbraw/zinc/90/11/70/558901170.db2.gz UHQHMDLNWIGDKB-UHFFFAOYSA-N 0 0 400.866 4.943 50 0 HJAARN CCc1ccc(NS(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)sc2C)cc1 ZINC000033173801 558902182 /nfs/dbraw/zinc/90/21/82/558902182.db2.gz BLDZDXQUHWGZIY-UHFFFAOYSA-N 0 0 415.462 4.829 50 0 HJAARN COC(=O)C(C(=O)OC)[C@@H](c1ccc(Cl)cc1)[C@H](C)C(=O)c1ccc(C)cc1C ZINC000004694043 558904086 /nfs/dbraw/zinc/90/40/86/558904086.db2.gz KXZKTUCOFABAST-HNAYVOBHSA-N 0 0 416.901 4.522 50 0 HJAARN O=C(Nc1cc(NC(=O)N2CCO[C@@H]3CCCC[C@H]32)ccc1F)C1CCCCC1 ZINC000058158844 558904208 /nfs/dbraw/zinc/90/42/08/558904208.db2.gz ABISGOLJCRDKNP-WOJBJXKFSA-N 0 0 403.498 4.520 50 0 HJAARN CCN(c1ccccc1)S(=O)(=O)c1ccccc1-c1nc(-c2ccccc2)no1 ZINC000033175573 558904960 /nfs/dbraw/zinc/90/49/60/558904960.db2.gz CLSBKPLMDYEPBO-UHFFFAOYSA-N 0 0 405.479 4.619 50 0 HJAARN O=C(Nc1cc2c(cc1Cl)NC(=O)CO2)c1ccc(SC(F)(F)F)cc1 ZINC000033194473 558906838 /nfs/dbraw/zinc/90/68/38/558906838.db2.gz ZPKOGOZLMIBAGG-UHFFFAOYSA-N 0 0 402.781 4.535 50 0 HJAARN Cc1ccc(S(=O)(=O)N=[S@](=O)(c2ccccc2)[C@H](F)c2ccccc2)cc1 ZINC000071773548 558911301 /nfs/dbraw/zinc/91/13/01/558911301.db2.gz ZAGQEXRRSCLLFW-FNZWTVRRSA-N 0 0 403.500 4.879 50 0 HJAARN Cc1sc2ncnc(N3CCC[C@@H](CNC(=O)Nc4ccc(C)cc4)C3)c2c1C ZINC000058224202 558913223 /nfs/dbraw/zinc/91/32/23/558913223.db2.gz KDDWHFKWLUSIKE-KRWDZBQOSA-N 0 0 409.559 4.655 50 0 HJAARN COCCOC(=O)c1c(C)n(Cc2ccccc2F)c2c1cc(O)c1ccccc21 ZINC000004708662 558914129 /nfs/dbraw/zinc/91/41/29/558914129.db2.gz AMZHEQQSTJLJMP-UHFFFAOYSA-N 0 0 407.441 4.799 50 0 HJAARN COc1cccc(CN(C)[C@@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)c1 ZINC000058279472 558916113 /nfs/dbraw/zinc/91/61/13/558916113.db2.gz DOAKTEUGRXTKCL-SFHVURJKSA-N 0 0 421.566 4.842 50 0 HJAARN CCCc1ccc(S(=O)(=O)c2c(C(=O)N3CCCCC3)cnc3ccccc32)cc1 ZINC000033249398 558916206 /nfs/dbraw/zinc/91/62/06/558916206.db2.gz RHGGBKHJBCUNDB-UHFFFAOYSA-N 0 0 422.550 4.646 50 0 HJAARN CC1CCN(C(=O)[C@@H](NC(=O)Nc2ccc(Cl)cc2F)c2ccccc2)CC1 ZINC000058330215 558919999 /nfs/dbraw/zinc/91/99/99/558919999.db2.gz FSFKMAZYEZMHSU-IBGZPJMESA-N 0 0 403.885 4.600 50 0 HJAARN COc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccc(F)cc3)no2)c(OC)c1 ZINC000033252417 558920841 /nfs/dbraw/zinc/92/08/41/558920841.db2.gz QBYZINMIZAOBHZ-UHFFFAOYSA-N 0 0 419.412 4.812 50 0 HJAARN CCCN(CCC)C(=O)c1cnn(-c2ccccc2Cl)c1NC(=O)c1ccco1 ZINC000004723225 558922368 /nfs/dbraw/zinc/92/23/68/558922368.db2.gz KAMHBCQIMOCNIA-UHFFFAOYSA-N 0 0 414.893 4.633 50 0 HJAARN C[C@H](NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1ccc2c(c1)OCO2 ZINC000058377957 558922829 /nfs/dbraw/zinc/92/28/29/558922829.db2.gz QXBUSGCHBJHPKC-LURJTMIESA-N 0 0 408.068 4.915 50 0 HJAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-n2cccn2)nc1 ZINC000058391374 558923359 /nfs/dbraw/zinc/92/33/59/558923359.db2.gz ZSOTXWZCYSAHFF-UHFFFAOYSA-N 0 0 400.282 4.557 50 0 HJAARN Cc1cccnc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 ZINC000058391500 558923376 /nfs/dbraw/zinc/92/33/76/558923376.db2.gz WRYMQEAEDNIEOP-INIZCTEOSA-N 0 0 423.900 4.794 50 0 HJAARN CCC(=O)Nc1c(C)nc(Nc2ccc(OC)cc2)nc1Nc1ccc(OC)cc1 ZINC000033258713 558925881 /nfs/dbraw/zinc/92/58/81/558925881.db2.gz AOVJJPPXYQYFSM-UHFFFAOYSA-N 0 0 407.474 4.638 50 0 HJAARN COc1cccc(-c2nnc(-c3cccc(NC(=O)c4ccc(F)cc4F)c3)o2)c1 ZINC000004722492 558925899 /nfs/dbraw/zinc/92/58/99/558925899.db2.gz LWHYMHFQBICUDX-UHFFFAOYSA-N 0 0 407.376 4.943 50 0 HJAARN C[C@@H](c1ccccc1Cl)S(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000058439318 558927364 /nfs/dbraw/zinc/92/73/64/558927364.db2.gz RRGVEQYMUFPBGI-LBPRGKRZSA-N 0 0 401.311 4.831 50 0 HJAARN Cn1c(CCc2cccc(NC(=O)c3ccc(Br)o3)c2)nc2ccccc21 ZINC000033261451 558930833 /nfs/dbraw/zinc/93/08/33/558930833.db2.gz WOKRJVYRFQQCPA-UHFFFAOYSA-N 0 0 424.298 4.966 50 0 HJAARN CC1(C)C[C@H](NC(=O)c2ccccc2F)C[C@@](C)(CNC(=O)c2ccccc2F)C1 ZINC000004628621 558930826 /nfs/dbraw/zinc/93/08/26/558930826.db2.gz AIQJSODFQSVULY-UPCLLVRISA-N 0 0 414.496 4.710 50 0 HJAARN COc1ccc(-c2noc(CSc3ccc(-c4ccc(F)cc4)nn3)n2)cc1OC ZINC000033262509 558931377 /nfs/dbraw/zinc/93/13/77/558931377.db2.gz LNBZJYYKRZVQOS-UHFFFAOYSA-N 0 0 424.457 4.642 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)NCCc1nc2cccnc2n1Cc1ccccc1 ZINC000033263684 558932615 /nfs/dbraw/zinc/93/26/15/558932615.db2.gz ODCMKTZGFTXYAC-UHFFFAOYSA-N 0 0 419.916 4.806 50 0 HJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(C)c2)C12CCCCC2 ZINC000072401215 558935665 /nfs/dbraw/zinc/93/56/65/558935665.db2.gz JSQSLHMQBJWKBM-QFIPXVFZSA-N 0 0 406.526 4.522 50 0 HJAARN Cc1cccnc1NC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)C12CCCCC2 ZINC000072401688 558936622 /nfs/dbraw/zinc/93/66/22/558936622.db2.gz WWQWVQIVLYJPLE-OAQYLSRUSA-N 0 0 405.542 4.927 50 0 HJAARN CC(C)(C)OC(=O)NCCNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000060158766 558941552 /nfs/dbraw/zinc/94/15/52/558941552.db2.gz MVCREXDSLCCZJO-UHFFFAOYSA-N 0 0 408.420 4.627 50 0 HJAARN Cc1cccc(NC(=O)[C@@H](C)n2cnc3onc(-c4ccc(Cl)cc4)c3c2=O)c1C ZINC000033057684 558942488 /nfs/dbraw/zinc/94/24/88/558942488.db2.gz LJKFSNWMHXXNCW-CQSZACIVSA-N 0 0 422.872 4.521 50 0 HJAARN Cc1ccc([C@@H]2CC(=O)Nc3nc(SCc4ccccc4F)[nH]c(=O)c32)c(C)c1 ZINC000021784272 558949588 /nfs/dbraw/zinc/94/95/88/558949588.db2.gz PAUTXICXDKJYJX-INIZCTEOSA-N 0 0 409.486 4.705 50 0 HJAARN CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1cccc(OC)c1 ZINC000021787257 558950322 /nfs/dbraw/zinc/95/03/22/558950322.db2.gz NHTAFTPDVUKDOE-JOCHJYFZSA-N 0 0 407.514 4.588 50 0 HJAARN CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCCOc1ccc(OC)cc1 ZINC000021787028 558950379 /nfs/dbraw/zinc/95/03/79/558950379.db2.gz VBZWWAUQGSKGBJ-HSZRJFAPSA-N 0 0 421.541 4.978 50 0 HJAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c3ccoc3cc2C(=O)N1C1CCCCCC1 ZINC000021810654 558953375 /nfs/dbraw/zinc/95/33/75/558953375.db2.gz SNVYEGSGKYUZLT-XMMPIXPASA-N 0 0 411.546 4.621 50 0 HJAARN Cc1ccccc1N1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021810925 558953405 /nfs/dbraw/zinc/95/34/05/558953405.db2.gz RWGQVWGQXIBEDY-SZXMBJESSA-N 0 0 419.525 4.657 50 0 HJAARN COc1ccc(OC)c(CNC(=O)c2sc3ncccc3c2-n2c(C)ccc2C)c1 ZINC000033059989 558954226 /nfs/dbraw/zinc/95/42/26/558954226.db2.gz DAXOUTUDCAAVDA-UHFFFAOYSA-N 0 0 421.522 4.651 50 0 HJAARN Cc1ccc(NC(=O)NCCCn2c(-c3ccncc3)nc3cccnc32)c(Cl)c1 ZINC000033263852 558955994 /nfs/dbraw/zinc/95/59/94/558955994.db2.gz PCIZNNUJLURMSE-UHFFFAOYSA-N 0 0 420.904 4.667 50 0 HJAARN COc1ccc(NC(=O)CSCc2cc(=O)c3c(C)cc(C)cc3[nH]2)cc1Cl ZINC000033064082 558956925 /nfs/dbraw/zinc/95/69/25/558956925.db2.gz QOKRSBUJGVUNCX-UHFFFAOYSA-N 0 0 416.930 4.679 50 0 HJAARN Cc1ccc(NC(=O)CSCc2cc(=O)c3ccc(C)c(C)c3[nH]2)cc1Cl ZINC000033064046 558956928 /nfs/dbraw/zinc/95/69/28/558956928.db2.gz QDKTWAPUEKTBAD-UHFFFAOYSA-N 0 0 400.931 4.979 50 0 HJAARN CCc1ccc2[nH]c(CSCC(=O)Nc3cc(Cl)ccc3OC)cc(=O)c2c1 ZINC000033064303 558957202 /nfs/dbraw/zinc/95/72/02/558957202.db2.gz KCRGHOBVHUMFAO-UHFFFAOYSA-N 0 0 416.930 4.624 50 0 HJAARN CCN(Cc1ccncc1)C(=O)c1cc(-c2cnc(C)nc2)nc2c(C)c(C)ccc12 ZINC000063846580 558959514 /nfs/dbraw/zinc/95/95/14/558959514.db2.gz VQARKMBZLIPLAZ-UHFFFAOYSA-N 0 0 411.509 4.674 50 0 HJAARN COC(=O)c1ccc(Nc2c(C(=O)N3CCCC3)cnc3ccc(Cl)cc32)cc1 ZINC000064472010 558963601 /nfs/dbraw/zinc/96/36/01/558963601.db2.gz YSVICIVJLPJIHP-UHFFFAOYSA-N 0 0 409.873 4.654 50 0 HJAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1cccc(C(=O)NC2CCCC2)c1 ZINC000064816941 558966301 /nfs/dbraw/zinc/96/63/01/558966301.db2.gz CNGZGOFVKRDWDD-UHFFFAOYSA-N 0 0 410.543 4.515 50 0 HJAARN Cc1ccc(Cc2nc3ccccc3nc2S[C@@H](C)C(=O)NCc2ccco2)cc1 ZINC000033068740 558967424 /nfs/dbraw/zinc/96/74/24/558967424.db2.gz TVPRKIDVTBUYPS-KRWDZBQOSA-N 0 0 417.534 4.919 50 0 HJAARN Cc1ccc(CNC(=O)CSc2nc3ccccc3nc2Cc2ccccc2)cc1 ZINC000033068757 558967702 /nfs/dbraw/zinc/96/77/02/558967702.db2.gz SVDBHNYLOHLUQM-UHFFFAOYSA-N 0 0 413.546 4.938 50 0 HJAARN O=c1c2ccccc2c(-c2nc(-c3ccccc3)no2)nn1-c1cccc(Cl)c1 ZINC000064949844 558967914 /nfs/dbraw/zinc/96/79/14/558967914.db2.gz ZKSROYVFMJHMIQ-UHFFFAOYSA-N 0 0 400.825 4.756 50 0 HJAARN Cc1ccsc1CCNS(=O)(=O)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004905 558969673 /nfs/dbraw/zinc/96/96/73/558969673.db2.gz KMASCADFGKILGN-UHFFFAOYSA-N 0 0 422.597 4.952 50 0 HJAARN O=C(Nc1ccccc1F)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021914990 558971667 /nfs/dbraw/zinc/97/16/67/558971667.db2.gz WPUDADJVVHCELL-UHFFFAOYSA-N 0 0 403.457 4.915 50 0 HJAARN COc1ccc(-c2cc(NC(=O)COc3ccccc3C)n(-c3ccccc3)n2)cc1 ZINC000021944909 558978658 /nfs/dbraw/zinc/97/86/58/558978658.db2.gz JZPZUUANVACCCH-UHFFFAOYSA-N 0 0 413.477 4.874 50 0 HJAARN COCC1(C(=O)Nc2nn(-c3ccc(F)cc3)c3cccc(OC(C)C)c32)CCC1 ZINC000072427836 558979124 /nfs/dbraw/zinc/97/91/24/558979124.db2.gz OOGZTLPUJUQUBV-UHFFFAOYSA-N 0 0 411.477 4.707 50 0 HJAARN COc1ccc(Nc2c(C)c(C)nc3nc(Cc4cccc(F)c4)nn32)cc1Cl ZINC000021941618 558979252 /nfs/dbraw/zinc/97/92/52/558979252.db2.gz AUZBPRSFXUALOW-UHFFFAOYSA-N 0 0 411.868 4.877 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000072404596 558979361 /nfs/dbraw/zinc/97/93/61/558979361.db2.gz JROJLCIJBVOKDK-UHFFFAOYSA-N 0 0 406.917 4.525 50 0 HJAARN c1[nH]nc2c1CN(Cc1cn(Cc3ccccc3)nc1-c1cc3ccccc3o1)CC2 ZINC000072479826 558984054 /nfs/dbraw/zinc/98/40/54/558984054.db2.gz SWHOFJMYNAIGAH-UHFFFAOYSA-N 0 0 409.493 4.626 50 0 HJAARN COc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1C)CN(C)CC3 ZINC000033265598 558985744 /nfs/dbraw/zinc/98/57/44/558985744.db2.gz PJGPDHUZXLIRLI-OAHLLOKOSA-N 0 0 422.554 4.644 50 0 HJAARN COc1cc(-c2csc3ccccc32)cc2c1OCCN(C(=O)c1cc(C)n[nH]1)C2 ZINC000067489849 558986892 /nfs/dbraw/zinc/98/68/92/558986892.db2.gz HXOMFLGOTPOKHG-UHFFFAOYSA-N 0 0 419.506 4.643 50 0 HJAARN CC(C)(C)c1ccccc1NC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 ZINC000096814911 558992654 /nfs/dbraw/zinc/99/26/54/558992654.db2.gz FJLXPLUTSFPMFA-LTGZKZEYSA-N 0 0 413.481 4.867 50 0 HJAARN Cc1cc(SCC(=O)Nc2ccccc2C)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000033268958 558993468 /nfs/dbraw/zinc/99/34/68/558993468.db2.gz RUYQKHYOHGPSND-UHFFFAOYSA-N 0 0 406.486 4.883 50 0 HJAARN Cc1cc(SCC(=O)NCc2ccccc2C)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000033268993 558993627 /nfs/dbraw/zinc/99/36/27/558993627.db2.gz KXYOJKQQBSVOGZ-UHFFFAOYSA-N 0 0 420.513 4.561 50 0 HJAARN CC(=O)N1N=C(c2cccc(C)c2)C[C@H]1c1cc2cc3c(cc2nc1Cl)OCO3 ZINC000097105697 558994045 /nfs/dbraw/zinc/99/40/45/558994045.db2.gz XJEXGSOYTVUNLK-IBGZPJMESA-N 0 0 407.857 4.623 50 0 HJAARN Cc1ccc(NC(=O)N2CC[C@@H](n3c(-c4ccoc4)nc4cccnc43)C2)cc1F ZINC000097151645 558997316 /nfs/dbraw/zinc/99/73/16/558997316.db2.gz LWQLICVENTWZRH-QGZVFWFLSA-N 0 0 405.433 4.618 50 0 HJAARN Cc1ccc(NC(=O)N2CC[C@H](n3c(-c4ccoc4)nc4cccnc43)C2)cc1F ZINC000097151644 558997362 /nfs/dbraw/zinc/99/73/62/558997362.db2.gz LWQLICVENTWZRH-KRWDZBQOSA-N 0 0 405.433 4.618 50 0 HJAARN CC(C)(C)OC(=O)COC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000097994156 559011293 /nfs/dbraw/zinc/01/12/93/559011293.db2.gz JOMAWHGVPLBLEK-KAMYIIQDSA-N 0 0 422.456 4.577 50 0 HJAARN COc1cc(/C=C\C(=O)Nc2ccccc2Cc2ccccc2)cc2c1OCCO2 ZINC000097996448 559011762 /nfs/dbraw/zinc/01/17/62/559011762.db2.gz NVRZJEOVMXPNJZ-QXMHVHEDSA-N 0 0 401.462 4.709 50 0 HJAARN C[C@H](NC(=O)c1ccc(C=C2SC(=O)NC2=O)cc1)c1cccc(C(F)(F)F)c1 ZINC000096925220 559013007 /nfs/dbraw/zinc/01/30/07/559013007.db2.gz IPNYFKABAUBCKQ-UJFYRASASA-N 0 0 420.412 4.520 50 0 HJAARN O=C(c1ccccc1C(F)(F)F)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 ZINC000023140288 559020149 /nfs/dbraw/zinc/02/01/49/559020149.db2.gz AFXCQCDKYXYHFI-GFCCVEGCSA-N 0 0 407.417 4.837 50 0 HJAARN O=C(Cn1c2ccccc2nc1-c1ccccn1)Nc1ccc(OC(F)(F)F)cc1 ZINC000023144061 559020974 /nfs/dbraw/zinc/02/09/74/559020974.db2.gz JHKPBVMTGNVYSQ-UHFFFAOYSA-N 0 0 412.371 4.636 50 0 HJAARN CCSc1ccc(CC(=O)N(CCn2cccn2)c2nc3ccccc3s2)cc1 ZINC000023144737 559021089 /nfs/dbraw/zinc/02/10/89/559021089.db2.gz WLFZYHQAOJYOIP-UHFFFAOYSA-N 0 0 422.579 4.881 50 0 HJAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccccc3C)sc2c1 ZINC000033271664 559033098 /nfs/dbraw/zinc/03/30/98/559033098.db2.gz HDXQCMWLDNXJDE-QGZVFWFLSA-N 0 0 418.522 4.972 50 0 HJAARN 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DRWQDCRFPGDCOZ-UHFFFAOYSA-N 0 0 403.404 4.614 50 0 HJAARN O=C(CS[C@H]1CCc2ccccc2NC1=O)NCc1ccc(Cl)cc1Cl ZINC000011865926 559264015 /nfs/dbraw/zinc/26/40/15/559264015.db2.gz NVZAYSZQRNHLCJ-KRWDZBQOSA-N 0 0 409.338 4.946 50 0 HJAARN CC(C)OCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Cl)cc1 ZINC000005157942 559265071 /nfs/dbraw/zinc/26/50/71/559265071.db2.gz YGEBWKAOIPRCLU-HXUWFJFHSA-N 0 0 411.885 4.807 50 0 HJAARN CC(C)[C@H](OC[C@H]1CCCO1)C(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000248172707 559268259 /nfs/dbraw/zinc/26/82/59/559268259.db2.gz SWUFIEQSZKXKRR-CRZGMKCWSA-N 0 0 419.565 4.620 50 0 HJAARN C[C@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1nc(-c2ccccc2)c[nH]1 ZINC000062580816 559273735 /nfs/dbraw/zinc/27/37/35/559273735.db2.gz MYFUDKXDMVHXRO-AWEZNQCLSA-N 0 0 422.435 4.820 50 0 HJAARN Cc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 ZINC000005164505 559275896 /nfs/dbraw/zinc/27/58/96/559275896.db2.gz PDSPAQGEIPIYAN-OAQYLSRUSA-N 0 0 400.409 4.694 50 0 HJAARN Oc1ccc2c(c1)Oc1ncn3nc(-c4ccc(F)cc4)nc3c1[C@H]2c1ccccc1 ZINC000005164495 559275922 /nfs/dbraw/zinc/27/59/22/559275922.db2.gz HTMBAPHXKLFYEM-FQEVSTJZSA-N 0 0 410.408 4.922 50 0 HJAARN Cc1ccccc1[C@@H]1c2c(O)n(-c3ccc(Cl)cc3)c(O)c2ON1c1ccccc1 ZINC000137627529 559280645 /nfs/dbraw/zinc/28/06/45/559280645.db2.gz GYMNKLBWYBVUMP-BHDDXSALSA-N 0 0 418.880 4.700 50 0 HJAARN CC[C@H](Nc1ncnc2nc[nH]c21)c1oc2ccccc2c(=O)c1-c1cccc(F)c1 ZINC000220062787 559281412 /nfs/dbraw/zinc/28/14/12/559281412.db2.gz HDXDQPRPFRKGKZ-INIZCTEOSA-N 0 0 415.428 4.829 50 0 HJAARN O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000000829472 559281870 /nfs/dbraw/zinc/28/18/70/559281870.db2.gz VCYWPDBDGYFVMY-LJQANCHMSA-N 0 0 407.495 4.550 50 0 HJAARN Cc1cccc(-c2nnc(SCc3cn4ccccc4n3)n2Cc2ccco2)c1 ZINC000005174100 559288324 /nfs/dbraw/zinc/28/83/24/559288324.db2.gz RGBWWGVZVXFYBK-UHFFFAOYSA-N 0 0 401.495 4.835 50 0 HJAARN C[C@@H]1Cc2ccccc2N1Cc1cc(=O)c(OCC(=O)c2ccc(Cl)cc2)co1 ZINC000005184529 559290440 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biogenic,in-vitro HJAARN COc1cc(C(=O)CCNc2ccc(OCc3ccccc3)cc2)cc(OC)c1OC ZINC000012418493 560211851 /nfs/dbraw/zinc/21/18/51/560211851.db2.gz PESMRYIGNUOATF-UHFFFAOYSA-N 0 0 421.493 4.976 50 0 biogenic,in-vitro HJAARN COc1ccc(-c2nc(C)c(C(=O)Nc3nc(-c4ccccn4)cs3)s2)cc1 ZINC000061719937 560536339 /nfs/dbraw/zinc/53/63/39/560536339.db2.gz HMSSAFYXAMEYNS-UHFFFAOYSA-N 0 0 408.508 4.898 50 0 HJAARN C1OC2(CCCCC2)O[C@H]1[C@@H]1OC2(CCCCC2)O[C@H]1[C@@H]1COC2(CCCCC2)O1 ZINC000005214492 560542922 /nfs/dbraw/zinc/54/29/22/560542922.db2.gz WGMZNGZBEGHRHH-WOZUAGRISA-N 0 0 422.562 4.582 50 0 HJAARN CCN(C(=O)CCc1ncc(-c2ccc(C)cc2)o1)[C@@H](COC)Cc1ccccc1 ZINC000078971444 560541106 /nfs/dbraw/zinc/54/11/06/560541106.db2.gz HZMGXVGFMHNXFA-JOCHJYFZSA-N 0 0 406.526 4.689 50 0 HJAARN C[C@H](NC(=O)[C@H](C)Oc1ccccc1Cl)c1noc(-c2ccc(Cl)cc2)n1 ZINC000079024809 560541381 /nfs/dbraw/zinc/54/13/81/560541381.db2.gz WRUCMRQUIDWXQE-RYUDHWBXSA-N 0 0 406.269 4.688 50 0 HJAARN 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Cc1ccc(NC(=O)CN2c3ncccc3N=C(c3cccc(Cl)c3)CC2=O)cc1 ZINC000101880917 560804327 /nfs/dbraw/zinc/80/43/27/560804327.db2.gz KQQUCRRELMDUJY-UHFFFAOYSA-N 0 0 418.884 4.540 50 0 HJAARN O=C(CN1c2ccccc2N=C2CCC[C@@H]2C1=O)Nc1ccc(C(F)(F)F)cc1 ZINC000101945788 560805431 /nfs/dbraw/zinc/80/54/31/560805431.db2.gz UIZSSUXBJBNTAP-HNNXBMFYSA-N 0 0 401.388 4.563 50 0 HJAARN c1c([C@@H]2CC(c3ccccc3)=Nc3nnnn32)c(-c2ccccc2)nn1-c1ccccc1 ZINC000102175037 560808312 /nfs/dbraw/zinc/80/83/12/560808312.db2.gz UNTCFDANCMKUCG-QHCPKHFHSA-N 0 0 417.476 4.582 50 0 HJAARN O=C1C[C@@H](c2ccccc2)CC2=Nc3nc(C(F)(F)F)nn3[C@@H](c3ccco3)C12 ZINC000102668248 560819457 /nfs/dbraw/zinc/81/94/57/560819457.db2.gz BWJXPGMHBFROEJ-SJCJKPOMSA-N 0 0 400.360 4.955 50 0 HJAARN O=C1C[C@@H](c2ccccc2)CC2=Nc3nc(C(F)(F)F)nn3[C@H](c3ccco3)C12 ZINC000102668255 560819483 /nfs/dbraw/zinc/81/94/83/560819483.db2.gz BWJXPGMHBFROEJ-YVEFUNNKSA-N 0 0 400.360 4.955 50 0 HJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000102723845 560821613 /nfs/dbraw/zinc/82/16/13/560821613.db2.gz MUTCSHDRYWFKDV-ISJGIBHGSA-N 0 0 420.468 4.891 50 0 HJAARN COc1ccc(-c2csc(C3=C(N)N(c4cccc(NC(C)=O)c4)CC3=O)n2)cc1 ZINC000102732602 560822662 /nfs/dbraw/zinc/82/26/62/560822662.db2.gz MUHDDVAFYIJAJV-UHFFFAOYSA-N 0 0 420.494 4.544 50 0 HJAARN COc1ccc(-c2csc(C3=C(N)N(c4ccccc4OC)CC3=O)n2)cc1OC ZINC000102735115 560822887 /nfs/dbraw/zinc/82/28/87/560822887.db2.gz VCCCOGAFHXVAAI-UHFFFAOYSA-N 0 0 423.494 4.602 50 0 HJAARN CCOC(=O)c1cccc(N2CC(=O)C(c3nc(-c4ccccc4)cs3)=C2N)c1 ZINC000102716190 560823278 /nfs/dbraw/zinc/82/32/78/560823278.db2.gz AFISKXRMSAPMCU-UHFFFAOYSA-N 0 0 405.479 4.753 50 0 HJAARN COc1ccc(-c2csc(C3=C(N)N(Cc4cccc(OC)c4)CC3=O)n2)cc1 ZINC000102717507 560823351 /nfs/dbraw/zinc/82/33/51/560823351.db2.gz KXPZPPZNRNBRRZ-UHFFFAOYSA-N 0 0 407.495 4.589 50 0 HJAARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4N[C@@H]3c3ccc(OC)cc3)C2)cc1 ZINC000102751380 560825585 /nfs/dbraw/zinc/82/55/85/560825585.db2.gz 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O=C(CN(Cc1ccco1)C(=O)c1cc(Cl)sc1Cl)Nc1ccccc1 ZINC000024502277 560842284 /nfs/dbraw/zinc/84/22/84/560842284.db2.gz USHRBMPGTBANHI-UHFFFAOYSA-N 0 0 409.294 4.929 50 0 HJAARN O=C(c1ccccc1)c1ccc(NC=C2N=C(c3ccc(Cl)cc3)OC2=O)cc1 ZINC000103840471 560844562 /nfs/dbraw/zinc/84/45/62/560844562.db2.gz STKXNUNAASORGT-XSFVSMFZSA-N 0 0 402.837 4.828 50 0 HJAARN O=C(/C=C/c1ccc(Cl)cc1)OCc1nc(-c2ccc(Br)cc2)no1 ZINC000051315188 560855848 /nfs/dbraw/zinc/85/58/48/560855848.db2.gz CWMWJQICPBYIJF-XCVCLJGOSA-N 0 0 419.662 4.909 50 0 HJAARN Cc1cc(NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)ccc1Cl ZINC000051317174 560857337 /nfs/dbraw/zinc/85/73/37/560857337.db2.gz BNZDTOYHORXLJU-UHFFFAOYSA-N 0 0 410.905 4.549 50 0 HJAARN CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nn(-c3ccccc3)c(=S)s2)c1 ZINC000004892699 560879445 /nfs/dbraw/zinc/87/94/45/560879445.db2.gz RTBKBTNBLXFESA-CYBMUJFWSA-N 0 0 415.565 4.985 50 0 HJAARN NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000110572281 560880240 /nfs/dbraw/zinc/88/02/40/560880240.db2.gz KHMRTKOBQZNUBE-COXVUDFISA-N 0 0 412.946 4.635 50 0 HJAARN COc1cc(/C=C/C(=O)NCCc2ccc(Cl)cc2Cl)ccc1OC(F)F ZINC000003254397 560886751 /nfs/dbraw/zinc/88/67/51/560886751.db2.gz BAZPBHXUTMWGAU-XVNBXDOJSA-N 0 0 416.251 4.976 50 0 HJAARN Cc1cccc(OCCSc2nc3ccccc3n2CC(=O)N2CCCC[C@@H]2C)c1 ZINC000012062366 560888013 /nfs/dbraw/zinc/88/80/13/560888013.db2.gz HJRBJYBIOLTWKJ-IBGZPJMESA-N 0 0 423.582 4.917 50 0 HJAARN CCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 ZINC000012062727 560888109 /nfs/dbraw/zinc/88/81/09/560888109.db2.gz KOBUCMAEDXYVMM-MRXNPFEDSA-N 0 0 409.486 4.973 50 0 HJAARN COc1ccc(OC)c2sc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)nc21 ZINC000012080557 560889055 /nfs/dbraw/zinc/88/90/55/560889055.db2.gz QOEQLPJTLFAAII-UHFFFAOYSA-N 0 0 418.474 4.797 50 0 HJAARN COc1cccc(COc2c[nH]c(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2=O)c1 ZINC000012169533 560890697 /nfs/dbraw/zinc/89/06/97/560890697.db2.gz NKXYMFZWJNKATI-UHFFFAOYSA-N 0 0 419.264 4.934 50 0 HJAARN Fc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc4c(c3)OCCO4)=NN21 ZINC000106617380 560892737 /nfs/dbraw/zinc/89/27/37/560892737.db2.gz NMQFIBJTBABNOV-GBXCKJPGSA-N 0 0 402.425 4.839 50 0 HJAARN CC(C)c1cc(C(=O)Nc2ccc3c(c2)OCCO3)nn1-c1nc2ccccc2s1 ZINC000012223571 560893716 /nfs/dbraw/zinc/89/37/16/560893716.db2.gz NOHXEYRPUAFRBA-UHFFFAOYSA-N 0 0 420.494 4.629 50 0 HJAARN COC(=O)c1ccc(COc2cc(C)c3c(C)nn(-c4ccc(C)cc4)c3n2)cc1 ZINC000045995524 568423222 /nfs/dbraw/zinc/42/32/22/568423222.db2.gz FYEFTCCSXJZSJC-UHFFFAOYSA-N 0 0 401.466 4.711 50 0 HJAARN Cc1cccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc(F)cc3)n2)c1 ZINC000046012053 568423249 /nfs/dbraw/zinc/42/32/49/568423249.db2.gz HUANZRKHNYJMCJ-UHFFFAOYSA-N 0 0 403.413 4.869 50 0 HJAARN COc1cccc(NC(=O)COc2ccccc2-c2nc(-c3cccc(C)c3)no2)c1 ZINC000046012070 568423332 /nfs/dbraw/zinc/42/33/32/568423332.db2.gz OIKHRJNROCDHJA-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN Cc1cccc(-c2noc(-c3ccccc3OCC(=O)N(C)Cc3ccccc3)n2)c1 ZINC000046012097 568423421 /nfs/dbraw/zinc/42/34/21/568423421.db2.gz OGCKWUIRBSGXRH-UHFFFAOYSA-N 0 0 413.477 4.749 50 0 HJAARN C[C@H](C(=O)Nc1cccc(NC(=O)N2CCC[C@@H]2c2ccsc2)c1)n1cccn1 ZINC000046007146 568423629 /nfs/dbraw/zinc/42/36/29/568423629.db2.gz DPLPYFXLWBGHPW-DNVCBOLYSA-N 0 0 409.515 4.513 50 0 HJAARN Cc1cccc(N(Cc2nc3nc(C)cc(C)n3n2)C(=O)c2cccc(Cl)c2)c1 ZINC000046020679 568424072 /nfs/dbraw/zinc/42/40/72/568424072.db2.gz PTMLMEQTLXCZAW-UHFFFAOYSA-N 0 0 405.889 4.550 50 0 HJAARN O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000046044020 568424829 /nfs/dbraw/zinc/42/48/29/568424829.db2.gz CESWQZWTBNKUPM-MRXNPFEDSA-N 0 0 424.850 4.527 50 0 HJAARN Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3cccc4ccccc43)C2)c1C ZINC000046045053 568425016 /nfs/dbraw/zinc/42/50/16/568425016.db2.gz JOHBSKSRHKWTQA-JOCHJYFZSA-N 0 0 400.522 4.876 50 0 HJAARN Cc1ccc(C)c(CNC(=O)[C@H]2CCCN(C(=O)Cc3cccc4ccccc43)C2)c1 ZINC000046045290 568425166 /nfs/dbraw/zinc/42/51/66/568425166.db2.gz QGTKOZASCBFTGG-QHCPKHFHSA-N 0 0 414.549 4.554 50 0 HJAARN COc1ccccc1C(=O)c1cn(Cc2ccc(Cl)cc2)c2nc(C)ccc2c1=O ZINC000046053786 568425479 /nfs/dbraw/zinc/42/54/79/568425479.db2.gz VVZOWMQAAWYKAU-UHFFFAOYSA-N 0 0 418.880 4.646 50 0 HJAARN Cc1ccc2c(c1)Oc1cc(Cl)c(S(=O)(=O)N3CCCCCC3)cc1C(=O)N2 ZINC000046077572 568427323 /nfs/dbraw/zinc/42/73/23/568427323.db2.gz RJLNOSGEGCWVRO-UHFFFAOYSA-N 0 0 420.918 4.571 50 0 HJAARN COc1ccc(NC2(c3nnnn3-c3cccc(C(F)(F)F)c3)CCCCC2)cc1 ZINC000046078281 568427413 /nfs/dbraw/zinc/42/74/13/568427413.db2.gz BZFWBHADRZPWOD-UHFFFAOYSA-N 0 0 417.435 4.961 50 0 HJAARN Cc1ccc2c(c1)NC(=O)c1cc(S(=O)(=O)N(C)C3CCCC3)c(Cl)cc1O2 ZINC000046077682 568427440 /nfs/dbraw/zinc/42/74/40/568427440.db2.gz WPEUSVOTCXUDOS-UHFFFAOYSA-N 0 0 420.918 4.570 50 0 HJAARN CC(C)[C@@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)N(C)c1ccccc1 ZINC000048235011 568432731 /nfs/dbraw/zinc/43/27/31/568432731.db2.gz QOAVQKADLCZASQ-HXUWFJFHSA-N 0 0 417.538 4.595 50 0 HJAARN Cc1nn(CC(C)C)c2sc(C(=O)N3CCC([C@@H](O)c4ccccc4)CC3)cc12 ZINC000048273458 568434028 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CSc1nc2ccc3nc(NC(=O)c4ccc(N(C)C)cc4)sc3c2s1 ZINC000049026007 568445603 /nfs/dbraw/zinc/44/56/03/568445603.db2.gz QBOPPRYINHOGPY-UHFFFAOYSA-N 0 0 400.554 4.946 50 0 HJAARN Cc1nc(C)c(-c2nnc(NC(=O)C3c4ccccc4Oc4ccccc43)o2)s1 ZINC000049029307 568445640 /nfs/dbraw/zinc/44/56/40/568445640.db2.gz YVZLTSIYJMBXEF-UHFFFAOYSA-N 0 0 404.451 4.686 50 0 HJAARN Cc1cc(C)c2c(n1)sc1c2nc(C)n(CC(=O)Nc2ccc(C(C)C)cc2)c1=O ZINC000049004070 568446618 /nfs/dbraw/zinc/44/66/18/568446618.db2.gz PXBDSGXJUNWNEC-UHFFFAOYSA-N 0 0 420.538 4.694 50 0 HJAARN Cc1ccc(NC(=O)CSc2ccc(-c3nc(-c4ccccc4)no3)cn2)c(F)c1 ZINC000049405490 568448688 /nfs/dbraw/zinc/44/86/88/568448688.db2.gz DPXYWBZXYPUOHA-UHFFFAOYSA-N 0 0 420.469 4.977 50 0 HJAARN COC(=O)c1cccc(Nc2c(-c3nc(C(C)C)no3)cnc3nc(C)ccc32)c1 ZINC000049420755 568450308 /nfs/dbraw/zinc/45/03/08/568450308.db2.gz CWVJGUHMAZBMIE-UHFFFAOYSA-N 0 0 403.442 4.642 50 0 HJAARN Cc1ccc(C(=O)Nc2ccc(Cn3cnc(C(=O)Nc4ccccc4)c3)cc2)cc1 ZINC000049422254 568450747 /nfs/dbraw/zinc/45/07/47/568450747.db2.gz YAVDISHNDGKBNW-UHFFFAOYSA-N 0 0 410.477 4.744 50 0 HJAARN CC(C)COc1ccc([C@@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc1 ZINC000049547576 568451569 /nfs/dbraw/zinc/45/15/69/568451569.db2.gz TZQPWDIPBYEGCI-IBGZPJMESA-N 0 0 408.523 4.682 50 0 HJAARN O=C(/C=C/c1ccccc1Cl)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2 ZINC000049510865 568452308 /nfs/dbraw/zinc/45/23/08/568452308.db2.gz QFYPALFVORLFDD-CSKARUKUSA-N 0 0 406.869 4.783 50 0 HJAARN O=C(Oc1cccc2cccnc21)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000049590383 568453015 /nfs/dbraw/zinc/45/30/15/568453015.db2.gz SANKJAPXIYVWIS-UHFFFAOYSA-N 0 0 410.473 4.846 50 0 HJAARN CSCC[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1 ZINC000006016729 568454651 /nfs/dbraw/zinc/45/46/51/568454651.db2.gz ODQIMSBYXICHKL-INIZCTEOSA-N 0 0 424.353 4.859 50 0 aggregator HJAARN CCOC(=O)c1c(C)oc2cc(Br)c(OC(=O)c3ccccc3)cc21 ZINC000000623928 568455665 /nfs/dbraw/zinc/45/56/65/568455665.db2.gz PRIFCUNEVCZRPO-UHFFFAOYSA-N 0 0 403.228 4.900 50 0 HJAARN CCOc1cc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cc(Cl)c1OC(C)C ZINC000000623273 568455723 /nfs/dbraw/zinc/45/57/23/568455723.db2.gz QKKQQVOGLCDAMW-WOJGMQOQSA-N 0 0 415.873 4.879 50 0 HJAARN O=C(N[C@H](Nc1ccc(Br)cc1)C(=O)c1ccccc1)c1cccs1 ZINC000000631734 568456468 /nfs/dbraw/zinc/45/64/68/568456468.db2.gz XBAIFYWOFPYBPX-SFHVURJKSA-N 0 0 415.312 4.562 50 0 HJAARN COc1ccc(-c2nc(CSc3ncn(-c4ccccc4)n3)cs2)cc1OC ZINC000012267689 568456898 /nfs/dbraw/zinc/45/68/98/568456898.db2.gz AENSIBBHKGGDCT-UHFFFAOYSA-N 0 0 410.524 4.700 50 0 HJAARN COc1cccc(C(=O)Oc2ccc3c(c2)occ(-c2ccccc2OC)c3=O)c1 ZINC000000645461 568457147 /nfs/dbraw/zinc/45/71/47/568457147.db2.gz RYWKGDNUBKWVLT-UHFFFAOYSA-N 0 0 402.402 4.696 50 0 biogenic HJAARN C[C@@H]1CC[C@H](C)N(C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)C1 ZINC000000647217 568457314 /nfs/dbraw/zinc/45/73/14/568457314.db2.gz SFUSILZIDFJXLJ-KGLIPLIRSA-N 0 0 402.420 4.676 50 0 HJAARN COc1ccc(NC(=O)c2sc3nc(-c4cccs4)ccc3c2N)c(OC)c1 ZINC000000660315 568460140 /nfs/dbraw/zinc/46/01/40/568460140.db2.gz QYKBZDAUSMFJHL-UHFFFAOYSA-N 0 0 411.508 4.877 50 0 HJAARN COc1ccc([C@@H]2CCCN2Cn2nc(NC(C)(C)C)sc2=S)c(OC)c1 ZINC000024758169 568461428 /nfs/dbraw/zinc/46/14/28/568461428.db2.gz UETOTXFCCQINPT-HNNXBMFYSA-N 0 0 408.593 4.696 50 0 HJAARN Cc1ccccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1Br ZINC000000682354 568461679 /nfs/dbraw/zinc/46/16/79/568461679.db2.gz WPAKRDZARZWKMY-NSHDSACASA-N 0 0 413.109 4.926 50 0 HJAARN CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000024776803 568462353 /nfs/dbraw/zinc/46/23/53/568462353.db2.gz LAWYAYNBVLDISF-HXUWFJFHSA-N 0 0 409.486 4.513 50 0 HJAARN O=C(CCc1c[nH]c2ccccc12)N1CCc2[nH]c3c(cccc3Br)c2C1 ZINC000012296399 568462687 /nfs/dbraw/zinc/46/26/87/568462687.db2.gz VKBOFDXRFAZHPD-UHFFFAOYSA-N 0 0 422.326 4.929 50 0 biogenic HJAARN CC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1C ZINC000024778084 568462699 /nfs/dbraw/zinc/46/26/99/568462699.db2.gz WEMCVEPTAOWAQY-UHFFFAOYSA-N 0 0 420.366 4.549 50 0 HJAARN COc1cccc2[nH]c(C(=O)N3CCc4[nH]c5c(cccc5Br)c4C3)cc21 ZINC000012297061 568462909 /nfs/dbraw/zinc/46/29/09/568462909.db2.gz ZODJUNDLYATQPR-UHFFFAOYSA-N 0 0 424.298 4.619 50 0 biogenic HJAARN Cc1cc(=O)oc2cc(OC(=O)c3ccccc3)cc(OC(=O)c3ccccc3)c12 ZINC000000709652 568463680 /nfs/dbraw/zinc/46/36/80/568463680.db2.gz SJNKEHYTCVCBCH-UHFFFAOYSA-N 0 0 400.386 4.540 50 0 HJAARN O=C(Nc1ccc(F)cc1F)c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1 ZINC000000719042 568466037 /nfs/dbraw/zinc/46/60/37/568466037.db2.gz WFZXCLUIZAWCRO-UHFFFAOYSA-N 0 0 424.741 4.808 50 0 HJAARN CCOc1cc(/C=C2/N=C(c3ccc4ccccc4c3)OC2=O)ccc1OC(=O)CC ZINC000000728537 568469182 /nfs/dbraw/zinc/46/91/82/568469182.db2.gz YEZUIWFWFQAVMS-DEDYPNTBSA-N 0 0 415.445 4.898 50 0 HJAARN CCC(CC)C(=O)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc2nccnc2c1 ZINC000012322537 568471390 /nfs/dbraw/zinc/47/13/90/568471390.db2.gz XQOKAGPPIVAHBU-QHCPKHFHSA-N 0 0 402.498 4.752 50 0 HJAARN COc1ccc(-c2cc(-c3nn4c(nnc4-c4ccc(Cl)cc4)s3)n[nH]2)cc1 ZINC000012323618 568471482 /nfs/dbraw/zinc/47/14/82/568471482.db2.gz IVLGYMJTPXMFRB-UHFFFAOYSA-N 0 0 408.874 4.572 50 0 HJAARN CCOC(=O)CSc1nnc(Nc2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000000754998 568472105 /nfs/dbraw/zinc/47/21/05/568472105.db2.gz YMJAZOLGRFELGC-UHFFFAOYSA-N 0 0 423.325 4.973 50 0 HJAARN COc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(C)c(C)c3)c3ccccn32)cc1 ZINC000012342007 568483329 /nfs/dbraw/zinc/48/33/29/568483329.db2.gz SARHUKXBQMXJHX-UHFFFAOYSA-N 0 0 413.477 4.630 50 0 HJAARN Cc1cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2C2CC2)c(C)n1C ZINC000007790295 568484938 /nfs/dbraw/zinc/48/49/38/568484938.db2.gz QMZFIXFGRFGEGT-UHFFFAOYSA-N 0 0 405.527 4.692 50 0 HJAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000007823603 568485261 /nfs/dbraw/zinc/48/52/61/568485261.db2.gz DXCWGUVOVXYRAE-UHFFFAOYSA-N 0 0 423.516 4.709 50 0 HJAARN COc1ccc([C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)Nc3ncnn32)cc1OC ZINC000000803094 568485653 /nfs/dbraw/zinc/48/56/53/568485653.db2.gz UYHGBEIZHCDFHG-HZPDHXFCSA-N 0 0 405.285 4.748 50 0 HJAARN Cc1nc(-c2cccc(NC(=O)CCn3c(=O)oc4cc(Cl)ccc43)c2)cs1 ZINC000008156907 568492179 /nfs/dbraw/zinc/49/21/79/568492179.db2.gz DMGKTRUVRDGYKX-UHFFFAOYSA-N 0 0 413.886 4.709 50 0 HJAARN CC(=O)Cc1nsc(NC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)oc2C)n1 ZINC000000818258 568496615 /nfs/dbraw/zinc/49/66/15/568496615.db2.gz DXEKJTWHBRLYOD-UHFFFAOYSA-N 0 0 410.282 4.797 50 0 HJAARN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2)ccc1F ZINC000023074763 568505265 /nfs/dbraw/zinc/50/52/65/568505265.db2.gz BJFZPOJBFYWMHK-MRXNPFEDSA-N 0 0 424.497 4.526 50 0 HJAARN COc1ccc2[nH]c(C(=O)NC3CCCCCC3)c(NC(=O)c3ccccc3)c2c1 ZINC000033252538 568511962 /nfs/dbraw/zinc/51/19/62/568511962.db2.gz RJQVEYHCZWFUGS-UHFFFAOYSA-N 0 0 405.498 4.881 50 0 HJAARN COc1cccc(-c2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)no2)c1 ZINC000033276445 568512550 /nfs/dbraw/zinc/51/25/50/568512550.db2.gz YQLAQMUWUSYTRD-UHFFFAOYSA-N 0 0 421.478 4.521 50 0 HJAARN CCOC(=O)c1ccc(NC(=O)c2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1 ZINC000033278888 568512584 /nfs/dbraw/zinc/51/25/84/568512584.db2.gz BEHWZZYCOVJEKQ-UHFFFAOYSA-N 0 0 413.433 4.833 50 0 HJAARN COc1ccc(NC(=O)COc2cccc(-c3noc(-c4ccc(C)cc4)n3)c2)cc1 ZINC000033327251 568513933 /nfs/dbraw/zinc/51/39/33/568513933.db2.gz SJJOENMESPYKOG-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000000840002 568515086 /nfs/dbraw/zinc/51/50/86/568515086.db2.gz BSVAZWLCTDVIEU-UHFFFAOYSA-N 0 0 414.914 4.726 50 0 HJAARN Nc1nc2nc(-c3ccc(OCc4ccccc4Cl)cc3)cc(C(F)(F)F)n2n1 ZINC000020060093 568586949 /nfs/dbraw/zinc/58/69/49/568586949.db2.gz BBIRIUWUUGOMQC-UHFFFAOYSA-N 0 0 419.794 4.625 50 0 HJAARN Cc1c(Cl)cccc1NC(=S)N(CCCN1CCOCC1)Cc1cccs1 ZINC000020107784 568588278 /nfs/dbraw/zinc/58/82/78/568588278.db2.gz HAFPAPPCAQUJJB-UHFFFAOYSA-N 0 0 424.035 4.631 50 0 HJAARN CCSC1=N/C(=C\c2ccc(OC)cc2OC)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000020152169 568590889 /nfs/dbraw/zinc/59/08/89/568590889.db2.gz DXGQNMZKGKMVPE-MFOYZWKCSA-N 0 0 420.893 4.993 50 0 HJAARN O=S(=O)(N[C@@H](c1ccsc1)c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000390826235 568591248 /nfs/dbraw/zinc/59/12/48/568591248.db2.gz GAEMWUCMZHXAEH-HNNXBMFYSA-N 0 0 403.472 4.896 50 0 HJAARN O=S(=O)(N[C@H](c1ccsc1)c1cccs1)c1ccccc1OC(F)(F)F ZINC000390831314 568592276 /nfs/dbraw/zinc/59/22/76/568592276.db2.gz RERGWVUHFZFAJM-OAHLLOKOSA-N 0 0 419.471 4.776 50 0 HJAARN Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)NCc3ccc(C)cc3)c12 ZINC000020283549 568596707 /nfs/dbraw/zinc/59/67/07/568596707.db2.gz YTHGMGKIFKXCMQ-UHFFFAOYSA-N 0 0 404.901 4.929 50 0 HJAARN Cc1cc(Nc2c3[nH]cccc-3c(=O)n2Cc2cccs2)ccc1Br ZINC000020319767 568598575 /nfs/dbraw/zinc/59/85/75/568598575.db2.gz AHHFBESIBNIGCN-SFHVURJKSA-N 0 0 414.328 4.981 50 0 HJAARN Cc1nc(Cc2ccccc2)sc1C(=O)N1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000095350585 568601054 /nfs/dbraw/zinc/60/10/54/568601054.db2.gz OOJVYNZDMWIELO-GOSISDBHSA-N 0 0 423.557 4.700 50 0 HJAARN COc1ccc([C@@H]2N=C(c3ccccc3O)C[C@H](c3cc(OC)ccc3OC)N2)cc1 ZINC000080325083 568601602 /nfs/dbraw/zinc/60/16/02/568601602.db2.gz XLOIZIFVKKWIGH-RCZVLFRGSA-N 0 0 418.493 4.641 50 0 HJAARN C[C@]1(C(=O)NC2CCCCCC2)Cc2ccccc2C(=O)N1Cc1ccc(F)cc1 ZINC000020386673 568603295 /nfs/dbraw/zinc/60/32/95/568603295.db2.gz HVWGWZTWCYGMQE-RUZDIDTESA-N 0 0 408.517 4.622 50 0 HJAARN Cc1c2cccc(Cl)c2oc1C(=O)Nc1ccncc1I ZINC000095413746 568606986 /nfs/dbraw/zinc/60/69/86/568606986.db2.gz HVFNQAZLDIPHQM-UHFFFAOYSA-N 0 0 412.614 4.647 50 0 HJAARN CCCCN(C)C(=O)/C(=C/c1cn(CC)c2ccccc12)NC(=O)c1ccc(C)cc1 ZINC000020438971 568607442 /nfs/dbraw/zinc/60/74/42/568607442.db2.gz NJYYFIYILSXUNQ-QJOMJCCJSA-N 0 0 417.553 4.999 50 0 HJAARN COc1ccc(CNc2nc(-c3ccco3)nn2C(=O)c2ccc(Cl)cc2)cc1 ZINC000020444229 568608133 /nfs/dbraw/zinc/60/81/33/568608133.db2.gz AYKPWSPINAIDQX-UHFFFAOYSA-N 0 0 408.845 4.501 50 0 HJAARN Cc1ccc2c(c1)N(C(=O)CCC(=O)N[C@@H](C)C13CC4CC(CC(C4)C1)C3)C[C@H](C)O2 ZINC000020466079 568610304 /nfs/dbraw/zinc/61/03/04/568610304.db2.gz QPXGRJHMCRZLNX-IYODZKESSA-N 0 0 424.585 4.610 50 0 HJAARN CCN(CCCNC(=O)c1nn(C)c2c1CSc1ccccc1-2)c1cccc(C)c1 ZINC000020485005 568612890 /nfs/dbraw/zinc/61/28/90/568612890.db2.gz TUKVXSHMKMBZLD-UHFFFAOYSA-N 0 0 420.582 4.648 50 0 HJAARN O=C(Nc1cccc2c1CCCC2)C(=O)N[C@@H](CC(F)(F)F)c1ccc(Cl)cc1 ZINC000095455024 568616708 /nfs/dbraw/zinc/61/67/08/568616708.db2.gz HWSZPXCMQKOFBG-SFHVURJKSA-N 0 0 424.850 4.967 50 0 HJAARN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N[C@@](C)(c2ccccc2)C(F)(F)F)cc1 ZINC000095457261 568618379 /nfs/dbraw/zinc/61/83/79/568618379.db2.gz RSDJUUSLMFAHSC-YWZLYKJASA-N 0 0 424.488 4.649 50 0 HJAARN COCC1(C)CCN(C(=O)c2cc(-c3ccc(C)cc3)nc3c2cnn3C(C)C)CC1 ZINC000095459626 568619695 /nfs/dbraw/zinc/61/96/95/568619695.db2.gz ZPWQWYYGXUMJGM-UHFFFAOYSA-N 0 0 420.557 4.876 50 0 HJAARN Cc1cc2c(cc3c(SCC(=O)Nc4ccccc4C(F)(F)F)nnc(C)n23)o1 ZINC000020510784 568621313 /nfs/dbraw/zinc/62/13/13/568621313.db2.gz WMRXFQXVHZCTFT-UHFFFAOYSA-N 0 0 420.416 4.842 50 0 HJAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000095465104 568623099 /nfs/dbraw/zinc/62/30/99/568623099.db2.gz PXQFFAPLSDZAFK-HOTGVXAUSA-N 0 0 411.889 4.535 50 0 HJAARN NC(=O)Nc1cccc(NC(=O)[C@H]2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000095465137 568623105 /nfs/dbraw/zinc/62/31/05/568623105.db2.gz QBIWZEGHVKJQOR-CVEARBPZSA-N 0 0 411.893 4.619 50 0 HJAARN C[C@@H](C(=O)NCCc1c[nH]c2ccc(F)cc12)c1ccc(C[C@H]2CCCC2=O)cc1 ZINC000095472213 568627652 /nfs/dbraw/zinc/62/76/52/568627652.db2.gz KXACXPSPZJFNSK-VQIMIIECSA-N 0 0 406.501 4.681 50 0 HJAARN COc1ccc([C@H]2SCC(=O)Nc3ncn(-c4cccc(Cl)c4)c32)cc1O ZINC000095473472 568628782 /nfs/dbraw/zinc/62/87/82/568628782.db2.gz NZPNGCGMXVQANC-GOSISDBHSA-N 0 0 401.875 4.664 50 0 HJAARN COc1ccccc1[C@H]1SCC(=O)Nc2c1c(=O)[nH]n2C1CCCCCCC1 ZINC000095476622 568630533 /nfs/dbraw/zinc/63/05/33/568630533.db2.gz PHNNAKXQUKHEMU-LJQANCHMSA-N 0 0 401.532 4.895 50 0 HJAARN CC1=Nc2c(c(=O)[nH]n2C2CCOCC2)[C@@H](c2ccc(OC(F)(F)F)cc2)S1 ZINC000095477406 568631057 /nfs/dbraw/zinc/63/10/57/568631057.db2.gz WOMILLNTNHDEJJ-OAHLLOKOSA-N 0 0 413.421 4.725 50 0 HJAARN CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000095482278 568634230 /nfs/dbraw/zinc/63/42/30/568634230.db2.gz ZBUPFOMLUDGOTJ-CQSZACIVSA-N 0 0 419.934 4.884 50 0 HJAARN COc1ccc([C@@H](CNC(=O)c2nccc(Cl)c2F)c2c[nH]c3ccccc32)cc1 ZINC000225428139 568637280 /nfs/dbraw/zinc/63/72/80/568637280.db2.gz DXSWFPOMXPDYGY-QGZVFWFLSA-N 0 0 423.875 4.926 50 0 HJAARN O=C1OC(c2ccccc2Br)=N/C1=C\c1ccc(OC(F)(F)F)cc1 ZINC000020615683 568637952 /nfs/dbraw/zinc/63/79/52/568637952.db2.gz AUGNFAMNPFFKBH-ZROIWOOFSA-N 0 0 412.161 4.692 50 0 HJAARN COc1cc(CCC(=O)Nc2ccc3oc(-c4ccccc4Cl)cc(=O)c3c2)on1 ZINC000020723066 568640616 /nfs/dbraw/zinc/64/06/16/568640616.db2.gz BHRCFDNSCVTYSR-UHFFFAOYSA-N 0 0 424.840 4.681 50 0 HJAARN O=C(c1ccco1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cnc2ccccc2n1 ZINC000225504814 568644220 /nfs/dbraw/zinc/64/42/20/568644220.db2.gz SQCZRJHQFYTOOH-FQEVSTJZSA-N 0 0 402.841 4.868 50 0 HJAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000007963165 568644323 /nfs/dbraw/zinc/64/43/23/568644323.db2.gz IGERWLSUAYXQJV-UHFFFAOYSA-N 0 0 403.265 4.964 50 0 HJAARN CCCC[C@](O)(c1ccc(OC)cc1)[C@@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020868265 568646949 /nfs/dbraw/zinc/64/69/49/568646949.db2.gz DOCKAWZPPGQRNL-ZEQRLZLVSA-N 0 0 417.977 4.842 50 0 HJAARN COc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1 ZINC000020891149 568647822 /nfs/dbraw/zinc/64/78/22/568647822.db2.gz GAMZMOMQLURLPZ-LJQANCHMSA-N 0 0 422.535 4.574 50 0 HJAARN Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1cccc(F)c1F)SCC(=O)N2 ZINC000020891974 568647948 /nfs/dbraw/zinc/64/79/48/568647948.db2.gz FJEGKZXTZQKNMA-SFHVURJKSA-N 0 0 405.857 4.887 50 0 HJAARN COc1ccc(-n2nc(C)c3c2NC(=O)CS[C@@H]3c2ccccc2OC(C)C)cc1 ZINC000020892996 568648321 /nfs/dbraw/zinc/64/83/21/568648321.db2.gz DCFWRRSIWPTTCZ-JOCHJYFZSA-N 0 0 423.538 4.751 50 0 HJAARN COc1cc(OC)cc(C(=O)Nc2c3ccccc3oc2C(=O)N2CCCCCC2)c1 ZINC000020900588 568649574 /nfs/dbraw/zinc/64/95/74/568649574.db2.gz XEPDTDMOSPIKPH-UHFFFAOYSA-N 0 0 422.481 4.719 50 0 HJAARN COc1cccc(CNC(=O)c2ccc(N3CCCc4ccccc43)s2)c1OC ZINC000020985845 568655001 /nfs/dbraw/zinc/65/50/01/568655001.db2.gz QGZQPGYPJWKDEI-UHFFFAOYSA-N 0 0 408.523 4.780 50 0 HJAARN Cc1cc2c(cc1S(=O)(=O)Nc1cccc(Cl)c1C)[nH]c1c2C(=O)CCC1 ZINC000020990226 568655804 /nfs/dbraw/zinc/65/58/04/568655804.db2.gz LHZKWACNTXTQTR-UHFFFAOYSA-N 0 0 402.903 4.758 50 0 HJAARN O=C(CCN1c2ccccc2Sc2ncccc2C1=O)NCc1ccccc1Cl ZINC000020993243 568656209 /nfs/dbraw/zinc/65/62/09/568656209.db2.gz SVKQTKGEBKNSFI-UHFFFAOYSA-N 0 0 423.925 4.553 50 0 HJAARN COc1ccc(NC(=O)NCc2cccn2Cc2c(C)cc(C)cc2C)cc1OC ZINC000020995825 568656715 /nfs/dbraw/zinc/65/67/15/568656715.db2.gz SNVREMFPPYSXLO-UHFFFAOYSA-N 0 0 407.514 4.801 50 0 HJAARN CCOc1ccc(C[NH2+]Cc2c(C)n(-c3ccc(C)cc3)c(C)c2C(=O)[O-])cc1OC ZINC000021025477 568658718 /nfs/dbraw/zinc/65/87/18/568658718.db2.gz FUTQGKLRVKVEDY-UHFFFAOYSA-N 0 0 422.525 4.798 50 0 HJAARN Fc1ccccc1Nc1ncc2c(n1)CCN(Cc1ccc(Br)s1)C2 ZINC000021038863 568659908 /nfs/dbraw/zinc/65/99/08/568659908.db2.gz MGFDEUNUSFYYHK-UHFFFAOYSA-N 0 0 419.323 4.742 50 0 HJAARN Cc1cc2c(s1)CCc1cc(C(=O)N3CCN(c4ccccc4F)CC3)sc1-2 ZINC000021043540 568660052 /nfs/dbraw/zinc/66/00/52/568660052.db2.gz VFTUSUAHYKQGEK-UHFFFAOYSA-N 0 0 412.555 4.985 50 0 HJAARN CC(=O)N1N=C(c2ccc(C)o2)O[C@H]1c1cccc(NC(=O)c2cccc(Cl)c2)c1 ZINC000021092648 568664250 /nfs/dbraw/zinc/66/42/50/568664250.db2.gz CGSLPSYSCXBJJM-QFIPXVFZSA-N 0 0 423.856 4.733 50 0 HJAARN Cc1cc(Br)ccc1NC(=O)C1=Cc2cc(Br)ccc2OC1 ZINC000021095773 568665140 /nfs/dbraw/zinc/66/51/40/568665140.db2.gz PTOGHAHNZKTWES-UHFFFAOYSA-N 0 0 423.104 4.935 50 0 HJAARN COc1cc(NC(=O)c2ccc3c(c2)noc3-c2ccccc2)cc(OC)c1OC ZINC000021096254 568665157 /nfs/dbraw/zinc/66/51/57/568665157.db2.gz OKWYSCQCEQZQBG-UHFFFAOYSA-N 0 0 404.422 4.773 50 0 HJAARN Cn1c2ccccc2c(Cl)c1C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000095953847 568668400 /nfs/dbraw/zinc/66/84/00/568668400.db2.gz AHYOVSBYFUYOTK-UHFFFAOYSA-N 0 0 421.678 4.618 50 0 HJAARN COCc1nc2scc(-c3ccccc3)c2c(NC[C@H](O)c2ccc(F)cc2)n1 ZINC000095957736 568669562 /nfs/dbraw/zinc/66/95/62/568669562.db2.gz GOKREZOYALXMLA-SFHVURJKSA-N 0 0 409.486 4.789 50 0 HJAARN CCOc1cc2c(cc1OCC)[C@H]1CC(=O)N(c3cc(C)cc(C)c3)C(=O)N1CC2 ZINC000021151254 568672242 /nfs/dbraw/zinc/67/22/42/568672242.db2.gz KVNBROMGOUMZNF-HXUWFJFHSA-N 0 0 408.498 4.557 50 0 HJAARN Fc1ccc(-c2nc(CN[C@@H](c3ncon3)c3ccc(Cl)cc3)cs2)cc1 ZINC000095976701 568673278 /nfs/dbraw/zinc/67/32/78/568673278.db2.gz RFWBMBLZJVSODX-QGZVFWFLSA-N 0 0 400.866 4.865 50 0 HJAARN Cc1ccc(Cn2c3ccccc3nc2N2CCC(C(=O)NCCC(C)C)CC2)cc1 ZINC000021159352 568674499 /nfs/dbraw/zinc/67/44/99/568674499.db2.gz ONHUDYMHRKEEAL-UHFFFAOYSA-N 0 0 418.585 4.772 50 0 HJAARN CCC1(C(=O)Nc2nc3c(cccc3OC)s2)CCN(C(=O)c2ccccc2)CC1 ZINC000096004393 568682173 /nfs/dbraw/zinc/68/21/73/568682173.db2.gz JMIJKPUSWWHRIM-UHFFFAOYSA-N 0 0 423.538 4.576 50 0 HJAARN Cc1nc(-c2ccccc2C)sc1CNC(=O)c1cncc(Br)c1 ZINC000096024528 568686031 /nfs/dbraw/zinc/68/60/31/568686031.db2.gz KORWAHAGJWMBNV-UHFFFAOYSA-N 0 0 402.317 4.514 50 0 HJAARN O=C(C=Cc1ccc(OCc2ccccc2)cc1)Nc1ccc2[nH]c(=O)sc2c1 ZINC000096035336 568687299 /nfs/dbraw/zinc/68/72/99/568687299.db2.gz CCAYUXFKJSBHQA-JYRVWZFOSA-N 0 0 402.475 4.821 50 0 HJAARN Cc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(C)c(C)c2)c1 ZINC000021353695 568688038 /nfs/dbraw/zinc/68/80/38/568688038.db2.gz BDNXOYBFVPVGQR-UHFFFAOYSA-N 0 0 414.552 4.751 50 0 HJAARN Cc1ccc(S(=O)(=O)Nc2ccccc2CCc2nc3ccccc3[nH]2)cc1F ZINC000021357291 568688237 /nfs/dbraw/zinc/68/82/37/568688237.db2.gz JYDYHXWFYPFRAF-UHFFFAOYSA-N 0 0 409.486 4.596 50 0 HJAARN Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(CCc2nc3ccccc3n2C)cc1 ZINC000021357430 568688302 /nfs/dbraw/zinc/68/83/02/568688302.db2.gz FVABYLUVQGUKEI-UHFFFAOYSA-N 0 0 423.513 4.607 50 0 HJAARN O=C(NCc1ccc(Cl)cc1)N1CCC(c2nnc(-c3ccsc3)o2)CC1 ZINC000096096600 568689169 /nfs/dbraw/zinc/68/91/69/568689169.db2.gz YSVMJSSABHYNCU-UHFFFAOYSA-N 0 0 402.907 4.541 50 0 HJAARN COc1ccc2cc(C(=O)Nc3ccc4c(c3)N(C(=O)C3CCCC3)CC4)[nH]c2c1 ZINC000096098416 568689735 /nfs/dbraw/zinc/68/97/35/568689735.db2.gz KWTIZSUTPNGHOA-UHFFFAOYSA-N 0 0 403.482 4.508 50 0 HJAARN Cc1ccc(C(=O)Nc2c3ccccc3[nH]c2C(=O)N2CCc3ccccc3C2)cc1 ZINC000021361614 568690243 /nfs/dbraw/zinc/69/02/43/568690243.db2.gz IEUBZSOXBDFWCS-UHFFFAOYSA-N 0 0 409.489 4.927 50 0 HJAARN Fc1ccc([C@H](c2nnc(-c3ccccc3)o2)N2CCN(c3ccccc3)CC2)cc1 ZINC000021366917 568690837 /nfs/dbraw/zinc/69/08/37/568690837.db2.gz OQIVHSVICBDHJS-HSZRJFAPSA-N 0 0 414.484 4.787 50 0 HJAARN CC(C)CCN1c2ccc(NC(=O)Cc3ccsc3)cc2OCC(C)(C)C1=O ZINC000096103559 568692020 /nfs/dbraw/zinc/69/20/20/568692020.db2.gz WRANWAMEQMHUOC-UHFFFAOYSA-N 0 0 400.544 4.727 50 0 HJAARN COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)Nc1ncc(C)s1 ZINC000012389713 568692471 /nfs/dbraw/zinc/69/24/71/568692471.db2.gz FKIOUNYBWALDSK-UHFFFAOYSA-N 0 0 420.490 4.805 50 0 HJAARN COc1ccc2[nH]cc(CCNC(=O)[C@H](C)c3ccc(C[C@@H]4CCCC4=O)cc3)c2c1 ZINC000096114677 568694299 /nfs/dbraw/zinc/69/42/99/568694299.db2.gz XATWXFCYPQTKPK-XLIONFOSSA-N 0 0 418.537 4.551 50 0 biogenic HJAARN O=C(NCCn1nc(-c2ccncc2)cc1C1CC1)C1(c2cccs2)CCCC1 ZINC000096121665 568699750 /nfs/dbraw/zinc/69/97/50/568699750.db2.gz QGKXTICULKZTCY-UHFFFAOYSA-N 0 0 406.555 4.512 50 0 HJAARN CCOC(=O)/C=C\c1ccc(NC(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000096130065 568701856 /nfs/dbraw/zinc/70/18/56/568701856.db2.gz ZUQKCWISAMTZLP-GUSDMMFLSA-N 0 0 424.497 4.649 50 0 HJAARN Cc1ccc(NC(=O)c2ccc(CN3CCN(c4ccccc4F)CC3)cc2)cc1 ZINC000034668381 568702816 /nfs/dbraw/zinc/70/28/16/568702816.db2.gz ZQGLNNNBDMPQAY-UHFFFAOYSA-N 0 0 403.501 4.709 50 0 HJAARN CC(C)NC(=O)c1ccc(CSc2nc3cccnc3n2Cc2ccccc2)cc1 ZINC000021528294 568709966 /nfs/dbraw/zinc/70/99/66/568709966.db2.gz PIGXIHICMGQQMV-UHFFFAOYSA-N 0 0 416.550 4.910 50 0 HJAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C ZINC000012402839 568710373 /nfs/dbraw/zinc/71/03/73/568710373.db2.gz ZHUOOEGSSFNTNP-ZCHDSUBTSA-N 0 0 406.607 4.566 50 0 HJAARN CCOC(=O)c1c(NC(=O)CC)sc2c1CC[C@@H](Sc1ccccc1)C2=O ZINC000000846745 568710634 /nfs/dbraw/zinc/71/06/34/568710634.db2.gz MYJPLTUPQWUJOI-CQSZACIVSA-N 0 0 403.525 4.563 50 0 HJAARN COc1ccc(C(=O)Nc2ccc3nn(-c4cccc(C(F)(F)F)c4)nc3c2)cc1 ZINC000000849449 568711181 /nfs/dbraw/zinc/71/11/81/568711181.db2.gz BPOXZYOVAWSALA-UHFFFAOYSA-N 0 0 412.371 4.700 50 0 HJAARN O=C(Nc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccc(Br)cc1 ZINC000000850959 568712139 /nfs/dbraw/zinc/71/21/39/568712139.db2.gz WLEPDEHMNCRBLO-HMMYKYKNSA-N 0 0 421.294 4.859 50 0 HJAARN COc1ccc(-c2cc(-c3nn4c(nnc4-c4ccc(Cl)cc4)s3)no2)cc1 ZINC000012409622 568712244 /nfs/dbraw/zinc/71/22/44/568712244.db2.gz TWPDRARKTOIILK-UHFFFAOYSA-N 0 0 409.858 4.837 50 0 HJAARN O=C(CSc1n[nH]c(-c2cccc(Br)c2)n1)Nc1cccc(Cl)c1 ZINC000000852478 568712655 /nfs/dbraw/zinc/71/26/55/568712655.db2.gz XKHVIPRODLEFNS-UHFFFAOYSA-N 0 0 423.723 4.618 50 0 HJAARN CCOc1ccc(NC(=O)c2cc(I)ccc2Cl)cc1 ZINC000000855722 568712913 /nfs/dbraw/zinc/71/29/13/568712913.db2.gz PIFOFJPZAJNHSF-UHFFFAOYSA-N 0 0 401.631 4.596 50 0 HJAARN O=C(C[C@H](c1c[nH]c2ccc(Cl)cc21)c1ccc(Cl)cc1)N1CCOCC1 ZINC000096276252 568715030 /nfs/dbraw/zinc/71/50/30/568715030.db2.gz PIOCXHKKMXBOBR-KRWDZBQOSA-N 0 0 403.309 4.856 50 0 HJAARN Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3cccc(Cl)c3)[C@@H]2C1=O ZINC000229988090 568716347 /nfs/dbraw/zinc/71/63/47/568716347.db2.gz FSNRYIANYKCYPE-BHDDXSALSA-N 0 0 418.880 4.700 50 0 HJAARN CCC(=O)N1CCc2ccc(O[C@@H](C)C(=O)NCCC(C)C)cc2[C@H]1c1ccccc1 ZINC000096281170 568718507 /nfs/dbraw/zinc/71/85/07/568718507.db2.gz CTHFXZQUFDTYRH-UQBPGWFLSA-N 0 0 422.569 4.500 50 0 HJAARN COc1ccc(C(=O)COc2ccc(-c3noc(-c4cccc(OC)c4)n3)cc2)cc1 ZINC000096280997 568718554 /nfs/dbraw/zinc/71/85/54/568718554.db2.gz KJNSMYPEFKUYDS-UHFFFAOYSA-N 0 0 416.433 4.683 50 0 HJAARN COc1cc(-c2nc(C(=O)NC(C)C)cs2)ccc1OCc1cc(F)ccc1F ZINC000096281516 568718701 /nfs/dbraw/zinc/71/87/01/568718701.db2.gz GFQWVSZCDNBOMZ-UHFFFAOYSA-N 0 0 418.465 4.814 50 0 HJAARN CCn1c(SCc2cccc(C(=O)NCC(C)C)c2)nnc1-c1ccc(C)cc1 ZINC000096289898 568720226 /nfs/dbraw/zinc/72/02/26/568720226.db2.gz QOLVPIIVFLNVKQ-UHFFFAOYSA-N 0 0 408.571 4.952 50 0 HJAARN COc1ccc(-c2noc(CCN(C(=O)C3CCC3)[C@H](C)c3ccccc3)n2)cc1 ZINC000096293189 568721665 /nfs/dbraw/zinc/72/16/65/568721665.db2.gz IBXZRIQGYQHBCZ-QGZVFWFLSA-N 0 0 405.498 4.678 50 0 HJAARN CCOC(=O)c1ccc(NC(=O)NCc2nc(-c3cccc(Cl)c3)oc2C)cc1 ZINC000021635390 568725377 /nfs/dbraw/zinc/72/53/77/568725377.db2.gz YTTUSEJPEJSHCI-UHFFFAOYSA-N 0 0 413.861 4.802 50 0 HJAARN CC[C@@H](C)c1nc(C)c(Cc2cccc(C)c2)c(N2CCN(C(=O)C(C)C)CC2)n1 ZINC000096317464 568726930 /nfs/dbraw/zinc/72/69/30/568726930.db2.gz WKBZGMUXGLHBGQ-LJQANCHMSA-N 0 0 408.590 4.502 50 0 HJAARN C[C@@H]1C[C@H](NC(=O)c2cccc(C(=O)N[C@H]3C[C@@H](C)CC(C)(C)C3)c2)CC(C)(C)C1 ZINC000239305895 568728727 /nfs/dbraw/zinc/72/87/27/568728727.db2.gz GEDYDMDWVRNOIZ-UBBRYJJRSA-N 0 0 412.618 5.576 50 0 HJAARN C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[C@H]21 ZINC000239403096 568729248 /nfs/dbraw/zinc/72/92/48/568729248.db2.gz RMJVWSPVBRUOST-VMDGZTHMSA-N 0 0 412.283 4.943 50 0 HJAARN Cc1nn(-c2ccc(C(=O)NCCC3=CCCCC3)cc2)c2c1C(=O)CC(C)(C)C2 ZINC000021652907 568730627 /nfs/dbraw/zinc/73/06/27/568730627.db2.gz QASQDRMZJLYEDQ-UHFFFAOYSA-N 0 0 405.542 4.956 50 0 HJAARN Cc1ccccc1-c1noc(-c2ccc(CS(=O)(=O)c3ccc(Cl)cc3)o2)n1 ZINC000096322694 568730665 /nfs/dbraw/zinc/73/06/65/568730665.db2.gz MKWITENVJDNCCU-UHFFFAOYSA-N 0 0 414.870 4.932 50 0 HJAARN Cc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4cccc(F)c4)no3)o2)c(C)c1 ZINC000096322727 568730667 /nfs/dbraw/zinc/73/06/67/568730667.db2.gz OJMYACCHZXTSJA-UHFFFAOYSA-N 0 0 412.442 4.726 50 0 HJAARN Cc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4ccccc4C)no3)o2)cc1C ZINC000096322706 568730759 /nfs/dbraw/zinc/73/07/59/568730759.db2.gz KJUYMVRXGHYVGU-UHFFFAOYSA-N 0 0 408.479 4.896 50 0 HJAARN Cc1cccc(CS(=O)(=O)Cc2ccc(-c3nc(-c4cccc(C)c4)no3)o2)c1 ZINC000096322758 568730924 /nfs/dbraw/zinc/73/09/24/568730924.db2.gz BBMDKRIAKJPPHA-UHFFFAOYSA-N 0 0 408.479 4.728 50 0 HJAARN CCOc1ccccc1NC(=O)C1CCN(c2ccnc(-c3ccc(C)cc3)n2)CC1 ZINC000096323135 568731376 /nfs/dbraw/zinc/73/13/76/568731376.db2.gz GUEYBISLBSYHKE-UHFFFAOYSA-N 0 0 416.525 4.706 50 0 HJAARN COc1ccc(OC)c(C2=NN(C(=S)Nc3ccccc3)[C@@H](c3ccccc3)C2)c1 ZINC000241515714 568731538 /nfs/dbraw/zinc/73/15/38/568731538.db2.gz OHJYXEVEFGKARO-JOCHJYFZSA-N 0 0 417.534 5.252 50 0 HJAARN COc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)cs2)cc1OC ZINC000021656479 568732186 /nfs/dbraw/zinc/73/21/86/568732186.db2.gz BMDWFPQOAYQDCX-UHFFFAOYSA-N 0 0 419.506 4.935 50 0 HJAARN Cc1ccc(-c2nc3sc4c(n3n2)CCN(C(=O)Nc2ccc(C)cc2C)C4)cc1 ZINC000096323862 568732926 /nfs/dbraw/zinc/73/29/26/568732926.db2.gz ZHCYQVHPCZCERC-UHFFFAOYSA-N 0 0 417.538 4.973 50 0 HJAARN Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1-c1ccccc1 ZINC000000877654 568733610 /nfs/dbraw/zinc/73/36/10/568733610.db2.gz RNZRLLYEXJBTLM-UHFFFAOYSA-N 0 0 414.534 4.804 50 0 HJAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(F)cc3)sc2c1 ZINC000021660926 568735775 /nfs/dbraw/zinc/73/57/75/568735775.db2.gz VMRRVISYNDYRHH-MRXNPFEDSA-N 0 0 422.485 4.802 50 0 HJAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@@H](c1ccc(F)cc1F)CC(=O)N2 ZINC000021661005 568735842 /nfs/dbraw/zinc/73/58/42/568735842.db2.gz HONLQJJYHXGXMF-CQSZACIVSA-N 0 0 410.449 4.851 50 0 HJAARN Cc1nn(-c2nc3ccccc3[nH]2)c2c1[C@H](c1ccc(C(C)(C)C)s1)CC(=O)N2 ZINC000021661184 568735980 /nfs/dbraw/zinc/73/59/80/568735980.db2.gz YQOVDNAZGUVABM-ZDUSSCGKSA-N 0 0 405.527 4.890 50 0 HJAARN CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccccc2OC)C12CCCC2 ZINC000096344615 568737494 /nfs/dbraw/zinc/73/74/94/568737494.db2.gz DMKWCHNIBJFTNH-HSZRJFAPSA-N 0 0 420.553 4.664 50 0 HJAARN CN(CCc1noc(-c2cc3cc(Cl)ccc3[nH]2)n1)C(=O)C1(c2ccccc2)CC1 ZINC000096349913 568738567 /nfs/dbraw/zinc/73/85/67/568738567.db2.gz DHMRTCGCZDNKOW-UHFFFAOYSA-N 0 0 420.900 4.604 50 0 HJAARN O=C(c1cc2ccccc2o1)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1 ZINC000021687443 568738881 /nfs/dbraw/zinc/73/88/81/568738881.db2.gz SJYKUDXAHLANCD-UHFFFAOYSA-N 0 0 421.497 4.653 50 0 HJAARN Cc1ccccc1Cn1cc(-c2ccncc2)cc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000096386173 568742626 /nfs/dbraw/zinc/74/26/26/568742626.db2.gz QVFRSRNAFVEADK-UHFFFAOYSA-N 0 0 411.461 4.888 50 0 HJAARN COc1ccc(NC(=O)N2CCC(c3cc(-c4cccc(OC)c4)n[nH]3)CC2)cc1 ZINC000096386804 568743565 /nfs/dbraw/zinc/74/35/65/568743565.db2.gz ZWWYZKBYNLPALC-UHFFFAOYSA-N 0 0 406.486 4.505 50 0 HJAARN COc1cccc(-c2cc(C3CCN(C(=O)Nc4ccccc4OC)CC3)[nH]n2)c1 ZINC000096386807 568743590 /nfs/dbraw/zinc/74/35/90/568743590.db2.gz WIDHOAMHGZPGNP-UHFFFAOYSA-N 0 0 406.486 4.505 50 0 HJAARN CCOc1ccc(C(=O)Nc2ccc(-c3nc(Cn4cccn4)c(C)o3)cc2)cc1 ZINC000096397214 568745962 /nfs/dbraw/zinc/74/59/62/568745962.db2.gz STYICVIYDIJKMT-UHFFFAOYSA-N 0 0 402.454 4.546 50 0 HJAARN O=C(Nc1ccc(C(=O)NCCCc2ccccc2)cc1)c1nsc2ccccc21 ZINC000021714442 568748725 /nfs/dbraw/zinc/74/87/25/568748725.db2.gz MPTYMWPVTSIFTB-UHFFFAOYSA-N 0 0 415.518 4.911 50 0 HJAARN Cc1cc(C)cc(NC(=O)Nc2ccc3nc(S(=O)(=O)CC(C)C)sc3c2)c1 ZINC000096399718 568749075 /nfs/dbraw/zinc/74/90/75/568749075.db2.gz BKPLWPRQBKBRNL-UHFFFAOYSA-N 0 0 417.556 4.987 50 0 HJAARN Cn1c(SCC2CCCCC2)nnc1[C@H](Cc1ccccc1)NC(=O)c1ccoc1 ZINC000015071731 568749162 /nfs/dbraw/zinc/74/91/62/568749162.db2.gz WRXXYEAFHIVOPB-FQEVSTJZSA-N 0 0 424.570 4.794 50 0 HJAARN COc1ccc(C(=O)C[C@H](c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000903137 568749518 /nfs/dbraw/zinc/74/95/18/568749518.db2.gz GCTCLTKCXPVUFJ-OAQYLSRUSA-N 0 0 400.521 4.853 50 0 HJAARN CCc1cc2c(ncnc2N2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)s1 ZINC000021716307 568749786 /nfs/dbraw/zinc/74/97/86/568749786.db2.gz WHPUFEQFWKTBCW-UHFFFAOYSA-N 0 0 418.925 4.901 50 0 HJAARN COc1ccccc1CNC(=O)[C@@H]1c2ccccc2C(=O)N1c1c(C)cc(C)cc1C ZINC000021716642 568749971 /nfs/dbraw/zinc/74/99/71/568749971.db2.gz BCJIOJNGGZPXKH-DEOSSOPVSA-N 0 0 414.505 4.638 50 0 HJAARN COc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)c(C)c1 ZINC000000919407 568750430 /nfs/dbraw/zinc/75/04/30/568750430.db2.gz CFHKMMUPTWZBEA-PBHICJAKSA-N 0 0 420.391 4.706 50 0 HJAARN Cc1sc2ncn3c(SCC(=O)Nc4cccc(Cl)c4C)nnc3c2c1C ZINC000000925337 568750922 /nfs/dbraw/zinc/75/09/22/568750922.db2.gz ZRQGVTGVPOSVHY-UHFFFAOYSA-N 0 0 417.947 4.648 50 0 HJAARN Cc1ccccc1-c1noc(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)[nH]2)n1 ZINC000021731004 568752011 /nfs/dbraw/zinc/75/20/11/568752011.db2.gz JZIVTCFQSVKNBH-UHFFFAOYSA-N 0 0 415.478 4.569 50 0 HJAARN CCOC(=O)c1cc2cc(-c3c(C)oc4cc(OC(C)=O)ccc4c3=O)ccc2o1 ZINC000000939049 568752483 /nfs/dbraw/zinc/75/24/83/568752483.db2.gz MNXDFVVLOQOUOP-UHFFFAOYSA-N 0 0 406.390 4.617 50 0 biogenic HJAARN COc1ccc(CCNC(=O)c2ccc3cc(-c4ccccc4)[nH]c3c2)cc1OC ZINC000021781775 568752665 /nfs/dbraw/zinc/75/26/65/568752665.db2.gz KGEIBZMEIMYFBF-UHFFFAOYSA-N 0 0 400.478 4.825 50 0 biogenic HJAARN COc1ccc(Oc2coc3cc(OC(=O)c4ccc(OC)cc4)ccc3c2=O)cc1 ZINC000000940496 568753067 /nfs/dbraw/zinc/75/30/67/568753067.db2.gz XEQLWBPZOVTIMV-UHFFFAOYSA-N 0 0 418.401 4.822 50 0 biogenic HJAARN CC(C)C(=O)Oc1ccc2c(c1)occ(Oc1ccccc1Br)c2=O ZINC000000946461 568754542 /nfs/dbraw/zinc/75/45/42/568754542.db2.gz LBOSUKSMOKHUMU-UHFFFAOYSA-N 0 0 403.228 4.909 50 0 HJAARN COc1ccc(OC(=O)Cc2csc(-c3cccc(Br)c3)n2)cc1 ZINC000021836346 568754587 /nfs/dbraw/zinc/75/45/87/568754587.db2.gz WYXNZGZRQIDWHP-UHFFFAOYSA-N 0 0 404.285 4.729 50 0 HJAARN COC(=O)COc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc(Cl)cc1)c2=O ZINC000000947035 568754644 /nfs/dbraw/zinc/75/46/44/568754644.db2.gz BBUUVRIOTPLICJ-UHFFFAOYSA-N 0 0 412.747 4.684 50 0 HJAARN Cc1cccc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NCCC(C)C)c1C ZINC000021858421 568755150 /nfs/dbraw/zinc/75/51/50/568755150.db2.gz UZNPUKXKUYHIQH-SANMLTNESA-N 0 0 417.553 4.840 50 0 HJAARN CCOC(=O)c1cnc2ccc(Br)cc2c1Nc1ccc(N(C)C)cc1 ZINC000000951952 568757282 /nfs/dbraw/zinc/75/72/82/568757282.db2.gz WKIPZLYDHNZUKE-UHFFFAOYSA-N 0 0 414.303 4.984 50 0 HJAARN CCOc1ccc(-c2nc3n(n2)C(=O)C[C@@H](c2ccc(C)cc2)S3)cc1OCC ZINC000000952718 568757377 /nfs/dbraw/zinc/75/73/77/568757377.db2.gz DNFPKRQLIKIQKR-IBGZPJMESA-N 0 0 409.511 4.928 50 0 HJAARN CC(=O)c1ccc(O[C@@H](NC(=O)c2ccccc2C)C(Cl)(Cl)Cl)cc1 ZINC000000971144 568759147 /nfs/dbraw/zinc/75/91/47/568759147.db2.gz OVPYIYYZNIKEMZ-QGZVFWFLSA-N 0 0 400.689 4.703 50 0 HJAARN CCOC(=O)c1[nH]c(C)c(CN(C(=O)COc2ccccc2)c2ccc(F)cc2)c1C ZINC000000973956 568759317 /nfs/dbraw/zinc/75/93/17/568759317.db2.gz YNNUBMMWWGPZQP-UHFFFAOYSA-N 0 0 424.472 4.560 50 0 HJAARN COc1ccc([C@H]2c3cccn3-c3ccccc3CN2C(=O)NC(C)C)cc1OC ZINC000021892695 568759591 /nfs/dbraw/zinc/75/95/91/568759591.db2.gz LRGFTEABINCXJH-QHCPKHFHSA-N 0 0 405.498 4.518 50 0 HJAARN CCC[C@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3ccccc3)N2C1=O ZINC000021936255 568762300 /nfs/dbraw/zinc/76/23/00/568762300.db2.gz NFBWYWYEQGITHX-MOPGFXCFSA-N 0 0 420.538 4.596 50 0 HJAARN OC(c1c(Br)cnn1-c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000096592348 568763251 /nfs/dbraw/zinc/76/32/51/568763251.db2.gz MOMWMWJOOFFBNQ-UHFFFAOYSA-N 0 0 405.295 4.919 50 0 HJAARN COc1ccccc1OCCN1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000096594103 568763700 /nfs/dbraw/zinc/76/37/00/568763700.db2.gz FXZILDZMYGSTMF-SANMLTNESA-N 0 0 420.528 4.620 50 0 HJAARN CCOC(=O)c1sc(NC(=O)c2ccc(C(F)(F)F)cc2)nc1C(F)(F)F ZINC000096759700 568764534 /nfs/dbraw/zinc/76/45/34/568764534.db2.gz TXBWIZSUDDCKMR-UHFFFAOYSA-N 0 0 412.311 4.610 50 0 HJAARN O=C(CSc1nc2ccccc2o1)Nc1cccn2cc(-c3ccccc3)nc12 ZINC000001080200 568767666 /nfs/dbraw/zinc/76/76/66/568767666.db2.gz KSEBWMILVNTWLT-UHFFFAOYSA-N 0 0 400.463 4.873 50 0 HJAARN COc1cccc(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)c1OC ZINC000022507993 568768931 /nfs/dbraw/zinc/76/89/31/568768931.db2.gz DGAJJWNVEDOMMH-UHFFFAOYSA-N 0 0 411.502 4.673 50 0 HJAARN O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)c1cc2ccccc2[nH]c1=O ZINC000025471640 568770385 /nfs/dbraw/zinc/77/03/85/568770385.db2.gz FCAZJVBNNXTGRR-XSTIVXOKSA-N 0 0 406.485 4.555 50 0 HJAARN [O-]c1c([C@@H](c2cccc(F)c2)[NH+]2CCC(Cc3ccccc3)CC2)sc2ncnn12 ZINC000022609548 568771817 /nfs/dbraw/zinc/77/18/17/568771817.db2.gz KSDZZAVUIVEKKF-HXUWFJFHSA-N 0 0 422.529 4.680 50 0 HJAARN CCC(=O)Oc1ccc2c(c1)oc(C)c(Oc1ccccc1Br)c2=O ZINC000001124743 568772885 /nfs/dbraw/zinc/77/28/85/568772885.db2.gz ZIPLZZLDCLHNBZ-UHFFFAOYSA-N 0 0 403.228 4.972 50 0 HJAARN COc1cccc(-c2ccc(C(=O)N[C@@H](c3cccnc3)C3CCOCC3)cc2)c1 ZINC000225619113 568776658 /nfs/dbraw/zinc/77/66/58/568776658.db2.gz NTNREXIJFMVMAO-XMMPIXPASA-N 0 0 402.494 4.655 50 0 HJAARN COc1ccc2nc(NC(=O)c3ccc(COc4cccc(OC)c4)o3)sc2c1 ZINC000028225041 568782640 /nfs/dbraw/zinc/78/26/40/568782640.db2.gz XZJAZLWWEFYQFA-UHFFFAOYSA-N 0 0 410.451 4.738 50 0 HJAARN Cc1nn(Cc2ccc(C(=O)Nc3nc4c(s3)C[C@H](C)CC4)o2)c(C)c1Cl ZINC000028226930 568782650 /nfs/dbraw/zinc/78/26/50/568782650.db2.gz HORMJFOHWZRVBU-SNVBAGLBSA-N 0 0 404.923 4.628 50 0 HJAARN Cc1nn(Cc2ccc(C(=O)Nc3ccc(Cl)cc3)o2)c(C)c1Br ZINC000028226699 568782715 /nfs/dbraw/zinc/78/27/15/568782715.db2.gz SQFALZHQFJKESP-UHFFFAOYSA-N 0 0 408.683 4.809 50 0 HJAARN CCSc1nc2n(n1)[C@@H](c1ccco1)C(C(=O)Nc1cccc(C)c1C)=C(C)N2 ZINC000028250523 568783513 /nfs/dbraw/zinc/78/35/13/568783513.db2.gz UENBGIJDNIIGKH-SFHVURJKSA-N 0 0 409.515 4.528 50 0 HJAARN Cc1cc(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C)c(C)n1Cc1ccco1 ZINC000002619927 568787038 /nfs/dbraw/zinc/78/70/38/568787038.db2.gz HMBRIMTWSDHCOQ-UHFFFAOYSA-N 0 0 424.501 4.656 50 0 HJAARN COCCCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 ZINC000002621266 568787799 /nfs/dbraw/zinc/78/77/99/568787799.db2.gz SURGZOKHPRYTEH-UHFFFAOYSA-N 0 0 419.909 4.749 50 0 HJAARN CCc1nnc(NC(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)s1 ZINC000002622691 568788110 /nfs/dbraw/zinc/78/81/10/568788110.db2.gz KDUNBMMYHQDSDQ-UHFFFAOYSA-N 0 0 417.947 4.774 50 0 HJAARN O=C1OCC[C@@H]1Sc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000002626151 568789285 /nfs/dbraw/zinc/78/92/85/568789285.db2.gz QZAZQYASVLZKJQ-HNNXBMFYSA-N 0 0 406.294 4.649 50 0 HJAARN CC(C)(C)c1ccccc1NC(=O)COc1ncnc2ccc(Br)cc21 ZINC000002635717 568791995 /nfs/dbraw/zinc/79/19/95/568791995.db2.gz CZNCPRJIIAMLBS-UHFFFAOYSA-N 0 0 414.303 4.707 50 0 HJAARN Cc1ccc(-n2c(S[C@@H]3CCOC3=O)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000002638805 568792879 /nfs/dbraw/zinc/79/28/79/568792879.db2.gz JFYGEQRUDPOXIX-LJQANCHMSA-N 0 0 407.539 4.948 50 0 HJAARN CCOC(=O)c1ccc(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cc1 ZINC000002638419 568792894 /nfs/dbraw/zinc/79/28/94/568792894.db2.gz ZTUYNMPCFZFULI-UHFFFAOYSA-N 0 0 423.469 4.964 50 0 HJAARN COc1cc(C(=O)Nc2nc3ccccc3s2)ccc1OCc1c(C)noc1C ZINC000002645802 568794988 /nfs/dbraw/zinc/79/49/88/568794988.db2.gz IEXKZJQJUGQCFA-UHFFFAOYSA-N 0 0 409.467 4.741 50 0 HJAARN COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000002646366 568795096 /nfs/dbraw/zinc/79/50/96/568795096.db2.gz MOUHSNMEOCXWKB-OAHLLOKOSA-N 0 0 416.433 4.687 50 0 HJAARN COCCn1c(C)cc(C(=O)COc2ncnc3scc(-c4ccccc4)c32)c1C ZINC000002648018 568795476 /nfs/dbraw/zinc/79/54/76/568795476.db2.gz RHAIAFGNOAXZJT-UHFFFAOYSA-N 0 0 421.522 4.685 50 0 HJAARN O=C(Nc1ccccc1)/C(=C\c1cccnc1Cl)C(=O)Nc1ccc2c(c1)CCC2 ZINC000215740001 568796087 /nfs/dbraw/zinc/79/60/87/568796087.db2.gz LGGKZDSOPUTYNT-RCCKNPSSSA-N 0 0 417.896 4.885 50 0 HJAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1-c1ccccc1)N1CCCCC1 ZINC000002649962 568796096 /nfs/dbraw/zinc/79/60/96/568796096.db2.gz VHLUMZUWDMLYKV-UHFFFAOYSA-N 0 0 417.538 4.520 50 0 HJAARN COc1cc(-c2nnc(SCCOc3cccc(Cl)c3)o2)cc(OC)c1OC ZINC000002650970 568796295 /nfs/dbraw/zinc/79/62/95/568796295.db2.gz QJCVSYUVPSODPP-UHFFFAOYSA-N 0 0 422.890 4.587 50 0 HJAARN Cc1ccc(-n2c(SCC(=O)N3CCCC[C@@H]3C)nnc2-c2ccccc2)cc1 ZINC000002653708 568797322 /nfs/dbraw/zinc/79/73/22/568797322.db2.gz LIFPADDCYPGDGN-SFHVURJKSA-N 0 0 406.555 4.736 50 0 HJAARN Cc1cccn2c(=O)c3cc(C(=O)Nc4ccc(Cl)c(Cl)c4)sc3nc12 ZINC000002722968 568803418 /nfs/dbraw/zinc/80/34/18/568803418.db2.gz NIIKOLJUCPDTHI-UHFFFAOYSA-N 0 0 404.278 4.777 50 0 HJAARN CCc1c(C)sc2ncn3nc([C@H](C)Cn4nc(C(F)(F)F)cc4C)nc3c12 ZINC000002790065 568809194 /nfs/dbraw/zinc/80/91/94/568809194.db2.gz HTGTWDOKXXNVDK-SECBINFHSA-N 0 0 408.453 4.537 50 0 HJAARN CCOc1cc(-c2nc3c4c(CC)c(C)sc4ncn3n2)ccc1OC(F)F ZINC000002791154 568809949 /nfs/dbraw/zinc/80/99/49/568809949.db2.gz LLPMJVKQFFUEDZ-UHFFFAOYSA-N 0 0 404.442 4.877 50 0 HJAARN Cc1sc2ncn3nc(-c4cc(C(F)(F)F)n(C)n4)nc3c2c1-c1ccccc1 ZINC000002791795 568810020 /nfs/dbraw/zinc/81/00/20/568810020.db2.gz PNTFUUATRWQBNL-UHFFFAOYSA-N 0 0 414.416 4.734 50 0 HJAARN Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](C1CC1)N2C(=O)c1cc(-c2cccs2)on1 ZINC000002803005 568811244 /nfs/dbraw/zinc/81/12/44/568811244.db2.gz AKFXAMXYHRGOSQ-CZUORRHYSA-N 0 0 422.432 4.841 50 0 HJAARN Fc1ccc(Br)cc1[C@H]1C[C@@H](c2ccc(Cl)cc2)Nc2ncnn21 ZINC000002914760 568816251 /nfs/dbraw/zinc/81/62/51/568816251.db2.gz PDPQORMSNISQHG-JKSUJKDBSA-N 0 0 407.674 4.979 50 0 HJAARN CC(=O)O/C(C)=C1\CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000257347482 568817600 /nfs/dbraw/zinc/81/76/00/568817600.db2.gz IYHMGYUYUFEWDP-FXMUGRCBSA-N 0 0 416.558 4.977 50 0 HJAARN CC(=O)OC[C@H](OC(C)=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C ZINC000257350095 568817734 /nfs/dbraw/zinc/81/77/34/568817734.db2.gz URKJWXDOTCRSDL-WSIKMPTGSA-N 0 0 420.590 4.645 50 0 HJAARN CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)NCc2ccc(C)cc2)c1C ZINC000002928918 568817950 /nfs/dbraw/zinc/81/79/50/568817950.db2.gz WWZXJCWCTHYNIA-UHFFFAOYSA-N 0 0 404.510 4.655 50 0 HJAARN CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)NCCc2cccc(C)c2)c1C ZINC000002929063 568817961 /nfs/dbraw/zinc/81/79/61/568817961.db2.gz NVRNTRICVMSWPA-UHFFFAOYSA-N 0 0 418.537 4.698 50 0 HJAARN COc1ccc(NC(=O)CCn2c(C)c(C(C)=O)cc2-c2ccc(F)cc2)c(OC)c1 ZINC000002929850 568818348 /nfs/dbraw/zinc/81/83/48/568818348.db2.gz JKGKBDYBHBVOLD-UHFFFAOYSA-N 0 0 424.472 4.851 50 0 HJAARN CCN(C)C(=O)c1csc(-c2ccc(OCc3cc(F)cc(F)c3)cc2F)n1 ZINC000034713537 568819093 /nfs/dbraw/zinc/81/90/93/568819093.db2.gz GUGPPKBLTGGMPM-UHFFFAOYSA-N 0 0 406.429 4.898 50 0 HJAARN Cc1ccc(OCc2nc3ccccc3n2C[C@@H](O)COc2ccc(C)c(C)c2)cc1 ZINC000082086812 568821007 /nfs/dbraw/zinc/82/10/07/568821007.db2.gz CWSQBFQPUMSWMO-OAQYLSRUSA-N 0 0 416.521 4.980 50 0 HJAARN COc1cc(C=C2SC(=S)NC2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000001179043 568821498 /nfs/dbraw/zinc/82/14/98/568821498.db2.gz SJFCROIRXXSKRU-OQLLNIDSSA-N 0 0 405.884 4.897 50 0 HJAARN Cc1ccc(C(=O)[C@@H](NC(=O)c2ccco2)Nc2cc(Cl)ccc2Cl)cc1 ZINC000001182415 568822262 /nfs/dbraw/zinc/82/22/62/568822262.db2.gz NTBXOBZPQDLMNF-LJQANCHMSA-N 0 0 403.265 4.946 50 0 HJAARN CCOC(=O)c1c(C)n(CC)c2ccc(OC(=O)COc3ccc(Cl)cc3)cc21 ZINC000001185750 568822536 /nfs/dbraw/zinc/82/25/36/568822536.db2.gz HTBPOLZBSAQSMM-UHFFFAOYSA-N 0 0 415.873 4.784 50 0 HJAARN COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(Cc2ccccn2)CO4)cc1 ZINC000057122033 568824354 /nfs/dbraw/zinc/82/43/54/568824354.db2.gz ASTKJHZXUPATJC-UHFFFAOYSA-N 0 0 414.461 4.524 50 0 biogenic HJAARN O=C(CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3)C12CC3CC(CC(C3)C1)C2 ZINC000005827444 568824539 /nfs/dbraw/zinc/82/45/39/568824539.db2.gz VQQQPYSTLSAWMD-UHFFFAOYSA-N 0 0 414.596 4.741 50 0 HJAARN O=C(NCc1ccccc1Cl)C1CCC(C(=O)NCc2ccccc2Cl)CC1 ZINC000005847168 568825616 /nfs/dbraw/zinc/82/56/16/568825616.db2.gz KMYVUGNBAMKCBQ-UHFFFAOYSA-N 0 0 419.352 4.732 50 0 HJAARN Cn1c(SCCCC(=O)c2ccc(Br)cc2)nnc1-c1ccco1 ZINC000005864320 568826660 /nfs/dbraw/zinc/82/66/60/568826660.db2.gz JRIDUTDOXMBOQM-UHFFFAOYSA-N 0 0 406.305 4.593 50 0 HJAARN COc1ccc(C(=O)CSc2nnc(-c3ccoc3C)n2-c2ccccc2)cc1 ZINC000005883606 568828086 /nfs/dbraw/zinc/82/80/86/568828086.db2.gz KXQKJCXYRRIQRG-UHFFFAOYSA-N 0 0 405.479 4.819 50 0 HJAARN CC(=O)c1cccc(NC(=O)CN[C@H](c2ccccc2)c2ccc(OC(F)F)cc2)c1 ZINC000057362959 568829036 /nfs/dbraw/zinc/82/90/36/568829036.db2.gz RWNOTQZMLUJEFB-HSZRJFAPSA-N 0 0 424.447 4.808 50 0 HJAARN CC(=O)c1cccc(NC(=O)CN[C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)c1 ZINC000057362956 568829041 /nfs/dbraw/zinc/82/90/41/568829041.db2.gz RWNOTQZMLUJEFB-QHCPKHFHSA-N 0 0 424.447 4.808 50 0 HJAARN CCOc1ccccc1-c1nc(C(=O)NC[C@H]2CCCO2)cc2c3ccccc3[nH]c21 ZINC000005907534 568829347 /nfs/dbraw/zinc/82/93/47/568829347.db2.gz YBWUNJJLFXHCLN-MRXNPFEDSA-N 0 0 415.493 4.691 50 0 biogenic HJAARN O=C(c1ccccc1)N1CCN(C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000005930661 568829972 /nfs/dbraw/zinc/82/99/72/568829972.db2.gz JYUMFIVBSHDHGU-UHFFFAOYSA-N 0 0 417.534 4.634 50 0 HJAARN O=C1[C@@H](Cc2ccccc2)N=C2c3ccccc3N=C(SCc3ccc(F)cc3)N12 ZINC000002964390 568830628 /nfs/dbraw/zinc/83/06/28/568830628.db2.gz UAYMEYGHQHIYOQ-OAQYLSRUSA-N 0 0 415.493 4.960 50 0 HJAARN O=C(NC[C@H]1CCCO1)c1cc(Sc2ccc(F)cc2F)nc2ccccc21 ZINC000002965148 568830810 /nfs/dbraw/zinc/83/08/10/568830810.db2.gz VETYAGIYHMVXIZ-CQSZACIVSA-N 0 0 400.450 4.573 50 0 HJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2cccs2)cc1 ZINC000002970682 568831769 /nfs/dbraw/zinc/83/17/69/568831769.db2.gz PKALNAWCDHCVOB-UHFFFAOYSA-N 0 0 421.547 4.546 50 0 HJAARN CCc1ccc(NC(=O)[C@@H](CC)Sc2nc3ccccc3c(=O)n2C2CC2)cc1 ZINC000002974363 568832285 /nfs/dbraw/zinc/83/22/85/568832285.db2.gz GIZKYGVVDLQEGU-HXUWFJFHSA-N 0 0 407.539 4.803 50 0 HJAARN COc1ccc(/C=C\C(=O)Nc2ccc3nn(-c4cccc(Cl)c4)nc3c2)cc1 ZINC000005959148 568832369 /nfs/dbraw/zinc/83/23/69/568832369.db2.gz KYFWTAWEOXDVSW-GHXNOFRVSA-N 0 0 404.857 4.734 50 0 HJAARN O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000005975162 568833525 /nfs/dbraw/zinc/83/35/25/568833525.db2.gz UOCKWKYIOLPRGZ-MCADVSAISA-N 0 0 402.538 4.633 50 0 HJAARN CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3c[nH]c4ccccc43)o2)c1 ZINC000006028768 568835868 /nfs/dbraw/zinc/83/58/68/568835868.db2.gz QALQXPZBDUTASA-CYBMUJFWSA-N 0 0 406.467 4.540 50 0 HJAARN C[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)o1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000006028908 568835933 /nfs/dbraw/zinc/83/59/33/568835933.db2.gz PSJLEVCFYZBIAF-JLTOFOAXSA-N 0 0 418.522 4.892 50 0 HJAARN COc1ccc(NC(=O)NCCSCc2ccc(Br)s2)cc1 ZINC000031661296 568837434 /nfs/dbraw/zinc/83/74/34/568837434.db2.gz HZCQMHOKOKIZLM-UHFFFAOYSA-N 0 0 401.351 4.574 50 0 HJAARN O=C(NC1CC1)[C@H](Sc1nnc(Nc2ccccc2)s1)c1ccc(F)cc1 ZINC000012476566 568838624 /nfs/dbraw/zinc/83/86/24/568838624.db2.gz XKMJFIABEMUJQY-MRXNPFEDSA-N 0 0 400.504 4.533 50 0 HJAARN Cc1ccc(-c2nc3ccccc3c(=O)n2CC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000003018168 568838739 /nfs/dbraw/zinc/83/87/39/568838739.db2.gz WTGKHPXEHGFLEF-UHFFFAOYSA-N 0 0 421.859 4.803 50 0 HJAARN C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2Cl)c1 ZINC000003024428 568840873 /nfs/dbraw/zinc/84/08/73/568840873.db2.gz RUQFDVSFLQYRBR-SCLBCKFNSA-N 0 0 424.925 4.588 50 0 HJAARN C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2Cl)c1 ZINC000003024429 568841024 /nfs/dbraw/zinc/84/10/24/568841024.db2.gz RUQFDVSFLQYRBR-FZKQIMNGSA-N 0 0 424.925 4.588 50 0 HJAARN Cc1nnc(Sc2cc(C(=O)NCCc3ccccc3)c3ccccc3n2)s1 ZINC000003027182 568841581 /nfs/dbraw/zinc/84/15/81/568841581.db2.gz SQPCFAGAEMSADT-UHFFFAOYSA-N 0 0 406.536 4.518 50 0 HJAARN COc1cccc(C(=O)CSc2ccc(-c3cccc(Br)c3)nn2)c1 ZINC000057486357 568842171 /nfs/dbraw/zinc/84/21/71/568842171.db2.gz BOPOCDAFTZMYFK-UHFFFAOYSA-N 0 0 415.312 4.890 50 0 HJAARN O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)N1CCCc2ccccc21 ZINC000057486705 568842441 /nfs/dbraw/zinc/84/24/41/568842441.db2.gz DEQLDYVELSZCMP-UHFFFAOYSA-N 0 0 418.884 4.838 50 0 HJAARN Cc1cc(C(=O)N2CC[C@@H](C)Sc3ccccc32)c2nc3n(c2n1)CCCCC3 ZINC000012525256 568842673 /nfs/dbraw/zinc/84/26/73/568842673.db2.gz FMJJLWFBHWZXCR-MRXNPFEDSA-N 0 0 406.555 4.997 50 0 HJAARN Cc1cccc(N(C)C(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)c1 ZINC000057487247 568842959 /nfs/dbraw/zinc/84/29/59/568842959.db2.gz WDDKABGQWORLPB-UHFFFAOYSA-N 0 0 406.873 4.830 50 0 HJAARN Cc1cccc(-n2c(SCC(=O)Nc3ccccc3C)nc3ccsc3c2=O)c1 ZINC000057487417 568843356 /nfs/dbraw/zinc/84/33/56/568843356.db2.gz JJBKJKBOSMPVTH-UHFFFAOYSA-N 0 0 421.547 4.795 50 0 HJAARN O=C(COc1cccc(Oc2ccccn2)c1)Nc1ccccc1OCC(F)(F)F ZINC000012527815 568843820 /nfs/dbraw/zinc/84/38/20/568843820.db2.gz KDHKRBPRTBIKIR-UHFFFAOYSA-N 0 0 418.371 4.833 50 0 HJAARN Cc1nc(SCC(=O)N(Cc2ccccc2)C(C)(C)C)n(C[C@@H]2CCCO2)c1C ZINC000012535294 568845285 /nfs/dbraw/zinc/84/52/85/568845285.db2.gz FEOZNIAGEVJOLK-FQEVSTJZSA-N 0 0 415.603 4.598 50 0 HJAARN Cc1noc(C)c1CSc1ccccc1C(=O)NCCn1c(C)nc2ccccc21 ZINC000012537160 568845848 /nfs/dbraw/zinc/84/58/48/568845848.db2.gz XKDYBPFDVMNHCP-UHFFFAOYSA-N 0 0 420.538 4.672 50 0 HJAARN CCCCN(CC)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccnc1 ZINC000012536936 568846030 /nfs/dbraw/zinc/84/60/30/568846030.db2.gz BZRFDLRHGFOBER-UHFFFAOYSA-N 0 0 413.525 4.804 50 0 HJAARN O=C(COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21)NC1CCCC1 ZINC000003227919 568847410 /nfs/dbraw/zinc/84/74/10/568847410.db2.gz JKXNOGJRZUNUDM-UHFFFAOYSA-N 0 0 408.885 4.771 50 0 HJAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000012541232 568848291 /nfs/dbraw/zinc/84/82/91/568848291.db2.gz CWRJEIOYJBKPOB-AWEZNQCLSA-N 0 0 406.486 4.934 50 0 HJAARN CCc1cc(=O)n(CC(=O)Nc2cc(Cl)ccc2C)c(-c2cccc(Cl)c2)n1 ZINC000057527632 568850881 /nfs/dbraw/zinc/85/08/81/568850881.db2.gz FEXQRGUITKAQFX-UHFFFAOYSA-N 0 0 416.308 4.727 50 0 HJAARN Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccc(Cl)cc2F)c(=O)c1C ZINC000057528116 568851083 /nfs/dbraw/zinc/85/10/83/568851083.db2.gz RDZFCWAJOHCKBO-UHFFFAOYSA-N 0 0 420.271 4.612 50 0 HJAARN Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2cccc(C(C)C)c2)c(=O)c1C ZINC000057528239 568851095 /nfs/dbraw/zinc/85/10/95/568851095.db2.gz GFCUCLRHMCEDKW-UHFFFAOYSA-N 0 0 409.917 4.943 50 0 HJAARN Cn1ccnc1[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)c1ccc(Cl)cc1 ZINC000012548212 568851337 /nfs/dbraw/zinc/85/13/37/568851337.db2.gz IQDHDDYIMKAGIV-QFIPXVFZSA-N 0 0 406.917 4.783 50 0 HJAARN Cc1cc2nnc(SCC(=O)c3ccc(Br)s3)n2c2ccccc12 ZINC000003295166 568852687 /nfs/dbraw/zinc/85/26/87/568852687.db2.gz BLCINUJIFLSUJQ-UHFFFAOYSA-N 0 0 418.341 4.990 50 0 HJAARN O=c1c2ccccc2nc(SC[C@@H]2CCCCO2)n1Cc1ccc(Cl)cc1 ZINC000003298589 568852696 /nfs/dbraw/zinc/85/26/96/568852696.db2.gz XWGFZGNJGZINCC-KRWDZBQOSA-N 0 0 400.931 4.759 50 0 HJAARN C[C@@H](NC(=O)Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2)c1ccccc1 ZINC000003063735 568853252 /nfs/dbraw/zinc/85/32/52/568853252.db2.gz DQAXUQYGCLZVBL-MRXNPFEDSA-N 0 0 406.913 4.535 50 0 HJAARN O=C(CSc1nnc(Cc2ccccc2)n1C1CCCCC1)NCc1ccccc1 ZINC000057577728 568853987 /nfs/dbraw/zinc/85/39/87/568853987.db2.gz XJZIBGVXNHVLHM-UHFFFAOYSA-N 0 0 420.582 4.783 50 0 HJAARN Cc1ccc(-n2c(SCc3cn4c(cccc4C)n3)nnc2-c2ccncc2)cc1 ZINC000012552140 568853992 /nfs/dbraw/zinc/85/39/92/568853992.db2.gz IZJXNXQUOZICLF-UHFFFAOYSA-N 0 0 412.522 4.886 50 0 HJAARN C[C@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)C(=O)c1cnc2ccccc2n1 ZINC000012553608 568854787 /nfs/dbraw/zinc/85/47/87/568854787.db2.gz BQYJOLDIVMCAQN-QGZVFWFLSA-N 0 0 407.477 4.802 50 0 HJAARN CCCCCCn1nc(C(=O)Nc2nc3c(s2)CCCC3)c2ccccc2c1=O ZINC000003336696 568855421 /nfs/dbraw/zinc/85/54/21/568855421.db2.gz LCEUCKBEIDOIFU-UHFFFAOYSA-N 0 0 410.543 4.564 50 0 HJAARN CCN(CC)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012555453 568855449 /nfs/dbraw/zinc/85/54/49/568855449.db2.gz VGZSBIPMEAIHGZ-KROKWJMESA-N 0 0 423.601 4.679 50 0 HJAARN COc1ccc(CNC(=O)CN(c2nc3ccccc3s2)c2ccc(F)cc2)cc1 ZINC000012555690 568855450 /nfs/dbraw/zinc/85/54/50/568855450.db2.gz UEZFMFVDGDRUES-UHFFFAOYSA-N 0 0 421.497 4.899 50 0 HJAARN O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc21)Nc1ccc(F)c(F)c1 ZINC000003349578 568856319 /nfs/dbraw/zinc/85/63/19/568856319.db2.gz MKYJICUXOQTCJF-UHFFFAOYSA-N 0 0 408.360 4.569 50 0 HJAARN CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1 ZINC000003358419 568857190 /nfs/dbraw/zinc/85/71/90/568857190.db2.gz TXVKJADUDIBLLI-UHFFFAOYSA-N 0 0 409.507 4.603 50 0 HJAARN Cc1c(OCc2ccc(F)cc2)c(=O)ccn1-c1ncc(C(F)(F)F)cc1Cl ZINC000003128607 568857229 /nfs/dbraw/zinc/85/72/29/568857229.db2.gz SZLONMLATQMYSD-UHFFFAOYSA-N 0 0 412.770 4.931 50 0 HJAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCC(=O)c1c(C)[nH]c2ccccc21 ZINC000003375621 568857562 /nfs/dbraw/zinc/85/75/62/568857562.db2.gz GCRBSUNMOGXWKY-UHFFFAOYSA-N 0 0 421.884 4.723 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)cc1 ZINC000003395680 568857940 /nfs/dbraw/zinc/85/79/40/568857940.db2.gz URUGKXVNBRYXPY-UHFFFAOYSA-N 0 0 422.485 4.804 50 0 HJAARN CCOc1ccc2c(c1)oc(C(F)(F)F)c(Oc1ccc(C(=O)OC)cc1)c2=O ZINC000003165298 568858955 /nfs/dbraw/zinc/85/89/55/568858955.db2.gz UXOUXBSSUHPTDG-UHFFFAOYSA-N 0 0 408.328 4.789 50 0 HJAARN O=C(c1ccco1)N(CCCCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 ZINC000003461578 568860178 /nfs/dbraw/zinc/86/01/78/568860178.db2.gz OYWGYVDFICLTAO-UHFFFAOYSA-N 0 0 422.868 4.656 50 0 HJAARN C[C@H]1CCN(C(=O)CSc2n[nH]c(-c3ccccc3F)n2)c2ccccc2S1 ZINC000012568438 568860986 /nfs/dbraw/zinc/86/09/86/568860986.db2.gz PQGODQCUCAEYQA-ZDUSSCGKSA-N 0 0 414.531 4.620 50 0 HJAARN Cc1ccc2nc(CSc3nnc(-c4ccc(F)cc4)n3C[C@@H]3CCCO3)cn2c1 ZINC000012575588 568862350 /nfs/dbraw/zinc/86/23/50/568862350.db2.gz WQAQXIDKLPENMS-IBGZPJMESA-N 0 0 423.517 4.512 50 0 HJAARN Cc1nc2ccccc2c(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1C ZINC000003216572 568862835 /nfs/dbraw/zinc/86/28/35/568862835.db2.gz WAFYMGUANNPRFF-UHFFFAOYSA-N 0 0 403.265 4.954 50 0 HJAARN COc1ccccc1CNC(=O)COC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000003219196 568862950 /nfs/dbraw/zinc/86/29/50/568862950.db2.gz QCGZQFBECOZLAM-UHFFFAOYSA-N 0 0 411.542 4.763 50 0 HJAARN O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1ccc2c(c1)[C@H]1CCCCC[C@H]1N2 ZINC000057841228 568863304 /nfs/dbraw/zinc/86/33/04/568863304.db2.gz QLELVRFKHQWRAB-YLJYHZDGSA-N 0 0 416.525 4.726 50 0 HJAARN CCOc1ccc2nc(SCC(=O)N[C@H](C)CCc3ccccc3)sc2c1 ZINC000003221791 568863462 /nfs/dbraw/zinc/86/34/62/568863462.db2.gz BSTLNTUTCKIJBA-OAHLLOKOSA-N 0 0 400.569 4.925 50 0 HJAARN CCCn1cc(SCC(=O)NCCc2ccc(OC)c(OC)c2)c2ccccc21 ZINC000003581962 568863551 /nfs/dbraw/zinc/86/35/51/568863551.db2.gz XIXXLOYSXBCNSR-UHFFFAOYSA-N 0 0 412.555 4.520 50 0 HJAARN COc1cc(NCC(=O)N2CC[C@@H](C)Sc3ccccc32)c(OC)cc1Cl ZINC000057856282 568863635 /nfs/dbraw/zinc/86/36/35/568863635.db2.gz WGYRPSBVHJPHRL-CYBMUJFWSA-N 0 0 406.935 4.687 50 0 HJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1cccc(N(C)C)c1)CC2 ZINC000003224984 568863930 /nfs/dbraw/zinc/86/39/30/568863930.db2.gz WZTBHMXQJORCDD-HSZRJFAPSA-N 0 0 422.550 4.619 50 0 HJAARN Cc1ccc(C(=O)COC(=O)CSc2cc(C)c(Br)cc2C)cc1 ZINC000003228969 568864547 /nfs/dbraw/zinc/86/45/47/568864547.db2.gz OJIZBJQYDSUXMK-UHFFFAOYSA-N 0 0 407.329 4.893 50 0 HJAARN CC[C@@](C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)Cc1cccs1 ZINC000003625962 568864711 /nfs/dbraw/zinc/86/47/11/568864711.db2.gz MKLKKCFIJALGBZ-QFIPXVFZSA-N 0 0 402.560 4.530 50 0 HJAARN CC[C@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@@H](c3ccc(C(C)(C)C)cc3)N2C1=O ZINC000003636713 568865071 /nfs/dbraw/zinc/86/50/71/568865071.db2.gz AIFBFOSVAYAEPS-IEBWSBKVSA-N 0 0 414.571 4.974 50 0 HJAARN O=C(COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1)NCc1ccco1 ZINC000003234821 568865259 /nfs/dbraw/zinc/86/52/59/568865259.db2.gz XNRQLGGVMAZGPM-UHFFFAOYSA-N 0 0 418.371 4.515 50 0 HJAARN Cc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)Cc3ccccc3)c2)c(C)c1 ZINC000012583941 568865687 /nfs/dbraw/zinc/86/56/87/568865687.db2.gz RMVQXSYUZPXZIT-UHFFFAOYSA-N 0 0 408.523 4.594 50 0 HJAARN CCCCCCOc1ccc(-c2nc3s/c(=C\c4ccc(C)cc4)c(=O)n3n2)cc1 ZINC000003649108 568866168 /nfs/dbraw/zinc/86/61/68/568866168.db2.gz TVNGTJZLSCEWQD-PGMHBOJBSA-N 0 0 419.550 4.633 50 0 HJAARN CCCCCCn1nc(C(=O)N[C@H]2CCCc3ccccc32)c2ccccc2c1=O ZINC000003245500 568867147 /nfs/dbraw/zinc/86/71/47/568867147.db2.gz YDQRTTJAZYCMGS-QFIPXVFZSA-N 0 0 403.526 4.784 50 0 HJAARN O=C1C(=Cc2ccc(OCc3cccc(F)c3)cc2)NC(=S)N1C1CCCCC1 ZINC000003662795 568867255 /nfs/dbraw/zinc/86/72/55/568867255.db2.gz FLLVUJVDRWZNKF-STZFKDTASA-N 0 0 410.514 4.795 50 0 HJAARN O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1ccccc1OC(F)F ZINC000003246727 568867296 /nfs/dbraw/zinc/86/72/96/568867296.db2.gz RYCAJPIRZRXDPC-UHFFFAOYSA-N 0 0 411.813 4.952 50 0 HJAARN CCOC(=O)c1c(NC(=S)Nc2ccc(NC(C)=O)cc2)sc2c1CCCC2 ZINC000003251678 568867814 /nfs/dbraw/zinc/86/78/14/568867814.db2.gz HKYLYUZRUTWLRX-UHFFFAOYSA-N 0 0 417.556 4.571 50 0 HJAARN C[C@@H](NC(=O)C(=Cc1cccs1)C(=O)N[C@H](C)c1ccccc1)c1ccccc1 ZINC000003250949 568867904 /nfs/dbraw/zinc/86/79/04/568867904.db2.gz VONGLCNXHWJENU-QZTJIDSGSA-N 0 0 404.535 4.886 50 0 HJAARN CC(=O)c1ccccc1OCCSc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000012592522 568868391 /nfs/dbraw/zinc/86/83/91/568868391.db2.gz XJJLVESSTXOCKD-UHFFFAOYSA-N 0 0 415.824 4.775 50 0 HJAARN CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC)O[C@H](C)C2 ZINC000012590766 568868407 /nfs/dbraw/zinc/86/84/07/568868407.db2.gz SSWAPUYMGPHPGU-OLZOCXBDSA-N 0 0 404.894 4.510 50 0 HJAARN CCC(=O)N(c1nnc(SCCOc2c(Cl)cccc2Cl)s1)C1CC1 ZINC000012599550 568869780 /nfs/dbraw/zinc/86/97/80/568869780.db2.gz GHYNPNFEXHPGBN-UHFFFAOYSA-N 0 0 418.371 4.921 50 0 HJAARN O=C1c2ccccc2N[C@H](c2cc(Cl)c3c(c2)OCCCO3)N1CC(F)(F)F ZINC000012600506 568869957 /nfs/dbraw/zinc/86/99/57/568869957.db2.gz KKPQMTFOTANZMX-KRWDZBQOSA-N 0 0 412.795 4.630 50 0 HJAARN CCOC(=O)c1c(-c2ccc(C)s2)csc1NC(=O)CN1CCC(C)CC1 ZINC000003267100 568870013 /nfs/dbraw/zinc/87/00/13/568870013.db2.gz KAXHQECRZWYFJB-UHFFFAOYSA-N 0 0 406.573 4.632 50 0 HJAARN COc1ccccc1[C@@H](NC(=O)c1oc2c(cccc2Cl)c1C)c1nccn1C ZINC000012602008 568870210 /nfs/dbraw/zinc/87/02/10/568870210.db2.gz DDVRQBNNWJHXDD-GOSISDBHSA-N 0 0 409.873 4.656 50 0 HJAARN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc(C(F)(F)F)cc1 ZINC000003273715 568870807 /nfs/dbraw/zinc/87/08/07/568870807.db2.gz JPDGDGZIYAAGLC-UHFFFAOYSA-N 0 0 417.456 4.973 50 0 HJAARN CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccccc2OC(F)F)c1C ZINC000003283733 568872182 /nfs/dbraw/zinc/87/21/82/568872182.db2.gz XNNOCRAIQJJGQU-UHFFFAOYSA-N 0 0 414.408 4.503 50 0 HJAARN CCN(C(=O)CSc1nnc(-c2ccc(OC)cc2)n1C(C)C)c1ccccc1 ZINC000003286119 568872447 /nfs/dbraw/zinc/87/24/47/568872447.db2.gz ANBQAYJGUWVNJH-UHFFFAOYSA-N 0 0 410.543 4.680 50 0 HJAARN C[C@H]1CCCN(Cc2csc(NC(=O)c3cnn(-c4ccccc4)c3C3CC3)n2)C1 ZINC000030581014 568873219 /nfs/dbraw/zinc/87/32/19/568873219.db2.gz ZKCIQTZPYGSLNL-INIZCTEOSA-N 0 0 421.570 4.690 50 0 HJAARN O=C(CSc1nncn1-c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003292773 568873910 /nfs/dbraw/zinc/87/39/10/568873910.db2.gz GTTUKFSDCFDSRY-UHFFFAOYSA-N 0 0 412.824 4.670 50 0 HJAARN Cc1cccc(Nc2nnc(SCC(=O)NCc3ccccc3Cl)s2)c1 ZINC000003295588 568874972 /nfs/dbraw/zinc/87/49/72/568874972.db2.gz CDDHRYKXSLLNRA-UHFFFAOYSA-N 0 0 404.948 4.652 50 0 HJAARN O=C(Oc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000003297591 568875498 /nfs/dbraw/zinc/87/54/98/568875498.db2.gz SJAGVBIBRZPSMH-HSZRJFAPSA-N 0 0 420.436 4.834 50 0 HJAARN O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1c[nH]c2ccccc12 ZINC000003298224 568875616 /nfs/dbraw/zinc/87/56/16/568875616.db2.gz GLTPROMIHVJKRD-UHFFFAOYSA-N 0 0 410.808 4.858 50 0 HJAARN O=C1CCCC[C@@H]1Sc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 ZINC000003308037 568877645 /nfs/dbraw/zinc/87/76/45/568877645.db2.gz AYRRPVJPVUJPJF-IBGZPJMESA-N 0 0 424.591 4.989 50 0 HJAARN O=C1C[C@H](c2ccc3c(c2)OCCO3)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263586447 568879170 /nfs/dbraw/zinc/87/91/70/568879170.db2.gz UODUSVTYRXYIBB-LJQANCHMSA-N 0 0 410.473 4.935 50 0 biogenic HJAARN COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)c1C ZINC000003317987 568879726 /nfs/dbraw/zinc/87/97/26/568879726.db2.gz KNNDETWWQGNLPU-QGZVFWFLSA-N 0 0 415.505 4.689 50 0 HJAARN Cc1ccc(OCC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)cc1C ZINC000015356708 568879848 /nfs/dbraw/zinc/87/98/48/568879848.db2.gz IYGLHAWQHWXIBT-UHFFFAOYSA-N 0 0 411.889 4.577 50 0 HJAARN CC(C)CCSc1nnc(Cn2c3ccccc3sc2=O)n1-c1ccccc1 ZINC000004062239 568881603 /nfs/dbraw/zinc/88/16/03/568881603.db2.gz ZBQAHVSFZAWMKF-UHFFFAOYSA-N 0 0 410.568 4.830 50 0 HJAARN COc1ccc(/C=C/C(=O)N2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000004062803 568881609 /nfs/dbraw/zinc/88/16/09/568881609.db2.gz XAXWXKBSOOOXDQ-KMPHKNMPSA-N 0 0 421.537 4.612 50 0 biogenic HJAARN Cc1cccc(OCCCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1 ZINC000003329368 568881691 /nfs/dbraw/zinc/88/16/91/568881691.db2.gz JMVNWZRWSCPJCL-UHFFFAOYSA-N 0 0 404.514 4.778 50 0 HJAARN COCCn1ccc2c1cccc2OCC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000263586998 568881678 /nfs/dbraw/zinc/88/16/78/568881678.db2.gz AVKGUZFNQFZQEU-UHFFFAOYSA-N 0 0 421.541 4.686 50 0 HJAARN Cc1cccc(N2C(=O)[C@@H]3Cc4c5ccccc5[nH]c4[C@H](c4ccccc4)N3C2=O)c1 ZINC000004062734 568881749 /nfs/dbraw/zinc/88/17/49/568881749.db2.gz PJRTZJSMXWTWDQ-UPVQGACJSA-N 0 0 407.473 4.959 50 0 biogenic HJAARN C[C@]12C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)N1CCc1c3ccccc3[nH]c12 ZINC000004073160 568882441 /nfs/dbraw/zinc/88/24/41/568882441.db2.gz HZZNQAZNIWVYAP-FQEVSTJZSA-N 0 0 400.265 4.715 50 0 biogenic HJAARN Cc1nc(NC(=O)c2cc(C)nc3ccccc32)sc1Cc1ccc2c(c1)OCO2 ZINC000003336922 568882936 /nfs/dbraw/zinc/88/29/36/568882936.db2.gz FZFNXDHYGNQEJW-UHFFFAOYSA-N 0 0 417.490 4.880 50 0 HJAARN O=C(OCCN1C(=O)c2ccccc2C1=O)c1sc2cc(Cl)ccc2c1Cl ZINC000003336597 568883013 /nfs/dbraw/zinc/88/30/13/568883013.db2.gz RGSANVSVXFHFAK-UHFFFAOYSA-N 0 0 420.273 4.661 50 0 HJAARN Cc1cc(C(=O)COC(=O)c2ccccc2Br)c(C)n1Cc1ccco1 ZINC000003338170 568883146 /nfs/dbraw/zinc/88/31/46/568883146.db2.gz VSOKOVOZXXQLBU-UHFFFAOYSA-N 0 0 416.271 4.548 50 0 HJAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc(F)c(F)c1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000263588917 568884530 /nfs/dbraw/zinc/88/45/30/568884530.db2.gz ZWLGHHQXKUGFQL-NRFANRHFSA-N 0 0 421.447 4.701 50 0 HJAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000015390895 568884695 /nfs/dbraw/zinc/88/46/95/568884695.db2.gz RJNXGONRCOIBFL-KRWDZBQOSA-N 0 0 420.962 4.529 50 0 HJAARN Cc1cccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000015391048 568884872 /nfs/dbraw/zinc/88/48/72/568884872.db2.gz RPWBFPDHMXEMAT-GOSISDBHSA-N 0 0 420.962 4.529 50 0 HJAARN Cc1csc(SCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)n1 ZINC000003347760 568884945 /nfs/dbraw/zinc/88/49/45/568884945.db2.gz AUFOMRJOQGOTMI-HNNXBMFYSA-N 0 0 411.552 4.673 50 0 HJAARN C[C@@H]1CCc2[nH]c3ccc(C(=O)N(C)CC(=O)Nc4ccccc4Cl)cc3c2C1 ZINC000015388816 568885130 /nfs/dbraw/zinc/88/51/30/568885130.db2.gz XGGZSQGNBCPTAV-CQSZACIVSA-N 0 0 409.917 4.657 50 0 HJAARN O=C(CCNC(=O)c1ccccc1Cl)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000003382704 568892890 /nfs/dbraw/zinc/89/28/90/568892890.db2.gz ZVSKRBVMYJLUSD-UHFFFAOYSA-N 0 0 421.856 4.500 50 0 HJAARN C[C@@H]1CN(Cc2cccc(CNC(=O)Nc3cc(Cl)ccc3Cl)c2)CCO1 ZINC000058157489 568893548 /nfs/dbraw/zinc/89/35/48/568893548.db2.gz HHUALMUVKVKDEE-CQSZACIVSA-N 0 0 408.329 4.536 50 0 HJAARN CCn1c(SCC(=O)c2cc(C)n([C@H](C)COC)c2C)nnc1-c1cccs1 ZINC000003391653 568894661 /nfs/dbraw/zinc/89/46/61/568894661.db2.gz POZUZAMRAWVWKJ-CQSZACIVSA-N 0 0 418.588 4.627 50 0 HJAARN COc1ccc([C@@H](NC(=O)CCCc2c[nH]c3ccccc23)C(F)(F)F)cc1OC ZINC000058162436 568894827 /nfs/dbraw/zinc/89/48/27/568894827.db2.gz PCCJOWWKDNIUIU-OAQYLSRUSA-N 0 0 420.431 4.928 50 0 HJAARN Cc1[nH]c2ccccc2c1C1CCN(Cn2nc(-c3cccnc3)n(C)c2=S)CC1 ZINC000058166522 568895257 /nfs/dbraw/zinc/89/52/57/568895257.db2.gz UODJYVSSWBAXGL-UHFFFAOYSA-N 0 0 418.570 4.640 50 0 HJAARN CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)CC(c2ccccc2)c2ccccc2)C1 ZINC000058167066 568895469 /nfs/dbraw/zinc/89/54/69/568895469.db2.gz UOMMZNBYIMIVAN-OFNKIYASSA-N 0 0 406.570 4.752 50 0 HJAARN COc1ccc(OC)c(NC(=O)CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000003398562 568895911 /nfs/dbraw/zinc/89/59/11/568895911.db2.gz QCRUINAIKAHZKO-UHFFFAOYSA-N 0 0 422.325 4.792 50 0 HJAARN CC(C)OCc1c2ccccc2oc1C(=O)OCC(=O)Nc1ccc2c(c1)CCC2 ZINC000003399941 568896092 /nfs/dbraw/zinc/89/60/92/568896092.db2.gz BFCUWCBVMCTPBN-UHFFFAOYSA-N 0 0 407.466 4.642 50 0 HJAARN O=C(CSc1ccccc1C(=O)NCc1ccc(F)cc1)NCC1CCCCC1 ZINC000003420860 568899925 /nfs/dbraw/zinc/89/99/25/568899925.db2.gz GAMSMBMKGRLXBQ-UHFFFAOYSA-N 0 0 414.546 4.544 50 0 HJAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1c(C)onc1-c1ccccc1 ZINC000003424632 568900347 /nfs/dbraw/zinc/90/03/47/568900347.db2.gz OMDMAAABZUFXKD-UHFFFAOYSA-N 0 0 411.889 4.713 50 0 HJAARN O=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)Nc1ccc2c(c1)CCC2 ZINC000003432099 568902079 /nfs/dbraw/zinc/90/20/79/568902079.db2.gz WSEFQMSMIRRNBP-UHFFFAOYSA-N 0 0 417.437 4.558 50 0 HJAARN COc1cccc(Nc2nnc(SCC(=O)N(CC(C)C)CC(C)C)s2)c1 ZINC000003439373 568903175 /nfs/dbraw/zinc/90/31/75/568903175.db2.gz YUTOGEMDONFVDR-UHFFFAOYSA-N 0 0 408.593 4.523 50 0 HJAARN O=C(Nc1cc(C(=O)Nc2nnc(C3CC3)s2)ccc1Cl)c1cccs1 ZINC000003456077 568906387 /nfs/dbraw/zinc/90/63/87/568906387.db2.gz VBTSZFLHNLJGOQ-UHFFFAOYSA-N 0 0 404.904 4.635 50 0 HJAARN O=C(COC(=O)c1cc(-c2ccccn2)nc2ccccc21)NC1CCCCCCC1 ZINC000012653096 568906701 /nfs/dbraw/zinc/90/67/01/568906701.db2.gz WDLAHABAKDQGOR-UHFFFAOYSA-N 0 0 417.509 4.683 50 0 HJAARN O=C(/C=C/c1ccccc1)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000001265606 568909296 /nfs/dbraw/zinc/90/92/96/568909296.db2.gz ZBUIFYHBCHONDU-DHZHZOJOSA-N 0 0 419.472 4.832 50 0 HJAARN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3nn(-c4ccccc4)c4c3CCC4)nc2c1 ZINC000058297611 568909390 /nfs/dbraw/zinc/90/93/90/568909390.db2.gz ALKSHDLNJSUQGJ-QFIPXVFZSA-N 0 0 411.509 4.523 50 0 HJAARN Cc1oc2nc[nH]c(=O)c2c1C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000025704565 568909741 /nfs/dbraw/zinc/90/97/41/568909741.db2.gz WTYYYTWUBSHTCI-UHFFFAOYSA-N 0 0 416.462 4.662 50 0 HJAARN COc1ccc(-n2c(N)c(-c3nc4ccccc4[nH]3)c3nc4ccccc4nc32)cc1 ZINC000001273605 568909940 /nfs/dbraw/zinc/90/99/40/568909940.db2.gz QNPGGGBIYLWLPO-UHFFFAOYSA-N 0 0 406.449 4.708 50 0 HJAARN Cc1ccc([C@H](O)Cn2ccn3nc(-c4ccc(C(C)C)cc4)cc3c2=O)cc1C ZINC000263616733 568911019 /nfs/dbraw/zinc/91/10/19/568911019.db2.gz KGWIVLDZLAEUCM-XMMPIXPASA-N 0 0 401.510 4.637 50 0 HJAARN COc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3Cl)no2)cc1F ZINC000263617194 568911333 /nfs/dbraw/zinc/91/13/33/568911333.db2.gz MPHZYJFPAHWOPL-MRXNPFEDSA-N 0 0 401.825 4.515 50 0 HJAARN CSC1=NC2(CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)N=C1c1ccccc1 ZINC000263617662 568911572 /nfs/dbraw/zinc/91/15/72/568911572.db2.gz OXQGPBXTNMZSGK-UHFFFAOYSA-N 0 0 406.555 4.892 50 0 HJAARN Cc1ccc(-c2nnc(SCc3csc(-c4ccc(C(N)=O)cc4)n3)o2)cc1 ZINC000052889369 568911784 /nfs/dbraw/zinc/91/17/84/568911784.db2.gz CCMXQUIFSXLNIW-UHFFFAOYSA-N 0 0 408.508 4.560 50 0 HJAARN CSc1ccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccc(F)cc3)OC4)n2)cc1 ZINC000263618968 568912184 /nfs/dbraw/zinc/91/21/84/568912184.db2.gz WHKIRWRZVPWLBO-IBGZPJMESA-N 0 0 408.458 4.733 50 0 HJAARN COc1cc(C2SCCS2)ccc1OC(=O)c1cc(Cl)c2c(c1)OCCO2 ZINC000025730211 568913147 /nfs/dbraw/zinc/91/31/47/568913147.db2.gz FODFLQIUQCODPC-UHFFFAOYSA-N 0 0 424.927 4.818 50 0 HJAARN C[C@@H]1CCC[C@@H](NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)[C@H]1C ZINC000003542389 568914059 /nfs/dbraw/zinc/91/40/59/568914059.db2.gz OXJAJWMYNWPXBW-SOLBZPMBSA-N 0 0 410.543 4.560 50 0 HJAARN C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)/C(=C\c1ccc(F)cc1)c1cccs1 ZINC000229399450 568915404 /nfs/dbraw/zinc/91/54/04/568915404.db2.gz ALLDKEYQIQYRDA-BWXBNJGRSA-N 0 0 401.503 4.761 50 0 HJAARN CCCn1c(SCC(=O)c2ccc(Br)s2)nnc1-c1ccncc1 ZINC000003559166 568915630 /nfs/dbraw/zinc/91/56/30/568915630.db2.gz XJIYNRGWSWCZNT-UHFFFAOYSA-N 0 0 423.361 4.549 50 0 HJAARN NC(=O)c1c2c(sc1NC(=O)c1ccc(C(=O)c3ccccc3)cc1)CCCCC2 ZINC000004134722 568915645 /nfs/dbraw/zinc/91/56/45/568915645.db2.gz FTQQULVNFUBTOY-UHFFFAOYSA-N 0 0 418.518 4.599 50 0 HJAARN COC(=O)c1ccc(-c2csc(NC(=O)c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000004134720 568915669 /nfs/dbraw/zinc/91/56/69/568915669.db2.gz SMYXVKWUXFMCJO-UHFFFAOYSA-N 0 0 406.385 4.868 50 0 HJAARN CC(C)(C)[C@@H]1CCc2sc(C(=O)N(Cc3ccc(C(N)=O)cc3)C3CC3)cc2C1 ZINC000031169137 568916793 /nfs/dbraw/zinc/91/67/93/568916793.db2.gz HZQXMJQMDNCJSM-GOSISDBHSA-N 0 0 410.583 4.803 50 0 HJAARN COc1ccc(-c2nc(CCNC(=O)c3cccc4ccccc43)cs2)cc1OC ZINC000004167128 568919571 /nfs/dbraw/zinc/91/95/71/568919571.db2.gz KDGAGMLHVSOWJN-UHFFFAOYSA-N 0 0 418.518 4.953 50 0 HJAARN C=c1cc(C)[nH]c(=O)c1=C1Nc2ccccc2C(c2ccccc2)(c2ccccc2)N1 ZINC000004171124 568921294 /nfs/dbraw/zinc/92/12/94/568921294.db2.gz WHGAWCSXCXTHNX-UHFFFAOYSA-N 0 0 405.501 4.965 50 0 HJAARN O=C1C[C@H](Sc2ncc(C(F)(F)F)cc2Cl)C(=O)N1c1ccc(Cl)cc1 ZINC000001387018 568922749 /nfs/dbraw/zinc/92/27/49/568922749.db2.gz BMTLCQHCMNAGGR-LBPRGKRZSA-N 0 0 421.227 4.831 50 0 HJAARN O=C(c1ccc(Cl)cc1)c1nn(-c2cccc(Cl)c2)c(=O)cc1C(F)(F)F ZINC000001389631 568923386 /nfs/dbraw/zinc/92/33/86/568923386.db2.gz JOTXWNPAJLILTC-UHFFFAOYSA-N 0 0 413.182 4.789 50 0 HJAARN CSc1ccc(C)c(C(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)c1 ZINC000012734733 568923543 /nfs/dbraw/zinc/92/35/43/568923543.db2.gz WPWSGZOAYJECNR-UHFFFAOYSA-N 0 0 417.581 4.790 50 0 HJAARN COc1ccc([C@H](CNC(=O)CCCn2cccc2)c2c[nH]c3ccccc32)cc1 ZINC000438572413 568923629 /nfs/dbraw/zinc/92/36/29/568923629.db2.gz DOOUVXYVCFKFDN-QFIPXVFZSA-N 0 0 401.510 4.707 50 0 HJAARN CC(C)C(=O)N1CCC(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1 ZINC000012733873 568923911 /nfs/dbraw/zinc/92/39/11/568923911.db2.gz YOZXLCUTKDECEM-UHFFFAOYSA-N 0 0 413.587 4.941 50 0 HJAARN CC(=O)N[C@@H](CC(=O)Nc1cccc(COc2cccc(F)c2)c1)c1ccccc1 ZINC000031397558 568925592 /nfs/dbraw/zinc/92/55/92/568925592.db2.gz XHEOCCUZBTVDSL-QHCPKHFHSA-N 0 0 406.457 4.611 50 0 HJAARN CCOC(=O)c1cnc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2c1O ZINC000001400640 568926835 /nfs/dbraw/zinc/92/68/35/568926835.db2.gz QBEUHGIDKRUDJI-UHFFFAOYSA-N 0 0 412.751 4.564 50 0 HJAARN COc1cc(CN(C(=O)c2nc(Cl)ccc2Cl)C2CC2)ccc1OC(F)F ZINC000031496614 568927082 /nfs/dbraw/zinc/92/70/82/568927082.db2.gz DXUCIPRJOACJPK-UHFFFAOYSA-N 0 0 417.239 4.803 50 0 HJAARN COc1ccc([C@H]2CCCN2c2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)cc1 ZINC000083943969 568927182 /nfs/dbraw/zinc/92/71/82/568927182.db2.gz WWEFZYNGXCTYNY-GOSISDBHSA-N 0 0 416.308 4.889 50 0 HJAARN COc1ccc(CN(C(=O)[C@H](C)Oc2ccc(F)cc2Br)C2CC2)cc1 ZINC000031705533 568929397 /nfs/dbraw/zinc/92/93/97/568929397.db2.gz GNAVNEDMFKZMAU-ZDUSSCGKSA-N 0 0 422.294 4.555 50 0 HJAARN Cc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)Nc4ccccc4)cc3)sc2c1 ZINC000012741540 568929706 /nfs/dbraw/zinc/92/97/06/568929706.db2.gz UDHUZHRUKDCUHR-UHFFFAOYSA-N 0 0 423.519 4.658 50 0 HJAARN Cc1ccc(C)c(NC(=O)CCC(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000001862479 568930907 /nfs/dbraw/zinc/93/09/07/568930907.db2.gz CMTHRIWGUCVUQI-UHFFFAOYSA-N 0 0 408.281 4.755 50 0 HJAARN O=C(Nc1cccc2ccccc21)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000003991806 568931328 /nfs/dbraw/zinc/93/13/28/568931328.db2.gz XZYZEAHZCYTYLN-UHFFFAOYSA-N 0 0 402.475 4.893 50 0 HJAARN CCCCO[C@@H]1C[C@H](c2ccc(OCc3ccc(OC)cc3)c(OC)c2)N(C)O1 ZINC000004002173 568932826 /nfs/dbraw/zinc/93/28/26/568932826.db2.gz KHROVKCHSKLFGG-OFNKIYASSA-N 0 0 401.503 4.734 50 0 HJAARN Cc1nn(C)c(C)c1[C@@H](NC(=O)Nc1ncc(-c2ccccc2)s1)C(F)(F)F ZINC000084011928 568932927 /nfs/dbraw/zinc/93/29/27/568932927.db2.gz LVXOZOIMQRDBTC-OAHLLOKOSA-N 0 0 409.437 4.586 50 0 HJAARN Cc1cc(C)c(NC(=O)CN(C)CCC(=O)Nc2cc(Cl)ccc2Cl)c(C)c1 ZINC000012747168 568932950 /nfs/dbraw/zinc/93/29/50/568932950.db2.gz ZYZFNIRPJFXKJX-UHFFFAOYSA-N 0 0 422.356 4.818 50 0 HJAARN Cc1noc(C)c1CC(=O)Nc1nc2cc(Cl)ccc2n1CCCc1ccccc1 ZINC000084023118 568933120 /nfs/dbraw/zinc/93/31/20/568933120.db2.gz IDIXDRKJTJHDSF-UHFFFAOYSA-N 0 0 422.916 5.109 50 0 HJAARN COc1ccc2c(c1)c(C(=O)NC1(c3noc(C)n3)CCCC1)c(C)n2C1CCCC1 ZINC000084026940 568933310 /nfs/dbraw/zinc/93/33/10/568933310.db2.gz LQBFVOJULICQNN-UHFFFAOYSA-N 0 0 422.529 4.964 50 0 HJAARN COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(c2)oc(=O)cc3-c2ccccc2)cc1 ZINC000004029371 568934292 /nfs/dbraw/zinc/93/42/92/568934292.db2.gz MNZJUZFZFRKBCR-INIZCTEOSA-N 0 0 415.445 4.875 50 0 biogenic HJAARN O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)[C@@H]1COc2ccccc2O1 ZINC000012749554 568937278 /nfs/dbraw/zinc/93/72/78/568937278.db2.gz HEVQDLTULMDJLL-KRWDZBQOSA-N 0 0 420.412 4.531 50 0 HJAARN Cc1cc(NC(=O)[C@H](Sc2nc3cc(Cl)ccc3n2C)c2ccccc2)no1 ZINC000084119876 568939034 /nfs/dbraw/zinc/93/90/34/568939034.db2.gz UJTKGMCEKLTQPG-GOSISDBHSA-N 0 0 412.902 4.995 50 0 HJAARN COc1ccc(-c2oc(=O)n(Cc3cccc(OC)c3)c2-c2ccc(OC)cc2)cc1 ZINC000001426835 568939337 /nfs/dbraw/zinc/93/93/37/568939337.db2.gz ILLZARMHAMQNKE-UHFFFAOYSA-N 0 0 417.461 4.849 50 0 HJAARN O=c1c2c(nc3n1CCS3)c1cc(F)ccc1n2Cc1cccc(C(F)(F)F)c1 ZINC000001428170 568939422 /nfs/dbraw/zinc/93/94/22/568939422.db2.gz BJOFMCSMIZFXBR-UHFFFAOYSA-N 0 0 419.403 4.663 50 0 HJAARN CCOC(=O)c1c2cc(O)c(Br)cc2n(C2CCCCC2)c1CN(C)C ZINC000001428625 568939488 /nfs/dbraw/zinc/93/94/88/568939488.db2.gz OPUSGSKJDRALLT-UHFFFAOYSA-N 0 0 423.351 4.853 50 0 HJAARN O=C1OCC2=C1[C@@H](c1cccc(Cl)c1)CC(=O)N2c1ccc(C(F)(F)F)cc1 ZINC000001429651 568939782 /nfs/dbraw/zinc/93/97/82/568939782.db2.gz CPQQSETVOOSBBR-OAHLLOKOSA-N 0 0 407.775 4.690 50 0 HJAARN COCCCNC(=O)Cc1c(C)c2c3occ(-c4ccccc4)c3c(C)cc2oc1=O ZINC000004089232 568941478 /nfs/dbraw/zinc/94/14/78/568941478.db2.gz OYFQQIAUDLXRFO-UHFFFAOYSA-N 0 0 419.477 4.518 50 0 biogenic HJAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)N[C@@H](C)c1ccccc1)OC(C)(C)CC3 ZINC000004089378 568941642 /nfs/dbraw/zinc/94/16/42/568941642.db2.gz IPSOWELRKOENJV-INIZCTEOSA-N 0 0 405.494 4.625 50 0 biogenic HJAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N[C@@H](C)c1ccccc1 ZINC000012754304 568942365 /nfs/dbraw/zinc/94/23/65/568942365.db2.gz XSOFXIKKICSYDB-ZDUSSCGKSA-N 0 0 415.415 4.568 50 0 HJAARN Cc1ccccc1[C@H](C)NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000012755119 568942702 /nfs/dbraw/zinc/94/27/02/568942702.db2.gz CQUMPHMGSCURBZ-IBGZPJMESA-N 0 0 400.522 4.878 50 0 HJAARN CC[C@@H](C)c1ccc(-c2csc(NC(=O)Cn3cnc4sccc4c3=O)n2)cc1 ZINC000012755954 568942892 /nfs/dbraw/zinc/94/28/92/568942892.db2.gz BZSJDBIJEOGEPQ-CYBMUJFWSA-N 0 0 424.551 4.734 50 0 HJAARN CC(C)(C)c1ccc(S(=O)(=O)N2CCCN=C2SCc2ccccc2)cc1 ZINC000004105518 568943137 /nfs/dbraw/zinc/94/31/37/568943137.db2.gz QHTDEOBGSLZQFS-UHFFFAOYSA-N 0 0 402.585 4.668 50 0 HJAARN Cc1ccc([C@@]2(C)NC(=O)N(Cc3cnc(-c4ccc(C(C)C)cc4)s3)C2=O)o1 ZINC000084195219 568944669 /nfs/dbraw/zinc/94/46/69/568944669.db2.gz HPQQJVWPZANNRX-JOCHJYFZSA-N 0 0 409.511 4.802 50 0 HJAARN Cc1ccccc1-n1ccnc1SCC(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000084247915 568945038 /nfs/dbraw/zinc/94/50/38/568945038.db2.gz BLDAWGRPZUZFBF-UHFFFAOYSA-N 0 0 407.326 4.801 50 0 HJAARN O=C(Nc1nnc(COc2ccc(Br)cc2)s1)c1ccccc1Cl ZINC000004150925 568947171 /nfs/dbraw/zinc/94/71/71/568947171.db2.gz PPOXMQVLXPOZFH-UHFFFAOYSA-N 0 0 424.707 4.785 50 0 HJAARN COc1cccc(NC(=O)CN2c3ccccc3S[C@@H](c3ccccc3)CC2=O)c1 ZINC000004162770 568947525 /nfs/dbraw/zinc/94/75/25/568947525.db2.gz LTLKEHKEDAKNNT-JOCHJYFZSA-N 0 0 418.518 4.904 50 0 HJAARN O=C(CCc1ccc2c(c1)OCO2)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000012765404 568947716 /nfs/dbraw/zinc/94/77/16/568947716.db2.gz RXFIJZDXHFPFSB-UHFFFAOYSA-N 0 0 401.768 4.581 50 0 HJAARN O=C(CSc1nc2ccccc2s1)Nc1nnc(-c2ccc(F)cc2)s1 ZINC000004174408 568948465 /nfs/dbraw/zinc/94/84/65/568948465.db2.gz UFXLAPIDTHTOCA-UHFFFAOYSA-N 0 0 402.501 4.685 50 0 HJAARN Cc1sc(NC(=O)C[C@@H](C)NC(=O)c2ccccc2)nc1-c1ccc(F)c(F)c1 ZINC000012766640 568948779 /nfs/dbraw/zinc/94/87/79/568948779.db2.gz QFJZEAAVZDBKRB-GFCCVEGCSA-N 0 0 415.465 4.544 50 0 HJAARN COCCOc1ccc(C(F)(F)F)cc1NCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000012767496 568949348 /nfs/dbraw/zinc/94/93/48/568949348.db2.gz OALWVZROIUIORL-UHFFFAOYSA-N 0 0 420.790 4.574 50 0 HJAARN CCc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3ccccc3Cl)cs2)cc1 ZINC000012767876 568949636 /nfs/dbraw/zinc/94/96/36/568949636.db2.gz MUIUORZXXLYRIR-UHFFFAOYSA-N 0 0 413.930 4.737 50 0 HJAARN O=C([C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1)N(C[C@@H]1CCOC1)c1ccccc1 ZINC000084549105 568950886 /nfs/dbraw/zinc/95/08/86/568950886.db2.gz VANLLKCRTJYHPA-XOBRGWDASA-N 0 0 419.308 4.556 50 0 HJAARN Cc1nc2cc(NC(=O)c3cc(Br)c(Br)s3)ccc2o1 ZINC000015578322 568951310 /nfs/dbraw/zinc/95/13/10/568951310.db2.gz MDDBNQUXCNYYRK-UHFFFAOYSA-N 0 0 416.094 4.975 50 0 HJAARN CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)Nc1ccc4c(c1)-c1ccccc1C4)(C3)C2 ZINC000012770652 568951528 /nfs/dbraw/zinc/95/15/28/568951528.db2.gz HPYAJHKZDAQVKY-LJQDGHHOSA-N 0 0 400.522 4.671 50 0 HJAARN CCN(CC)C(=O)c1ccc(NC(=O)c2cccnc2Sc2ccccc2)cc1 ZINC000012772883 568952360 /nfs/dbraw/zinc/95/23/60/568952360.db2.gz COLHXMQQWMNZNA-UHFFFAOYSA-N 0 0 405.523 4.967 50 0 HJAARN COc1ccc([C@H]2CCCN2Cn2nc(-c3ccc(C)cc3)n(C)c2=S)c(OC)c1 ZINC000012773068 568952576 /nfs/dbraw/zinc/95/25/76/568952576.db2.gz TUDCCDQDTSKGTK-HXUWFJFHSA-N 0 0 424.570 4.738 50 0 HJAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N(C)CC(=O)Nc1cccc(F)c1 ZINC000012772398 568952606 /nfs/dbraw/zinc/95/26/06/568952606.db2.gz HDDLHDMAANKDGH-UHFFFAOYSA-N 0 0 417.893 4.622 50 0 HJAARN CCCCC1CCC(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)C[S@@](=O)C3)CC1 ZINC000004224676 568952671 /nfs/dbraw/zinc/95/26/71/568952671.db2.gz HPYTXZGWKZVYRX-QXKGYIFTSA-N 0 0 417.550 4.709 50 0 HJAARN C[C@H](CNC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)CN1CCCC1=O ZINC000084638453 568954337 /nfs/dbraw/zinc/95/43/37/568954337.db2.gz WVLUNMPDSXQXRA-SNVBAGLBSA-N 0 0 418.868 4.562 50 0 HJAARN CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)nc2ccccc2c1=O ZINC000012776642 568955237 /nfs/dbraw/zinc/95/52/37/568955237.db2.gz PUVAAZRGGJKZSB-GFCCVEGCSA-N 0 0 421.444 4.555 50 0 HJAARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)NCCSCc1cccs1 ZINC000012779628 568956688 /nfs/dbraw/zinc/95/66/88/568956688.db2.gz ZMMZQTWENPODIN-UHFFFAOYSA-N 0 0 422.572 4.894 50 0 HJAARN CCc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 ZINC000012780385 568957442 /nfs/dbraw/zinc/95/74/42/568957442.db2.gz KGOGHFTYNHQZEU-LJQANCHMSA-N 0 0 416.521 4.902 50 0 HJAARN Cn1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000012781363 568957851 /nfs/dbraw/zinc/95/78/51/568957851.db2.gz YEYDWDXFHSNEDE-UHFFFAOYSA-N 0 0 418.280 4.808 50 0 HJAARN CSc1ncccc1C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C(C)C ZINC000012783839 568958779 /nfs/dbraw/zinc/95/87/79/568958779.db2.gz ZHVAQHVJAPZUAD-UHFFFAOYSA-N 0 0 402.907 4.558 50 0 HJAARN O=C(/C=C/c1ccccc1Cl)N1CCS[C@@H](c2ccc3c(c2)OCO3)CC1 ZINC000219172481 568959912 /nfs/dbraw/zinc/95/99/12/568959912.db2.gz OZRSVBQNBXFNGF-CPSHHHPTSA-N 0 0 401.915 4.789 50 0 HJAARN COC(=O)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 ZINC000004306405 568960485 /nfs/dbraw/zinc/96/04/85/568960485.db2.gz PTNBXHSCYUAXFG-GHTZIAJQSA-N 0 0 408.841 4.962 50 0 HJAARN CCOc1ccc(-c2noc(CCC(=O)Nc3cc(C)cc(C)c3)n2)cc1OCC ZINC000015670038 568961183 /nfs/dbraw/zinc/96/11/83/568961183.db2.gz IUCRJSLMYAFWMH-UHFFFAOYSA-N 0 0 409.486 4.722 50 0 HJAARN O=C(Cn1cc(C(=O)c2ccccc2)c(=O)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000004316040 568961987 /nfs/dbraw/zinc/96/19/87/568961987.db2.gz KHLRMLRLWXHYRE-UHFFFAOYSA-N 0 0 416.864 4.525 50 0 HJAARN COc1ccc(-c2csc(NC(=O)Cc3ccc(Br)cc3)n2)cc1 ZINC000007983355 568963971 /nfs/dbraw/zinc/96/39/71/568963971.db2.gz NIQCQHDAFCHXPU-UHFFFAOYSA-N 0 0 403.301 4.762 50 0 HJAARN CCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc2c(cccc2F)s1 ZINC000007981669 568963737 /nfs/dbraw/zinc/96/37/37/568963737.db2.gz VEYOTLLEBVNJQD-UHFFFAOYSA-N 0 0 409.486 4.719 50 0 HJAARN CN(c1ccc(OCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000007985494 568964316 /nfs/dbraw/zinc/96/43/16/568964316.db2.gz LOKOUJDPKOKQON-UHFFFAOYSA-N 0 0 405.878 4.883 50 0 HJAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000007987867 568965382 /nfs/dbraw/zinc/96/53/82/568965382.db2.gz VZKWBPDNYZYMIQ-OAHLLOKOSA-N 0 0 417.490 4.544 50 0 HJAARN CCOc1ccccc1Nc1nnc(SCC(=O)Nc2ccccc2C)s1 ZINC000007988256 568965836 /nfs/dbraw/zinc/96/58/36/568965836.db2.gz GEWCUOYEHLRRDZ-UHFFFAOYSA-N 0 0 400.529 4.720 50 0 HJAARN 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569022941 /nfs/dbraw/zinc/02/29/41/569022941.db2.gz LKJKUGNRRLYHGL-UHFFFAOYSA-N 0 0 403.478 4.876 50 0 HJAARN CN(C(=O)c1ccccc1C(=O)OCCOc1cccc(Cl)c1)c1ccccc1 ZINC000012920350 569022986 /nfs/dbraw/zinc/02/29/86/569022986.db2.gz JFNTZAGUSMQWLA-UHFFFAOYSA-N 0 0 409.869 4.852 50 0 HJAARN CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000012922211 569023229 /nfs/dbraw/zinc/02/32/29/569023229.db2.gz ZFJYNZDAHFQXGY-SFHVURJKSA-N 0 0 408.523 4.597 50 0 HJAARN C[C@H](C(=O)Nc1ccc2c(c1)CCC2)n1nc(-c2cccs2)c2ccccc2c1=O ZINC000012925279 569023723 /nfs/dbraw/zinc/02/37/23/569023723.db2.gz XQDDQYRKNPTRQD-OAHLLOKOSA-N 0 0 415.518 4.813 50 0 HJAARN Cc1nc(CSc2ccccc2C(=O)Nc2cccc(Br)c2)no1 ZINC000012927278 569023923 /nfs/dbraw/zinc/02/39/23/569023923.db2.gz MVFICBMMTQEIPY-UHFFFAOYSA-N 0 0 404.289 4.685 50 0 HJAARN Cc1ccc(-c2csc3ncn(Cc4noc(-c5ccc(F)cc5)n4)c(=O)c23)cc1 ZINC000012928274 569024108 /nfs/dbraw/zinc/02/41/08/569024108.db2.gz YJAOPNIANULCOV-UHFFFAOYSA-N 0 0 418.453 4.671 50 0 HJAARN CCOc1c(Br)cc(C(=O)Nc2cccc(Cl)c2F)cc1OC ZINC000015997293 569025384 /nfs/dbraw/zinc/02/53/84/569025384.db2.gz IFPGNDNFJVAIGG-UHFFFAOYSA-N 0 0 402.647 4.901 50 0 HJAARN COc1ccccc1C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000016002238 569025467 /nfs/dbraw/zinc/02/54/67/569025467.db2.gz JRWLQOHCBKJUPC-DEOSSOPVSA-N 0 0 403.478 4.500 50 0 HJAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cc(Br)ccc1Cl ZINC000012934944 569026240 /nfs/dbraw/zinc/02/62/40/569026240.db2.gz MCSRUVPINCFPGW-LBPRGKRZSA-N 0 0 419.710 4.516 50 0 HJAARN COc1ccc(NC(=O)c2nnc(CN(C)Cc3ccc4ccccc4c3)s2)cc1 ZINC000012949403 569029432 /nfs/dbraw/zinc/02/94/32/569029432.db2.gz JLQXUJCCRFSCBF-UHFFFAOYSA-N 0 0 418.522 4.584 50 0 HJAARN O=C(c1ncoc1-c1cccs1)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000026441279 569031852 /nfs/dbraw/zinc/03/18/52/569031852.db2.gz WMQYYTCPUZCMFH-UHFFFAOYSA-N 0 0 403.507 4.514 50 0 HJAARN O=C(NC[C@H](c1cccs1)n1cccn1)C1c2ccccc2Oc2ccccc21 ZINC000575613635 569032704 /nfs/dbraw/zinc/03/27/04/569032704.db2.gz 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Cc1ccc(C(N)=O)cc1NC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC000063949876 569035263 /nfs/dbraw/zinc/03/52/63/569035263.db2.gz VWRIPEOOVLWJPE-UHFFFAOYSA-N 0 0 415.424 4.807 50 0 HJAARN O=C(CSCc1ccccc1)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 ZINC000575614663 569035987 /nfs/dbraw/zinc/03/59/87/569035987.db2.gz AHBBPAXRDFFPQG-UHFFFAOYSA-N 0 0 420.582 4.650 50 0 HJAARN Cc1ccc(NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc32)c(Cl)c1 ZINC000006272300 569036707 /nfs/dbraw/zinc/03/67/07/569036707.db2.gz GYRNHIKODITUGH-UHFFFAOYSA-N 0 0 403.869 4.659 50 0 HJAARN CCc1ccc(Nc2nc(C(=O)NCc3ccc(OC)cc3)nc3ccccc32)cc1 ZINC000035430024 569036943 /nfs/dbraw/zinc/03/69/43/569036943.db2.gz MFYMCOGAAATEAS-UHFFFAOYSA-N 0 0 412.493 4.874 50 0 HJAARN CCc1ccccc1NC(=O)N1CCC2(CC1)Nc1cc(OC)ccc1-n1cccc12 ZINC000035446916 569037239 /nfs/dbraw/zinc/03/72/39/569037239.db2.gz UUKOQXINOKSCKQ-UHFFFAOYSA-N 0 0 416.525 4.997 50 0 biogenic HJAARN O=C(Nc1cccc(C(=O)N2CCc3ccccc3C2)c1)c1nsc2ccccc21 ZINC000035447619 569037433 /nfs/dbraw/zinc/03/74/33/569037433.db2.gz OSQXOQMTHQWDAS-UHFFFAOYSA-N 0 0 413.502 4.747 50 0 HJAARN O=C(NC(c1ccccc1)c1ccccc1)c1ccc(I)cc1 ZINC000006289087 569037634 /nfs/dbraw/zinc/03/76/34/569037634.db2.gz SNIZUASAYJYFIN-UHFFFAOYSA-N 0 0 413.258 4.811 50 0 HJAARN Cc1ccc(C)c(Sc2ccc(NC(=O)COc3ccc(C(N)=O)cc3)cc2)c1 ZINC000006290341 569037680 /nfs/dbraw/zinc/03/76/80/569037680.db2.gz UHMOKJBEUKNXRD-UHFFFAOYSA-N 0 0 406.507 4.571 50 0 HJAARN Cc1nc(-c2ccc(S(=O)(=O)N[C@@H](C)Cc3csc4ccccc34)cc2)co1 ZINC000575621811 569038975 /nfs/dbraw/zinc/03/89/75/569038975.db2.gz UYWVLEQKXXTHKI-AWEZNQCLSA-N 0 0 412.536 4.774 50 0 HJAARN CCc1ccc(Nc2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)s2)cc1 ZINC000006319638 569040731 /nfs/dbraw/zinc/04/07/31/569040731.db2.gz TURKBRCGNBMDPV-UHFFFAOYSA-N 0 0 412.540 4.778 50 0 HJAARN CCCn1c(=O)oc2cc(NC(=O)c3c(C)onc3-c3ccccc3Cl)ccc21 ZINC000035506296 569040924 /nfs/dbraw/zinc/04/09/24/569040924.db2.gz JTBLXOIDFVQNPI-UHFFFAOYSA-N 0 0 411.845 4.874 50 0 HJAARN COc1ccc(OC)c(C(=O)NCc2sc(-c3ccccc3Cl)nc2C)c1 ZINC000090593139 569041545 /nfs/dbraw/zinc/04/15/45/569041545.db2.gz GFDIPHUHEXXNDH-UHFFFAOYSA-N 0 0 402.903 4.719 50 0 HJAARN Cn1nc(-c2ccccc2F)c2cc(C(=O)OCc3ccc4c(c3)OCO4)sc21 ZINC000035509851 569041780 /nfs/dbraw/zinc/04/17/80/569041780.db2.gz ANBZHBMGXQAOFW-UHFFFAOYSA-N 0 0 410.426 4.527 50 0 HJAARN CC[C@@H](C)c1ccccc1NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 ZINC000012979189 569042631 /nfs/dbraw/zinc/04/26/31/569042631.db2.gz LCGKRNKHKZEMPJ-OAHLLOKOSA-N 0 0 409.555 4.879 50 0 HJAARN O=C(NCC(O)(c1cccs1)c1cccs1)Nc1ccccc1C(F)(F)F ZINC000090617778 569042939 /nfs/dbraw/zinc/04/29/39/569042939.db2.gz RRJBLIVNKQAMPY-UHFFFAOYSA-N 0 0 412.458 4.886 50 0 HJAARN Brc1cn2c(cn1)nc(-c1ccccc1)c2Nc1ccc2c(c1)OCCO2 ZINC000035511594 569043119 /nfs/dbraw/zinc/04/31/19/569043119.db2.gz VIIHZLLWOHNPMM-UHFFFAOYSA-N 0 0 423.270 4.674 50 0 HJAARN CCCOc1c2cc(NC(=O)NCCc3ccccc3)ccc2sc1C(=O)OC ZINC000035513032 569043236 /nfs/dbraw/zinc/04/32/36/569043236.db2.gz JGGLEDZIVDMCOG-UHFFFAOYSA-N 0 0 412.511 4.841 50 0 HJAARN COc1ccc(OC)c(NC(=O)c2c(C)onc2-c2cccc(Br)c2)c1 ZINC000035536400 569043559 /nfs/dbraw/zinc/04/35/59/569043559.db2.gz BJDCSERELYBZPA-UHFFFAOYSA-N 0 0 417.259 4.682 50 0 HJAARN COc1ccc(-c2csc(NC(=O)CCCOc3ccc(C(C)=O)cc3)n2)cc1 ZINC000006341582 569043709 /nfs/dbraw/zinc/04/37/09/569043709.db2.gz UWHANUSGIGQZML-UHFFFAOYSA-N 0 0 410.495 4.819 50 0 HJAARN O=C1C[C@H](Nc2ccc(OCc3ccccc3)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000006346259 569044546 /nfs/dbraw/zinc/04/45/46/569044546.db2.gz KUSMERDOQFVKLU-NRFANRHFSA-N 0 0 406.869 4.663 50 0 HJAARN C[C@H](CCc1ccccc1)NC(=O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000035561890 569045045 /nfs/dbraw/zinc/04/50/45/569045045.db2.gz JCKJILPCUXWXRH-LJQANCHMSA-N 0 0 417.553 4.548 50 0 HJAARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(OC)c(OC)c(OC)c2)N3)C1 ZINC000006358113 569045256 /nfs/dbraw/zinc/04/52/56/569045256.db2.gz NEQDRWYRWLPCSQ-WYRIXSBYSA-N 0 0 402.516 4.718 50 0 HJAARN CC[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)n1-c1ccc(F)cc1)C(=O)OC ZINC000006387927 569046392 /nfs/dbraw/zinc/04/63/92/569046392.db2.gz PQRHSZWQVCTIMF-GOSISDBHSA-N 0 0 410.474 4.598 50 0 HJAARN CSc1nnc(CCCNC(=O)/C=C/c2ccc([C@@H]3C[C@H]3C)o2)n1C1CCCC1 ZINC000040012228 569047999 /nfs/dbraw/zinc/04/79/99/569047999.db2.gz RRDBQOZCOQAIDN-RSOUGRPKSA-N 0 0 414.575 4.594 50 0 HJAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)/C=C/c1ccccc1OC(F)F ZINC000040057820 569048045 /nfs/dbraw/zinc/04/80/45/569048045.db2.gz ZFDAQJFLLUTDJZ-ZHACJKMWSA-N 0 0 407.367 4.705 50 0 HJAARN COc1cccc(NC(=O)[C@H](Oc2ccc3c(C)cc(=O)oc3c2)c2ccccc2)c1 ZINC000006421217 569048755 /nfs/dbraw/zinc/04/87/55/569048755.db2.gz HQGKAQAYZOPAPF-XMMPIXPASA-N 0 0 415.445 4.869 50 0 HJAARN COCCCn1c(SCc2nc(C(C)(C)C)no2)nnc1-c1ccccc1Cl ZINC000013009869 569049987 /nfs/dbraw/zinc/04/99/87/569049987.db2.gz ULXWTLAMXSGBKR-UHFFFAOYSA-N 0 0 421.954 4.608 50 0 HJAARN Cc1c(-c2ccc(F)cc2)nn2c1NC(=O)C[C@H]2C(=O)Nc1ccc(F)c(F)c1F ZINC000035685003 569050056 /nfs/dbraw/zinc/05/00/56/569050056.db2.gz UKMBBSQRNAKXAT-AWEZNQCLSA-N 0 0 418.350 4.586 50 0 HJAARN CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000013010716 569050085 /nfs/dbraw/zinc/05/00/85/569050085.db2.gz PPJJDTQKPDSDER-SFHVURJKSA-N 0 0 403.526 4.564 50 0 HJAARN COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccccc5)coc-4c32)cc1 ZINC000524729519 569051627 /nfs/dbraw/zinc/05/16/27/569051627.db2.gz WRCUZIKPPFLTPP-KRWDZBQOSA-N 0 0 414.413 4.615 50 0 biogenic HJAARN COc1cc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)cc(OC)c1OC ZINC000001774302 569052497 /nfs/dbraw/zinc/05/24/97/569052497.db2.gz LFLYZPFJXSAVKZ-UHFFFAOYSA-N 0 0 418.902 4.665 50 0 HJAARN CCOc1ccc2nc(Cl)c([C@@H]3CC(c4ccccc4OC)=NN3C(C)=O)cc2c1 ZINC000089269827 569053892 /nfs/dbraw/zinc/05/38/92/569053892.db2.gz MCDGZZXYBCHDNY-NRFANRHFSA-N 0 0 423.900 4.993 50 0 HJAARN COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@H]2c2cccn2C)cc1Cl ZINC000240278285 569054528 /nfs/dbraw/zinc/05/45/28/569054528.db2.gz DQANOALZNZNFCP-JTHBVZDNSA-N 0 0 423.944 5.204 50 0 HJAARN C[C@@H]1CC[C@H](C)N(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccccc2)N3)C1 ZINC000245240759 569055335 /nfs/dbraw/zinc/05/53/35/569055335.db2.gz SJUIOMIHNPPKAB-OAOQPFQOSA-N 0 0 406.452 4.804 50 0 HJAARN CCc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(C)cc4)[C@H]3C2=O)cc1 ZINC000245309992 569055706 /nfs/dbraw/zinc/05/57/06/569055706.db2.gz GRYBUPGQWXZFDB-TZRRMPRUSA-N 0 0 412.489 4.609 50 0 HJAARN Cc1c(Cl)cccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C1=O ZINC000245312311 569055747 /nfs/dbraw/zinc/05/57/47/569055747.db2.gz TXMYRMUHOJDGJQ-BHIFYINESA-N 0 0 418.880 4.700 50 0 HJAARN Cc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)NCc1ccccc1 ZINC000006462346 569057453 /nfs/dbraw/zinc/05/74/53/569057453.db2.gz CXXOHPLLSLEGFJ-UHFFFAOYSA-N 0 0 408.885 4.596 50 0 HJAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)c1 ZINC000006471483 569058069 /nfs/dbraw/zinc/05/80/69/569058069.db2.gz WUFXKOVQZSXUJW-GOSISDBHSA-N 0 0 408.523 4.595 50 0 HJAARN CCCCCCC(=O)N(Cc1ccco1)Cc1ccc(OS(=O)(=O)CC)cc1 ZINC000035769896 569058286 /nfs/dbraw/zinc/05/82/86/569058286.db2.gz JUCUOIVGTXPXMQ-UHFFFAOYSA-N 0 0 407.532 4.507 50 0 HJAARN C[C@H](Sc1ccccc1)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000089368722 569058697 /nfs/dbraw/zinc/05/86/97/569058697.db2.gz HZMDTGWOIYZDRO-XNHLSEOASA-N 0 0 404.576 4.556 50 0 HJAARN CCOCCOc1nc(-c2ccccc2C)n(-c2ccc(NC(=O)CC(C)C)cc2)n1 ZINC000035806536 569060774 /nfs/dbraw/zinc/06/07/74/569060774.db2.gz WRWRNAORFSYGPH-UHFFFAOYSA-N 0 0 422.529 4.643 50 0 HJAARN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)Cc1ccc2c(c1)OCCO2 ZINC000006509631 569062023 /nfs/dbraw/zinc/06/20/23/569062023.db2.gz GWHRXXVAEJAWRU-SFHVURJKSA-N 0 0 402.494 4.584 50 0 HJAARN Cc1ccc(Cc2nc3nc4c(c(NCc5ccc(F)cc5)n3n2)CCCC4)cc1 ZINC000064449946 569062691 /nfs/dbraw/zinc/06/26/91/569062691.db2.gz PTKUUGZQWDOANO-UHFFFAOYSA-N 0 0 401.489 4.654 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)N1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000064450055 569062704 /nfs/dbraw/zinc/06/27/04/569062704.db2.gz XCTJWWMESATJGZ-UHFFFAOYSA-N 0 0 419.916 4.803 50 0 HJAARN CCCOc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2cccc(C)c2C)cc1 ZINC000064450219 569062834 /nfs/dbraw/zinc/06/28/34/569062834.db2.gz PJDNQSILFJQZBB-FQEVSTJZSA-N 0 0 417.509 4.895 50 0 HJAARN CCOc1ccc(NC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3)C2)cc1 ZINC000064452422 569062941 /nfs/dbraw/zinc/06/29/41/569062941.db2.gz YBMBDNJZNAQRNI-SFHVURJKSA-N 0 0 418.497 4.523 50 0 HJAARN CCCCc1nc2sc3c(c2c(N2CCN(C(=O)CC(C)C)CC2)n1)CCCC3 ZINC000035865040 569063231 /nfs/dbraw/zinc/06/32/31/569063231.db2.gz ULTZCFOURFYQCP-UHFFFAOYSA-N 0 0 414.619 4.607 50 0 HJAARN Cc1cccc(NC(=O)N2CCCN(c3nc4cc(F)ccc4n4cccc34)CC2)c1 ZINC000064473150 569063699 /nfs/dbraw/zinc/06/36/99/569063699.db2.gz RMIPIGLJERVZIR-UHFFFAOYSA-N 0 0 417.488 4.679 50 0 HJAARN CC(C)CC(=O)Nc1ccc(C(=O)CSc2nnc(Cc3ccccc3)o2)cc1 ZINC000006543959 569064989 /nfs/dbraw/zinc/06/49/89/569064989.db2.gz LJXGBAAOZPULTN-UHFFFAOYSA-N 0 0 409.511 4.620 50 0 HJAARN O=C(CSc1nnc(Cc2ccccc2)o1)NC(c1ccccc1)c1ccccc1 ZINC000006544156 569065042 /nfs/dbraw/zinc/06/50/42/569065042.db2.gz XUUPNHHOQNQMNU-UHFFFAOYSA-N 0 0 415.518 4.658 50 0 HJAARN COc1ccc(OC)c(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)c1 ZINC000007971483 569066001 /nfs/dbraw/zinc/06/60/01/569066001.db2.gz JZURVYOYBHENPZ-UHFFFAOYSA-N 0 0 405.479 4.870 50 0 HJAARN O=C(Nc1nnc(SCCc2ccccc2)s1)c1ccccc1Br ZINC000035924478 569066159 /nfs/dbraw/zinc/06/61/59/569066159.db2.gz VOABYBONCPOYME-UHFFFAOYSA-N 0 0 420.357 4.888 50 0 HJAARN C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000006571130 569066651 /nfs/dbraw/zinc/06/66/51/569066651.db2.gz LPAMWOMFYWGENP-NVXWUHKLSA-N 0 0 412.584 4.783 50 0 HJAARN COc1cc(C(=O)NCc2ccco2)cc(Br)c1OCc1ccccc1 ZINC000006580619 569066918 /nfs/dbraw/zinc/06/69/18/569066918.db2.gz QPNVKSSKGCQQPQ-UHFFFAOYSA-N 0 0 416.271 4.560 50 0 HJAARN CSCC[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)c1nc2ccccc2[nH]1 ZINC000006578986 569066966 /nfs/dbraw/zinc/06/69/66/569066966.db2.gz WAEYWHRYYLYFOM-OAQYLSRUSA-N 0 0 406.555 4.978 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)N1CCc2c(c(COc3ccccc3)nn2C)C1 ZINC000064565950 569067151 /nfs/dbraw/zinc/06/71/51/569067151.db2.gz JLHPYTXNLSORBQ-UHFFFAOYSA-N 0 0 410.905 4.551 50 0 HJAARN Cc1nc(SCC(=O)Nc2ccc3c(c2)OCCCO3)n(C2CCCCC2)c1C ZINC000006589004 569068182 /nfs/dbraw/zinc/06/81/82/569068182.db2.gz JAGIFQGPFKMHBE-UHFFFAOYSA-N 0 0 415.559 4.897 50 0 HJAARN O=C(CCc1c[nH]c2ccccc12)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000006589035 569068210 /nfs/dbraw/zinc/06/82/10/569068210.db2.gz HGFAAYQJXQJTPD-UHFFFAOYSA-N 0 0 420.900 4.995 50 0 HJAARN COc1ccc(CN(C)CC(=O)Nc2ccccc2Oc2ccccc2)c(OC)c1 ZINC000006589039 569068216 /nfs/dbraw/zinc/06/82/16/569068216.db2.gz VNRKETHAAWIXIE-UHFFFAOYSA-N 0 0 406.482 4.567 50 0 HJAARN CCCCN1CN(CCc2ccc(OCC)c(OCC)c2)Cn2c3ccccc3nc21 ZINC000006590326 569068325 /nfs/dbraw/zinc/06/83/25/569068325.db2.gz HIROLCKGYBBABW-UHFFFAOYSA-N 0 0 422.573 4.914 50 0 HJAARN O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cc(Cl)nc2ccccc21 ZINC000006589860 569068370 /nfs/dbraw/zinc/06/83/70/569068370.db2.gz XJQVQLNPRAPOSY-UHFFFAOYSA-N 0 0 409.854 4.993 50 0 HJAARN CC[C@@H](C)N(Cc1c(-c2ccccc2)nn(C)c1N(C)C)C(=O)c1cccc(F)c1 ZINC000035970120 569069393 /nfs/dbraw/zinc/06/93/93/569069393.db2.gz MQJKRRNDOPQNDD-QGZVFWFLSA-N 0 0 408.521 4.733 50 0 HJAARN CCNC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C1CC1 ZINC000035973119 569069626 /nfs/dbraw/zinc/06/96/26/569069626.db2.gz KUZXSJKLRBFBDV-UHFFFAOYSA-N 0 0 420.513 4.676 50 0 HJAARN CCc1nc2sc([C@H](c3ccc(Cl)cc3)[NH+]3C[C@H](C)C[C@@H](C)C3)c([O-])n2n1 ZINC000016690103 569070575 /nfs/dbraw/zinc/07/05/75/569070575.db2.gz JXOOTDTXDUCOPV-XNJGSVPQSA-N 0 0 404.967 4.780 50 0 HJAARN COc1ccccc1-c1c(C)oc2c(ccc3c2CN(Cc2ccccn2)CO3)c1=O ZINC000054313346 569070755 /nfs/dbraw/zinc/07/07/55/569070755.db2.gz XETCMYYYXZKYQA-UHFFFAOYSA-N 0 0 414.461 4.524 50 0 HJAARN O=c1c2ccc3c(c2occ1-c1ccc(Cl)cc1)CN(Cc1cccnc1)CO3 ZINC000054313325 569070760 /nfs/dbraw/zinc/07/07/60/569070760.db2.gz YLGJYBNBENDRQY-UHFFFAOYSA-N 0 0 404.853 4.861 50 0 HJAARN COc1ccc(CNc2nc(-c3ccc(C)cc3)nn2C(=O)c2cccs2)cc1 ZINC000004808804 569071558 /nfs/dbraw/zinc/07/15/58/569071558.db2.gz WWIVTEWUPNHCSU-UHFFFAOYSA-N 0 0 404.495 4.624 50 0 HJAARN CCCn1c(C)cc(C(=O)CSc2nnc(NCc3ccccc3)s2)c1C ZINC000006610399 569074182 /nfs/dbraw/zinc/07/41/82/569074182.db2.gz RFWSMGYPBKSUGF-UHFFFAOYSA-N 0 0 400.573 4.954 50 0 HJAARN O=C(COC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(C2CCCCC2)cc1 ZINC000006610790 569074217 /nfs/dbraw/zinc/07/42/17/569074217.db2.gz SLIVOQUHTYTWSL-UHFFFAOYSA-N 0 0 419.521 4.896 50 0 HJAARN O=C(COC(=O)c1ccccc1F)N1c2ccccc2SC[C@H]1c1ccccc1 ZINC000006610766 569074239 /nfs/dbraw/zinc/07/42/39/569074239.db2.gz FDQCWRDFLKDCDS-FQEVSTJZSA-N 0 0 407.466 4.863 50 0 HJAARN CCCc1nc(-c2ccccc2)oc1CC(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000064612503 569074484 /nfs/dbraw/zinc/07/44/84/569074484.db2.gz BBRVBHQOBKXUKM-UHFFFAOYSA-N 0 0 423.944 4.839 50 0 HJAARN COc1ccc(-c2cc(CN(Cc3ccccc3)C(=O)CC(C)C)no2)c(OC)c1 ZINC000036001808 569075228 /nfs/dbraw/zinc/07/52/28/569075228.db2.gz GNECSRKUGVBEOI-UHFFFAOYSA-N 0 0 408.498 4.934 50 0 HJAARN COc1ccc(NC(=O)Cc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)c(OC)c1 ZINC000006623872 569075370 /nfs/dbraw/zinc/07/53/70/569075370.db2.gz BKVOGXZVPLKZMP-UHFFFAOYSA-N 0 0 421.449 4.663 50 0 biogenic HJAARN CC(=O)c1ccc(NC(=O)Cc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc1 ZINC000006623882 569075387 /nfs/dbraw/zinc/07/53/87/569075387.db2.gz UYSIAGZQBLOIIL-UHFFFAOYSA-N 0 0 403.434 4.848 50 0 biogenic HJAARN Cc1oc2cc3oc(=O)c(CCC(=O)NCCc4ccsc4)c(C)c3cc2c1C ZINC000006624066 569075411 /nfs/dbraw/zinc/07/54/11/569075411.db2.gz VJPKVNXKPMQSDA-UHFFFAOYSA-N 0 0 409.507 4.817 50 0 biogenic HJAARN CC(=O)c1ccc(NC(=O)Cc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)cc1 ZINC000006624306 569075545 /nfs/dbraw/zinc/07/55/45/569075545.db2.gz CQLLVHLOYJVYKH-UHFFFAOYSA-N 0 0 403.434 4.848 50 0 biogenic HJAARN COc1ccc(OC)c(-c2cc(CN(C(=O)c3ccc(Cl)cc3)C3CC3)no2)c1 ZINC000036011896 569075753 /nfs/dbraw/zinc/07/57/53/569075753.db2.gz AANDMSDPRLFAEG-UHFFFAOYSA-N 0 0 412.873 4.817 50 0 HJAARN COc1cc(-c2cc(CN(CC(C)C)C(=O)C3CCCC3)no2)cc(OC)c1OC ZINC000036012417 569075816 /nfs/dbraw/zinc/07/58/16/569075816.db2.gz UTIHEVVSHQHHAJ-UHFFFAOYSA-N 0 0 416.518 4.542 50 0 HJAARN COc1ccc(OC)c(-c2csc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)n2)c1 ZINC000006628318 569076144 /nfs/dbraw/zinc/07/61/44/569076144.db2.gz YNTUROSLTUIKCE-GFCCVEGCSA-N 0 0 418.902 4.887 50 0 HJAARN Cc1ccccc1C1=NO[C@H](CN(Cc2ccccc2)C(=O)c2ccccc2F)C1 ZINC000036013718 569076342 /nfs/dbraw/zinc/07/63/42/569076342.db2.gz CUTCIOFRKUWEMV-FQEVSTJZSA-N 0 0 402.469 4.970 50 0 HJAARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2ccc(F)cc2F)cc1 ZINC000064656755 569076879 /nfs/dbraw/zinc/07/68/79/569076879.db2.gz FGWRHWRGVRAHOK-OAHLLOKOSA-N 0 0 419.474 4.642 50 0 HJAARN O=C(Cn1c(-c2cccs2)cc2ccccc21)N1CCN(Cc2ccccc2)CC1 ZINC000064657472 569077240 /nfs/dbraw/zinc/07/72/40/569077240.db2.gz MKVHKSDQJXSPCL-UHFFFAOYSA-N 0 0 415.562 4.714 50 0 HJAARN O=C(C[C@H]1COc2ccccc2N1Cc1ccccc1)NCc1ccc(Cl)cc1 ZINC000064663340 569078047 /nfs/dbraw/zinc/07/80/47/569078047.db2.gz NEJQLAZTNSGMJQ-NRFANRHFSA-N 0 0 406.913 4.814 50 0 HJAARN CCCCNC(=O)CC1CCN(C(=O)c2sc(-c3ccc(C)cc3)nc2C)CC1 ZINC000064667945 569078577 /nfs/dbraw/zinc/07/85/77/569078577.db2.gz POSQURBQSGIAMS-UHFFFAOYSA-N 0 0 413.587 4.586 50 0 HJAARN Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccccc2N2CCCC2)cc1 ZINC000006647145 569079393 /nfs/dbraw/zinc/07/93/93/569079393.db2.gz ILXNPWCSJVQSAT-UHFFFAOYSA-N 0 0 405.498 4.652 50 0 HJAARN Cc1ccc(CN2c3ccc(C)cc3OC[C@@H]2CC(=O)NCc2ccccc2)cc1 ZINC000064663588 569079717 /nfs/dbraw/zinc/07/97/17/569079717.db2.gz AFNWJAYOPMQYOW-QHCPKHFHSA-N 0 0 400.522 4.778 50 0 HJAARN Nc1c(-c2nc(-c3ccccc3Br)cs2)nnn1-c1ccc(F)cc1 ZINC000064664305 569079812 /nfs/dbraw/zinc/07/98/12/569079812.db2.gz VNRRDTGHJZCTPI-UHFFFAOYSA-N 0 0 416.279 4.542 50 0 HJAARN Cc1ccc(-c2csc(-c3cccn3CC(=O)NCCc3ccccc3)n2)cc1 ZINC000064677213 569080659 /nfs/dbraw/zinc/08/06/59/569080659.db2.gz 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C[C@H]1CCCN(CC(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(Cl)cc2)C1 ZINC000006670413 569086740 /nfs/dbraw/zinc/08/67/40/569086740.db2.gz OIHFFRCFKVWSAP-HNNXBMFYSA-N 0 0 410.901 4.784 50 0 HJAARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(C(=O)c2ccc(F)cc2)C(C)C)o1 ZINC000006670555 569086780 /nfs/dbraw/zinc/08/67/80/569086780.db2.gz NPGKIEGITBPJFO-UHFFFAOYSA-N 0 0 422.500 4.807 50 0 HJAARN O=C(c1ccc(F)cc1)N1CCC[C@@H]1c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000064747143 569088610 /nfs/dbraw/zinc/08/86/10/569088610.db2.gz CCSASGJVXCYTBZ-MRXNPFEDSA-N 0 0 405.351 4.872 50 0 HJAARN COc1ccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccc(F)cc3F)no2)cc1F ZINC000064747762 569089040 /nfs/dbraw/zinc/08/90/40/569089040.db2.gz ONYNNZNTUWYQFB-MRXNPFEDSA-N 0 0 418.375 4.532 50 0 HJAARN Cc1ccc(Cn2ccnc2CN(Cc2ccco2)C(=O)c2cccc(F)c2)cc1 ZINC000006688945 569089521 /nfs/dbraw/zinc/08/95/21/569089521.db2.gz JMMBQKGSZIJSNE-UHFFFAOYSA-N 0 0 403.457 4.815 50 0 HJAARN CCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC(c2ccc(C)cc2)=NO1 ZINC000006694996 569091527 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C[C@@H](SC(F)(F)F)C(=O)Nc1ccc(Br)cc1Br ZINC000036392299 569167387 /nfs/dbraw/zinc/16/73/87/569167387.db2.gz FZHJFAVGZOLRTF-RXMQYKEDSA-N 0 0 407.049 4.792 50 0 HJAARN CCn1c(SCc2nnc(-c3cc4c(s3)CCCC4)o2)nnc1-c1ccco1 ZINC000006880885 569167718 /nfs/dbraw/zinc/16/77/18/569167718.db2.gz YWEDTARKXQQDCJ-UHFFFAOYSA-N 0 0 413.528 4.841 50 0 HJAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000006881931 569168164 /nfs/dbraw/zinc/16/81/64/569168164.db2.gz RGFWZUBRSZMCSL-NSHDSACASA-N 0 0 414.720 4.544 50 0 HJAARN Cc1cccc(CN2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccccc2C)c1 ZINC000065075071 569169330 /nfs/dbraw/zinc/16/93/30/569169330.db2.gz BQNDPQIRAXXCGH-HHHXNRCGSA-N 0 0 412.533 4.577 50 0 HJAARN COc1cccc(-c2nc(C3CCN(C(=O)c4cc(F)ccc4Cl)CC3)no2)c1 ZINC000065076860 569169910 /nfs/dbraw/zinc/16/99/10/569169910.db2.gz WBSSUKAXKAAUKD-UHFFFAOYSA-N 0 0 415.852 4.558 50 0 HJAARN CCc1ccccc1NC(=O)Cc1csc2nc(-c3ccc(OC)c(OC)c3)cn12 ZINC000065079450 569171045 /nfs/dbraw/zinc/17/10/45/569171045.db2.gz 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/nfs/dbraw/zinc/20/62/84/569206284.db2.gz JHACOLQYJLXCIQ-UHFFFAOYSA-N 0 0 403.442 4.626 50 0 HJAARN CC(C)(C)c1noc(-c2cccnc2-n2cnc(C(=O)Nc3cccc(Cl)c3)c2)n1 ZINC000065250813 569206414 /nfs/dbraw/zinc/20/64/14/569206414.db2.gz XPGDFEBCQKZCOL-UHFFFAOYSA-N 0 0 422.876 4.521 50 0 HJAARN Cc1nn(Cc2ccccc2)c2nc(C)cc(C(=O)NCc3ccccc3Cl)c12 ZINC000036615851 569207150 /nfs/dbraw/zinc/20/71/50/569207150.db2.gz JRAMDBDXAADFNC-UHFFFAOYSA-N 0 0 404.901 4.680 50 0 HJAARN Cc1nn(-c2ccc(NC(=O)c3cc(C4CC4)nc4c3cnn4C)cc2)c(C)c1Cl ZINC000036616331 569207352 /nfs/dbraw/zinc/20/73/52/569207352.db2.gz SHAWLUYDABGFIH-UHFFFAOYSA-N 0 0 420.904 4.554 50 0 HJAARN COc1cccc(-c2cc(C(=O)Nc3cccc(Cl)c3)c3c(C)nn(C)c3n2)c1 ZINC000036616474 569207482 /nfs/dbraw/zinc/20/74/82/569207482.db2.gz YRLGPLDPPREUCH-UHFFFAOYSA-N 0 0 406.873 4.858 50 0 HJAARN COc1cccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)c3c(C)nn(C)c3n2)c1 ZINC000036616433 569207542 /nfs/dbraw/zinc/20/75/42/569207542.db2.gz WTQXJVPFQDLJTF-UHFFFAOYSA-N 0 0 406.873 4.858 50 0 HJAARN CCc1ccccc1NC(=O)c1cc(-c2cccc(OC)c2)nc2c1c(C)nn2C ZINC000036617028 569207886 /nfs/dbraw/zinc/20/78/86/569207886.db2.gz NATYEWZHKMSUNY-UHFFFAOYSA-N 0 0 400.482 4.767 50 0 HJAARN CN1c2ccc(NC(=O)c3ccc(Cl)s3)cc2Sc2ncccc2C1=O ZINC000065258356 569210195 /nfs/dbraw/zinc/21/01/95/569210195.db2.gz CTOYKVXUZIDXCN-UHFFFAOYSA-N 0 0 401.900 4.790 50 0 HJAARN CC(C)Oc1ccc(CNc2nnc(-c3nc(C4CC4)no3)c3ccccc32)cc1 ZINC000065258316 569210232 /nfs/dbraw/zinc/21/02/32/569210232.db2.gz QHEDLEOPBATLFW-UHFFFAOYSA-N 0 0 401.470 4.957 50 0 HJAARN CCc1cc(C(=O)NCCc2ccccc2)c2c(C3CC3)nn(-c3ccccc3)c2n1 ZINC000036621605 569211999 /nfs/dbraw/zinc/21/19/99/569211999.db2.gz WLUCZCMKHKIGHF-UHFFFAOYSA-N 0 0 410.521 4.833 50 0 HJAARN CC(C)CNc1nnc(SCC(=O)Nc2ccc(N3CCCCCC3)cc2)s1 ZINC000007051244 569213437 /nfs/dbraw/zinc/21/34/37/569213437.db2.gz KPVGSVRUKTZMKG-UHFFFAOYSA-N 0 0 419.620 4.717 50 0 HJAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccc(Cl)c(C(F)(F)F)c1 ZINC000036652343 569216652 /nfs/dbraw/zinc/21/66/52/569216652.db2.gz 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ZINC000065315053 569223450 /nfs/dbraw/zinc/22/34/50/569223450.db2.gz AIHVEWSEIMALIF-UHFFFAOYSA-N 0 0 406.507 4.751 50 0 HJAARN CCN1c2ccc(C(=O)NC3CCCCCCC3)cc2-c2ccccc2S1(=O)=O ZINC000065315082 569223500 /nfs/dbraw/zinc/22/35/00/569223500.db2.gz GXPLCWSJGNLLPD-UHFFFAOYSA-N 0 0 412.555 4.725 50 0 HJAARN Cc1cccc(-c2noc([C@@H]3CCCN3C(=O)COc3ccc(Cl)cc3C)n2)c1 ZINC000065320451 569223732 /nfs/dbraw/zinc/22/37/32/569223732.db2.gz FJEYRHIFFSQHHV-SFHVURJKSA-N 0 0 411.889 4.749 50 0 HJAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccc(Cl)cc3)no2)cc1C ZINC000065320742 569223801 /nfs/dbraw/zinc/22/38/01/569223801.db2.gz UTEDZWJRPAJHJF-SFHVURJKSA-N 0 0 417.918 4.533 50 0 HJAARN CC(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3cccc(F)c3)no2)cc1 ZINC000065320848 569223977 /nfs/dbraw/zinc/22/39/77/569223977.db2.gz YFDRGZHDYXNFNB-LJQANCHMSA-N 0 0 415.490 4.525 50 0 HJAARN O=C(OCc1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccc(Cl)nc1Cl ZINC000065327439 569224841 /nfs/dbraw/zinc/22/48/41/569224841.db2.gz ZTTLFJAXCGNHEX-UHFFFAOYSA-N 0 0 406.244 4.559 50 0 HJAARN C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc21)C(=O)N(C)Cc1ccccc1 ZINC000007160780 569226730 /nfs/dbraw/zinc/22/67/30/569226730.db2.gz OOTQUUXVROAKHF-CYBMUJFWSA-N 0 0 405.445 4.788 50 0 HJAARN O=C(c1cccc(OC(F)(F)F)c1)N1CCC(Oc2cccc3cccnc32)CC1 ZINC000238915143 569228005 /nfs/dbraw/zinc/22/80/05/569228005.db2.gz SLWMGSCQXOKIGP-UHFFFAOYSA-N 0 0 416.399 4.817 50 0 HJAARN C[C@@H](Sc1nncs1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000007195304 569228213 /nfs/dbraw/zinc/22/82/13/569228213.db2.gz QCGHKFBDMMYAGI-GFCCVEGCSA-N 0 0 412.565 4.858 50 0 HJAARN CCOc1ccc(NC(=O)[C@@H](C)Sc2nnc3cc(C)c4ccccc4n32)cc1 ZINC000007200046 569228404 /nfs/dbraw/zinc/22/84/04/569228404.db2.gz NIOCQTYBMNIPLG-OAHLLOKOSA-N 0 0 406.511 4.709 50 0 HJAARN Cc1cccc2c(=O)[nH]c(CSc3nnc(-c4ccco4)n3C3CCCCC3)nc12 ZINC000007247535 569230345 /nfs/dbraw/zinc/23/03/45/569230345.db2.gz INXBKFUSNGUGBX-UHFFFAOYSA-N 0 0 421.526 4.881 50 0 HJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000036874546 569230779 /nfs/dbraw/zinc/23/07/79/569230779.db2.gz KXZNPMASYURBTA-VBKZILBWSA-N 0 0 402.416 4.847 50 0 HJAARN COc1cc(C)ccc1Oc1ccc(NC(=O)c2ccc3c(c2)nc(C)n3C)cn1 ZINC000065476767 569231565 /nfs/dbraw/zinc/23/15/65/569231565.db2.gz NIXZDCKWUCNOFQ-UHFFFAOYSA-N 0 0 402.454 4.638 50 0 HJAARN Cc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc4oc(C(C)C)nc4c3)CCC2)cc1 ZINC000065478348 569231594 /nfs/dbraw/zinc/23/15/94/569231594.db2.gz YEXRAVFRSRZRTL-UHFFFAOYSA-N 0 0 412.511 4.595 50 0 HJAARN CSc1ccccc1NC(=O)CN(C)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000007285728 569232014 /nfs/dbraw/zinc/23/20/14/569232014.db2.gz FKYNWVLZWGVIAW-UHFFFAOYSA-N 0 0 416.550 4.794 50 0 HJAARN CCOc1ccccc1NC(=O)C1CCC(C(=O)Nc2ccccc2OCC)CC1 ZINC000007310925 569232713 /nfs/dbraw/zinc/23/27/13/569232713.db2.gz GRBVTXXBEBBRBJ-UHFFFAOYSA-N 0 0 410.514 4.868 50 0 HJAARN O=C1COc2ccc(-c3csc(Nc4cccc(Br)c4)n3)cc2N1 ZINC000007321778 569233480 /nfs/dbraw/zinc/23/34/80/569233480.db2.gz AUGOJBCIFGKWKM-UHFFFAOYSA-N 0 0 402.273 4.647 50 0 HJAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CN1CCC(Cc2ccccc2)CC1 ZINC000007341711 569234547 /nfs/dbraw/zinc/23/45/47/569234547.db2.gz PLGSITZPIFEOMH-UHFFFAOYSA-N 0 0 416.569 4.691 50 0 HJAARN O=C(CN1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccc(N2CCCC2)cc1 ZINC000007360554 569235223 /nfs/dbraw/zinc/23/52/23/569235223.db2.gz OUENHVVCMMFICM-SFHVURJKSA-N 0 0 420.582 4.715 50 0 HJAARN COc1ccc(-c2cc(N[C@@H](C)C(=O)N3CCc4ccccc43)ccc2OC)cc1 ZINC000007363992 569235546 /nfs/dbraw/zinc/23/55/46/569235546.db2.gz KPTSFEOPFZLVAB-KRWDZBQOSA-N 0 0 402.494 4.761 50 0 HJAARN Cc1cc(CNC(=O)c2cc3c(C)nn(-c4cccc(C(F)(F)F)c4)c3s2)on1 ZINC000065578721 569235964 /nfs/dbraw/zinc/23/59/64/569235964.db2.gz OCMHDWJIFCWJTD-UHFFFAOYSA-N 0 0 420.416 4.641 50 0 HJAARN CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cccc(Oc2ccccc2)c1 ZINC000007402372 569236707 /nfs/dbraw/zinc/23/67/07/569236707.db2.gz VXKUKMSADDUSCI-UHFFFAOYSA-N 0 0 418.493 4.978 50 0 HJAARN CC(C)(C)C(=O)NCc1ccc(C(=O)COc2cc(Cl)ccc2Cl)s1 ZINC000007426821 569238412 /nfs/dbraw/zinc/23/84/12/569238412.db2.gz NZXOGCIUELWXNV-UHFFFAOYSA-N 0 0 400.327 4.979 50 0 HJAARN O=C(N[C@@H]1CCCOc2ccc(F)cc21)c1[nH]c2ccccc2c1Br ZINC000170592088 569240975 /nfs/dbraw/zinc/24/09/75/569240975.db2.gz LDJDIZGPYKQKSD-OAHLLOKOSA-N 0 0 403.251 4.713 50 0 HJAARN COc1ccc(-c2nsc(NC(=O)c3cnc(-c4ccccc4)s3)n2)cc1F ZINC000170602764 569243877 /nfs/dbraw/zinc/24/38/77/569243877.db2.gz GOOJCCLLKRUYTH-UHFFFAOYSA-N 0 0 412.471 4.729 50 0 HJAARN CC(C)=C[C@@H]1[C@@H](C(=O)N2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)C1(C)C ZINC000170604456 569243933 /nfs/dbraw/zinc/24/39/33/569243933.db2.gz MCBJBFHNCUKGSL-MOPGFXCFSA-N 0 0 403.954 4.645 50 0 HJAARN Cc1sc2ncn(CC(=O)c3ccc4c(c3)CCC4)c(=O)c2c1-c1ccccc1 ZINC000007537501 569247202 /nfs/dbraw/zinc/24/72/02/569247202.db2.gz HPIZHNPBNUAZJQ-UHFFFAOYSA-N 0 0 400.503 4.805 50 0 HJAARN COc1cc(OC)cc(C2=NN(C(=O)c3cccs3)[C@H](c3ccccc3OC)C2)c1 ZINC000170615657 569247396 /nfs/dbraw/zinc/24/73/96/569247396.db2.gz ZSZHKBQYGXDRQL-FQEVSTJZSA-N 0 0 422.506 4.765 50 0 HJAARN COc1ccccc1C1=NN(C(C)=O)[C@@H](c2cc3cccc(OC)c3nc2Cl)C1 ZINC000170615721 569247401 /nfs/dbraw/zinc/24/74/01/569247401.db2.gz AYUFTUFEIFXFPZ-GOSISDBHSA-N 0 0 409.873 4.603 50 0 HJAARN O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1)[C@@H]1CSCCS1 ZINC000170621713 569248527 /nfs/dbraw/zinc/24/85/27/569248527.db2.gz LGVGESJSTCNQKE-AWEZNQCLSA-N 0 0 400.447 4.680 50 0 HJAARN CCCO[C@@H]1CCCN(C(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)CC1 ZINC000170623153 569249687 /nfs/dbraw/zinc/24/96/87/569249687.db2.gz XXMUJJIHCITIPM-GGAORHGYSA-N 0 0 407.510 4.562 50 0 HJAARN CC(C)c1noc2ncc(C(=O)N3CCC([C@@H](O)c4ccc(Cl)cc4)CC3)cc21 ZINC000170623577 569249779 /nfs/dbraw/zinc/24/97/79/569249779.db2.gz YMUOIHXNQKUXSI-FQEVSTJZSA-N 0 0 413.905 4.585 50 0 HJAARN Cc1nn(C)c(C)c1C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000170626319 569250392 /nfs/dbraw/zinc/25/03/92/569250392.db2.gz UQUYVDCJNQNPMO-GOSISDBHSA-N 0 0 406.917 4.734 50 0 HJAARN CC(=O)N1CCc2cc(NCc3cc4ccccc4nc3N3CCCCC3)ccc21 ZINC000170627038 569250627 /nfs/dbraw/zinc/25/06/27/569250627.db2.gz MMXRTAPGFYVIQC-UHFFFAOYSA-N 0 0 400.526 4.746 50 0 HJAARN CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)N3[C@@H](C)CCC[C@@H]3C)o2)cc1 ZINC000009909523 569251591 /nfs/dbraw/zinc/25/15/91/569251591.db2.gz BODJKDPEMNQPHP-YESZJQIVSA-N 0 0 416.591 4.853 50 0 HJAARN CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2nnc(C)s2)C12CCCCC2 ZINC000071282878 569252665 /nfs/dbraw/zinc/25/26/65/569252665.db2.gz ZPVUNEROJIYEOK-KBXCAEBGSA-N 0 0 412.559 4.526 50 0 HJAARN COc1ccc(C(=O)N2c3ncnn3[C@@H](c3ccccc3)C[C@H]2c2ccc(C)cc2)cc1 ZINC000010059783 569252969 /nfs/dbraw/zinc/25/29/69/569252969.db2.gz YVWBZGLDWIYNMC-BJKOFHAPSA-N 0 0 424.504 4.976 50 0 HJAARN COc1ccccc1[C@H]1C[C@H](c2ccccc2)N(C(=O)c2cccc(C)c2)c2ncnn21 ZINC000010060404 569253161 /nfs/dbraw/zinc/25/31/61/569253161.db2.gz LHPTXKOBYJDALC-DHIUTWEWSA-N 0 0 424.504 4.976 50 0 HJAARN COc1cc(-c2nc3cc(NC(=O)c4ccc(F)cc4)ccc3o2)cc(OC)c1OC ZINC000010120165 569253262 /nfs/dbraw/zinc/25/32/62/569253262.db2.gz AQODZLSAGHYVNS-UHFFFAOYSA-N 0 0 422.412 4.912 50 0 HJAARN COC(=O)c1cc(C)sc1NC(=O)Nc1c(C)nn(Cc2ccccc2C)c1C ZINC000013331486 569255097 /nfs/dbraw/zinc/25/50/97/569255097.db2.gz URUMGPHWOPZXIK-UHFFFAOYSA-N 0 0 412.515 4.657 50 0 HJAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)cc2OC)cc1 ZINC000004590833 569255566 /nfs/dbraw/zinc/25/55/66/569255566.db2.gz WCAAZHVKQLECMC-WIOPSUGQSA-N 0 0 416.477 4.955 50 0 HJAARN O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2)c1ccccc1C(F)(F)F ZINC000013695411 569256965 /nfs/dbraw/zinc/25/69/65/569256965.db2.gz ZPBSQNBSKXHTPQ-UHFFFAOYSA-N 0 0 400.356 4.754 50 0 HJAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(CC(=O)NCc2cccs2)cc1 ZINC000013716613 569257552 /nfs/dbraw/zinc/25/75/52/569257552.db2.gz UCFCKMUZVUDADM-UHFFFAOYSA-N 0 0 414.914 4.521 50 0 HJAARN Cc1cc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c(C)c1 ZINC000014426531 569259982 /nfs/dbraw/zinc/25/99/82/569259982.db2.gz RDBRARBMGXSLSH-UHFFFAOYSA-N 0 0 420.962 4.692 50 0 HJAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)Nc1ccc(Cl)cc1C ZINC000014492844 569260124 /nfs/dbraw/zinc/26/01/24/569260124.db2.gz RKUMHVJOTLVJFU-MRXNPFEDSA-N 0 0 420.962 4.772 50 0 HJAARN COc1ccc(-c2nc(C(=O)N3CCCCCC3)nn2-c2cccc(Cl)c2)cc1 ZINC000014609984 569260761 /nfs/dbraw/zinc/26/07/61/569260761.db2.gz DLWBWWDSYQTWKW-UHFFFAOYSA-N 0 0 410.905 4.613 50 0 HJAARN COc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2ccccc2Cl)cc1 ZINC000014610088 569260891 /nfs/dbraw/zinc/26/08/91/569260891.db2.gz FNBDDADFXRVUJO-UHFFFAOYSA-N 0 0 422.847 4.988 50 0 HJAARN COc1ccc(C2=NN(C(C)=O)[C@@H](c3cc4cc(C)ccc4nc3Cl)C2)c(OC)c1 ZINC000089657557 569261863 /nfs/dbraw/zinc/26/18/63/569261863.db2.gz MYCDWCLXTABIOV-OAQYLSRUSA-N 0 0 423.900 4.911 50 0 HJAARN COc1cccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1OC ZINC000016837467 569263770 /nfs/dbraw/zinc/26/37/70/569263770.db2.gz KWZBCSQYDYSLLI-UHFFFAOYSA-N 0 0 416.477 4.549 50 0 HJAARN C[C@H](Sc1ncc(-c2cccc(Br)c2)o1)C(=O)NCc1ccccc1 ZINC000016843878 569264985 /nfs/dbraw/zinc/26/49/85/569264985.db2.gz CNAXESIMXHYBFR-ZDUSSCGKSA-N 0 0 417.328 4.901 50 0 HJAARN CCc1nc2c(sc3cccc(F)c32)c(=O)n1CC(=O)Nc1ccc(Cl)cc1 ZINC000016843824 569264993 /nfs/dbraw/zinc/26/49/93/569264993.db2.gz IQRKFDKLTCOLIS-UHFFFAOYSA-N 0 0 415.877 4.605 50 0 HJAARN O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000016969511 569269484 /nfs/dbraw/zinc/26/94/84/569269484.db2.gz PNTBULZSIVWSCY-UHFFFAOYSA-N 0 0 401.871 4.545 50 0 HJAARN Cc1oc(-c2ccccc2)nc1Cn1nnc(C(=O)Nc2c(C)cc(C)cc2C)c1C ZINC000016994160 569270729 /nfs/dbraw/zinc/27/07/29/569270729.db2.gz HSWWPWBPDYMZSA-UHFFFAOYSA-N 0 0 415.497 4.776 50 0 HJAARN Cc1nc(C)c(-c2ccc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)nn2)s1 ZINC000016991864 569270761 /nfs/dbraw/zinc/27/07/61/569270761.db2.gz SDBLIUZDBMPXFF-UHFFFAOYSA-N 0 0 424.473 4.967 50 0 HJAARN CCCCCCC(=O)N1CCN(c2cc(Oc3ccc(F)c(F)c3)ncn2)C[C@@H]1C ZINC000037355918 569272020 /nfs/dbraw/zinc/27/20/20/569272020.db2.gz JVKLMQWGEGLYSZ-INIZCTEOSA-N 0 0 418.488 4.555 50 0 HJAARN Cc1ccccc1C(=O)N1CCN(c2cc(Oc3ccc(Cl)cc3)ncn2)C[C@@H]1C ZINC000037355846 569272033 /nfs/dbraw/zinc/27/20/33/569272033.db2.gz PHJHEWLKNNIELN-KRWDZBQOSA-N 0 0 422.916 4.582 50 0 HJAARN Cn1c(=O)c2sc(=S)n(-c3ccccc3)c2nc1SCc1cccc(F)c1 ZINC000017144324 569275534 /nfs/dbraw/zinc/27/55/34/569275534.db2.gz FFYZLBRSCYSJIH-UHFFFAOYSA-N 0 0 415.540 4.947 50 0 HJAARN Cn1c(=O)c2sc(=S)n(-c3ccccc3)c2nc1SCc1ccc(F)cc1 ZINC000017144321 569275553 /nfs/dbraw/zinc/27/55/53/569275553.db2.gz CBZFJHQYPQGFTL-UHFFFAOYSA-N 0 0 415.540 4.947 50 0 HJAARN Cc1cc(C)cc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c1 ZINC000002075806 569277660 /nfs/dbraw/zinc/27/76/60/569277660.db2.gz IBTOSJSWABFMLO-GHTZIAJQSA-N 0 0 412.530 4.741 50 0 HJAARN COc1ccccc1[C@H](NC(=O)c1cnc2onc(C)c2c1)c1ccccc1Cl ZINC000170638661 569280228 /nfs/dbraw/zinc/28/02/28/569280228.db2.gz ASCLWWKSLRQKIR-HXUWFJFHSA-N 0 0 407.857 4.713 50 0 HJAARN O=C(c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1)N1CCC2(CC1)OCCO2 ZINC000170638981 569280340 /nfs/dbraw/zinc/28/03/40/569280340.db2.gz DUUOSBDASZWPOK-UHFFFAOYSA-N 0 0 410.272 4.779 50 0 HJAARN Cc1c(C)c2cc(Cl)c(OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc2oc1=O ZINC000002093964 569280628 /nfs/dbraw/zinc/28/06/28/569280628.db2.gz LYLMAFYSXKLKGU-KRWDZBQOSA-N 0 0 423.893 4.518 50 0 biogenic HJAARN Cc1c(C(=O)COc2cc(C)cc3oc(=O)c4c(c23)CCC4)c2ccccc2n1C ZINC000002094771 569280886 /nfs/dbraw/zinc/28/08/86/569280886.db2.gz WQDXEAKDGDEVCS-UHFFFAOYSA-N 0 0 401.462 4.652 50 0 biogenic HJAARN CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccncc1 ZINC000000907589 569282368 /nfs/dbraw/zinc/28/23/68/569282368.db2.gz KOWNZHSAEDZVPA-UHFFFAOYSA-N 0 0 415.522 4.758 50 0 HJAARN COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1cc2oc3ccccc3c2cc1OC ZINC000002107473 569283231 /nfs/dbraw/zinc/28/32/31/569283231.db2.gz LDSRSSNPXDMHOZ-QFIPXVFZSA-N 0 0 405.406 4.893 50 0 biogenic HJAARN Cc1cccc(-c2nc(N3CCC(C)CC3)nc3nn(Cc4ccccc4)c(N)c32)c1 ZINC000037359868 569283446 /nfs/dbraw/zinc/28/34/46/569283446.db2.gz QEDSTCDDQZNHLQ-UHFFFAOYSA-N 0 0 412.541 4.669 50 0 HJAARN O=c1cc(CNc2ccc3c(c2)OCCO3)c2cc(O)c(-c3ccccc3)cc2o1 ZINC000002114470 569284463 /nfs/dbraw/zinc/28/44/63/569284463.db2.gz CBOBQOUSKYFFES-UHFFFAOYSA-N 0 0 401.418 4.549 50 0 biogenic HJAARN Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(c1cccc(Br)c1)C3 ZINC000002123047 569285865 /nfs/dbraw/zinc/28/58/65/569285865.db2.gz ZCKKYRHDSIQXLC-UHFFFAOYSA-N 0 0 400.272 4.837 50 0 biogenic HJAARN O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)[C@@H]1COc2ccccc2O1 ZINC000007596290 569287677 /nfs/dbraw/zinc/28/76/77/569287677.db2.gz NXPMWAARBGRMBN-FQEVSTJZSA-N 0 0 402.475 4.666 50 0 HJAARN CSc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)c3cccc(F)c3)nc21 ZINC000007599732 569288232 /nfs/dbraw/zinc/28/82/32/569288232.db2.gz GEYFSWNXDRRMOE-HNNXBMFYSA-N 0 0 402.516 4.983 50 0 HJAARN O=C(CCS(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 ZINC000002522098 569288379 /nfs/dbraw/zinc/28/83/79/569288379.db2.gz LUDMXUQSHXSYHC-UHFFFAOYSA-N 0 0 422.127 4.803 50 0 HJAARN O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000002544880 569288446 /nfs/dbraw/zinc/28/84/46/569288446.db2.gz SHUMIIRWFNUOHW-UHFFFAOYSA-N 0 0 417.079 4.649 50 0 HJAARN CC(C)[C@@H](NC(=O)c1cc(-c2cccnc2)n[nH]1)c1nc2ccccc2n1C(C)C ZINC000252479574 569288800 /nfs/dbraw/zinc/28/88/00/569288800.db2.gz BHRVFYRQXXWTBF-OAQYLSRUSA-N 0 0 402.502 4.529 50 0 HJAARN NC1=C(c2nc(-c3ccc(Br)cc3)cs2)C(=O)CN1Cc1ccco1 ZINC000252487676 569289286 /nfs/dbraw/zinc/28/92/86/569289286.db2.gz HZLIEDCKDCDGDW-UHFFFAOYSA-N 0 0 416.300 4.928 50 0 HJAARN CCCc1cc(=O)oc2c(C)c(OC(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)ccc12 ZINC000002149726 569289982 /nfs/dbraw/zinc/28/99/82/569289982.db2.gz XADGCNMPDAJJQZ-QGZVFWFLSA-N 0 0 417.502 4.653 50 0 biogenic HJAARN COc1ccc(NC(=O)Nc2ccc(Nc3cc(OC(C)C)nc(C)n3)cc2)cc1 ZINC000012226043 569291580 /nfs/dbraw/zinc/29/15/80/569291580.db2.gz PJRRMXINHCBTPD-UHFFFAOYSA-N 0 0 407.474 4.968 50 0 HJAARN Cc1ccc(CN2CCN(c3cc(Oc4cc(C)ccc4Cl)ncn3)CC2)cc1 ZINC000037379083 569292051 /nfs/dbraw/zinc/29/20/51/569292051.db2.gz UXTCUTHYUIWDGZ-UHFFFAOYSA-N 0 0 408.933 4.861 50 0 HJAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccccc2Cl)cc1 ZINC000002193721 569293900 /nfs/dbraw/zinc/29/39/00/569293900.db2.gz LPTHRGBRWRVDOW-UHFFFAOYSA-N 0 0 406.869 4.805 50 0 HJAARN Cc1c(C(=O)COc2cc3oc(=O)c4c(c3cc2Cl)CCC4)c2ccccc2n1C ZINC000002201585 569295519 /nfs/dbraw/zinc/29/55/19/569295519.db2.gz YSSXIDDUQVOHSP-UHFFFAOYSA-N 0 0 421.880 4.997 50 0 HJAARN Cc1ccc(C)c(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)c1 ZINC000007616054 569295894 /nfs/dbraw/zinc/29/58/94/569295894.db2.gz WDQSRICYCOUJJM-UHFFFAOYSA-N 0 0 417.896 4.972 50 0 HJAARN Cc1cccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)c1 ZINC000007616050 569295914 /nfs/dbraw/zinc/29/59/14/569295914.db2.gz PTBFJIFCPAXKTG-UHFFFAOYSA-N 0 0 403.869 4.664 50 0 HJAARN C[C@H](CCC(=O)NCCO)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000252607813 569297794 /nfs/dbraw/zinc/29/77/94/569297794.db2.gz HENFUZBSUMHZKR-ZLAJFZNASA-N 0 0 419.650 4.531 50 0 HJAARN Cc1cccc([C@H]2c3cccn3CCN2C(=O)CCC(=O)Nc2ccc(C)c(C)c2)c1 ZINC000037425683 569298521 /nfs/dbraw/zinc/29/85/21/569298521.db2.gz ACQCPHGHTNWEKS-SANMLTNESA-N 0 0 415.537 4.764 50 0 HJAARN O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1csc(-c2ccco2)n1 ZINC000065835505 569298693 /nfs/dbraw/zinc/29/86/93/569298693.db2.gz YRWCGYDPGRPIFV-UHFFFAOYSA-N 0 0 404.373 4.860 50 0 HJAARN CSc1ncccc1C(=O)O[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 ZINC000007657188 569299231 /nfs/dbraw/zinc/29/92/31/569299231.db2.gz SSXWUEIYNWLELR-FQEVSTJZSA-N 0 0 406.507 4.957 50 0 HJAARN CCNC(=O)N(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037442272 569299689 /nfs/dbraw/zinc/29/96/89/569299689.db2.gz PGFSURWIBCSAGA-INIZCTEOSA-N 0 0 424.303 4.857 50 0 HJAARN CCN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1c(C)cc(C)cc1C ZINC000007668434 569299861 /nfs/dbraw/zinc/29/98/61/569299861.db2.gz ULPCJQPTAYQFMB-UHFFFAOYSA-N 0 0 419.934 4.526 50 0 HJAARN C[C@@H](NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1cc2ccccc2o1 ZINC000007684673 569300674 /nfs/dbraw/zinc/30/06/74/569300674.db2.gz JYMWFRDRGNBUEL-YLJYHZDGSA-N 0 0 420.509 4.608 50 0 HJAARN O=C(NC[C@H]1CCCO1)c1cc2sccc2n1Cc1ccc(C(F)(F)F)cc1 ZINC000037525039 569304006 /nfs/dbraw/zinc/30/40/06/569304006.db2.gz ZBTRZWLJDPLDOJ-OAHLLOKOSA-N 0 0 408.445 4.679 50 0 HJAARN Cc1cc2c(cc(C(=O)NCCc3ccccn3)n2Cc2ccc(F)c(F)c2)s1 ZINC000037525978 569304093 /nfs/dbraw/zinc/30/40/93/569304093.db2.gz XSYXKGGLSVWKEA-UHFFFAOYSA-N 0 0 411.477 4.705 50 0 HJAARN Cc1cc2c(cc(C(=O)NCCc3ccccn3)n2Cc2ccc(F)cc2F)s1 ZINC000037527153 569304300 /nfs/dbraw/zinc/30/43/00/569304300.db2.gz MOTHSVSPLHCJPP-UHFFFAOYSA-N 0 0 411.477 4.705 50 0 HJAARN Cc1nn(CC(C)C)c2sc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)cc12 ZINC000007735315 569304661 /nfs/dbraw/zinc/30/46/61/569304661.db2.gz KBFBRGSIBXTTDZ-UHFFFAOYSA-N 0 0 424.570 4.941 50 0 HJAARN CCOc1ccc(CN(C)C(=O)c2ccccc2OCc2c(C)noc2C)cc1OC ZINC000007737020 569305066 /nfs/dbraw/zinc/30/50/66/569305066.db2.gz HTCYSBXFMPZKJS-UHFFFAOYSA-N 0 0 424.497 4.550 50 0 HJAARN O=C(Nc1ccc(N2CCCN(Cc3ccc(F)c(F)c3)C2=O)cc1)c1ccco1 ZINC000037545139 569305482 /nfs/dbraw/zinc/30/54/82/569305482.db2.gz YPQKWTIIJHNTEQ-UHFFFAOYSA-N 0 0 411.408 4.642 50 0 HJAARN O=C(Nc1ccc(N2CCCN(Cc3cc(F)cc(F)c3)C2=O)cc1)C1CCCC1 ZINC000037545153 569305498 /nfs/dbraw/zinc/30/54/98/569305498.db2.gz JTFKQZBPFDGUJF-UHFFFAOYSA-N 0 0 413.468 4.926 50 0 HJAARN CC(C)N(C)C(=O)CCc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F ZINC000037546705 569305887 /nfs/dbraw/zinc/30/58/87/569305887.db2.gz ODVQAASTIZXXEN-UHFFFAOYSA-N 0 0 413.468 4.957 50 0 HJAARN CC(C)NC(=O)N1C[C@H](C(=O)N[C@@H](C)c2ccccc2)CC[C@H]1c1ccc(F)cc1 ZINC000037546585 569305901 /nfs/dbraw/zinc/30/59/01/569305901.db2.gz CGZDEFPKTKSFTL-WEYGHZABSA-N 0 0 411.521 4.574 50 0 HJAARN Cc1ccccc1Nc1nnc(SCC(=O)Nc2ccnn2C2CCCC2)s1 ZINC000007753523 569307082 /nfs/dbraw/zinc/30/70/82/569307082.db2.gz CRQWVWYJTKCHHV-UHFFFAOYSA-N 0 0 414.560 4.633 50 0 HJAARN CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(C)cc2)c(NC(=O)C2CCC2)c1 ZINC000007764503 569308004 /nfs/dbraw/zinc/30/80/04/569308004.db2.gz CQQQYXOFJICPAF-UHFFFAOYSA-N 0 0 416.543 4.556 50 0 HJAARN C[C@H](OC(=O)CSc1ccc(F)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000007778327 569308956 /nfs/dbraw/zinc/30/89/56/569308956.db2.gz OGXJICRRQJBJQZ-ZDUSSCGKSA-N 0 0 416.499 4.612 50 0 HJAARN O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccccc1Br ZINC000007797902 569311052 /nfs/dbraw/zinc/31/10/52/569311052.db2.gz PPZZAMTYWVDUDI-SFHVURJKSA-N 0 0 407.739 4.669 50 0 HJAARN COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000195529334 569311977 /nfs/dbraw/zinc/31/19/77/569311977.db2.gz SPLRYQBIIXAWSV-NUJGCVRESA-N 0 0 415.452 4.563 50 0 HJAARN Cc1nc(-c2ccc(CNC(=O)CSc3nc4ccccc4o3)s2)cs1 ZINC000007821243 569313031 /nfs/dbraw/zinc/31/30/31/569313031.db2.gz XBCBEXABRVIAJZ-UHFFFAOYSA-N 0 0 401.538 4.730 50 0 HJAARN CN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)Cc1cccs1 ZINC000007846786 569314444 /nfs/dbraw/zinc/31/44/44/569314444.db2.gz VQYFEWNTHFGACO-IBGZPJMESA-N 0 0 413.930 4.804 50 0 HJAARN O=C(Nc1ccc(F)cc1)[C@H](Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000007848269 569314524 /nfs/dbraw/zinc/31/45/24/569314524.db2.gz JMKWEAIIORMWLX-HSZRJFAPSA-N 0 0 403.457 4.744 50 0 HJAARN COc1cc(OC)c([C@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)cc1OC ZINC000007883935 569315155 /nfs/dbraw/zinc/31/51/55/569315155.db2.gz QIKZKGPPQYYKOG-DEOSSOPVSA-N 0 0 418.493 4.788 50 0 HJAARN O=C1c2ccccc2N[C@@H](c2cn(Cc3ccccc3)nc2-c2cccnc2)N1C1CC1 ZINC000007886343 569315255 /nfs/dbraw/zinc/31/52/55/569315255.db2.gz PPDAUDAXLQPQGR-RUZDIDTESA-N 0 0 421.504 4.722 50 0 HJAARN COC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000002697235 569320633 /nfs/dbraw/zinc/32/06/33/569320633.db2.gz BLKOVRYNKOVNPH-UHFFFAOYSA-N 0 0 415.424 4.717 50 0 HJAARN COc1cccc(CSc2nnc(-c3cccc(OC)c3)n2Cc2ccco2)c1 ZINC000002237403 569322184 /nfs/dbraw/zinc/32/21/84/569322184.db2.gz GHNATERSNITGLC-UHFFFAOYSA-N 0 0 407.495 4.896 50 0 HJAARN Cc1ccc(C(=O)c2cnc3ccc(C)cc3c2S(=O)(=O)c2ccccc2)cc1 ZINC000002692654 569322261 /nfs/dbraw/zinc/32/22/61/569322261.db2.gz CGEBEDSQNXKVDX-UHFFFAOYSA-N 0 0 401.487 4.915 50 0 HJAARN CCCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1COc1ccc(CC)cc1 ZINC000003006546 569322715 /nfs/dbraw/zinc/32/27/15/569322715.db2.gz UKWSDRVJFHLVBE-QFIPXVFZSA-N 0 0 411.542 4.961 50 0 HJAARN CC1(C)Cc2nc(-c3ccccc3)nc(SCC(=O)Nc3ccccc3)c2CO1 ZINC000002251825 569324000 /nfs/dbraw/zinc/32/40/00/569324000.db2.gz KZUCVNVPGWLWRQ-UHFFFAOYSA-N 0 0 405.523 4.726 50 0 HJAARN CCCCCCNC(=O)c1c(N)n(-c2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000002248956 569324476 /nfs/dbraw/zinc/32/44/76/569324476.db2.gz AFDHNFOQXCJXFW-UHFFFAOYSA-N 0 0 401.514 4.774 50 0 HJAARN Cc1nc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2F)sc1C ZINC000002257758 569324863 /nfs/dbraw/zinc/32/48/63/569324863.db2.gz XGDMVVKOAODZJI-GOSISDBHSA-N 0 0 406.438 4.755 50 0 HJAARN CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Oc1ccc(-c2ccccc2)cc1 ZINC000002265707 569325644 /nfs/dbraw/zinc/32/56/44/569325644.db2.gz RFMAWSNEGHJKPC-UHFFFAOYSA-N 0 0 414.465 4.915 50 0 HJAARN CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@H](C(C)C)OC3 ZINC000002269096 569325949 /nfs/dbraw/zinc/32/59/49/569325949.db2.gz KZCFVTCBBGNQRL-MRXNPFEDSA-N 0 0 400.569 4.965 50 0 HJAARN O=c1c2c(nc(-c3ccccc3)n1CCCO)-c1ccccc1CC21CCCCC1 ZINC000002273492 569327608 /nfs/dbraw/zinc/32/76/08/569327608.db2.gz XYLOLXRAAKPJNZ-UHFFFAOYSA-N 0 0 400.522 4.718 50 0 HJAARN CCCCOc1ccc(-n2c(N)c(C(=O)OCC)c3nc4ccccc4nc32)cc1 ZINC000002278240 569327859 /nfs/dbraw/zinc/32/78/59/569327859.db2.gz WVTAGOFWWLRDDX-UHFFFAOYSA-N 0 0 404.470 4.512 50 0 HJAARN COc1cc2c(cc1OC)[C@]1(Cc3ccc(Cl)cc3)[C@@H]3CC=CC[C@@H]3C(=O)N1CC2 ZINC000019798650 569357337 /nfs/dbraw/zinc/35/73/37/569357337.db2.gz BIHDSPSHHZUMPY-DFIYOIEZSA-N 0 0 423.940 4.776 50 0 HJAARN CC(=O)O[C@@H](C)[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000039942638 569358247 /nfs/dbraw/zinc/35/82/47/569358247.db2.gz RHKDPTWPOLFLCS-ZBTZNVPRSA-N 0 0 418.574 4.564 50 0 HJAARN CCN(CC)c1ccc(C(=O)Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1 ZINC000027528402 569364267 /nfs/dbraw/zinc/36/42/67/569364267.db2.gz UWWQOQGWERDXRB-UHFFFAOYSA-N 0 0 418.541 4.674 50 0 HJAARN CCCc1ccc(C(=O)CCC(=O)Nc2ccccc2S[C@@H]2CCN(C)C2=O)cc1 ZINC000253425986 569368194 /nfs/dbraw/zinc/36/81/94/569368194.db2.gz KNQOFNNFXXKILY-JOCHJYFZSA-N 0 0 424.566 4.564 50 0 HJAARN CCOc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc12 ZINC000027551287 569372657 /nfs/dbraw/zinc/37/26/57/569372657.db2.gz UDNRSHXAJVRWBW-MOSHPQCFSA-N 0 0 406.869 4.985 50 0 HJAARN Cc1ccc(-c2csc3ncnc(Sc4nnnn4-c4ccccc4)c23)cc1 ZINC000000632122 569383832 /nfs/dbraw/zinc/38/38/32/569383832.db2.gz CJFUQXPREWZNKO-UHFFFAOYSA-N 0 0 402.508 4.794 50 0 HJAARN CCCCOC(=O)c1c(N)n(Cc2ccc(Cl)cc2)c2nc3ccccc3nc21 ZINC000002356177 569385312 /nfs/dbraw/zinc/38/53/12/569385312.db2.gz ROEHXIRZRLFWJD-UHFFFAOYSA-N 0 0 408.889 4.825 50 0 HJAARN O=c1[nH]n(C2CCCCC2)c2c1[C@H](c1ccc(Br)cc1)SCC(=O)N2 ZINC000002363436 569387354 /nfs/dbraw/zinc/38/73/54/569387354.db2.gz OGBXPHQLKDGBBV-INIZCTEOSA-N 0 0 422.348 4.631 50 0 HJAARN COCCn1cc(C(=O)N[C@@H]2CCCc3c4cc(OC)ccc4[nH]c32)c2ccccc21 ZINC000252502391 569387832 /nfs/dbraw/zinc/38/78/32/569387832.db2.gz UPOSZTARBZZZNH-JOCHJYFZSA-N 0 0 417.509 4.585 50 0 HJAARN COCCn1c(C(=O)N[C@H](c2nc3ccccc3[nH]2)c2ccccc2)cc2ccccc21 ZINC000253412942 569389013 /nfs/dbraw/zinc/38/90/13/569389013.db2.gz SOIWDXMTWJTPQW-DEOSSOPVSA-N 0 0 424.504 4.683 50 0 HJAARN Nc1c(C(=O)NCc2ccc(F)cc2)c2nc3ccccc3nc2n1C1CCCCC1 ZINC000002379453 569390129 /nfs/dbraw/zinc/39/01/29/569390129.db2.gz PBHMDSVISPBSQE-UHFFFAOYSA-N 0 0 417.488 4.741 50 0 HJAARN CC[C@@]1(C)Cc2ccccc2-c2c1c(=O)n(Cc1ccccc1)c1nnc(SC)n12 ZINC000002393763 569394164 /nfs/dbraw/zinc/39/41/64/569394164.db2.gz YWZCOJRDKMMVTE-DEOSSOPVSA-N 0 0 416.550 4.552 50 0 HJAARN CCc1ccc(-n2c(N)c(C(=O)OC[C@@H](C)CC)c3nc4ccccc4nc32)cc1 ZINC000002395882 569394334 /nfs/dbraw/zinc/39/43/34/569394334.db2.gz KHACGQINSLUFIM-HNNXBMFYSA-N 0 0 402.498 4.921 50 0 HJAARN CCn1nc(NC(=O)c2ccccc2Br)c2cc3cccc(C)c3nc21 ZINC000002399867 569394880 /nfs/dbraw/zinc/39/48/80/569394880.db2.gz WTKVZOXDHRVJEN-UHFFFAOYSA-N 0 0 409.287 4.928 50 0 HJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)C)cc1)N(C[C@@H]1CCCO1)C3=O ZINC000002401849 569395563 /nfs/dbraw/zinc/39/55/63/569395563.db2.gz MAWUZNWSDVGOLX-WMZHIEFXSA-N 0 0 417.505 4.949 50 0 HJAARN Cc1ccc(-n2c(N)c(C(=O)NCCC(C)C)c3nc4ccccc4nc32)cc1Cl ZINC000002403539 569395766 /nfs/dbraw/zinc/39/57/66/569395766.db2.gz NRVGGXSZTWHWFW-UHFFFAOYSA-N 0 0 421.932 4.894 50 0 HJAARN COc1ccc(C(=O)Nc2nn(CC(C)C)c3nc4ccc(C)cc4cc23)cc1OC ZINC000002411155 569396842 /nfs/dbraw/zinc/39/68/42/569396842.db2.gz NPHQBRSIMAFEKL-UHFFFAOYSA-N 0 0 418.497 4.818 50 0 HJAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccccc1F)N(CCCOC(C)C)C3=O ZINC000002412906 569397108 /nfs/dbraw/zinc/39/71/08/569397108.db2.gz PFEHFPAGZHQRAK-QFIPXVFZSA-N 0 0 423.484 4.909 50 0 HJAARN CC(C)(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000002414548 569397145 /nfs/dbraw/zinc/39/71/45/569397145.db2.gz QZFHWIGNZAQFCY-GCJKJVERSA-N 0 0 417.505 4.815 50 0 HJAARN O=C(/C=C/c1cc2c(c(Cl)c1)OCO2)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011074700 569397771 /nfs/dbraw/zinc/39/77/71/569397771.db2.gz QYQNUSDMUWAYMT-AATRIKPKSA-N 0 0 406.869 4.879 50 0 HJAARN CCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccccc2)s1 ZINC000002428156 569398757 /nfs/dbraw/zinc/39/87/57/569398757.db2.gz VJUXSPIAKYUQME-QGZVFWFLSA-N 0 0 423.881 4.610 50 0 HJAARN CCCCc1nc2sc3c(nc(SC)nc3N(CC)CCO)c2c2c1CCC2 ZINC000002428836 569398824 /nfs/dbraw/zinc/39/88/24/569398824.db2.gz GRRWIKFUKIPLBP-UHFFFAOYSA-N 0 0 416.616 4.611 50 0 HJAARN O=C(NCc1nnc2c3ccccc3c(-c3ccccc3)nn12)c1ccccc1Cl ZINC000002431512 569399169 /nfs/dbraw/zinc/39/91/69/569399169.db2.gz IXOLVPLZRGUOQT-UHFFFAOYSA-N 0 0 413.868 4.528 50 0 HJAARN Cc1ccc(-n2ncc3c4nnc(-c5cc6ccccc6cc5O)n4cnc32)cc1C ZINC000002439597 569400121 /nfs/dbraw/zinc/40/01/21/569400121.db2.gz DOXCXQZIMILJDS-UHFFFAOYSA-N 0 0 406.449 4.606 50 0 HJAARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)cc1 ZINC000002447293 569401740 /nfs/dbraw/zinc/40/17/40/569401740.db2.gz NLAQWEFHOAHYKO-UHFFFAOYSA-N 0 0 424.570 4.909 50 0 HJAARN Cn1ccnc1SC[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012656200 569402419 /nfs/dbraw/zinc/40/24/19/569402419.db2.gz CPDBALYNZRPEBV-USRPLYOTSA-N 0 0 416.631 4.855 50 0 biogenic HJAARN COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3cccc(OC)c3)n2)cc1 ZINC000002449623 569402587 /nfs/dbraw/zinc/40/25/87/569402587.db2.gz HZZGBUKOGHGEBN-UHFFFAOYSA-N 0 0 401.422 4.673 50 0 HJAARN Cn1ccnc1SC[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012663411 569402731 /nfs/dbraw/zinc/40/27/31/569402731.db2.gz PGSWBIZOBGMFIQ-BLDDEZIESA-N 0 0 416.631 4.567 50 0 biogenic HJAARN O=C(c1cc2c(c(Cl)c1)OCO2)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000007947948 569403055 /nfs/dbraw/zinc/40/30/55/569403055.db2.gz VDYQLEOUIKQZKE-QGZVFWFLSA-N 0 0 403.912 4.980 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000012898933 569404795 /nfs/dbraw/zinc/40/47/95/569404795.db2.gz GQRYOBZYNQEMLJ-UHFFFAOYSA-N 0 0 424.353 4.617 50 0 HJAARN CCCOc1c(Cl)cc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1OC ZINC000012904498 569404904 /nfs/dbraw/zinc/40/49/04/569404904.db2.gz UIVJJZVRMALBIJ-UHFFFAOYSA-N 0 0 402.882 4.715 50 0 HJAARN Cc1cc(C)n(-c2ccc(Nc3ccc(NC(=O)c4cccc(Cl)c4)cc3)nn2)n1 ZINC000013009836 569407105 /nfs/dbraw/zinc/40/71/05/569407105.db2.gz CZHWGTGEORXGSY-UHFFFAOYSA-N 0 0 418.888 4.928 50 0 HJAARN C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)CSc1cccc2cccc(Cl)c21 ZINC000013110196 569409302 /nfs/dbraw/zinc/40/93/02/569409302.db2.gz CQXKTXYDWDSJKX-GASCZTMLSA-N 0 0 405.947 4.918 50 0 HJAARN O=C(CSc1nnc(-c2ccccc2Br)o1)c1ccc2c(c1)CCC2 ZINC000013112350 569409308 /nfs/dbraw/zinc/40/93/08/569409308.db2.gz VGZBXRFJCASWEW-UHFFFAOYSA-N 0 0 415.312 4.963 50 0 HJAARN O=C([C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)c1ccccc1)N1CCCC1 ZINC000013165355 569410274 /nfs/dbraw/zinc/41/02/74/569410274.db2.gz UZYGPZSWXJBNLH-HXUWFJFHSA-N 0 0 404.539 4.601 50 0 HJAARN COc1cccc(CNC(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)c1 ZINC000013348159 569410938 /nfs/dbraw/zinc/41/09/38/569410938.db2.gz YDWWSRFUCQTQMF-UHFFFAOYSA-N 0 0 400.482 4.678 50 0 HJAARN Cc1ccc(NC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)cc1 ZINC000013355170 569411375 /nfs/dbraw/zinc/41/13/75/569411375.db2.gz XCPKKOLINOQMJM-UHFFFAOYSA-N 0 0 420.534 4.699 50 0 HJAARN Cc1nc(-c2ccc(C)c(S(=O)(=O)NCCc3ccc(Cl)cc3)c2)cs1 ZINC000013357865 569411504 /nfs/dbraw/zinc/41/15/04/569411504.db2.gz NDUMOQDRBVDCSC-UHFFFAOYSA-N 0 0 406.960 4.601 50 0 HJAARN Cc1ccc2oc(-c3ccc(NC(=O)c4ccc5c(c4)OCCO5)cc3O)nc2c1 ZINC000002462317 569414125 /nfs/dbraw/zinc/41/41/25/569414125.db2.gz XDZVVCJWCJQFIZ-UHFFFAOYSA-N 0 0 402.406 4.532 50 0 HJAARN CN(Cc1c(F)cccc1Cl)C(=O)CSc1nc(-c2ccc(F)cc2)c[nH]1 ZINC000019298295 569415517 /nfs/dbraw/zinc/41/55/17/569415517.db2.gz ISGNINSEIGCBQX-UHFFFAOYSA-N 0 0 407.873 4.759 50 0 HJAARN CCCN(C(=O)CCc1nc(-c2ccco2)no1)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000078874793 569421096 /nfs/dbraw/zinc/42/10/96/569421096.db2.gz QRCKEXNIJDELPO-RTBURBONSA-N 0 0 415.534 4.629 50 0 HJAARN Cc1ccccc1-n1ncc(C(=O)N[C@H](C)c2nc(C3CCCC3)no2)c1C1CC1 ZINC000078935777 569421748 /nfs/dbraw/zinc/42/17/48/569421748.db2.gz DLBPXPRCVVHOOM-OAHLLOKOSA-N 0 0 405.502 4.590 50 0 HJAARN COc1ccc(CCC(=O)N2CC[C@](C)(CCc3ccccc3)C2)c(OC)c1OC ZINC000079049986 569425575 /nfs/dbraw/zinc/42/55/75/569425575.db2.gz DOLZASQCOCLQRR-VWLOTQADSA-N 0 0 411.542 4.516 50 0 HJAARN C[C@@H](O)C[C@@H](CNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccccc1 ZINC000079104793 569427613 /nfs/dbraw/zinc/42/76/13/569427613.db2.gz ROGKNUOYGFROCJ-NQIIRXRSSA-N 0 0 407.485 4.689 50 0 HJAARN CCCCN1CCn2c3ccc(NC(=O)c4ccc(-n5cccc5)cc4)cc3nc2C1 ZINC000019855411 569431236 /nfs/dbraw/zinc/43/12/36/569431236.db2.gz UGAIQBQPWNUBRM-UHFFFAOYSA-N 0 0 413.525 4.695 50 0 HJAARN CC(C)n1c(CCNC(=O)CCCc2cn(C)c3ccccc23)nc2ccccc21 ZINC000079495122 569432719 /nfs/dbraw/zinc/43/27/19/569432719.db2.gz QDEXLALUGXTDKI-UHFFFAOYSA-N 0 0 402.542 4.791 50 0 HJAARN CC[C@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1cccc(Cl)c1C ZINC000067238997 571051376 /nfs/dbraw/zinc/05/13/76/571051376.db2.gz COSSBYSNIVTAGE-LBPRGKRZSA-N 0 0 418.950 4.697 50 0 HJAARN CC[C@@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000067238807 571051556 /nfs/dbraw/zinc/05/15/56/571051556.db2.gz JJQSDDYOLLUQMZ-OAHLLOKOSA-N 0 0 412.559 4.858 50 0 HJAARN CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000008481075 571054975 /nfs/dbraw/zinc/05/49/75/571054975.db2.gz MXVDFIVHYXBODM-OAQYLSRUSA-N 0 0 406.457 4.552 50 0 HJAARN O=c1c2sccc2n(Cc2cccc(Cl)c2)c(=O)n1-c1ccc(Cl)cc1 ZINC000067258352 571057591 /nfs/dbraw/zinc/05/75/91/571057591.db2.gz YFVYUIOECCSGAD-UHFFFAOYSA-N 0 0 403.290 4.569 50 0 HJAARN CC(C)OCCCn1c(=O)c2ccccc2nc1SCc1cc(F)cc(F)c1 ZINC000067259124 571058177 /nfs/dbraw/zinc/05/81/77/571058177.db2.gz XTOLCSSTZVNQQT-UHFFFAOYSA-N 0 0 404.482 4.782 50 0 HJAARN COc1ccc(OC)c(-n2c(=O)c3ccccc3nc2SCc2cccc(F)c2)c1 ZINC000067258957 571058227 /nfs/dbraw/zinc/05/82/27/571058227.db2.gz KQLRDRCUPLXECJ-UHFFFAOYSA-N 0 0 422.481 4.834 50 0 HJAARN COc1ccccc1-n1c(=O)c2ccccc2nc1SCc1ccc(F)cc1F ZINC000067259560 571058874 /nfs/dbraw/zinc/05/88/74/571058874.db2.gz HDBXRQXHHSSNFK-UHFFFAOYSA-N 0 0 410.445 4.965 50 0 HJAARN COc1cccc(CSc2nc3ccsc3c(=O)n2Cc2ccccc2F)c1 ZINC000067259895 571058906 /nfs/dbraw/zinc/05/89/06/571058906.db2.gz MWCOHYKFPNRDKN-UHFFFAOYSA-N 0 0 412.511 4.946 50 0 HJAARN CCN1c2ccccc2-c2nc(SCc3ccc(Cl)cc3)ncc2S1(=O)=O ZINC000067260070 571059204 /nfs/dbraw/zinc/05/92/04/571059204.db2.gz UTFXBSGKPCXWLU-UHFFFAOYSA-N 0 0 417.943 4.618 50 0 HJAARN Cc1c(-c2nc(-c3cccc(C)c3)no2)sc2ncn(Cc3ccccc3)c(=O)c12 ZINC000067260268 571059565 /nfs/dbraw/zinc/05/95/65/571059565.db2.gz UBCQXGHLIPDXPI-UHFFFAOYSA-N 0 0 414.490 4.840 50 0 HJAARN Cc1c(-c2nc(-c3cccs3)no2)sc2ncn(Cc3cccc(F)c3)c(=O)c12 ZINC000067260392 571059584 /nfs/dbraw/zinc/05/95/84/571059584.db2.gz JUZJFJPODFLYBW-UHFFFAOYSA-N 0 0 424.482 4.732 50 0 HJAARN Cn1c2ccccc2nc1C1CCC(CNC(=O)c2ccc(Br)o2)CC1 ZINC000038671780 571060507 /nfs/dbraw/zinc/06/05/07/571060507.db2.gz BJUMXKAQLMSSRH-UHFFFAOYSA-N 0 0 416.319 4.633 50 0 HJAARN COc1ccc(NC(=O)Nc2nc3c(cccc3Br)s2)cc1OC ZINC000038671446 571060511 /nfs/dbraw/zinc/06/05/11/571060511.db2.gz GPJLNNWKSUXZRR-UHFFFAOYSA-N 0 0 408.277 4.720 50 0 HJAARN COc1ccc(OC)c(CNc2nc3c(-c4ccccc4)nnn3c3ccccc32)c1 ZINC000067262186 571061374 /nfs/dbraw/zinc/06/13/74/571061374.db2.gz GVJKLSQWAKEGHZ-UHFFFAOYSA-N 0 0 411.465 4.574 50 0 HJAARN Cc1ccccc1N1CCN(c2nc3c(-c4ccccc4)nnn3c3ccccc32)CC1 ZINC000067263380 571061862 /nfs/dbraw/zinc/06/18/62/571061862.db2.gz BBUTZPTYGPYSNM-UHFFFAOYSA-N 0 0 420.520 4.580 50 0 HJAARN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000008498682 571062254 /nfs/dbraw/zinc/06/22/54/571062254.db2.gz GGAPVSJTFNKOEQ-HXUWFJFHSA-N 0 0 400.906 4.762 50 0 HJAARN C[C@H](Nc1c(C(=O)N2CCOCC2)cnc2ccc(Cl)cc21)c1ccc(F)cc1 ZINC000067288405 571066094 /nfs/dbraw/zinc/06/60/94/571066094.db2.gz ZKAAMKJEDIBRCC-AWEZNQCLSA-N 0 0 413.880 4.673 50 0 HJAARN Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)cc1F ZINC000067293019 571068757 /nfs/dbraw/zinc/06/87/57/571068757.db2.gz WHXPHRHRHUOSNZ-IFMSOTMUSA-N 0 0 414.864 4.675 50 0 HJAARN Cc1ccc(F)c(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)c1 ZINC000067293093 571068762 /nfs/dbraw/zinc/06/87/62/571068762.db2.gz UACYKMIWWFUKOJ-DAAIQYDRSA-N 0 0 414.864 4.675 50 0 HJAARN COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3cccc(Cl)c3)oc21 ZINC000067293556 571069110 /nfs/dbraw/zinc/06/91/10/571069110.db2.gz SCDKYGCEBJITDS-LVWGJNHUSA-N 0 0 405.841 4.975 50 0 HJAARN COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(F)c(C)c3)oc21 ZINC000067293631 571069488 /nfs/dbraw/zinc/06/94/88/571069488.db2.gz TWQDFCNZSXSBEL-RWEWTDSWSA-N 0 0 403.413 4.769 50 0 HJAARN Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(F)c(F)c2)nc1 ZINC000067294322 571069672 /nfs/dbraw/zinc/06/96/72/571069672.db2.gz ACHOLVRRXFUIHG-ROMGYVFFSA-N 0 0 407.376 4.605 50 0 HJAARN Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(F)cc2C)nc1 ZINC000067294389 571069802 /nfs/dbraw/zinc/06/98/02/571069802.db2.gz LOCUWJFSWULBHD-RWEWTDSWSA-N 0 0 403.413 4.774 50 0 HJAARN COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(C)cc3F)oc21 ZINC000067295936 571070829 /nfs/dbraw/zinc/07/08/29/571070829.db2.gz HJIOTVVAJACEMJ-GFMRDNFCSA-N 0 0 409.442 4.830 50 0 HJAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccccc3F)oc21 ZINC000067295687 571070847 /nfs/dbraw/zinc/07/08/47/571070847.db2.gz DUFBNPPQVLRWDS-RWEWTDSWSA-N 0 0 403.413 4.769 50 0 HJAARN COc1ccc(Cl)cc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccccn1 ZINC000067296387 571071137 /nfs/dbraw/zinc/07/11/37/571071137.db2.gz CLIWJOILASEVPC-LVWGJNHUSA-N 0 0 405.841 4.975 50 0 HJAARN COc1ccc(OC)c(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)c1 ZINC000067297358 571071729 /nfs/dbraw/zinc/07/17/29/571071729.db2.gz GRXDKZPMUVTLIS-LCUIJRPUSA-N 0 0 400.434 4.935 50 0 HJAARN CSc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)c1 ZINC000067298042 571072237 /nfs/dbraw/zinc/07/22/37/571072237.db2.gz WAYVJUNEXQNJJO-QOCHGBHMSA-N 0 0 409.492 4.802 50 0 HJAARN Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(F)c(F)c2)n1 ZINC000067297916 571072244 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CCc1ccc(-n2nc(C)c3c2NC(=O)CS[C@@H]3c2ccc(OC)cc2OC)cc1 ZINC000008587212 571083869 /nfs/dbraw/zinc/08/38/69/571083869.db2.gz NFDNPSGCOBVRCQ-JOCHJYFZSA-N 0 0 423.538 4.535 50 0 HJAARN CC[C@@H](C(=O)Nc1cc(C)ccc1C)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000008599687 571089062 /nfs/dbraw/zinc/08/90/62/571089062.db2.gz NDZSKOHGWRXBCJ-INIZCTEOSA-N 0 0 403.404 4.622 50 0 HJAARN Cc1ccccc1CNC(=O)c1ccc(NC(=O)c2nsc3ccccc32)cc1 ZINC000008599353 571089109 /nfs/dbraw/zinc/08/91/09/571089109.db2.gz VUAUVAIAWGFVHK-UHFFFAOYSA-N 0 0 401.491 4.787 50 0 aggregator HJAARN Cc1ccccc1CNC(=O)c1cccc(NC(=O)c2nsc3ccccc32)c1 ZINC000008599611 571089156 /nfs/dbraw/zinc/08/91/56/571089156.db2.gz YMNFHNUHUDHWON-UHFFFAOYSA-N 0 0 401.491 4.787 50 0 aggregator HJAARN CC[C@@H](C(=O)Nc1ccc(C)c(C)c1)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000008599712 571089489 /nfs/dbraw/zinc/08/94/89/571089489.db2.gz PFFYKIPIWRYEQK-INIZCTEOSA-N 0 0 403.404 4.622 50 0 HJAARN CC(=O)c1cccc(Nc2ccc3cc(S(=O)(=O)N4CCC(C)CC4)ccc3n2)c1 ZINC000008599809 571089530 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557455266 /nfs/dbraw/zinc/45/52/66/557455266.db2.gz RQLZLDXHYJXZLD-INIZCTEOSA-N 0 0 404.901 4.801 50 0 HJAARN CC1CCN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc2)CC1 ZINC000034760884 557460146 /nfs/dbraw/zinc/46/01/46/557460146.db2.gz VVTZFPSZWNGMLE-QNGOZBTKSA-N 0 0 420.534 4.795 50 0 HJAARN CCc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 ZINC000003249510 557464102 /nfs/dbraw/zinc/46/41/02/557464102.db2.gz NZKFKKDRMMCGOB-UHFFFAOYSA-N 0 0 415.522 4.623 50 0 HJAARN O=C(c1ccc(F)cc1F)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 ZINC000034812545 557465013 /nfs/dbraw/zinc/46/50/13/557465013.db2.gz VRVBUDRLMDJHQV-UHFFFAOYSA-N 0 0 419.431 4.607 50 0 HJAARN COc1ccccc1-c1n[nH]c(CC(C)C)c1NC(=O)c1c(OC)cccc1OC ZINC000034796351 557471797 /nfs/dbraw/zinc/47/17/97/557471797.db2.gz ZFASCODDFBOLHA-UHFFFAOYSA-N 0 0 409.486 4.553 50 0 HJAARN CC(C)CCNC(=O)[C@H]1CCCN(c2nc3ccccc3n2CCc2ccccc2)C1 ZINC000034907609 557474451 /nfs/dbraw/zinc/47/44/51/557474451.db2.gz QGCZYDFBDRNARA-QFIPXVFZSA-N 0 0 418.585 4.658 50 0 HJAARN O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 ZINC000003627934 557495012 /nfs/dbraw/zinc/49/50/12/557495012.db2.gz RETHIGOXQPQYEO-UHFFFAOYSA-N 0 0 406.463 4.514 50 0 HJAARN COC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000004006240 557504751 /nfs/dbraw/zinc/50/47/51/557504751.db2.gz UUKVADWQYFXELR-WMHJFFNYSA-N 0 0 417.549 4.693 50 0 biogenic HJAARN COc1ccc([C@H]2[C@H](Oc3ccccc3)C(=O)N2c2cc(C)ccc2C)cc1OC ZINC000004182863 557525801 /nfs/dbraw/zinc/52/58/01/557525801.db2.gz FJBMCTBJPTYACH-ZEQRLZLVSA-N 0 0 403.478 4.856 50 0 HJAARN Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000004262976 557533210 /nfs/dbraw/zinc/53/32/10/557533210.db2.gz ZHLCOCMKMKDJRH-QGZVFWFLSA-N 0 0 406.338 4.733 50 0 HJAARN Cc1c(C(=O)NCCSCc2ccc(F)cc2)cnn1-c1ccc(Cl)cc1 ZINC000004324677 557541569 /nfs/dbraw/zinc/54/15/69/557541569.db2.gz XKCVRKSSICQQMC-UHFFFAOYSA-N 0 0 403.910 4.636 50 0 HJAARN CC1CCN(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)CC1 ZINC000004325190 557541894 /nfs/dbraw/zinc/54/18/94/557541894.db2.gz RDEMCULUELJCQG-UHFFFAOYSA-N 0 0 405.325 4.895 50 0 HJAARN C[C@@H](NC(=S)NC(=O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 ZINC000004404715 557552267 /nfs/dbraw/zinc/55/22/67/557552267.db2.gz TZNQOJGWTXLGEJ-YVIFXJPMSA-N 0 0 400.632 4.798 50 0 HJAARN COc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1OC ZINC000004487842 557558985 /nfs/dbraw/zinc/55/89/85/557558985.db2.gz YPNYIYVBRLQCMG-UHFFFAOYSA-N 0 0 416.433 4.955 50 0 HJAARN CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(F)cc2)sc2c1CC[C@@H](CC)C2 ZINC000004577190 557569639 /nfs/dbraw/zinc/56/96/39/557569639.db2.gz PCCJYGWMMOSJMO-UONOGXRCSA-N 0 0 419.518 4.985 50 0 HJAARN CCCCOc1ccc(C(=O)N/C(=C/c2ccc(OC(C)C)cc2)C(=O)NCC)cc1 ZINC000004652713 557576108 /nfs/dbraw/zinc/57/61/08/557576108.db2.gz QWTUABUVNZCYTF-HAVVHWLPSA-N 0 0 424.541 4.560 50 0 HJAARN CCOc1ccc(C(=O)NC(=S)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000004657390 557576900 /nfs/dbraw/zinc/57/69/00/557576900.db2.gz XMQRBYFRQOZYLS-ZHHULCEESA-N 0 0 421.006 4.948 50 0 HJAARN CCCc1oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2c1C(=O)OCC ZINC000004660857 557577712 /nfs/dbraw/zinc/57/77/12/557577712.db2.gz JYXFTAMWZQRAMQ-UHFFFAOYSA-N 0 0 415.511 4.980 50 0 HJAARN CCCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(F)cc1 ZINC000004671163 557579706 /nfs/dbraw/zinc/57/97/06/557579706.db2.gz UNXYPDXGKLVZPG-UHFFFAOYSA-N 0 0 415.486 4.973 50 0 HJAARN CC(C)CCOC(=O)[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000004694501 557581947 /nfs/dbraw/zinc/58/19/47/557581947.db2.gz GWKAZQKZPGPUOI-OAQYLSRUSA-N 0 0 417.571 4.593 50 0 HJAARN COc1ccc(N2C[C@H](C(=O)Nc3ccccc3Sc3ccccc3)CC2=O)cc1 ZINC000004731955 557588507 /nfs/dbraw/zinc/58/85/07/557588507.db2.gz RQHUOBCYFNFNPA-QGZVFWFLSA-N 0 0 418.518 4.838 50 0 HJAARN CCCC1=Nc2nc3ccccc3n2[C@H](c2cc(OC)ccc2OC)C1C(=O)OCC ZINC000004735593 557589027 /nfs/dbraw/zinc/58/90/27/557589027.db2.gz IUBHUAJQKBMSTO-JOCHJYFZSA-N 0 0 421.497 4.686 50 0 HJAARN Cc1sc(NC(=O)c2ccco2)c(C(=O)NCc2cccnc2)c1-c1ccccc1 ZINC000004749584 557592673 /nfs/dbraw/zinc/59/26/73/557592673.db2.gz QOQKAZHKSPUHAU-UHFFFAOYSA-N 0 0 417.490 4.894 50 0 HJAARN COc1ccc(C(=O)N/C(=C/c2cccs2)c2nc3ccccc3[nH]2)cc1OC ZINC000004756216 557594172 /nfs/dbraw/zinc/59/41/72/557594172.db2.gz WLKUKVVCHULREC-QGOAFFKASA-N 0 0 405.479 4.570 50 0 HJAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)o2)cc1Br ZINC000004808474 557599498 /nfs/dbraw/zinc/59/94/98/557599498.db2.gz QRMDWNRVZLEYBJ-UHFFFAOYSA-N 0 0 404.289 4.538 50 0 HJAARN COc1ccc(CC(=O)Nc2cccc(-c3cn4ccc(C)cc4n3)c2)cc1OC ZINC000004809768 557599952 /nfs/dbraw/zinc/59/99/52/557599952.db2.gz MCWNOJZHINHODC-UHFFFAOYSA-N 0 0 401.466 4.508 50 0 HJAARN Cc1nnc2sc(-c3ccc(NC(=O)c4ccc(OCC(C)C)cc4)c(C)c3)nn12 ZINC000004820429 557602451 /nfs/dbraw/zinc/60/24/51/557602451.db2.gz QEOPMRNFLBQXAU-UHFFFAOYSA-N 0 0 421.526 4.757 50 0 HJAARN O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccc(Oc2ccccc2)cc1 ZINC000004827764 557603728 /nfs/dbraw/zinc/60/37/28/557603728.db2.gz XSUBYIFEFUHLMB-UHFFFAOYSA-N 0 0 402.479 4.790 50 0 HJAARN CCN1C(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2Cl)NC1=S ZINC000004845720 557605653 /nfs/dbraw/zinc/60/56/53/557605653.db2.gz WGOKSFZHKUHSAE-SXGWCWSVSA-N 0 0 407.322 4.650 50 0 HJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1nc(-c2cccc(C)c2)no1 ZINC000004855819 557607022 /nfs/dbraw/zinc/60/70/22/557607022.db2.gz CQMKUDDJAOXPSE-UHFFFAOYSA-N 0 0 408.845 4.592 50 0 HJAARN CC[C@H](C(=O)c1ccccc1)[C@H]1c2cc(Br)ccc2OC(=O)[C@@H]1C(C)=O ZINC000004872400 557608838 /nfs/dbraw/zinc/60/88/38/557608838.db2.gz KIBXHWGMCRKKCS-IPELMVKDSA-N 0 0 415.283 4.566 50 0 HJAARN COc1ccc2c(c1)CCc1c(C(=O)Nc3ccc(OC(F)(F)F)cc3)noc1-2 ZINC000004881382 557609659 /nfs/dbraw/zinc/60/96/59/557609659.db2.gz BTYLGRYOOAEOJJ-UHFFFAOYSA-N 0 0 404.344 4.600 50 0 HJAARN CCOC(=O)c1cc(C(CC)CC)n(-c2ccc(C(=O)N3CCC[C@@H](C)C3)cc2)n1 ZINC000022650653 557614302 /nfs/dbraw/zinc/61/43/02/557614302.db2.gz KKVJBEUMHBEYSF-QGZVFWFLSA-N 0 0 411.546 4.825 50 0 HJAARN COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cc(Cl)ccc1OC ZINC000004973326 557618684 /nfs/dbraw/zinc/61/86/84/557618684.db2.gz RKZDJTDGINSFGB-UHFFFAOYSA-N 0 0 409.829 4.813 50 0 HJAARN C[C@H](Sc1nc(-c2ccccc2)cc(=O)[nH]1)C(=O)Nc1nc2ccccc2s1 ZINC000004999497 557623555 /nfs/dbraw/zinc/62/35/55/557623555.db2.gz JHJNOTWKBRZHKI-LBPRGKRZSA-N 0 0 408.508 4.578 50 0 HJAARN CCC(=O)Nc1cc(C(=O)OCc2ccc(C(=O)Oc3ccccc3)cc2)ccc1C ZINC000005013247 557625497 /nfs/dbraw/zinc/62/54/97/557625497.db2.gz BGACWLMDGBATPH-UHFFFAOYSA-N 0 0 417.461 4.920 50 0 HJAARN CC[C@H](Sc1ncc(-c2ccccc2)nn1)C(=O)Nc1nc2ccccc2s1 ZINC000005016535 557626319 /nfs/dbraw/zinc/62/63/19/557626319.db2.gz LHRXUGYUXQQIEK-INIZCTEOSA-N 0 0 407.524 4.658 50 0 HJAARN COc1ccc(NC(=S)Nc2ccn(C34CC5CC(CC(C5)C3)C4)n2)cc1OC ZINC000005041468 557628636 /nfs/dbraw/zinc/62/86/36/557628636.db2.gz NWXQHHSTOKFNMS-UHFFFAOYSA-N 0 0 412.559 4.635 50 0 HJAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)N[C@@H](C)c2ccccc2)c1C ZINC000005054006 557631157 /nfs/dbraw/zinc/63/11/57/557631157.db2.gz RXNVPAMLSNBAJG-SFHVURJKSA-N 0 0 404.510 4.826 50 0 HJAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CC(=O)Nc2cc(C)ccc2OC)c1C ZINC000005054168 557631405 /nfs/dbraw/zinc/63/14/05/557631405.db2.gz NMWYONUAJLCASO-UHFFFAOYSA-N 0 0 420.509 4.904 50 0 HJAARN CCCCc1ccc(NC(=O)c2cccn(OCc3cccc(Cl)c3)c2=O)cc1 ZINC000005054710 557631538 /nfs/dbraw/zinc/63/15/38/557631538.db2.gz FIUIVWFOGHOTQT-UHFFFAOYSA-N 0 0 410.901 4.725 50 0 HJAARN COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1Cl ZINC000005064311 557633376 /nfs/dbraw/zinc/63/33/76/557633376.db2.gz WXYRVTFOWYRAER-UHFFFAOYSA-N 0 0 401.915 4.740 50 0 HJAARN CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccc(Cl)cc1 ZINC000005309449 557644231 /nfs/dbraw/zinc/64/42/31/557644231.db2.gz VYNJZXBJARKPQY-UHFFFAOYSA-N 0 0 408.861 4.627 50 0 HJAARN C[C@@H]1CCc2c(sc3[nH]c(=S)n(-c4ccc(Br)cc4)c(=O)c23)C1 ZINC000005490112 557657345 /nfs/dbraw/zinc/65/73/45/557657345.db2.gz VVHXXHBTQJLOMA-SECBINFHSA-N 0 0 407.358 4.997 50 0 HJAARN CC(=O)Nc1ccc(C(=O)N(C)C2(C(=O)Nc3c(C)cccc3C)CCCCC2)cc1 ZINC000005748131 557672727 /nfs/dbraw/zinc/67/27/27/557672727.db2.gz NHNMZGQJXPBSMT-UHFFFAOYSA-N 0 0 421.541 4.675 50 0 HJAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000022656308 557673561 /nfs/dbraw/zinc/67/35/61/557673561.db2.gz XTDNDWVNINMNFY-IRLDBZIGSA-N 0 0 402.519 4.590 50 0 HJAARN COc1cc(OC)c(CN2CC=C(c3ccc(F)cc3)CC2)cc1Br ZINC000005526553 557684788 /nfs/dbraw/zinc/68/47/88/557684788.db2.gz LCSFDJKOJJOWAQ-UHFFFAOYSA-N 0 0 406.295 4.895 50 0 HJAARN CC[C@@H](C)NC(=O)CCN(Cc1ccccc1)c1nc(C2CC2)nc2ccccc21 ZINC000006773735 557720490 /nfs/dbraw/zinc/72/04/90/557720490.db2.gz CXTJFCHRPGLYDA-GOSISDBHSA-N 0 0 402.542 4.819 50 0 HJAARN COc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccccc4)cc2-3)OCO5)cc1 ZINC000002688260 557740527 /nfs/dbraw/zinc/74/05/27/557740527.db2.gz ZAPKOXBVEQBKSU-UHFFFAOYSA-N 0 0 409.445 4.989 50 0 HJAARN CCCCOc1cccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)c1 ZINC000007389859 557740925 /nfs/dbraw/zinc/74/09/25/557740925.db2.gz UUYMYHLCIXRRJE-UHFFFAOYSA-N 0 0 401.466 4.999 50 0 HJAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2)cc1 ZINC000002694511 557741340 /nfs/dbraw/zinc/74/13/40/557741340.db2.gz KQGUJLKRIDICIT-UHFFFAOYSA-N 0 0 408.523 4.973 50 0 HJAARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2Cl)N2C(=O)[C@@H](C)SC2=N1 ZINC000002701713 557742490 /nfs/dbraw/zinc/74/24/90/557742490.db2.gz YQXRMLNCJYTHIF-MEBBXXQBSA-N 0 0 413.326 4.594 50 0 HJAARN CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)cc1 ZINC000002703686 557743084 /nfs/dbraw/zinc/74/30/84/557743084.db2.gz QXSJCOBVJDHPCR-JOCHJYFZSA-N 0 0 412.445 4.645 50 0 HJAARN CC[C@@H](C)Sc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(OC)cc1 ZINC000002706312 557743834 /nfs/dbraw/zinc/74/38/34/557743834.db2.gz IRJGGSGPTQZDRP-OAHLLOKOSA-N 0 0 415.588 4.866 50 0 HJAARN CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc1cccc(Br)c1 ZINC000002721897 557747617 /nfs/dbraw/zinc/74/76/17/557747617.db2.gz MYVTTXRBLPSOQX-UHFFFAOYSA-N 0 0 418.316 4.916 50 0 HJAARN CCOc1ccc(C(=O)N2CC(=O)Nc3ccc(C)cc3[C@@H]2c2ccccc2)cc1 ZINC000002724212 557753039 /nfs/dbraw/zinc/75/30/39/557753039.db2.gz PVILILFXSJPLJI-DEOSSOPVSA-N 0 0 400.478 4.578 50 0 HJAARN O=C(c1c(F)cccc1F)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000002724591 557753053 /nfs/dbraw/zinc/75/30/53/557753053.db2.gz QZCJBYSXWXSANC-NRFANRHFSA-N 0 0 412.823 4.802 50 0 HJAARN Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)CCc1ccccc1)CC(=O)N2 ZINC000002724122 557753063 /nfs/dbraw/zinc/75/30/63/557753063.db2.gz ZMZLBGXSENTSED-VWLOTQADSA-N 0 0 402.469 4.637 50 0 HJAARN CC(C)Oc1ccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@@H]2c2ccccc2)cc1 ZINC000002724814 557753230 /nfs/dbraw/zinc/75/32/30/557753230.db2.gz NMCPGHFUYDAWNU-DEOSSOPVSA-N 0 0 418.468 4.797 50 0 HJAARN O=C(Nc1nc2ccc(OC(F)F)cc2s1)c1cc(Br)cs1 ZINC000002731340 557754352 /nfs/dbraw/zinc/75/43/52/557754352.db2.gz OHAPDMHVZYDEAZ-UHFFFAOYSA-N 0 0 405.245 4.974 50 0 HJAARN CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCC[C@H](C)C4)cc3n2)s1 ZINC000002771936 557760373 /nfs/dbraw/zinc/76/03/73/557760373.db2.gz HSMMHBMMKMHJCZ-LBPRGKRZSA-N 0 0 422.476 4.911 50 0 HJAARN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000408719175 557762890 /nfs/dbraw/zinc/76/28/90/557762890.db2.gz JPAMMQNJKVETRA-INIZCTEOSA-N 0 0 411.310 4.609 50 0 HJAARN CCOC(=O)c1c(NC(=O)c2c(OC)cccc2OC)sc2c1CCCCCC2 ZINC000002794927 557765155 /nfs/dbraw/zinc/76/51/55/557765155.db2.gz SEGSYZIHPXLRPV-UHFFFAOYSA-N 0 0 417.527 4.853 50 0 HJAARN Cc1cccc(NC(=O)c2ccn(COc3ccc(Cl)cc3Br)n2)c1 ZINC000002796558 557765598 /nfs/dbraw/zinc/76/55/98/557765598.db2.gz LNZVVKRPWDPSLP-UHFFFAOYSA-N 0 0 420.694 4.896 50 0 HJAARN COc1ccccc1CC(=O)Nc1ccc(-c2noc(-c3ccccc3OC)n2)cc1 ZINC000002931024 557771760 /nfs/dbraw/zinc/77/17/60/557771760.db2.gz AKVDULZCECUEIE-UHFFFAOYSA-N 0 0 415.449 4.602 50 0 HJAARN O=C(Nc1ccc(OCCOc2ccccc2)cc1)c1ccc(Br)o1 ZINC000008162154 557774131 /nfs/dbraw/zinc/77/41/31/557774131.db2.gz LRMCGXUJHVUYMF-UHFFFAOYSA-N 0 0 402.244 4.752 50 0 HJAARN O=C(c1ccccc1)c1cc2cc(Br)cc(Br)c2oc1=O ZINC000002952810 557774740 /nfs/dbraw/zinc/77/47/40/557774740.db2.gz QOPGPMGLJSKZQZ-UHFFFAOYSA-N 0 0 408.045 4.549 50 0 HJAARN CC(C)(C)c1ccc(OCc2nn3c(COc4ccc(F)cc4)nnc3s2)cc1 ZINC000008393429 557785607 /nfs/dbraw/zinc/78/56/07/557785607.db2.gz LFIUOWZMCFJZDH-UHFFFAOYSA-N 0 0 412.490 4.780 50 0 HJAARN O=C(Cn1c2ccccc2nc1C(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000008410085 557787053 /nfs/dbraw/zinc/78/70/53/557787053.db2.gz LNWLCZMBADPIHH-UHFFFAOYSA-N 0 0 419.278 4.913 50 0 HJAARN c1ccc2[nH]c(CN(Cc3nc4ccccc4[nH]3)Cc3nc4ccccc4[nH]3)nc2c1 ZINC000008617147 557797113 /nfs/dbraw/zinc/79/71/13/557797113.db2.gz YQIGEJHOYBUSLR-UHFFFAOYSA-N 0 0 407.481 4.518 50 0 HJAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000008722800 557802414 /nfs/dbraw/zinc/80/24/14/557802414.db2.gz OVEGQOANLBMOFM-ZDUSSCGKSA-N 0 0 407.297 4.635 50 0 HJAARN CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N1 ZINC000008739530 557803444 /nfs/dbraw/zinc/80/34/44/557803444.db2.gz AXWYNPQBPTVNDY-MRXNPFEDSA-N 0 0 412.223 4.538 50 0 HJAARN COc1ccc(-c2n[nH]c3c2CN(C(=O)c2ccc(-c4ccccc4)cc2)CC3)cc1 ZINC000008739881 557803735 /nfs/dbraw/zinc/80/37/35/557803735.db2.gz UZAGMMGZBDBGGN-UHFFFAOYSA-N 0 0 409.489 4.951 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)c2c(=O)[nH]nc(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000008844040 557811655 /nfs/dbraw/zinc/81/16/55/557811655.db2.gz DSSSXLJKSCHQGJ-UHFFFAOYSA-N 0 0 424.460 4.727 50 0 HJAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CCc1ccccc1)CC2 ZINC000022766651 557814718 /nfs/dbraw/zinc/81/47/18/557814718.db2.gz GIOXRLYVQDQFDA-SANMLTNESA-N 0 0 401.506 4.811 50 0 biogenic HJAARN O=C(Nc1ccc(-c2nc3ncccc3o2)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000008993688 557817712 /nfs/dbraw/zinc/81/77/12/557817712.db2.gz CFGRBTJHKSEWDH-UHFFFAOYSA-N 0 0 407.813 4.567 50 0 HJAARN Cc1ccc(NC2=NC(=O)C[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)S2)cc1 ZINC000009108987 557824038 /nfs/dbraw/zinc/82/40/38/557824038.db2.gz MIHYSFPZVRRFOA-OAHLLOKOSA-N 0 0 408.310 4.741 50 0 HJAARN Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(Cl)cc2Cl)c(C)c1 ZINC000009167914 557825200 /nfs/dbraw/zinc/82/52/00/557825200.db2.gz HHSRQPDCALQGRQ-GOSISDBHSA-N 0 0 404.297 4.877 50 0 HJAARN O=C(NCCCNC(=O)c1cccs1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000009227315 557830597 /nfs/dbraw/zinc/83/05/97/557830597.db2.gz QQMOOMMWQKBDTC-UHFFFAOYSA-N 0 0 423.321 4.865 50 0 HJAARN Cc1cccc(-c2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)n2C)c1 ZINC000009305622 557835972 /nfs/dbraw/zinc/83/59/72/557835972.db2.gz WREQTKFXCYIEDG-UHFFFAOYSA-N 0 0 421.551 4.645 50 0 HJAARN COc1ccc(NC(=O)c2cnn3c2N[C@@H](c2cccs2)C[C@@H]3C(F)(F)F)cc1 ZINC000009410414 557841577 /nfs/dbraw/zinc/84/15/77/557841577.db2.gz BACLCLWSXIOKNZ-GDBMZVCRSA-N 0 0 422.432 4.866 50 0 HJAARN CCCCc1ccc(NC(=O)c2cn(CC)cc3c(=O)n(-c4ccccc4)nc2-3)cc1 ZINC000009661436 557847229 /nfs/dbraw/zinc/84/72/29/557847229.db2.gz MVEXCGWTNSCIIH-UHFFFAOYSA-N 0 0 414.509 4.754 50 0 HJAARN CCOc1ccc(C(=O)Nc2ccc(I)cc2F)cc1Cl ZINC000009906303 557851177 /nfs/dbraw/zinc/85/11/77/557851177.db2.gz XXZYIVUPHHMGJW-UHFFFAOYSA-N 0 0 419.621 4.735 50 0 HJAARN Cc1ncc(CN2CCc3[nH]nc(C4(c5ccc(Cl)cc5)CCCC4)c3C2)cn1 ZINC000019731297 558259610 /nfs/dbraw/zinc/25/96/10/558259610.db2.gz XUOUPYPFSTZTSF-UHFFFAOYSA-N 0 0 407.949 4.580 50 0 HJAARN COc1cc(C(=O)Nc2nc3c(s2)c(Cl)ccc3Cl)cc(OC)c1OC ZINC000004330954 558262590 /nfs/dbraw/zinc/26/25/90/558262590.db2.gz ZNXJSWCELSHLNL-UHFFFAOYSA-N 0 0 413.282 4.881 50 0 HJAARN CC(C)n1cc(CN2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cn1 ZINC000011665206 558268724 /nfs/dbraw/zinc/26/87/24/558268724.db2.gz YTDUNEMLLWNCLY-JOCHJYFZSA-N 0 0 419.529 4.645 50 0 HJAARN Cc1ccc(C)c(OCCn2c3ccccc3nc2[C@H](C)NC(=O)c2ccco2)c1 ZINC000011667251 558269140 /nfs/dbraw/zinc/26/91/40/558269140.db2.gz OOGLKBQXCRLTDW-SFHVURJKSA-N 0 0 403.482 4.816 50 0 HJAARN Cc1ccccc1OCCCCn1c(CNC(=O)c2ccco2)nc2ccccc21 ZINC000011667179 558269146 /nfs/dbraw/zinc/26/91/46/558269146.db2.gz QTVDTKIVBUHZTD-UHFFFAOYSA-N 0 0 403.482 4.727 50 0 HJAARN CCN1c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)c3cccc(c23)C1=O ZINC000011691608 558270342 /nfs/dbraw/zinc/27/03/42/558270342.db2.gz ZRIGKRJYJKXSPP-UHFFFAOYSA-N 0 0 400.887 4.583 50 0 HJAARN CSc1ccccc1OCc1cc(C(=O)N2CCC(c3ccccc3)CC2)no1 ZINC000011703433 558270579 /nfs/dbraw/zinc/27/05/79/558270579.db2.gz JKZXHWLSGCOYHB-UHFFFAOYSA-N 0 0 408.523 4.995 50 0 HJAARN COc1ccc(C(=O)[C@H]2CCCN(C(=O)CCc3nc4ccccc4s3)C2)c(C)c1 ZINC000011712868 558271396 /nfs/dbraw/zinc/27/13/96/558271396.db2.gz KTYSSLCCWOPTQE-KRWDZBQOSA-N 0 0 422.550 4.667 50 0 HJAARN O=C(NC[C@@H]1Cc2c(c(-c3ccc(C(=O)C4CC4)cc3)ccc2F)O1)c1ccsc1 ZINC000019761695 558276838 /nfs/dbraw/zinc/27/68/38/558276838.db2.gz IEWGFWALDYKGAM-SFHVURJKSA-N 0 0 421.493 4.880 50 0 HJAARN CCc1cc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(OC)cc2F)no1 ZINC000011813084 558277731 /nfs/dbraw/zinc/27/77/31/558277731.db2.gz RBSDWGCZNUOETF-HSZRJFAPSA-N 0 0 419.456 4.654 50 0 HJAARN CCn1c2ccccc2c2cc(CN3CCN(C(=O)c4ccc(F)cc4)CC3)ccc21 ZINC000019773555 558280521 /nfs/dbraw/zinc/28/05/21/558280521.db2.gz XZKRPZKTRVPVPH-UHFFFAOYSA-N 0 0 415.512 4.912 50 0 HJAARN O=C(c1cc(COc2cccc3cnccc32)on1)N(Cc1ccccc1)CC1CC1 ZINC000011818325 558281516 /nfs/dbraw/zinc/28/15/16/558281516.db2.gz JWWSVXSEZLNJPN-UHFFFAOYSA-N 0 0 413.477 4.854 50 0 HJAARN O=C(CSc1ccccn1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000011820884 558284245 /nfs/dbraw/zinc/28/42/45/558284245.db2.gz PVTHGVKIOUEMHD-XMMPIXPASA-N 0 0 417.509 4.968 50 0 HJAARN O=C(CCc1ccccn1)N1CCC[C@@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000011821643 558284887 /nfs/dbraw/zinc/28/48/87/558284887.db2.gz LKFOHWBBLWGRCF-OAQYLSRUSA-N 0 0 414.505 4.928 50 0 HJAARN O=C(c1cn(C(c2ccccc2)c2ccccc2)nn1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000011839307 558285967 /nfs/dbraw/zinc/28/59/67/558285967.db2.gz UAODHTDUAAVRLN-UGKGYDQZSA-N 0 0 400.526 4.568 50 0 HJAARN COc1ccc(-c2nnc(SCC(=O)c3ccc(F)cc3)n2Cc2ccco2)cc1 ZINC000019810606 558286959 /nfs/dbraw/zinc/28/69/59/558286959.db2.gz HPQAGBDMEGPUKL-UHFFFAOYSA-N 0 0 423.469 4.709 50 0 HJAARN FC(F)(F)c1ccccc1CN1CCN(Cc2ccccc2Br)CC1 ZINC000019832127 558291903 /nfs/dbraw/zinc/29/19/03/558291903.db2.gz QUJQLQPRXKZNOK-UHFFFAOYSA-N 0 0 413.281 4.786 50 0 HJAARN O=C(c1ccc2oc(CCCc3ccccc3)nc2c1)N1CCC[C@H](CCCO)C1 ZINC000011880113 558294697 /nfs/dbraw/zinc/29/46/97/558294697.db2.gz SVVNKEFPABQNAE-HXUWFJFHSA-N 0 0 406.526 4.628 50 0 HJAARN C[C@](O)(COc1ccccc1)c1ccc2c(c1)CN(CCCC(F)(F)F)CCO2 ZINC000011963718 558303826 /nfs/dbraw/zinc/30/38/26/558303826.db2.gz ZHHMYVGFXUHPPK-NRFANRHFSA-N 0 0 409.448 4.510 50 0 HJAARN Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)nnn1-c1ccc(OC(F)F)cc1 ZINC000019911277 558306617 /nfs/dbraw/zinc/30/66/17/558306617.db2.gz UDYWPUPOMIXCSS-UHFFFAOYSA-N 0 0 413.211 4.736 50 0 HJAARN CN(Cc1nc(C(c2ccccc2)c2ccccc2)no1)C[C@@H]1Cc2ccccc2O1 ZINC000012004769 558308898 /nfs/dbraw/zinc/30/88/98/558308898.db2.gz KFTVPGRVEPGHKN-QFIPXVFZSA-N 0 0 411.505 4.685 50 0 HJAARN CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(C(=O)[C@H]2CC23CCC3)CC1 ZINC000012004858 558308930 /nfs/dbraw/zinc/30/89/30/558308930.db2.gz OSKHWKUXMWZVHE-GOSISDBHSA-N 0 0 423.475 4.610 50 0 HJAARN CN(C(=O)c1cc(COc2cccc3cccnc32)on1)[C@@H]1CCCc2ccccc21 ZINC000012052488 558314625 /nfs/dbraw/zinc/31/46/25/558314625.db2.gz VAPNYGLPWOAPBV-JOCHJYFZSA-N 0 0 413.477 4.951 50 0 HJAARN Cc1n[nH]c(C)c1CN(C)Cc1cn(-c2ccc(C)cc2)nc1-c1ccc(F)cc1 ZINC000012073236 558318254 /nfs/dbraw/zinc/31/82/54/558318254.db2.gz LCPHCVYMJHSPLV-UHFFFAOYSA-N 0 0 403.505 4.959 50 0 HJAARN CCN(C(=O)CSc1nnc(-c2ccccc2C)n1C)c1nc2ccccc2s1 ZINC000020068439 558330245 /nfs/dbraw/zinc/33/02/45/558330245.db2.gz WPUMVQPASFSEJI-UHFFFAOYSA-N 0 0 423.567 4.545 50 0 HJAARN O=C1Nc2ccccc2[C@]12Oc1ccccc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000012124618 558331078 /nfs/dbraw/zinc/33/10/78/558331078.db2.gz QBOVYOUGOKOQIY-OFNKIYASSA-N 0 0 401.853 4.689 50 0 HJAARN O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc(-c2ccccc2)cc1 ZINC000012136944 558333939 /nfs/dbraw/zinc/33/39/39/558333939.db2.gz JBTDVYNAOSKZSD-OAQYLSRUSA-N 0 0 400.478 4.515 50 0 HJAARN O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccccc1Br ZINC000012138216 558334385 /nfs/dbraw/zinc/33/43/85/558334385.db2.gz UMVIWQZRZQYNGC-UHFFFAOYSA-N 0 0 401.304 4.718 50 0 HJAARN O=c1oc2c(cc(Cl)c3c2CN(CCc2ccc(F)cc2)CO3)c2c1CCCC2 ZINC000020358175 558357756 /nfs/dbraw/zinc/35/77/56/558357756.db2.gz ZNARJEQJVBCBND-UHFFFAOYSA-N 0 0 413.876 4.859 50 0 HJAARN CC(C)c1nc2cc(C(=O)N3CCC(c4nc5cc(F)ccc5[nH]4)CC3)ccc2o1 ZINC000012298263 558368506 /nfs/dbraw/zinc/36/85/06/558368506.db2.gz NQHOWSATLVNNPM-UHFFFAOYSA-N 0 0 406.461 4.986 50 0 HJAARN Cc1ccc(C)c(OCc2cc(C(=O)N(C)Cc3ccc4ccccc4n3)no2)c1 ZINC000012299002 558368969 /nfs/dbraw/zinc/36/89/69/558368969.db2.gz CKGJPKGHCSQVCU-UHFFFAOYSA-N 0 0 401.466 4.691 50 0 HJAARN CC(C)Oc1ccc(C(=O)N2CCC(CO)(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000012299108 558369165 /nfs/dbraw/zinc/36/91/65/558369165.db2.gz NWYPHLKFQIDLEK-UHFFFAOYSA-N 0 0 401.934 4.585 50 0 HJAARN COc1cc(-c2nc(CN3CCCC[C@H]3c3cccnc3)c(C)o2)cc2c1OCO2 ZINC000012304402 558373574 /nfs/dbraw/zinc/37/35/74/558373574.db2.gz VKACBXYGVDOHSH-IBGZPJMESA-N 0 0 407.470 4.510 50 0 HJAARN C[C@@H](c1ccon1)N(C)C(=O)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12 ZINC000012317859 558381098 /nfs/dbraw/zinc/38/10/98/558381098.db2.gz ZFTDXNZMJUDVTC-NSHDSACASA-N 0 0 420.416 4.903 50 0 HJAARN CCc1noc(C)c1C(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1cccc(C)n1 ZINC000012319854 558381928 /nfs/dbraw/zinc/38/19/28/558381928.db2.gz FAHVWZVJSWEDBU-QHCPKHFHSA-N 0 0 400.482 4.518 50 0 HJAARN O=S(=O)(NCc1coc(-c2cccs2)n1)c1ccc(Cl)cc1C(F)(F)F ZINC000010683726 558386018 /nfs/dbraw/zinc/38/60/18/558386018.db2.gz GJEGAYSGBIRCMJ-UHFFFAOYSA-N 0 0 422.837 4.554 50 0 HJAARN Cc1cc(C(=O)N2CCCC2)n(-c2nc(-c3ccc(Cl)cc3Cl)cs2)n1 ZINC000020606856 558388226 /nfs/dbraw/zinc/38/82/26/558388226.db2.gz FQHSAEQJOOMNSC-UHFFFAOYSA-N 0 0 407.326 4.847 50 0 HJAARN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000012373303 558390611 /nfs/dbraw/zinc/39/06/11/558390611.db2.gz SVRPPTDNIQCWON-UHFFFAOYSA-N 0 0 403.906 4.578 50 0 HJAARN O=C(c1cc(COc2ccc3c(c2)CCCC3)on1)N1CCCC[C@H]1c1cccnc1 ZINC000012373416 558390747 /nfs/dbraw/zinc/39/07/47/558390747.db2.gz KOUDXYYITPCQNQ-DEOSSOPVSA-N 0 0 417.509 4.895 50 0 HJAARN Cn1c2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020615190 558392291 /nfs/dbraw/zinc/39/22/91/558392291.db2.gz YWGOCXKARDAXFX-UHFFFAOYSA-N 0 0 406.216 4.984 50 0 HJAARN Cc1noc(C)c1COc1cccc(C(=O)Nc2ccn(Cc3ccccc3C)n2)c1 ZINC000020617578 558393851 /nfs/dbraw/zinc/39/38/51/558393851.db2.gz LOLDRJBUXPGEIH-UHFFFAOYSA-N 0 0 416.481 4.676 50 0 HJAARN COc1cc(C(=O)N[C@H](C)Cc2ccc3oc4ccccc4c3c2)cc(OC)c1OC ZINC000012401838 558397512 /nfs/dbraw/zinc/39/75/12/558397512.db2.gz MIDCPZNPCJUMAQ-OAHLLOKOSA-N 0 0 419.477 4.973 50 0 HJAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000012419433 558403048 /nfs/dbraw/zinc/40/30/48/558403048.db2.gz MJVGAHJLDCFNMM-HOTGVXAUSA-N 0 0 400.500 4.558 50 0 HJAARN O=C(Nc1ccc2c(c1)OCO2)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000012428828 558403964 /nfs/dbraw/zinc/40/39/64/558403964.db2.gz HMWBEYYMVUNEDJ-UHFFFAOYSA-N 0 0 401.344 4.825 50 0 HJAARN CCn1nc(C)cc1C(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1cc(F)ccc1F ZINC000012430751 558405510 /nfs/dbraw/zinc/40/55/10/558405510.db2.gz ZUWMLLBCCWILHM-HSZRJFAPSA-N 0 0 420.463 4.759 50 0 HJAARN CC(C)CN1c2ccccc2[C@@]2(CC(=O)Nc3c2cnn3-c2ccc(Cl)cc2)C1=O ZINC000020738437 558408333 /nfs/dbraw/zinc/40/83/33/558408333.db2.gz ZROHDZKTTQLGLQ-HSZRJFAPSA-N 0 0 420.900 4.806 50 0 HJAARN COc1ccc(CN2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)c(OC)c1OC ZINC000012438681 558410115 /nfs/dbraw/zinc/41/01/15/558410115.db2.gz DUQBZXDLTJIMBN-INIZCTEOSA-N 0 0 417.933 4.769 50 0 HJAARN c1csc(-c2cc(-c3nn4c(nnc4-c4cnccn4)s3)c3ccccc3n2)c1 ZINC000020745869 558410773 /nfs/dbraw/zinc/41/07/73/558410773.db2.gz MBTAKXHMAJFIDH-UHFFFAOYSA-N 0 0 413.491 4.587 50 0 HJAARN O=C(CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1)NCCc1ccccc1 ZINC000012441968 558412623 /nfs/dbraw/zinc/41/26/23/558412623.db2.gz NQBKLYAYKKNIKK-UHFFFAOYSA-N 0 0 411.505 4.619 50 0 HJAARN Fc1ccc2[nH]c([C@H]3CCCCN3Cc3nc(CCc4ccccc4)no3)nc2c1 ZINC000012445376 558413380 /nfs/dbraw/zinc/41/33/80/558413380.db2.gz OKKLUZRSIDWAEI-HXUWFJFHSA-N 0 0 405.477 4.597 50 0 HJAARN COc1cc(CN2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cc2c1OCO2 ZINC000012454875 558416902 /nfs/dbraw/zinc/41/69/02/558416902.db2.gz YUNNFRFWIONAQY-INIZCTEOSA-N 0 0 421.415 4.538 50 0 HJAARN Cc1cc(C)c(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)N(Cc2ccco2)C3=O)c(O)c1 ZINC000020868160 558418116 /nfs/dbraw/zinc/41/81/16/558418116.db2.gz YJWWECWHAXFVGY-QHCPKHFHSA-N 0 0 417.440 4.877 50 0 HJAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)NCCC(C)C)cc1 ZINC000020939379 558424574 /nfs/dbraw/zinc/42/45/74/558424574.db2.gz FYICMACCRVDTJL-UHFFFAOYSA-N 0 0 412.559 4.619 50 0 HJAARN CN(Cc1nc2ccccc2[nH]1)Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000020994719 558426657 /nfs/dbraw/zinc/42/66/57/558426657.db2.gz GIPQOFAKUOVFMR-UHFFFAOYSA-N 0 0 409.493 4.758 50 0 HJAARN CC(=O)c1sc(-c2nnn(-c3ccc(OCc4ccccc4)cc3)c2C)nc1C ZINC000021147642 558432358 /nfs/dbraw/zinc/43/23/58/558432358.db2.gz XHIKMMCSRMKLTN-UHFFFAOYSA-N 0 0 404.495 4.789 50 0 HJAARN CCOc1cccc2cc(-c3csc(NC(=O)[C@@H]4COc5ccccc5O4)n3)oc21 ZINC000010750247 558436747 /nfs/dbraw/zinc/43/67/47/558436747.db2.gz GEQYEUNBEPGHBL-IBGZPJMESA-N 0 0 422.462 4.734 50 0 HJAARN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)[C@H]2CC23CCCC3)CC1 ZINC000012612664 558438918 /nfs/dbraw/zinc/43/89/18/558438918.db2.gz UTMQKGVUKMQXMD-LJQANCHMSA-N 0 0 403.950 4.635 50 0 HJAARN O=C(Oc1c(CN2CCOCC2)cc(Cl)c2cccnc21)c1ccc(Cl)cc1 ZINC000021486780 558439459 /nfs/dbraw/zinc/43/94/59/558439459.db2.gz WBFUQVRXQQQTRV-UHFFFAOYSA-N 0 0 417.292 4.593 50 0 HJAARN Cc1ccc(-n2c(SCC(=O)N3CCCC3)nnc2-c2ccccc2Cl)cc1 ZINC000004354959 558441788 /nfs/dbraw/zinc/44/17/88/558441788.db2.gz ZBVMDHXDDGHUIV-UHFFFAOYSA-N 0 0 412.946 4.611 50 0 HJAARN O=C(CSc1nc2ccccc2o1)N1CCS[C@H](c2cc(F)ccc2F)CC1 ZINC000219309010 558443239 /nfs/dbraw/zinc/44/32/39/558443239.db2.gz SJHUNPUZHYSPGI-SFHVURJKSA-N 0 0 420.506 4.905 50 0 HJAARN CCOC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1OC ZINC000004356257 558443720 /nfs/dbraw/zinc/44/37/20/558443720.db2.gz LUAVDKMKAQKSHF-CYBMUJFWSA-N 0 0 417.918 4.640 50 0 HJAARN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)COc1ccc2ccccc2c1 ZINC000012655038 558444532 /nfs/dbraw/zinc/44/45/32/558444532.db2.gz PLNUXRPLLRGBIT-UHFFFAOYSA-N 0 0 407.857 4.581 50 0 HJAARN COc1cccc(-c2ccc(SCC(=O)Nc3cc(Cl)ccc3OC)nn2)c1 ZINC000004356475 558444651 /nfs/dbraw/zinc/44/46/51/558444651.db2.gz RDAGHHDCHFVKKR-UHFFFAOYSA-N 0 0 415.902 4.545 50 0 HJAARN Cc1nc(C)c(-c2ccc(SCC(=O)Nc3ccc(C)c(Cl)c3)nn2)s1 ZINC000004358387 558446630 /nfs/dbraw/zinc/44/66/30/558446630.db2.gz RVHQBGFXQLYLIT-UHFFFAOYSA-N 0 0 404.948 4.910 50 0 HJAARN Cc1c2cc(F)ccc2oc1C(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1 ZINC000021711736 558446712 /nfs/dbraw/zinc/44/67/12/558446712.db2.gz ZSRYOJSYYSOSNY-UHFFFAOYSA-N 0 0 406.413 4.754 50 0 HJAARN Cc1ccc(NC(=O)CCc2nc(CSc3nc4ccccc4o3)no2)cc1C ZINC000021721800 558446932 /nfs/dbraw/zinc/44/69/32/558446932.db2.gz LKSMXPMPRZUJKB-UHFFFAOYSA-N 0 0 408.483 4.691 50 0 HJAARN O=C(CCc1ccccc1)[C@@H]1CCCN(Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000012703409 558448518 /nfs/dbraw/zinc/44/85/18/558448518.db2.gz MJFUTEZAJGHZBF-LJQANCHMSA-N 0 0 409.917 4.804 50 0 HJAARN Cc1cc(NC[C@H]2CCCO2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 ZINC000021790476 558448936 /nfs/dbraw/zinc/44/89/36/558448936.db2.gz PZAAIIGBISJMNK-CQSZACIVSA-N 0 0 410.827 4.968 50 0 HJAARN COc1ccc(F)c(-c2nc(CN3CCC[C@@H](OCc4ccccc4)C3)c(C)o2)c1 ZINC000012704035 558448978 /nfs/dbraw/zinc/44/89/78/558448978.db2.gz IZVWLYQWLFBFBV-HXUWFJFHSA-N 0 0 410.489 4.979 50 0 HJAARN O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1cc(-c2cccs2)on1 ZINC000021805447 558450589 /nfs/dbraw/zinc/45/05/89/558450589.db2.gz WSORETWKEXYVDF-QGZVFWFLSA-N 0 0 401.919 4.623 50 0 HJAARN COc1cccc(-c2ccc(NC(=O)[C@H]3CCCN(C(=O)C4=CCCC4)C3)cc2)c1 ZINC000012719034 558456433 /nfs/dbraw/zinc/45/64/33/558456433.db2.gz MNNZEMPDJOAYER-NRFANRHFSA-N 0 0 404.510 4.650 50 0 HJAARN Cc1cccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)OCc2ccccc2)c1 ZINC000022033042 558459194 /nfs/dbraw/zinc/45/91/94/558459194.db2.gz WTBCIBUBSUMFGB-HSZRJFAPSA-N 0 0 400.478 4.697 50 0 HJAARN Cc1ncsc1CCC(=O)N1CCC[C@@H](C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000012755214 558459829 /nfs/dbraw/zinc/45/98/29/558459829.db2.gz HVYDUMUHFOPYFT-LJQANCHMSA-N 0 0 418.562 4.757 50 0 HJAARN Cn1nc(-c2cccs2)cc1C(=O)N1CCS[C@H](c2cc(F)ccc2F)CC1 ZINC000219325350 558461480 /nfs/dbraw/zinc/46/14/80/558461480.db2.gz FNXMQPBYVRAPDQ-SFHVURJKSA-N 0 0 419.522 4.747 50 0 HJAARN COc1ccc(-c2nnc([C@H](C)Sc3nc(C)c(C)n3C[C@@H]3CCCO3)o2)cc1 ZINC000022131509 558463960 /nfs/dbraw/zinc/46/39/60/558463960.db2.gz MIDKKYKMUJEHHT-YJBOKZPZSA-N 0 0 414.531 4.591 50 0 HJAARN COc1ccc(-c2nnc([C@H](C)Sc3nc(C)c(C)n3C[C@H]3CCCO3)o2)cc1 ZINC000022131511 558463964 /nfs/dbraw/zinc/46/39/64/558463964.db2.gz MIDKKYKMUJEHHT-MAUKXSAKSA-N 0 0 414.531 4.591 50 0 HJAARN COc1ccc(-c2nnc([C@@H](C)Sc3nc(C)c(C)n3C[C@H]3CCCO3)o2)cc1 ZINC000022131510 558463967 /nfs/dbraw/zinc/46/39/67/558463967.db2.gz MIDKKYKMUJEHHT-CRAIPNDOSA-N 0 0 414.531 4.591 50 0 HJAARN COc1ccc(-c2nc(C(=O)N(C)Cc3ccc(SC)cc3)cs2)cc1OC ZINC000012799292 558471053 /nfs/dbraw/zinc/47/10/53/558471053.db2.gz WNBIPTCUCRCVQY-UHFFFAOYSA-N 0 0 414.552 4.821 50 0 HJAARN O=C([C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CCN(Cc2ccccc2)CC1 ZINC000012807170 558474165 /nfs/dbraw/zinc/47/41/65/558474165.db2.gz FYKZCIILUHSYDV-SFTDATJTSA-N 0 0 417.578 4.691 50 0 HJAARN Cc1nc(-c2cccs2)ccc1C(=O)OCC(=O)N(C)Cc1ccc(Cl)s1 ZINC000022283959 558476239 /nfs/dbraw/zinc/47/62/39/558476239.db2.gz FYRVKXPQRTYMHP-UHFFFAOYSA-N 0 0 420.943 4.649 50 0 HJAARN O=C(Nc1cnn(C23CC4CC(CC(C4)C2)C3)c1)c1cc(-c2ccccc2F)no1 ZINC000012847945 558478879 /nfs/dbraw/zinc/47/88/79/558478879.db2.gz LTROQPYETRDVPS-UHFFFAOYSA-N 0 0 406.461 4.855 50 0 HJAARN Cc1nc(-c2ccc(C)cc2)sc1CCNC(=O)C(=O)Nc1c(C)cc(C)cc1C ZINC000004392813 558485492 /nfs/dbraw/zinc/48/54/92/558485492.db2.gz JYABZJJXVWKPDO-UHFFFAOYSA-N 0 0 421.566 4.650 50 0 HJAARN COc1ccccc1CCC(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000012972210 558489362 /nfs/dbraw/zinc/48/93/62/558489362.db2.gz KTSILWWACNQNAQ-UHFFFAOYSA-N 0 0 411.889 4.522 50 0 HJAARN COc1ccc2c(C)c(CCC(=O)Nc3cc(Cl)ccc3Cl)c(=O)oc2c1 ZINC000012979180 558492743 /nfs/dbraw/zinc/49/27/43/558492743.db2.gz VZISSSFYKPJLLT-UHFFFAOYSA-N 0 0 406.265 4.988 50 0 HJAARN COc1cc(Cl)c(C)cc1NC(=O)CN(C)[C@H](C)c1nc2ccccc2s1 ZINC000012980670 558493321 /nfs/dbraw/zinc/49/33/21/558493321.db2.gz NEDFZQPQVZLNST-CYBMUJFWSA-N 0 0 403.935 4.898 50 0 HJAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3)C2)c2ccccc12 ZINC000012994813 558498149 /nfs/dbraw/zinc/49/81/49/558498149.db2.gz XMIRTVGWUYCFAT-MRXNPFEDSA-N 0 0 422.912 4.993 50 0 HJAARN COc1cccc(CC(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)c1 ZINC000013002961 558501049 /nfs/dbraw/zinc/50/10/49/558501049.db2.gz RSUDMCXXMPMTNL-UHFFFAOYSA-N 0 0 410.905 4.515 50 0 HJAARN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccsc3)ccc2C)cc1 ZINC000022628341 558503430 /nfs/dbraw/zinc/50/34/30/558503430.db2.gz ZRDBUPMPHMDASL-UHFFFAOYSA-N 0 0 416.524 4.508 50 0 HJAARN CCOc1ccccc1NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000013013824 558503678 /nfs/dbraw/zinc/50/36/78/558503678.db2.gz XMLSMIJTZAQZBH-HDICACEKSA-N 0 0 410.514 4.506 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cc1Cl ZINC000013021022 558504670 /nfs/dbraw/zinc/50/46/70/558504670.db2.gz RVJQWQVVFVAVFV-UHFFFAOYSA-N 0 0 403.269 4.698 50 0 HJAARN COc1ccc2cc(COC(=O)[C@@H](C)Oc3ccc(C(C)=O)cc3)c(Cl)nc2c1 ZINC000013058952 558509493 /nfs/dbraw/zinc/50/94/93/558509493.db2.gz IVMRHCMLELKWDY-CQSZACIVSA-N 0 0 413.857 4.610 50 0 HJAARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)CSCc1ccccc1C ZINC000022832168 558515515 /nfs/dbraw/zinc/51/55/15/558515515.db2.gz QWNFHFROHSWPKC-UHFFFAOYSA-N 0 0 413.461 4.911 50 0 HJAARN O=C(CNC(=O)c1ccccc1Br)Nc1ccc2oc3ccccc3c2c1 ZINC000013134449 558520801 /nfs/dbraw/zinc/52/08/01/558520801.db2.gz JHJGJYFBNWABQH-UHFFFAOYSA-N 0 0 423.266 4.717 50 0 HJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(F)cc2)N1c1ccccn1 ZINC000013228279 558527470 /nfs/dbraw/zinc/52/74/70/558527470.db2.gz BSGSLIOIYUMAHO-LJQANCHMSA-N 0 0 406.800 4.730 50 0 HJAARN CCc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(C)cc4)cc23)cc1 ZINC000023119233 558535203 /nfs/dbraw/zinc/53/52/03/558535203.db2.gz KKAGKKXRNSNJOF-UHFFFAOYSA-N 0 0 402.523 4.998 50 0 HJAARN COc1ccc(C(C)=O)cc1CC(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000023132115 558537323 /nfs/dbraw/zinc/53/73/23/558537323.db2.gz BEVAHNAYECERJK-UHFFFAOYSA-N 0 0 403.434 4.987 50 0 HJAARN COc1ccc2c(C)c(CC(=O)Nc3cc(Cl)cc(Cl)c3)c(=O)oc2c1OC ZINC000013575881 558543390 /nfs/dbraw/zinc/54/33/90/558543390.db2.gz QEAWVZNFKDIVRF-UHFFFAOYSA-N 0 0 422.264 4.607 50 0 HJAARN CSCC[C@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1nnc2ccccn21 ZINC000013592208 558546415 /nfs/dbraw/zinc/54/64/15/558546415.db2.gz BIVBJFKWTWKWQH-BVBGJJFLSA-N 0 0 421.353 4.660 50 0 HJAARN COc1ccccc1/C=C1\SC(=O)N(CNc2cccc(Br)c2)C1=O ZINC000013602641 558547825 /nfs/dbraw/zinc/54/78/25/558547825.db2.gz BDDADOZCAVHZKE-SXGWCWSVSA-N 0 0 419.300 4.564 50 0 HJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)CC(C)C)c2)n(-c2ccc(OC)cc2)n1 ZINC000023335953 558549712 /nfs/dbraw/zinc/54/97/12/558549712.db2.gz VNEHWIBGTFREJX-UHFFFAOYSA-N 0 0 421.497 4.709 50 0 HJAARN COC(=O)c1ccccc1NC(=O)N1CCc2ccccc2[C@@H]1c1ccc(F)cc1 ZINC000023334183 558549794 /nfs/dbraw/zinc/54/97/94/558549794.db2.gz VCDQTGYEZKTTLE-QFIPXVFZSA-N 0 0 404.441 4.792 50 0 HJAARN Cc1nn(C)c(Cl)c1CN1CCc2c3ccccc3[nH]c2[C@@H]1c1cccc(O)c1 ZINC000023337753 558549948 /nfs/dbraw/zinc/54/99/48/558549948.db2.gz OKZIWXPBJYCNCC-QFIPXVFZSA-N 0 0 406.917 4.717 50 0 HJAARN Cc1cc2oc(C(=O)Nc3nonc3-c3ccc4c(c3)CCCC4)cc(=O)c2cc1C ZINC000013653749 558558401 /nfs/dbraw/zinc/55/84/01/558558401.db2.gz IZNCIVKHRUVXNP-UHFFFAOYSA-N 0 0 415.449 4.591 50 0 HJAARN CCOC(=O)c1nc(C)nc(Sc2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)c1C ZINC000013658837 558559279 /nfs/dbraw/zinc/55/92/79/558559279.db2.gz OBDJIDVBIOKKPL-UHFFFAOYSA-N 0 0 411.531 4.504 50 0 HJAARN Cc1ccn2c(=O)cc(CSc3ncnc4scc(-c5ccccc5)c43)nc2c1 ZINC000023561338 558562362 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GFJMHDRHZWRURK-GOSISDBHSA-N 0 0 408.571 4.534 50 0 HJAARN Cc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3ccccc3Cl)cs2)cc1 ZINC000028288813 558695700 /nfs/dbraw/zinc/69/57/00/558695700.db2.gz XKBCPHGOHTYQIQ-OAHLLOKOSA-N 0 0 400.931 4.898 50 0 HJAARN CCCOc1cc2sc(NC(=O)COc3ccc(OC)cc3)nc2c2cccnc12 ZINC000028291195 558697414 /nfs/dbraw/zinc/69/74/14/558697414.db2.gz UYWIZWYAUDAHFV-UHFFFAOYSA-N 0 0 423.494 4.659 50 0 HJAARN CCCOc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N1CCOCC1 ZINC000028292074 558697904 /nfs/dbraw/zinc/69/79/04/558697904.db2.gz ZERQPOPCOBHWPU-QHCPKHFHSA-N 0 0 424.585 4.576 50 0 HJAARN COc1cc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)cc(Cl)c1O ZINC000015011019 558700334 /nfs/dbraw/zinc/70/03/34/558700334.db2.gz AUGLCNPBSQKXFL-ATVHPVEESA-N 0 0 403.887 4.723 50 0 HJAARN O=C(c1ccc(CSc2ccccc2)o1)N1CCC[C@@H]1c1nnc2ccccn21 ZINC000028499790 558701892 /nfs/dbraw/zinc/70/18/92/558701892.db2.gz KBPLRFGZRYDAJZ-GOSISDBHSA-N 0 0 404.495 4.592 50 0 HJAARN COc1ccc2nc(C(=O)Nc3nc(-c4ccc(OC)cc4OC)cs3)ccc2c1 ZINC000028641021 558702988 /nfs/dbraw/zinc/70/29/88/558702988.db2.gz LYWLBIZKERUYJD-UHFFFAOYSA-N 0 0 421.478 4.636 50 0 HJAARN CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1cc2ccccc2o1 ZINC000015019315 558703295 /nfs/dbraw/zinc/70/32/95/558703295.db2.gz SBDLHJXRTBXQMF-HNNXBMFYSA-N 0 0 406.511 4.681 50 0 HJAARN CSc1ccc(Cl)c(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000015027629 558703471 /nfs/dbraw/zinc/70/34/71/558703471.db2.gz LKMQCDSEPBZMBC-UHFFFAOYSA-N 0 0 424.275 4.971 50 0 HJAARN O=C(c1csc(-c2cnn(-c3ccccc3)c2)n1)N1CCC(OC2CCCC2)CC1 ZINC000072278806 558704222 /nfs/dbraw/zinc/70/42/22/558704222.db2.gz SOJDBSYVPHRIQI-UHFFFAOYSA-N 0 0 422.554 4.560 50 0 HJAARN Cc1nc(C2(NC(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)CCCCC2)no1 ZINC000029058123 558708980 /nfs/dbraw/zinc/70/89/80/558708980.db2.gz VKNJOEAWNABRPM-UHFFFAOYSA-N 0 0 424.115 4.976 50 0 HJAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3sccc3C)C2)cc1Cl ZINC000015066343 558709127 /nfs/dbraw/zinc/70/91/27/558709127.db2.gz IIZRGIZOHCWZBA-OAHLLOKOSA-N 0 0 420.962 4.990 50 0 HJAARN Cc1ccoc1C(=O)N1CCC(CCC(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000015072132 558713441 /nfs/dbraw/zinc/71/34/41/558713441.db2.gz NGNSQCRNVRNPGO-UHFFFAOYSA-N 0 0 422.447 4.556 50 0 HJAARN Cc1ccc(OCC(=O)Nc2ccc(Br)cc2C)c2c1[C@H](C)CC2=O ZINC000011052834 558718753 /nfs/dbraw/zinc/71/87/53/558718753.db2.gz XVOJPGHFHPOIQP-CYBMUJFWSA-N 0 0 402.288 4.773 50 0 HJAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)CS[C@@H]4c3ccccc3)sc2c1 ZINC000015084867 558720236 /nfs/dbraw/zinc/72/02/36/558720236.db2.gz YHUBHIDBPRCPAX-LJQANCHMSA-N 0 0 422.535 4.574 50 0 HJAARN Cc1nn(CC(C)C)c(Cl)c1C(=O)O[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000029795810 558721322 /nfs/dbraw/zinc/72/13/22/558721322.db2.gz MKDRHDUWTOZZQZ-INIZCTEOSA-N 0 0 405.926 4.610 50 0 HJAARN CCCc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccccc3C)C2=O)cc1 ZINC000004555224 558724127 /nfs/dbraw/zinc/72/41/27/558724127.db2.gz JJYTZASBZQONBY-HHHXNRCGSA-N 0 0 413.517 4.955 50 0 HJAARN Cc1csc(SCc2ccc(C(=O)N3CCN(C)C[C@H]3c3ccccc3)cc2)n1 ZINC000030030461 558726707 /nfs/dbraw/zinc/72/67/07/558726707.db2.gz JWFPLTBPJUHTQQ-NRFANRHFSA-N 0 0 423.607 4.873 50 0 HJAARN O=C(CCSc1ccc(Cl)cc1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000015182279 558727164 /nfs/dbraw/zinc/72/71/64/558727164.db2.gz OBTFEQFDOVVLQY-UHFFFAOYSA-N 0 0 402.947 4.700 50 0 HJAARN O=C(COc1ccc(Oc2ccccn2)cc1)N(Cc1ccco1)Cc1ccco1 ZINC000030469860 558730517 /nfs/dbraw/zinc/73/05/17/558730517.db2.gz IWFUHHHYZXAFTM-UHFFFAOYSA-N 0 0 404.422 4.668 50 0 HJAARN c1ccc2c(c1)nc(C1CC1)nc2SC[C@H]1CSc2nnc(-c3cccnc3)n21 ZINC000030572479 558733142 /nfs/dbraw/zinc/73/31/42/558733142.db2.gz BAGVPPWRFNCLPX-HNNXBMFYSA-N 0 0 418.551 4.600 50 0 HJAARN CN(Cc1nc2ccccc2[nH]1)C(=O)c1csc(COc2ccc(Cl)cc2)n1 ZINC000030660081 558735114 /nfs/dbraw/zinc/73/51/14/558735114.db2.gz BZOBXNNRYXUVNE-UHFFFAOYSA-N 0 0 412.902 4.524 50 0 HJAARN Cc1cc(C)cc(OCCOC(=O)c2ccccc2C(=O)N(C)c2ccccc2)c1 ZINC000015354866 558735381 /nfs/dbraw/zinc/73/53/81/558735381.db2.gz VDEROFVIXAHXHZ-UHFFFAOYSA-N 0 0 403.478 4.816 50 0 HJAARN Cc1ccc([C@@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccc(C)cc2C)o1 ZINC000015412402 558738110 /nfs/dbraw/zinc/73/81/10/558738110.db2.gz HBHCJGDBKYESDQ-XMMPIXPASA-N 0 0 402.494 4.943 50 0 HJAARN COc1ccc([C@@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2ccc(C)c(C)c2)cc1 ZINC000015413303 558738535 /nfs/dbraw/zinc/73/85/35/558738535.db2.gz DTFRYUUSCRADRQ-RUZDIDTESA-N 0 0 414.505 4.742 50 0 HJAARN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c(Br)c1 ZINC000015426187 558739779 /nfs/dbraw/zinc/73/97/79/558739779.db2.gz UAVASKMDKFXCTG-HNNXBMFYSA-N 0 0 416.319 4.640 50 0 HJAARN O=C(Cc1cnn(-c2ccccc2)c1)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000032900156 558741989 /nfs/dbraw/zinc/74/19/89/558741989.db2.gz FMVGCQAHZLVSFS-XMMPIXPASA-N 0 0 420.516 4.844 50 0 HJAARN CCOc1cc(-c2ccccc2)sc1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000071926831 558744639 /nfs/dbraw/zinc/74/46/39/558744639.db2.gz PYMDKULRPFMJET-ZDUSSCGKSA-N 0 0 408.479 4.786 50 0 HJAARN Cc1csc(SCc2ccc(C(=O)Nc3ccc(C(=O)N(C)C)cc3)cc2)n1 ZINC000030948179 558746809 /nfs/dbraw/zinc/74/68/09/558746809.db2.gz NKVWAUULHAEFIM-UHFFFAOYSA-N 0 0 411.552 4.698 50 0 HJAARN CCOc1ccc([C@@H](CNC(=O)c2ccco2)c2c[nH]c3ccccc32)cc1OC ZINC000015670778 558748173 /nfs/dbraw/zinc/74/81/73/558748173.db2.gz MLXJIFHITMIZBZ-GOSISDBHSA-N 0 0 404.466 4.730 50 0 HJAARN Cc1c(C(=O)N(C)[C@H](C)c2cccc(-c3ccncc3)c2)nnn1-c1ccc(F)cc1 ZINC000072295522 558748689 /nfs/dbraw/zinc/74/86/89/558748689.db2.gz BOGCHJBVQMBXDK-MRXNPFEDSA-N 0 0 415.472 4.610 50 0 HJAARN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N(c1ccccc1F)C1CCCC1 ZINC000072300865 558750528 /nfs/dbraw/zinc/75/05/28/558750528.db2.gz ZBXOJDNSJQSVCF-UHFFFAOYSA-N 0 0 421.520 4.553 50 0 HJAARN COc1ccc2[nH]cc(C3=CCN(c4nc(-c5cccc(OC)c5)no4)CC3)c2c1 ZINC000072301812 558751958 /nfs/dbraw/zinc/75/19/58/558751958.db2.gz JYALYBKQTDZYPT-UHFFFAOYSA-N 0 0 402.454 4.529 50 0 HJAARN O=C(c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F)N1CCC[C@@H]1c1ccco1 ZINC000015835876 558755950 /nfs/dbraw/zinc/75/59/50/558755950.db2.gz QJHCLAQFGRFSHQ-CQSZACIVSA-N 0 0 416.359 4.578 50 0 HJAARN O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H]1c1ccc(I)cc1 ZINC000072303778 558756529 /nfs/dbraw/zinc/75/65/29/558756529.db2.gz HYZHAULMGICIEH-GOSISDBHSA-N 0 0 416.262 4.750 50 0 HJAARN COc1cc(Cl)cc2c1OC=CC(C(=O)Nc1ccc(C(=O)OC(C)C)cc1)=C2 ZINC000015838719 558756537 /nfs/dbraw/zinc/75/65/37/558756537.db2.gz GWOWOKNCXCPSJD-UHFFFAOYSA-N 0 0 413.857 4.842 50 0 HJAARN Cc1c(C(=O)N2c3ccccc3N(C(=O)OC(C)(C)C)C[C@@H]2C)oc2c1C(=O)CCC2 ZINC000072305140 558757868 /nfs/dbraw/zinc/75/78/68/558757868.db2.gz GWDPOTNIXXVYEE-AWEZNQCLSA-N 0 0 424.497 4.897 50 0 HJAARN COc1ccc(Cc2nc3ccccc3n2C[C@@H](O)COc2cc(C)ccc2C)cc1 ZINC000015860788 558758616 /nfs/dbraw/zinc/75/86/16/558758616.db2.gz IJUFDUTYXKOJSC-OAQYLSRUSA-N 0 0 416.521 4.692 50 0 HJAARN Cc1cccc(OCc2nc3ccccc3n2C[C@H](O)COc2cc(C)cc(C)c2)c1 ZINC000015860773 558758633 /nfs/dbraw/zinc/75/86/33/558758633.db2.gz MDZJKSUMOZYJBX-NRFANRHFSA-N 0 0 416.521 4.980 50 0 HJAARN COc1ccc(Cc2nc3ccccc3n2C[C@H](O)COc2cc(C)ccc2C)cc1 ZINC000015860789 558758649 /nfs/dbraw/zinc/75/86/49/558758649.db2.gz IJUFDUTYXKOJSC-NRFANRHFSA-N 0 0 416.521 4.692 50 0 HJAARN CCSc1nnc2c(n1)O[C@H](c1ccccc1C)N(C(C)=O)c1ccc(F)cc1-2 ZINC000032997878 558759019 /nfs/dbraw/zinc/75/90/19/558759019.db2.gz ZKLLGVBSEIEIAF-HXUWFJFHSA-N 0 0 410.474 4.542 50 0 HJAARN CCC(=O)N1c2ccc(Cl)cc2-c2nnc(SC)nc2O[C@H]1c1ccccc1 ZINC000032998136 558759235 /nfs/dbraw/zinc/75/92/35/558759235.db2.gz HRVODARRUJZXNF-IBGZPJMESA-N 0 0 412.902 4.748 50 0 HJAARN COc1ccc(CNC(=O)c2cccc(Nc3ccc(-c4ccccc4)nn3)c2)cc1 ZINC000033258029 558762897 /nfs/dbraw/zinc/76/28/97/558762897.db2.gz QHCYZCZLLLCGJE-UHFFFAOYSA-N 0 0 410.477 4.826 50 0 biogenic HJAARN O=C(NCc1ccc2c(c1)OCO2)c1cccc(Nc2ccc(-c3ccccc3)nn2)c1 ZINC000033258026 558762999 /nfs/dbraw/zinc/76/29/99/558762999.db2.gz LWOQTKOBJKNETG-UHFFFAOYSA-N 0 0 424.460 4.546 50 0 HJAARN CCc1cc([C@@H]2CCCN2C(=O)c2cc(-c3ccc(Br)cc3)on2)on1 ZINC000033269921 558763289 /nfs/dbraw/zinc/76/32/89/558763289.db2.gz AJJJHDXPLPSDIN-INIZCTEOSA-N 0 0 416.275 4.632 50 0 HJAARN COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCC2)cc(OC)c1O ZINC000071284690 558765574 /nfs/dbraw/zinc/76/55/74/558765574.db2.gz MXPVTTUGLJIUTH-SFHVURJKSA-N 0 0 403.504 4.703 50 0 HJAARN O=C(c1nc(Cl)ccc1Cl)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000016014793 558767178 /nfs/dbraw/zinc/76/71/78/558767178.db2.gz MQWQSOZMOLOCDN-UHFFFAOYSA-N 0 0 423.687 4.897 50 0 HJAARN c1ccc2c(c1)-c1ccccc1C2Sc1nnc(NCCCN2CCOCC2)s1 ZINC000016046192 558770406 /nfs/dbraw/zinc/77/04/06/558770406.db2.gz WDEKVYZGGVIDHX-UHFFFAOYSA-N 0 0 424.595 4.534 50 0 HJAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cncc(Br)c1 ZINC000000945188 558774738 /nfs/dbraw/zinc/77/47/38/558774738.db2.gz ZIOHDRJEHFEQCL-UHFFFAOYSA-N 0 0 415.674 4.981 50 0 HJAARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1cccc(C(F)(F)F)c1 ZINC000060238208 558776781 /nfs/dbraw/zinc/77/67/81/558776781.db2.gz FZCOZXMZHVJQPP-UHFFFAOYSA-N 0 0 422.410 4.883 50 0 HJAARN O=C(N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1)c1csc(-c2ccsc2)n1 ZINC000072309916 558778627 /nfs/dbraw/zinc/77/86/27/558778627.db2.gz NMADBFLAIQNERE-OALUTQOASA-N 0 0 406.536 4.727 50 0 HJAARN COc1ccc([C@@H]2CCCN2Cc2nc(-c3cccc(Br)c3)no2)cc1 ZINC000016339317 558786836 /nfs/dbraw/zinc/78/68/36/558786836.db2.gz YXKRMPYKUWYCRK-SFHVURJKSA-N 0 0 414.303 4.845 50 0 HJAARN O=C(c1ccc(C(=O)N2CC[C@@H](c3ccccc3)C2)cc1)N1CC[C@H](c2ccccc2)C1 ZINC000016345928 558787046 /nfs/dbraw/zinc/78/70/46/558787046.db2.gz YTUFKZZYOYOVLX-WMPKNSHKSA-N 0 0 424.544 4.946 50 0 HJAARN C[C@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc21)C(=O)NCc1ccco1 ZINC000004588342 558787543 /nfs/dbraw/zinc/78/75/43/558787543.db2.gz DWAROKFVMDXGCM-AWEZNQCLSA-N 0 0 407.470 4.826 50 0 HJAARN O=C(Nc1cccnc1Cl)c1cccc(N2CCCN(Cc3ccccc3)C2=O)c1 ZINC000035181162 558788935 /nfs/dbraw/zinc/78/89/35/558788935.db2.gz DFMWXBYPNWHGCJ-UHFFFAOYSA-N 0 0 420.900 4.820 50 0 HJAARN O=C1OC(c2cccc3ccccc32)=N/C1=C\c1coc2ccc(Cl)cc2c1=O ZINC000004589294 558788982 /nfs/dbraw/zinc/78/89/82/558788982.db2.gz RSWOYFGOITXNMK-GRSHGNNSSA-N 0 0 401.805 4.944 50 0 biogenic HJAARN CNc1snc(C)c1C(=O)OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 ZINC000016552453 558795749 /nfs/dbraw/zinc/79/57/49/558795749.db2.gz FAKKIIGVADTFLR-NRFANRHFSA-N 0 0 414.458 4.597 50 0 HJAARN CCOc1ccccc1Nc1nnc(SCc2cc(F)cc3c2OCOC3)s1 ZINC000016618285 558796805 /nfs/dbraw/zinc/79/68/05/558796805.db2.gz QGUOJGPPNFFYFC-UHFFFAOYSA-N 0 0 419.503 4.978 50 0 HJAARN Cc1c(NCC(C)(C)C)cccc1C(=O)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000072311894 558797209 /nfs/dbraw/zinc/79/72/09/558797209.db2.gz WJNYZCKYEXIVIP-UHFFFAOYSA-N 0 0 413.606 4.754 50 0 HJAARN CCCCOc1ccc(NC(=O)COc2ccccc2C(=O)Nc2ccccn2)cc1 ZINC000016639277 558797363 /nfs/dbraw/zinc/79/73/63/558797363.db2.gz LDJUXWYOIJENGU-UHFFFAOYSA-N 0 0 419.481 4.530 50 0 HJAARN COc1cc(CN(c2cccc(F)c2)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1 ZINC000036246328 558798459 /nfs/dbraw/zinc/79/84/59/558798459.db2.gz JHJPGFCXIFTALX-UHFFFAOYSA-N 0 0 415.486 4.547 50 0 HJAARN C[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)c(Cl)c3)c2C(N)=O)C1 ZINC000016676415 558798809 /nfs/dbraw/zinc/79/88/09/558798809.db2.gz MGWTUDJZJNCGFX-QBBOHKLWSA-N 0 0 409.338 4.931 50 0 HJAARN C[C@H](NCC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccc(Cl)cc1Cl ZINC000016695473 558801017 /nfs/dbraw/zinc/80/10/17/558801017.db2.gz JULYADSVHVHNSX-NSHDSACASA-N 0 0 409.235 4.828 50 0 HJAARN O=C(Nc1ccnn1Cc1ccc(C(F)(F)F)cc1)c1nc(Cl)ccc1Cl ZINC000016700901 558801540 /nfs/dbraw/zinc/80/15/40/558801540.db2.gz HJEWSXWVMBLGKZ-UHFFFAOYSA-N 0 0 415.202 4.904 50 0 HJAARN Cc1ccc(CNc2cnn(CCOc3ccc(Cl)cc3)c(=O)c2Cl)cc1 ZINC000016737808 558802991 /nfs/dbraw/zinc/80/29/91/558802991.db2.gz NVWKOEVAVFWLJQ-UHFFFAOYSA-N 0 0 404.297 4.550 50 0 HJAARN CC(C)CCNC(=O)[C@]1(C)CCc2ccccc2C(=O)N1Cc1ccc(Cl)cc1 ZINC000032977870 558803386 /nfs/dbraw/zinc/80/33/86/558803386.db2.gz PXEJWSBPRBPDOD-DEOSSOPVSA-N 0 0 412.961 4.850 50 0 HJAARN CC(C)CCNC(=O)[C@@]1(C)CCc2ccccc2C(=O)N1CCCc1ccccc1 ZINC000032977920 558803510 /nfs/dbraw/zinc/80/35/10/558803510.db2.gz ZWXMUCBPWDCMQL-AREMUKBSSA-N 0 0 406.570 4.629 50 0 HJAARN CCOc1ccc(N2C(=O)c3ccccc3CC[C@]2(C)C(=O)NCCC(C)C)cc1 ZINC000032977904 558803535 /nfs/dbraw/zinc/80/35/35/558803535.db2.gz ZNBPMNRSEZFBBY-RUZDIDTESA-N 0 0 408.542 4.599 50 0 HJAARN O=C(NCc1cccc(Cl)c1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)O2 ZINC000032984030 558805064 /nfs/dbraw/zinc/80/50/64/558805064.db2.gz PZRKMRORJJZSPE-MTJSOVHGSA-N 0 0 404.853 4.642 50 0 HJAARN O=C(NCc1ccccc1Cl)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)O2 ZINC000032984035 558805066 /nfs/dbraw/zinc/80/50/66/558805066.db2.gz ZRUCFLRGPINNMK-MTJSOVHGSA-N 0 0 404.853 4.642 50 0 HJAARN CCSc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2)s1 ZINC000016752590 558805130 /nfs/dbraw/zinc/80/51/30/558805130.db2.gz YCWIKSIDHSEHMK-MRXNPFEDSA-N 0 0 421.503 4.506 50 0 HJAARN COc1ccccc1/C=C1\Oc2ccc(C(=O)NC3CCCCCCC3)cc2NC1=O ZINC000032983672 558805219 /nfs/dbraw/zinc/80/52/19/558805219.db2.gz ODKFORWREBHQAU-KQWNVCNZSA-N 0 0 420.509 4.910 50 0 HJAARN Cc1ccc(NC(=O)C2CCN(c3ncnc4c5cccnc5sc43)CC2)cc1F ZINC000032985967 558806221 /nfs/dbraw/zinc/80/62/21/558806221.db2.gz LQOHRYVFZAWKPR-UHFFFAOYSA-N 0 0 421.501 4.542 50 0 HJAARN CSc1cccc(NC(=O)CSc2nccn3nc(-c4ccccc4)cc23)c1 ZINC000016975387 558810977 /nfs/dbraw/zinc/81/09/77/558810977.db2.gz QNIGMWQLCPBGFO-UHFFFAOYSA-N 0 0 406.536 4.849 50 0 HJAARN CC(=O)c1cccc(NC(=O)CSc2nccn3nc(-c4ccc(C)cc4)cc23)c1 ZINC000017051637 558813078 /nfs/dbraw/zinc/81/30/78/558813078.db2.gz JZCGYCPZZAUCSO-UHFFFAOYSA-N 0 0 416.506 4.638 50 0 HJAARN Cc1ccc(Nc2nc(NC[C@H]3CCCO3)nc3c2cnn3-c2ccccc2)cc1C ZINC000017052952 558813238 /nfs/dbraw/zinc/81/32/38/558813238.db2.gz GJNHLFMNMMZHCI-HXUWFJFHSA-N 0 0 414.513 4.767 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc2ccccc2o/c1=N/C(=O)C1CC1 ZINC000017081819 558813715 /nfs/dbraw/zinc/81/37/15/558813715.db2.gz IHHBMSZRBCUYTH-LHLOQNFPSA-N 0 0 400.356 4.541 50 0 HJAARN COC(=O)c1c(NC(=S)Nc2cc(C(C)(C)C)ccc2O)sc2c1CCC2 ZINC000017083015 558815403 /nfs/dbraw/zinc/81/54/03/558815403.db2.gz QAMILCITZILTTE-UHFFFAOYSA-N 0 0 404.557 4.835 50 0 HJAARN O=C(c1sc2cccc(Cl)c2c1Cl)N1NC(C(F)F)=C[C@]1(O)C(F)F ZINC000017090188 558818839 /nfs/dbraw/zinc/81/88/39/558818839.db2.gz NJCUHEIEDDWCJV-AWEZNQCLSA-N 0 0 415.195 4.629 50 0 HJAARN Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)cc1 ZINC000017091211 558819730 /nfs/dbraw/zinc/81/97/30/558819730.db2.gz ZQSZFLPEKLCYPA-IRXDYDNUSA-N 0 0 417.600 4.756 50 0 HJAARN COC(=O)c1ccn(Cn2nc(-c3cccc(C)c3)c(Cl)c2-c2cccc(C)c2)n1 ZINC000017092496 558820944 /nfs/dbraw/zinc/82/09/44/558820944.db2.gz VGHFCGKIPONYPC-UHFFFAOYSA-N 0 0 420.900 4.976 50 0 HJAARN O=C(NCc1ccc(CNC(=O)[C@H]2C[C@H]2c2ccccc2)cc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000017094055 558822530 /nfs/dbraw/zinc/82/25/30/558822530.db2.gz GURVXEIOYUGWNL-POYMRFPPSA-N 0 0 424.544 4.526 50 0 HJAARN COc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)c(F)c4)nccn3n2)cc1 ZINC000017121045 558823118 /nfs/dbraw/zinc/82/31/18/558823118.db2.gz LOEACBGWLKJZKH-UHFFFAOYSA-N 0 0 422.485 4.583 50 0 HJAARN COc1ccc(-c2nc3cccnc3n2[C@H]2CCN(C(=O)c3ccc(C)s3)C2)cc1 ZINC000097938672 558825118 /nfs/dbraw/zinc/82/51/18/558825118.db2.gz LITAXYYRVYODQP-KRWDZBQOSA-N 0 0 418.522 4.564 50 0 HJAARN COc1ccc(C(=O)[C@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 ZINC000017281933 558826405 /nfs/dbraw/zinc/82/64/05/558826405.db2.gz NOLBAQDITSWYOQ-ZJSXRUAMSA-N 0 0 402.425 4.587 50 0 HJAARN O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000033004828 558827323 /nfs/dbraw/zinc/82/73/23/558827323.db2.gz QKCIHKDYTQELNK-QFIPXVFZSA-N 0 0 419.500 4.629 50 0 HJAARN CCC(=O)Nc1nc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2s1 ZINC000033007521 558828362 /nfs/dbraw/zinc/82/83/62/558828362.db2.gz LMQKKRSBVZBNMQ-UHFFFAOYSA-N 0 0 417.556 4.743 50 0 HJAARN CCC(=O)Nc1nc2c(cc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2C)s1 ZINC000033007719 558828521 /nfs/dbraw/zinc/82/85/21/558828521.db2.gz MCKQDLIKPFVDJC-UHFFFAOYSA-N 0 0 417.556 4.877 50 0 HJAARN CC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)cc1 ZINC000017987466 558829276 /nfs/dbraw/zinc/82/92/76/558829276.db2.gz URZCERNAARKDSN-SFTDATJTSA-N 0 0 403.478 4.659 50 0 HJAARN O=C(CSc1nc2c(c(=O)[nH]1)C1(CCCC1)Cc1ccccc1-2)c1ccccc1 ZINC000018054340 558830033 /nfs/dbraw/zinc/83/00/33/558830033.db2.gz QGNVPYKAYYGAAF-UHFFFAOYSA-N 0 0 402.519 4.780 50 0 HJAARN Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2cccc(Cl)c2Cl)cc1 ZINC000018094064 558831050 /nfs/dbraw/zinc/83/10/50/558831050.db2.gz YSVIDPKPWIMCQQ-KRWDZBQOSA-N 0 0 406.338 4.733 50 0 HJAARN CC(C)c1noc(-c2cccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c2)n1 ZINC000033012539 558832307 /nfs/dbraw/zinc/83/23/07/558832307.db2.gz XISFLAWOTWOWHU-UHFFFAOYSA-N 0 0 405.376 4.896 50 0 HJAARN Cc1noc(-c2cccc(OCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2)n1 ZINC000033012446 558832319 /nfs/dbraw/zinc/83/23/19/558832319.db2.gz VTCRSORNABNCED-UHFFFAOYSA-N 0 0 411.767 4.735 50 0 HJAARN CCOc1cc(-c2noc(-c3ccc(C)cc3)n2)ccc1OCC(=O)NC1CCCC1 ZINC000033013295 558833006 /nfs/dbraw/zinc/83/30/06/558833006.db2.gz NCEMZAZUJIVCJH-UHFFFAOYSA-N 0 0 421.497 4.548 50 0 HJAARN COc1ccc(S(=O)(=O)Nc2ccccc2)cc1-c1noc(C2CCCCC2)n1 ZINC000033013449 558833830 /nfs/dbraw/zinc/83/38/30/558833830.db2.gz SSALWYZDOGREFV-UHFFFAOYSA-N 0 0 413.499 4.594 50 0 HJAARN CCCCSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C(C(=O)OCC)C(C)=N2 ZINC000004598067 558833980 /nfs/dbraw/zinc/83/39/80/558833980.db2.gz LEYXVTFMLYTEHS-MRXNPFEDSA-N 0 0 406.939 4.676 50 0 HJAARN O=C1[C@H]2[C@@H](C(=O)N1CCc1c[nH]c3ccccc13)C1c3ccccc3C2c2ccccc21 ZINC000018280093 558835299 /nfs/dbraw/zinc/83/52/99/558835299.db2.gz QMKDCEVLLJXKLS-TXFWVUOCSA-N 0 0 418.496 4.603 50 0 HJAARN O=C(c1nn2c(c1Cl)N[C@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F)N1CCCC1 ZINC000000867011 558835822 /nfs/dbraw/zinc/83/58/22/558835822.db2.gz IXSORWZQEOSZMV-STQMWFEESA-N 0 0 416.806 4.572 50 0 HJAARN Cc1ccc(NC(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)cc1F ZINC000046009423 558839001 /nfs/dbraw/zinc/83/90/01/558839001.db2.gz NURYEQKFCIRYII-UHFFFAOYSA-N 0 0 420.444 4.761 50 0 HJAARN Cc1ccc(-c2nc3nc(C)c(CC(=O)Nc4ccc(C)c(Cl)c4)c(C)n3n2)cc1 ZINC000046023809 558839224 /nfs/dbraw/zinc/83/92/24/558839224.db2.gz HPYJJUSXEHRWAJ-UHFFFAOYSA-N 0 0 419.916 4.860 50 0 HJAARN Cc1nc2nc(C3CCCCC3)nn2c(C)c1CC(=O)Nc1cccc(Cl)c1C ZINC000046024006 558839349 /nfs/dbraw/zinc/83/93/49/558839349.db2.gz HKAWBFHLHIIWEV-UHFFFAOYSA-N 0 0 411.937 4.932 50 0 HJAARN Cc1sc(-c2nc(-c3cccc(Cl)c3)no2)cc1S(=O)(=O)NC1CCCC1 ZINC000046141440 558840063 /nfs/dbraw/zinc/84/00/63/558840063.db2.gz MHZFIZXTVHEVHI-UHFFFAOYSA-N 0 0 423.947 4.648 50 0 HJAARN Cc1sc(-c2nc(-c3cccc(Cl)c3)no2)cc1S(=O)(=O)NC(C)(C)C ZINC000046141439 558840075 /nfs/dbraw/zinc/84/00/75/558840075.db2.gz HBXUMAOMEFOPPW-UHFFFAOYSA-N 0 0 411.936 4.504 50 0 HJAARN CCOc1ccccc1-c1cc(NC(=O)c2noc3c2COc2ccccc2-3)on1 ZINC000033028847 558852607 /nfs/dbraw/zinc/85/26/07/558852607.db2.gz WLQAJJHEACEEGO-UHFFFAOYSA-N 0 0 403.394 4.540 50 0 HJAARN COc1ccc2cc(CNC(=O)[C@@H](NC(=O)c3ccccc3Cl)C(C)C)ccc2c1 ZINC000011124751 558854067 /nfs/dbraw/zinc/85/40/67/558854067.db2.gz GSJKYHRTVKGURT-QFIPXVFZSA-N 0 0 424.928 4.573 50 0 HJAARN COc1cccc(OC)c1C(=O)OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 ZINC000011136377 558860670 /nfs/dbraw/zinc/86/06/70/558860670.db2.gz PFXFWISWZSWELL-XMMPIXPASA-N 0 0 424.424 4.808 50 0 HJAARN CC(=O)Nc1ccc(CCc2nc3cc(C(=O)Nc4ccc(C)cc4)ccc3[nH]2)cc1 ZINC000033037476 558862118 /nfs/dbraw/zinc/86/21/18/558862118.db2.gz HHXRDHYVCKVPPF-UHFFFAOYSA-N 0 0 412.493 4.867 50 0 HJAARN CCCCOc1ccc(-c2n[nH]cc2C(=O)NCc2ccc(F)cc2Cl)cc1 ZINC000072328996 558864399 /nfs/dbraw/zinc/86/43/99/558864399.db2.gz ACVFRDLQGWPVIQ-UHFFFAOYSA-N 0 0 401.869 4.978 50 0 HJAARN Cc1ccc(Cn2c(CCCC(=O)Nc3ccc(F)cc3)nc3cccnc32)cc1 ZINC000033072646 558867046 /nfs/dbraw/zinc/86/70/46/558867046.db2.gz UQIUNMJKXSAQRM-UHFFFAOYSA-N 0 0 402.473 4.889 50 0 HJAARN Cc1cc(N2CCN(Cc3ccc(Cl)cc3)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000054274615 558867216 /nfs/dbraw/zinc/86/72/16/558867216.db2.gz QNZTVISRQMUDPH-UHFFFAOYSA-N 0 0 417.944 4.680 50 0 HJAARN CCCCOc1ccccc1-c1cc(C(=O)N2CCN(c3cccc(C)c3)CC2)[nH]n1 ZINC000072331262 558867656 /nfs/dbraw/zinc/86/76/56/558867656.db2.gz AJHNHAMTVSJKMO-UHFFFAOYSA-N 0 0 418.541 4.526 50 0 HJAARN Cc1oc(-c2ccc(C)cc2)nc1CN1CCN(C(=O)Nc2ccccc2Cl)CC1 ZINC000033085143 558869140 /nfs/dbraw/zinc/86/91/40/558869140.db2.gz MDZLCXUJGFQFMA-UHFFFAOYSA-N 0 0 424.932 4.962 50 0 HJAARN CC(C)COc1ccc([C@@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)cc1 ZINC000033088072 558869828 /nfs/dbraw/zinc/86/98/28/558869828.db2.gz NLZUFVKNKXGFRE-KRWDZBQOSA-N 0 0 418.522 4.991 50 0 HJAARN Cc1ccc(NC(=O)c2nc3ccccc3n(Cc3cccc(Cl)c3)c2=O)cc1F ZINC000033085927 558870483 /nfs/dbraw/zinc/87/04/83/558870483.db2.gz UBSYLFKGDZCJPK-UHFFFAOYSA-N 0 0 421.859 4.798 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1nc2ccccc2n(Cc2ccccc2)c1=O ZINC000033085925 558870522 /nfs/dbraw/zinc/87/05/22/558870522.db2.gz QBVBUZZIRIXIKB-UHFFFAOYSA-N 0 0 423.394 4.716 50 0 HJAARN Cc1ccc(NC(=O)c2nc3ccccc3nc2N2CCCC2)c(Br)c1 ZINC000033085936 558870545 /nfs/dbraw/zinc/87/05/45/558870545.db2.gz BQMPRJTXLXAJKO-UHFFFAOYSA-N 0 0 411.303 4.553 50 0 HJAARN Cc1cccc(C)c1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@@H]2C ZINC000033089191 558871942 /nfs/dbraw/zinc/87/19/42/558871942.db2.gz IWQBTQLIVMAINS-ZDUSSCGKSA-N 0 0 411.299 4.750 50 0 HJAARN COc1ccc(F)c(CN2CCOc3ccc([C@@H](O)Cc4ccccc4)cc3C2)c1 ZINC000055107884 558872876 /nfs/dbraw/zinc/87/28/76/558872876.db2.gz AAQQEJNOBFFCKJ-DEOSSOPVSA-N 0 0 407.485 4.505 50 0 HJAARN CC(=O)Nc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)c3ccccc3n2)cc1 ZINC000033106315 558874042 /nfs/dbraw/zinc/87/40/42/558874042.db2.gz ZPZZTBYHIWBUJS-UHFFFAOYSA-N 0 0 413.452 4.929 50 0 HJAARN O=C(c1nc2sccn2c1CNC(c1ccccc1)c1ccccc1)N1CCCC1 ZINC000055153367 558874275 /nfs/dbraw/zinc/87/42/75/558874275.db2.gz UZKCHOPVRHVTJA-UHFFFAOYSA-N 0 0 416.550 4.511 50 0 HJAARN CCc1cc2c(ncnc2N2CCN(Cc3ccc(Cl)cc3Cl)CC2)s1 ZINC000055250657 558877342 /nfs/dbraw/zinc/87/73/42/558877342.db2.gz IZWIXFBQJRAYTL-UHFFFAOYSA-N 0 0 407.370 4.883 50 0 HJAARN CCOc1cc(CN(C)C(=O)c2cc(C)sc2NC(=O)C(C)(C)C)ccc1OC ZINC000055253768 558877589 /nfs/dbraw/zinc/87/75/89/558877589.db2.gz GMTOFLMJQNJXEY-UHFFFAOYSA-N 0 0 418.559 4.721 50 0 HJAARN CCOC(=O)[C@@H]1CCCN(C(=O)Cc2c3ccccc3[nH]c2Sc2ccccc2)C1 ZINC000033116289 558877690 /nfs/dbraw/zinc/87/76/90/558877690.db2.gz QDEFHDSNWQVTQN-QGZVFWFLSA-N 0 0 422.550 4.663 50 0 HJAARN CCn1c2ccccc2nc1CCc1cccc(NS(=O)(=O)c2cccc(F)c2)c1 ZINC000033116545 558877702 /nfs/dbraw/zinc/87/77/02/558877702.db2.gz JDOWAJCQBHQENZ-UHFFFAOYSA-N 0 0 423.513 4.781 50 0 HJAARN Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(CCc2nc3ccccc3[nH]2)c1 ZINC000033116571 558877819 /nfs/dbraw/zinc/87/78/19/558877819.db2.gz JZWIOKFRVUFUMG-UHFFFAOYSA-N 0 0 409.486 4.596 50 0 HJAARN CCc1ccccc1S(=O)(=O)Nc1cccc(CCc2nc3ccccc3[nH]2)c1 ZINC000033116577 558877882 /nfs/dbraw/zinc/87/78/82/558877882.db2.gz NCSVGPNMPOMKEV-UHFFFAOYSA-N 0 0 405.523 4.711 50 0 HJAARN COc1ccc(-c2c(C(=O)Nc3ccc(C)cc3Cl)nn3c2[nH]c(=O)cc3C)cc1 ZINC000033123360 558879679 /nfs/dbraw/zinc/87/96/79/558879679.db2.gz SEZCLBSASUFHFD-UHFFFAOYSA-N 0 0 422.872 4.633 50 0 HJAARN Cc1ccc(-n2nc(S[C@@H](C)C(=O)Nc3ccccc3Cl)ccc2=O)cc1C ZINC000033128059 558881589 /nfs/dbraw/zinc/88/15/89/558881589.db2.gz XKSNWWAPWVXNJH-HNNXBMFYSA-N 0 0 413.930 4.622 50 0 HJAARN Cc1ccc(NC(=O)CSc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)c(Cl)c1 ZINC000033128026 558881595 /nfs/dbraw/zinc/88/15/95/558881595.db2.gz XZYBMJZMBYRFKN-UHFFFAOYSA-N 0 0 413.930 4.542 50 0 HJAARN CC[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2[n-]c(-c3cccc(Cl)c3)cc2n1 ZINC000033126240 558883720 /nfs/dbraw/zinc/88/37/20/558883720.db2.gz KPADLIPJGUYVMP-UHFFFAOYSA-N 0 0 410.880 4.504 50 0 HJAARN Cc1cccc(NC(=O)N2CCC(CCNC(=O)CSc3ccccc3)CC2)c1 ZINC000033126004 558883726 /nfs/dbraw/zinc/88/37/26/558883726.db2.gz LQIVKLUKZVIHEK-UHFFFAOYSA-N 0 0 411.571 4.538 50 0 HJAARN CCCCOc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2CCCC)cc1 ZINC000004673087 558884937 /nfs/dbraw/zinc/88/49/37/558884937.db2.gz MABHOOYOWYGKHD-HSZRJFAPSA-N 0 0 400.563 4.710 50 0 HJAARN CCn1c2ccccc2c2cc(NC(=O)CCCC(=O)Nc3ccccn3)ccc21 ZINC000004674080 558885098 /nfs/dbraw/zinc/88/50/98/558885098.db2.gz YOWVHRJAQWEGGW-UHFFFAOYSA-N 0 0 400.482 4.957 50 0 HJAARN O=C(Nc1ccc(F)cc1)c1cccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000033129958 558885872 /nfs/dbraw/zinc/88/58/72/558885872.db2.gz ISNPLDRHZJCEPW-UHFFFAOYSA-N 0 0 424.497 4.530 50 0 HJAARN Cc1cccc(NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)c2)c1 ZINC000033129950 558885877 /nfs/dbraw/zinc/88/58/77/558885877.db2.gz JUHXNVMCWSIPCE-UHFFFAOYSA-N 0 0 420.534 4.699 50 0 HJAARN CCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ccccc3C)cc2)cc1 ZINC000033130331 558886556 /nfs/dbraw/zinc/88/65/56/558886556.db2.gz JHMZIOVXXMHPOT-UHFFFAOYSA-N 0 0 422.550 4.993 50 0 HJAARN COc1cccc(Oc2ccc(-c3ccc(C(=O)NCc4ccccc4)cc3)nn2)c1 ZINC000033130916 558887353 /nfs/dbraw/zinc/88/73/53/558887353.db2.gz RVCHMOZSEBLAKX-UHFFFAOYSA-N 0 0 411.461 4.875 50 0 biogenic HJAARN CC(C)n1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1ccc(Cl)cc1 ZINC000057291771 558887982 /nfs/dbraw/zinc/88/79/82/558887982.db2.gz CVPBXRNIALZBBL-UHFFFAOYSA-N 0 0 411.918 4.708 50 0 HJAARN Cc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1-c1ccc(F)cc1 ZINC000004675555 558888397 /nfs/dbraw/zinc/88/83/97/558888397.db2.gz AEPLDCZYFUQNLX-UHFFFAOYSA-N 0 0 411.289 4.752 50 0 HJAARN Cc1nc(NC(=O)COC(=O)c2[nH]c3ccccc3c2Cl)c(Cl)cc1Cl ZINC000058005801 558894496 /nfs/dbraw/zinc/89/44/96/558894496.db2.gz KXMBMNIHEZZFIM-UHFFFAOYSA-N 0 0 412.660 4.627 50 0 HJAARN CCCn1c(CCc2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000004681913 558894935 /nfs/dbraw/zinc/89/49/35/558894935.db2.gz KYONNAXVMZWCSL-UHFFFAOYSA-N 0 0 414.962 4.858 50 0 HJAARN O=C1[C@@H](Oc2ccc(Cl)cc2)[C@@H](c2cccs2)N1Cc1ccc2c(c1)OCO2 ZINC000004686750 558895580 /nfs/dbraw/zinc/89/55/80/558895580.db2.gz NSQOITFIJWAZQN-UXHICEINSA-N 0 0 413.882 4.661 50 0 HJAARN C[C@@H](NC(=O)[C@H]1CCCN(c2nccnc2Sc2ccccc2)C1)c1ccccc1 ZINC000033168804 558898424 /nfs/dbraw/zinc/89/84/24/558898424.db2.gz CBDMQVATBCXOOH-QUCCMNQESA-N 0 0 418.566 4.722 50 0 HJAARN Cc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1cccc(F)c1 ZINC000033173360 558901354 /nfs/dbraw/zinc/90/13/54/558901354.db2.gz MGOVNFZVOHMSLX-UHFFFAOYSA-N 0 0 400.353 4.609 50 0 HJAARN O=C(Nc1ccccc1)c1ccc(-c2nc3cccnc3n(C3CCCC3)c2=O)cc1 ZINC000033170436 558903633 /nfs/dbraw/zinc/90/36/33/558903633.db2.gz GTNKYXACRXUCAZ-UHFFFAOYSA-N 0 0 410.477 4.826 50 0 HJAARN CC1CCN(c2nccnc2Oc2ccc(C(=O)NCc3ccc(F)cc3)cc2)CC1 ZINC000033170778 558904024 /nfs/dbraw/zinc/90/40/24/558904024.db2.gz FKKLMTQSQLIYNX-UHFFFAOYSA-N 0 0 420.488 4.574 50 0 HJAARN COC(=O)C(C(=O)OC)[C@@H](c1ccc(Cl)cc1)[C@@H](C)C(=O)c1ccc(C)cc1C ZINC000004694044 558904132 /nfs/dbraw/zinc/90/41/32/558904132.db2.gz KXZKTUCOFABAST-DNVCBOLYSA-N 0 0 416.901 4.522 50 0 HJAARN Cc1ccc2cccc(OS(=O)(=O)c3csc(-c4ccc(F)cc4)n3)c2n1 ZINC000058159636 558904710 /nfs/dbraw/zinc/90/47/10/558904710.db2.gz RWKZQXPGGJPIIN-UHFFFAOYSA-N 0 0 400.456 4.574 50 0 HJAARN Ic1ccccc1-c1ccccc1I ZINC000071610639 558905860 /nfs/dbraw/zinc/90/58/60/558905860.db2.gz OZVRXSGTNWILMN-UHFFFAOYSA-N 0 0 406.004 4.563 50 0 HJAARN O=C(CN[C@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(N2CCCC2)cc1 ZINC000058176686 558909688 /nfs/dbraw/zinc/90/96/88/558909688.db2.gz LEOGSTGNLLVCQO-QHCPKHFHSA-N 0 0 409.530 4.805 50 0 HJAARN COc1ccc(-c2ccc(C(=O)N3CCC(CCc4ccccc4)CC3)cn2)cn1 ZINC000071764823 558910669 /nfs/dbraw/zinc/91/06/69/558910669.db2.gz VNHGNGUUWWQDKN-UHFFFAOYSA-N 0 0 401.510 4.637 50 0 HJAARN CSc1ccc(Cl)c(C(=O)Nc2ccc(C(=O)N3CCSCC3)cc2C)c1 ZINC000058193671 558910673 /nfs/dbraw/zinc/91/06/73/558910673.db2.gz PYVHTXBDJNOZIC-UHFFFAOYSA-N 0 0 420.987 4.812 50 0 HJAARN COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccccc1 ZINC000004703956 558913358 /nfs/dbraw/zinc/91/33/58/558913358.db2.gz JLTXRUHRQLMWCW-UHFFFAOYSA-N 0 0 403.463 4.630 50 0 HJAARN CN(CCCN1c2ccccc2CCc2ccccc21)S(=O)(=O)c1ccc(F)cc1 ZINC000004707200 558913863 /nfs/dbraw/zinc/91/38/63/558913863.db2.gz PKZYKJKYCOBCDC-UHFFFAOYSA-N 0 0 424.541 4.773 50 0 HJAARN Cc1ccc(-c2ccncc2)cc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000058248201 558914870 /nfs/dbraw/zinc/91/48/70/558914870.db2.gz ZSIAXNDFQYVHOM-UHFFFAOYSA-N 0 0 415.474 4.577 50 0 HJAARN COc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccco4)=NN32)cc1OC ZINC000004715773 558915056 /nfs/dbraw/zinc/91/50/56/558915056.db2.gz HYBHKARLEJHYQE-HXOBKFHXSA-N 0 0 406.438 4.548 50 0 HJAARN CCC(CC)(NC(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1)c1ccc(Cl)cc1 ZINC000058250621 558915191 /nfs/dbraw/zinc/91/51/91/558915191.db2.gz RFUXXKWSKRKYGT-AWEZNQCLSA-N 0 0 423.966 4.528 50 0 HJAARN Cc1ccccc1-c1cc(NC(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)on1 ZINC000058279377 558916284 /nfs/dbraw/zinc/91/62/84/558916284.db2.gz SWFGNHHYWLPHHL-MRXNPFEDSA-N 0 0 401.470 4.938 50 0 HJAARN CSCc1nc2ccccc2n1CC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000058297235 558917368 /nfs/dbraw/zinc/91/73/68/558917368.db2.gz SJAPAPKBQXLRDI-NRFANRHFSA-N 0 0 405.567 4.968 50 0 HJAARN CC(C)OC(=O)c1c(NC(=O)c2ccc(Br)o2)sc2c1CCCC2 ZINC000004719189 558918772 /nfs/dbraw/zinc/91/87/72/558918772.db2.gz YKXLTQYXQXEWDO-UHFFFAOYSA-N 0 0 412.305 4.800 50 0 HJAARN COc1ccc(Cn2c(CO)cnc2SCc2cccc(C(F)(F)F)c2)cc1 ZINC000004719951 558919009 /nfs/dbraw/zinc/91/90/09/558919009.db2.gz IHMXQNBBEVFNPL-UHFFFAOYSA-N 0 0 408.445 4.743 50 0 HJAARN CC[C@H](C(=O)Nc1cccc(C)c1)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251147 558919710 /nfs/dbraw/zinc/91/97/10/558919710.db2.gz BXWKPAGTZWHWGZ-QGZVFWFLSA-N 0 0 417.431 4.930 50 0 HJAARN O=C(NCc1ccccc1F)c1[nH]c2ccc(F)cc2c1NC(=O)c1ccccc1 ZINC000033252534 558920799 /nfs/dbraw/zinc/92/07/99/558920799.db2.gz UQOSPACPGVVSAD-UHFFFAOYSA-N 0 0 405.404 4.628 50 0 HJAARN Cc1cc(C)cc(OCc2nc(CCN(C)C(=O)Nc3cccc(C)c3C)no2)c1 ZINC000033252642 558921076 /nfs/dbraw/zinc/92/10/76/558921076.db2.gz KTSOYUPQHJJXFJ-UHFFFAOYSA-N 0 0 408.502 4.589 50 0 HJAARN CN(Cc1coc(-c2ccc(F)cc2)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000058393586 558923780 /nfs/dbraw/zinc/92/37/80/558923780.db2.gz CXNOADGZESBRKN-RBUKOAKNSA-N 0 0 407.272 4.878 50 0 HJAARN Cc1cccc(NC(=O)N2CCN(c3ccc(-c4noc(C(C)C)n4)cc3)CC2)c1C ZINC000033258317 558924975 /nfs/dbraw/zinc/92/49/75/558924975.db2.gz ZRURQKULUFMOFU-UHFFFAOYSA-N 0 0 419.529 4.831 50 0 HJAARN Cc1cc(C(C)(C)C)cc(C)c1CS(=O)(=O)Cc1csc(-c2ncccn2)n1 ZINC000058439404 558927352 /nfs/dbraw/zinc/92/73/52/558927352.db2.gz PHVXGVHDIZUQFC-UHFFFAOYSA-N 0 0 415.584 4.629 50 0 HJAARN C[C@@H](NC(=O)c1ccoc1)C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000058552491 558928487 /nfs/dbraw/zinc/92/84/87/558928487.db2.gz CGDGFPOSRJMAGR-CYBMUJFWSA-N 0 0 417.292 4.611 50 0 HJAARN COc1cccc(COC(=O)c2nc(-c3cccs3)n(-c3cccc(F)c3)n2)c1 ZINC000058564820 558928548 /nfs/dbraw/zinc/92/85/48/558928548.db2.gz QQLNMBKTTVWWKA-UHFFFAOYSA-N 0 0 409.442 4.501 50 0 HJAARN C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)Cn1ccc(C(F)(F)F)n1)C1CC1 ZINC000058700970 558929414 /nfs/dbraw/zinc/92/94/14/558929414.db2.gz YJEVLILKIGYBLX-LLVKDONJSA-N 0 0 405.342 4.673 50 0 HJAARN COc1ccc(-c2cc(C(=O)Nc3cccc(C(N)=O)c3C)c3ccccc3n2)cc1 ZINC000058787953 558930098 /nfs/dbraw/zinc/93/00/98/558930098.db2.gz YLOLGUQBMLKRGO-UHFFFAOYSA-N 0 0 411.461 4.570 50 0 HJAARN Clc1cccc(-c2ccc(SCc3nc(-c4ccc5c(c4)OCO5)no3)nn2)c1 ZINC000033262447 558931258 /nfs/dbraw/zinc/93/12/58/558931258.db2.gz HYHDFLGWYHXRFK-UHFFFAOYSA-N 0 0 424.869 4.868 50 0 HJAARN C[C@@H](Sc1nnc(COc2ccc(F)cc2)o1)C(=O)Nc1ccc(Cl)cc1 ZINC000011195434 558934159 /nfs/dbraw/zinc/93/41/59/558934159.db2.gz PNPBLORWJOSKIC-LLVKDONJSA-N 0 0 407.854 4.560 50 0 HJAARN CCOc1cccc([C@H](C)NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c1 ZINC000060183066 558941658 /nfs/dbraw/zinc/94/16/58/558941658.db2.gz ZUIVNXARPYRFBJ-CYFREDJKSA-N 0 0 416.521 4.824 50 0 HJAARN CCOc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)c1 ZINC000021726062 558943582 /nfs/dbraw/zinc/94/35/82/558943582.db2.gz CQBJCWAUPKJGNG-MRXNPFEDSA-N 0 0 404.495 4.663 50 0 HJAARN CC(C)Oc1ccccc1[C@H]1CC(=O)Nc2nc(SCc3ccccc3)[nH]c(=O)c21 ZINC000021784493 558949708 /nfs/dbraw/zinc/94/97/08/558949708.db2.gz YCYSRSJLEZYEGU-QGZVFWFLSA-N 0 0 421.522 4.736 50 0 HJAARN CCCN1C(=O)c2cc3sc(CC)cc3n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021809891 558953030 /nfs/dbraw/zinc/95/30/30/558953030.db2.gz TWCIMKFVGLLCQE-HSZRJFAPSA-N 0 0 415.603 4.729 50 0 HJAARN CCCN1C(=O)c2cc3sc(CC)cc3n2C[C@@]1(C)C(=O)NC1CCC(C)CC1 ZINC000021810082 558953106 /nfs/dbraw/zinc/95/31/06/558953106.db2.gz MMMHMKJKPDULPC-NCOUDYQVSA-N 0 0 415.603 4.585 50 0 HJAARN Cc1oc(-c2ccccc2Cl)nc1Cn1cnc2nc3c(cc2c1=O)C[C@H](C)CC3 ZINC000033059733 558953852 /nfs/dbraw/zinc/95/38/52/558953852.db2.gz PCMBSABWDYDPPN-CYBMUJFWSA-N 0 0 420.900 4.581 50 0 HJAARN CCn1cc(-c2cc(C(=O)N3CCC[C@H]3c3nccs3)c3ccccc3n2)cn1 ZINC000063845225 558959214 /nfs/dbraw/zinc/95/92/14/558959214.db2.gz GQOGDGFSVFVRAN-FQEVSTJZSA-N 0 0 403.511 4.552 50 0 HJAARN O=c1c2ccccc2c(-c2nc(-c3cccc(F)c3)no2)nn1-c1cccc(Cl)c1 ZINC000064949852 558967901 /nfs/dbraw/zinc/96/79/01/558967901.db2.gz WRBHKKIFCFNZLQ-UHFFFAOYSA-N 0 0 418.815 4.895 50 0 HJAARN COc1ccc(S(=O)(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000064984093 558968391 /nfs/dbraw/zinc/96/83/91/558968391.db2.gz RGZIMNYMQQLPDL-GOSISDBHSA-N 0 0 409.935 4.663 50 0 HJAARN O=S(=O)(NCCCc1ccccc1)c1ccc(-c2cnc(C3CCCC3)o2)s1 ZINC000065004681 558969490 /nfs/dbraw/zinc/96/94/90/558969490.db2.gz NWGPYSJECVUXIS-UHFFFAOYSA-N 0 0 416.568 4.972 50 0 HJAARN Cc1ccc(C(=O)NCc2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)cc1 ZINC000065005412 558969876 /nfs/dbraw/zinc/96/98/76/558969876.db2.gz WPOAHLMTKVDKHO-UHFFFAOYSA-N 0 0 403.413 4.906 50 0 HJAARN CCOC(=O)c1sc2nc(-c3ccc(O)cc3)c(NCc3ccccc3)n2c1C ZINC000065315894 558970910 /nfs/dbraw/zinc/97/09/10/558970910.db2.gz XFTOYSRVKIRKDU-UHFFFAOYSA-N 0 0 407.495 4.866 50 0 HJAARN Cc1nn2c(ncc(C(=O)NCCc3ccc(Cl)cc3)c2C)c1-c1ccccc1 ZINC000021914703 558971428 /nfs/dbraw/zinc/97/14/28/558971428.db2.gz ZBYZZJDHTWMXFF-UHFFFAOYSA-N 0 0 404.901 4.639 50 0 HJAARN O=C1Nc2c3c(nc(-c4ccccc4)cc3C(F)(F)F)sc2C(=O)N2CCC[C@H]12 ZINC000065363151 558974157 /nfs/dbraw/zinc/97/41/57/558974157.db2.gz HVRMQHGBMZBXPA-CYBMUJFWSA-N 0 0 417.412 4.539 50 0 HJAARN O=C1Nc2c3c(nc(-c4ccccc4)cc3C(F)(F)F)sc2C(=O)N2CCC[C@@H]12 ZINC000065363152 558974163 /nfs/dbraw/zinc/97/41/63/558974163.db2.gz HVRMQHGBMZBXPA-ZDUSSCGKSA-N 0 0 417.412 4.539 50 0 HJAARN COCC[C@H]1CN(Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)CCO1 ZINC000072410796 558977664 /nfs/dbraw/zinc/97/76/64/558977664.db2.gz NGTFHLSXBHIGTA-QFIPXVFZSA-N 0 0 408.498 4.680 50 0 HJAARN CN(Cc1ncc[nH]1)Cc1cc2cc3c(cc2nc1-c1ccc(Cl)cc1)OCO3 ZINC000072424589 558978771 /nfs/dbraw/zinc/97/87/71/558978771.db2.gz QHRAPQHVRBJKCB-UHFFFAOYSA-N 0 0 406.873 4.639 50 0 HJAARN COc1ccccc1N1CCN(c2nc(C3CCC3)nc3ccc(Cl)cc32)CC1 ZINC000096602568 558981574 /nfs/dbraw/zinc/98/15/74/558981574.db2.gz WIEDAEALXPFJOP-UHFFFAOYSA-N 0 0 408.933 4.886 50 0 HJAARN COC(=O)C[C@@H](NC(=O)OC(C)(C)C(Cl)(Cl)Cl)c1c[nH]c2ccccc21 ZINC000096602586 558981866 /nfs/dbraw/zinc/98/18/66/558981866.db2.gz OXMRQUAYUVOJRN-CYBMUJFWSA-N 0 0 421.708 4.647 50 0 HJAARN CC[C@@H]1CN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CCO1 ZINC000072458284 558983097 /nfs/dbraw/zinc/98/30/97/558983097.db2.gz SHKRZCISPGZBOH-JOCHJYFZSA-N 0 0 401.510 4.955 50 0 HJAARN COc1ccc(-c2nn(-c3ccccc3C)cc2CN2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000072463804 558983313 /nfs/dbraw/zinc/98/33/13/558983313.db2.gz YNDPAUHGROYUNG-HDICACEKSA-N 0 0 409.505 4.605 50 0 HJAARN COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCOC(C)(C)C2)cc1F ZINC000072474848 558983662 /nfs/dbraw/zinc/98/36/62/558983662.db2.gz NZJQLIDAVVHXHN-UHFFFAOYSA-N 0 0 409.505 4.606 50 0 HJAARN COc1cccc(NC(=O)NC[C@@H](c2cn(C)c3ccccc23)c2cccnc2)c1 ZINC000033267824 558990289 /nfs/dbraw/zinc/99/02/89/558990289.db2.gz BNSIAWCRPRYSGM-OAQYLSRUSA-N 0 0 400.482 4.536 50 0 HJAARN Cc1cc(C(=O)N2CCOc3c(O)cc(-c4csc5ccccc45)cc3C2)no1 ZINC000067673416 558991053 /nfs/dbraw/zinc/99/10/53/558991053.db2.gz BXYDPWNJVJUUFX-UHFFFAOYSA-N 0 0 406.463 4.605 50 0 HJAARN C[C@H](NC(=O)C1CCN(c2nc3ccccc3[nH]2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000033269072 558993778 /nfs/dbraw/zinc/99/37/78/558993778.db2.gz DOLFEVXQBKQDRD-DUXBZUBYSA-N 0 0 406.574 4.500 50 0 HJAARN COc1cc(Cl)c(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1OC ZINC000023054287 558994557 /nfs/dbraw/zinc/99/45/57/558994557.db2.gz NSKBNMHYNUEQMF-UHFFFAOYSA-N 0 0 404.825 4.723 50 0 HJAARN CCOc1ccc(NC(=O)N2CC[C@@H](n3c(-c4ccco4)nc4cccnc43)C2)cc1 ZINC000097124171 558995846 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COc1cccc(C(=O)Nc2c(-c3ccc(F)cc3)nc3cc(C)ccn32)c1OC ZINC000004790914 559065565 /nfs/dbraw/zinc/06/55/65/559065565.db2.gz PHTLZXPRLOSSKX-UHFFFAOYSA-N 0 0 405.429 4.718 50 0 HJAARN COc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2ccc(F)cc2)cc1OC ZINC000004791115 559065668 /nfs/dbraw/zinc/06/56/68/559065668.db2.gz ZPUKLLQRNGDLIV-UHFFFAOYSA-N 0 0 405.429 4.718 50 0 HJAARN C[C@@H](OC(=O)c1cc(-c2ccco2)nc2ccccc21)C(=O)N[C@H](C)c1ccccc1 ZINC000011398456 559070514 /nfs/dbraw/zinc/07/05/14/559070514.db2.gz NBZRNBJXUYDXBC-IAGOWNOFSA-N 0 0 414.461 4.918 50 0 HJAARN O=S(=O)(Oc1c(F)c(F)c(F)c(F)c1F)c1ccc(-c2ccccc2)cc1 ZINC000091293229 559070817 /nfs/dbraw/zinc/07/08/17/559070817.db2.gz CHFIMSUQBQLBQX-UHFFFAOYSA-N 0 0 400.324 4.817 50 0 HJAARN CC(C)(C)OC(=O)N1CCN(c2ccc(C(F)(F)F)cc2Br)CC1 ZINC000095081626 559079264 /nfs/dbraw/zinc/07/92/64/559079264.db2.gz VFSJEOCGARHJLT-UHFFFAOYSA-N 0 0 409.246 4.525 50 0 HJAARN CCOc1ccc2nc(S[C@@H]3CC(=O)N(c4ccc(C)cc4C)C3=O)sc2c1 ZINC000095393633 559080981 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0 HJAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccccc3F)C(=O)C2)cc1 ZINC000102529460 560812996 /nfs/dbraw/zinc/81/29/96/560812996.db2.gz BIRFWGQILHWCRM-UHFFFAOYSA-N 0 0 401.441 4.630 50 0 HJAARN Cc1ccccc1NC(=O)CN1c2ccccc2N=C(c2ccc(F)cc2)CC1=O ZINC000102529668 560813027 /nfs/dbraw/zinc/81/30/27/560813027.db2.gz IAQNYWSHKRYKNQ-UHFFFAOYSA-N 0 0 401.441 4.630 50 0 HJAARN Cc1cccc(C)c1NC(=O)CN1c2ccccc2N=C(c2ccc(F)cc2)CC1=O ZINC000102529695 560813041 /nfs/dbraw/zinc/81/30/41/560813041.db2.gz NYESWLLSWUXITA-UHFFFAOYSA-N 0 0 415.468 4.939 50 0 HJAARN O=C(CN1c2ccccc2N=C(c2ccc(F)cc2)CC1=O)Nc1cc(F)ccc1F ZINC000102529787 560813174 /nfs/dbraw/zinc/81/31/74/560813174.db2.gz UUENPXGWOWEYEV-UHFFFAOYSA-N 0 0 423.394 4.600 50 0 HJAARN O=C1CCCC2=Nc3nc(SCc4ccccc4)nn3[C@@H](c3cccc(O)c3)C12 ZINC000102673330 560819557 /nfs/dbraw/zinc/81/95/57/560819557.db2.gz DMSYZEZKTUZZDW-FQEVSTJZSA-N 0 0 404.495 4.948 50 0 HJAARN COc1ccc(-c2csc(C3=C(N)N(c4ccc(OC)cc4OC)CC3=O)n2)cc1 ZINC000102722683 560821621 /nfs/dbraw/zinc/82/16/21/560821621.db2.gz PTTOSXFQMWYKFM-UHFFFAOYSA-N 0 0 423.494 4.602 50 0 HJAARN COc1cccc([C@@H]2Nc3nonc3N=C3C[C@H](c4cccs4)CC(=O)C32)c1OC ZINC000102740700 560823572 /nfs/dbraw/zinc/82/35/72/560823572.db2.gz LKOILKYLAUZILG-VOJFVSQTSA-N 0 0 424.482 4.777 50 0 HJAARN COc1ccc([C@@H]2Nc3nonc3N=C3C[C@@H](c4cccs4)CC(=O)C32)c(OC)c1 ZINC000102738486 560824705 /nfs/dbraw/zinc/82/47/05/560824705.db2.gz PXVWUDVTKJICNL-WYRIXSBYSA-N 0 0 424.482 4.777 50 0 HJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc(F)c3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102759872 560825979 /nfs/dbraw/zinc/82/59/79/560825979.db2.gz CGTHHUAWOJLGOO-PCCBWWKXSA-N 0 0 422.843 4.530 50 0 HJAARN Cc1ccc(N(CCc2ccccc2F)[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000102846242 560829905 /nfs/dbraw/zinc/82/99/05/560829905.db2.gz YETCJOMBRFPBEX-QHCPKHFHSA-N 0 0 402.469 4.515 50 0 HJAARN CCc1nnc2sc(-c3ccc(CNC(=O)c4ccc(C(C)(C)C)cc4)cc3)nn12 ZINC000013954854 560830798 /nfs/dbraw/zinc/83/07/98/560830798.db2.gz PBXSYPTZWDOWCJ-UHFFFAOYSA-N 0 0 419.554 4.643 50 0 HJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)c(F)c1 ZINC000103001880 560836402 /nfs/dbraw/zinc/83/64/02/560836402.db2.gz UATSXNGJSNRLHJ-NJDAHSKKSA-N 0 0 422.843 4.530 50 0 HJAARN C[C@H](Sc1nnc(-c2ccccc2Cl)n1C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000104749559 560854048 /nfs/dbraw/zinc/85/40/48/560854048.db2.gz GBFFUCHKVKZINZ-AYMQEEERSA-N 0 0 406.983 4.557 50 0 HJAARN CC(=O)N(c1nc(/C=C/C(=O)NC[C@@H](C)c2ccccc2)cs1)c1ccccc1F ZINC000015744482 560856085 /nfs/dbraw/zinc/85/60/85/560856085.db2.gz ZFLLDZGLYADYPE-CJTWTEFWSA-N 0 0 423.513 4.900 50 0 HJAARN CC(C)OCCCNC(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000015913789 560857332 /nfs/dbraw/zinc/85/73/32/560857332.db2.gz ICXFTTJUVHTCPG-VAWYXSNFSA-N 0 0 409.555 4.604 50 0 HJAARN CCc1ccc(-c2noc(CCC(=O)Nc3ccc(N4CCCCC4)cc3)n2)cc1 ZINC000014857302 560871718 /nfs/dbraw/zinc/87/17/18/560871718.db2.gz ITKCIGMFMLYKHV-UHFFFAOYSA-N 0 0 404.514 4.861 50 0 HJAARN Cc1ccc(NC(=O)NCCn2c(-c3ccc(F)cc3)nc3cccnc32)c(C)c1 ZINC000046913305 560878764 /nfs/dbraw/zinc/87/87/64/560878764.db2.gz OXFVHOWZXYLKGA-UHFFFAOYSA-N 0 0 403.461 4.676 50 0 HJAARN O=C([C@@H]1CCCN(c2ncccc2C(F)(F)F)C1)N1CCC[C@@H]1c1ccsc1 ZINC000046914538 560879265 /nfs/dbraw/zinc/87/92/65/560879265.db2.gz QGZOJZOHDLBUKU-RHSMWYFYSA-N 0 0 409.477 4.742 50 0 HJAARN Cc1cc(C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)c2nc3n(c2n1)CCCCC3 ZINC000047123221 560880621 /nfs/dbraw/zinc/88/06/21/560880621.db2.gz XNQFPLKGSZLOIZ-UHFFFAOYSA-N 0 0 419.529 4.621 50 0 HJAARN Cc1ccn(C[C@@H](C)CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)n1 ZINC000020616408 560885876 /nfs/dbraw/zinc/88/58/76/560885876.db2.gz KIJXJFWWDTVOPS-SFHVURJKSA-N 0 0 414.553 4.877 50 0 HJAARN C[C@H]1CCCCN1C(=O)Cn1c2ccccc2nc1SCCOc1ccccc1 ZINC000012062258 560888307 /nfs/dbraw/zinc/88/83/07/560888307.db2.gz CTADOPDSEXHTFN-SFHVURJKSA-N 0 0 409.555 4.608 50 0 HJAARN CCN(CC)C(=O)Cn1c2ccccc2nc1SCCOc1cc(C)ccc1C ZINC000012062289 560888331 /nfs/dbraw/zinc/88/83/31/560888331.db2.gz HPRRYZIANBCGLS-UHFFFAOYSA-N 0 0 411.571 4.693 50 0 HJAARN COc1cc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)ccc1N1CCCC1=O ZINC000012073454 560888625 /nfs/dbraw/zinc/88/86/25/560888625.db2.gz VKLDVFFFQYBTJL-UHFFFAOYSA-N 0 0 420.490 4.695 50 0 HJAARN CCCCc1ccc(NC(=O)c2cc(=O)c(OCc3cccc(OC)c3)c[nH]2)cc1 ZINC000012169481 560890680 /nfs/dbraw/zinc/89/06/80/560890680.db2.gz SMZQYMCUEWRNRZ-UHFFFAOYSA-N 0 0 406.482 4.970 50 0 HJAARN CCOc1ccc(-c2nc(CN3c4ccccc4[C@@H](C(N)=O)C[C@H]3C)cs2)cc1 ZINC000106569863 560892518 /nfs/dbraw/zinc/89/25/18/560892518.db2.gz JKENDNPRRLVPKG-QRWLVFNGSA-N 0 0 407.539 4.577 50 0 HJAARN CCCOc1cc(Nc2ccc(NC(=O)Nc3cccc(OC)c3)cc2)nc(C)n1 ZINC000012225944 560894231 /nfs/dbraw/zinc/89/42/31/560894231.db2.gz OECSEQSPEOZLJE-UHFFFAOYSA-N 0 0 407.474 4.970 50 0 HJAARN COc1ccc(Br)c(C(=O)N2CCS[C@H](c3ccccc3)CC2)c1 ZINC000211139427 560895142 /nfs/dbraw/zinc/89/51/42/560895142.db2.gz QIGCCKGDPZXDNQ-SFHVURJKSA-N 0 0 406.345 4.778 50 0 HJAARN CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2c3ccccc3nc3c2CCCC3)c1 ZINC000005753294 568419028 /nfs/dbraw/zinc/41/90/28/568419028.db2.gz CIVKQWWCNYYFRC-INIZCTEOSA-N 0 0 416.477 4.500 50 0 HJAARN Cc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(C)cc4C)cc3n2)cc1 ZINC000005753651 568421343 /nfs/dbraw/zinc/42/13/43/568421343.db2.gz FXTFXPPWXGOLQS-UHFFFAOYSA-N 0 0 400.482 4.672 50 0 HJAARN O=C1C(=O)N(Cc2ccc3c(c2)OCO3)[C@@H](c2ccc(F)cc2)C1c1ccccc1 ZINC000045942345 568422434 /nfs/dbraw/zinc/42/24/34/568422434.db2.gz RSRNQVRTGCQEQF-QFIPXVFZSA-N 0 0 403.409 4.607 50 0 HJAARN COc1ccc(C2C(=O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2F)cc1 ZINC000045942530 568422535 /nfs/dbraw/zinc/42/25/35/568422535.db2.gz YVYAFYHOUZYCMW-QFIPXVFZSA-N 0 0 405.425 4.900 50 0 HJAARN Cc1cccc(C(=O)N(Cc2nc3nc(C)cc(C)n3n2)c2ccccc2Cl)c1 ZINC000046020698 568424120 /nfs/dbraw/zinc/42/41/20/568424120.db2.gz ZDSQQSRGSGGILH-UHFFFAOYSA-N 0 0 405.889 4.550 50 0 HJAARN O=C(CSC1=NC2(CCCC2)N=C1c1cccs1)Nc1ccc(F)cc1F ZINC000046022408 568424173 /nfs/dbraw/zinc/42/41/73/568424173.db2.gz KGZNEEUZAGIUCN-UHFFFAOYSA-N 0 0 405.495 4.870 50 0 HJAARN COc1cccc(Nc2c3c(nc4nc(Cc5ccc(Cl)cc5)nn42)CCC3)c1 ZINC000046022892 568424334 /nfs/dbraw/zinc/42/43/34/568424334.db2.gz YSUMDCIIRKDBGL-UHFFFAOYSA-N 0 0 405.889 4.609 50 0 HJAARN Cc1ccc(CN(Cc2ccccc2)Cc2cc(=O)n3nc(C(C)C)sc3n2)cc1 ZINC000046032340 568424772 /nfs/dbraw/zinc/42/47/72/568424772.db2.gz DFVTUTYPBLGMRO-UHFFFAOYSA-N 0 0 418.566 4.785 50 0 HJAARN CCc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000046043913 568424871 /nfs/dbraw/zinc/42/48/71/568424871.db2.gz CHFWLXXALWMDFC-KRWDZBQOSA-N 0 0 404.432 4.759 50 0 HJAARN CCOc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3cccc4ccccc43)C2)cc1 ZINC000046045107 568425078 /nfs/dbraw/zinc/42/50/78/568425078.db2.gz YSLKKUUAWRTXDX-OAQYLSRUSA-N 0 0 416.521 4.658 50 0 HJAARN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)C2)c1 ZINC000046045386 568425157 /nfs/dbraw/zinc/42/51/57/568425157.db2.gz BXPFPXNDLYOFRQ-MRXNPFEDSA-N 0 0 404.432 4.813 50 0 HJAARN Cc1ccc2c(=O)c(C(=O)c3cccc(Cl)c3)cn(Cc3ccc(F)cc3)c2n1 ZINC000046053750 568425503 /nfs/dbraw/zinc/42/55/03/568425503.db2.gz SYMKSCNBGDHWDC-UHFFFAOYSA-N 0 0 406.844 4.777 50 0 HJAARN Cc1ccc(C(=O)c2cn(Cc3cccc(F)c3)c3nc(C)ccc3c2=O)c(C)c1 ZINC000046053806 568425605 /nfs/dbraw/zinc/42/56/05/568425605.db2.gz XQTPJGHFMIZYID-UHFFFAOYSA-N 0 0 400.453 4.740 50 0 HJAARN CCCOc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(C)c2)cc1 ZINC000046056818 568426063 /nfs/dbraw/zinc/42/60/63/568426063.db2.gz LEKHHVYCFWCJIC-NRFANRHFSA-N 0 0 417.509 4.895 50 0 HJAARN Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](C(=O)c1ccc(C)cc1)CC(=O)N2 ZINC000046056978 568426083 /nfs/dbraw/zinc/42/60/83/568426083.db2.gz GIDFLOYRMILZOY-KRWDZBQOSA-N 0 0 424.298 4.560 50 0 HJAARN COc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(C)c2)c1 ZINC000046078698 568427567 /nfs/dbraw/zinc/42/75/67/568427567.db2.gz XIBOZLHXIQUVRI-UHFFFAOYSA-N 0 0 400.478 4.849 50 0 HJAARN Cc1ccc(CNC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1 ZINC000046078931 568427626 /nfs/dbraw/zinc/42/76/26/568427626.db2.gz UIQRHRLOBGDGGZ-UHFFFAOYSA-N 0 0 402.469 4.657 50 0 HJAARN COc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1 ZINC000046079002 568427632 /nfs/dbraw/zinc/42/76/32/568427632.db2.gz KSRXLDHPQWYFCB-UHFFFAOYSA-N 0 0 404.441 4.680 50 0 HJAARN CCCCOc1ccc(-c2cc(C(=O)Nc3nnc(CCCC)s3)no2)cc1 ZINC000046086374 568428089 /nfs/dbraw/zinc/42/80/89/568428089.db2.gz CZVHKMPSLFJGCE-UHFFFAOYSA-N 0 0 400.504 4.967 50 0 HJAARN O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccccc1OC[C@H]1CCCO1 ZINC000048234615 568432585 /nfs/dbraw/zinc/43/25/85/568432585.db2.gz JQAXQXYWJQHUMF-QAPCUYQASA-N 0 0 403.931 4.865 50 0 HJAARN CN(c1ccc(NC(=O)NC[C@@H](O)c2ccc(F)cc2)cc1F)C1CCCCC1 ZINC000048237657 568433068 /nfs/dbraw/zinc/43/30/68/568433068.db2.gz AFFJPECNLHHQNJ-OAQYLSRUSA-N 0 0 403.473 4.589 50 0 HJAARN CN(C[C@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1)C(=O)OC(C)(C)C ZINC000048276507 568435649 /nfs/dbraw/zinc/43/56/49/568435649.db2.gz JFDKEFSDYLPBFK-MRXNPFEDSA-N 0 0 415.559 4.529 50 0 HJAARN CC(=O)Nc1cccc([C@H](C)OC(=O)c2ccc(CNC(=O)c3cccs3)cc2)c1 ZINC000048309354 568436325 /nfs/dbraw/zinc/43/63/25/568436325.db2.gz MHULTSQGQRHQND-HNNXBMFYSA-N 0 0 422.506 4.555 50 0 HJAARN COCCOc1cc(C)ccc1NC(=O)c1nn(-c2ccccc2)c2c1CCCCC2 ZINC000048300021 568437208 /nfs/dbraw/zinc/43/72/08/568437208.db2.gz JYAKGNMBILVUIT-UHFFFAOYSA-N 0 0 419.525 4.727 50 0 HJAARN CCN(C(=O)C1CCN(c2ncnc3sc(C)c(C)c32)CC1)c1ccccc1C ZINC000048300618 568437376 /nfs/dbraw/zinc/43/73/76/568437376.db2.gz NOQRPEQMNRINRN-UHFFFAOYSA-N 0 0 408.571 4.886 50 0 HJAARN Cc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)c(Br)c1 ZINC000051364571 568438276 /nfs/dbraw/zinc/43/82/76/568438276.db2.gz LANJSGYDPUPHGZ-MRXNPFEDSA-N 0 0 423.310 4.916 50 0 HJAARN Cc1ccc(C(=O)C2CCN(C(=O)Nc3cccc(-n4cccn4)c3)CC2)c(C)c1 ZINC000048333261 568439473 /nfs/dbraw/zinc/43/94/73/568439473.db2.gz VFNPPYUWGPEFCC-UHFFFAOYSA-N 0 0 402.498 4.616 50 0 HJAARN COc1cccc(COCC(=O)Nc2ccc(C)cc2-c2nc3ccccc3[nH]2)c1 ZINC000048361515 568441241 /nfs/dbraw/zinc/44/12/41/568441241.db2.gz LSFFUWCCQUGYJZ-UHFFFAOYSA-N 0 0 401.466 4.702 50 0 HJAARN Cc1cc(NC(=O)c2cc(F)c(Cl)cc2Cl)ccc1NC(=O)Cn1cccn1 ZINC000048373868 568442270 /nfs/dbraw/zinc/44/22/70/568442270.db2.gz BLGSQXYKXVTMTA-UHFFFAOYSA-N 0 0 421.259 4.528 50 0 HJAARN CC[C@@H](NC(=O)Cc1csc(NC(=O)c2ccoc2C)n1)c1ccc(Cl)cc1 ZINC000048374994 568442347 /nfs/dbraw/zinc/44/23/47/568442347.db2.gz FQZRBBGPGBPHSB-QGZVFWFLSA-N 0 0 417.918 4.760 50 0 HJAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000048374754 568442553 /nfs/dbraw/zinc/44/25/53/568442553.db2.gz KDDHCYNAXCSMEL-KUHUBIRLSA-N 0 0 413.880 4.575 50 0 HJAARN CC(C)[C@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1cccs1 ZINC000048374875 568442592 /nfs/dbraw/zinc/44/25/92/568442592.db2.gz RLBAVHGUKAMOHC-NRFANRHFSA-N 0 0 413.564 4.849 50 0 HJAARN O=C(/C=C/c1c(F)cccc1Cl)OCC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000005278892 568443046 /nfs/dbraw/zinc/44/30/46/568443046.db2.gz JCHMDGXWCPBXRB-VAWYXSNFSA-N 0 0 416.880 4.665 50 0 HJAARN CC(C)(C)c1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(N)=O)cc1 ZINC000005516945 568446975 /nfs/dbraw/zinc/44/69/75/568446975.db2.gz HTSWUHRYGGCYRZ-SAPNQHFASA-N 0 0 414.505 4.661 50 0 HJAARN Cc1ccc(CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2cccn3cnnc23)cc1 ZINC000049404979 568448622 /nfs/dbraw/zinc/44/86/22/568448622.db2.gz WPCXRPVKYJMMLZ-UHFFFAOYSA-N 0 0 420.538 4.557 50 0 HJAARN CCCC(=O)Nc1ccc(S[C@@H]2CC(=O)N(c3c(C)cccc3CC)C2=O)cc1 ZINC000113627026 568453350 /nfs/dbraw/zinc/45/33/50/568453350.db2.gz SPCWQFDWDOQHAK-LJQANCHMSA-N 0 0 410.539 4.720 50 0 HJAARN Cc1cc(C(=O)Nc2ccc3oc(-c4cc(F)ccc4Br)nc3c2)on1 ZINC000049733327 568453363 /nfs/dbraw/zinc/45/33/63/568453363.db2.gz FHAWPYKZYIPGTI-UHFFFAOYSA-N 0 0 416.206 4.945 50 0 HJAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)Nc1ccccc1 ZINC000006531643 568455389 /nfs/dbraw/zinc/45/53/89/568455389.db2.gz CRLKWGSLJPDPEU-UHFFFAOYSA-N 0 0 418.497 4.863 50 0 HJAARN COCCCNC(=O)/C(=C/c1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1 ZINC000006657774 568457088 /nfs/dbraw/zinc/45/70/88/568457088.db2.gz GTPWDHDBVRVZGI-SDNWHVSQSA-N 0 0 404.297 4.563 50 0 HJAARN CC(=O)N[C@@H](CC(=O)N[C@@H](c1cccs1)c1ccccc1)c1ccc(Cl)cc1 ZINC000012270510 568457240 /nfs/dbraw/zinc/45/72/40/568457240.db2.gz ZWNSVHKBCYVGDS-SIKLNZKXSA-N 0 0 412.942 4.875 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)CSc1ncnc2sc3c(c21)CCCC3 ZINC000000648818 568457585 /nfs/dbraw/zinc/45/75/85/568457585.db2.gz CTOBUBVMZRWAGY-UHFFFAOYSA-N 0 0 419.959 4.963 50 0 HJAARN O=C(Nc1ccc([C@H]2SCC(=O)N2c2ccccc2F)cc1)c1ccccc1F ZINC000006705441 568457903 /nfs/dbraw/zinc/45/79/03/568457903.db2.gz APYVPIWYDMXQPM-JOCHJYFZSA-N 0 0 410.445 4.996 50 0 HJAARN COc1ccc(-c2ccc3c(N)c(C(=O)NCCc4ccc(F)cc4)sc3n2)cc1 ZINC000000661511 568460128 /nfs/dbraw/zinc/46/01/28/568460128.db2.gz DJPIOMXMLHVOSP-UHFFFAOYSA-N 0 0 421.497 4.666 50 0 HJAARN O=C(NCc1cccs1)c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000000674417 568461145 /nfs/dbraw/zinc/46/11/45/568461145.db2.gz YLYOLGJBIXUJEP-JSGCOSHPSA-N 0 0 412.462 4.596 50 0 HJAARN Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)NCc2ccc(Cl)cc2)cc1C ZINC000000688993 568461790 /nfs/dbraw/zinc/46/17/90/568461790.db2.gz KTDFWWVWUZSITO-FYJGNVAPSA-N 0 0 408.885 4.637 50 0 HJAARN CCN(CC)S(=O)(=O)c1ccc(-c2csc(Nc3ccccc3OC)n2)cc1 ZINC000000712707 568465376 /nfs/dbraw/zinc/46/53/76/568465376.db2.gz JFOVLJBBKLGPIL-UHFFFAOYSA-N 0 0 417.556 4.593 50 0 HJAARN O=C(NC(=O)c1ccc(C(F)(F)F)cc1)Nc1ccc(OC(F)(F)Cl)cc1 ZINC000000718837 568466027 /nfs/dbraw/zinc/46/60/27/568466027.db2.gz MIEZTZAORVQWDW-UHFFFAOYSA-N 0 0 408.710 4.835 50 0 HJAARN CCCn1c2ccccc2c2nnc(SCC(=O)Nc3c(C)cccc3C)nc21 ZINC000000720787 568466361 /nfs/dbraw/zinc/46/63/61/568466361.db2.gz GYEAEOJNBVPEKM-UHFFFAOYSA-N 0 0 405.527 4.737 50 0 HJAARN O=C(CSc1nc2ccccc2n1CCc1ccccc1)N1CCc2ccccc21 ZINC000012312238 568466590 /nfs/dbraw/zinc/46/65/90/568466590.db2.gz FVCGYNYMQSFNBG-UHFFFAOYSA-N 0 0 413.546 4.960 50 0 HJAARN CC(C)Cc1nc2oc3c(ncn(Cc4ccccc4)c3=O)c2c2c1COC(C)(C)C2 ZINC000012325050 568471731 /nfs/dbraw/zinc/47/17/31/568471731.db2.gz UWGAKHABNHSRLP-UHFFFAOYSA-N 0 0 417.509 4.636 50 0 HJAARN Brc1ccc2nc(-n3nnc4ccccc43)nc(-c3ccccc3)c2c1 ZINC000000753979 568471776 /nfs/dbraw/zinc/47/17/76/568471776.db2.gz DSPLMVUYTQAOJR-UHFFFAOYSA-N 0 0 402.255 4.793 50 0 HJAARN Cc1ccc(Sc2ccc(N[C@@H](C)C(=O)Nc3ccc(C(N)=O)cc3)cc2)c(C)c1 ZINC000007243479 568476856 /nfs/dbraw/zinc/47/68/56/568476856.db2.gz IDTSXPBKPXISDH-KRWDZBQOSA-N 0 0 419.550 4.993 50 0 HJAARN O=C(OCc1cc2c(c(Cl)c1)OCO2)c1cccnc1Nc1cccc(F)c1 ZINC000051744244 568477340 /nfs/dbraw/zinc/47/73/40/568477340.db2.gz XDZIHORQZIWZCA-UHFFFAOYSA-N 0 0 400.793 4.703 50 0 HJAARN COc1ccc(Oc2coc3cc(OCC(=O)Nc4ccccc4)ccc3c2=O)cc1 ZINC000000790779 568478917 /nfs/dbraw/zinc/47/89/17/568478917.db2.gz QKIAYDQJQGIUHT-UHFFFAOYSA-N 0 0 417.417 4.611 50 0 HJAARN O=C(CN1CC=C(c2ccccc2)CC1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000007647361 568483290 /nfs/dbraw/zinc/48/32/90/568483290.db2.gz CHRCJRUKGHCPIX-UHFFFAOYSA-N 0 0 417.578 4.792 50 0 HJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nc(C3CC3)n(-c3ccccc3)n2)c1C ZINC000007733726 568483929 /nfs/dbraw/zinc/48/39/29/568483929.db2.gz RSEFEARQHLAODV-HNNXBMFYSA-N 0 0 408.527 4.656 50 0 HJAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)Nc1cccc(F)c1 ZINC000007790031 568484884 /nfs/dbraw/zinc/48/48/84/568484884.db2.gz WKUKAFICBBETSQ-UHFFFAOYSA-N 0 0 407.474 4.631 50 0 HJAARN O=C(Nc1ccccc1F)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000005773393 568485798 /nfs/dbraw/zinc/48/57/98/568485798.db2.gz LRVBMEGKSNCXOG-QHCPKHFHSA-N 0 0 406.482 4.852 50 0 HJAARN O=C(NC[C@](O)(c1ccsc1)c1ccco1)C1c2ccccc2Oc2ccccc21 ZINC000390827928 568491517 /nfs/dbraw/zinc/49/15/17/568491517.db2.gz MFCVALYHJIYNAV-DEOSSOPVSA-N 0 0 417.486 4.631 50 0 HJAARN COc1ccc([C@@H](NC(=O)N2CCc3c([nH]c4ccccc43)C2)C(C)C)cc1OC ZINC000604403906 568492313 /nfs/dbraw/zinc/49/23/13/568492313.db2.gz DEFSFASOKJKJBR-QHCPKHFHSA-N 0 0 407.514 4.650 50 0 biogenic HJAARN CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCCC[C@H]2CSC(C)(C)C)CC1 ZINC000390829763 568492683 /nfs/dbraw/zinc/49/26/83/568492683.db2.gz GKIJRXDKQQKUKC-SFHVURJKSA-N 0 0 412.640 4.936 50 0 HJAARN O=C(CNc1ccc(Cl)cc1F)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000008192075 568493636 /nfs/dbraw/zinc/49/36/36/568493636.db2.gz OUOHMSCOKDRQQG-INIZCTEOSA-N 0 0 403.866 4.923 50 0 HJAARN Cc1ccc(C)c(-c2nn(CC(=O)N3c4ccccc4C[C@@H]3C)c(=O)c3ccccc32)c1 ZINC000008242462 568493825 /nfs/dbraw/zinc/49/38/25/568493825.db2.gz CWZVLCQJTCZPQL-IBGZPJMESA-N 0 0 423.516 4.658 50 0 HJAARN CC(=O)n1cc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)c(-c2ccccc2)n1 ZINC000000824647 568499079 /nfs/dbraw/zinc/49/90/79/568499079.db2.gz PVOGIFXSMQRQFU-STZFKDTASA-N 0 0 413.477 4.852 50 0 HJAARN Cc1nc(N2CCC(NC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc(C(F)(F)F)n1 ZINC000221644209 568510153 /nfs/dbraw/zinc/51/01/53/568510153.db2.gz QNFMEPUSWWOVIZ-UHFFFAOYSA-N 0 0 420.479 4.500 50 0 HJAARN C[C@H](Cc1ccco1)NC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983883 568510173 /nfs/dbraw/zinc/51/01/73/568510173.db2.gz BJLMOJFECGRFDX-SFDYMUJDSA-N 0 0 422.868 4.666 50 0 HJAARN CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(-n2cnnc2)c1 ZINC000033087408 568510862 /nfs/dbraw/zinc/51/08/62/568510862.db2.gz YZRFISFXBSAWTA-CYBMUJFWSA-N 0 0 402.857 4.591 50 0 HJAARN O=c1[nH]c2cc(Cl)c(Cl)cc2nc1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000033140484 568511475 /nfs/dbraw/zinc/51/14/75/568511475.db2.gz MTGHWTVUKMRIRH-UHFFFAOYSA-N 0 0 423.731 4.618 50 0 HJAARN COc1ccc(NC(=O)CSc2ncnc3c4cc(F)ccc4[nH]c32)cc1Cl ZINC000033172608 568511667 /nfs/dbraw/zinc/51/16/67/568511667.db2.gz AHZGEVPSVUBVSS-UHFFFAOYSA-N 0 0 416.865 4.643 50 0 HJAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000033173540 568511713 /nfs/dbraw/zinc/51/17/13/568511713.db2.gz DCWRCFLPJWFGOK-UHFFFAOYSA-N 0 0 424.444 4.744 50 0 HJAARN CCOc1ccccc1Nc1nc(N)c(C(=O)c2cccc(Br)c2)s1 ZINC000033251761 568511966 /nfs/dbraw/zinc/51/19/66/568511966.db2.gz QSOUQWSFHCZHQL-UHFFFAOYSA-N 0 0 418.316 4.861 50 0 HJAARN COc1cccc(Nc2ccc3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc3n2)c1 ZINC000033250500 568511983 /nfs/dbraw/zinc/51/19/83/568511983.db2.gz SEEVJVSHXKPFGD-INIZCTEOSA-N 0 0 411.527 4.550 50 0 HJAARN CCOc1ccc(C(=O)N2CCc3nc(-c4ccc(OCC)cc4)sc3C2)cc1 ZINC000033255859 568512588 /nfs/dbraw/zinc/51/25/88/568512588.db2.gz HXJGAYDUBFHQMQ-UHFFFAOYSA-N 0 0 408.523 4.806 50 0 HJAARN CCOC(=O)c1cccc(NC(=O)c2cc3nc(N4CCCCC4)sc3s2)c1 ZINC000033300996 568513365 /nfs/dbraw/zinc/51/33/65/568513365.db2.gz MKIIOMWFHMNHKY-UHFFFAOYSA-N 0 0 415.540 4.777 50 0 HJAARN C[C@@H]1CCC[C@H](NC(=O)c2cc3c(s2)-c2ccc(Cl)cc2S(=O)(=O)C3)[C@@H]1C ZINC000033316502 568513718 /nfs/dbraw/zinc/51/37/18/568513718.db2.gz UAZGGIDTDZMTQK-HSMVNMDESA-N 0 0 423.987 4.910 50 0 HJAARN Cc1cc(=O)c(C(=O)N(C)C)c2n1-c1ccccc1S[C@@H](c1ccccc1Cl)C2 ZINC000014979316 568549090 /nfs/dbraw/zinc/54/90/90/568549090.db2.gz OPWRUJSHVXKELI-OAQYLSRUSA-N 0 0 424.953 4.891 50 0 HJAARN Cc1nc(COc2cccc(C)c2)sc1C(=O)Nc1nnc(CC(C)C)s1 ZINC000038548462 568578115 /nfs/dbraw/zinc/57/81/15/568578115.db2.gz JHYFZUPZCYHQFE-UHFFFAOYSA-N 0 0 402.545 4.641 50 0 HJAARN COc1c2c(cc3c1[C@H](CC(=O)c1cc(Cl)ccc1Cl)N(C)CC3)OCO2 ZINC000020113074 568589114 /nfs/dbraw/zinc/58/91/14/568589114.db2.gz DPAXTWIRFDWEOO-HNNXBMFYSA-N 0 0 408.281 4.533 50 0 biogenic HJAARN C[C@@H]1CCC[C@H](NC(=O)[C@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)[C@@H]1C ZINC000020152457 568590835 /nfs/dbraw/zinc/59/08/35/568590835.db2.gz ZOSJSAFCIBRODS-ZPGKAZOCSA-N 0 0 410.945 4.978 50 0 HJAARN O=C(/C=C/c1cc(F)ccc1F)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 ZINC000390826227 568591213 /nfs/dbraw/zinc/59/12/13/568591213.db2.gz FVFJTUPPDNKMCD-VMPITWQZSA-N 0 0 422.479 4.708 50 0 HJAARN Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(C)cc2)N2CCOCC2)c1C ZINC000020192390 568593639 /nfs/dbraw/zinc/59/36/39/568593639.db2.gz LSKZGAAFJPREHM-NRFANRHFSA-N 0 0 410.539 4.940 50 0 HJAARN COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(-c4ccc(F)cc4)o1)N(C)CC3)OCO2 ZINC000020281651 568596650 /nfs/dbraw/zinc/59/66/50/568596650.db2.gz NXTZENRKQHCIIQ-QGZVFWFLSA-N 0 0 423.440 4.625 50 0 biogenic HJAARN CCc1ccc2c(CNc3ccc(N4C[C@@H](C)O[C@@H](C)C4)c(F)c3)cc(=O)oc2c1 ZINC000095364979 568601971 /nfs/dbraw/zinc/60/19/71/568601971.db2.gz JXGOCZNXWMNTOX-IYBDPMFKSA-N 0 0 410.489 4.720 50 0 HJAARN CCc1ccc2c(CNc3ccc(N4C[C@H](C)O[C@@H](C)C4)c(F)c3)cc(=O)oc2c1 ZINC000095364981 568602010 /nfs/dbraw/zinc/60/20/10/568602010.db2.gz JXGOCZNXWMNTOX-HOTGVXAUSA-N 0 0 410.489 4.720 50 0 HJAARN COc1ccc(NC(=O)c2cc3c(s2)-c2ccccc2S(=O)(=O)C3)cc1Cl ZINC000020419002 568606581 /nfs/dbraw/zinc/60/65/81/568606581.db2.gz XDPVMSGHRLFGFP-UHFFFAOYSA-N 0 0 419.911 4.617 50 0 HJAARN C[C@@H](NC(=O)COc1ccccc1)c1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000020439700 568607368 /nfs/dbraw/zinc/60/73/68/568607368.db2.gz HAVIWWMQKIYRJC-QGZVFWFLSA-N 0 0 419.912 4.994 50 0 HJAARN CC(C)COc1ccc(C(=O)Nc2nc([C@@H]3COc4ccccc4O3)cs2)cc1 ZINC000020462954 568610023 /nfs/dbraw/zinc/61/00/23/568610023.db2.gz MHNJPAKHVKHKTN-FQEVSTJZSA-N 0 0 410.495 4.943 50 0 HJAARN O=C(CCN1c2cccnc2Sc2ccccc2C1=O)Nc1cc(F)ccc1F ZINC000020512187 568621978 /nfs/dbraw/zinc/62/19/78/568621978.db2.gz XEEFSXPNWXXMFM-UHFFFAOYSA-N 0 0 411.433 4.500 50 0 HJAARN COc1cc(NC(=O)N2CCCC[C@H]2CCc2ccccc2)ccc1N1CCCC1=O ZINC000095467041 568624500 /nfs/dbraw/zinc/62/45/00/568624500.db2.gz WWNKTLGWQRFIOI-NRFANRHFSA-N 0 0 421.541 4.841 50 0 HJAARN CCOc1cc(CN[C@@H](C)c2ncc(C)o2)ccc1OCCOc1ccc(F)cc1 ZINC000095468631 568625378 /nfs/dbraw/zinc/62/53/78/568625378.db2.gz DMNJBEHCXPBJHN-KRWDZBQOSA-N 0 0 414.477 4.829 50 0 HJAARN COC(=O)C[C@@H](c1ccsc1)c1oc(CSc2ccccc2F)cc(=O)c1O ZINC000095477717 568631252 /nfs/dbraw/zinc/63/12/52/568631252.db2.gz LPODZPUZQSOAAL-AWEZNQCLSA-N 0 0 420.483 4.533 50 0 HJAARN C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000095481641 568633763 /nfs/dbraw/zinc/63/37/63/568633763.db2.gz XMHRMSKBWYLULD-NSHDSACASA-N 0 0 408.310 4.840 50 0 HJAARN Cc1ccc(SCCC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1 ZINC000095482229 568634214 /nfs/dbraw/zinc/63/42/14/568634214.db2.gz QDRKMCJIUQYLFA-UHFFFAOYSA-N 0 0 401.919 4.839 50 0 HJAARN CC[C@@H](Oc1ccccc1Cl)C(=O)N(CC)Cc1nc(-c2cccs2)no1 ZINC000095482377 568634400 /nfs/dbraw/zinc/63/44/00/568634400.db2.gz WCULXHMLXKRASE-CQSZACIVSA-N 0 0 405.907 4.658 50 0 HJAARN O=C(CSCc1ccc(Cl)cc1Cl)NCc1nc(-c2cccs2)no1 ZINC000095482471 568634510 /nfs/dbraw/zinc/63/45/10/568634510.db2.gz RNIXNTOTVBBQPG-UHFFFAOYSA-N 0 0 414.339 4.655 50 0 HJAARN CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2cccc(OC)c2)no1 ZINC000095482410 568634541 /nfs/dbraw/zinc/63/45/41/568634541.db2.gz DYKJJJQDSDFICC-KRWDZBQOSA-N 0 0 417.918 4.586 50 0 HJAARN Cc1noc(C[C@H](NC(=O)c2cccc(Br)c2Cl)c2ccccc2)n1 ZINC000225442061 568638235 /nfs/dbraw/zinc/63/82/35/568638235.db2.gz SOYHVCHIDAXOAL-HNNXBMFYSA-N 0 0 420.694 4.508 50 0 HJAARN Cc1ccc(CCN2C(=O)c3ccccc3[C@@H]2C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 ZINC000020684362 568640272 /nfs/dbraw/zinc/64/02/72/568640272.db2.gz HQVRPXVOTTZCRR-PLXZFBFJSA-N 0 0 404.554 4.676 50 0 HJAARN O=C(NCc1ccccc1Cl)c1ccc(/C=C2\Oc3ccccc3NC2=O)cc1 ZINC000020729973 568640919 /nfs/dbraw/zinc/64/09/19/568640919.db2.gz SYJCIAABPXRNLH-BKUYFWCQSA-N 0 0 404.853 4.642 50 0 HJAARN O=C(c1cn(-c2ccc(Cl)c(Cl)c2)cn1)N1CCC[C@H](c2nccs2)C1 ZINC000225484606 568641874 /nfs/dbraw/zinc/64/18/74/568641874.db2.gz LQNBBVSIQKQDIS-LBPRGKRZSA-N 0 0 407.326 4.655 50 0 HJAARN CCOc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)c3ccccc3c2=O)cc1 ZINC000020768729 568643838 /nfs/dbraw/zinc/64/38/38/568643838.db2.gz DNDLBYSJFCBYMF-UHFFFAOYSA-N 0 0 419.868 4.690 50 0 HJAARN COc1ccc(OC)c(CN[C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)c1 ZINC000020853383 568645212 /nfs/dbraw/zinc/64/52/12/568645212.db2.gz NWDVIYYQAGVMQH-QFIPXVFZSA-N 0 0 419.456 4.772 50 0 HJAARN C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)Nc3cccc(F)c3)c1)c1ccccc1O2 ZINC000020854624 568645540 /nfs/dbraw/zinc/64/55/40/568645540.db2.gz UTAVHBAOSUGFSU-HYBUGGRVSA-N 0 0 417.440 4.848 50 0 HJAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1ccc(C)cc1)SCC(=O)N2 ZINC000020891083 568647811 /nfs/dbraw/zinc/64/78/11/568647811.db2.gz SCFATSQOEMBDHD-LJQANCHMSA-N 0 0 406.536 4.874 50 0 HJAARN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cccc(F)c1F)SCC(=O)N2 ZINC000020891970 568647902 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568730670 /nfs/dbraw/zinc/73/06/70/568730670.db2.gz BDYHXHOMLXFNBA-UHFFFAOYSA-N 0 0 408.479 4.896 50 0 HJAARN O=S(=O)(Cc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)o1)c1ccccc1 ZINC000096322671 568730748 /nfs/dbraw/zinc/73/07/48/568730748.db2.gz OHPPTIMWFMNJPE-UHFFFAOYSA-N 0 0 400.843 4.624 50 0 HJAARN CSc1cccc(NC(=O)N2CCN(Cc3nc4cc(Cl)ccc4o3)CC2)c1 ZINC000096323182 568731667 /nfs/dbraw/zinc/73/16/67/568731667.db2.gz DMJHJABKDWRASJ-UHFFFAOYSA-N 0 0 416.934 4.553 50 0 HJAARN COc1cccc(CNC(=O)Cn2cccc2-c2nc(-c3ccccc3)cs2)c1 ZINC000021656607 568732430 /nfs/dbraw/zinc/73/24/30/568732430.db2.gz PYCUPXGKKKIBHE-UHFFFAOYSA-N 0 0 403.507 4.604 50 0 HJAARN Cc1ccc(Nc2nc(C(=O)NCc3ccc4c(c3)OCO4)cc3occc32)cc1 ZINC000096323694 568732755 /nfs/dbraw/zinc/73/27/55/568732755.db2.gz UQJUOGIBXFGNBG-UHFFFAOYSA-N 0 0 401.422 4.539 50 0 HJAARN COc1cccc(C(=O)COc2cccc(-c3noc(-c4ccc(C)cc4)n3)c2)c1 ZINC000034680473 568733739 /nfs/dbraw/zinc/73/37/39/568733739.db2.gz QLUNMMDPOIREKR-UHFFFAOYSA-N 0 0 400.434 4.982 50 0 HJAARN COc1ccc(N(C(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000005794066 568733896 /nfs/dbraw/zinc/73/38/96/568733896.db2.gz GEWGMUBCZCWVFV-UHFFFAOYSA-N 0 0 415.898 4.693 50 0 aggregator HJAARN Cc1ccc(-n2c(SCC(=O)c3ccccc3)nc3ccccc3c2=O)c(C)c1 ZINC000005793630 568733988 /nfs/dbraw/zinc/73/39/88/568733988.db2.gz ZSJORHGVAXKKTP-UHFFFAOYSA-N 0 0 400.503 4.978 50 0 HJAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccccc3Cl)sc2c1 ZINC000021660606 568735608 /nfs/dbraw/zinc/73/56/08/568735608.db2.gz DAILWEBYAAIELX-AWEZNQCLSA-N 0 0 424.913 4.927 50 0 HJAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@@H](c1cc(F)ccc1F)CC(=O)N2 ZINC000021661012 568735780 /nfs/dbraw/zinc/73/57/80/568735780.db2.gz VTQNVZAADUIBFO-CQSZACIVSA-N 0 0 410.449 4.851 50 0 HJAARN O=c1c2ccccc2nc(SCCCO)n1-c1ccc(Oc2ccccc2)cc1 ZINC000025041510 568736237 /nfs/dbraw/zinc/73/62/37/568736237.db2.gz ANYRPRBFSJMALT-UHFFFAOYSA-N 0 0 404.491 4.653 50 0 HJAARN CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccc(F)c2)C12CCCC2 ZINC000096344494 568737340 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ZINC000003347555 568884928 /nfs/dbraw/zinc/88/49/28/568884928.db2.gz QZBYJCQAKKMRCY-UHFFFAOYSA-N 0 0 418.606 4.900 50 0 HJAARN Cc1cc(NC(=O)CSc2nc(C)nc3scc(-c4cccs4)c32)no1 ZINC000003350110 568885370 /nfs/dbraw/zinc/88/53/70/568885370.db2.gz RYUMWADTVPNXJV-UHFFFAOYSA-N 0 0 402.526 4.755 50 0 HJAARN CCOC(=O)CCCOC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 ZINC000003354063 568886285 /nfs/dbraw/zinc/88/62/85/568886285.db2.gz NRERQBVCKDLRKP-UHFFFAOYSA-N 0 0 406.891 4.549 50 0 HJAARN O=C(OCc1csc(-c2ccc(Cl)cc2)n1)c1ccc(N2CCCC2=O)cc1 ZINC000003356817 568886910 /nfs/dbraw/zinc/88/69/10/568886910.db2.gz DSPGQYHZANJXIQ-UHFFFAOYSA-N 0 0 412.898 4.947 50 0 HJAARN COc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1Cl ZINC000003357074 568886942 /nfs/dbraw/zinc/88/69/42/568886942.db2.gz PIFADWXDEIQCMR-FQEVSTJZSA-N 0 0 408.885 4.849 50 0 HJAARN CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nnc2c(Cl)cc(Cl)cn12 ZINC000003360417 568887924 /nfs/dbraw/zinc/88/79/24/568887924.db2.gz CFFZTZMBAUPTTD-UHFFFAOYSA-N 0 0 423.369 4.956 50 0 HJAARN C[C@@H](NC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c21)c1ccccc1 ZINC000003366232 568889041 /nfs/dbraw/zinc/88/90/41/568889041.db2.gz INDVMLDTRLSURH-CQSZACIVSA-N 0 0 407.470 4.754 50 0 HJAARN CCC(CC)c1nnc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)s1 ZINC000003397839 568895707 /nfs/dbraw/zinc/89/57/07/568895707.db2.gz XKXXXAROCCABMT-UHFFFAOYSA-N 0 0 418.526 4.942 50 0 HJAARN CC[C@@H](C)n1c(SCC(=O)Nc2ccccc2Cl)nc2ccccc2c1=O ZINC000003410521 568898148 /nfs/dbraw/zinc/89/81/48/568898148.db2.gz NMSHFKMABLZSMZ-CYBMUJFWSA-N 0 0 401.919 4.752 50 0 HJAARN O=C(CSc1nn(-c2ccc(Cl)cc2)c(=S)s1)N1CCc2ccccc21 ZINC000003427239 568900781 /nfs/dbraw/zinc/90/07/81/568900781.db2.gz CUVAEJCTULUCGH-UHFFFAOYSA-N 0 0 419.984 4.998 50 0 HJAARN Cc1cc(C(=O)CSc2nnc(Cc3ccccc3)o2)c(C)n1Cc1ccco1 ZINC000003428862 568901244 /nfs/dbraw/zinc/90/12/44/568901244.db2.gz BEOYDDCQQQAGNS-UHFFFAOYSA-N 0 0 407.495 4.695 50 0 HJAARN CSc1nc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(C)c4C)C3)cc2s1 ZINC000003435222 568902440 /nfs/dbraw/zinc/90/24/40/568902440.db2.gz CIBJDUSDCQTAJQ-CQSZACIVSA-N 0 0 411.552 4.627 50 0 HJAARN O=C(COC(=O)c1cc2c(s1)CCC2)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003440195 568903443 /nfs/dbraw/zinc/90/34/43/568903443.db2.gz RGKYYONTRHXNGX-UHFFFAOYSA-N 0 0 403.809 4.705 50 0 HJAARN Cc1cc2nnc(S[C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)n2c2ccccc12 ZINC000003444897 568904340 /nfs/dbraw/zinc/90/43/40/568904340.db2.gz RGOACMJTIJJKRS-CABCVRRESA-N 0 0 408.502 4.688 50 0 HJAARN CCOc1ccc2ccccc2c1C(=O)Nc1ccc(OC)c(N2CCCC2=O)c1 ZINC000005440880 568906612 /nfs/dbraw/zinc/90/66/12/568906612.db2.gz OMLDNTBNNWDNFO-UHFFFAOYSA-N 0 0 404.466 4.626 50 0 HJAARN CSCC[C@H](NC(=O)c1ccccc1C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000003457648 568906649 /nfs/dbraw/zinc/90/66/49/568906649.db2.gz AMNXMVNLDUDHNP-KRWDZBQOSA-N 0 0 410.461 4.504 50 0 HJAARN COc1cc2cc([C@@H]3CC(c4ccccc4)=NN3C(C)=O)c(Cl)nc2cc1OC ZINC000001241076 568907575 /nfs/dbraw/zinc/90/75/75/568907575.db2.gz NATFNDYXTFWVGX-IBGZPJMESA-N 0 0 409.873 4.603 50 0 HJAARN C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000003483946 568908626 /nfs/dbraw/zinc/90/86/26/568908626.db2.gz GUBFGXFVMDSYFC-QZTJIDSGSA-N 0 0 406.555 4.816 50 0 HJAARN CC1(C)Cc2c(sc3ncn4nc(-c5ccc6ccccc6c5O)nc4c23)CO1 ZINC000001251404 568908860 /nfs/dbraw/zinc/90/88/60/568908860.db2.gz CONHYMLKGLOHFH-UHFFFAOYSA-N 0 0 402.479 4.716 50 0 HJAARN COc1ccc([C@H]2Cn3cnc(-c4nc(-c5ccc(Cl)cc5)no4)c3CO2)cc1 ZINC000263617749 568911520 /nfs/dbraw/zinc/91/15/20/568911520.db2.gz PKWWEVOEXACIPD-GOSISDBHSA-N 0 0 408.845 4.534 50 0 HJAARN COc1ccc([C@H]2Cn3nc(-c4nc(-c5ccc(SC)cc5)no4)cc3CO2)cc1 ZINC000263617883 568911655 /nfs/dbraw/zinc/91/16/55/568911655.db2.gz QERVNRCLHCZCAS-HXUWFJFHSA-N 0 0 420.494 4.602 50 0 HJAARN COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1cccnc1SC)c1ccccc1 ZINC000003530035 568912859 /nfs/dbraw/zinc/91/28/59/568912859.db2.gz BQPQLQWWIDNGGU-HXUWFJFHSA-N 0 0 422.506 4.657 50 0 HJAARN COc1ccc(C2=NN(C(C)=O)[C@H](c3cc4cc(C)ccc4nc3Cl)C2)cc1OC ZINC000001303229 568913383 /nfs/dbraw/zinc/91/33/83/568913383.db2.gz KOCXKEPFXWGFPN-FQEVSTJZSA-N 0 0 423.900 4.911 50 0 HJAARN Cc1c2ccccc2[nH]c(=O)c1Sc1nnc(-c2ccccc2Br)o1 ZINC000012690416 568914055 /nfs/dbraw/zinc/91/40/55/568914055.db2.gz AUZFEWLPEBJKKJ-UHFFFAOYSA-N 0 0 414.284 4.800 50 0 HJAARN COc1ccc(C(=O)Oc2ccc3c(c2)occ(-c2ccccc2OC)c3=O)cc1 ZINC000001322106 568914503 /nfs/dbraw/zinc/91/45/03/568914503.db2.gz BTUKOJMZDMMGJL-UHFFFAOYSA-N 0 0 402.402 4.696 50 0 biogenic HJAARN Cc1cc(C)cc(NC(=O)COC(=O)c2cccc(OCc3ccc(F)cc3)c2)c1 ZINC000012690972 568915112 /nfs/dbraw/zinc/91/51/12/568915112.db2.gz LZMAVFXKZLUBHF-UHFFFAOYSA-N 0 0 407.441 4.817 50 0 HJAARN Cc1ccc(Cl)cc1-n1c(SCC(=O)OC(C)(C)C)nnc1-c1ccco1 ZINC000004144743 568916317 /nfs/dbraw/zinc/91/63/17/568916317.db2.gz AUHNBKLSKISAGY-UHFFFAOYSA-N 0 0 405.907 4.923 50 0 HJAARN CCCCOc1ccc(S(=O)(=O)NCCc2csc(-c3ccccc3)n2)cc1 ZINC000004166871 568919380 /nfs/dbraw/zinc/91/93/80/568919380.db2.gz FCEJUNZFGASDGR-UHFFFAOYSA-N 0 0 416.568 4.510 50 0 HJAARN C[C@H](CCc1ccccc1)NC(=O)CSc1nn(-c2ccccc2)c(=S)s1 ZINC000003605419 568919458 /nfs/dbraw/zinc/91/94/58/568919458.db2.gz NYPJNSDGYYVXNI-OAHLLOKOSA-N 0 0 415.609 4.893 50 0 HJAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCS[C@@H]1c1ccc(Cl)cc1 ZINC000002501379 568920929 /nfs/dbraw/zinc/92/09/29/568920929.db2.gz CCZONCWRBCMRRT-OAHLLOKOSA-N 0 0 407.866 4.795 50 0 HJAARN COc1ccc([C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)c3ccccc3C(=O)N2C)cc1 ZINC000003657647 568923042 /nfs/dbraw/zinc/92/30/42/568923042.db2.gz PDZXRMVDGRIYDI-YADHBBJMSA-N 0 0 420.896 4.898 50 0 HJAARN Cc1cc(C)c(S(=O)(=O)c2ccccc2)c(OC(=O)c2c(F)cccc2Cl)n1 ZINC000001391663 568924511 /nfs/dbraw/zinc/92/45/11/568924511.db2.gz SUEWOMDHUSXHMK-UHFFFAOYSA-N 0 0 419.861 4.543 50 0 HJAARN Cc1ccc(NC(=O)c2sccc2S(=O)(=O)Cc2ccc(Cl)cc2)cc1 ZINC000001393185 568925041 /nfs/dbraw/zinc/92/50/41/568925041.db2.gz LLXZAZZDVKEISL-UHFFFAOYSA-N 0 0 405.928 4.936 50 0 HJAARN COc1ccc(C(=O)CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1OC ZINC000031388890 568925187 /nfs/dbraw/zinc/92/51/87/568925187.db2.gz GIUCGQUZCJTRJE-KRWDZBQOSA-N 0 0 424.522 4.640 50 0 HJAARN Cc1ccc(OCC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c2c1[C@H](C)CC2=O ZINC000012736720 568925568 /nfs/dbraw/zinc/92/55/68/568925568.db2.gz ZXTZLVCXGVJQEP-KGLIPLIRSA-N 0 0 405.416 4.960 50 0 HJAARN O=S(=O)(NCc1cc(-c2ccccc2)no1)c1cc(Cl)c(Cl)cc1Cl ZINC000001398141 568925886 /nfs/dbraw/zinc/92/58/86/568925886.db2.gz FMVMAMLPNTVVGL-UHFFFAOYSA-N 0 0 417.701 4.780 50 0 HJAARN CCOc1ccccc1-c1noc(CSCC(=O)NC2CCCCCCC2)n1 ZINC000031419404 568925950 /nfs/dbraw/zinc/92/59/50/568925950.db2.gz AOWSUGUVTJXGOU-UHFFFAOYSA-N 0 0 403.548 4.598 50 0 HJAARN O=C(Nc1ccc(F)cc1F)c1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1 ZINC000001396419 568926361 /nfs/dbraw/zinc/92/63/61/568926361.db2.gz CVYBEGOWIRNBEY-UHFFFAOYSA-N 0 0 409.219 4.734 50 0 HJAARN C[C@@]1(c2ccc3noc(-c4ccc(F)cc4)c3c2)NC(=O)N(c2cccc(F)c2)N1 ZINC000001401680 568927396 /nfs/dbraw/zinc/92/73/96/568927396.db2.gz UARXESVDUXJQAY-JOCHJYFZSA-N 0 0 406.392 4.680 50 0 HJAARN O=S(=O)(c1ccc(Cl)cc1)c1cnc(-c2cccnc2)nc1-c1ccccc1 ZINC000001402975 568927463 /nfs/dbraw/zinc/92/74/63/568927463.db2.gz VBJKNLBTWVPDMS-UHFFFAOYSA-N 0 0 407.882 4.692 50 0 HJAARN COc1cccc(-c2c[nH]c([C@@H]3CCCN3C(=O)C[C@@H]3CCOc4ccccc43)n2)c1 ZINC000083973754 568929182 /nfs/dbraw/zinc/92/91/82/568929182.db2.gz BAQPDALSLIAGOY-JTSKRJEESA-N 0 0 417.509 4.705 50 0 HJAARN O=c1c(Cl)c(Cl)cnn1Cc1nc2cc(Cl)ccc2n1Cc1ccccc1 ZINC000031682861 568929199 /nfs/dbraw/zinc/92/91/99/568929199.db2.gz FNTIOIVLPRAOSR-UHFFFAOYSA-N 0 0 419.699 4.650 50 0 HJAARN CC(C)c1ccc(-c2csc(NC(=O)Cn3cccc(C(F)(F)F)c3=O)n2)cc1 ZINC000012741560 568929649 /nfs/dbraw/zinc/92/96/49/568929649.db2.gz XTYLALFKVKFAEY-UHFFFAOYSA-N 0 0 421.444 4.753 50 0 HJAARN Cc1ccc(-c2csc3ncn(Cc4noc(-c5cccs5)n4)c(=O)c23)cc1C ZINC000031748058 568930134 /nfs/dbraw/zinc/93/01/34/568930134.db2.gz QZKUGVHMHKOBHV-UHFFFAOYSA-N 0 0 420.519 4.902 50 0 HJAARN O=C1CSC2=NC3=C(CCc4ccccc43)[C@@H](c3ccc(Br)cc3)N12 ZINC000001411890 568931607 /nfs/dbraw/zinc/93/16/07/568931607.db2.gz HDAFPNSPZGSCSS-LJQANCHMSA-N 0 0 411.324 4.793 50 0 HJAARN Cc1sc(NC(=O)c2nc(C)ncc2Cl)nc1-c1ccc(OC(F)F)cc1 ZINC000084057026 568933638 /nfs/dbraw/zinc/93/36/38/568933638.db2.gz RDYRYLLDWVZPFK-UHFFFAOYSA-N 0 0 410.833 4.724 50 0 HJAARN COc1ccc(-c2csc(-n3nc(-c4ccc(OC)cc4)cc3NC(C)=O)n2)cc1 ZINC000001415852 568933739 /nfs/dbraw/zinc/93/37/39/568933739.db2.gz QBMNPGJNSHLVTL-UHFFFAOYSA-N 0 0 420.494 4.638 50 0 HJAARN COc1ccc(-c2csc(-n3nc(-c4ccc(C)cc4)cc3NC(C)=O)n2)cc1 ZINC000001415856 568933803 /nfs/dbraw/zinc/93/38/03/568933803.db2.gz UJFZBZHWDSWXCT-UHFFFAOYSA-N 0 0 404.495 4.938 50 0 HJAARN C[C@H](Nc1ncnc2scc(-c3ccccc3)c21)c1ccc(S(C)(=O)=O)cc1 ZINC000012748174 568934305 /nfs/dbraw/zinc/93/43/05/568934305.db2.gz HBLZAKRRDVBQMW-AWEZNQCLSA-N 0 0 409.536 4.935 50 0 HJAARN Fc1ccc(C2=Nn3c(COc4ccc(Cl)cc4Cl)nnc3SC2)cc1 ZINC000001417177 568934856 /nfs/dbraw/zinc/93/48/56/568934856.db2.gz BXCMKRHAAZTEPK-UHFFFAOYSA-N 0 0 409.273 4.661 50 0 HJAARN Cc1c(Cl)cccc1NC(=S)N1CCc2[nH]cnc2[C@@H]1c1ccc(F)cc1 ZINC000004033738 568935151 /nfs/dbraw/zinc/93/51/51/568935151.db2.gz URAJUWYRMVQNON-IBGZPJMESA-N 0 0 400.910 4.855 50 0 HJAARN COc1ccc(Oc2coc3cc(OC(=O)c4ccccc4F)ccc3c2=O)cc1 ZINC000004043299 568936037 /nfs/dbraw/zinc/93/60/37/568936037.db2.gz VEHPPAFHRFMBHN-UHFFFAOYSA-N 0 0 406.365 4.952 50 0 HJAARN Cc1cc(-c2csc(Cc3csc(C)n3)n2)c(C)n1NC(=O)c1ccccc1 ZINC000084080246 568936274 /nfs/dbraw/zinc/93/62/74/568936274.db2.gz RCDSXQSNXCHCGA-UHFFFAOYSA-N 0 0 408.552 4.968 50 0 HJAARN CC[C@@](C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)Cc1cccs1 ZINC000004076718 568938262 /nfs/dbraw/zinc/93/82/62/568938262.db2.gz PCMWZQUVHYXVHK-NRFANRHFSA-N 0 0 404.601 4.608 50 0 HJAARN COc1ccc(C(=O)Oc2ccc(N(C)C(=O)c3ccc(C)cc3)cc2)cc1OC ZINC000025919802 568938816 /nfs/dbraw/zinc/93/88/16/568938816.db2.gz KJIATWPYQUMLRL-UHFFFAOYSA-N 0 0 405.450 4.508 50 0 HJAARN COc1ccc2c(c1OC)C(=O)N1C[C@@H](c3ccccc3)c3c4ccccc4[nH]c3[C@H]21 ZINC000004084444 568939652 /nfs/dbraw/zinc/93/96/52/568939652.db2.gz QJGVFTGFUHOFRH-UUOWRZLLSA-N 0 0 410.473 4.876 50 0 biogenic HJAARN COc1ccc2c(c1OC)C(=O)N1C[C@H](c3cccs3)c3c4ccccc4[nH]c3[C@H]21 ZINC000004086681 568940444 /nfs/dbraw/zinc/94/04/44/568940444.db2.gz MBTYOUHHAPXLTE-QRQCRPRQSA-N 0 0 416.502 4.937 50 0 biogenic HJAARN Cc1csc(N(C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c2ccccc2)n1 ZINC000012752978 568941761 /nfs/dbraw/zinc/94/17/61/568941761.db2.gz KWIKFJDHHZBLRE-HNNXBMFYSA-N 0 0 411.914 4.823 50 0 HJAARN COc1cccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4C)c3C)no2)c1 ZINC000004100358 568942614 /nfs/dbraw/zinc/94/26/14/568942614.db2.gz GYHIIJSVJMUGJD-UHFFFAOYSA-N 0 0 416.481 4.773 50 0 HJAARN Cc1cc(I)ccc1NC(=O)c1cccc(Br)c1 ZINC000001434864 568942678 /nfs/dbraw/zinc/94/26/78/568942678.db2.gz NWFLZWKEUFKGAP-UHFFFAOYSA-N 0 0 416.056 4.614 50 0 HJAARN COCCCOc1cccc(NC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)c1 ZINC000084240809 568944828 /nfs/dbraw/zinc/94/48/28/568944828.db2.gz GRVJHFXSRZDCBH-UHFFFAOYSA-N 0 0 414.502 4.630 50 0 HJAARN C[C@H](Oc1ccccc1)C(=O)N1CCN=C1SCc1ccc(C(F)(F)F)cc1 ZINC000004120477 568944875 /nfs/dbraw/zinc/94/48/75/568944875.db2.gz GBBRAIKXMMJSOE-AWEZNQCLSA-N 0 0 408.445 4.604 50 0 HJAARN Cc1nc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)ccc1Br ZINC000004122586 568945046 /nfs/dbraw/zinc/94/50/46/568945046.db2.gz ZQPFMAWHCJTWJP-UHFFFAOYSA-N 0 0 419.131 4.586 50 0 HJAARN CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1c[nH]c2ccccc21 ZINC000004138531 568945668 /nfs/dbraw/zinc/94/56/68/568945668.db2.gz YPDFNVTUNOPLIA-UHFFFAOYSA-N 0 0 405.527 4.794 50 0 HJAARN CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1c[nH]c2ccccc21 ZINC000004138525 568945683 /nfs/dbraw/zinc/94/56/83/568945683.db2.gz BQJKSAVCPUUGNG-UHFFFAOYSA-N 0 0 405.527 4.794 50 0 HJAARN Cn1c2ccc(Cl)cc2[nH]c1=NC(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000084311143 568946040 /nfs/dbraw/zinc/94/60/40/568946040.db2.gz GYFCFYCVUWQOEN-UHFFFAOYSA-N 0 0 415.280 4.528 50 0 HJAARN CCOC(=O)[C@@H](C)Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1C ZINC000004145662 568946455 /nfs/dbraw/zinc/94/64/55/568946455.db2.gz 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ZINC000004193330 568950561 /nfs/dbraw/zinc/95/05/61/568950561.db2.gz DQAGSXUHFQMXTH-UHFFFAOYSA-N 0 0 419.930 4.687 50 0 HJAARN O=C(COc1nnc(-c2ccccc2)o1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000084569205 568951091 /nfs/dbraw/zinc/95/10/91/568951091.db2.gz AEWOFHFSDOZBRP-QGZVFWFLSA-N 0 0 418.280 4.786 50 0 HJAARN CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(OC)cc1OC ZINC000004194586 568951152 /nfs/dbraw/zinc/95/11/52/568951152.db2.gz WPMGTFQLGKPGSJ-SFHVURJKSA-N 0 0 417.303 4.554 50 0 HJAARN COc1ccc(CN(Cc2ccc(C(=O)NC(C)C)o2)Cc2cccc(F)c2)cc1 ZINC000004198213 568951284 /nfs/dbraw/zinc/95/12/84/568951284.db2.gz LVVVLDTZIKRYIR-UHFFFAOYSA-N 0 0 410.489 4.768 50 0 HJAARN O=C(CNc1cccc(Cl)c1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000012771315 568951860 /nfs/dbraw/zinc/95/18/60/568951860.db2.gz HDWQJKSFCQFFSL-UHFFFAOYSA-N 0 0 414.914 4.818 50 0 HJAARN Nc1c2cc3c(nc2sc1C(=O)Nc1ccccc1Br)CCCC3 ZINC000004211003 568951957 /nfs/dbraw/zinc/95/19/57/568951957.db2.gz GFJFCQOHYDEXFZ-UHFFFAOYSA-N 0 0 402.317 4.772 50 0 HJAARN 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CCOC(=O)c1sc(N2N=C(c3ccc(OC)cc3)C[C@H]2c2ccco2)nc1C ZINC000006078855 568993657 /nfs/dbraw/zinc/99/36/57/568993657.db2.gz MRUUMFOBEJYSLT-KRWDZBQOSA-N 0 0 411.483 4.586 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc(C(=O)c2ccccc2)cc1 ZINC000008346245 568994826 /nfs/dbraw/zinc/99/48/26/568994826.db2.gz GFMSXHRCWASZKS-UHFFFAOYSA-N 0 0 423.516 4.992 50 0 HJAARN O=C(CCN1CCSC1=O)Oc1ccc(-c2ccc(Br)cc2)cc1 ZINC000008367246 568995507 /nfs/dbraw/zinc/99/55/07/568995507.db2.gz XVHPESDSSTVGLG-UHFFFAOYSA-N 0 0 406.301 4.580 50 0 HJAARN Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4ccc(F)cc4)cc3)nn2)c(C)c1C ZINC000013009761 568995533 /nfs/dbraw/zinc/99/55/33/568995533.db2.gz WCNLZEKNLGOPEJ-UHFFFAOYSA-N 0 0 416.460 4.723 50 0 HJAARN Cc1noc(C)c1CSc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1 ZINC000006083058 568996747 /nfs/dbraw/zinc/99/67/47/568996747.db2.gz VHWONPBNVLRIFN-MRXNPFEDSA-N 0 0 404.923 4.675 50 0 HJAARN Cc1nc(-c2cccc(NC(=O)CNC(=O)Cc3cccc4ccccc43)c2)cs1 ZINC000008390159 568996868 /nfs/dbraw/zinc/99/68/68/568996868.db2.gz OTGGDYOZYUDRMT-UHFFFAOYSA-N 0 0 415.518 4.569 50 0 HJAARN CCCN(CC(=O)Nc1cccc(Cl)c1C)[C@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000006085379 568997523 /nfs/dbraw/zinc/99/75/23/568997523.db2.gz GKMOZZIGDGBVRJ-OAHLLOKOSA-N 0 0 422.356 4.980 50 0 HJAARN COc1ccc(C(C)=O)cc1Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O ZINC000006087557 568998334 /nfs/dbraw/zinc/99/83/34/568998334.db2.gz JREBTMMQWVRWHQ-UHFFFAOYSA-N 0 0 408.454 4.524 50 0 HJAARN O=C(CN1CCN(c2ccccc2)CC1)Nc1ccccc1Sc1ccccc1 ZINC000053224399 568998455 /nfs/dbraw/zinc/99/84/55/568998455.db2.gz LWLWWFQDABJJFE-UHFFFAOYSA-N 0 0 403.551 4.599 50 0 HJAARN Cc1oc(-c2ccccc2)nc1CN1CCN(C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000015774874 568999222 /nfs/dbraw/zinc/99/92/22/568999222.db2.gz HBKQYIFSRIFZBA-UHFFFAOYSA-N 0 0 424.932 4.962 50 0 HJAARN CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CN1CCC(C)CC1 ZINC000008395225 568999214 /nfs/dbraw/zinc/99/92/14/568999214.db2.gz UJSGWLGJKCOENT-UHFFFAOYSA-N 0 0 414.571 4.879 50 0 HJAARN COc1ccc(Cn2c(C)c(C[NH2+]Cc3ccc(Cl)cc3)c(C(=O)[O-])c2C)cc1 ZINC000015777117 568999544 /nfs/dbraw/zinc/99/95/44/568999544.db2.gz NCMVTWYHRKOUCH-UHFFFAOYSA-N 0 0 412.917 4.803 50 0 HJAARN CCc1ccc(N2C3=C(C(=O)OC3)[C@H](c3ccc(Cl)cc3Cl)CC2=O)cc1 ZINC000035142570 568999934 /nfs/dbraw/zinc/99/99/34/568999934.db2.gz OUKKERRZKUQOEL-INIZCTEOSA-N 0 0 402.277 4.887 50 0 HJAARN CC(=O)N(c1nc(CSc2nnc3n2CCCCC3)cs1)c1cccc(C)c1 ZINC000006096938 569001124 /nfs/dbraw/zinc/00/11/24/569001124.db2.gz LUOZULAUPMJODF-UHFFFAOYSA-N 0 0 413.572 4.746 50 0 HJAARN Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1CCc1ccccc1 ZINC000006097478 569001454 /nfs/dbraw/zinc/00/14/54/569001454.db2.gz AWPDBBOVHLWEAD-UHFFFAOYSA-N 0 0 408.571 4.641 50 0 HJAARN CCc1cc([C@@H](c2cccs2)N2CCOCC2)c(NC(=O)c2ccco2)s1 ZINC000038551791 569001441 /nfs/dbraw/zinc/00/14/41/569001441.db2.gz WWPLLUPLWDXUDS-SFHVURJKSA-N 0 0 402.541 4.639 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc(C)cc1Br ZINC000008428067 569002329 /nfs/dbraw/zinc/00/23/29/569002329.db2.gz DRNWHQCQUBGOCN-UHFFFAOYSA-N 0 0 414.303 4.578 50 0 HJAARN CCOc1ccc(CNC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)cc1OC ZINC000015785097 569005382 /nfs/dbraw/zinc/00/53/82/569005382.db2.gz IZOLSWICJXKURY-UHFFFAOYSA-N 0 0 420.440 4.971 50 0 HJAARN Cc1cccc(-c2nccc(N3CCC(C(=O)Nc4ccc(Cl)cc4)CC3)n2)c1 ZINC000085649110 569005526 /nfs/dbraw/zinc/00/55/26/569005526.db2.gz XFERWZMFKRABHV-UHFFFAOYSA-N 0 0 406.917 4.961 50 0 HJAARN CCC(=O)Nc1ccc(CCc2nc3cc(C(=O)NC4CCCCC4)ccc3[nH]2)cc1 ZINC000085653727 569005994 /nfs/dbraw/zinc/00/59/94/569005994.db2.gz IPEVYLVUJCSDRX-UHFFFAOYSA-N 0 0 418.541 4.759 50 0 HJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)C(=O)Nc2cccc(F)c2)c1C ZINC000085712248 569007307 /nfs/dbraw/zinc/00/73/07/569007307.db2.gz AAGYOPJYTOEMMV-UHFFFAOYSA-N 0 0 413.449 4.775 50 0 HJAARN COc1ccc(-c2coc3c(c(OC)cc4c3[C@H](CC(C)C)CC(=O)O4)c2=O)cc1 ZINC000085878105 569009657 /nfs/dbraw/zinc/00/96/57/569009657.db2.gz NWVAKDLHHSYVNU-OAHLLOKOSA-N 0 0 408.450 4.916 50 0 biogenic HJAARN CCCCn1c2ccccc2nc1N1CCC[C@H](C(=O)N[C@H](C)c2ccccc2)C1 ZINC000105091398 569009836 /nfs/dbraw/zinc/00/98/36/569009836.db2.gz KUQGWQNCPOLKOB-CTNGQTDRSA-N 0 0 404.558 4.930 50 0 HJAARN COc1ccc(Br)cc1[C@@H]1N2CCC[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000085988237 569010027 /nfs/dbraw/zinc/01/00/27/569010027.db2.gz UDSSQAJDIIEPRA-FUHWJXTLSA-N 0 0 421.722 4.621 50 0 HJAARN Cc1oc(-c2ccccc2C)nc1CN1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000015825942 569011417 /nfs/dbraw/zinc/01/14/17/569011417.db2.gz RQWXSHUPRMIIAS-UHFFFAOYSA-N 0 0 404.514 4.617 50 0 HJAARN Cc1oc(-c2ccccc2C)nc1CN1CCN(C(=O)Nc2cccc(C)c2)CC1 ZINC000015825951 569011418 /nfs/dbraw/zinc/01/14/18/569011418.db2.gz MPSGUDYYYWZYDT-UHFFFAOYSA-N 0 0 404.514 4.617 50 0 HJAARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1cccc(NC(=O)C2CC2)c1 ZINC000012858782 569011460 /nfs/dbraw/zinc/01/14/60/569011460.db2.gz MKMQCWQRGVXLOT-UHFFFAOYSA-N 0 0 406.313 4.684 50 0 HJAARN COC(=O)C[C@@H](NC(=O)c1sc(-c2ccsc2)nc1C)c1ccccc1Cl ZINC000012859664 569011515 /nfs/dbraw/zinc/01/15/15/569011515.db2.gz SMVUBLBVHIWARB-OAHLLOKOSA-N 0 0 420.943 4.868 50 0 HJAARN Cc1ccc(OCCCn2c3ccccc3nc2[C@H](C)NC(=O)c2ccco2)cc1 ZINC000015833669 569012694 /nfs/dbraw/zinc/01/26/94/569012694.db2.gz AGJUYLWHELYUIT-SFHVURJKSA-N 0 0 403.482 4.898 50 0 HJAARN CN=[S@](=O)(C[C@@]1(O)CCC[C@]2(CCCS2)[C@@]12CCCS2)c1ccccc1 ZINC000043762988 569012952 /nfs/dbraw/zinc/01/29/52/569012952.db2.gz MQDKVINODNIUNZ-FDTRYVBHSA-N 0 0 411.658 4.590 50 0 HJAARN C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000006128748 569013082 /nfs/dbraw/zinc/01/30/82/569013082.db2.gz OLKBAHMKWDMYFQ-IERDGZPVSA-N 0 0 418.566 4.819 50 0 HJAARN c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1 ZINC000169817480 569013290 /nfs/dbraw/zinc/01/32/90/569013290.db2.gz PCKMRVUHQVTZLV-UHFFFAOYSA-N 0 0 412.608 4.731 50 0 HJAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@]21C ZINC000253609836 569013414 /nfs/dbraw/zinc/01/34/14/569013414.db2.gz VCWDOHJFKGOMRJ-IXFJGTTASA-N 0 0 402.575 4.983 50 0 HJAARN CCOc1ccc(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1OCC ZINC000012876837 569013738 /nfs/dbraw/zinc/01/37/38/569013738.db2.gz AVYBPRFEBBWTBX-UHFFFAOYSA-N 0 0 405.922 4.654 50 0 HJAARN CCOC(=O)c1ccc(N[C@@H]2SC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000006148159 569014804 /nfs/dbraw/zinc/01/48/04/569014804.db2.gz BTDZOUGNLCAOSM-OAHLLOKOSA-N 0 0 424.400 4.520 50 0 HJAARN Cc1ccc(C(=O)Nc2cccc(-c3nccn3C)c2)cc1NC(=O)c1ccccc1 ZINC000117347815 569015015 /nfs/dbraw/zinc/01/50/15/569015015.db2.gz OIIYBZHRYXJCHR-UHFFFAOYSA-N 0 0 410.477 4.900 50 0 HJAARN CC(=O)Nc1ccc(C(=O)Nc2cccc(CCc3nc4cc(C)ccc4[nH]3)c2)cc1 ZINC000015863610 569016184 /nfs/dbraw/zinc/01/61/84/569016184.db2.gz MKKPYAVVMZDZQQ-UHFFFAOYSA-N 0 0 412.493 4.867 50 0 HJAARN CCC(=O)Nc1ccc(Cc2nc3cc(C(=O)NC4CCCCCC4)ccc3[nH]2)cc1 ZINC000015863783 569016230 /nfs/dbraw/zinc/01/62/30/569016230.db2.gz NLJWULQLADJJCE-UHFFFAOYSA-N 0 0 418.541 4.955 50 0 HJAARN CC(=O)Nc1ccc(Cc2nc3cc(C(=O)NCCC4=CCCCC4)ccc3[nH]2)cc1 ZINC000015863819 569016243 /nfs/dbraw/zinc/01/62/43/569016243.db2.gz SGBMPIMXTKFTJY-UHFFFAOYSA-N 0 0 416.525 4.732 50 0 HJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)C(=O)c2ccc(Cl)cc2)c1C ZINC000015865598 569016679 /nfs/dbraw/zinc/01/66/79/569016679.db2.gz NCKWWLATKBFCGX-UHFFFAOYSA-N 0 0 414.889 4.897 50 0 HJAARN Cc1ccn2c(=O)cc(COc3ccccc3NC(=O)Nc3ccccc3C)nc2c1 ZINC000015865443 569016731 /nfs/dbraw/zinc/01/67/31/569016731.db2.gz CODDAEKJQFKIPC-UHFFFAOYSA-N 0 0 414.465 4.534 50 0 HJAARN CCCC(=O)Nc1nc2cc(NS(=O)(=O)c3ccc(C(C)C)cc3)ccc2s1 ZINC000015870402 569017207 /nfs/dbraw/zinc/01/72/07/569017207.db2.gz YLPVGDWORRCCGD-UHFFFAOYSA-N 0 0 417.556 4.959 50 0 HJAARN COc1cccc(C(=O)N(Cc2cccnc2)c2nc3c(cccc3F)s2)c1OC ZINC000015881819 569018905 /nfs/dbraw/zinc/01/89/05/569018905.db2.gz XQDYGFGWABKIIZ-UHFFFAOYSA-N 0 0 423.469 4.695 50 0 HJAARN O=C(Nc1cccc(Cl)c1)c1ccc(=O)n(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000015883264 569019292 /nfs/dbraw/zinc/01/92/92/569019292.db2.gz GVAQUNATZUOWME-UHFFFAOYSA-N 0 0 406.791 4.821 50 0 HJAARN O=C(Nc1ccnn1Cc1ccc(Br)cc1)c1ccc(Cl)cc1F ZINC000012891646 569020043 /nfs/dbraw/zinc/02/00/43/569020043.db2.gz QTAUGQJRESHDDZ-UHFFFAOYSA-N 0 0 408.658 4.739 50 0 HJAARN CNC(=O)[C@@H](C)Sc1nnc(COc2ccc(Cl)cc2C)n1C1CCCCC1 ZINC000012900358 569020656 /nfs/dbraw/zinc/02/06/56/569020656.db2.gz NTGLBRIUDOJBHF-CQSZACIVSA-N 0 0 422.982 4.551 50 0 HJAARN O=c1c2sccc2nc(SCc2noc(-c3ccsc3)n2)n1-c1ccccc1 ZINC000012907970 569021244 /nfs/dbraw/zinc/02/12/44/569021244.db2.gz NAYFPAGLJDSPQL-UHFFFAOYSA-N 0 0 424.532 4.851 50 0 HJAARN COc1cccc(NC(=O)CN(C)C(=O)c2sc3cc(Cl)ccc3c2Cl)c1 ZINC000012917229 569022447 /nfs/dbraw/zinc/02/24/47/569022447.db2.gz YZHCZHXQIFLQPY-UHFFFAOYSA-N 0 0 423.321 4.927 50 0 HJAARN CCc1ccc(-c2noc(C[C@@](O)(c3nc4ccccc4s3)C(F)(F)F)n2)cc1 ZINC000012915441 569022491 /nfs/dbraw/zinc/02/24/91/569022491.db2.gz XFCOPDNHKUPEMS-LJQANCHMSA-N 0 0 419.428 4.901 50 0 HJAARN CC(=O)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000016124918 569029131 /nfs/dbraw/zinc/02/91/31/569029131.db2.gz UMDVKMLZXBVSAF-UHFFFAOYSA-N 0 0 411.323 4.728 50 0 HJAARN O=C(COC(=O)c1cc(-c2ccccn2)nc2ccccc21)Nc1ccccc1Cl ZINC000006191264 569031148 /nfs/dbraw/zinc/03/11/48/569031148.db2.gz GQHWOUNKXTVPNZ-UHFFFAOYSA-N 0 0 417.852 4.746 50 0 HJAARN CCOc1cccc2sc(N(CCCn3ccnc3)C(=O)c3cccs3)nc21 ZINC000007424611 569031728 /nfs/dbraw/zinc/03/17/28/569031728.db2.gz BBRMSGRVOVLVPZ-UHFFFAOYSA-N 0 0 412.540 4.690 50 0 HJAARN COc1ccc(C(=O)c2sc3nc(-c4ccccc4OC)ccc3c2N)cc1OC ZINC000035323994 569032023 /nfs/dbraw/zinc/03/20/23/569032023.db2.gz HAMSRRJHMKWRPI-UHFFFAOYSA-N 0 0 420.490 4.802 50 0 HJAARN CCc1ccc(-c2nc(S[C@@H](C)C(=O)N[C@@H](C)CCc3ccccc3)n[nH]2)cc1 ZINC000006214799 569033282 /nfs/dbraw/zinc/03/32/82/569033282.db2.gz YMSQJZPUWYNOPB-IRXDYDNUSA-N 0 0 408.571 4.652 50 0 HJAARN O=c1c2c(ncn1Cc1ccc(F)cc1)c1cc(F)ccc1n2Cc1ccccc1 ZINC000035400332 569035408 /nfs/dbraw/zinc/03/54/08/569035408.db2.gz ZQDMNSKQQXTIKQ-UHFFFAOYSA-N 0 0 401.416 4.726 50 0 HJAARN Cc1ccc(-n2cc(C3=CCN(CC(=O)Nc4ccc(Cl)cc4)CC3)cn2)cc1 ZINC000035403886 569035569 /nfs/dbraw/zinc/03/55/69/569035569.db2.gz CMJPBNKIARRROC-UHFFFAOYSA-N 0 0 406.917 4.562 50 0 HJAARN COc1ccc(OC)c(-c2csc(NC(=O)c3cccc(OC(F)F)c3)n2)c1 ZINC000006261058 569036058 /nfs/dbraw/zinc/03/60/58/569036058.db2.gz MGDYXJOTPALEAI-UHFFFAOYSA-N 0 0 406.410 4.681 50 0 HJAARN CCCCN(Cc1cccn1C)C(=O)CN(C(=O)C[C@H](C)CC(C)(C)C)C1CC1 ZINC000035433827 569037020 /nfs/dbraw/zinc/03/70/20/569037020.db2.gz IQLFIOMCMBFJHK-IBGZPJMESA-N 0 0 403.611 4.607 50 0 HJAARN COc1ccccc1NC(=O)N1CCC2(CC1)Nc1cc(C)ccc1-n1cccc12 ZINC000035446744 569037251 /nfs/dbraw/zinc/03/72/51/569037251.db2.gz NHPBAYHZRAAFFP-UHFFFAOYSA-N 0 0 402.498 4.743 50 0 biogenic HJAARN O=C(Nc1cccc(F)c1)[C@H]1CCCN(c2nc3ccccc3nc2C(F)(F)F)C1 ZINC000035478452 569038540 /nfs/dbraw/zinc/03/85/40/569038540.db2.gz ANQVGCYYWQNVRP-ZDUSSCGKSA-N 0 0 418.394 4.643 50 0 HJAARN O=C(c1ccc(F)cc1)N1CCC[C@H](C(=O)N2C[C@H]3CCCC[C@@]32c2ccccc2)C1 ZINC000229879581 569040672 /nfs/dbraw/zinc/04/06/72/569040672.db2.gz SKBVCKTXIHKMKH-UNIVCBNLSA-N 0 0 420.528 4.606 50 0 HJAARN Cc1c(CNC(=O)c2c(F)cccc2F)sc2nc(-c3ccc(F)cc3)cn12 ZINC000090593772 569041612 /nfs/dbraw/zinc/04/16/12/569041612.db2.gz NTQLCZVKPRZMBB-UHFFFAOYSA-N 0 0 401.413 4.719 50 0 HJAARN Cc1cccc2sc(OC3CN(C(=O)Nc4ccccc4C(F)(F)F)C3)nc21 ZINC000090594330 569041648 /nfs/dbraw/zinc/04/16/48/569041648.db2.gz XQVYBMPLWIOEIU-UHFFFAOYSA-N 0 0 407.417 4.919 50 0 HJAARN COc1cccc(-c2nn(C)c3sc(C(=O)OCCOc4ccccc4)cc23)c1 ZINC000035509912 569041785 /nfs/dbraw/zinc/04/17/85/569041785.db2.gz PXFDJXSAYDKWAM-UHFFFAOYSA-N 0 0 408.479 4.546 50 0 HJAARN Cc1ccc(-c2cc3c(SCC(=O)NCCc4cccs4)nccn3n2)cc1C ZINC000090610089 569042562 /nfs/dbraw/zinc/04/25/62/569042562.db2.gz ZOTVSMLHDHHLJM-UHFFFAOYSA-N 0 0 422.579 4.526 50 0 HJAARN CCCC(=O)c1cn(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCCO3)c2ccccc12 ZINC000035511659 569043096 /nfs/dbraw/zinc/04/30/96/569043096.db2.gz DXHXQSPQAOYSRX-KRWDZBQOSA-N 0 0 420.509 4.663 50 0 HJAARN O=C(NCc1ccccc1Cl)c1nc2c3ccccc3oc2c(N2CCCC2)n1 ZINC000035513792 569043286 /nfs/dbraw/zinc/04/32/86/569043286.db2.gz XSNRBEXERLVZSO-UHFFFAOYSA-N 0 0 406.873 4.560 50 0 HJAARN COc1ccc(NC(=O)c2c(C)onc2-c2ccc(Br)cc2)cc1OC ZINC000035536620 569043608 /nfs/dbraw/zinc/04/36/08/569043608.db2.gz PTHKUBBXZGEQSF-UHFFFAOYSA-N 0 0 417.259 4.682 50 0 HJAARN COc1ccccc1C=CC(=O)OCC(=O)c1cc(C)n(CCc2ccccc2)c1C ZINC000014129623 569044007 /nfs/dbraw/zinc/04/40/07/569044007.db2.gz HOZYIDGXACUKHX-BUHFOSPRSA-N 0 0 417.505 4.796 50 0 HJAARN COc1ccc(-c2csc(NC(=O)CCOc3cc(C)ccc3C)n2)cc1OC ZINC000006334103 569044235 /nfs/dbraw/zinc/04/42/35/569044235.db2.gz ZEJYEJLJJHBNGL-UHFFFAOYSA-N 0 0 412.511 4.852 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)N1CCC(C)(C(=O)NCc2ccc(F)cc2)CC1 ZINC000035530246 569044283 /nfs/dbraw/zinc/04/42/83/569044283.db2.gz DGNODXYOBIUHGY-UHFFFAOYSA-N 0 0 417.912 4.738 50 0 HJAARN O=C(Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1)c1cccc(C(F)(F)F)c1 ZINC000035597369 569045679 /nfs/dbraw/zinc/04/56/79/569045679.db2.gz VUOMBPOOTFHNSV-UHFFFAOYSA-N 0 0 424.386 4.677 50 0 HJAARN O=C(c1ccccc1C(F)(F)F)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 ZINC000035597661 569045755 /nfs/dbraw/zinc/04/57/55/569045755.db2.gz DXCFIXNURITUGU-UHFFFAOYSA-N 0 0 419.378 4.914 50 0 HJAARN C[C@@H](Sc1nccn1C)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000006369947 569046140 /nfs/dbraw/zinc/04/61/40/569046140.db2.gz RHCJUKFGWCRMBQ-DYVFJYSZSA-N 0 0 414.918 4.525 50 0 HJAARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000012980826 569046397 /nfs/dbraw/zinc/04/63/97/569046397.db2.gz ADKMITAGUWYVIL-UHFFFAOYSA-N 0 0 415.877 4.982 50 0 HJAARN CC(C)c1ccc(-n2nnnc2C2(Nc3ccc4c(c3)OCCO4)CCCCC2)cc1 ZINC000035622306 569046548 /nfs/dbraw/zinc/04/65/48/569046548.db2.gz MGNSKGQGLXDCII-UHFFFAOYSA-N 0 0 419.529 4.828 50 0 HJAARN COCCn1c(S[C@H](C)c2nc(C(C)C)no2)nnc1-c1ccc(Cl)cc1 ZINC000012982492 569047302 /nfs/dbraw/zinc/04/73/02/569047302.db2.gz HNIMGIDBQPUHSK-GFCCVEGCSA-N 0 0 407.927 4.605 50 0 HJAARN CCC(CC)N(CCOC)C(=O)/C=C/c1csc(N(C(C)=O)c2ccccc2)n1 ZINC000040139170 569048178 /nfs/dbraw/zinc/04/81/78/569048178.db2.gz YTLLUIKTPNEMNH-OUKQBFOZSA-N 0 0 415.559 4.505 50 0 HJAARN COc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000013003252 569049327 /nfs/dbraw/zinc/04/93/27/569049327.db2.gz QUMWUDAKSYYNPI-HNNXBMFYSA-N 0 0 400.544 4.545 50 0 HJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CC(=O)Nc2c(-c3ccccc3)cnn21 ZINC000035684686 569049590 /nfs/dbraw/zinc/04/95/90/569049590.db2.gz VLZPBGAOBOEHAY-INIZCTEOSA-N 0 0 416.359 4.620 50 0 HJAARN O=C(Nc1cc(F)c(F)c(F)c1)[C@H]1CC(=O)Nc2c(-c3ccc(Cl)cc3)cnn21 ZINC000035684755 569049845 /nfs/dbraw/zinc/04/98/45/569049845.db2.gz QXRQCXMJZSVENR-OAHLLOKOSA-N 0 0 420.778 4.792 50 0 HJAARN COc1ccccc1-c1nnc(S[C@@H](C)C(=O)N2CCCC2)n1C1CCCCC1 ZINC000013010356 569050111 /nfs/dbraw/zinc/05/01/11/569050111.db2.gz BQMVGLSDDMJISO-INIZCTEOSA-N 0 0 414.575 4.562 50 0 HJAARN O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CC(=O)Nc2c(-c3ccc(F)cc3)cnn21 ZINC000035685063 569050210 /nfs/dbraw/zinc/05/02/10/569050210.db2.gz KHSFFPBMBMHTGC-MRXNPFEDSA-N 0 0 402.788 4.653 50 0 HJAARN O=C1c2ccccc2C(=CNc2ccccn2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000100406724 569050217 /nfs/dbraw/zinc/05/02/17/569050217.db2.gz ITDUAANEONMWGJ-QGOAFFKASA-N 0 0 409.367 4.740 50 0 HJAARN COc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F ZINC000013022575 569051251 /nfs/dbraw/zinc/05/12/51/569051251.db2.gz CNCZGYNXXFLKFV-UHFFFAOYSA-N 0 0 404.344 4.812 50 0 HJAARN COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccccc5)coc-4c32)cc1 ZINC000524729520 569051683 /nfs/dbraw/zinc/05/16/83/569051683.db2.gz WRCUZIKPPFLTPP-QGZVFWFLSA-N 0 0 414.413 4.615 50 0 biogenic HJAARN CN(C)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C(=O)N1CCCC1 ZINC000035706175 569052676 /nfs/dbraw/zinc/05/26/76/569052676.db2.gz RKWUUFNDWHDKPC-UHFFFAOYSA-N 0 0 421.328 4.939 50 0 HJAARN Clc1ccc(OCc2ccc(-c3nc4c5cnnc-5ncn4[nH]3)cc2)c(Cl)c1 ZINC000006448212 569052994 /nfs/dbraw/zinc/05/29/94/569052994.db2.gz QFNRGBIPWDVTLC-UHFFFAOYSA-N 0 0 411.252 4.553 50 0 HJAARN Cc1c(SC(F)(F)[C@](F)(Cl)OC(F)(F)F)c(=O)n(-c2ccccc2)n1C ZINC000001807021 569053526 /nfs/dbraw/zinc/05/35/26/569053526.db2.gz VPSMBDFPVVSFJQ-GFCCVEGCSA-N 0 0 420.762 4.568 50 0 HJAARN CCOc1ccc2nc(Cl)c([C@H]3CC(c4ccccc4OC)=NN3C(C)=O)cc2c1 ZINC000089269830 569053839 /nfs/dbraw/zinc/05/38/39/569053839.db2.gz MCDGZZXYBCHDNY-OAQYLSRUSA-N 0 0 423.900 4.993 50 0 HJAARN COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2O[C@H]3c2ccc(Cl)cc2)cc1 ZINC000239306238 569054151 /nfs/dbraw/zinc/05/41/51/569054151.db2.gz GPKWDRMEUXTLNI-VWNXMTODSA-N 0 0 420.896 5.600 50 0 HJAARN C[C@@H]1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccccc2)N3)[C@H](C)C1 ZINC000239402960 569054285 /nfs/dbraw/zinc/05/42/85/569054285.db2.gz RITNIPPOVKZPDM-DEICHXMPSA-N 0 0 406.452 4.804 50 0 HJAARN CCCCSc1nnc2n1c1c(c(=O)n2C)C2(CCCCC2)Cc2ccccc2-1 ZINC000001889303 569057006 /nfs/dbraw/zinc/05/70/06/569057006.db2.gz ZRNUODIQZSFIJP-UHFFFAOYSA-N 0 0 408.571 4.745 50 0 biogenic HJAARN O=C(CN(C(=O)Nc1ccccc1)C1CC1)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000035767795 569058097 /nfs/dbraw/zinc/05/80/97/569058097.db2.gz WPCBNALPJVSVGJ-UHFFFAOYSA-N 0 0 421.472 4.644 50 0 HJAARN C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000016591236 569060171 /nfs/dbraw/zinc/06/01/71/569060171.db2.gz DQZANKNRDMSXIM-VHSXEESVSA-N 0 0 402.766 4.960 50 0 HJAARN COC(=O)Cc1c(C)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2oc1=O ZINC000001111774 569060251 /nfs/dbraw/zinc/06/02/51/569060251.db2.gz KDUGNDDVNPEJFK-UHFFFAOYSA-N 0 0 407.249 4.703 50 0 biogenic HJAARN CCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)C1CCCC1 ZINC000035809316 569060959 /nfs/dbraw/zinc/06/09/59/569060959.db2.gz VLAJNCMPBQJWJG-UHFFFAOYSA-N 0 0 410.558 4.588 50 0 HJAARN CSCC[C@@H](NC(=O)COc1ccc(Cl)c(C)c1)c1nc2ccccc2[nH]1 ZINC000006506533 569061748 /nfs/dbraw/zinc/06/17/48/569061748.db2.gz VQJPLKVGDKVWEW-GOSISDBHSA-N 0 0 403.935 4.514 50 0 HJAARN COc1ccccc1C1=NO[C@@H](CN(Cc2ccccc2F)C(=O)CC(C)(C)C)C1 ZINC000035835461 569061971 /nfs/dbraw/zinc/06/19/71/569061971.db2.gz PILJIXCZPDQSBJ-GOSISDBHSA-N 0 0 412.505 4.792 50 0 HJAARN CCc1ccccc1NC(=O)[C@H]1CCCN(c2nccnc2Oc2ccc(C)cc2)C1 ZINC000064452332 569062854 /nfs/dbraw/zinc/06/28/54/569062854.db2.gz UFVIDEOPNJEFQD-FQEVSTJZSA-N 0 0 416.525 4.995 50 0 HJAARN Cc1ccc(Oc2nccnc2N2CCC[C@@H](C(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000064452345 569062895 /nfs/dbraw/zinc/06/28/95/569062895.db2.gz LVNZNOIOBYPVAP-QGZVFWFLSA-N 0 0 406.461 4.572 50 0 HJAARN CCc1ccc(NC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccccc3)C2)cc1 ZINC000064452417 569062913 /nfs/dbraw/zinc/06/29/13/569062913.db2.gz CQVGNJYWSHLJBC-LJQANCHMSA-N 0 0 402.498 4.686 50 0 HJAARN Cc1sc2ncnc(N3CCC[C@H](C)C3)c2c1C(=O)Nc1ccc(F)cc1F ZINC000064459716 569062952 /nfs/dbraw/zinc/06/29/52/569062952.db2.gz NSXTUOBIAJMCDC-NSHDSACASA-N 0 0 402.470 4.767 50 0 HJAARN C[C@H]1CCc2c(sc3nc(C4CC4)nc(N4CCN(C(=O)C5CCCC5)CC4)c32)C1 ZINC000035865271 569063241 /nfs/dbraw/zinc/06/32/41/569063241.db2.gz FSPTVJGERSMNLR-HNNXBMFYSA-N 0 0 424.614 4.532 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1 ZINC000064472850 569063444 /nfs/dbraw/zinc/06/34/44/569063444.db2.gz RCVWAKUIDZPXCB-UHFFFAOYSA-N 0 0 422.847 4.988 50 0 HJAARN Cc1ccc(C)c(NC(=O)N2CCCN(c3nc4ccccc4n4cccc34)CC2)c1 ZINC000064473190 569063726 /nfs/dbraw/zinc/06/37/26/569063726.db2.gz IUOOWMHZIZFGPY-UHFFFAOYSA-N 0 0 413.525 4.849 50 0 HJAARN COc1ccc(-c2nnc(SCC(=O)c3c[nH]c4ccccc43)n2C(C)C)cc1 ZINC000006541370 569064758 /nfs/dbraw/zinc/06/47/58/569064758.db2.gz KBFVTIRXWXWYIC-UHFFFAOYSA-N 0 0 406.511 4.991 50 0 HJAARN CCOc1ccccc1CCC(=O)OCC(=O)Nc1ccccc1-c1ccccc1 ZINC000006552097 569065257 /nfs/dbraw/zinc/06/52/57/569065257.db2.gz WCBIFGFZMBFLHC-UHFFFAOYSA-N 0 0 403.478 4.867 50 0 HJAARN C[C@H]1Oc2ccc(NC(=O)CC(C)(C)C)cc2CN(CCc2ccc(F)cc2)C1=O ZINC000035909401 569065649 /nfs/dbraw/zinc/06/56/49/569065649.db2.gz RSQBDBRDCKMNAA-MRXNPFEDSA-N 0 0 412.505 4.553 50 0 HJAARN COc1ccc(N2C[C@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)cc1 ZINC000006564961 569066204 /nfs/dbraw/zinc/06/62/04/569066204.db2.gz UQMOAVBQIIIKAX-HXUWFJFHSA-N 0 0 411.505 4.808 50 0 HJAARN Cn1c2ccccc2nc1SCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000006566908 569066272 /nfs/dbraw/zinc/06/62/72/569066272.db2.gz RDDFKPCFEUQGNR-UHFFFAOYSA-N 0 0 419.554 4.787 50 0 HJAARN Cc1cccc(CSc2nc3ccncc3n2CC(=O)N2C[C@H](C)C[C@H](C)C2)c1 ZINC000013106691 569066642 /nfs/dbraw/zinc/06/66/42/569066642.db2.gz MVZGEAKOZMKGTN-HDICACEKSA-N 0 0 408.571 4.537 50 0 HJAARN Cc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000064557751 569066867 /nfs/dbraw/zinc/06/68/67/569066867.db2.gz SLTTXWHSCDVFAD-NRFANRHFSA-N 0 0 419.502 4.635 50 0 HJAARN CCOC(=O)c1cccc(NC(=O)c2cc(N3CCCCC3)c3cc(C)ccc3n2)c1 ZINC000064568337 569067550 /nfs/dbraw/zinc/06/75/50/569067550.db2.gz RIFUGOWXBZYKLF-UHFFFAOYSA-N 0 0 417.509 4.963 50 0 HJAARN O=C(C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccccc1)NC1CCCCCCC1 ZINC000006586287 569067727 /nfs/dbraw/zinc/06/77/27/569067727.db2.gz JTRVOHDTOFLPDF-QFIPXVFZSA-N 0 0 406.526 4.743 50 0 HJAARN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000006582227 569067937 /nfs/dbraw/zinc/06/79/37/569067937.db2.gz BUNOXCJLDPZECO-UHFFFAOYSA-N 0 0 410.395 4.701 50 0 HJAARN Cc1ccc(NC(=O)CN(CC(=O)Nc2ccc(C)cc2)CC2CCCCC2)cc1 ZINC000006584687 569068052 /nfs/dbraw/zinc/06/80/52/569068052.db2.gz KKDWGDQSJICKRO-UHFFFAOYSA-N 0 0 407.558 4.763 50 0 HJAARN O=C(COC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)Nc1ccc(F)cc1 ZINC000006590205 569068239 /nfs/dbraw/zinc/06/82/39/569068239.db2.gz ORYJSUQDMRNHDL-UHFFFAOYSA-N 0 0 416.408 4.943 50 0 HJAARN O=S(=O)(NC[C@@H](Nc1ccccc1F)c1ccccc1)c1ccc(Cl)s1 ZINC000006600116 569069231 /nfs/dbraw/zinc/06/92/31/569069231.db2.gz RHICNKUSQAJTFC-MRXNPFEDSA-N 0 0 410.923 4.672 50 0 HJAARN CC(C)c1ccc(-n2ccn3c(SCc4ccccc4Cl)nnc3c2=O)cc1 ZINC000064593909 569069641 /nfs/dbraw/zinc/06/96/41/569069641.db2.gz OGKOGGRPUPXUTR-UHFFFAOYSA-N 0 0 410.930 4.949 50 0 HJAARN CCc1nc2sc([C@H](c3ccccc3Cl)[N@H+]3C[C@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000016690096 569070618 /nfs/dbraw/zinc/07/06/18/569070618.db2.gz KMKCQFCXEQKKPF-AHIWAGSCSA-N 0 0 404.967 4.780 50 0 HJAARN COc1ccc(-c2c(C)oc3c(ccc4c3CN(Cc3ccco3)CO4)c2=O)cc1 ZINC000054313259 569070677 /nfs/dbraw/zinc/07/06/77/569070677.db2.gz CYFYSLBTWIZCBJ-UHFFFAOYSA-N 0 0 403.434 4.722 50 0 biogenic HJAARN Cc1ccc(CNC(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)cc1 ZINC000064611065 569071355 /nfs/dbraw/zinc/07/13/55/569071355.db2.gz HNNHNOHXPHOFOJ-UHFFFAOYSA-N 0 0 401.514 4.764 50 0 HJAARN O=C(CSc1ncnc2ccccc21)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000006608536 569071892 /nfs/dbraw/zinc/07/18/92/569071892.db2.gz OEBRQZKQHXDODP-UHFFFAOYSA-N 0 0 407.495 4.792 50 0 HJAARN CCCC[C@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)CN1C(=O)c1cc(C)no1 ZINC000426512137 569073302 /nfs/dbraw/zinc/07/33/02/569073302.db2.gz MMILSTFIQKNJOV-QFIPXVFZSA-N 0 0 417.509 4.698 50 0 HJAARN Cc1cc(NC(=S)NC(=O)c2cccs2)cc(-c2nc3ccccc3o2)c1O ZINC000006613132 569074294 /nfs/dbraw/zinc/07/42/94/569074294.db2.gz SWKPOQAIBVDXDH-UHFFFAOYSA-N 0 0 409.492 4.697 50 0 HJAARN Cc1[nH]c2cc(C)ccc2c1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000035999905 569074900 /nfs/dbraw/zinc/07/49/00/569074900.db2.gz XRYLEVHEEGBXKR-UHFFFAOYSA-N 0 0 415.459 4.808 50 0 HJAARN C[C@@H]1CCCCN1c1nc(-c2ccc(F)cc2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000036002780 569075356 /nfs/dbraw/zinc/07/53/56/569075356.db2.gz PEAPFLRQAWTLOG-MRXNPFEDSA-N 0 0 422.479 4.731 50 0 HJAARN C[C@H]1CCCCN1c1nc(-c2ccc(F)cc2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000036002781 569075373 /nfs/dbraw/zinc/07/53/73/569075373.db2.gz PEAPFLRQAWTLOG-INIZCTEOSA-N 0 0 422.479 4.731 50 0 HJAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2ccc3ccccc3c2)c1 ZINC000006625575 569075850 /nfs/dbraw/zinc/07/58/50/569075850.db2.gz LOWNWPYWRVCQGQ-UHFFFAOYSA-N 0 0 416.502 4.917 50 0 HJAARN Cc1ccccc1C1=NO[C@@H](CN(Cc2ccccc2)C(=O)c2ccccc2F)C1 ZINC000036013721 569076354 /nfs/dbraw/zinc/07/63/54/569076354.db2.gz CUTCIOFRKUWEMV-HXUWFJFHSA-N 0 0 402.469 4.970 50 0 HJAARN O=C1C[C@@H](c2c(F)cccc2Cl)c2scc(S(=O)(=O)c3ccccc3)c2N1 ZINC000064656604 569076802 /nfs/dbraw/zinc/07/68/02/569076802.db2.gz FSWUKZSNPLQCSR-LBPRGKRZSA-N 0 0 421.902 4.848 50 0 HJAARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2ccc(F)cc2)cc1 ZINC000064656754 569076883 /nfs/dbraw/zinc/07/68/83/569076883.db2.gz LQGLLVYRUDTHCE-INIZCTEOSA-N 0 0 401.484 4.503 50 0 HJAARN FC(F)(F)c1nc2cc3c(cc2n1Cc1ccc(Br)cc1)OCCO3 ZINC000064657170 569077117 /nfs/dbraw/zinc/07/71/17/569077117.db2.gz DABCVGRZZZXCPQ-UHFFFAOYSA-N 0 0 413.193 4.637 50 0 HJAARN COc1cc(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c(OC)cc1Cl ZINC000006638653 569077300 /nfs/dbraw/zinc/07/73/00/569077300.db2.gz JVIOXLDSUFRSJT-UHFFFAOYSA-N 0 0 414.845 4.763 50 0 HJAARN CCOc1cc(C(=O)Nc2ccc(C(C)=O)cc2)ccc1OCCOc1ccccc1 ZINC000006639301 569077828 /nfs/dbraw/zinc/07/78/28/569077828.db2.gz QOBCGKWHOZMYQM-UHFFFAOYSA-N 0 0 419.477 4.998 50 0 HJAARN Cc1c(S(=O)(=O)NC(C)(C)C)cc(-c2nc(-c3cccc(Cl)c3)cs2)n1C ZINC000064668158 569078777 /nfs/dbraw/zinc/07/87/77/569078777.db2.gz AJROPZBBJFQQBU-UHFFFAOYSA-N 0 0 423.991 4.854 50 0 HJAARN Cc1ccc(CN2c3ccccc3OC[C@H]2CC(=O)NCCCc2ccccc2)cc1 ZINC000064663941 569079839 /nfs/dbraw/zinc/07/98/39/569079839.db2.gz AKZYZITYWQDSGE-XMMPIXPASA-N 0 0 414.549 4.902 50 0 HJAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000006650676 569081480 /nfs/dbraw/zinc/08/14/80/569081480.db2.gz GHUYRYMCQJVYCE-UHFFFAOYSA-N 0 0 400.544 4.545 50 0 HJAARN O=C(CSc1nc2ccccc2[nH]1)N1c2ccccc2OC[C@H]1c1ccccc1 ZINC000006651968 569081647 /nfs/dbraw/zinc/08/16/47/569081647.db2.gz UQOBUBXWQDGJQN-FQEVSTJZSA-N 0 0 401.491 4.822 50 0 HJAARN Cc1ccccc1[C@@H]1CN(C(=O)c2cccc(Cl)c2)C[C@H]1C(=O)NCCC(C)C ZINC000036055059 569083179 /nfs/dbraw/zinc/08/31/79/569083179.db2.gz MDZMRPCUCOVLHK-FCHUYYIVSA-N 0 0 412.961 4.667 50 0 HJAARN Cc1ccccc1[C@H]1CN(C(=O)c2cccc(Cl)c2)C[C@H]1C(=O)NCCC(C)C ZINC000036055060 569083213 /nfs/dbraw/zinc/08/32/13/569083213.db2.gz MDZMRPCUCOVLHK-FGZHOGPDSA-N 0 0 412.961 4.667 50 0 HJAARN CCC(=O)N(CC(=O)Nc1nc(-c2ccc(C)cc2)cn1-c1ccc(C)cc1)C(C)C ZINC000036051283 569083703 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/nfs/dbraw/zinc/18/33/83/569183383.db2.gz TXDDSRAPIZIOLF-NRFANRHFSA-N 0 0 407.558 4.952 50 0 HJAARN Cc1cccc(NC(=O)N2CCC[C@H](CCC(=O)NCc3cc(F)cc(F)c3)C2)c1 ZINC000065136535 569183384 /nfs/dbraw/zinc/18/33/84/569183384.db2.gz QSLIMBOGPKDCIW-QGZVFWFLSA-N 0 0 415.484 4.614 50 0 HJAARN O=C(c1cc(F)ccc1Cl)N1CCC[C@H](c2noc(-c3cccc(F)c3)n2)C1 ZINC000065149450 569184598 /nfs/dbraw/zinc/18/45/98/569184598.db2.gz NYGIZFHFPBAXMK-ZDUSSCGKSA-N 0 0 403.816 4.688 50 0 HJAARN CCCn1c(-c2cccc(C(=O)Nc3ccc(OC)c(F)c3)c2)nc2cccnc21 ZINC000065172827 569189944 /nfs/dbraw/zinc/18/99/44/569189944.db2.gz DPVFNTABKWKDMK-UHFFFAOYSA-N 0 0 404.445 4.908 50 0 HJAARN Cc1ccc(-c2noc(-c3ccnc(SCC(=O)NCc4ccccc4)c3)n2)cc1 ZINC000065185621 569190783 /nfs/dbraw/zinc/19/07/83/569190783.db2.gz KVJPKNJAGVVBCJ-UHFFFAOYSA-N 0 0 416.506 4.516 50 0 HJAARN Cc1cc(Cl)ccc1NC(=O)CSc1ccc(-c2nc(C3CC3)no2)cn1 ZINC000065185787 569191974 /nfs/dbraw/zinc/19/19/74/569191974.db2.gz AVMSWMSICODQKH-UHFFFAOYSA-N 0 0 400.891 4.702 50 0 HJAARN Cc1cc(-c2nnc(-c3ccco3)o2)c(C)n1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000065194928 569193021 /nfs/dbraw/zinc/19/30/21/569193021.db2.gz ISVRSPTULHFFIO-UHFFFAOYSA-N 0 0 414.824 4.846 50 0 HJAARN Cc1cc(-c2nnc(-c3ccc(F)cc3)o2)c(C)n1CC(=O)Nc1ccc(C)cc1 ZINC000065194949 569193958 /nfs/dbraw/zinc/19/39/58/569193958.db2.gz XPDKRASXDBOMFW-UHFFFAOYSA-N 0 0 404.445 4.908 50 0 HJAARN Cc1ccc(C(=O)N[C@H](Cc2ccccc2)c2nnc(N3CCCCCC3)o2)cc1C ZINC000065209250 569195322 /nfs/dbraw/zinc/19/53/22/569195322.db2.gz DMCQVPYVFDSRAS-JOCHJYFZSA-N 0 0 418.541 4.781 50 0 HJAARN O=C(CC1CCCCC1)N[C@H](Cc1ccccc1)c1nnc(N2CCCCCC2)o1 ZINC000065209264 569195416 /nfs/dbraw/zinc/19/54/16/569195416.db2.gz UCMMROVHAZNFDU-OAQYLSRUSA-N 0 0 410.562 4.820 50 0 HJAARN C[C@H](Sc1nnc2[nH]c3ccccc3n21)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000006983103 569195748 /nfs/dbraw/zinc/19/57/48/569195748.db2.gz MZOBNCSEHVOXIE-ZDUSSCGKSA-N 0 0 421.526 4.559 50 0 HJAARN Cc1cccc(C)c1NC(=O)CNC(=O)c1ccccc1OCc1ccc(Cl)cc1 ZINC000006993405 569196993 /nfs/dbraw/zinc/19/69/93/569196993.db2.gz HJXKELFATOSNPX-UHFFFAOYSA-N 0 0 422.912 4.904 50 0 HJAARN COc1ccc(Cl)cc1N(C)C(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12 ZINC000007000843 569198635 /nfs/dbraw/zinc/19/86/35/569198635.db2.gz OTEPVTBKKFDPFR-UHFFFAOYSA-N 0 0 413.905 4.988 50 0 HJAARN CCn1cc2nc(SCc3cc(C)ccc3C)n(CCc3ccccc3)c(=O)c2n1 ZINC000007006399 569199391 /nfs/dbraw/zinc/19/93/91/569199391.db2.gz KAUCIQZFQGBZMB-UHFFFAOYSA-N 0 0 418.566 4.765 50 0 aggregator HJAARN COc1ccc(NC(=O)N2CCCn3nc(-c4cccc(Cl)c4)cc3C2)cc1F ZINC000065225383 569199570 /nfs/dbraw/zinc/19/95/70/569199570.db2.gz LDZUOOWWEAXIOW-UHFFFAOYSA-N 0 0 414.868 4.789 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)c1sc(-c2cn(C)c3ncccc23)nc1C ZINC000065240835 569203841 /nfs/dbraw/zinc/20/38/41/569203841.db2.gz CHOSDUQNFUBYBB-UHFFFAOYSA-N 0 0 412.902 4.920 50 0 HJAARN COc1ccc(CNC(=O)c2sc(-c3cn(C(C)C)c4ncccc34)nc2C)cc1 ZINC000065240943 569203913 /nfs/dbraw/zinc/20/39/13/569203913.db2.gz LBNLUHPZVMTNTG-UHFFFAOYSA-N 0 0 420.538 4.988 50 0 HJAARN COc1ccc(Nc2c(-c3nc(C(C)C)no3)cnc3nc(C)ccc32)cc1OC ZINC000065250641 569206313 /nfs/dbraw/zinc/20/63/13/569206313.db2.gz QDINENBIUIXSAN-UHFFFAOYSA-N 0 0 405.458 4.872 50 0 HJAARN COc1ccc(Nc2c(-c3nc(C4CC4)no3)cnc3nc(C)ccc32)c(OC)c1 ZINC000065250653 569206319 /nfs/dbraw/zinc/20/63/19/569206319.db2.gz WFITUZOFLWOZKL-UHFFFAOYSA-N 0 0 403.442 4.626 50 0 HJAARN COc1cccc(-c2cc(C(=O)Nc3c(C)cccc3C)c3c(C)nn(C)c3n2)c1 ZINC000036616152 569207262 /nfs/dbraw/zinc/20/72/62/569207262.db2.gz NYBMRTOZLCBSER-UHFFFAOYSA-N 0 0 400.482 4.821 50 0 HJAARN CCOc1ccc(NC(=O)c2cc(-c3cccc(OC)c3)nc3c2c(C)nn3C)cc1 ZINC000036616941 569207839 /nfs/dbraw/zinc/20/78/39/569207839.db2.gz RSWMLRDICCMRHJ-UHFFFAOYSA-N 0 0 416.481 4.603 50 0 HJAARN COc1ccc([C@@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)cc1 ZINC000036611709 569208905 /nfs/dbraw/zinc/20/89/05/569208905.db2.gz UESNBVGKPZGNAQ-MRXNPFEDSA-N 0 0 400.482 4.537 50 0 HJAARN C[C@H]1CCN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)c2ccccc2S1 ZINC000036619862 569211679 /nfs/dbraw/zinc/21/16/79/569211679.db2.gz GPXWOHQCGPVSSR-AWEZNQCLSA-N 0 0 400.931 4.998 50 0 HJAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1cccs1)c1cn(CC(C)C)c3cccc(c13)N2 ZINC000524730798 569212151 /nfs/dbraw/zinc/21/21/51/569212151.db2.gz XPVBNELNXXWMGE-OAQYLSRUSA-N 0 0 405.523 4.559 50 0 biogenic HJAARN CC(C)c1nnc2ccc(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)nn21 ZINC000524733341 569212918 /nfs/dbraw/zinc/21/29/18/569212918.db2.gz JAPRDGPICAMXCC-UHFFFAOYSA-N 0 0 419.510 4.771 50 0 HJAARN O=C(Nc1ccc(SCCc2ccc3c(c2)CCO3)nc1)c1ccc(Cl)nc1 ZINC000524734134 569213194 /nfs/dbraw/zinc/21/31/94/569213194.db2.gz AFKGCYCFBLSUDG-UHFFFAOYSA-N 0 0 411.914 4.652 50 0 HJAARN CN(C)C(=O)c1cc(NC(=O)C[C@H](c2ccc(Cl)cc2)n2cccc2)ccc1F ZINC000524732506 569213204 /nfs/dbraw/zinc/21/32/04/569213204.db2.gz KQNILBKGQLAZAH-HXUWFJFHSA-N 0 0 413.880 4.601 50 0 HJAARN COc1ccc2c(ccn2CCCNC(=O)C[C@@H](c2ccsc2)n2cccc2)c1 ZINC000524735742 569214335 /nfs/dbraw/zinc/21/43/35/569214335.db2.gz VZQXCJUEMNJDOK-QFIPXVFZSA-N 0 0 407.539 4.699 50 0 HJAARN COc1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4cccc5ccccc54)nc3C2)cc1 ZINC000007059463 569214604 /nfs/dbraw/zinc/21/46/04/569214604.db2.gz NFEMOVHJNFLYLQ-GOSISDBHSA-N 0 0 423.472 4.803 50 0 HJAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)OCC(=O)N1CCc2ccccc21 ZINC000007072655 569216939 /nfs/dbraw/zinc/21/69/39/569216939.db2.gz BJJWPAZWXMYNOL-UHFFFAOYSA-N 0 0 412.898 4.518 50 0 HJAARN CCOc1ccc(OCC)c(NC(=O)C2(c3ccc(Br)cc3)CC2)c1 ZINC000036664534 569217301 /nfs/dbraw/zinc/21/73/01/569217301.db2.gz AYTNKZLWJAMJDN-UHFFFAOYSA-N 0 0 404.304 4.917 50 0 HJAARN Cc1sc2c(ncn(C3CCCCC3)c2=O)c1C(=O)NCc1ccccc1Cl ZINC000065297668 569219106 /nfs/dbraw/zinc/21/91/06/569219106.db2.gz WZZIUHYRGVXOAX-UHFFFAOYSA-N 0 0 415.946 4.855 50 0 HJAARN CCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2cccc(CC)c2)C1 ZINC000065314755 569223323 /nfs/dbraw/zinc/22/33/23/569223323.db2.gz VTNVPVMXFSVJAE-IBGZPJMESA-N 0 0 418.541 4.836 50 0 HJAARN CCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2cc(C)ccc2C)C1 ZINC000065314754 569223403 /nfs/dbraw/zinc/22/34/03/569223403.db2.gz QDASKUPFPJWHOA-LJQANCHMSA-N 0 0 418.541 4.891 50 0 HJAARN Cc1ccc(CN2CCCN(c3cccc(C(=O)Nc4cccc(C)n4)c3)C2=O)cc1 ZINC000065315045 569223405 /nfs/dbraw/zinc/22/34/05/569223405.db2.gz QRAGSXIWMHSQSR-UHFFFAOYSA-N 0 0 414.509 4.783 50 0 HJAARN CCOc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3cccc(C)c3)no2)cc1OCC ZINC000065320407 569223678 /nfs/dbraw/zinc/22/36/78/569223678.db2.gz IKEVUBYHHSDKGU-IBGZPJMESA-N 0 0 421.497 4.820 50 0 HJAARN CCCc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccccc3C)no2)cc1 ZINC000065320780 569223975 /nfs/dbraw/zinc/22/39/75/569223975.db2.gz RPUVKSYXQADFRV-FQEVSTJZSA-N 0 0 411.527 4.523 50 0 HJAARN Cc1cc(C)cc(-c2nnc(SCc3nc4ccc(Cl)cc4n3CCO)o2)c1 ZINC000007127919 569224361 /nfs/dbraw/zinc/22/43/61/569224361.db2.gz GIYFVBKKGSLMBY-UHFFFAOYSA-N 0 0 414.918 4.641 50 0 HJAARN Cc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CN2CCCCC2)n3C(C)C)cc1 ZINC000065322284 569224524 /nfs/dbraw/zinc/22/45/24/569224524.db2.gz NMLWWNHZHAIIQB-UHFFFAOYSA-N 0 0 420.557 4.929 50 0 HJAARN COc1ccc(C(=O)Nc2ccc3c(c2)nc(CN2CCCCC2)n3C(C)C)cc1 ZINC000065322271 569224589 /nfs/dbraw/zinc/22/45/89/569224589.db2.gz NOGPJKJHYFPAEU-UHFFFAOYSA-N 0 0 406.530 4.864 50 0 HJAARN CCSC1=NC2(CCN(C(=O)NCc3ccccc3)CC2)N=C1c1ccc(C)cc1 ZINC000065329830 569225007 /nfs/dbraw/zinc/22/50/07/569225007.db2.gz UZSIXHSUZTUEPG-UHFFFAOYSA-N 0 0 420.582 4.651 50 0 HJAARN CCN(CC)c1ccc(NC(=O)[C@@H]2CCCN(c3nc4cccnc4s3)C2)c(C)c1 ZINC000065330752 569225147 /nfs/dbraw/zinc/22/51/47/569225147.db2.gz CPRXGNPQQOHPBO-QGZVFWFLSA-N 0 0 423.586 4.701 50 0 HJAARN CCOc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2cccc(Cl)c2)cc1OCC ZINC000065331213 569225206 /nfs/dbraw/zinc/22/52/06/569225206.db2.gz QISRIHOOEJOXDM-QGZVFWFLSA-N 0 0 411.889 4.797 50 0 HJAARN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000007136614 569225640 /nfs/dbraw/zinc/22/56/40/569225640.db2.gz SGRSHLZDTPUZGR-QGZVFWFLSA-N 0 0 413.930 4.566 50 0 HJAARN Cc1cccc(Nc2ccccc2C(=O)OCC(=O)NCCCc2ccccc2)c1C ZINC000007141433 569226234 /nfs/dbraw/zinc/22/62/34/569226234.db2.gz MKKCYESTOMEKJZ-UHFFFAOYSA-N 0 0 416.521 4.953 50 0 HJAARN CC(=O)c1cc2c(cc1NC(=O)Cc1csc(-c3ccccc3Cl)n1)OCO2 ZINC000036783942 569228230 /nfs/dbraw/zinc/22/82/30/569228230.db2.gz FEESOKBCDGBTSF-UHFFFAOYSA-N 0 0 414.870 4.576 50 0 HJAARN COC(=O)c1ccc2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)nc2c1 ZINC000002950776 569229262 /nfs/dbraw/zinc/22/92/62/569229262.db2.gz MSMYIYOOGNAEHW-UHFFFAOYSA-N 0 0 400.434 4.768 50 0 biogenic HJAARN CCOc1ccc(OCC)c(-c2csc(NC(=O)COc3ccccc3F)n2)c1 ZINC000007280825 569231868 /nfs/dbraw/zinc/23/18/68/569231868.db2.gz QPFNKKYIQOKFHT-UHFFFAOYSA-N 0 0 416.474 4.764 50 0 HJAARN O=C(Nc1cccc(Oc2ncccn2)c1)c1[nH]c2ccccc2c1Br ZINC000065489101 569231898 /nfs/dbraw/zinc/23/18/98/569231898.db2.gz RWBXOJHPCVHYNR-UHFFFAOYSA-N 0 0 409.243 4.765 50 0 HJAARN O=C(c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2ccnc(NC3CC3)c2)CC1 ZINC000065522185 569233724 /nfs/dbraw/zinc/23/37/24/569233724.db2.gz DUFQNQQXALFHAW-UHFFFAOYSA-N 0 0 418.324 4.698 50 0 HJAARN O=C(Nc1ccccc1Cc1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000007344635 569234615 /nfs/dbraw/zinc/23/46/15/569234615.db2.gz OOPWDCUTTBCJHG-UHFFFAOYSA-N 0 0 401.434 4.526 50 0 HJAARN O=C(CN1CCC[C@H]1c1nc2ccccc2s1)Nc1ccc(N2CCCC2)cc1 ZINC000007360319 569234982 /nfs/dbraw/zinc/23/49/82/569234982.db2.gz WUUQCVMETBGYRC-FQEVSTJZSA-N 0 0 406.555 4.672 50 0 HJAARN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000065577663 569236100 /nfs/dbraw/zinc/23/61/00/569236100.db2.gz CKWWEJRFTSVYBW-FQEVSTJZSA-N 0 0 411.505 4.666 50 0 HJAARN CSc1nc2ccc(NC(=O)N(Cc3cccnc3)C[C@H]3CCCO3)cc2s1 ZINC000065588495 569236639 /nfs/dbraw/zinc/23/66/39/569236639.db2.gz JWFJMDCSRUEZFB-MRXNPFEDSA-N 0 0 414.556 4.626 50 0 HJAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)Nc1ccc(C)cc1)CC2 ZINC000037215247 569240444 /nfs/dbraw/zinc/24/04/44/569240444.db2.gz SZOPSXDBAIVLDO-DEOSSOPVSA-N 0 0 422.550 4.660 50 0 HJAARN CCOc1ccc(-n2c(S[C@H](C)c3nnc(C)s3)nnc2-c2cccnc2)cc1 ZINC000170594237 569241346 /nfs/dbraw/zinc/24/13/46/569241346.db2.gz UMSCNYSEAUKINT-CYBMUJFWSA-N 0 0 424.555 4.741 50 0 HJAARN COC(=O)c1ccccc1N(C(=O)c1csc(Cc2ccccc2)n1)C1CCC1 ZINC000170595601 569241537 /nfs/dbraw/zinc/24/15/37/569241537.db2.gz IBIHNGPRIPAZOO-UHFFFAOYSA-N 0 0 406.507 4.720 50 0 HJAARN COc1ccc(NC(=O)CCc2ncc(C(C)(C)C)o2)cc1OCc1cccnc1 ZINC000170600188 569242947 /nfs/dbraw/zinc/24/29/47/569242947.db2.gz VEDZPZGKBALYOG-UHFFFAOYSA-N 0 0 409.486 4.526 50 0 HJAARN Cc1occc1-c1nnc(SCC2CCN(C(=O)OCc3ccccc3)CC2)o1 ZINC000170601450 569243200 /nfs/dbraw/zinc/24/32/00/569243200.db2.gz ZUESAJVCKZTJCP-UHFFFAOYSA-N 0 0 413.499 4.779 50 0 HJAARN CCC(=O)c1ccc(OCC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)cc1 ZINC000007506649 569243531 /nfs/dbraw/zinc/24/35/31/569243531.db2.gz QRHAZWWLNWOEBU-QFIPXVFZSA-N 0 0 416.477 4.937 50 0 HJAARN CCOc1nc(-c2ccc(OC)cc2)n(-c2cccc(NC(=O)c3cccs3)c2)n1 ZINC000037285157 569246460 /nfs/dbraw/zinc/24/64/60/569246460.db2.gz ORKAAISTUJRLHC-UHFFFAOYSA-N 0 0 420.494 4.655 50 0 HJAARN COc1ccccc1-c1nnc(SCCC[C@H](C)O)n1-c1ccc(Cl)cc1 ZINC000170613000 569246673 /nfs/dbraw/zinc/24/66/73/569246673.db2.gz VENHVNSTYCFFFE-AWEZNQCLSA-N 0 0 403.935 4.849 50 0 HJAARN COc1ccccc1C1=NN(C(C)=O)[C@H](c2cc3cccc(OC)c3nc2Cl)C1 ZINC000170615720 569247338 /nfs/dbraw/zinc/24/73/38/569247338.db2.gz AYUFTUFEIFXFPZ-SFHVURJKSA-N 0 0 409.873 4.603 50 0 HJAARN Cc1cccc([C@H]2CCCCCN2C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)c1 ZINC000170630385 569250618 /nfs/dbraw/zinc/25/06/18/569250618.db2.gz JRZNROIBPINRIP-PKTZIBPZSA-N 0 0 406.526 4.870 50 0 HJAARN O=C(c1cc(Cc2ccccc2)ccc1O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000170630138 569250647 /nfs/dbraw/zinc/25/06/47/569250647.db2.gz LMVRSMIDYXFXBT-UHFFFAOYSA-N 0 0 417.349 4.940 50 0 HJAARN Cc1cc(C)c(NC(=O)CN(C)C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)c(C)c1 ZINC000009757884 569250983 /nfs/dbraw/zinc/25/09/83/569250983.db2.gz GXRBYFXTZXFLBN-QFIPXVFZSA-N 0 0 413.949 4.996 50 0 HJAARN C[C@@H](Oc1ccccc1C(=O)Nc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000009910154 569251716 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569259392 /nfs/dbraw/zinc/25/93/92/569259392.db2.gz QOZQUMAIUIREEM-UHFFFAOYSA-N 0 0 401.441 4.824 50 0 HJAARN C[C@H](NC(=O)COc1ccc(F)c2c1C(=O)C[C@H]2C)c1ccc(Br)cc1 ZINC000014369382 569259688 /nfs/dbraw/zinc/25/96/88/569259688.db2.gz CKDWRKZVPVJEHW-NEPJUHHUSA-N 0 0 420.278 4.534 50 0 HJAARN Cn1ccnc1[C@@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)c1ccc(F)cc1 ZINC000014402407 569259839 /nfs/dbraw/zinc/25/98/39/569259839.db2.gz IPKGWVMBDWFGHG-FQEVSTJZSA-N 0 0 409.848 4.992 50 0 HJAARN COc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)cc3)n2)cc1 ZINC000014609437 569260664 /nfs/dbraw/zinc/26/06/64/569260664.db2.gz IZMKIVFJIIAIIS-UHFFFAOYSA-N 0 0 404.857 4.849 50 0 HJAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2c(C)cc(C)cc2Cl)ccc1C ZINC000014668835 569262431 /nfs/dbraw/zinc/26/24/31/569262431.db2.gz DRPDCYMGGZHMDY-UHFFFAOYSA-N 0 0 408.951 4.548 50 0 HJAARN Cn1ccnc1SCc1cccc(C(=O)N[C@@H]2CCC[C@H]2OCc2ccccc2)c1 ZINC000089761486 569263551 /nfs/dbraw/zinc/26/35/51/569263551.db2.gz PDKXAWYBSXPKNE-FGZHOGPDSA-N 0 0 421.566 4.580 50 0 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569306357 /nfs/dbraw/zinc/30/63/57/569306357.db2.gz SVZSIOJCZXGFCA-UHFFFAOYSA-N 0 0 422.500 4.857 50 0 HJAARN CCC(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)NCc2ccccc2)cc1 ZINC000037556742 569306459 /nfs/dbraw/zinc/30/64/59/569306459.db2.gz CAYQHFJGUGZSMG-UHFFFAOYSA-N 0 0 404.485 4.628 50 0 HJAARN COc1ccccc1CC(=O)N(Cc1nc(-c2ccc(C)cc2)no1)C1CCCCC1 ZINC000007759172 569307307 /nfs/dbraw/zinc/30/73/07/569307307.db2.gz SLXJIZIXYBVKIO-UHFFFAOYSA-N 0 0 419.525 4.958 50 0 HJAARN Cc1cccc(NC(=O)[C@H]2CCN(c3ccc(OCc4ccccc4)cc3)C2=O)c1 ZINC000037571033 569307457 /nfs/dbraw/zinc/30/74/57/569307457.db2.gz LSJASLMJUVKQDA-HSZRJFAPSA-N 0 0 400.478 4.566 50 0 HJAARN C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccc(Cl)cn1 ZINC000007763674 569307795 /nfs/dbraw/zinc/30/77/95/569307795.db2.gz KVFNXZSHLZJBKV-SNVBAGLBSA-N 0 0 405.936 4.509 50 0 HJAARN CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1ccc2c(c1)CCC2 ZINC000007777199 569308608 /nfs/dbraw/zinc/30/86/08/569308608.db2.gz PZZAYFGGCNHQHY-UHFFFAOYSA-N 0 0 409.917 4.858 50 0 HJAARN CC(C)(C)c1cc(NC(=O)CSc2ncnc3ccccc32)n(-c2ccccc2)n1 ZINC000007780107 569309523 /nfs/dbraw/zinc/30/95/23/569309523.db2.gz GITAIZUMSCWMSW-UHFFFAOYSA-N 0 0 417.538 4.844 50 0 HJAARN CCC(=O)N1CCc2ccc(O[C@@H](CC)C(=O)NC(C)C)cc2[C@H]1c1ccc(C)cc1 ZINC000037603471 569309563 /nfs/dbraw/zinc/30/95/63/569309563.db2.gz DFMFHARUXOEGPB-UKILVPOCSA-N 0 0 422.569 4.561 50 0 HJAARN Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(OCc4ccccc4)cc3)n2)c1 ZINC000007781102 569309982 /nfs/dbraw/zinc/30/99/82/569309982.db2.gz FJOUKKZATVIJDJ-UHFFFAOYSA-N 0 0 413.477 4.896 50 0 HJAARN COc1ccc(-c2noc(CN(C(=O)Nc3ccccc3C)C(C)C)n2)cc1OC ZINC000007781902 569310077 /nfs/dbraw/zinc/31/00/77/569310077.db2.gz WADHRZPAHDNROV-UHFFFAOYSA-N 0 0 410.474 4.505 50 0 HJAARN COc1cc(CN(C)[C@H](C)c2nnc(-c3ccc(C)cc3)o2)ccc1OC(F)F ZINC000007781808 569310106 /nfs/dbraw/zinc/31/01/06/569310106.db2.gz UJXTYXTURLPXFR-CQSZACIVSA-N 0 0 403.429 4.848 50 0 HJAARN CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc2oc(=O)cc(CC)c2cc1Cl ZINC000002220224 569312927 /nfs/dbraw/zinc/31/29/27/569312927.db2.gz AUZSKIODAIURAP-OAHLLOKOSA-N 0 0 423.893 4.608 50 0 HJAARN COc1ccc(OCCCC(=O)NCc2ccc(-c3csc(C)n3)s2)cc1 ZINC000007821530 569312987 /nfs/dbraw/zinc/31/29/87/569312987.db2.gz GTKHRDXUTKNPOO-UHFFFAOYSA-N 0 0 402.541 4.664 50 0 HJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc(C3CC3)nc3ccccc32)c1C ZINC000007822034 569313033 /nfs/dbraw/zinc/31/30/33/569313033.db2.gz FKOUGHNWJBLPRY-HNNXBMFYSA-N 0 0 404.466 4.688 50 0 HJAARN CC[C@@H](C)n1[nH]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(OCc2ccccc2)cc1 ZINC000002222679 569313319 /nfs/dbraw/zinc/31/33/19/569313319.db2.gz NURNGRBKIZFTRI-VFNWGFHPSA-N 0 0 423.538 4.913 50 0 HJAARN COc1ccc([C@@H](CNC(=O)COc2cccc(C)c2)c2c[nH]c3ccccc32)cc1 ZINC000007889976 569315324 /nfs/dbraw/zinc/31/53/24/569315324.db2.gz GMTNDPIWGBYLLN-HSZRJFAPSA-N 0 0 414.505 4.812 50 0 HJAARN COc1ccc([C@H](CNC(=O)COc2cccc(C)c2)c2c[nH]c3ccccc32)cc1 ZINC000007889973 569315388 /nfs/dbraw/zinc/31/53/88/569315388.db2.gz GMTNDPIWGBYLLN-QHCPKHFHSA-N 0 0 414.505 4.812 50 0 HJAARN Cc1nn(C)c(C)c1/C=C1\C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@@H]1O ZINC000253508528 569317948 /nfs/dbraw/zinc/31/79/48/569317948.db2.gz RPEZSVJLASPKQK-HXBSWGGRSA-N 0 0 410.602 4.715 50 0 HJAARN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N(C)CC(=O)Nc1ccccc1Cl ZINC000007912466 569321657 /nfs/dbraw/zinc/32/16/57/569321657.db2.gz PUJBVVDIBCEZCB-HOTGVXAUSA-N 0 0 401.938 4.751 50 0 HJAARN CCCCNC(=O)/C(=C/c1ccc(OCC)c2ccccc12)NC(=O)c1ccccc1 ZINC000003009768 569322763 /nfs/dbraw/zinc/32/27/63/569322763.db2.gz LNXUTOUEBPKTQJ-NKFKGCMQSA-N 0 0 416.521 4.926 50 0 HJAARN CC[C@H](COC(=O)Nc1ccccc1)N1C(=O)CS[C@H]1c1ccc(Cl)cc1 ZINC000002266336 569325809 /nfs/dbraw/zinc/32/58/09/569325809.db2.gz OEOUKJYIXQKSIE-MJGOQNOKSA-N 0 0 404.919 4.941 50 0 HJAARN C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1cccc(Br)c1 ZINC000007922140 569327150 /nfs/dbraw/zinc/32/71/50/569327150.db2.gz DUZJNFUWUFTQLF-LBPRGKRZSA-N 0 0 404.333 4.690 50 0 HJAARN CC(=O)c1sc2ccccc2c1OC(=O)c1ccc(I)cc1 ZINC000002280186 569328022 /nfs/dbraw/zinc/32/80/22/569328022.db2.gz UIIBLHSGXLEPIJ-UHFFFAOYSA-N 0 0 422.243 4.928 50 0 HJAARN CCOc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1I ZINC000027520925 569328148 /nfs/dbraw/zinc/32/81/48/569328148.db2.gz AUQPHYZIRCTNOA-UHFFFAOYSA-N 0 0 420.246 4.696 50 0 HJAARN c1ccc2sc(C3CCN(c4nnc(C5CC5)n4C[C@H]4CCCCO4)CC3)nc2c1 ZINC000253400972 569365548 /nfs/dbraw/zinc/36/55/48/569365548.db2.gz KPMZBQZDOATHEG-GOSISDBHSA-N 0 0 423.586 4.718 50 0 HJAARN O=c1c2ccccc2nc(-c2ccc(Br)cc2)n1NCc1ccccc1F ZINC000027532237 569367415 /nfs/dbraw/zinc/36/74/15/569367415.db2.gz AXNGIMDACOPKKM-UHFFFAOYSA-N 0 0 424.273 4.709 50 0 HJAARN Cc1ccc(C)c(-n2c(SC[C@H]3CCC(=O)N3)nnc2-c2ccccc2Cl)c1 ZINC000253418589 569367555 /nfs/dbraw/zinc/36/75/55/569367555.db2.gz BZABXGVGGXNXOS-OAHLLOKOSA-N 0 0 412.946 4.575 50 0 HJAARN CC1CCN(c2nnc(SCc3cnc4ccccc4c3)n2C[C@H]2CCCO2)CC1 ZINC000253420114 569367833 /nfs/dbraw/zinc/36/78/33/569367833.db2.gz MEQDNIJKWRPGSQ-HXUWFJFHSA-N 0 0 423.586 4.534 50 0 HJAARN CCOc1ccc([C@H](NC(=O)/C=C/c2ccco2)c2ccc(OC)c(OC)c2)cc1 ZINC000002291271 569369115 /nfs/dbraw/zinc/36/91/15/569369115.db2.gz QEHUSASEHIDEIZ-ZOBSEURRSA-N 0 0 407.466 4.615 50 0 HJAARN CC(C)Sc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)CC[C@@H](C)C3 ZINC000002292038 569369235 /nfs/dbraw/zinc/36/92/35/569369235.db2.gz CJJFKXOWFXKMMY-CYBMUJFWSA-N 0 0 410.568 4.720 50 0 HJAARN CC(C)c1nc2sc3c(ncnc3NC[C@@H]3CCCO3)c2c2c1COC(C)(C)C2 ZINC000002296481 569369427 /nfs/dbraw/zinc/36/94/27/569369427.db2.gz KIXLQVNFMRAEPB-ZDUSSCGKSA-N 0 0 412.559 4.805 50 0 HJAARN CC(C)c1nc2sc3c(ncnc3NC[C@H]3CCCO3)c2c2c1COC(C)(C)C2 ZINC000002296480 569369466 /nfs/dbraw/zinc/36/94/66/569369466.db2.gz KIXLQVNFMRAEPB-CYBMUJFWSA-N 0 0 412.559 4.805 50 0 HJAARN CC(C)CNC(=O)c1c(N)n(-c2ccc3ccccc3c2)c2nc3ccccc3nc12 ZINC000002305613 569372415 /nfs/dbraw/zinc/37/24/15/569372415.db2.gz DWLDHWZECGTJBH-UHFFFAOYSA-N 0 0 409.493 4.695 50 0 HJAARN Oc1cc2ccccc2cc1-c1nnc2c3cnn(-c4ccc(Cl)cc4)c3ncn21 ZINC000002334169 569375130 /nfs/dbraw/zinc/37/51/30/569375130.db2.gz SQVKXOFKISYZQT-UHFFFAOYSA-N 0 0 412.840 4.642 50 0 HJAARN CCOc1cc([C@@H]2NCc3cc(OCC)c(OCC)cc3-n3cccc32)ccc1O ZINC000055028080 569375838 /nfs/dbraw/zinc/37/58/38/569375838.db2.gz OXCXEWMONGDTMR-DEOSSOPVSA-N 0 0 408.498 4.572 50 0 HJAARN O=C(c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)N1CCCCCC1 ZINC000002336155 569376001 /nfs/dbraw/zinc/37/60/01/569376001.db2.gz YDGCLZKKGWGGAS-DEOSSOPVSA-N 0 0 408.567 4.520 50 0 HJAARN CCOc1cccc(OCCn2c(=O)c3ccccc3nc2-c2ccc(OC)cc2)c1 ZINC000002343941 569376479 /nfs/dbraw/zinc/37/64/79/569376479.db2.gz UGFAEHHXFUNKDT-UHFFFAOYSA-N 0 0 416.477 4.550 50 0 HJAARN O=C(NC[C@@](O)(c1ccoc1)c1cccs1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000253472915 569381472 /nfs/dbraw/zinc/38/14/72/569381472.db2.gz QPVNVOYLLMQRQF-JOCHJYFZSA-N 0 0 415.942 4.859 50 0 HJAARN Cc1oc(-c2cccs2)nc1C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 ZINC000253629995 569383354 /nfs/dbraw/zinc/38/33/54/569383354.db2.gz ODZKCENHBWBJNE-UHFFFAOYSA-N 0 0 404.451 4.611 50 0 HJAARN CCC(=O)N(Cc1ccc(OC)cc1)C(=O)CC[C@@]1(C(C)C)CCOC(C)(C)C1 ZINC000002357824 569385506 /nfs/dbraw/zinc/38/55/06/569385506.db2.gz KPTQCHDSSLJPRC-XMMPIXPASA-N 0 0 403.563 4.972 50 0 HJAARN Cc1cccc(-c2nc3s/c(=C\c4ccc(-c5cccc(Cl)c5)o4)c(=O)n3n2)c1 ZINC000002375463 569389361 /nfs/dbraw/zinc/38/93/61/569389361.db2.gz UNHRHGKVJXSSRD-UNOMPAQXSA-N 0 0 419.893 4.588 50 0 HJAARN Cc1c2ccccc2sc1C(=O)CSc1nnc(NC[C@H]2CCCO2)s1 ZINC000008356531 569389739 /nfs/dbraw/zinc/38/97/39/569389739.db2.gz RXFMNVACVQJDED-GFCCVEGCSA-N 0 0 405.570 4.627 50 0 HJAARN CCC(CC)COC(=O)c1c(N)n(-c2ccc(OC)cc2)c2nc3ccccc3nc12 ZINC000002380200 569390113 /nfs/dbraw/zinc/39/01/13/569390113.db2.gz OZPNQHQMMBGQMZ-UHFFFAOYSA-N 0 0 418.497 4.758 50 0 HJAARN COc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)c4ccco4)ccc3c2C)c1 ZINC000009419724 569392734 /nfs/dbraw/zinc/39/27/34/569392734.db2.gz NSUYYVRUTHFTTL-UHFFFAOYSA-N 0 0 405.406 4.835 50 0 HJAARN CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1 ZINC000002390122 569392766 /nfs/dbraw/zinc/39/27/66/569392766.db2.gz PVFGJCPKWYSBBI-QFIPXVFZSA-N 0 0 415.445 4.839 50 0 HJAARN COc1ccc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)c(OC)c1 ZINC000002409090 569396463 /nfs/dbraw/zinc/39/64/63/569396463.db2.gz GHBQQTYYEYKBAR-UHFFFAOYSA-N 0 0 401.418 4.730 50 0 HJAARN Cc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 ZINC000002417587 569397477 /nfs/dbraw/zinc/39/74/77/569397477.db2.gz CGUVAVYGSRWKBY-BJKOFHAPSA-N 0 0 410.452 4.938 50 0 HJAARN CCCCCOC(=O)c1c(N)n(Cc2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000002416726 569397499 /nfs/dbraw/zinc/39/74/99/569397499.db2.gz UORGLUDRMDJQDM-UHFFFAOYSA-N 0 0 402.498 4.870 50 0 HJAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(Cl)c1)N(C[C@H]1CCCO1)C3=O ZINC000002421836 569398165 /nfs/dbraw/zinc/39/81/65/569398165.db2.gz SGSOBPFEIVZVFE-UTKZUKDTSA-N 0 0 423.896 4.787 50 0 HJAARN CC[C@@H](C(=O)Nc1ncc2c(n1)C[C@H](c1ccc(F)cc1)CC2=O)c1ccccc1 ZINC000002423657 569398254 /nfs/dbraw/zinc/39/82/54/569398254.db2.gz QBMLRYMSEPUNGW-PKOBYXMFSA-N 0 0 403.457 4.661 50 0 HJAARN CC[C@@H](C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(F)cc1)CC2=O)c1ccccc1 ZINC000002423655 569398287 /nfs/dbraw/zinc/39/82/87/569398287.db2.gz QBMLRYMSEPUNGW-IEBWSBKVSA-N 0 0 403.457 4.661 50 0 HJAARN CC[C@H](C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(F)cc1)CC2=O)c1ccccc1 ZINC000002423654 569398306 /nfs/dbraw/zinc/39/83/06/569398306.db2.gz QBMLRYMSEPUNGW-MJGOQNOKSA-N 0 0 403.457 4.661 50 0 HJAARN CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nccs2)c1 ZINC000002422695 569398313 /nfs/dbraw/zinc/39/83/13/569398313.db2.gz FQBAEOVLFOGBID-IBGZPJMESA-N 0 0 418.474 4.706 50 0 HJAARN COc1ccc(Oc2c(=O)c3ccc(OC(=O)N(C)C)cc3oc2C(F)(F)F)cc1 ZINC000002424231 569398354 /nfs/dbraw/zinc/39/83/54/569398354.db2.gz SGXJWDVYEFNRLR-UHFFFAOYSA-N 0 0 423.343 4.673 50 0 biogenic HJAARN CSc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC(C)C)cc1 ZINC000002427522 569398767 /nfs/dbraw/zinc/39/87/67/569398767.db2.gz YKRBEEJVABSCRQ-NRFANRHFSA-N 0 0 423.534 4.875 50 0 HJAARN Clc1ccc(-n2ncc3c4nc(CCc5ccccc5)nn4cnc32)cc1Cl ZINC000002435542 569399615 /nfs/dbraw/zinc/39/96/15/569399615.db2.gz URURVBRUBXBKGU-UHFFFAOYSA-N 0 0 409.280 4.555 50 0 HJAARN Cc1ccc(-n2ncc3c4nnc(Cc5cccc6ccccc65)n4cnc32)cc1C ZINC000002439784 569400108 /nfs/dbraw/zinc/40/01/08/569400108.db2.gz HWEWZJIGLSIKKA-UHFFFAOYSA-N 0 0 404.477 4.824 50 0 HJAARN Cc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1C ZINC000002447019 569401387 /nfs/dbraw/zinc/40/13/87/569401387.db2.gz NRDVWWMBHJDSJO-UHFFFAOYSA-N 0 0 423.929 4.817 50 0 HJAARN COc1cc(C(=O)Nc2cc(C(C)(C)C)ccc2O)ccc1OCc1cscn1 ZINC000012981087 569405997 /nfs/dbraw/zinc/40/59/97/569405997.db2.gz FTHMESNZMHZCAV-UHFFFAOYSA-N 0 0 412.511 4.986 50 0 HJAARN COc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc(Cl)c1OC(C)C ZINC000013057988 569408179 /nfs/dbraw/zinc/40/81/79/569408179.db2.gz OAQYQKRJQLLYCB-UHFFFAOYSA-N 0 0 416.949 4.715 50 0 HJAARN Cc1ccc2c(CC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)coc2c1 ZINC000013059957 569408315 /nfs/dbraw/zinc/40/83/15/569408315.db2.gz IGZLAWPZJZKWLP-UHFFFAOYSA-N 0 0 402.416 4.651 50 0 HJAARN CCOc1ccccc1-n1nnnc1SCc1csc(Nc2ccc(C)cc2)n1 ZINC000013138012 569409818 /nfs/dbraw/zinc/40/98/18/569409818.db2.gz FBMVPSIHNMBCMD-UHFFFAOYSA-N 0 0 424.555 4.862 50 0 HJAARN COc1ccccc1C(=O)NCCc1nc2ccccc2n1Cc1cc(C)ccc1C ZINC000013283316 569410383 /nfs/dbraw/zinc/41/03/83/569410383.db2.gz RVJXOFFVCNRHKK-UHFFFAOYSA-N 0 0 413.521 4.683 50 0 HJAARN O=C(Cc1ccc(Cl)cc1)Nc1cccc(NC(=O)Cc2ccc(Cl)cc2)n1 ZINC000013285131 569410470 /nfs/dbraw/zinc/41/04/70/569410470.db2.gz ADXKUJNNOLSRBF-UHFFFAOYSA-N 0 0 414.292 4.751 50 0 HJAARN O=C(c1c(F)cccc1Cl)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccccc1 ZINC000002456709 569410758 /nfs/dbraw/zinc/41/07/58/569410758.db2.gz ZICXGGCEOONTDT-NRFANRHFSA-N 0 0 412.823 4.802 50 0 HJAARN COc1ccc(OC)c(CNC(=O)C2=Cc3cc(-c4ccc(C)cc4)ccc3OC2)c1 ZINC000013353162 569411323 /nfs/dbraw/zinc/41/13/23/569411323.db2.gz VXCLHYZHAXCNOX-UHFFFAOYSA-N 0 0 415.489 4.771 50 0 HJAARN O=C(Nc1ccc(SCc2nc3ccccc3[nH]c2=O)cc1)c1ccccc1F ZINC000013361079 569411799 /nfs/dbraw/zinc/41/17/99/569411799.db2.gz NMPMAKONYLVWRZ-UHFFFAOYSA-N 0 0 405.454 4.607 50 0 HJAARN COCC(=O)N1c2nc(C3CCCCC3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013370096 569412748 /nfs/dbraw/zinc/41/27/48/569412748.db2.gz BIQVOXGCWQBSJT-MOPGFXCFSA-N 0 0 400.567 4.537 50 0 biogenic HJAARN Cc1ccc(N(Cc2ccco2)C(=O)CCN2C(=O)CSc3ccccc32)cc1 ZINC000019295148 569414697 /nfs/dbraw/zinc/41/46/97/569414697.db2.gz AZGZCBTZJDYQJQ-UHFFFAOYSA-N 0 0 406.507 4.650 50 0 HJAARN Cc1ccc(N2C(=O)CC[C@H](c3nc([C@H]4CCOC4)no3)[C@H]2c2cccs2)cc1 ZINC000328594568 569415831 /nfs/dbraw/zinc/41/58/31/569415831.db2.gz VBQDHUWVVSGAQD-KNBMTAEXSA-N 0 0 409.511 4.595 50 0 HJAARN CCOc1ccc(-c2nc(CC(=O)N3CCC[C@H]3[C@H]3CCCCC3=O)cs2)cc1 ZINC000079056511 569425956 /nfs/dbraw/zinc/42/59/56/569425956.db2.gz VGDSXDPEBJTCEJ-UXHICEINSA-N 0 0 412.555 4.502 50 0 HJAARN CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(-c2ccccc2)o1 ZINC000079189144 569429192 /nfs/dbraw/zinc/42/91/92/569429192.db2.gz IGHZMHVUJAATKT-SIKLNZKXSA-N 0 0 402.402 4.509 50 0 biogenic HJAARN COc1cccc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(F)c2)c1 ZINC000019731077 569429504 /nfs/dbraw/zinc/42/95/04/569429504.db2.gz OYKRXWVCSISKJI-RUZDIDTESA-N 0 0 407.485 4.999 50 0 HJAARN O=C(Nc1ccc2c(c1)C(=O)Nc1cccnc1O2)c1ccc(Cl)nc1Cl ZINC000079484472 569431974 /nfs/dbraw/zinc/43/19/74/569431974.db2.gz CPYOWTHCUBMJFB-UHFFFAOYSA-N 0 0 401.209 4.778 50 0 HJAARN Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000028730511 571037665 /nfs/dbraw/zinc/03/76/65/571037665.db2.gz HDJPRTPBWHDTMJ-UHFFFAOYSA-N 0 0 419.409 4.553 50 0 HJAARN COc1ccc(C)cc1NC(=O)c1sc2ncnc(N3CCCC[C@H]3C)c2c1C ZINC000027534538 571049413 /nfs/dbraw/zinc/04/94/13/571049413.db2.gz CAJADYQNAGQKHU-CQSZACIVSA-N 0 0 410.543 4.948 50 0 HJAARN COc1ccc(-n2cc(-c3nc(-c4cccc(F)c4)no3)c3ccccc3c2=O)cc1 ZINC000067245181 571053557 /nfs/dbraw/zinc/05/35/57/571053557.db2.gz PUPZXAONPWKAEQ-UHFFFAOYSA-N 0 0 413.408 4.855 50 0 HJAARN CCOC(=O)c1ccccc1NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O ZINC000008477467 571053735 /nfs/dbraw/zinc/05/37/35/571053735.db2.gz QOJMETLTEOMXHN-UHFFFAOYSA-N 0 0 419.433 4.514 50 0 biogenic HJAARN Clc1cccc(-c2nnc(Cc3nc(-c4ccc(Br)cc4)no3)o2)c1 ZINC000067246234 571054344 /nfs/dbraw/zinc/05/43/44/571054344.db2.gz OFVXTIVAAATDHW-UHFFFAOYSA-N 0 0 417.650 4.793 50 0 HJAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccc(F)c(F)c2)cc1 ZINC000067258870 571058200 /nfs/dbraw/zinc/05/82/00/571058200.db2.gz YBEYQZPLUOTLIO-UHFFFAOYSA-N 0 0 410.445 4.965 50 0 HJAARN CCCCn1c(=O)c2ccccc2nc1SCc1ccc(N2CCCC2=O)cc1 ZINC000067259699 571058839 /nfs/dbraw/zinc/05/88/39/571058839.db2.gz SIPOGJNBLZSNBM-UHFFFAOYSA-N 0 0 407.539 4.616 50 0 HJAARN CCN1c2ccccc2-c2nc(SCc3ccc(C)c(C)c3)ncc2S1(=O)=O ZINC000067260048 571059258 /nfs/dbraw/zinc/05/92/58/571059258.db2.gz MTEQMCRJUNMRGJ-UHFFFAOYSA-N 0 0 411.552 4.581 50 0 HJAARN Cc1cccc2sc(N(Cc3ccccc3)C(=O)CSc3nncs3)nc21 ZINC000008505307 571062862 /nfs/dbraw/zinc/06/28/62/571062862.db2.gz ZFWFIAJYJIKOIQ-UHFFFAOYSA-N 0 0 412.565 4.782 50 0 HJAARN O=C(CSc1nccn2nc(-c3cccs3)cc12)Nc1cccc(Cl)c1 ZINC000067290113 571066932 /nfs/dbraw/zinc/06/69/32/571066932.db2.gz GCTVYQHHVWYBMM-UHFFFAOYSA-N 0 0 400.916 4.842 50 0 HJAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccc(F)cc4)nccn3n2)cc1 ZINC000067290356 571067420 /nfs/dbraw/zinc/06/74/20/571067420.db2.gz VOZSJYANQXJOTO-UHFFFAOYSA-N 0 0 422.485 4.665 50 0 HJAARN Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)cc1C ZINC000067292752 571068062 /nfs/dbraw/zinc/06/80/62/571068062.db2.gz TUIIKLXIEWVNNU-HGFVNXKRSA-N 0 0 410.901 4.844 50 0 HJAARN CCc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000067292770 571068429 /nfs/dbraw/zinc/06/84/29/571068429.db2.gz BWWWPPLHJNNNRM-HGFVNXKRSA-N 0 0 410.901 4.790 50 0 HJAARN O=C(NC[C@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1ccccc1Cl ZINC000067292949 571068692 /nfs/dbraw/zinc/06/86/92/571068692.db2.gz JPZBIJACIHGJRU-MEFNAMQOSA-N 0 0 417.292 4.881 50 0 HJAARN Cc1cc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)ccc1F ZINC000067293055 571068726 /nfs/dbraw/zinc/06/87/26/571068726.db2.gz JKPDEBXZQXPPJM-LYYOGKFUSA-N 0 0 414.864 4.675 50 0 HJAARN Cc1ccc(C)c(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)c1 ZINC000067292807 571068744 /nfs/dbraw/zinc/06/87/44/571068744.db2.gz DTMSPGMMHASTPN-RHGYLGJDSA-N 0 0 410.901 4.844 50 0 HJAARN COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(F)cc3C)oc21 ZINC000067293610 571069038 /nfs/dbraw/zinc/06/90/38/571069038.db2.gz YVLCTNSLZHYMDD-RWEWTDSWSA-N 0 0 403.413 4.769 50 0 HJAARN COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(F)c(C)c3)oc21 ZINC000067295960 571070869 /nfs/dbraw/zinc/07/08/69/571070869.db2.gz WPDOSJPNLDLCAQ-GFMRDNFCSA-N 0 0 409.442 4.830 50 0 HJAARN CCC[C@H](NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1CCC)c1ccccc1 ZINC000008538824 571075150 /nfs/dbraw/zinc/07/51/50/571075150.db2.gz XRUFJVAFLNFAHH-XLIONFOSSA-N 0 0 423.582 4.945 50 0 HJAARN CCC(=O)Nc1ccc(C(=O)COC(=O)c2cc(C3CC3)nc3ccccc32)cc1 ZINC000008540431 571075421 /nfs/dbraw/zinc/07/54/21/571075421.db2.gz ONLSBJQMINWKRT-UHFFFAOYSA-N 0 0 402.450 4.500 50 0 HJAARN O=C(/C=C/c1cc2cc(Br)ccc2o1)Nc1ccc2ccc(=O)oc2c1 ZINC000067339899 571080770 /nfs/dbraw/zinc/08/07/70/571080770.db2.gz YNGUYGHGNDVMNL-FNORWQNLSA-N 0 0 410.223 4.954 50 0 HJAARN CC(=O)c1cccc(NC(=O)C[C@@H](c2ccc(C)cc2)N2Cc3ccccc3C2=O)c1 ZINC000008592685 571086752 /nfs/dbraw/zinc/08/67/52/571086752.db2.gz ZZCKGHCKEIOEKJ-DEOSSOPVSA-N 0 0 412.489 4.924 50 0 HJAARN O=C(CCc1ccccc1)NCc1ccc2c(c1)CCN2C(=O)c1ccc(Cl)cc1 ZINC000008602013 571090563 /nfs/dbraw/zinc/09/05/63/571090563.db2.gz ZGPRFXDHYWEUEQ-UHFFFAOYSA-N 0 0 418.924 4.792 50 0 HJAARN CCc1nnc(-c2cn(CC(=O)Nc3cc(Cl)ccc3OC)c3ccccc23)o1 ZINC000038878244 571092561 /nfs/dbraw/zinc/09/25/61/571092561.db2.gz PRWPSUYVYGCWPH-UHFFFAOYSA-N 0 0 410.861 4.554 50 0 HJAARN O=C(CSc1nc2ccccc2n1Cc1ccccc1F)NCc1ccccc1 ZINC000008609112 571093693 /nfs/dbraw/zinc/09/36/93/571093693.db2.gz ZABYHHALRNZVQF-UHFFFAOYSA-N 0 0 405.498 4.632 50 0 HJAARN CC1CCC(NC(=O)[C@]2(C)Cc3ccccc3C(=O)N2Cc2ccc(Cl)cc2)CC1 ZINC000008610041 571093933 /nfs/dbraw/zinc/09/39/33/571093933.db2.gz XDOHBLPMPARGGD-FMYUDYQQSA-N 0 0 424.972 4.992 50 0 HJAARN CC1CCC(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)N2Cc2ccccc2Cl)CC1 ZINC000008610047 571094118 /nfs/dbraw/zinc/09/41/18/571094118.db2.gz QKOPJMKUKILYEM-DZMFODKZSA-N 0 0 424.972 4.992 50 0 HJAARN Cc1c(C[NH2+]Cc2ccc(Cl)cc2)c(C(=O)[O-])c(C)n1Cc1ccc(F)cc1 ZINC000008610872 571094446 /nfs/dbraw/zinc/09/44/46/571094446.db2.gz GIGOMAHSLSSJSB-UHFFFAOYSA-N 0 0 400.881 4.934 50 0 HJAARN Cc1oc(-c2ccc(C(=O)NCCC(C)C)cc2)nc1CN1CCc2ccccc21 ZINC000008610845 571094463 /nfs/dbraw/zinc/09/44/63/571094463.db2.gz AYDABCHDWNRPMU-UHFFFAOYSA-N 0 0 403.526 4.989 50 0 HJAARN CCOc1cccc(Nc2nn(-c3ccc(OC(F)(F)F)cc3)nc2C(C)=O)c1 ZINC000008613017 571095415 /nfs/dbraw/zinc/09/54/15/571095415.db2.gz QDFJOYMFUPOQPB-UHFFFAOYSA-N 0 0 406.364 4.511 50 0 HJAARN CCn1cc2nc(SCc3ccccc3Cl)n(CCc3ccccc3)c(=O)c2n1 ZINC000008619226 571096178 /nfs/dbraw/zinc/09/61/78/571096178.db2.gz HQEVRZHUYHPBOV-UHFFFAOYSA-N 0 0 424.957 4.801 50 0 HJAARN COCCn1c(-c2nc(C(=O)Nc3cccc(C(C)=O)c3)cs2)cc2ccccc21 ZINC000038911507 571096356 /nfs/dbraw/zinc/09/63/56/571096356.db2.gz QBHFVXABSXUMIG-UHFFFAOYSA-N 0 0 419.506 4.866 50 0 HJAARN Cc1ccnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(F)cc2)c1 ZINC000008664951 571099950 /nfs/dbraw/zinc/09/99/50/571099950.db2.gz HNGRPAKDSOUZLR-OAQYLSRUSA-N 0 0 400.409 4.694 50 0 HJAARN C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008709257 571104359 /nfs/dbraw/zinc/10/43/59/571104359.db2.gz ZRBAGJVDJFTENS-HTAPYJJXSA-N 0 0 402.494 4.775 50 0 HJAARN Oc1cccc(C2=NN(c3nc(-c4ccc(F)cc4)cs3)[C@@](O)(C(F)(F)F)C2)c1 ZINC000008711556 571105506 /nfs/dbraw/zinc/10/55/06/571105506.db2.gz GLAPRZBFTOWGKB-SFHVURJKSA-N 0 0 423.391 4.520 50 0 HJAARN COc1ccc(-c2csc(N3N=C(c4ccccc4)C[C@@]3(O)C(F)(F)F)n2)cc1 ZINC000008711501 571105561 /nfs/dbraw/zinc/10/55/61/571105561.db2.gz JJBIDKQMUQQHFY-LJQANCHMSA-N 0 0 419.428 4.684 50 0 HJAARN COc1ccc(-c2nc(CSc3n[nH]c(-c4cccs4)n3)cs2)cc1OC ZINC000008719193 571106377 /nfs/dbraw/zinc/10/63/77/571106377.db2.gz ZXJUMRVJOFDMIP-UHFFFAOYSA-N 0 0 416.553 4.966 50 0 HJAARN COc1cc(C)c(CN(C)C(=O)c2ccc(-n3cnc4ccccc43)cc2)cc1OC ZINC000008721503 571107246 /nfs/dbraw/zinc/10/72/46/571107246.db2.gz JHUWZRNHJFMAHP-UHFFFAOYSA-N 0 0 415.493 4.623 50 0 HJAARN Cc1sc2nc(COC(=O)c3ccc(-c4ccc(O)cc4)cc3)nc(N)c2c1C ZINC000008726709 571108538 /nfs/dbraw/zinc/10/85/38/571108538.db2.gz INSJHRHLSPFFBR-UHFFFAOYSA-N 0 0 405.479 4.620 50 0 HJAARN CCOC(=O)[C@H](c1ccc(Cl)cc1)N(CC)C(=O)c1nc(Cl)ccc1Cl ZINC000008747924 571111405 /nfs/dbraw/zinc/11/14/05/571111405.db2.gz AOVHQGKXCBKHDE-INIZCTEOSA-N 0 0 415.704 4.808 50 0 HJAARN COc1ccc(-c2c[nH]c(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000008770227 571116930 /nfs/dbraw/zinc/11/69/30/571116930.db2.gz GILLEVQPHAYOPM-UHFFFAOYSA-N 0 0 423.416 4.715 50 0 HJAARN COC(=O)c1sc2ccccc2c1-n1cccc1C(=O)C(=O)Nc1ccc(C)cc1 ZINC000008773047 571117640 /nfs/dbraw/zinc/11/76/40/571117640.db2.gz OXEKQMCTHBRHPX-UHFFFAOYSA-N 0 0 418.474 4.608 50 0 aggregator HJAARN C[C@@H](NC(=O)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1)c1ccccc1 ZINC000008811754 571121043 /nfs/dbraw/zinc/12/10/43/571121043.db2.gz HAUPUOCBGKQOQS-OAHLLOKOSA-N 0 0 417.914 4.539 50 0 HJAARN CCOc1cc([C@@H]2Nc3sc(C)c(C)c3C(=O)N2)ccc1OC(=O)c1ccccc1 ZINC000008842981 571124283 /nfs/dbraw/zinc/12/42/83/571124283.db2.gz ODQVMMGLHSCFCK-FQEVSTJZSA-N 0 0 422.506 4.837 50 0 HJAARN Cc1cc(C)n(CCCNC(=O)c2oc3ccccc3c2COc2ccccc2)n1 ZINC000008847965 571126004 /nfs/dbraw/zinc/12/60/04/571126004.db2.gz KACCCTKIPTXSCP-UHFFFAOYSA-N 0 0 403.482 4.645 50 0 HJAARN O=C(CSc1nc2cc(Cl)cnc2[nH]1)N(Cc1ccccc1)Cc1ccccc1 ZINC000008862269 571128592 /nfs/dbraw/zinc/12/85/92/571128592.db2.gz HNJWQPJJEVLYJC-UHFFFAOYSA-N 0 0 422.941 4.932 50 0 HJAARN O=C(c1ccccc1F)N1N=C(c2ccsc2)C[C@H]1c1ccc2nccnc2c1 ZINC000039563659 571133345 /nfs/dbraw/zinc/13/33/45/571133345.db2.gz WJJIRQIVUDOWNM-NRFANRHFSA-N 0 0 402.454 4.822 50 0 HJAARN Cc1csc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCC3)n1 ZINC000039977722 571135610 /nfs/dbraw/zinc/13/56/10/571135610.db2.gz DCDGCAQLJXWDAL-LJQANCHMSA-N 0 0 409.555 4.885 50 0 HJAARN Cc1csc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCC3)n1 ZINC000039977721 571135693 /nfs/dbraw/zinc/13/56/93/571135693.db2.gz DCDGCAQLJXWDAL-IBGZPJMESA-N 0 0 409.555 4.885 50 0 HJAARN CN(Cc1ccsc1)C(=O)c1ccccc1SCC(=O)NCC1CCCCC1 ZINC000039981836 571136017 /nfs/dbraw/zinc/13/60/17/571136017.db2.gz TYCVDRCOZFORGU-UHFFFAOYSA-N 0 0 416.612 4.809 50 0 HJAARN CC(C)N(CC(=O)Nc1ccc(C(C)(C)C)cc1)Cc1nnc(-c2ccccc2)o1 ZINC000040012036 571138001 /nfs/dbraw/zinc/13/80/01/571138001.db2.gz NGKJXLBKVHMUOD-UHFFFAOYSA-N 0 0 406.530 4.883 50 0 HJAARN O=C(COc1ccc2oc3ccccc3c2c1)NCc1ccccc1Cn1ccnc1 ZINC000040023571 571139422 /nfs/dbraw/zinc/13/94/22/571139422.db2.gz NOBSZDXCNONBON-UHFFFAOYSA-N 0 0 411.461 4.526 50 0 HJAARN Cc1nc(-c2ccccc2)ccc1C(=O)O[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000040049404 571143439 /nfs/dbraw/zinc/14/34/39/571143439.db2.gz XZUQXKHGGSSALB-QGZVFWFLSA-N 0 0 411.461 4.789 50 0 HJAARN O=C(COc1ccc(Oc2ccccn2)cc1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000040060260 571147243 /nfs/dbraw/zinc/14/72/43/571147243.db2.gz JJLGPIYXQJJIDA-VWLOTQADSA-N 0 0 411.461 4.554 50 0 HJAARN COc1cc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)ccc1OCc1cscn1 ZINC000040068046 571148624 /nfs/dbraw/zinc/14/86/24/571148624.db2.gz VSVHPHSZTGKKPT-ZDUSSCGKSA-N 0 0 402.903 4.875 50 0 HJAARN C[C@H](NC(=O)N(C)Cc1ccccc1C(F)(F)F)c1ccc(-n2ccnc2)cc1 ZINC000040068789 571148943 /nfs/dbraw/zinc/14/89/43/571148943.db2.gz DDGVZXWMBLPWIZ-HNNXBMFYSA-N 0 0 402.420 4.794 50 0 HJAARN CCNC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccccc2F)cc1 ZINC000008913643 571149967 /nfs/dbraw/zinc/14/99/67/571149967.db2.gz CKWWQURVSMVROE-UHFFFAOYSA-N 0 0 420.513 4.661 50 0 HJAARN O=C(Nc1ccc(F)c(F)c1F)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000040073417 571153721 /nfs/dbraw/zinc/15/37/21/571153721.db2.gz UPFWXIKEPYQOMS-CQSZACIVSA-N 0 0 417.214 4.654 50 0 HJAARN O=C(COC(=O)c1cc2c(s1)-c1ccccc1OC2)Nc1cc(Cl)ccc1F ZINC000008919367 571154866 /nfs/dbraw/zinc/15/48/66/571154866.db2.gz MEBJIADWTXTXIH-UHFFFAOYSA-N 0 0 417.845 4.896 50 0 HJAARN O=C(Nc1ncc(-c2ccccc2)s1)c1cccc(NC(=O)c2cccnc2)c1 ZINC000040087532 571157848 /nfs/dbraw/zinc/15/78/48/571157848.db2.gz IKXIQRDTHFTDNA-UHFFFAOYSA-N 0 0 400.463 4.710 50 0 HJAARN COc1cc([C@H](C)NC(=O)Cc2csc(-c3ccco3)n2)ccc1OCC(C)C ZINC000040087552 571157877 /nfs/dbraw/zinc/15/78/77/571157877.db2.gz BOCRNBWBFDFIHL-HNNXBMFYSA-N 0 0 414.527 4.866 50 0 HJAARN CCOc1ccc([C@@H](NC(=O)CSCc2c(C)noc2C)c2ccccc2)cc1 ZINC000040089223 571159080 /nfs/dbraw/zinc/15/90/80/571159080.db2.gz DDQJQIHNBNRYTE-QHCPKHFHSA-N 0 0 410.539 4.829 50 0 HJAARN O=C(Nc1ccccc1Oc1ccccc1)N1CCC(c2nnc3ccccn32)CC1 ZINC000040099122 571162771 /nfs/dbraw/zinc/16/27/71/571162771.db2.gz YRJPFRSGQAGUES-UHFFFAOYSA-N 0 0 413.481 4.933 50 0 HJAARN COc1cccc(Cn2c(C)c(C[NH2+]C[C@H](C)c3ccccc3)c(C(=O)[O-])c2C)c1 ZINC000008932938 571163350 /nfs/dbraw/zinc/16/33/50/571163350.db2.gz BHGXMKQXMWYSND-KRWDZBQOSA-N 0 0 406.526 4.753 50 0 HJAARN COc1cccc(Cn2c(C)c(C[NH2+]Cc3cccc(Cl)c3)c(C(=O)[O-])c2C)c1 ZINC000008932912 571163471 /nfs/dbraw/zinc/16/34/71/571163471.db2.gz VRLBHLXOADRXTE-UHFFFAOYSA-N 0 0 412.917 4.803 50 0 HJAARN O=C(COc1ccccc1-c1ccccc1)NCc1cc(Cl)c2c(c1)OCCCO2 ZINC000008936640 571164202 /nfs/dbraw/zinc/16/42/02/571164202.db2.gz CKPPMDTUOXFQGG-UHFFFAOYSA-N 0 0 423.896 4.864 50 0 HJAARN O=C(NC1CCN(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CC1)c1ccccc1 ZINC000040103593 571164268 /nfs/dbraw/zinc/16/42/68/571164268.db2.gz OWZOOVBEBXYIEZ-UHFFFAOYSA-N 0 0 411.505 4.684 50 0 HJAARN COc1ccc(C(=O)CSc2nnc(C)n2C2CCCCC2)cc1Br ZINC000008943061 571169238 /nfs/dbraw/zinc/16/92/38/571169238.db2.gz CNAYMALOCUDVNH-UHFFFAOYSA-N 0 0 424.364 4.838 50 0 HJAARN Cc1cc(CSc2ncccc2C(=O)N[C@@H](C)Cc2ccccc2Cl)no1 ZINC000040111966 571169901 /nfs/dbraw/zinc/16/99/01/571169901.db2.gz XAQXATPWYFWKMV-ZDUSSCGKSA-N 0 0 401.919 4.685 50 0 HJAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](C)Cc2cccc(Cl)c2)cc1 ZINC000040113079 571171383 /nfs/dbraw/zinc/17/13/83/571171383.db2.gz NBWXHCTXRUUQPN-OAHLLOKOSA-N 0 0 414.962 4.707 50 0 HJAARN CCc1ccc(Cl)c(CC)c1NC(=O)[C@H]1CCCN(c2ccc(Cl)nn2)C1 ZINC000040129169 571180362 /nfs/dbraw/zinc/18/03/62/571180362.db2.gz UNFLRDWNQNTRPV-AWEZNQCLSA-N 0 0 407.345 4.763 50 0 HJAARN Cc1sc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1ccc(F)cc1 ZINC000040129573 571180557 /nfs/dbraw/zinc/18/05/57/571180557.db2.gz SOCDNLBFBBRTES-UHFFFAOYSA-N 0 0 418.515 4.692 50 0 HJAARN CN(C)C(=O)c1ccc(NC(=O)CCCCc2ccc(Br)cc2)cc1 ZINC000040130078 571182065 /nfs/dbraw/zinc/18/20/65/571182065.db2.gz HWVPBYLCAXJMPM-UHFFFAOYSA-N 0 0 403.320 4.502 50 0 HJAARN CCCN1c2cc(NC(=O)Cc3ccc(Cl)cc3)ccc2OCC(C)(C)C1=O ZINC000008959648 571183065 /nfs/dbraw/zinc/18/30/65/571183065.db2.gz PQELCCLVWKMPHD-UHFFFAOYSA-N 0 0 400.906 4.683 50 0 HJAARN CC(C)CN1c2cc(NC(=O)c3ccc(Cl)cc3)ccc2OCC(C)(C)C1=O ZINC000008959737 571183345 /nfs/dbraw/zinc/18/33/45/571183345.db2.gz MXJXAIPISRGCNK-UHFFFAOYSA-N 0 0 400.906 5.000 50 0 HJAARN 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C[C@@H]1CCCC[C@@H]1NC(=O)CN1C(=O)/C(=C\c2ccccc2Cl)Oc2ccccc21 ZINC000004932560 132295811 /nfs/dbraw/zinc/29/58/11/132295811.db2.gz HBNPWTCVKLWLPB-OWLYXAJMSA-N 0 0 424.928 4.801 50 0 HJAARN C[C@@]12C[C@@H](NC(=O)N1c1ccc(C(=O)NC3CCCCC3)cc1)c1ccccc1O2 ZINC000004992458 132297822 /nfs/dbraw/zinc/29/78/22/132297822.db2.gz KYHPGPRWDRMSMN-HYBUGGRVSA-N 0 0 405.498 4.519 50 0 HJAARN CCc1ccc(N2C(=O)N(Cc3ccc(C)cc3)c3ccccc3S2(=O)=O)cc1 ZINC000005043432 132299496 /nfs/dbraw/zinc/29/94/96/132299496.db2.gz BFYRECDLVJJBRC-UHFFFAOYSA-N 0 0 406.507 4.893 50 0 HJAARN CCOc1ccccc1C(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2 ZINC000005136252 132302600 /nfs/dbraw/zinc/30/26/00/132302600.db2.gz CKRUXQMULOJURM-UHFFFAOYSA-N 0 0 406.507 4.992 50 0 HJAARN Cc1ccc(N2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)cc1C ZINC000005521779 132306628 /nfs/dbraw/zinc/30/66/28/132306628.db2.gz CPCKVVGSNJUAIH-UHFFFAOYSA-N 0 0 412.599 4.862 50 0 HJAARN Cc1nnc(SCC(=O)Nc2ccc(N3CCCCC3)cc2)n1-c1ccccc1C ZINC000005619736 132307185 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COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CC(=O)N2c2ccc(C)cc2)cc1 ZINC000006742765 132314406 /nfs/dbraw/zinc/31/44/06/132314406.db2.gz ZXUACWZLGSFRBF-RUZDIDTESA-N 0 0 403.478 4.700 50 0 HJAARN O=C(c1ccco1)N1CCN(c2nc(-c3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC000006774403 132315581 /nfs/dbraw/zinc/31/55/81/132315581.db2.gz GSBKKFFQUQXXDX-UHFFFAOYSA-N 0 0 418.884 4.506 50 0 HJAARN CC(=O)N1C[C@@H](C)Sc2ccc(S(=O)(=O)Nc3c(C)cccc3C(C)C)cc21 ZINC000006779468 132315614 /nfs/dbraw/zinc/31/56/14/132315614.db2.gz SZDLUALCWGTFPZ-OAHLLOKOSA-N 0 0 418.584 4.766 50 0 HJAARN Cc1c(C(=O)Nc2c(F)cccc2F)sc2ncnc(N3CCC(C)CC3)c12 ZINC000006948010 132321654 /nfs/dbraw/zinc/32/16/54/132321654.db2.gz TWGNTUAQXJFVPV-UHFFFAOYSA-N 0 0 402.470 4.767 50 0 HJAARN O=C(c1ccccc1)c1ccc(C(=O)N2CCN(c3ccccc3Cl)CC2)cc1 ZINC000006979955 132321794 /nfs/dbraw/zinc/32/17/94/132321794.db2.gz VPGFIKUCJXUZKV-UHFFFAOYSA-N 0 0 404.897 4.533 50 0 HJAARN C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000007902530 132326163 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COc1cccc(Nc2nc(N3CCC[C@H](C)C3)nc3c2cnn3-c2ccccc2)c1 ZINC000009573618 132341274 /nfs/dbraw/zinc/34/12/74/132341274.db2.gz KHBINRYRWKSEKN-KRWDZBQOSA-N 0 0 414.513 4.804 50 0 HJAARN O=c1c(Cl)c(N2CCC[C@@H](c3nc4ccccc4s3)C2)cnn1-c1ccccc1 ZINC000009727794 132343072 /nfs/dbraw/zinc/34/30/72/132343072.db2.gz RAOBUZRNUHAYND-OAHLLOKOSA-N 0 0 422.941 4.880 50 0 HJAARN CC1(C)C(=O)Nc2ccccc2N1C(=O)CSCc1ccc(C(F)(F)F)cc1 ZINC000009910485 132344093 /nfs/dbraw/zinc/34/40/93/132344093.db2.gz WRDKMBYULUIYFE-UHFFFAOYSA-N 0 0 408.445 4.703 50 0 HJAARN CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1cc(C)ccc1C ZINC000011119766 132347640 /nfs/dbraw/zinc/34/76/40/132347640.db2.gz NVVRVDDRBSSIMY-UHFFFAOYSA-N 0 0 420.534 4.680 50 0 HJAARN CCC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc21 ZINC000012180402 132355836 /nfs/dbraw/zinc/35/58/36/132355836.db2.gz ALLNJADQNFNQOJ-UHFFFAOYSA-N 0 0 420.534 4.844 50 0 HJAARN O=C([O-])[C@H](c1c2ccccc2[nH]c1-c1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000012324881 132358658 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O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCN(c2ccccc2F)CC1 ZINC000012607884 132365081 /nfs/dbraw/zinc/36/50/81/132365081.db2.gz YPRNEHMIBAXNNX-UHFFFAOYSA-N 0 0 401.894 4.565 50 0 HJAARN Cc1c2cc(Br)ccc2oc1C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000012874001 132368100 /nfs/dbraw/zinc/36/81/00/132368100.db2.gz CTRAUHQWIBTJTN-UHFFFAOYSA-N 0 0 413.271 4.881 50 0 HJAARN O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000014300772 132460258 /nfs/dbraw/zinc/46/02/58/132460258.db2.gz HTSBUZUPBYEPNC-UHFFFAOYSA-N 0 0 402.281 4.611 50 0 HJAARN O=C(c1cc(-c2ccccc2)nc2ccccc21)N1CCN(c2ccccc2O)CC1 ZINC000015924936 132463373 /nfs/dbraw/zinc/46/33/73/132463373.db2.gz IVKKRWHQCZYHHD-UHFFFAOYSA-N 0 0 409.489 4.570 50 0 HJAARN O=C(Nc1ccccc1F)c1cccc(NC(=O)N2CCSc3ncccc32)c1 ZINC000020939172 132471641 /nfs/dbraw/zinc/47/16/41/132471641.db2.gz HWDNXWFCJBAOOJ-UHFFFAOYSA-N 0 0 408.458 4.617 50 0 HJAARN CC[C@@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)C(C)C)CC2)n1)CC[C@H](C)C3 ZINC000035865445 132803094 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HJAARN CCCOc1c(Cl)cc(C(=O)NCc2ccc(NC(=O)OC)cc2)cc1OCC ZINC000032935166 520294647 /nfs/dbraw/zinc/29/46/47/520294647.db2.gz JNJJCDQBCZJKNC-UHFFFAOYSA-N 0 0 420.893 4.636 50 0 HJAARN CC1(C)CCCN(C(=O)c2csc(NC(=O)c3ccccc3C(F)(F)F)n2)C1 ZINC000040355948 520330088 /nfs/dbraw/zinc/33/00/88/520330088.db2.gz YVLYJUWLQCGGJW-UHFFFAOYSA-N 0 0 411.449 4.676 50 0 HJAARN CCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2ccc(CC)cc2)C1 ZINC000044803801 520496509 /nfs/dbraw/zinc/49/65/09/520496509.db2.gz OIMGVOLWUYNQFN-IBGZPJMESA-N 0 0 418.541 4.836 50 0 HJAARN CCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2ccc(C)cc2)C1 ZINC000044803773 520497827 /nfs/dbraw/zinc/49/78/27/520497827.db2.gz HVECKPSIDYYUHL-SFHVURJKSA-N 0 0 404.514 4.582 50 0 HJAARN CCO[P@]1(=O)C=C(C)N(Cc2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000239415403 520588057 /nfs/dbraw/zinc/58/80/57/520588057.db2.gz UJLPVJRJWSVRNS-NTKDMRAZSA-N 0 0 406.260 6.139 50 0 HJAARN CCC[C@@H](NC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000044334543 520754859 /nfs/dbraw/zinc/75/48/59/520754859.db2.gz DZBLNYYBCQNHBN-HSZRJFAPSA-N 0 0 407.535 4.932 50 0 HJAARN CCOc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)no2)cc1 ZINC000032623972 520822480 /nfs/dbraw/zinc/82/24/80/520822480.db2.gz FSIHAFCLOWMRLX-CQSZACIVSA-N 0 0 415.877 4.812 50 0 HJAARN CCCCOc1ccc(CNC(=O)CC2CCN(C(=O)C3CCCCC3)CC2)cc1 ZINC000032974415 520876618 /nfs/dbraw/zinc/87/66/18/520876618.db2.gz KGUDLWCEFFUONJ-UHFFFAOYSA-N 0 0 414.590 4.691 50 0 HJAARN CCOc1ccc(S(=O)(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000040454440 521204340 /nfs/dbraw/zinc/20/43/40/521204340.db2.gz GVZUEABCFMVNPQ-QFIPXVFZSA-N 0 0 420.534 4.677 50 0 HJAARN CCN(Cc1ccc(Br)s1)C(=O)c1cc(Cl)c2c(c1)OCCO2 ZINC000032721782 521296737 /nfs/dbraw/zinc/29/67/37/521296737.db2.gz RAZALFVRGRXVGY-UHFFFAOYSA-N 0 0 416.724 4.598 50 0 HJAARN CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000029479506 521322544 /nfs/dbraw/zinc/32/25/44/521322544.db2.gz YUPNGSHEPTYICV-UHFFFAOYSA-N 0 0 416.493 4.521 50 0 HJAARN CCOC(=O)c1ccc(/N=C2/S/C(=C\c3ccc(OCC)cc3)C(=O)N2CC)cc1 ZINC000001011499 521464182 /nfs/dbraw/zinc/46/41/82/521464182.db2.gz CODAEGVGPPXDIA-BRNMAAFJSA-N 0 0 424.522 4.886 50 0 HJAARN CCOC(=O)c1ccc(NC(=O)CCc2sc(C)nc2-c2cccs2)cc1 ZINC000019933189 521493169 /nfs/dbraw/zinc/49/31/69/521493169.db2.gz WJMXMVJIKDARIF-UHFFFAOYSA-N 0 0 400.525 4.928 50 0 HJAARN CCN1c2cccc(Cl)c2[C@]2(CC(=O)Nc3c2cnn3-c2ccc(C)c(C)c2)C1=O ZINC000032096966 521530694 /nfs/dbraw/zinc/53/06/94/521530694.db2.gz VZIJPTKNFMAEJQ-HSZRJFAPSA-N 0 0 420.900 4.787 50 0 HJAARN CCOc1ccccc1NC(=O)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000032975189 521536545 /nfs/dbraw/zinc/53/65/45/521536545.db2.gz DTEVEAPTENKRKA-UHFFFAOYSA-N 0 0 410.449 4.686 50 0 HJAARN CCOC(=O)c1nn(-c2ccccc2Cl)cc1C(=O)c1nc2ccccc2s1 ZINC000085388445 521601975 /nfs/dbraw/zinc/60/19/75/521601975.db2.gz MJXDKGNZXPRQSO-UHFFFAOYSA-N 0 0 411.870 4.543 50 0 HJAARN CCN1c2ccccc2/C(=C\c2nc3ccccc3c(=O)n2-c2cccc(C)c2)C1=O ZINC000032609525 521730920 /nfs/dbraw/zinc/73/09/20/521730920.db2.gz WIYZOTHFBDFBGQ-LTGZKZEYSA-N 0 0 407.473 4.601 50 0 HJAARN CCc1ccccc1NC(=O)Cn1c(CC)nc2c(sc3cccc(F)c32)c1=O ZINC000045943043 521882445 /nfs/dbraw/zinc/88/24/45/521882445.db2.gz MZVBUKMJRFPGBF-UHFFFAOYSA-N 0 0 409.486 4.514 50 0 HJAARN CN(C)c1ccc(CCCNC(=O)c2ccc(C3SCCCS3)cc2)cc1 ZINC000032818576 522159438 /nfs/dbraw/zinc/15/94/38/522159438.db2.gz YZDVQGLWAVQCJL-UHFFFAOYSA-N 0 0 400.613 4.984 50 0 HJAARN COc1cc(NC(=O)c2c3ccccc3nnc2-c2ccccc2)cc(OC)c1OC ZINC000032953021 522717704 /nfs/dbraw/zinc/71/77/04/522717704.db2.gz IBEKPQKJVRYPJS-UHFFFAOYSA-N 0 0 415.449 4.575 50 0 HJAARN COc1cc(NC(=O)c2cnc3ccccc3c2C(F)(F)F)cc(OC)c1OC ZINC000032901983 522731691 /nfs/dbraw/zinc/73/16/91/522731691.db2.gz GCKDFBNMBGVDAO-UHFFFAOYSA-N 0 0 406.360 4.532 50 0 HJAARN COc1cc(OC)c(Nc2nc3ccccc3nc2C(=O)OC(C)C)cc1Cl ZINC000045901392 522815904 /nfs/dbraw/zinc/81/59/04/522815904.db2.gz KQKKGQKSXIGONN-UHFFFAOYSA-N 0 0 401.850 4.609 50 0 HJAARN COc1cc(OC)cc(N(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036246172 522862589 /nfs/dbraw/zinc/86/25/89/522862589.db2.gz FMVWBQGSHXQBRK-UHFFFAOYSA-N 0 0 411.523 4.716 50 0 HJAARN COc1cc([C@H]2CC(=O)Nc3c2ncn3-c2ccccc2Cl)cc(OC)c1OC ZINC000040283165 522960672 /nfs/dbraw/zinc/96/06/72/522960672.db2.gz XUCZJZMWMGACJW-CYBMUJFWSA-N 0 0 413.861 4.675 50 0 HJAARN CCn1c(SCc2noc(-c3ccc(OC)cc3)n2)nnc1-c1ccccc1C ZINC000032754560 523241871 /nfs/dbraw/zinc/24/18/71/523241871.db2.gz KYIUXYQZBLESDA-UHFFFAOYSA-N 0 0 407.499 4.624 50 0 HJAARN COCc1nn2c(c1-c1ccccc1)NC(=O)C[C@@H]2C(=O)Nc1ccccc1Cl ZINC000044901316 523246550 /nfs/dbraw/zinc/24/65/50/523246550.db2.gz QBVNACJJJPZSLA-QGZVFWFLSA-N 0 0 410.861 4.521 50 0 HJAARN COCc1nn2c(ncc3c2ccn([C@H]2CCCC[C@H]2C)c3=O)c1-c1ccccc1 ZINC000040396420 523247562 /nfs/dbraw/zinc/24/75/62/523247562.db2.gz RNTKTLZNRUKPPH-UZLBHIALSA-N 0 0 402.498 4.609 50 0 HJAARN COc1ccc(-c2nn3c(c2C)NC(=O)C[C@H]3C(=O)Nc2cccc(Cl)c2)cc1 ZINC000032071259 523250401 /nfs/dbraw/zinc/25/04/01/523250401.db2.gz AGNJWKPJXPIAPZ-KRWDZBQOSA-N 0 0 410.861 4.692 50 0 HJAARN COc1ccc(-c2nnc(SC[C@H]3CCOC3)n2C2CCCCC2)cc1OC ZINC000042129611 523262666 /nfs/dbraw/zinc/26/26/66/523262666.db2.gz ZYNCENUJDRMFOY-HNNXBMFYSA-N 0 0 403.548 4.596 50 0 HJAARN COc1ccc(-c2noc(-c3ccc(NC(=O)c4ccccc4OC)cc3)n2)cc1 ZINC000032623924 523274459 /nfs/dbraw/zinc/27/44/59/523274459.db2.gz XAUKBLSUBBODAR-UHFFFAOYSA-N 0 0 401.422 4.673 50 0 HJAARN COc1ccc(-n2cnc3c2NC(=O)C[C@H]3c2ccc(OC(C)C)cc2)c(OC)c1 ZINC000040268752 523340409 /nfs/dbraw/zinc/34/04/09/523340409.db2.gz YSZMPCGGMIOTNL-SFHVURJKSA-N 0 0 407.470 4.800 50 0 HJAARN CCn1nnc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)n1 ZINC000032617146 523762111 /nfs/dbraw/zinc/76/21/11/523762111.db2.gz HLGUYPHQBMDSIF-UHFFFAOYSA-N 0 0 412.708 4.844 50 0 HJAARN CN(C(=O)CSc1nc2ccccc2n1Cc1cccc(F)c1)c1ccccc1 ZINC000033050353 523839797 /nfs/dbraw/zinc/83/97/97/523839797.db2.gz NRBZUFWVINPFOV-UHFFFAOYSA-N 0 0 405.498 4.979 50 0 HJAARN CN(C(=O)C[S@](=O)Cc1csc(-c2ccccc2Cl)n1)C1CCCCC1 ZINC000032801427 523848096 /nfs/dbraw/zinc/84/80/96/523848096.db2.gz CJSYLULNNGVAFY-SANMLTNESA-N 0 0 410.992 4.503 50 0 HJAARN COc1ccc(CC(=O)Nc2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)cc1 ZINC000032623250 523908997 /nfs/dbraw/zinc/90/89/97/523908997.db2.gz IASKCYQKNARAKY-UHFFFAOYSA-N 0 0 403.413 4.733 50 0 HJAARN COc1ccc(CCNc2cc(C)nc3c(C)c(-c4ccccc4)nn32)cc1OC ZINC000040216622 523978615 /nfs/dbraw/zinc/97/86/15/523978615.db2.gz XVRDRMBWNPOYJU-UHFFFAOYSA-N 0 0 402.498 4.685 50 0 HJAARN Cc1ccc(C)c(NC(=O)N2CCC(n3c4ncccc4nc3C(F)(F)F)CC2)c1 ZINC000032949931 524144074 /nfs/dbraw/zinc/14/40/74/524144074.db2.gz CWYKOAKEHIEMTI-UHFFFAOYSA-N 0 0 417.435 4.936 50 0 HJAARN COc1cccc2c1ccn2CCC(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000072324439 524253165 /nfs/dbraw/zinc/25/31/65/524253165.db2.gz NWWJNUGLALVMQS-UHFFFAOYSA-N 0 0 407.901 4.760 50 0 biogenic HJAARN Cc1cc(C)c(NC(=O)Cn2cnc3c(sc4cccc(Cl)c43)c2=O)c(C)c1 ZINC000045942918 524292876 /nfs/dbraw/zinc/29/28/76/524292876.db2.gz ROCFXGMBSGWKQR-UHFFFAOYSA-N 0 0 411.914 4.829 50 0 HJAARN COc1ccc(NC(=O)Nc2c(-c3ccc(C)cc3)nc3ccccn32)c(OC)c1 ZINC000033312675 524577790 /nfs/dbraw/zinc/57/77/90/524577790.db2.gz MKJIYEXCXJPNJM-UHFFFAOYSA-N 0 0 402.454 4.971 50 0 HJAARN COc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)cc1Cl ZINC000020578960 524624640 /nfs/dbraw/zinc/62/46/40/524624640.db2.gz PQBNAFPQAFTKRQ-UHFFFAOYSA-N 0 0 406.873 4.952 50 0 HJAARN COc1ccccc1[C@@H](C)NC(=O)/C=C/c1ccccc1OCc1csc(C)n1 ZINC000011515885 524714941 /nfs/dbraw/zinc/71/49/41/524714941.db2.gz BNTOYMWNFMSFDO-CJTWTEFWSA-N 0 0 408.523 4.930 50 0 HJAARN COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2CCC(=O)NC2CCCC2)c1 ZINC000032974975 524796771 /nfs/dbraw/zinc/79/67/71/524796771.db2.gz XCUFWOOTISOYPZ-UHFFFAOYSA-N 0 0 419.525 4.548 50 0 HJAARN COc1ccc(OC)c(NC(=O)NCCn2c3ccccc3nc2-c2ccccc2)c1 ZINC000032951328 524859749 /nfs/dbraw/zinc/85/97/49/524859749.db2.gz SIYNLCJCCDLLRN-UHFFFAOYSA-N 0 0 416.481 4.542 50 0 HJAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000032883903 525115306 /nfs/dbraw/zinc/11/53/06/525115306.db2.gz IVLUCINKWJYCPY-UHFFFAOYSA-N 0 0 400.548 4.679 50 0 HJAARN C[C@H](NC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1cccc(C(F)(F)F)c1 ZINC000072427649 525193552 /nfs/dbraw/zinc/19/35/52/525193552.db2.gz MXZCCGXANBRYJT-LBPRGKRZSA-N 0 0 418.371 4.623 50 0 HJAARN CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)c1 ZINC000032904615 525224869 /nfs/dbraw/zinc/22/48/69/525224869.db2.gz YPQWEICZJLLEMR-UHFFFAOYSA-N 0 0 406.463 4.724 50 0 HJAARN Cc1ccccc1NC(=O)N1CCC(n2c3ncccc3nc2C(F)(F)F)CC1 ZINC000032949945 525249652 /nfs/dbraw/zinc/24/96/52/525249652.db2.gz QUENFTLAFBRUQX-UHFFFAOYSA-N 0 0 403.408 4.628 50 0 HJAARN Cc1cc(O[C@H](C)C(=O)Nc2nonc2-c2ccc3c(c2)CCCC3)ccc1Cl ZINC000032594070 525382203 /nfs/dbraw/zinc/38/22/03/525382203.db2.gz VYSNQIGEZBZYPA-CQSZACIVSA-N 0 0 411.889 4.983 50 0 HJAARN COc1ccc([C@H]2CCCN2C(=O)Cc2csc(-c3ccccc3)n2)cc1OC ZINC000032895135 525410354 /nfs/dbraw/zinc/41/03/54/525410354.db2.gz KSFOGOHOUCZKIO-LJQANCHMSA-N 0 0 408.523 4.734 50 0 HJAARN Cc1c(=O)c2cccc(C(=O)N3CCN(CCC(C)C)CC3)c2oc1-c1ccccc1 ZINC000032933134 525522631 /nfs/dbraw/zinc/52/26/31/525522631.db2.gz PGOVVUPVNQBQBQ-UHFFFAOYSA-N 0 0 418.537 4.572 50 0 HJAARN C[C@@H](NS(=O)(=O)c1ccccc1Br)c1ccc(C(F)(F)F)cc1 ZINC000028328406 525581131 /nfs/dbraw/zinc/58/11/31/525581131.db2.gz KQCZQZYIKZGDBX-SNVBAGLBSA-N 0 0 408.239 4.507 50 0 HJAARN COc1ccc2cc([C@@H](C)C(=O)N[C@H](c3nccn3C)c3ccc(F)cc3)ccc2c1 ZINC000032830705 525635317 /nfs/dbraw/zinc/63/53/17/525635317.db2.gz FBUADDGIKLEDFL-MWTRTKDXSA-N 0 0 417.484 4.730 50 0 HJAARN Cc1cc2oc(=O)cc(CN3CCN(Cc4ccc(Cl)cc4)CC3)c2cc1Cl ZINC000032665054 525690238 /nfs/dbraw/zinc/69/02/38/525690238.db2.gz ASNLCGYYZWMREI-UHFFFAOYSA-N 0 0 417.336 4.726 50 0 HJAARN Cc1ccc(-c2csc(NC(=O)[C@H]3CCCN(C(=O)c4cccs4)C3)n2)cc1 ZINC000032759892 525782738 /nfs/dbraw/zinc/78/27/38/525782738.db2.gz RTCNNWYACAGGBN-INIZCTEOSA-N 0 0 411.552 4.671 50 0 HJAARN COc1cccc(C(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc3nccnc3c2)c1 ZINC000012422072 525810817 /nfs/dbraw/zinc/81/08/17/525810817.db2.gz GLDAGKLNVWNCLM-XMMPIXPASA-N 0 0 408.461 4.630 50 0 HJAARN Cc1ccc(-c2noc(-c3ccccc3NC(=O)COc3ccccc3Cl)n2)cn1 ZINC000040268088 525871650 /nfs/dbraw/zinc/87/16/50/525871650.db2.gz PFMSBTKQBFLQPP-UHFFFAOYSA-N 0 0 420.856 4.778 50 0 HJAARN Cc1ccc(-c2noc(COc3ccccc3C(=O)NCc3cccc(C)c3)n2)cc1 ZINC000032579111 525879482 /nfs/dbraw/zinc/87/94/82/525879482.db2.gz IQHXKFGCOGJCQX-UHFFFAOYSA-N 0 0 413.477 4.862 50 0 HJAARN Cc1ccc(-c2noc([C@H](C)N3CCN(c4nc5ccccc5s4)CC3)n2)cc1 ZINC000032824994 525885900 /nfs/dbraw/zinc/88/59/00/525885900.db2.gz KYTIWXUDGJNXME-INIZCTEOSA-N 0 0 405.527 4.538 50 0 HJAARN Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)/C=C/c2cccs2)C3)cc1 ZINC000056911327 525930690 /nfs/dbraw/zinc/93/06/90/525930690.db2.gz BCRHKVVOCDQKGU-ZHACJKMWSA-N 0 0 400.507 4.589 50 0 HJAARN C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000008230566 526001484 /nfs/dbraw/zinc/00/14/84/526001484.db2.gz DZVBWVGVISLWPC-HRAATJIYSA-N 0 0 418.566 4.819 50 0 HJAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000032779665 526032921 /nfs/dbraw/zinc/03/29/21/526032921.db2.gz WSGNAKNRIAPVPW-SFHVURJKSA-N 0 0 419.525 4.962 50 0 HJAARN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000040104763 526041511 /nfs/dbraw/zinc/04/15/11/526041511.db2.gz DQAQZXBSOGSVFS-IFXJQAMLSA-N 0 0 401.894 4.682 50 0 HJAARN Cc1cc(-c2csc(C)n2)c(C)n1CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000032901956 526047484 /nfs/dbraw/zinc/04/74/84/526047484.db2.gz BYMUGDGEHSSATJ-UHFFFAOYSA-N 0 0 400.504 4.924 50 0 HJAARN COc1cccc(NC(=O)C[C@@H](c2ccc(C)cc2)N2Cc3ccccc3C2=O)c1 ZINC000020561774 526180053 /nfs/dbraw/zinc/18/00/53/526180053.db2.gz JQJUEQNNYJMRQM-QHCPKHFHSA-N 0 0 400.478 4.730 50 0 HJAARN COc1cccc(NC(=O)N2CCC3(CC2)N=C(SC)C(c2ccc(C)cc2)=N3)c1 ZINC000020578195 526186785 /nfs/dbraw/zinc/18/67/85/526186785.db2.gz NBLHTFDYMFRXSA-UHFFFAOYSA-N 0 0 422.554 4.592 50 0 HJAARN Cc1csc(=O)n1CCC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1 ZINC000032858030 526310045 /nfs/dbraw/zinc/31/00/45/526310045.db2.gz TZJDFZQGBAGYEI-UHFFFAOYSA-N 0 0 401.557 4.668 50 0 HJAARN Cc1csc2nc(CSc3ccccc3NC(=O)c3ccccc3C)cc(=O)n12 ZINC000020583065 526457181 /nfs/dbraw/zinc/45/71/81/526457181.db2.gz MUTWBJQSFDMAKD-UHFFFAOYSA-N 0 0 421.547 4.917 50 0 HJAARN O=C(CCN1C(=O)CSc2ccccc21)N[C@@H](c1cccs1)C1CCCC1 ZINC000032396998 526479841 /nfs/dbraw/zinc/47/98/41/526479841.db2.gz MOWWBXOHPDTPTJ-OAQYLSRUSA-N 0 0 400.569 4.625 50 0 HJAARN O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc21)c1cc(=O)[nH]c2ccccc21 ZINC000032960812 526494637 /nfs/dbraw/zinc/49/46/37/526494637.db2.gz OVFVJNJTWXCIGC-LJQANCHMSA-N 0 0 413.502 4.633 50 0 HJAARN O=C([C@H](Cc1ccccc1)N1Cc2ccccc2C1=O)N1CC=C(c2ccccc2)CC1 ZINC000020531208 526519716 /nfs/dbraw/zinc/51/97/16/526519716.db2.gz CYCLXWORNDPFCR-SANMLTNESA-N 0 0 422.528 4.570 50 0 HJAARN O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000032836607 526578041 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COc1cc(NCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc(OC)c1 ZINC000009972230 557852906 /nfs/dbraw/zinc/85/29/06/557852906.db2.gz GKMBKXHMCDVWJW-UHFFFAOYSA-N 0 0 424.884 4.639 50 0 HJAARN Cc1c2ccc(C)cc2oc1C(=O)N1CCC[C@@](CO)(Cc2ccc(F)cc2F)C1 ZINC000011662578 558266499 /nfs/dbraw/zinc/26/64/99/558266499.db2.gz VEWBUZDLJNIPOU-XMMPIXPASA-N 0 0 413.464 4.785 50 0 HJAARN CC(C)n1cc(CN2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)cn1 ZINC000011665207 558268689 /nfs/dbraw/zinc/26/86/89/558268689.db2.gz YTDUNEMLLWNCLY-QFIPXVFZSA-N 0 0 419.529 4.645 50 0 HJAARN C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1ccc(Br)cc1 ZINC000011667293 558269354 /nfs/dbraw/zinc/26/93/54/558269354.db2.gz SDHYOZLVKIHSPE-AWEZNQCLSA-N 0 0 424.298 4.931 50 0 HJAARN CC(C)c1ccc(CN2CCN([C@H](C)c3nnc(-c4ccc(F)cc4)o3)CC2)cc1 ZINC000022925532 558271838 /nfs/dbraw/zinc/27/18/38/558271838.db2.gz QRDJYNYWSOQQCV-GOSISDBHSA-N 0 0 408.521 4.878 50 0 HJAARN COc1ccccc1C(=O)[C@@H]1CCCN(C(=O)c2csc(-c3cccs3)n2)C1 ZINC000011719488 558272032 /nfs/dbraw/zinc/27/20/32/558272032.db2.gz HWFWCNQCOAJPNR-CQSZACIVSA-N 0 0 412.536 4.615 50 0 HJAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)NCc2ccccc2)CC1 ZINC000011769477 558274273 /nfs/dbraw/zinc/27/42/73/558274273.db2.gz ZVHMQDPTDGBTQX-UHFFFAOYSA-N 0 0 408.542 4.564 50 0 HJAARN COc1cc(-c2nc(CN(C)Cc3cccc(-n4cccn4)c3)c(C)o2)ccc1F ZINC000011813508 558278220 /nfs/dbraw/zinc/27/82/20/558278220.db2.gz VYGFRZAQTJSOOT-UHFFFAOYSA-N 0 0 406.461 4.615 50 0 HJAARN O=C(Nc1ccc2c(c1)CN(C(=O)[C@@H]1CC=CCC1)CC2)C1(c2ccccc2)CC1 ZINC000011814588 558278848 /nfs/dbraw/zinc/27/88/48/558278848.db2.gz ZHJPRNJYANAMDB-HXUWFJFHSA-N 0 0 400.522 4.598 50 0 HJAARN O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1 ZINC000019791402 558282638 /nfs/dbraw/zinc/28/26/38/558282638.db2.gz JLDSCBGMMWJKRU-DEOSSOPVSA-N 0 0 402.563 4.864 50 0 HJAARN CCOC(=O)C1(Cc2ccccc2)CCN(Cc2nccn2-c2cccc(C)c2)CC1 ZINC000011819749 558282990 /nfs/dbraw/zinc/28/29/90/558282990.db2.gz WCQJLBZQZALIAZ-UHFFFAOYSA-N 0 0 417.553 4.569 50 0 HJAARN O=C(COc1ccc(Cl)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019792303 558283078 /nfs/dbraw/zinc/28/30/78/558283078.db2.gz IDRFFYLDLNMDPM-UHFFFAOYSA-N 0 0 420.940 4.653 50 0 HJAARN COc1cccc(-c2nc(CN(C)Cc3nc4ccccc4s3)c(C)o2)c1OC ZINC000019794938 558284281 /nfs/dbraw/zinc/28/42/81/558284281.db2.gz NYHPSNWRXIUYTJ-UHFFFAOYSA-N 0 0 409.511 4.909 50 0 HJAARN Cc1cccnc1-c1cccc2c1O[C@H](CNC(=O)C1(c3ccc(Cl)cc3)CC1)C2 ZINC000011838653 558285454 /nfs/dbraw/zinc/28/54/54/558285454.db2.gz JUJCOPCFXDDNDH-FQEVSTJZSA-N 0 0 418.924 4.862 50 0 HJAARN CCc1ccc(NC(=O)C[C@@H]2C(=O)N(C3CCCCC3)c3nc4ccccc4n32)cc1 ZINC000019817403 558287606 /nfs/dbraw/zinc/28/76/06/558287606.db2.gz PSNBLJDFFRTLKJ-JOCHJYFZSA-N 0 0 416.525 4.848 50 0 HJAARN CCOc1cccc(-c2nn3c(nnc3-c3cc(-c4ccc(Cl)cc4)n[nH]3)s2)c1 ZINC000019827421 558291162 /nfs/dbraw/zinc/29/11/62/558291162.db2.gz HVGJUOBWTWWZLY-UHFFFAOYSA-N 0 0 422.901 4.962 50 0 HJAARN COc1cccc(-c2nc(CN(C)[C@H](C)c3ccc4c(c3)OCCO4)c(C)o2)c1OC ZINC000019839174 558293361 /nfs/dbraw/zinc/29/33/61/558293361.db2.gz MMORXGKOSILCDL-OAHLLOKOSA-N 0 0 424.497 4.631 50 0 HJAARN O=C(CC(F)(F)F)N1CCC[C@@H](C(=O)Nc2ccc(-c3cccc(F)c3)cc2)C1 ZINC000011932965 558297887 /nfs/dbraw/zinc/29/78/87/558297887.db2.gz KSAVNQAYJYSMDE-MRXNPFEDSA-N 0 0 408.395 4.622 50 0 HJAARN O=C(c1n[nH]c2ccccc21)N1CCC[C@H](C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000011935193 558299094 /nfs/dbraw/zinc/29/90/94/558299094.db2.gz UKIUGZXHUOEMLB-SFHVURJKSA-N 0 0 409.489 4.550 50 0 HJAARN Cc1cc2ccccc2n1CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019890448 558303026 /nfs/dbraw/zinc/30/30/26/558303026.db2.gz LYRGRTOVWHHHQK-UHFFFAOYSA-N 0 0 423.560 4.884 50 0 HJAARN CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)Cc2cccs2)C3)c1 ZINC000012035259 558311523 /nfs/dbraw/zinc/31/15/23/558311523.db2.gz OTVIFSMGBYTUIU-SFHVURJKSA-N 0 0 423.509 4.728 50 0 HJAARN CCc1cc(C(=O)N2CCC[C@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)n(C)n1 ZINC000012057998 558316692 /nfs/dbraw/zinc/31/66/92/558316692.db2.gz AGNPSIZZBNANEY-IBGZPJMESA-N 0 0 417.509 4.510 50 0 HJAARN CCc1cc(C(=O)N2CCC[C@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)no1 ZINC000012075778 558319683 /nfs/dbraw/zinc/31/96/83/558319683.db2.gz MSWUINBKCVSHBL-SFHVURJKSA-N 0 0 404.466 4.764 50 0 HJAARN CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000012075716 558319685 /nfs/dbraw/zinc/31/96/85/558319685.db2.gz GFDNHTFUPRUDHH-UHFFFAOYSA-N 0 0 415.480 4.773 50 0 HJAARN C[C@@H](NC(=O)c1ccc2oc(-c3ccc(C(F)(F)F)cc3)nc2c1)c1cnn(C)c1 ZINC000012076511 558320183 /nfs/dbraw/zinc/32/01/83/558320183.db2.gz GCEHEWMHUDCTBF-GFCCVEGCSA-N 0 0 414.387 4.738 50 0 HJAARN O=C(NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1)[C@H](c1ccccc1)C1CCCC1 ZINC000012100073 558325902 /nfs/dbraw/zinc/32/59/02/558325902.db2.gz UUNQCTUJRISOTQ-JTHBVZDNSA-N 0 0 413.521 4.537 50 0 HJAARN O=C1Nc2ccccc2[C@]12Oc1ccccc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000012124608 558331041 /nfs/dbraw/zinc/33/10/41/558331041.db2.gz QBOVYOUGOKOQIY-REWPJTCUSA-N 0 0 401.853 4.689 50 0 HJAARN Cc1ccc(-n2ncc3c2CCC[C@@H]3NC(=O)Cc2cn(C)c3ccccc23)cc1C ZINC000012195198 558349010 /nfs/dbraw/zinc/34/90/10/558349010.db2.gz ITUHNDBUVIVRAM-QHCPKHFHSA-N 0 0 412.537 4.717 50 0 HJAARN Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1 ZINC000020367846 558358846 /nfs/dbraw/zinc/35/88/46/558358846.db2.gz QKHNXXIPAHOKPC-UHFFFAOYSA-N 0 0 423.563 4.555 50 0 HJAARN CCCc1cc(=O)oc2c1cc(Cl)c1c2CN(CCc2ccc(F)cc2)CO1 ZINC000020412244 558360864 /nfs/dbraw/zinc/36/08/64/558360864.db2.gz DHWAQPONCULMBT-UHFFFAOYSA-N 0 0 401.865 4.933 50 0 HJAARN Cc1cccc(OCC(=O)Nc2cc(C)c(I)c(C)c2)c1C ZINC000020417979 558361368 /nfs/dbraw/zinc/36/13/68/558361368.db2.gz IVWBFZQLNJTUKH-UHFFFAOYSA-N 0 0 409.267 4.542 50 0 HJAARN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2cnn(C(C)C)c2)CC1 ZINC000012299629 558369501 /nfs/dbraw/zinc/36/95/01/558369501.db2.gz RJPCLWLBKBWXLK-UHFFFAOYSA-N 0 0 403.954 4.505 50 0 HJAARN CC(C)c1ccc(N[C@H]2CCCN(C(=O)CCc3nc(-c4ccccc4)no3)C2)cc1 ZINC000012301259 558370872 /nfs/dbraw/zinc/37/08/72/558370872.db2.gz MCIBKFMXUMDYLX-QFIPXVFZSA-N 0 0 418.541 4.896 50 0 HJAARN COCc1ccc(CN2CCCC[C@H]2C(=O)Nc2ccc(Oc3cccnc3)cc2)o1 ZINC000012308950 558376948 /nfs/dbraw/zinc/37/69/48/558376948.db2.gz AGTUXJXFXZXUFK-QHCPKHFHSA-N 0 0 421.497 4.607 50 0 HJAARN O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000020508622 558381663 /nfs/dbraw/zinc/38/16/63/558381663.db2.gz ZRKGUUXPSBCMAB-WUZDHUPESA-N 0 0 401.337 4.864 50 0 HJAARN CC(C)Cc1cc(-c2nnc3sc(C(C)(C)Oc4ccc(Cl)cc4)nn32)[nH]n1 ZINC000012323674 558382874 /nfs/dbraw/zinc/38/28/74/558382874.db2.gz UPYKRZOOXOLJHY-UHFFFAOYSA-N 0 0 416.938 4.742 50 0 HJAARN O=C(NCc1ccccc1)N[C@H](c1nnc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000020522661 558383678 /nfs/dbraw/zinc/38/36/78/558383678.db2.gz UFXRROGBNQKYAV-FQEVSTJZSA-N 0 0 418.884 4.979 50 0 HJAARN c1ccc(-c2oc3ncnc(NCCCN4CCOCC4)c3c2-c2ccccc2)cc1 ZINC000020533307 558384654 /nfs/dbraw/zinc/38/46/54/558384654.db2.gz MOAYQPPWNLQINH-UHFFFAOYSA-N 0 0 414.509 4.691 50 0 HJAARN Cc1nn(-c2ccccc2)cc1[C@H]1C=C(c2ccc(Cl)cc2)N=C2SCC(=O)N21 ZINC000012340655 558386193 /nfs/dbraw/zinc/38/61/93/558386193.db2.gz GXNFWFZAHOYYEE-HXUWFJFHSA-N 0 0 420.925 4.861 50 0 HJAARN Cc1nn(Cc2ccccc2Cl)c2nc(-c3cnn(C)c3)cc(C(F)(F)F)c12 ZINC000020605264 558387301 /nfs/dbraw/zinc/38/73/01/558387301.db2.gz YSYIINMLWRDHJP-UHFFFAOYSA-N 0 0 405.811 4.861 50 0 HJAARN COC(=O)c1cc(-c2ccc(C)cc2)nc2c1c(=O)[nH]c(=S)n2-c1cccc(C)c1 ZINC000020605325 558387558 /nfs/dbraw/zinc/38/75/58/558387558.db2.gz YTBYSMDXXDKVTR-UHFFFAOYSA-N 0 0 417.490 4.514 50 0 HJAARN COCCCn1c2nc(-c3ccc(Cl)cc3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020605512 558387575 /nfs/dbraw/zinc/38/75/75/558387575.db2.gz VAEASKHZIGIESD-UHFFFAOYSA-N 0 0 411.861 4.749 50 0 HJAARN CCCCNC(=O)N1CCc2c3cc(OC)ccc3[nH]c2[C@H]1c1cccc(OC)c1 ZINC000020606180 558387996 /nfs/dbraw/zinc/38/79/96/558387996.db2.gz KZDFAIGIADUUJU-HSZRJFAPSA-N 0 0 407.514 4.642 50 0 HJAARN O=C(c1cc2c(s1)CCCC2)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000020606446 558388003 /nfs/dbraw/zinc/38/80/03/558388003.db2.gz YWOVVQQEJNTKHH-UHFFFAOYSA-N 0 0 409.382 4.892 50 0 HJAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cnn(Cc4ccccc4)c3)cc12 ZINC000020616109 558392763 /nfs/dbraw/zinc/39/27/63/558392763.db2.gz ZHROIAMSUAWUPU-UHFFFAOYSA-N 0 0 413.506 4.893 50 0 HJAARN C[C@H](C(=O)Nc1cccc(Cl)c1)n1ccc(C(=O)Nc2cccc(Cl)c2)n1 ZINC000020617553 558393872 /nfs/dbraw/zinc/39/38/72/558393872.db2.gz NKPRWPQDMQLIOI-GFCCVEGCSA-N 0 0 403.269 4.642 50 0 HJAARN COc1ccc(CCC(=O)N[C@H]2CCCc3c2cnn3-c2cccc(C)c2C)cc1 ZINC000012386280 558394981 /nfs/dbraw/zinc/39/49/81/558394981.db2.gz QFRNZWXKVKRYJA-QFIPXVFZSA-N 0 0 403.526 4.624 50 0 HJAARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000012406110 558398048 /nfs/dbraw/zinc/39/80/48/558398048.db2.gz NCZWEIRAKNCBTM-GOSISDBHSA-N 0 0 416.905 4.889 50 0 HJAARN COc1ccccc1CNC(=O)Cc1cnc(-c2c(Cl)cccc2Cl)s1 ZINC000012409412 558399923 /nfs/dbraw/zinc/39/99/23/558399923.db2.gz RQGWHSUBRHOBKM-UHFFFAOYSA-N 0 0 407.322 4.984 50 0 HJAARN O=C(c1cccs1)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2nccnc2c1 ZINC000012409485 558400102 /nfs/dbraw/zinc/40/01/02/558400102.db2.gz XXQKIUIWJLZBKS-HXUWFJFHSA-N 0 0 402.454 4.822 50 0 HJAARN COc1ccc(CN(C(=O)C2=C(c3ccccc3)SCCO2)c2ccccn2)cc1 ZINC000020729023 558405691 /nfs/dbraw/zinc/40/56/91/558405691.db2.gz HWXOVNMYVXIOLR-UHFFFAOYSA-N 0 0 418.518 4.756 50 0 HJAARN CC(C)CN1c2ccccc2[C@]2(CC(=O)Nc3c2cnn3-c2ccc(Cl)cc2)C1=O ZINC000020738433 558408300 /nfs/dbraw/zinc/40/83/00/558408300.db2.gz ZROHDZKTTQLGLQ-QHCPKHFHSA-N 0 0 420.900 4.806 50 0 HJAARN Cc1nn(-c2ncccn2)c2c1[C@@H](c1c(Cl)cccc1Cl)SCC(=O)N2 ZINC000020744818 558409460 /nfs/dbraw/zinc/40/94/60/558409460.db2.gz WKXYVPAHKIZWNA-HNNXBMFYSA-N 0 0 406.298 4.702 50 0 HJAARN CN(CC[C@@H]1CCCCO1)C(=O)c1csc2nc(-c3ccccc3Cl)cn12 ZINC000012438852 558410249 /nfs/dbraw/zinc/41/02/49/558410249.db2.gz FJCCQAJWDIMOJD-AWEZNQCLSA-N 0 0 403.935 4.747 50 0 HJAARN CCn1ccnc1CN1CCC[C@H](CCC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000012441559 558412012 /nfs/dbraw/zinc/41/20/12/558412012.db2.gz SLZNWFXGFVJSAX-MRXNPFEDSA-N 0 0 408.468 4.553 50 0 HJAARN COc1ccc(NC(=O)N2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000012443251 558413002 /nfs/dbraw/zinc/41/30/02/558413002.db2.gz OCUXPELBUFUTIJ-HNNXBMFYSA-N 0 0 406.404 4.841 50 0 HJAARN CN(CCC1CCOCC1)C(=O)c1csc2nc(-c3ccccc3Cl)cn12 ZINC000012446941 558414677 /nfs/dbraw/zinc/41/46/77/558414677.db2.gz XWJTZFCEXVJJAX-UHFFFAOYSA-N 0 0 403.935 4.605 50 0 HJAARN Cc1nc2ccccc2n1CCC(=O)N1CCC[C@@H](C(=O)c2ccc(Cl)cc2C)C1 ZINC000012448294 558415352 /nfs/dbraw/zinc/41/53/52/558415352.db2.gz ABCWZEIDHWTANE-GOSISDBHSA-N 0 0 423.944 4.818 50 0 HJAARN COc1ccc(OCC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000010692429 558418135 /nfs/dbraw/zinc/41/81/35/558418135.db2.gz OFMDGDNFSFVBTC-JOCHJYFZSA-N 0 0 400.478 4.504 50 0 HJAARN Cc1oc(-c2cccs2)nc1CN1CCC[C@H](C(=O)c2ccc3c(c2)OCO3)C1 ZINC000012465192 558420215 /nfs/dbraw/zinc/42/02/15/558420215.db2.gz CNGJYIPKRVIRMI-INIZCTEOSA-N 0 0 410.495 4.535 50 0 HJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccc2)N1Cc1cccnc1 ZINC000012528127 558425505 /nfs/dbraw/zinc/42/55/05/558425505.db2.gz DPUCKKOSHQHTHU-HXUWFJFHSA-N 0 0 402.837 4.587 50 0 HJAARN CCc1cc(CNCc2cn(-c3ccccc3F)nc2-c2ccc(OC)cc2)on1 ZINC000020994885 558426450 /nfs/dbraw/zinc/42/64/50/558426450.db2.gz BDSOYDMCQNUMNL-UHFFFAOYSA-N 0 0 406.461 4.527 50 0 HJAARN COc1ccc(-c2c(C)c3ccc(OC(=O)c4ccco4)cc3oc2=O)cc1OC ZINC000004340153 558426458 /nfs/dbraw/zinc/42/64/58/558426458.db2.gz FPPYWTWPAVYHDN-UHFFFAOYSA-N 0 0 406.390 4.598 50 0 HJAARN Cc1c(C(=O)N2CCC[C@@](CO)(Cc3ccccc3C)C2)[nH]c2c1c(C)ccc2C ZINC000012570774 558428735 /nfs/dbraw/zinc/42/87/35/558428735.db2.gz SRUBOHZQYNSGKR-AREMUKBSSA-N 0 0 404.554 4.859 50 0 HJAARN O=C(c1cn(C(c2ccccc2)c2ccccc2)nn1)N1CCC[C@H](c2ccccc2)C1 ZINC000012575878 558430599 /nfs/dbraw/zinc/43/05/99/558430599.db2.gz VNDIGANKMFMGOQ-DEOSSOPVSA-N 0 0 422.532 4.936 50 0 HJAARN O=C(CCc1nc2ccccc2s1)N[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000012587540 558434612 /nfs/dbraw/zinc/43/46/12/558434612.db2.gz WNTSTSIGYPLVND-HNNXBMFYSA-N 0 0 422.579 4.624 50 0 HJAARN 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O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1cccc(Cl)c1Cl ZINC000013062022 558509970 /nfs/dbraw/zinc/50/99/70/558509970.db2.gz IEUVEOWSGZXWKG-INIZCTEOSA-N 0 0 407.297 4.540 50 0 HJAARN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(Cc2cccs2)CC1 ZINC000022784260 558510602 /nfs/dbraw/zinc/51/06/02/558510602.db2.gz YWDIRYCUEZLZJX-LJQANCHMSA-N 0 0 405.567 4.560 50 0 HJAARN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)Cc1cccc2ccccc21 ZINC000013096322 558513165 /nfs/dbraw/zinc/51/31/65/558513165.db2.gz YPAMCABEDWRKLB-UHFFFAOYSA-N 0 0 419.912 4.711 50 0 HJAARN Cc1ccc(NC(=O)Cc2nc(COC(=O)c3ccc4ncsc4c3)cs2)cc1 ZINC000013109502 558515065 /nfs/dbraw/zinc/51/50/65/558515065.db2.gz RXDUZMLYNNKWOU-UHFFFAOYSA-N 0 0 423.519 4.599 50 0 HJAARN COc1ccc(SCC(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)cc1 ZINC000010869168 558515462 /nfs/dbraw/zinc/51/54/62/558515462.db2.gz DEQUEJINLXNXIR-INIZCTEOSA-N 0 0 414.552 4.609 50 0 HJAARN O=C(CSc1ccc(F)cc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000010867632 558515547 /nfs/dbraw/zinc/51/55/47/558515547.db2.gz 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COc1ccc(-c2cc(=O)oc3cc(OCC(=O)Nc4ccccc4F)ccc32)cc1 ZINC000013572631 558542405 /nfs/dbraw/zinc/54/24/05/558542405.db2.gz WRAQQTOLJLSYMB-UHFFFAOYSA-N 0 0 419.408 4.625 50 0 HJAARN O=C(Nc1nc(-c2ccc(Cl)s2)cs1)C1=NN(c2ccccc2)C(=O)CC1 ZINC000013592747 558546314 /nfs/dbraw/zinc/54/63/14/558546314.db2.gz AUKDBGZUSWAMSZ-UHFFFAOYSA-N 0 0 416.915 4.647 50 0 HJAARN C[C@]12C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]1ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000013595689 558547086 /nfs/dbraw/zinc/54/70/86/558547086.db2.gz JRYISFBJRDAFHH-ZFGGDYGUSA-N 0 0 418.880 4.781 50 0 HJAARN C[C@]12C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1ON(c1ccccc1)[C@@H]2c1ccccc1 ZINC000013618112 558549848 /nfs/dbraw/zinc/54/98/48/558549848.db2.gz JMURSCATIIKWMK-ZFGGDYGUSA-N 0 0 418.880 4.781 50 0 HJAARN COc1ccc(NC(=O)c2nc(SCc3ccccc3)ncc2Cl)c(OC)c1 ZINC000013626547 558551186 /nfs/dbraw/zinc/55/11/86/558551186.db2.gz KCBKBZCYZOGBPI-UHFFFAOYSA-N 0 0 415.902 4.692 50 0 HJAARN COc1ccc(-c2nc(C)c(C(=O)NCCc3ccc(Cl)cc3)s2)cc1OC ZINC000013627555 558551189 /nfs/dbraw/zinc/55/11/89/558551189.db2.gz GBZKMOJZTUOKCP-UHFFFAOYSA-N 0 0 416.930 4.762 50 0 HJAARN C[C@@H](c1ccccc1)N1CCn2c(nc3cc(C(=O)NC4CCCCC4)ccc32)C1 ZINC000023411559 558557817 /nfs/dbraw/zinc/55/78/17/558557817.db2.gz DUJFDWIASAFYOB-SFHVURJKSA-N 0 0 402.542 4.676 50 0 HJAARN Cc1cc(C)cc(C(=O)NCC(=O)OCc2csc(-c3ccccc3Cl)n2)c1 ZINC000023550886 558561696 /nfs/dbraw/zinc/56/16/96/558561696.db2.gz WIOSZIMRTSIFHM-UHFFFAOYSA-N 0 0 414.914 4.554 50 0 HJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)c1ccc(N(C)C)cc1 ZINC000023731977 558571686 /nfs/dbraw/zinc/57/16/86/558571686.db2.gz XUTPPJORPBMSNM-UHFFFAOYSA-N 0 0 410.949 4.540 50 0 HJAARN CC(C)Cc1cc(-c2nnc3sc(COc4cccc5ccccc54)nn32)n[nH]1 ZINC000013690339 558572284 /nfs/dbraw/zinc/57/22/84/558572284.db2.gz LKCBFGPOCWNSRF-UHFFFAOYSA-N 0 0 404.499 4.507 50 0 HJAARN CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CCN(C(=O)c2c(C)oc(C)c2C)CC1 ZINC000023879074 558579590 /nfs/dbraw/zinc/57/95/90/558579590.db2.gz SXCVBFRHMISCTO-NRFANRHFSA-N 0 0 415.505 4.933 50 0 HJAARN CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1cccs1 ZINC000013722586 558582719 /nfs/dbraw/zinc/58/27/19/558582719.db2.gz MVHTVAPZFUJRJT-UHFFFAOYSA-N 0 0 416.568 4.970 50 0 HJAARN Cc1sc2nc(C)nc(N3CCN(Cc4nc5ccccc5s4)CC3)c2c1C ZINC000023990184 558583843 /nfs/dbraw/zinc/58/38/43/558583843.db2.gz OHRDPUCNGLGTIK-UHFFFAOYSA-N 0 0 409.584 4.548 50 0 HJAARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000013725778 558584242 /nfs/dbraw/zinc/58/42/42/558584242.db2.gz IRHLANQBLGPXFO-UHFFFAOYSA-N 0 0 412.942 4.896 50 0 HJAARN COc1ccc(CCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1OC ZINC000024030903 558585103 /nfs/dbraw/zinc/58/51/03/558585103.db2.gz KNSNKQQJXSTCPS-UHFFFAOYSA-N 0 0 410.495 4.589 50 0 HJAARN O=C(COc1ccc2c(c1)occ(-c1ccccc1)c2=O)Nc1ccc2[nH]ccc2c1 ZINC000013729604 558585869 /nfs/dbraw/zinc/58/58/69/558585869.db2.gz CKZRNBZPOMRBQR-UHFFFAOYSA-N 0 0 410.429 4.959 50 0 biogenic HJAARN CCOc1ccccc1-n1nnnc1SCc1ncc(-c2cccc(Cl)c2)o1 ZINC000024047400 558586412 /nfs/dbraw/zinc/58/64/12/558586412.db2.gz HVUVPRDZPCKXIJ-UHFFFAOYSA-N 0 0 413.890 4.662 50 0 HJAARN COc1ccc(NC(=O)c2ccc3nc(-n4c(C)ccc4C)sc3c2)c(OC)c1 ZINC000013732314 558587140 /nfs/dbraw/zinc/58/71/40/558587140.db2.gz ZHRPZLJMMWYFNH-UHFFFAOYSA-N 0 0 407.495 4.973 50 0 HJAARN C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000013733848 558587715 /nfs/dbraw/zinc/58/77/15/558587715.db2.gz UBCZQAZIBQXKFT-INIZCTEOSA-N 0 0 407.514 4.554 50 0 HJAARN Fc1ccc(OCc2nnc(SCc3cc(Cl)c4c(c3)OCCCO4)o2)cc1 ZINC000024107702 558589437 /nfs/dbraw/zinc/58/94/37/558589437.db2.gz LSDXQMPIHZVEKE-UHFFFAOYSA-N 0 0 422.865 4.895 50 0 HJAARN COC(=O)c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccc(OC)c4)=NN32)cc1 ZINC000013758100 558590763 /nfs/dbraw/zinc/59/07/63/558590763.db2.gz JNSIPKVGNDUFPS-UPVQGACJSA-N 0 0 414.461 4.724 50 0 HJAARN COCCn1c(SCC(=O)c2cc(C)n(C3CC3)c2C)nnc1-c1cccc(C)c1 ZINC000004444716 558591842 /nfs/dbraw/zinc/59/18/42/558591842.db2.gz LIYIPOYVGKNIDR-UHFFFAOYSA-N 0 0 424.570 4.628 50 0 HJAARN O=C(Cc1cn2ccsc2n1)N[C@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000024277781 558594106 /nfs/dbraw/zinc/59/41/06/558594106.db2.gz YAYNMZBGKSZJSB-NRFANRHFSA-N 0 0 407.564 4.784 50 0 HJAARN CC(C)=C[C@@H]1[C@@H](C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1(C)C ZINC000024602155 558602395 /nfs/dbraw/zinc/60/23/95/558602395.db2.gz VFPGQEPIQSGMFQ-ZBFHGGJFSA-N 0 0 415.887 4.641 50 0 HJAARN O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(Cn2cccn2)cc1 ZINC000024731009 558609068 /nfs/dbraw/zinc/60/90/68/558609068.db2.gz YZXMSBDZWNWHJJ-DEOSSOPVSA-N 0 0 421.504 4.522 50 0 HJAARN CCOc1ccccc1NC(=O)N1CCC(c2nc(-c3cccc(C)c3)no2)CC1 ZINC000004490004 558610808 /nfs/dbraw/zinc/61/08/08/558610808.db2.gz YDWONJJGIPUETD-UHFFFAOYSA-N 0 0 406.486 4.855 50 0 HJAARN COc1ccc(-c2csc(NC(=O)c3cnc4c(cnn4C(C)C)c3)n2)cc1F ZINC000024841142 558616829 /nfs/dbraw/zinc/61/68/29/558616829.db2.gz AARBVFBWXORSHZ-UHFFFAOYSA-N 0 0 411.462 4.536 50 0 HJAARN O=C1Nc2ccccc2[C@@]12Nc1ccc(Cl)cc1C(=O)N2Cc1ccc(Cl)cc1 ZINC000014077515 558618121 /nfs/dbraw/zinc/61/81/21/558618121.db2.gz KUXJRDGOEIYQEY-QFIPXVFZSA-N 0 0 424.287 4.866 50 0 HJAARN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)Nc1ccccc1-c1cccs1 ZINC000024877557 558618680 /nfs/dbraw/zinc/61/86/80/558618680.db2.gz HUOBRXPFNHKAHW-UHFFFAOYSA-N 0 0 417.538 4.806 50 0 HJAARN C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1nc(N)nc(N(C)C)n1 ZINC000024891523 558619258 /nfs/dbraw/zinc/61/92/58/558619258.db2.gz ZBQOCVOGKONZDL-AWEZNQCLSA-N 0 0 418.526 4.695 50 0 HJAARN CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000032808546 558620628 /nfs/dbraw/zinc/62/06/28/558620628.db2.gz KWLOQPOEXQYWIN-UHFFFAOYSA-N 0 0 400.544 4.726 50 0 HJAARN COc1ccc(C)cc1NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1 ZINC000014111772 558620998 /nfs/dbraw/zinc/62/09/98/558620998.db2.gz QGTONGZLJZTYOK-NRFANRHFSA-N 0 0 422.912 4.637 50 0 HJAARN O=C(C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)Nc1ccc(Cl)cc1 ZINC000014113869 558621318 /nfs/dbraw/zinc/62/13/18/558621318.db2.gz QXLKSCMARUTIAL-MRXNPFEDSA-N 0 0 400.809 4.728 50 0 HJAARN COc1ccc(NC(=O)CCc2nnc(-c3ccsc3)o2)cc1OC1CCCC1 ZINC000024930812 558621412 /nfs/dbraw/zinc/62/14/12/558621412.db2.gz CCQNBUDQSDVCJU-UHFFFAOYSA-N 0 0 413.499 4.699 50 0 HJAARN Cc1cccc(OCCC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c1C ZINC000024934856 558621580 /nfs/dbraw/zinc/62/15/80/558621580.db2.gz MDKXXANSIQCONI-JOCHJYFZSA-N 0 0 403.526 4.511 50 0 HJAARN COc1ccc(Br)cc1CN(C)C(=O)c1ccc(COC(C)C)cc1 ZINC000014119347 558622158 /nfs/dbraw/zinc/62/21/58/558622158.db2.gz HKTPNRGHXTXFOP-UHFFFAOYSA-N 0 0 406.320 4.655 50 0 HJAARN CNC(=O)c1ccc(CN(C)[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 ZINC000014123312 558622724 /nfs/dbraw/zinc/62/27/24/558622724.db2.gz UOOCFSGKJUWBLX-XMMPIXPASA-N 0 0 411.505 4.584 50 0 HJAARN Cc1cccc(C)c1NC(=O)CNC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000014139550 558624747 /nfs/dbraw/zinc/62/47/47/558624747.db2.gz QFOAJDDHUWWHFV-UHFFFAOYSA-N 0 0 410.558 4.973 50 0 HJAARN COc1ccc2[nH]c(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)nc2c1 ZINC000014162143 558626415 /nfs/dbraw/zinc/62/64/15/558626415.db2.gz HPURYAFDDPXRCC-UHFFFAOYSA-N 0 0 415.824 4.975 50 0 HJAARN Cc1cc(-c2csc(CC(=O)Nc3ccc(C)cc3)n2)c(C)n1C[C@@H]1CCCO1 ZINC000014168242 558626977 /nfs/dbraw/zinc/62/69/77/558626977.db2.gz JPRQJCQDPAWBLE-IBGZPJMESA-N 0 0 409.555 4.897 50 0 HJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1 ZINC000014171366 558627423 /nfs/dbraw/zinc/62/74/23/558627423.db2.gz TYWDPXOGDAJMPP-UHFFFAOYSA-N 0 0 421.500 4.624 50 0 HJAARN COc1ccc(C(C)=O)cc1CC(=O)N[C@@H](c1ccccc1)c1ccc(C)c(C)c1 ZINC000025030032 558627512 /nfs/dbraw/zinc/62/75/12/558627512.db2.gz KXRUKTMSNUEYTI-SANMLTNESA-N 0 0 401.506 4.963 50 0 HJAARN CCn1c(=S)n(CN2CCC[C@H]2c2ccc(OC)cc2OC)nc1-c1ccco1 ZINC000014183183 558629126 /nfs/dbraw/zinc/62/91/26/558629126.db2.gz ADBNUKLGZSHQOI-KRWDZBQOSA-N 0 0 414.531 4.506 50 0 HJAARN O=C(c1ccc2c(c1)NC(=O)CCS2)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000014183869 558629395 /nfs/dbraw/zinc/62/93/95/558629395.db2.gz WAJBCBZSWXKHEV-OAHLLOKOSA-N 0 0 423.563 4.750 50 0 HJAARN CC[C@H](C)N(Cc1ccccc1)C(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O ZINC000025060155 558629753 /nfs/dbraw/zinc/62/97/53/558629753.db2.gz ZYAHZXZHIMGZQJ-INIZCTEOSA-N 0 0 409.917 4.635 50 0 HJAARN Cc1noc(-c2ccc(C(=O)N(Cc3cccc(Br)c3)C3CC3)cc2)n1 ZINC000025090763 558631387 /nfs/dbraw/zinc/63/13/87/558631387.db2.gz AFMNURLWILKJSH-UHFFFAOYSA-N 0 0 412.287 4.612 50 0 HJAARN COc1ccc([C@H]2CCCN2S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC ZINC000014187382 558631442 /nfs/dbraw/zinc/63/14/42/558631442.db2.gz FCXSGODDZKMRRM-OAHLLOKOSA-N 0 0 416.326 4.536 50 0 HJAARN O=C(Nc1ccc(-c2nccs2)cc1)C1(S(=O)(=O)c2ccccc2)CCCC1 ZINC000014196861 558633587 /nfs/dbraw/zinc/63/35/87/558633587.db2.gz VRVPVOWFEFXRNG-UHFFFAOYSA-N 0 0 412.536 4.535 50 0 HJAARN CC(C)(C)OC(=O)Nc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 ZINC000014198943 558634973 /nfs/dbraw/zinc/63/49/73/558634973.db2.gz QDMMADIAJGCNIO-LJQANCHMSA-N 0 0 413.518 4.584 50 0 HJAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000014200052 558635936 /nfs/dbraw/zinc/63/59/36/558635936.db2.gz LCTOKLOOSNAQKP-DLBZAZTESA-N 0 0 422.554 4.760 50 0 HJAARN COc1cc(C(C)=O)ccc1OCC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000014201002 558636548 /nfs/dbraw/zinc/63/65/48/558636548.db2.gz NMINSGQGCLCTLF-XMMPIXPASA-N 0 0 421.518 4.512 50 0 HJAARN CCn1c(S[C@H](C)C(=O)N[C@H]2CCCc3ccccc32)nnc1-c1cccs1 ZINC000004516563 558638973 /nfs/dbraw/zinc/63/89/73/558638973.db2.gz GJVRTXVGQLONOW-PBHICJAKSA-N 0 0 412.584 4.701 50 0 HJAARN Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)OCc3ncon3)cc12 ZINC000014229881 558639674 /nfs/dbraw/zinc/63/96/74/558639674.db2.gz WFSLCOIJGQHXOH-UHFFFAOYSA-N 0 0 423.281 4.501 50 0 HJAARN CS(=O)(=O)c1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c1 ZINC000004517893 558641109 /nfs/dbraw/zinc/64/11/09/558641109.db2.gz KWNYFDMFWFIFGZ-UHFFFAOYSA-N 0 0 408.504 4.619 50 0 HJAARN CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccc4ccccc43)cs2)cc1 ZINC000004518015 558641300 /nfs/dbraw/zinc/64/13/00/558641300.db2.gz PGHWXQFKHCZCPA-UHFFFAOYSA-N 0 0 408.504 4.619 50 0 HJAARN COc1cccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2cccc(C)c2C)c1 ZINC000004518127 558641438 /nfs/dbraw/zinc/64/14/38/558641438.db2.gz CFDNJTZAKZQRFO-UHFFFAOYSA-N 0 0 419.529 4.869 50 0 HJAARN COc1cccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccc(C)cc2)c1 ZINC000004518095 558641498 /nfs/dbraw/zinc/64/14/98/558641498.db2.gz LXJSGGCWEKCWAC-UHFFFAOYSA-N 0 0 405.502 4.560 50 0 HJAARN Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N(C)Cc4ccco4)cc3)ccc12 ZINC000014245901 558646799 /nfs/dbraw/zinc/64/67/99/558646799.db2.gz CSTABVCCTBGIOQ-UHFFFAOYSA-N 0 0 403.434 4.546 50 0 HJAARN COc1cccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)c1 ZINC000025783709 558650126 /nfs/dbraw/zinc/65/01/26/558650126.db2.gz RWQOEKGAOSICQI-RPBOFIJWSA-N 0 0 422.488 4.808 50 0 HJAARN Cc1cc2nc(C)c(CCC(=O)N(C)Cc3ccc(Cl)c(Cl)c3)c(C)n2n1 ZINC000025913647 558652112 /nfs/dbraw/zinc/65/21/12/558652112.db2.gz OEAZDYQIMZHCMC-UHFFFAOYSA-N 0 0 405.329 4.553 50 0 HJAARN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000026001889 558653436 /nfs/dbraw/zinc/65/34/36/558653436.db2.gz KNLVPCJRTAARNF-LJQANCHMSA-N 0 0 410.495 4.560 50 0 HJAARN CCCc1nc(CSc2nc3ccccc3c(=O)n2-c2ncccc2C)cs1 ZINC000026040743 558653977 /nfs/dbraw/zinc/65/39/77/558653977.db2.gz GPKZRJUGBIGXAA-UHFFFAOYSA-N 0 0 408.552 4.790 50 0 HJAARN O=C(Cc1noc2ccccc12)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000014504780 558655304 /nfs/dbraw/zinc/65/53/04/558655304.db2.gz BYTCFIFXAQGPJM-UHFFFAOYSA-N 0 0 422.488 4.599 50 0 HJAARN COC(=O)c1c(NC(C)=O)c2cc(N[C@H](C)CC(C)C)cnc2n1CCC(C)C ZINC000014541412 558660114 /nfs/dbraw/zinc/66/01/14/558660114.db2.gz KAXQBMQFXLSFIT-OAHLLOKOSA-N 0 0 402.539 4.674 50 0 HJAARN CC[C@@H](C)c1ccc([C@H](NC(=O)CCc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1 ZINC000026391005 558660208 /nfs/dbraw/zinc/66/02/08/558660208.db2.gz CKHUIVLMMMWKLF-MZNJEOGPSA-N 0 0 405.542 4.883 50 0 HJAARN Cc1cccc(NC(=O)CN2CCC[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)c1C ZINC000026456318 558661243 /nfs/dbraw/zinc/66/12/43/558661243.db2.gz VMOPJNZBIIGJPH-IBGZPJMESA-N 0 0 420.340 4.652 50 0 HJAARN Cc1cccc(NC(=O)CN2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2Cl)c1C ZINC000026456315 558661292 /nfs/dbraw/zinc/66/12/92/558661292.db2.gz VMOPJNZBIIGJPH-LJQANCHMSA-N 0 0 420.340 4.652 50 0 HJAARN O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)NCc1nnc2ccccn21 ZINC000026504278 558661883 /nfs/dbraw/zinc/66/18/83/558661883.db2.gz HDHDGBBPUGVHAR-QFIPXVFZSA-N 0 0 422.941 4.522 50 0 HJAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000004545282 558664546 /nfs/dbraw/zinc/66/45/46/558664546.db2.gz FLKDZLRIAAMCEA-UHFFFAOYSA-N 0 0 410.823 4.850 50 0 HJAARN O=C(/C=C/c1ccc(Br)o1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000027386253 558672963 /nfs/dbraw/zinc/67/29/63/558672963.db2.gz PSJLUKQURRJZRD-AORWBKJGSA-N 0 0 401.260 4.603 50 0 HJAARN O=C(N[C@H](C(=O)OCc1ccc(C(F)(F)F)cc1)c1ccccc1)c1ccco1 ZINC000027500561 558673743 /nfs/dbraw/zinc/67/37/43/558673743.db2.gz IIGJGPBIENXCSG-SFHVURJKSA-N 0 0 403.356 4.513 50 0 HJAARN COc1ccc(C[C@@]2(CCC(=O)NC3CCCCCC3)CCC(=O)N2)c2ccccc12 ZINC000014888454 558677806 /nfs/dbraw/zinc/67/78/06/558677806.db2.gz QDVSCSNANCZNCE-AREMUKBSSA-N 0 0 422.569 4.659 50 0 HJAARN COc1ccc(CC(=O)N(Cc2ccc(OC)cc2)[C@H](C)Cc2cccs2)cc1 ZINC000014903583 558678908 /nfs/dbraw/zinc/67/89/08/558678908.db2.gz MWQVNNZWZHCSOC-GOSISDBHSA-N 0 0 409.551 4.968 50 0 HJAARN COc1cc(C(=O)N(Cc2cccs2)c2ccc(F)cc2)cc(OC)c1OC ZINC000027664324 558679515 /nfs/dbraw/zinc/67/95/15/558679515.db2.gz FTBJCCSOGGEWPT-UHFFFAOYSA-N 0 0 401.459 4.760 50 0 HJAARN CCOc1ccc(-c2nonc2NC(=O)COc2ccc(C(C)(C)C)cc2)cc1C ZINC000027741130 558680765 /nfs/dbraw/zinc/68/07/65/558680765.db2.gz XZTZKKNNKKEOIT-UHFFFAOYSA-N 0 0 409.486 4.759 50 0 HJAARN Cc1ccc(OCC(=O)Nc2cc(-c3ccc(Br)cc3)no2)cc1C ZINC000027747403 558681419 /nfs/dbraw/zinc/68/14/19/558681419.db2.gz YBJWFNVVOASGGX-UHFFFAOYSA-N 0 0 401.260 4.738 50 0 HJAARN Cn1c(SCC2CCCCC2)nnc1[C@@H](Cc1ccccc1)NC(=O)C1CCC1 ZINC000014963882 558684901 /nfs/dbraw/zinc/68/49/01/558684901.db2.gz CDCQSGXNSUIEDH-HXUWFJFHSA-N 0 0 412.603 4.688 50 0 HJAARN COc1cc(CN2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)cc(Cl)c1O ZINC000014981218 558691620 /nfs/dbraw/zinc/69/16/20/558691620.db2.gz OVBISOLVANUAGL-GOSISDBHSA-N 0 0 417.933 4.936 50 0 HJAARN Cc1nonc1CN(C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000014981467 558692024 /nfs/dbraw/zinc/69/20/24/558692024.db2.gz LRDJMMNZZQVRQW-UHFFFAOYSA-N 0 0 413.481 4.668 50 0 HJAARN O=S(=O)(c1cccc2cccnc21)N(Cc1ccco1)Cc1ccc(Cl)cc1 ZINC000028248250 558693458 /nfs/dbraw/zinc/69/34/58/558693458.db2.gz WXLPMPZBVOWJNF-UHFFFAOYSA-N 0 0 412.898 4.872 50 0 HJAARN COc1cccc(-n2c(CN(C)C[C@@H]3CC=CCC3)nnc2SCC(C)C)c1 ZINC000014990159 558694052 /nfs/dbraw/zinc/69/40/52/558694052.db2.gz JNSWCLONXWMBDA-GOSISDBHSA-N 0 0 400.592 4.812 50 0 HJAARN COc1cccc(-n2c(CN(C)C[C@H]3CC=CCC3)nnc2SCC(C)C)c1 ZINC000014990157 558694137 /nfs/dbraw/zinc/69/41/37/558694137.db2.gz JNSWCLONXWMBDA-SFHVURJKSA-N 0 0 400.592 4.812 50 0 HJAARN CCCOc1ccc(-c2nsc(NC(=O)c3ccccc3Cl)n2)cc1OC ZINC000028287279 558694665 /nfs/dbraw/zinc/69/46/65/558694665.db2.gz ITCHJPOCNZDHET-UHFFFAOYSA-N 0 0 403.891 4.908 50 0 HJAARN CCc1ccc(OCC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000028288022 558695196 /nfs/dbraw/zinc/69/51/96/558695196.db2.gz ZFCFJNFIGXMVOP-UHFFFAOYSA-N 0 0 400.931 4.764 50 0 HJAARN Cc1cc(C)c2oc(C(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)cc(=O)c2c1 ZINC000028289015 558695825 /nfs/dbraw/zinc/69/58/25/558695825.db2.gz JKQUCPHEGWVBLH-HXUWFJFHSA-N 0 0 424.928 4.630 50 0 HJAARN O=C(CCCc1cccs1)NC[C@@H]1Cc2cc(Cl)cc(-c3ccncc3)c2O1 ZINC000014995493 558695981 /nfs/dbraw/zinc/69/59/81/558695981.db2.gz WCGLVGLBXZMQKN-SFHVURJKSA-N 0 0 412.942 4.906 50 0 HJAARN Cc1cc2oc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)cc(=O)c2cc1C ZINC000028289546 558696169 /nfs/dbraw/zinc/69/61/69/558696169.db2.gz XZVZODRHAJZTQU-FQEVSTJZSA-N 0 0 424.928 4.630 50 0 HJAARN CCCOc1ccccc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N1CCOCC1 ZINC000028292071 558697919 /nfs/dbraw/zinc/69/79/19/558697919.db2.gz ZERQPOPCOBHWPU-HSZRJFAPSA-N 0 0 424.585 4.576 50 0 HJAARN Cc1c(C(=O)N[C@@H](C)c2cccs2)sc2ncnc(NCc3ccccn3)c12 ZINC000015003591 558698556 /nfs/dbraw/zinc/69/85/56/558698556.db2.gz UXVDHAWAHLNGTN-ZDUSSCGKSA-N 0 0 409.540 4.559 50 0 HJAARN COc1ccccc1CCc1nc2ccccc2n1C1CCN(C(=O)C2CCC2)CC1 ZINC000015008838 558699747 /nfs/dbraw/zinc/69/97/47/558699747.db2.gz WGQHVMVXISOFPA-UHFFFAOYSA-N 0 0 417.553 4.794 50 0 HJAARN COc1cc(OC)c(OC)cc1/C=C1\SC(=O)N(c2ccccc2Cl)C1=O ZINC000015010975 558700292 /nfs/dbraw/zinc/70/02/92/558700292.db2.gz JNYZUGKFFWJABQ-MFOYZWKCSA-N 0 0 405.859 4.607 50 0 HJAARN CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1-c1cc2ccccc2o1 ZINC000015019310 558703095 /nfs/dbraw/zinc/70/30/95/558703095.db2.gz SRJCJEYXSPDJHJ-UHFFFAOYSA-N 0 0 410.474 4.890 50 0 HJAARN C[C@@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000028871608 558706101 /nfs/dbraw/zinc/70/61/01/558706101.db2.gz YFILWFWZZFVHDL-SNVBAGLBSA-N 0 0 400.784 4.569 50 0 HJAARN Cc1noc(C)c1C(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000015066410 558709353 /nfs/dbraw/zinc/70/93/53/558709353.db2.gz FRKSQBNRFDUTNV-LJQANCHMSA-N 0 0 421.472 4.588 50 0 HJAARN COc1cccc(-c2nc3ccc(C(=O)N(CC4CC4)C[C@H]4CCCO4)cc3o2)c1 ZINC000015078758 558717873 /nfs/dbraw/zinc/71/78/73/558717873.db2.gz AOSRBHKLWXHPQD-HXUWFJFHSA-N 0 0 406.482 4.535 50 0 HJAARN O=c1c2ccccc2nc(SCc2ccc(F)cc2Cl)n1Cc1cccnc1 ZINC000029619564 558717921 /nfs/dbraw/zinc/71/79/21/558717921.db2.gz PWLUGPCDKHQRPN-UHFFFAOYSA-N 0 0 411.889 4.925 50 0 HJAARN CCOc1ccc(CCC2CCN([C@@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)cc1 ZINC000011053745 558718913 /nfs/dbraw/zinc/71/89/13/558718913.db2.gz DNKSKQBKBNYHFA-SFHVURJKSA-N 0 0 405.542 4.728 50 0 HJAARN Cc1nn(C)c2nc(C)c(C(=O)NC[C@H](c3c[nH]c4ccccc43)c3ccccc3)cc12 ZINC000029785280 558721011 /nfs/dbraw/zinc/72/10/11/558721011.db2.gz OXUWQVLHQSSNJQ-QFIPXVFZSA-N 0 0 423.520 4.628 50 0 HJAARN Cc1nn(CC(C)C)c(Cl)c1C(=O)O[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000029795811 558721212 /nfs/dbraw/zinc/72/12/12/558721212.db2.gz MKDRHDUWTOZZQZ-MRXNPFEDSA-N 0 0 405.926 4.610 50 0 HJAARN CCOc1cc(C(=O)N(C)[C@H]2CCc3ccccc32)ccc1OCc1ccncc1 ZINC000029822363 558721789 /nfs/dbraw/zinc/72/17/89/558721789.db2.gz NHUSDAWGDMSDQB-QFIPXVFZSA-N 0 0 402.494 4.819 50 0 HJAARN COc1ccc(OC)c(CCC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)c1 ZINC000029840449 558722308 /nfs/dbraw/zinc/72/23/08/558722308.db2.gz HSGAMTASOFFVAR-XMMPIXPASA-N 0 0 401.506 4.811 50 0 HJAARN CC(C)COc1ccc(NC(=O)C2CCN(C(=O)c3ccsc3)CC2)cc1Cl ZINC000030187634 558727943 /nfs/dbraw/zinc/72/79/43/558727943.db2.gz FYLZQNQBPZYJRI-UHFFFAOYSA-N 0 0 420.962 4.927 50 0 HJAARN COc1cc(Cl)c(NC(=O)c2cccc(OCc3cscn3)c2)cc1OC ZINC000011069376 558731994 /nfs/dbraw/zinc/73/19/94/558731994.db2.gz SVBOORUOCKOPQX-UHFFFAOYSA-N 0 0 404.875 4.645 50 0 HJAARN Cc1c(CCNC(=O)c2cccc(F)c2)sc2nc(-c3ccc(Cl)cc3)nn12 ZINC000004570253 558735099 /nfs/dbraw/zinc/73/50/99/558735099.db2.gz DRUFGFBHAFLPMP-UHFFFAOYSA-N 0 0 414.893 4.531 50 0 HJAARN Cc1c(CCNC(=O)c2ccc(F)cc2)sc2nc(-c3ccc(Cl)cc3)nn12 ZINC000004570254 558735125 /nfs/dbraw/zinc/73/51/25/558735125.db2.gz JOJKVICNLBXGAV-UHFFFAOYSA-N 0 0 414.893 4.531 50 0 HJAARN C[C@H](c1ccccc1)N(C)C(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000015538123 558742725 /nfs/dbraw/zinc/74/27/25/558742725.db2.gz RIBVVAJJKYAGGH-LJQANCHMSA-N 0 0 400.522 4.912 50 0 HJAARN O=C(c1ccccc1SCc1cccs1)N1CCN(Cc2ccccc2)CC1 ZINC000015629466 558746806 /nfs/dbraw/zinc/74/68/06/558746806.db2.gz AXTGLHHRZPMTPP-UHFFFAOYSA-N 0 0 408.592 4.998 50 0 HJAARN COc1ccc(/C=C(/NC(=O)c2cccc(C)c2)C(=O)Nc2ccc(C)cc2)cc1 ZINC000015722776 558749882 /nfs/dbraw/zinc/74/98/82/558749882.db2.gz LMANATBEVKFWIN-XQNSMLJCSA-N 0 0 400.478 4.722 50 0 HJAARN Cc1c(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)sc2nc3n(c(=O)c12)CCC3 ZINC000015767105 558751914 /nfs/dbraw/zinc/75/19/14/558751914.db2.gz GXURRWWJDFISKD-JTQLQIEISA-N 0 0 422.337 4.510 50 0 HJAARN O=C(CSc1nccn2nc(-c3cccc4ccccc43)cc12)Nc1nccs1 ZINC000015778813 558752770 /nfs/dbraw/zinc/75/27/70/558752770.db2.gz CODARFMKSKHETL-UHFFFAOYSA-N 0 0 417.519 4.737 50 0 HJAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(C2SCCS2)cc1 ZINC000011083058 558754002 /nfs/dbraw/zinc/75/40/02/558754002.db2.gz OVVOKSAKQHXTBJ-UHFFFAOYSA-N 0 0 409.580 4.682 50 0 HJAARN CC(C)N(C(=O)Cn1c(CN2CCCCCC2)nc2ccccc21)c1ccccc1 ZINC000015831914 558755392 /nfs/dbraw/zinc/75/53/92/558755392.db2.gz WABBVXXWVSBLCZ-UHFFFAOYSA-N 0 0 404.558 4.854 50 0 HJAARN COc1ccc(-c2nc(CNC(=O)COc3ccc(C(C)(C)C)cc3)cs2)cc1 ZINC000015832734 558755607 /nfs/dbraw/zinc/75/56/07/558755607.db2.gz IPDVAZFETWRFHJ-UHFFFAOYSA-N 0 0 410.539 4.811 50 0 HJAARN COc1ccc(-c2nc(CNC(=O)c3ccccc3Br)cs2)cc1 ZINC000015832644 558755610 /nfs/dbraw/zinc/75/56/10/558755610.db2.gz AQQZTDFCIUUELP-UHFFFAOYSA-N 0 0 403.301 4.511 50 0 HJAARN CCS[C@H]1CC[C@@H](NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)C1 ZINC000072303482 558755905 /nfs/dbraw/zinc/75/59/05/558755905.db2.gz QGFNZSOHVYRCAT-MOPGFXCFSA-N 0 0 415.555 4.687 50 0 HJAARN CCS[C@@H]1CC[C@H](NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)C1 ZINC000072303479 558755987 /nfs/dbraw/zinc/75/59/87/558755987.db2.gz QGFNZSOHVYRCAT-RBUKOAKNSA-N 0 0 415.555 4.687 50 0 HJAARN CCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(N[C@@H](C)C(C)C)c2C)cc1C ZINC000072304065 558756734 /nfs/dbraw/zinc/75/67/34/558756734.db2.gz GODUUXYOHGDTFZ-KRWDZBQOSA-N 0 0 417.575 4.774 50 0 HJAARN Cc1ccc(C)c(OC[C@H](O)Cn2c(COc3ccccc3)nc3ccccc32)c1 ZINC000015860753 558758413 /nfs/dbraw/zinc/75/84/13/558758413.db2.gz IZWGILSQQNFYMB-HXUWFJFHSA-N 0 0 402.494 4.672 50 0 HJAARN CCCCSc1nnc2c(n1)O[C@H](c1cccs1)N(C(C)=O)c1ccccc1-2 ZINC000032997128 558758414 /nfs/dbraw/zinc/75/84/14/558758414.db2.gz UHNRPFHKBFOHGJ-LJQANCHMSA-N 0 0 412.540 4.936 50 0 HJAARN Cc1cccc(OCc2nc3ccccc3n2C[C@@H](O)COc2cccc(C)c2C)c1 ZINC000015860770 558758596 /nfs/dbraw/zinc/75/85/96/558758596.db2.gz VWSPGULONQHNJB-OAQYLSRUSA-N 0 0 416.521 4.980 50 0 HJAARN CC(=O)N1c2ccccc2-c2nnc(SCC(C)C)nc2O[C@@H]1c1ccc(F)cc1 ZINC000032997394 558758615 /nfs/dbraw/zinc/75/86/15/558758615.db2.gz SIWHPUUCFVRQEN-OAQYLSRUSA-N 0 0 424.501 4.870 50 0 HJAARN CCSc1nnc2c(n1)O[C@@H](c1ccccc1C)N(C(C)=O)c1ccc(F)cc1-2 ZINC000032997876 558759058 /nfs/dbraw/zinc/75/90/58/558759058.db2.gz ZKLLGVBSEIEIAF-FQEVSTJZSA-N 0 0 410.474 4.542 50 0 HJAARN COc1ccc(C(=O)Nc2cc(NC(=O)CSc3ccccc3)ccc2OC)cc1 ZINC000032998338 558759228 /nfs/dbraw/zinc/75/92/28/558759228.db2.gz MALQXBFUIYOBJO-UHFFFAOYSA-N 0 0 422.506 4.687 50 0 HJAARN COc1ccc(CCC(=O)Nc2ccc(OC)c(NC(=O)c3ccccc3C)c2)cc1 ZINC000032998362 558759325 /nfs/dbraw/zinc/75/93/25/558759325.db2.gz NEJXOECMRMIDEE-UHFFFAOYSA-N 0 0 418.493 4.836 50 0 HJAARN Cc1cc(F)ccc1NC(=O)c1ccc(-n2nnnc2SCc2ccccc2)cc1 ZINC000015869214 558759952 /nfs/dbraw/zinc/75/99/52/558759952.db2.gz CCCJGASATHOJTF-UHFFFAOYSA-N 0 0 419.485 4.654 50 0 HJAARN Cc1ccc(-c2cc3c(N4CCN(c5cccc(Cl)c5)CC4)nccn3n2)cc1C ZINC000033048716 558760365 /nfs/dbraw/zinc/76/03/65/558760365.db2.gz CMJWOXWAZRYROL-UHFFFAOYSA-N 0 0 417.944 4.993 50 0 HJAARN Cc1ccc(-c2cc3c(N4CCN(c5cccc(C)c5C)CC4)nccn3n2)cc1C ZINC000033048717 558760454 /nfs/dbraw/zinc/76/04/54/558760454.db2.gz GAEYLPKQFKQSLX-UHFFFAOYSA-N 0 0 411.553 4.957 50 0 HJAARN CC[C@H](C)NC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2)CC1 ZINC000033274544 558764098 /nfs/dbraw/zinc/76/40/98/558764098.db2.gz WNBOJTJPBSWTKU-KRWDZBQOSA-N 0 0 414.571 4.557 50 0 HJAARN CCOc1ccc(NC(=O)[C@@H]2CCCN(c3ncnc4c5ccccc5oc43)C2)cc1 ZINC000033290465 558765053 /nfs/dbraw/zinc/76/50/53/558765053.db2.gz GKOIPXKCPGJBSG-MRXNPFEDSA-N 0 0 416.481 4.630 50 0 HJAARN CCc1nnc2sc(-c3ccc(NC(=O)COc4ccc(C(C)C)cc4)cc3)nn12 ZINC000016162681 558775194 /nfs/dbraw/zinc/77/51/94/558775194.db2.gz MUUHSSRLGPPCQB-UHFFFAOYSA-N 0 0 421.526 4.556 50 0 HJAARN CCOC(=O)CSc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1 ZINC000001207815 558776035 /nfs/dbraw/zinc/77/60/35/558776035.db2.gz ILBTUFQBLKRXMB-UHFFFAOYSA-N 0 0 406.916 4.857 50 0 HJAARN O=C(NCc1cccs1)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000001517045 558776228 /nfs/dbraw/zinc/77/62/28/558776228.db2.gz WSWPGYQVMMXPLX-UHFFFAOYSA-N 0 0 420.391 4.546 50 0 HJAARN CN1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccc(Cl)c(Cl)c3)N2C1=S ZINC000022018279 558778911 /nfs/dbraw/zinc/77/89/11/558778911.db2.gz DJTCQNZYAWFGFQ-WMZOPIPTSA-N 0 0 416.333 4.548 50 0 HJAARN CN1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(Cl)c(Cl)c3)N2C1=S ZINC000022018275 558779028 /nfs/dbraw/zinc/77/90/28/558779028.db2.gz DJTCQNZYAWFGFQ-SJLPKXTDSA-N 0 0 416.333 4.548 50 0 HJAARN CSc1ccc(CN(C)[C@H](c2nnnn2-c2ccccc2C)c2ccccc2)cc1 ZINC000022077889 558779062 /nfs/dbraw/zinc/77/90/62/558779062.db2.gz MYCSWGXBNIJVEN-QHCPKHFHSA-N 0 0 415.566 4.914 50 0 HJAARN COc1ccc(-c2cc(-c3ccc(C)cc3)nc(-n3nc(C)cc3C)n2)cc1OC ZINC000005008487 558781298 /nfs/dbraw/zinc/78/12/98/558781298.db2.gz MWLUBLKZNOTLBC-UHFFFAOYSA-N 0 0 400.482 4.939 50 0 HJAARN CCc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-n2cccc2)cc1 ZINC000004586092 558781812 /nfs/dbraw/zinc/78/18/12/558781812.db2.gz GNEYIYMXWGMRQJ-UHFFFAOYSA-N 0 0 417.538 4.660 50 0 HJAARN CC[C@@H](Oc1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000023379201 558781898 /nfs/dbraw/zinc/78/18/98/558781898.db2.gz HMNAVMCMYZOWRJ-RUZDIDTESA-N 0 0 414.549 4.778 50 0 HJAARN Cc1cc(NC(=O)c2ccc(Br)o2)cc(-c2nc3ncccc3o2)c1O ZINC000016269605 558782918 /nfs/dbraw/zinc/78/29/18/558782918.db2.gz RIEFHLSUJRGEAV-UHFFFAOYSA-N 0 0 414.215 4.512 50 0 HJAARN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1cccc(OC(C)C)c1 ZINC000016284472 558783772 /nfs/dbraw/zinc/78/37/72/558783772.db2.gz MZLYCXJYPZTBSD-UHFFFAOYSA-N 0 0 404.445 4.908 50 0 HJAARN COc1cccc(-c2cc(C(=O)NC3CCCCC3)n3nc(C(C)(C)C)cc3n2)c1 ZINC000034833563 558784428 /nfs/dbraw/zinc/78/44/28/558784428.db2.gz BYTYBZMNJVADSZ-UHFFFAOYSA-N 0 0 406.530 4.765 50 0 HJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)c2cccc(C)c2)cc1 ZINC000016309838 558785114 /nfs/dbraw/zinc/78/51/14/558785114.db2.gz JNFBDFVLOUGVOM-UHFFFAOYSA-N 0 0 422.550 4.754 50 0 HJAARN Cc1ccc(-n2nnnc2-c2cnc(C3CC3)nc2-c2cccc(C(F)(F)F)c2)cc1 ZINC000016311575 558785543 /nfs/dbraw/zinc/78/55/43/558785543.db2.gz SDYNTNUMKPFPCF-UHFFFAOYSA-N 0 0 422.414 4.991 50 0 HJAARN O=C(c1cnn2c1nc(C1CC1)cc2C(F)F)N1CCC[C@@H]1c1cccc(F)c1 ZINC000035476364 558792415 /nfs/dbraw/zinc/79/24/15/558792415.db2.gz GKCOYYCXZSZFJI-QGZVFWFLSA-N 0 0 400.404 4.661 50 0 HJAARN CCc1ccc(N2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NC2CCCC2)cc1 ZINC000035482078 558792611 /nfs/dbraw/zinc/79/26/11/558792611.db2.gz CTOQVRYTEPGTEC-XMMPIXPASA-N 0 0 421.566 4.743 50 0 HJAARN Cc1ccc(C)c(N2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NC2CCCC2)c1 ZINC000035482085 558792682 /nfs/dbraw/zinc/79/26/82/558792682.db2.gz ODOZDJUGFSFLLJ-DEOSSOPVSA-N 0 0 421.566 4.798 50 0 HJAARN Cc1ccc(N2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NC2CCCC2)cc1C ZINC000035482089 558792696 /nfs/dbraw/zinc/79/26/96/558792696.db2.gz GYABZGLIWBSDOP-DEOSSOPVSA-N 0 0 421.566 4.798 50 0 HJAARN COc1ccc(OC)c(-c2cc(CN(Cc3ccccc3)C(=O)NC(C)(C)C)no2)c1 ZINC000036012677 558796653 /nfs/dbraw/zinc/79/66/53/558796653.db2.gz ZLHSXEFFRFXQTE-UHFFFAOYSA-N 0 0 423.513 4.869 50 0 HJAARN COc1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1OC ZINC000036246360 558798492 /nfs/dbraw/zinc/79/84/92/558798492.db2.gz PYABAFUOLZATJA-UHFFFAOYSA-N 0 0 417.914 4.753 50 0 HJAARN COc1ccc(N(Cc2cccc(F)c2)S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000036248219 558798618 /nfs/dbraw/zinc/79/86/18/558798618.db2.gz YOVXMHLVTNVZQZ-UHFFFAOYSA-N 0 0 403.450 4.677 50 0 HJAARN O=C1S/C(=C/c2ccc(I)cc2)C(=O)N1c1ccccc1 ZINC000016671497 558798684 /nfs/dbraw/zinc/79/86/84/558798684.db2.gz NJHLILLHKDPXRM-GXDHUFHOSA-N 0 0 407.232 4.532 50 0 HJAARN CCOc1ccccc1CN1C(=O)c2ccccc2CC[C@]1(C)C(=O)NCCC(C)C ZINC000032977889 558803517 /nfs/dbraw/zinc/80/35/17/558803517.db2.gz ORWPXGZHEFAPPP-AREMUKBSSA-N 0 0 422.569 4.595 50 0 HJAARN O=C(Nc1nc(-c2cccs2)cs1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000032981829 558803847 /nfs/dbraw/zinc/80/38/47/558803847.db2.gz FXGJKJLYYOWYED-UHFFFAOYSA-N 0 0 412.540 4.754 50 0 HJAARN Cc1cccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2Cl)O3)c1 ZINC000032983852 558804927 /nfs/dbraw/zinc/80/49/27/558804927.db2.gz XKJFEDHOTZXHKH-XKZIYDEJSA-N 0 0 418.880 4.950 50 0 HJAARN COP(=O)(OC)c1nc(Cc2ccc(Cl)cc2)oc1NCc1ccc(F)cc1 ZINC000016751441 558804934 /nfs/dbraw/zinc/80/49/34/558804934.db2.gz IHLBNYWURZUMJN-UHFFFAOYSA-N 0 0 424.796 4.781 50 0 HJAARN COc1ccc(NC(=O)COc2cc(-c3ccccc3)nc3ccccc32)c(OC)c1 ZINC000032985691 558805985 /nfs/dbraw/zinc/80/59/85/558805985.db2.gz DGIPUSAGWQEEIT-UHFFFAOYSA-N 0 0 414.461 4.937 50 0 HJAARN O=S1(=O)c2ccccc2N[C@H](c2ccc(F)cc2)N1CCc1ccc(Cl)cc1 ZINC000032986956 558806898 /nfs/dbraw/zinc/80/68/98/558806898.db2.gz LFKSAINJLOLRDY-NRFANRHFSA-N 0 0 416.905 4.837 50 0 HJAARN Cc1ccc(OCc2nc3ccccc3n2C[C@H](O)COc2ccc(C)cc2C)cc1 ZINC000016903148 558809044 /nfs/dbraw/zinc/80/90/44/558809044.db2.gz XQRXBODTTCVCJZ-NRFANRHFSA-N 0 0 416.521 4.980 50 0 HJAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4cc(F)ccc4F)nccn3n2)cc1 ZINC000017051549 558813058 /nfs/dbraw/zinc/81/30/58/558813058.db2.gz YRBAJFDMWNITQM-UHFFFAOYSA-N 0 0 410.449 4.714 50 0 HJAARN Cn1c(SCc2csc(-c3ccc4c(c3)OCO4)n2)nnc1C1CCCC1 ZINC000017082023 558813967 /nfs/dbraw/zinc/81/39/67/558813967.db2.gz GCFSQWJPUMIKNG-UHFFFAOYSA-N 0 0 400.529 4.617 50 0 HJAARN CCn1c(CCC2CCCCC2)nnc1SCC(=O)Nc1cccnc1Cl ZINC000017087819 558816620 /nfs/dbraw/zinc/81/66/20/558816620.db2.gz SACMMHBTLCEFJL-UHFFFAOYSA-N 0 0 407.971 4.590 50 0 HJAARN O=C(NCc1cccnc1)c1cc(-c2ccccc2)nc2ccc(Br)cc21 ZINC000017091334 558819851 /nfs/dbraw/zinc/81/98/51/558819851.db2.gz AFOXJPLVFZLKSA-UHFFFAOYSA-N 0 0 418.294 4.989 50 0 HJAARN Cn1c(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2ccccc21 ZINC000071804784 558819925 /nfs/dbraw/zinc/81/99/25/558819925.db2.gz GQLLCTBGVHSAJK-UHFFFAOYSA-N 0 0 401.310 4.541 50 0 HJAARN CNS(=O)(=O)c1cc(-c2nnc(Nc3ccccc3C)c3ccccc32)ccc1C ZINC000017122424 558823097 /nfs/dbraw/zinc/82/30/97/558823097.db2.gz BVNVWWFTFNHLEK-UHFFFAOYSA-N 0 0 418.522 4.565 50 0 HJAARN COc1ccc(-c2noc(CCCC(=O)Nc3ccc(C)c(Cl)c3)n2)cc1OC ZINC000033000121 558826676 /nfs/dbraw/zinc/82/66/76/558826676.db2.gz ZHWGUABSRBUKJL-UHFFFAOYSA-N 0 0 415.877 4.677 50 0 HJAARN COc1ccc(NC(=O)Cc2csc(-n3nc(C)c(CCC(C)C)c3C)n2)cc1 ZINC000033004624 558827166 /nfs/dbraw/zinc/82/71/66/558827166.db2.gz ODCLNXAXLZONEM-UHFFFAOYSA-N 0 0 412.559 4.724 50 0 HJAARN CCCCc1c(C)nn(-c2nc(CC(=O)Nc3ccc(OCC)cc3)cs2)c1C ZINC000033004533 558827207 /nfs/dbraw/zinc/82/72/07/558827207.db2.gz VBNVYNPNKRGHPH-UHFFFAOYSA-N 0 0 412.559 4.868 50 0 HJAARN Cc1c(C(=O)Nc2cccc(C(=O)N3CCCC3)c2C)cnn1-c1cccc(Cl)c1 ZINC000060303906 558829297 /nfs/dbraw/zinc/82/92/97/558829297.db2.gz YOVMECYUILTNNZ-UHFFFAOYSA-N 0 0 422.916 4.631 50 0 HJAARN Cc1ccc(SCc2cc(=O)[nH]c(Nc3nc(C)c4cc(C)ccc4n3)n2)cc1 ZINC000017994910 558829492 /nfs/dbraw/zinc/82/94/92/558829492.db2.gz IFYAVFYTUBXQOF-UHFFFAOYSA-N 0 0 403.511 4.674 50 0 HJAARN CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)cc1 ZINC000018087853 558830967 /nfs/dbraw/zinc/83/09/67/558830967.db2.gz IKDHOQVBERVWBP-SIQOOTDXSA-N 0 0 423.512 4.830 50 0 HJAARN CCOC(=O)C1CCN(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)CC1 ZINC000018136612 558831771 /nfs/dbraw/zinc/83/17/71/558831771.db2.gz AVCGHMCXAFCFJM-UHFFFAOYSA-N 0 0 410.901 4.628 50 0 HJAARN CCc1ccccc1NCN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000018148866 558832092 /nfs/dbraw/zinc/83/20/92/558832092.db2.gz MZCWECSQIUEZLB-XIGIHCPSSA-N 0 0 408.501 4.511 50 0 HJAARN O=C(CCc1nc2ccccc2[nH]1)Nc1cccc(CCc2nc3ccccc3[nH]2)c1 ZINC000033019625 558836188 /nfs/dbraw/zinc/83/61/88/558836188.db2.gz ZHXXUEHHBCHNDW-UHFFFAOYSA-N 0 0 409.493 4.796 50 0 HJAARN COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(C)cc1 ZINC000046006658 558838890 /nfs/dbraw/zinc/83/88/90/558838890.db2.gz OUEXFGXRFGGLGT-UHFFFAOYSA-N 0 0 414.509 4.926 50 0 HJAARN CC[C@H](C)NS(=O)(=O)c1cc(-c2nc(-c3cccc(Cl)c3)no2)sc1C ZINC000046141438 558840061 /nfs/dbraw/zinc/84/00/61/558840061.db2.gz DIKIPBWCWGHTQA-JTQLQIEISA-N 0 0 411.936 4.504 50 0 HJAARN COc1ccc(OC)c(NC=C2c3ccccc3C(=O)N(c3ccccc3C)C2=O)c1 ZINC000013539657 558842538 /nfs/dbraw/zinc/84/25/38/558842538.db2.gz ORGFWXYJZJAIEN-HMMYKYKNSA-N 0 0 414.461 4.652 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)NCCCn1c2ncccc2nc1C(F)(F)F ZINC000033025587 558846232 /nfs/dbraw/zinc/84/62/32/558846232.db2.gz KXPBRAZFUYOWED-UHFFFAOYSA-N 0 0 411.815 4.624 50 0 HJAARN Cc1ccn2c(=O)cc(CSc3ccccc3NC(=O)C3CCCCC3)nc2c1 ZINC000033025951 558847063 /nfs/dbraw/zinc/84/70/63/558847063.db2.gz GRNIPNQSNYKBDX-UHFFFAOYSA-N 0 0 407.539 4.814 50 0 HJAARN Cc1cccc(NC(=O)Nc2ccccc2SCc2cc(=O)n3ccccc3n2)c1 ZINC000033026613 558847598 /nfs/dbraw/zinc/84/75/98/558847598.db2.gz RZTFXGZFNSDGGY-UHFFFAOYSA-N 0 0 416.506 4.939 50 0 HJAARN COc1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccc(F)cc2)OC3=O)c(OC)c1 ZINC000033026912 558847976 /nfs/dbraw/zinc/84/79/76/558847976.db2.gz MOKOFXKYCSWQRH-OAQYLSRUSA-N 0 0 421.424 4.549 50 0 HJAARN CCc1c(C(=O)Nc2ccccc2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000033026801 558848038 /nfs/dbraw/zinc/84/80/38/558848038.db2.gz MRLKWYWXYLRKDX-UHFFFAOYSA-N 0 0 409.449 4.890 50 0 HJAARN CCCc1c(C(=O)NC2CCCC2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000033026852 558848226 /nfs/dbraw/zinc/84/82/26/558848226.db2.gz GYHPNYFYIJUPRO-UHFFFAOYSA-N 0 0 415.497 4.700 50 0 HJAARN COc1ccc(-c2coc3c(ccc4c3CN(c3ccc(C)cn3)CO4)c2=O)cc1 ZINC000013692396 558856222 /nfs/dbraw/zinc/85/62/22/558856222.db2.gz FHHMDLYFXHKBPA-UHFFFAOYSA-N 0 0 400.434 4.529 50 0 biogenic HJAARN Cc1ccc(C)n1-c1cccnc1N1CCC(C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000033034489 558858522 /nfs/dbraw/zinc/85/85/22/558858522.db2.gz OMRKJOWEZDNNNU-UHFFFAOYSA-N 0 0 402.542 4.961 50 0 HJAARN Cc1ccc(C)n1-c1cccnc1N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000033034460 558858559 /nfs/dbraw/zinc/85/85/59/558858559.db2.gz QSAPJUWHUGQDHN-UHFFFAOYSA-N 0 0 408.933 4.998 50 0 HJAARN CC(C)OC(=O)c1cc(NC(=S)NC(=O)c2cc3ccccc3o2)ccc1Cl ZINC000004615654 558860179 /nfs/dbraw/zinc/86/01/79/558860179.db2.gz MECIDTPBLVSRPW-UHFFFAOYSA-N 0 0 416.886 4.778 50 0 HJAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)/C=C\c2ccccc2Br)c1 ZINC000096879374 558862775 /nfs/dbraw/zinc/86/27/75/558862775.db2.gz NWMOUFQMFCSHER-UZRURVBFSA-N 0 0 416.315 4.843 50 0 HJAARN Cc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000068713051 558864362 /nfs/dbraw/zinc/86/43/62/558864362.db2.gz VSMPXYBCFSNKOQ-XMMPIXPASA-N 0 0 405.881 4.656 50 0 HJAARN O=C1N(Cc2cccc(Cl)c2)c2ccccc2[C@]1(O)[C@@H]1CCc2ccccc2C1=O ZINC000068713171 558864471 /nfs/dbraw/zinc/86/44/71/558864471.db2.gz WFAJNDAIPUCZRQ-BWKNWUBXSA-N 0 0 417.892 4.520 50 0 HJAARN C[C@H](NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12)c1cc2ccccc2o1 ZINC000019292901 558864656 /nfs/dbraw/zinc/86/46/56/558864656.db2.gz ADXSEDUHVIPRHF-JTQLQIEISA-N 0 0 421.309 4.752 50 0 HJAARN COc1ccc(CC(=O)N(CCc2ccccc2)Cc2ccc(C)s2)cc1OC ZINC000019296279 558865961 /nfs/dbraw/zinc/86/59/61/558865961.db2.gz WAXJKKJGHIHHAV-UHFFFAOYSA-N 0 0 409.551 4.888 50 0 HJAARN Cc1ccc(Cn2c(CCCC(=O)N3CCc4ccccc43)nc3cccnc32)cc1 ZINC000033072650 558867037 /nfs/dbraw/zinc/86/70/37/558867037.db2.gz MOGIDXBCZGFOQO-UHFFFAOYSA-N 0 0 410.521 4.700 50 0 HJAARN O=C(Nc1ccccc1C(F)(F)F)c1nc2ccccc2nc1N1CCCCC1 ZINC000033086007 558870505 /nfs/dbraw/zinc/87/05/05/558870505.db2.gz QXGCAYVXHHSJDJ-UHFFFAOYSA-N 0 0 400.404 4.891 50 0 HJAARN Cc1ccc(C)c(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@H]3C)c1 ZINC000033089188 558871965 /nfs/dbraw/zinc/87/19/65/558871965.db2.gz WZCODEDAECDRNJ-CYBMUJFWSA-N 0 0 411.299 4.750 50 0 HJAARN Cc1ccc(C)c(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@@H]3C)c1 ZINC000033089189 558872007 /nfs/dbraw/zinc/87/20/07/558872007.db2.gz WZCODEDAECDRNJ-ZDUSSCGKSA-N 0 0 411.299 4.750 50 0 HJAARN Cc1ccc(NC(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)cc1 ZINC000033113495 558875426 /nfs/dbraw/zinc/87/54/26/558875426.db2.gz XCVNBBDGGFIHHZ-MRXNPFEDSA-N 0 0 421.526 4.510 50 0 HJAARN CCCNC(=O)[C@H](C)C1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1 ZINC000033116003 558877395 /nfs/dbraw/zinc/87/73/95/558877395.db2.gz WQOYBHGCDAFUOX-QGZVFWFLSA-N 0 0 419.525 4.509 50 0 HJAARN CCCc1cc(Sc2ccc(NC(=O)c3ccccc3C)cc2)n2ncnc2n1 ZINC000033121959 558878793 /nfs/dbraw/zinc/87/87/93/558878793.db2.gz PVEXVJRTVYGPEO-UHFFFAOYSA-N 0 0 403.511 4.789 50 0 HJAARN Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N(C)Cc1cccc(Cl)c1 ZINC000055447603 558881308 /nfs/dbraw/zinc/88/13/08/558881308.db2.gz XECRCZUHNWUOJC-JOCHJYFZSA-N 0 0 403.917 4.846 50 0 HJAARN Cc1ccc(-n2nc(S[C@@H](C)C(=O)Nc3ccc(Cl)cc3)ccc2=O)cc1C ZINC000033128063 558881607 /nfs/dbraw/zinc/88/16/07/558881607.db2.gz CLQJYYLPXQHQAR-HNNXBMFYSA-N 0 0 413.930 4.622 50 0 HJAARN CCc1cccc(NC(=O)CSc2ccc(=O)n(-c3ccc(C(C)C)cc3)n2)c1 ZINC000033128440 558882224 /nfs/dbraw/zinc/88/22/24/558882224.db2.gz HJJFBHAAKDFUGW-UHFFFAOYSA-N 0 0 407.539 4.649 50 0 HJAARN Cc1ccc(NC(=O)CSc2ccc(=O)n(-c3ccc(C(C)C)cc3)n2)cc1C ZINC000033128434 558882311 /nfs/dbraw/zinc/88/23/11/558882311.db2.gz HZBWPUNXSRLOIR-UHFFFAOYSA-N 0 0 407.539 4.704 50 0 HJAARN C[C@@H]1CCC[C@@H](NC(=O)CCC(=O)Nc2ccc(OCCc3ccccc3)cc2)[C@@H]1C ZINC000004672831 558884802 /nfs/dbraw/zinc/88/48/02/558884802.db2.gz FJGYJYVPOMIGPN-YOSAUDMPSA-N 0 0 422.569 4.968 50 0 HJAARN CC(=O)c1cccc(NC(=O)Nc2c(=O)oc3ccccc3c2NC2CCCC2)c1 ZINC000096315530 558884911 /nfs/dbraw/zinc/88/49/11/558884911.db2.gz VKSXYFSHKXJJAF-UHFFFAOYSA-N 0 0 405.454 4.994 50 0 HJAARN CCn1c2ccccc2c2cc(NC(=O)CCCC(=O)NCc3ccccn3)ccc21 ZINC000004674102 558885138 /nfs/dbraw/zinc/88/51/38/558885138.db2.gz YZYPUDKVAAWZMH-UHFFFAOYSA-N 0 0 414.509 4.635 50 0 HJAARN C[C@@H]1CCC[C@H](N2CC(=O)N(CCc3ccccc3)[C@H](c3ccc(F)cc3)C2=O)[C@@H]1C ZINC000004672410 558886240 /nfs/dbraw/zinc/88/62/40/558886240.db2.gz OBTCCDKMXKKPEX-BCGVJQADSA-N 0 0 422.544 4.605 50 0 HJAARN COC(=O)c1ccc(NC(=O)Nc2c3cc(F)ccc3[nH]c2-c2ccncc2)cc1 ZINC000033130808 558887364 /nfs/dbraw/zinc/88/73/64/558887364.db2.gz JCHMIFKRILDRRP-UHFFFAOYSA-N 0 0 404.401 4.800 50 0 HJAARN O=C(Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1)c1cccc(F)c1 ZINC000057243092 558887990 /nfs/dbraw/zinc/88/79/90/558887990.db2.gz XIDICTIRPMENSV-UHFFFAOYSA-N 0 0 407.464 4.539 50 0 HJAARN COc1ccc(-c2csc(NC(=O)CSc3nc(C)c(CC(C)C)[nH]3)n2)cc1 ZINC000004625943 558890275 /nfs/dbraw/zinc/89/02/75/558890275.db2.gz QZPQURWSASIOJS-UHFFFAOYSA-N 0 0 416.572 4.780 50 0 HJAARN CC1CCN(c2ccc(-c3noc(CCC(=O)NC4CCCCCC4)n3)cc2)CC1 ZINC000033140844 558892762 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CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCc1ccc(C)cc1 ZINC000033173583 558901576 /nfs/dbraw/zinc/90/15/76/558901576.db2.gz MIDYWHYGRUHRAX-UHFFFAOYSA-N 0 0 424.444 4.710 50 0 HJAARN CCn1c(=O)c(-c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)nc2cccnc21 ZINC000033170237 558903464 /nfs/dbraw/zinc/90/34/64/558903464.db2.gz ZNNDNJXAENJPLQ-UHFFFAOYSA-N 0 0 418.884 4.693 50 0 HJAARN O=C(Nc1ccccc1)c1ccc(Cl)c(NC(=O)N2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000058158825 558904129 /nfs/dbraw/zinc/90/41/29/558904129.db2.gz NQPNKHGFUUHTJA-PMACEKPBSA-N 0 0 413.905 4.768 50 0 HJAARN COc1ccc(CCCc2nnc(SCC(=O)Nc3cc(C)ccc3C)o2)cc1 ZINC000004690508 558904511 /nfs/dbraw/zinc/90/45/11/558904511.db2.gz FIDNRSRUZFJULL-UHFFFAOYSA-N 0 0 411.527 4.601 50 0 HJAARN CC(C)Oc1ccc(C(=O)COC(=O)CSc2nc3ccccc3s2)cc1 ZINC000004700166 558907835 /nfs/dbraw/zinc/90/78/35/558907835.db2.gz LHFIEVVNPBFUNP-UHFFFAOYSA-N 0 0 401.509 4.602 50 0 HJAARN Cc1noc(C(C)C)c1C(=O)N1CCC(c2nc(-c3ccc(F)c(F)c3)c[nH]2)CC1 ZINC000058169307 558907823 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Cc1noc2nc(-c3ccccc3)cc(C(=O)NCCc3csc(C(C)C)n3)c12 ZINC000058223331 558913195 /nfs/dbraw/zinc/91/31/95/558913195.db2.gz CMDCZZOBCWVTLA-UHFFFAOYSA-N 0 0 406.511 4.751 50 0 HJAARN C[C@@H]1CCCCN1C(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000058364290 558921954 /nfs/dbraw/zinc/92/19/54/558921954.db2.gz VDURTIVYFDPAPW-CQSZACIVSA-N 0 0 402.336 4.528 50 0 HJAARN C[C@@]1(C(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2ccccc2F)CC1(Cl)Cl ZINC000058367903 558922401 /nfs/dbraw/zinc/92/24/01/558922401.db2.gz WMLCTOIZUWIOSN-XLIONFOSSA-N 0 0 421.299 4.696 50 0 HJAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)c1cc2c(cc1F)NC(=O)CC2 ZINC000058377368 558922717 /nfs/dbraw/zinc/92/27/17/558922717.db2.gz IUZFEGCBHQDKTJ-UHFFFAOYSA-N 0 0 402.636 4.932 50 0 HJAARN C[C@@H](NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1ccc2c(c1)OCO2 ZINC000058377958 558922841 /nfs/dbraw/zinc/92/28/41/558922841.db2.gz QXBUSGCHBJHPKC-ZCFIWIBFSA-N 0 0 408.068 4.915 50 0 HJAARN Cc1ccc(N2C[C@@H](c3nc(-c4ccc(N5CCCCC5)cc4)no3)CC2=O)cc1C ZINC000033255340 558923325 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O=C(NCc1ccc2c(c1)OCO2)c1cccc(Nc2cc(-c3ccccc3)ncn2)c1 ZINC000033261126 558928064 /nfs/dbraw/zinc/92/80/64/558928064.db2.gz ZVABZFYURBFXNY-UHFFFAOYSA-N 0 0 424.460 4.546 50 0 HJAARN Cc1ccc(NC(=O)Nc2ccc(Nc3cc(-n4ccnc4)nc(C)n3)cc2)c(C)c1 ZINC000072119413 558928104 /nfs/dbraw/zinc/92/81/04/558928104.db2.gz JUFJEUFJNBOLEX-UHFFFAOYSA-N 0 0 413.485 4.975 50 0 HJAARN O=C(OCc1sc2ccccc2c1Cl)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000058721711 558929624 /nfs/dbraw/zinc/92/96/24/558929624.db2.gz SNFDTIILNIEUFJ-HNNXBMFYSA-N 0 0 415.898 4.608 50 0 HJAARN CC1(C)C[C@H](NC(=O)c2ccccc2F)C[C@](C)(CNC(=O)c2ccccc2F)C1 ZINC000004628623 558930840 /nfs/dbraw/zinc/93/08/40/558930840.db2.gz AIQJSODFQSVULY-FYSMJZIKSA-N 0 0 414.496 4.710 50 0 HJAARN Cc1ccc(NC(=O)NCCc2nc3cccnc3n2Cc2ccccc2)cc1Cl ZINC000033263667 558932766 /nfs/dbraw/zinc/93/27/66/558932766.db2.gz BSLXTBOYLLRVKG-UHFFFAOYSA-N 0 0 419.916 4.806 50 0 HJAARN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000059321205 558933953 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CC(C)c1ccc(NC(=O)CCc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 ZINC000033061389 558955065 /nfs/dbraw/zinc/95/50/65/558955065.db2.gz QDNQKOOKZKJAHC-UHFFFAOYSA-N 0 0 412.490 4.624 50 0 HJAARN Cc1cccc2c(=O)cc(CSCC(=O)Nc3cccc(C(F)(F)F)c3)[nH]c12 ZINC000033063596 558956800 /nfs/dbraw/zinc/95/68/00/558956800.db2.gz UMUVVRNOAZGQEV-UHFFFAOYSA-N 0 0 406.429 4.727 50 0 HJAARN Cc1ccc(NC(=O)CSCc2cc(=O)c3c(C)ccc(C)c3[nH]2)cc1Cl ZINC000033064138 558956921 /nfs/dbraw/zinc/95/69/21/558956921.db2.gz LOUMHXSRTCCINC-UHFFFAOYSA-N 0 0 400.931 4.979 50 0 HJAARN CCc1ccc2[nH]c(CSCC(=O)Nc3ccc(F)c(Cl)c3)cc(=O)c2c1 ZINC000033064291 558957189 /nfs/dbraw/zinc/95/71/89/558957189.db2.gz IWBTVFZBWZFEEI-UHFFFAOYSA-N 0 0 404.894 4.755 50 0 HJAARN Cc1cccc2c(C(=O)N3CCCC[C@H]3c3cccnc3)cc(-c3cncnc3)nc12 ZINC000063883524 558960743 /nfs/dbraw/zinc/96/07/43/558960743.db2.gz TXTFBLMBAQJCIM-QHCPKHFHSA-N 0 0 409.493 4.763 50 0 HJAARN O=c1c2cn(Cc3ccc(F)cc3)c3ccc(F)cc3c-2nn1Cc1ccccc1F ZINC000021874079 558961211 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Cc1nn(-c2ccc(Nc3ccc(NC(=O)Nc4ccccc4)cc3)nn2)c(C)c1C ZINC000065365700 558976704 /nfs/dbraw/zinc/97/67/04/558976704.db2.gz PFXAGGHVPTVVSE-UHFFFAOYSA-N 0 0 413.485 4.975 50 0 HJAARN O=C1S/C(=C/c2ccccc2OCc2ccccc2)C(=O)N1CN1CCCCC1 ZINC000096602191 558981324 /nfs/dbraw/zinc/98/13/24/558981324.db2.gz DUNFUOMDAOFZIL-RCCKNPSSSA-N 0 0 408.523 4.745 50 0 HJAARN COc1cc(C)c(NC(=O)c2cc(-c3cc(C)oc3C)nc3onc(C)c32)cc1OC ZINC000011213584 558986007 /nfs/dbraw/zinc/98/60/07/558986007.db2.gz FGEBQLYCYGTDKE-UHFFFAOYSA-N 0 0 421.453 4.986 50 0 HJAARN O=C(c1ccccc1)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067774159 558992680 /nfs/dbraw/zinc/99/26/80/558992680.db2.gz JWUUQAOWRMWVRY-UHFFFAOYSA-N 0 0 402.475 4.704 50 0 HJAARN C[C@@H](NC(=O)C1CCN(c2nc3ccccc3[nH]2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000033269071 558993782 /nfs/dbraw/zinc/99/37/82/558993782.db2.gz DOLFEVXQBKQDRD-ASXFNGKXSA-N 0 0 406.574 4.500 50 0 HJAARN CSc1ccc(CN(C)C(=O)CCc2c(C)nc3c4ccccc4nn3c2C)cc1 ZINC000011220191 558994762 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O=C(CCc1nc(-c2ccc(N3CCCCC3)cc2)no1)NCCC1=CCCCC1 ZINC000033283566 559045288 /nfs/dbraw/zinc/04/52/88/559045288.db2.gz PNRBTPUFBQYHCL-UHFFFAOYSA-N 0 0 408.546 4.666 50 0 HJAARN CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CN1CCC(C)CC1 ZINC000004747772 559046094 /nfs/dbraw/zinc/04/60/94/559046094.db2.gz VBIWNDBLJAQTPW-UHFFFAOYSA-N 0 0 414.571 4.879 50 0 HJAARN Cc1oc2cc3oc(=O)c(CC(=O)NCc4ccccc4Cl)c(C)c3cc2c1C ZINC000004744121 559046336 /nfs/dbraw/zinc/04/63/36/559046336.db2.gz WJVWPFXZKMOPSZ-UHFFFAOYSA-N 0 0 409.869 4.977 50 0 HJAARN Cc1nc(-c2cc(S(=O)(=O)Nc3cc(F)ccc3F)c(C)s2)sc1C ZINC000033290021 559047018 /nfs/dbraw/zinc/04/70/18/559047018.db2.gz PXLWSCNDUQDDCZ-UHFFFAOYSA-N 0 0 400.497 4.876 50 0 HJAARN CC(C)(C)c1ccc(CSc2ncc(CO)n2Cc2ccc3c(c2)OCO3)cc1 ZINC000004755701 559051500 /nfs/dbraw/zinc/05/15/00/559051500.db2.gz RJMMYOZYUZAHFG-UHFFFAOYSA-N 0 0 410.539 4.742 50 0 HJAARN Cc1[nH]nc(-c2c(C)sc(C)c2S(=O)(=O)N[C@H]2CCCc3ccccc32)c1C ZINC000033306741 559051743 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Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000023319867 559125814 /nfs/dbraw/zinc/12/58/14/559125814.db2.gz RSISHNXLSYWSNA-DEOSSOPVSA-N 0 0 406.476 4.821 50 0 HJAARN O=S(=O)(Nc1ccc(F)cc1F)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098072711 559126379 /nfs/dbraw/zinc/12/63/79/559126379.db2.gz DNCDWBNPRFTDMZ-UHFFFAOYSA-N 0 0 416.165 4.547 50 0 HJAARN O=S(=O)(Nc1cc(F)ccc1F)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072921 559126483 /nfs/dbraw/zinc/12/64/83/559126483.db2.gz BXOJDDXJGVLQLW-UHFFFAOYSA-N 0 0 416.165 4.547 50 0 HJAARN CCCC[C@H](CC)CNS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098073002 559126653 /nfs/dbraw/zinc/12/66/53/559126653.db2.gz MCVRCRBOYWVYNQ-NSHDSACASA-N 0 0 416.303 4.963 50 0 HJAARN O=C(Cn1cccc1-c1nc(-c2ccc(F)cc2)no1)Nc1ccc(F)c(Cl)c1 ZINC000098211329 559127220 /nfs/dbraw/zinc/12/72/20/559127220.db2.gz ZQBDSOSFWZTNBE-UHFFFAOYSA-N 0 0 414.799 4.775 50 0 HJAARN Cc1cc(C)c(NC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)c(C)c1 ZINC000098211328 559127224 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412.511 4.565 50 0 HJAARN FC(F)Oc1ccc([C@@H]2CC(c3ccccc3OC(F)F)=Nc3ncnn32)cc1 ZINC000101189495 559143917 /nfs/dbraw/zinc/14/39/17/559143917.db2.gz NYSYNYZTBUWJTH-HNNXBMFYSA-N 0 0 406.339 4.537 50 0 HJAARN C[C@@H](Sc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000014044175 559146536 /nfs/dbraw/zinc/14/65/36/559146536.db2.gz CHMFNJNVLBKFGH-QGZVFWFLSA-N 0 0 424.545 4.756 50 0 HJAARN Cc1ccc(N2C[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2=O)cc1F ZINC000011665895 559147424 /nfs/dbraw/zinc/14/74/24/559147424.db2.gz MCVKFUJQTBPUCW-CYBMUJFWSA-N 0 0 405.351 4.723 50 0 HJAARN O=C(Cc1ccc(F)cc1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023323741 559147570 /nfs/dbraw/zinc/14/75/70/559147570.db2.gz KDGUOFWVTUDFKB-UHFFFAOYSA-N 0 0 424.466 4.580 50 0 HJAARN Cc1cc(C)c(NC(=O)CN(C)CC(=O)N[C@@H](C)c2ccc3ccccc3c2)c(C)c1 ZINC000014066079 559147658 /nfs/dbraw/zinc/14/76/58/559147658.db2.gz HNOQIKRHSQVJEO-FQEVSTJZSA-N 0 0 417.553 4.513 50 0 HJAARN Cc1cc2oc(=O)cc(COC(=O)c3cccnc3N3CCCC3)c2cc1C(C)C ZINC000014070586 559148676 /nfs/dbraw/zinc/14/86/76/559148676.db2.gz FCQAKGWTPLRJIG-UHFFFAOYSA-N 0 0 406.482 4.577 50 0 HJAARN CN(Cc1ccc(Cl)s1)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000014070324 559148684 /nfs/dbraw/zinc/14/86/84/559148684.db2.gz VUBRCAPGMKKJSL-UHFFFAOYSA-N 0 0 408.914 4.921 50 0 HJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1c2c(nn1-c1ccccc1)CSC2 ZINC000011667075 559150904 /nfs/dbraw/zinc/15/09/04/559150904.db2.gz OSGDBSLSVVLYEJ-UHFFFAOYSA-N 0 0 420.321 4.943 50 0 HJAARN C[C@@H](C(=O)Nc1ccc2c(c1)CCC2)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000014139246 559153215 /nfs/dbraw/zinc/15/32/15/559153215.db2.gz RKFDHFPSUFILLM-HTAPYJJXSA-N 0 0 406.526 4.501 50 0 HJAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000014426147 559165871 /nfs/dbraw/zinc/16/58/71/559165871.db2.gz JGPIFZDDMXSVPH-UHFFFAOYSA-N 0 0 410.278 4.813 50 0 HJAARN COC(=O)c1ccc2nc(CSc3ncc(C(F)(F)F)cc3Cl)oc2c1 ZINC000263639652 559167700 /nfs/dbraw/zinc/16/77/00/559167700.db2.gz CBWHEEVKHAWTRU-UHFFFAOYSA-N 0 0 402.781 4.974 50 0 HJAARN CC(C)(C)c1cc(NC(=O)[C@@H]2COc3ccccc3O2)n(-c2ccccc2Cl)n1 ZINC000023330598 559168601 /nfs/dbraw/zinc/16/86/01/559168601.db2.gz ZROMAQHGKFLXAY-SFHVURJKSA-N 0 0 411.889 4.602 50 0 HJAARN CC[C@H](C(=O)n1nc(-c2ccco2)nc1NCc1ccccc1OC)c1ccccc1 ZINC000014610936 559171014 /nfs/dbraw/zinc/17/10/14/559171014.db2.gz CYJXVQMREUQLLB-IBGZPJMESA-N 0 0 416.481 4.993 50 0 HJAARN CC(C)CC(=O)n1nc(-c2ccco2)nc1NCc1cccc(Br)c1 ZINC000014610996 559171200 /nfs/dbraw/zinc/17/12/00/559171200.db2.gz DXPAMCSSCXQHCH-UHFFFAOYSA-N 0 0 403.280 4.599 50 0 HJAARN COC(=O)c1ccccc1NC(=O)N1CCc2ccccc2[C@@H]1c1ccc(C)cc1 ZINC000023332603 559171265 /nfs/dbraw/zinc/17/12/65/559171265.db2.gz VDHRHQZUNUETDS-QHCPKHFHSA-N 0 0 400.478 4.961 50 0 HJAARN Cc1occc1-c1nnc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)n1-c1ccccc1 ZINC000004840890 559171303 /nfs/dbraw/zinc/17/13/03/559171303.db2.gz YQJXPODHAMAEJY-HNAYVOBHSA-N 0 0 410.543 4.623 50 0 HJAARN CCCN(CC1CC1)C(=O)c1ccc(-n2nc(-c3nnc(C)o3)cc2C(C)(C)C)cc1 ZINC000023333187 559171833 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/nfs/dbraw/zinc/56/01/97/560560197.db2.gz RMYWLVPHDBRZEV-UHFFFAOYSA-N 0 0 403.869 4.659 50 0 HJAARN Cc1ccc2nc(NC(=O)c3cccn(Cc4ccccc4Cl)c3=O)sc2c1 ZINC000005269945 560560417 /nfs/dbraw/zinc/56/04/17/560560417.db2.gz WQMGOALUTQGCPL-UHFFFAOYSA-N 0 0 409.898 4.720 50 0 HJAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCCC2)Nc1cc(F)ccc1F ZINC000005291194 560561994 /nfs/dbraw/zinc/56/19/94/560561994.db2.gz WXMXLKKCMJHSOL-UHFFFAOYSA-N 0 0 410.420 4.577 50 0 HJAARN CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2ccc3c(c2)CCCC3)C1=O ZINC000005304733 560563008 /nfs/dbraw/zinc/56/30/08/560563008.db2.gz OXIWTFYAYZQEBU-VWLOTQADSA-N 0 0 422.500 4.525 50 0 HJAARN O=C(NCc1nnc2c3ccccc3c(-c3ccc(Cl)cc3)nn12)C1CCCCC1 ZINC000005305865 560563448 /nfs/dbraw/zinc/56/34/48/560563448.db2.gz GVOVDTXDXSRLIC-UHFFFAOYSA-N 0 0 419.916 4.794 50 0 HJAARN CC(=O)CSc1nnc(-c2ccc(Br)cc2)n1CCc1ccccc1 ZINC000005326026 560565337 /nfs/dbraw/zinc/56/53/37/560565337.db2.gz BFJYUONNNYYLAU-UHFFFAOYSA-N 0 0 416.344 4.631 50 0 HJAARN CCc1cccc(C)c1NC(=O)Cn1ccc2ccn(Cc3cccc(C)c3)c2c1=O ZINC000062007341 560566489 /nfs/dbraw/zinc/56/64/89/560566489.db2.gz QFMFBKLIMVEWER-UHFFFAOYSA-N 0 0 413.521 4.669 50 0 HJAARN CCOC(=O)c1nnc(-c2cccs2)nc1Sc1cccc(C(F)(F)F)c1 ZINC000005333530 560566672 /nfs/dbraw/zinc/56/66/72/560566672.db2.gz KKZCSKGKKCWGCF-UHFFFAOYSA-N 0 0 411.430 4.947 50 0 HJAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccco2)N1c1nc2ccccc2s1 ZINC000005322706 560568568 /nfs/dbraw/zinc/56/85/68/560568568.db2.gz WFYASABIUMLSFK-SFHVURJKSA-N 0 0 400.415 4.746 50 0 HJAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CSc1ccc2c(c1)OCCCO2 ZINC000005365639 560571742 /nfs/dbraw/zinc/57/17/42/560571742.db2.gz JJQZDKAORIKKTF-UHFFFAOYSA-N 0 0 423.538 4.690 50 0 HJAARN Cc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)c4ccccc4C)ccc32)cc1 ZINC000005375188 560574689 /nfs/dbraw/zinc/57/46/89/560574689.db2.gz TUDNEQZUTWKNQP-UHFFFAOYSA-N 0 0 420.534 4.697 50 0 HJAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc(SC)ccc2Cl)c1C ZINC000002620174 560585993 /nfs/dbraw/zinc/58/59/93/560585993.db2.gz XCCVOJFEZFAZIF-GFCCVEGCSA-N 0 0 423.918 4.612 50 0 HJAARN O=Cc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000002631142 560586368 /nfs/dbraw/zinc/58/63/68/560586368.db2.gz IDCDIQVAVSZVML-UHFFFAOYSA-N 0 0 409.825 4.740 50 0 HJAARN CCc1cc2c(CSc3nnc(Cc4ccccc4)n3CC)cc(=O)oc2cc1O ZINC000005430293 560586709 /nfs/dbraw/zinc/58/67/09/560586709.db2.gz JQNRCWQYPNWJIX-UHFFFAOYSA-N 0 0 421.522 4.556 50 0 HJAARN O=C(N[C@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000003123259 560589062 /nfs/dbraw/zinc/58/90/62/560589062.db2.gz CNTPSCCTSNBNEI-AWEZNQCLSA-N 0 0 422.537 4.987 50 0 HJAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccccc1Br ZINC000003290669 560590504 /nfs/dbraw/zinc/59/05/04/560590504.db2.gz DIWPYBGQFWLHRS-UHFFFAOYSA-N 0 0 411.303 4.686 50 0 HJAARN FC(F)Sc1ccc(NC(=S)NNC(=S)Nc2ccccc2Cl)cc1 ZINC000003277035 560591244 /nfs/dbraw/zinc/59/12/44/560591244.db2.gz YGOVZOHRHGTYEU-UHFFFAOYSA-N 0 0 418.947 4.843 50 0 HJAARN C[C@@H](NC(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1ccccc1 ZINC000003275525 560591252 /nfs/dbraw/zinc/59/12/52/560591252.db2.gz DVIIXVHWFKZWHD-GOSISDBHSA-N 0 0 410.473 4.936 50 0 HJAARN O=C(COC(=O)CCSc1ccccc1Cl)Nc1ccccc1OC(F)F ZINC000003286070 560591545 /nfs/dbraw/zinc/59/15/45/560591545.db2.gz ZZGVAAAEZHPNJV-UHFFFAOYSA-N 0 0 415.845 4.606 50 0 HJAARN CC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1NCCC1=CCCCC1 ZINC000003299969 560592704 /nfs/dbraw/zinc/59/27/04/560592704.db2.gz LENSDIYPRAPJSK-UHFFFAOYSA-N 0 0 420.509 4.987 50 0 HJAARN CCn1c(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)nnc1-c1cccs1 ZINC000005471255 560593254 /nfs/dbraw/zinc/59/32/54/560593254.db2.gz VDBFYSLNZPHIOQ-GOSISDBHSA-N 0 0 412.584 4.872 50 0 HJAARN COc1cc(/C=C2/N=C(c3ccco3)OC2=O)ccc1OCc1ccccc1Cl ZINC000003334859 560593438 /nfs/dbraw/zinc/59/34/38/560593438.db2.gz GVAFCJJJTSTYBJ-GZTJUZNOSA-N 0 0 409.825 4.865 50 0 HJAARN CCCN(CC(=O)Nc1cccc(C)c1)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000003345670 560593793 /nfs/dbraw/zinc/59/37/93/560593793.db2.gz IJINTNJJWBBOHZ-UHFFFAOYSA-N 0 0 408.329 4.591 50 0 HJAARN COc1ccccc1NC(=O)[C@H](C)n1cnc2sc(C)c(-c3ccccc3)c2c1=O ZINC000005486097 560596215 /nfs/dbraw/zinc/59/62/15/560596215.db2.gz WGFWFUXKWNJGCN-AWEZNQCLSA-N 0 0 419.506 4.642 50 0 HJAARN COc1ccc(C2=N/C(=C3/C=C(c4cccs4)Oc4ccccc43)C(=O)O2)cc1 ZINC000005484307 560596836 /nfs/dbraw/zinc/59/68/36/560596836.db2.gz BIFXMHYGYIVUFE-FXBPSFAMSA-N 0 0 401.443 4.905 50 0 HJAARN Cc1ccc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c1 ZINC000003597978 560596912 /nfs/dbraw/zinc/59/69/12/560596912.db2.gz SYCRFXYBFNDWHD-UHFFFAOYSA-N 0 0 420.962 4.774 50 0 HJAARN COc1ccc(C(C)=O)cc1COC(=O)c1cc(Cl)c(OC(C)C)c(OC)c1 ZINC000005489127 560597786 /nfs/dbraw/zinc/59/77/86/560597786.db2.gz UFXPAPAYHHKVAF-UHFFFAOYSA-N 0 0 406.862 4.704 50 0 HJAARN Cc1oc2cc(OCC(=O)N[C@H]3CCCC[C@H]3C)ccc2c(=O)c1-c1ccccc1 ZINC000005497980 560598129 /nfs/dbraw/zinc/59/81/29/560598129.db2.gz RDUQITYXBDNZHB-IERDGZPVSA-N 0 0 405.494 4.842 50 0 HJAARN COc1ccccc1NC(=O)COc1ccc2c(c1)oc(C)c(-c1ccccc1)c2=O ZINC000005497873 560598151 /nfs/dbraw/zinc/59/81/51/560598151.db2.gz XBTFZTUDAOUSCA-UHFFFAOYSA-N 0 0 415.445 4.795 50 0 biogenic HJAARN Cc1oc2cc(OCC(=O)NCc3cccs3)ccc2c(=O)c1-c1ccccc1 ZINC000005497988 560598279 /nfs/dbraw/zinc/59/82/79/560598279.db2.gz WFLSLAKGVFZVTB-UHFFFAOYSA-N 0 0 405.475 4.525 50 0 HJAARN COc1ccc2c(c1OC)C(=O)N1C[C@H](c3ccc(C)o3)c3c4ccccc4[nH]c3[C@@H]21 ZINC000004088916 560600899 /nfs/dbraw/zinc/60/08/99/560600899.db2.gz ASWRFPZKDMGSKF-WAIKUNEKSA-N 0 0 414.461 4.777 50 0 biogenic HJAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1 ZINC000005516263 560604309 /nfs/dbraw/zinc/60/43/09/560604309.db2.gz GMASQUULOSTENA-UHFFFAOYSA-N 0 0 400.887 4.702 50 0 HJAARN Clc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@H](c1cccnc1)N1NC=NC1=N2 ZINC000005516538 560604534 /nfs/dbraw/zinc/60/45/34/560604534.db2.gz PWKDSKMQHOTDTE-FCHUYYIVSA-N 0 0 413.868 4.539 50 0 HJAARN Cc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)c(C)c1 ZINC000005542336 560607267 /nfs/dbraw/zinc/60/72/67/560607267.db2.gz GTIOUZABPXGMKF-OAQYLSRUSA-N 0 0 407.514 4.859 50 0 biogenic HJAARN CCN(C(=O)COC(=O)/C(=C/c1cccc(OC)c1)c1ccccc1)c1ccccc1 ZINC000006053970 560629444 /nfs/dbraw/zinc/62/94/44/560629444.db2.gz LXLONZVBRWSIJO-HKOYGPOVSA-N 0 0 415.489 4.832 50 0 HJAARN O=C(COC(=O)C1(c2ccccc2F)CCCC1)N1CCC(Cc2ccccc2)CC1 ZINC000005603981 560629742 /nfs/dbraw/zinc/62/97/42/560629742.db2.gz UOMXVHWVHKLNOZ-UHFFFAOYSA-N 0 0 423.528 4.662 50 0 HJAARN Cc1nnc(SCC(=O)c2ccc(Br)cc2)n1-c1ccccc1C ZINC000005619829 560631033 /nfs/dbraw/zinc/63/10/33/560631033.db2.gz FJHOKLUVFOJHSZ-UHFFFAOYSA-N 0 0 402.317 4.622 50 0 HJAARN Cc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000062581090 560631756 /nfs/dbraw/zinc/63/17/56/560631756.db2.gz UOCAHDZGTXBVGX-UHFFFAOYSA-N 0 0 419.300 4.746 50 0 HJAARN COc1cc(C(=O)N(C)Cc2ccc(C)cc2)cc(OC)c1OCc1ccccc1 ZINC000024352677 560637235 /nfs/dbraw/zinc/63/72/35/560637235.db2.gz SLMKSODTUBHLGP-UHFFFAOYSA-N 0 0 405.494 4.863 50 0 HJAARN CC(=O)c1ccc(OCC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccco2)cc1 ZINC000005654382 560637286 /nfs/dbraw/zinc/63/72/86/560637286.db2.gz LSXGWVJGPXROAG-JOCHJYFZSA-N 0 0 402.450 4.547 50 0 HJAARN C[C@@H](Sc1nnc(-c2cccs2)n1N)C(=O)Nc1ccccc1-c1ccccc1 ZINC000008735835 560638541 /nfs/dbraw/zinc/63/85/41/560638541.db2.gz HVIWFWXKTYIXFV-CQSZACIVSA-N 0 0 421.551 4.507 50 0 HJAARN COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccccc2)c(OC)c1 ZINC000015953640 560650630 /nfs/dbraw/zinc/65/06/30/560650630.db2.gz OPSSSWJBIKGPHY-HFLLPRHDSA-N 0 0 421.537 4.612 50 0 biogenic HJAARN CN1CC(=Cc2ccccc2Cl)C2=NC(=S)N[C@H](c3ccccc3Cl)C2C1 ZINC000017253977 560705332 /nfs/dbraw/zinc/70/53/32/560705332.db2.gz LRZWOWVKVTUTOT-YNEJIKTKSA-N 0 0 416.377 4.795 50 0 HJAARN CCOCCCNc1nc2c(cnn2-c2ccccc2)c(Nc2ccc(F)cc2)n1 ZINC000017306905 560707335 /nfs/dbraw/zinc/70/73/35/560707335.db2.gz KJGGDKAVGSHLOL-UHFFFAOYSA-N 0 0 406.465 4.537 50 0 HJAARN CCOc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000017315862 560708384 /nfs/dbraw/zinc/70/83/84/560708384.db2.gz LEZHQEVCJZOIJN-UHFFFAOYSA-N 0 0 400.478 4.931 50 0 HJAARN C[C@@H]1CCN(C(=O)c2ccccc2I)c2ccccc2S1 ZINC000017525249 560718113 /nfs/dbraw/zinc/71/81/13/560718113.db2.gz SMXBMPRRTQJWED-GFCCVEGCSA-N 0 0 409.292 4.822 50 0 HJAARN O=C(Nc1ccc(Br)cc1Cl)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000017579414 560719690 /nfs/dbraw/zinc/71/96/90/560719690.db2.gz ZCMAQJFVYNKHLF-QGZVFWFLSA-N 0 0 423.719 4.670 50 0 HJAARN COc1cc(OC)cc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000001182672 560727712 /nfs/dbraw/zinc/72/77/12/560727712.db2.gz PDLBSUNCLQNCMN-UHFFFAOYSA-N 0 0 418.824 4.503 50 0 HJAARN C[C@H](NC(=O)COc1ccc(N2CCCC2=O)cc1)c1ccc(-c2ccccc2)cc1 ZINC000017959958 560731404 /nfs/dbraw/zinc/73/14/04/560731404.db2.gz FBVWYTZHTSQYMN-IBGZPJMESA-N 0 0 414.505 4.737 50 0 HJAARN C[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(Cl)cc1 ZINC000017959481 560731407 /nfs/dbraw/zinc/73/14/07/560731407.db2.gz BJWJCBFABFBRAF-CYBMUJFWSA-N 0 0 411.855 4.848 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1sc2ccccc2c1Cl ZINC000017975292 560732903 /nfs/dbraw/zinc/73/29/03/560732903.db2.gz HBXYFCMGRCCJON-UHFFFAOYSA-N 0 0 423.321 4.927 50 0 HJAARN O=C(CCc1ccc(Cl)c(C(F)(F)F)c1)NC[C@H]1CCCN1c1nccs1 ZINC000206779455 560746459 /nfs/dbraw/zinc/74/64/59/560746459.db2.gz ICAZTZBMCVGATB-CYBMUJFWSA-N 0 0 417.884 4.533 50 0 HJAARN O=C(CCc1ccc(Cl)c(Cl)c1)NC[C@H]1CCCN1c1nc2ccccc2o1 ZINC000206772672 560746518 /nfs/dbraw/zinc/74/65/18/560746518.db2.gz NMIHXPSAJAPSFZ-OAHLLOKOSA-N 0 0 418.324 4.852 50 0 HJAARN O=C(c1ccccc1C(F)(F)F)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000207013992 560755908 /nfs/dbraw/zinc/75/59/08/560755908.db2.gz DKIWFPOFGJVHNZ-ZDUSSCGKSA-N 0 0 421.444 4.912 50 0 HJAARN CCOc1ccc2c(c1)s/c(=N\C(=O)c1cccc(C(F)(F)F)c1)n2CCOC ZINC000100873223 560761305 /nfs/dbraw/zinc/76/13/05/560761305.db2.gz FBSWFTUDKZYEFZ-CLCOLTQESA-N 0 0 424.444 4.508 50 0 HJAARN CCOCCn1c2ccc(Br)cc2s/c1=N\C(=O)C1CCCCC1 ZINC000100873405 560761381 /nfs/dbraw/zinc/76/13/81/560761381.db2.gz IXNMTEYLJGJNQZ-ZZEZOPTASA-N 0 0 411.365 4.509 50 0 HJAARN O=C(C1CCN(c2nc3ccccc3c(-c3ccccc3)n2)CC1)N1CCCCC1 ZINC000018056879 560774147 /nfs/dbraw/zinc/77/41/47/560774147.db2.gz SGIUEBLBOGTURW-UHFFFAOYSA-N 0 0 400.526 4.526 50 0 HJAARN CC(C)C[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2ON1c1ccccc1 ZINC000018059848 560774152 /nfs/dbraw/zinc/77/41/52/560774152.db2.gz FNBXZQRPOLLYGF-QYZOEREBSA-N 0 0 419.308 4.718 50 0 HJAARN Cc1cc(C(=O)CSc2n[nH]c(-c3ccccc3F)n2)c(C)n1CC(F)(F)F ZINC000005678284 560776670 /nfs/dbraw/zinc/77/66/70/560776670.db2.gz CKNVNLOVJORHBV-UHFFFAOYSA-N 0 0 412.412 4.566 50 0 HJAARN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1cc(C(C)=O)c[nH]1 ZINC000018155360 560780335 /nfs/dbraw/zinc/78/03/35/560780335.db2.gz DFURJIRFLXYMFR-UHFFFAOYSA-N 0 0 412.511 4.529 50 0 HJAARN COc1ccc(Br)cc1[C@H]1Nc2ccccc2C(=O)N1Cc1ccco1 ZINC000005689633 560785107 /nfs/dbraw/zinc/78/51/07/560785107.db2.gz FFRGQBRVFGVVBE-IBGZPJMESA-N 0 0 413.271 4.817 50 0 HJAARN COc1ccccc1Oc1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1 ZINC000018239010 560785309 /nfs/dbraw/zinc/78/53/09/560785309.db2.gz WKHGSTHPRPMJNF-UHFFFAOYSA-N 0 0 402.450 4.867 50 0 HJAARN COc1cccc(C2=Nc3ncnn3[C@H](c3ccc(OCc4ccccc4)cc3)C2)c1 ZINC000101095043 560785525 /nfs/dbraw/zinc/78/55/25/560785525.db2.gz PNPITHVDDPPCRZ-DEOSSOPVSA-N 0 0 410.477 4.922 50 0 HJAARN COc1ccc(C2=Nc3ncnn3[C@H](c3ccc(OCc4ccccc4)cc3)C2)cc1 ZINC000101161417 560787268 /nfs/dbraw/zinc/78/72/68/560787268.db2.gz IWTMHMAQSZYIPE-DEOSSOPVSA-N 0 0 410.477 4.922 50 0 HJAARN N=c1c2c(ncn1CCCO)Oc1ccc3ccccc3c1[C@@H]2c1ccc(Cl)cc1 ZINC000101357301 560792423 /nfs/dbraw/zinc/79/24/23/560792423.db2.gz ZDSPXWZESUTQQI-FQEVSTJZSA-N 0 0 417.896 4.837 50 0 HJAARN FC(F)Oc1ccccc1[C@@H]1CC(c2cccc(Br)c2)=Nc2ncnn21 ZINC000101641774 560797563 /nfs/dbraw/zinc/79/75/63/560797563.db2.gz MSIZLPNHZFECQM-HNNXBMFYSA-N 0 0 419.229 4.698 50 0 HJAARN O=C(NCc1cccc(Cl)c1)c1nnn(-c2cccc(Cl)c2)c1-c1ccncc1 ZINC000049003467 560798629 /nfs/dbraw/zinc/79/86/29/560798629.db2.gz SEOFFJWQTMHRLJ-UHFFFAOYSA-N 0 0 424.291 4.566 50 0 HJAARN Cc1nc(-n2[n-]c(C)c(Cc3ccccc3)c2=O)sc1C(=O)Nc1ccc(F)cc1 ZINC000101832285 560802938 /nfs/dbraw/zinc/80/29/38/560802938.db2.gz IWWKQTKYHAYLPF-UHFFFAOYSA-N 0 0 422.485 4.633 50 0 HJAARN Cc1ccc(C2=Nc3nc(NC(=O)c4ccco4)nn3[C@H](c3ccc(F)cc3)C2)cc1 ZINC000101836440 560803711 /nfs/dbraw/zinc/80/37/11/560803711.db2.gz VYQOPHQCOBCDOT-IBGZPJMESA-N 0 0 415.428 4.627 50 0 HJAARN Cc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3ccc(C)c(C)c3)C(=O)C2)cc1 ZINC000101881286 560804315 /nfs/dbraw/zinc/80/43/15/560804315.db2.gz JIZXSIWNAMFAPR-UHFFFAOYSA-N 0 0 412.493 4.503 50 0 HJAARN Cc1ccc(C2=Nc3cccnc3N(CC(=O)Nc3cc(C)cc(C)c3)C(=O)C2)cc1 ZINC000101881394 560804329 /nfs/dbraw/zinc/80/43/29/560804329.db2.gz FCDLFOMHJLIYHE-UHFFFAOYSA-N 0 0 412.493 4.503 50 0 HJAARN CCOc1ccccc1NC(=O)CN1c2cc(C)c(C)cc2N=C2CCC[C@@H]2C1=O ZINC000101946293 560805561 /nfs/dbraw/zinc/80/55/61/560805561.db2.gz NVFKGVGZVLNCSR-KRWDZBQOSA-N 0 0 405.498 4.560 50 0 HJAARN COc1cc(Cl)c(C)cc1NC(=O)CN1c2ccccc2N=C2CCC[C@H]2C1=O ZINC000101946792 560805646 /nfs/dbraw/zinc/80/56/46/560805646.db2.gz HKVFNGRIPLPIDW-CQSZACIVSA-N 0 0 411.889 4.515 50 0 HJAARN Cc1ccc(NC(=O)CN2c3ccccc3N=C(c3cccs3)CC2=O)c(C)c1 ZINC000102300648 560809113 /nfs/dbraw/zinc/80/91/13/560809113.db2.gz ROUQBUVKSYIPCN-UHFFFAOYSA-N 0 0 403.507 4.861 50 0 HJAARN O=C1C[C@H](c2ccco2)CC2=Nc3nc(C(F)(F)F)nn3[C@H](c3ccccc3)C12 ZINC000102315218 560809311 /nfs/dbraw/zinc/80/93/11/560809311.db2.gz ZRUUHKDLWPMVIM-SJKOYZFVSA-N 0 0 400.360 4.955 50 0 HJAARN Cc1ccc(NC(=O)CN2c3ccccc3N=C(c3ccccc3)CC2=O)cc1F ZINC000102529307 560812981 /nfs/dbraw/zinc/81/29/81/560812981.db2.gz GQKLEDLZUNBXDO-UHFFFAOYSA-N 0 0 401.441 4.630 50 0 HJAARN O=C(CN1c2ccccc2N=C(c2ccc(Cl)cc2)CC1=O)Nc1ccccc1 ZINC000102530505 560813245 /nfs/dbraw/zinc/81/32/45/560813245.db2.gz CAFPPBAAARELCW-UHFFFAOYSA-N 0 0 403.869 4.836 50 0 HJAARN CSc1ccc([C@H]2C3C(=O)C[C@H](c4ccccc4O)CC3=Nc3ncnn32)cc1 ZINC000102597270 560817677 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C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000103268227 560840556 /nfs/dbraw/zinc/84/05/56/560840556.db2.gz LSECTTZCWRMBDU-AXFHLTTASA-N 0 0 420.888 4.672 50 0 HJAARN COc1cccc(-n2nc3ccc(NC(=O)c4cc(Cl)ccc4Cl)cc3n2)c1 ZINC000005721060 560853861 /nfs/dbraw/zinc/85/38/61/560853861.db2.gz HLBYGZDJCBVTPF-UHFFFAOYSA-N 0 0 413.264 4.988 50 0 HJAARN O=C([O-])[C@@H](c1c[nH]c2cc(F)ccc21)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000104822531 560855231 /nfs/dbraw/zinc/85/52/31/560855231.db2.gz BUFRXMXROUJKMO-RNODOKPDSA-N 0 0 409.486 4.922 50 0 HJAARN CCOC(=O)[C@H]1CCCN(c2nc(C(C)C)nc3sc4c(c32)CC[C@H](C)C4)C1 ZINC000104918999 560856815 /nfs/dbraw/zinc/85/68/15/560856815.db2.gz SIQKPEFOTFERHT-GJZGRUSLSA-N 0 0 401.576 4.719 50 0 HJAARN COc1cc(C(=S)N2CCCC2)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000005743896 560868965 /nfs/dbraw/zinc/86/89/65/560868965.db2.gz QDRVITRUNMFWLI-UHFFFAOYSA-N 0 0 410.322 4.993 50 0 HJAARN COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)CC(C)C)N(Cc1cccc(C)c1)CC2 ZINC000105750035 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CSc1ccc(C(=O)Nc2nc(-c3ccc([C@H](C)NC(C)=O)cc3)cs2)cc1 ZINC000012047659 560887714 /nfs/dbraw/zinc/88/77/14/560887714.db2.gz VARZEUFJBBFYLD-ZDUSSCGKSA-N 0 0 411.552 4.981 50 0 HJAARN CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(Br)cc1 ZINC000012062887 560888114 /nfs/dbraw/zinc/88/81/14/560888114.db2.gz TUBBCUGKRLMKFI-SFHVURJKSA-N 0 0 412.283 4.819 50 0 HJAARN CCOC(=O)Cn1c2ccccc2nc1SCCOc1ccc(Cl)c(C)c1 ZINC000012062266 560888296 /nfs/dbraw/zinc/88/82/96/560888296.db2.gz YBIGVJSJWGKTOE-UHFFFAOYSA-N 0 0 404.919 4.732 50 0 HJAARN CCCOc1cc(Nc2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2)nc(C)n1 ZINC000012225564 560894090 /nfs/dbraw/zinc/89/40/90/560894090.db2.gz HDONXIXXCYSMEU-UHFFFAOYSA-N 0 0 422.485 4.587 50 0 HJAARN COc1cc(/C=C/C(=O)N2CCCC[C@@H](c3ccc(F)cc3)C2)cc(OC)c1OC ZINC000211078865 560894705 /nfs/dbraw/zinc/89/47/05/560894705.db2.gz CBLQFIFLKDXURO-LKQLOZHYSA-N 0 0 413.489 4.661 50 0 HJAARN Nc1c2cc3c(nc2sc1C(=O)Nc1nnc(-c2ccccc2)s1)CCCCC3 ZINC000009992869 568415796 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Cc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(NC(=O)CC(C)C)cc2)cc1 ZINC000046018138 568423862 /nfs/dbraw/zinc/42/38/62/568423862.db2.gz OHKYRWLUAMIUGR-OAQYLSRUSA-N 0 0 400.544 4.505 50 0 HJAARN COc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1-c1nc(C(C)C)no1 ZINC000046020313 568423978 /nfs/dbraw/zinc/42/39/78/568423978.db2.gz NWSJAWKLQSZIJL-UHFFFAOYSA-N 0 0 415.515 4.793 50 0 HJAARN Cc1cc(Nc2c3c(nc4nc(-c5ccco5)nn42)CCC3)ccc1Br ZINC000046022674 568424179 /nfs/dbraw/zinc/42/41/79/568424179.db2.gz HTQAZVYKMGYXFY-UHFFFAOYSA-N 0 0 410.275 4.688 50 0 HJAARN Clc1ccc(Cc2nc3nc4c(c(NCc5ccccc5)n3n2)CCCC4)cc1 ZINC000046022942 568424284 /nfs/dbraw/zinc/42/42/84/568424284.db2.gz JANSHUXKTLFLOG-UHFFFAOYSA-N 0 0 403.917 4.859 50 0 HJAARN Fc1ccc(Nc2c3c(nc4nc(Cc5ccc(Cl)cc5)nn42)CCC3)cc1F ZINC000046022930 568424337 /nfs/dbraw/zinc/42/43/37/568424337.db2.gz SGFBNHCHAXGRBM-UHFFFAOYSA-N 0 0 411.843 4.879 50 0 HJAARN O=C(Nc1ccccc1Cl)[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000046043999 568424832 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HJAARN Cc1nn(CC(C)C)c2sc(C(=O)N3CCC([C@H](O)c4ccccc4)CC3)cc12 ZINC000048273456 568434102 /nfs/dbraw/zinc/43/41/02/568434102.db2.gz CAGLWFKCTJGCMO-OAQYLSRUSA-N 0 0 411.571 4.648 50 0 HJAARN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000048289193 568435000 /nfs/dbraw/zinc/43/50/00/568435000.db2.gz YXANAPMHPWRLMF-UHFFFAOYSA-N 0 0 418.472 4.873 50 0 HJAARN CN(C[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1)C(=O)OC(C)(C)C ZINC000048276504 568435626 /nfs/dbraw/zinc/43/56/26/568435626.db2.gz JFDKEFSDYLPBFK-INIZCTEOSA-N 0 0 415.559 4.529 50 0 HJAARN COc1cc(CNC(=O)c2cc(Cl)ccc2Cl)ccc1OCc1ccncc1 ZINC000048345105 568440906 /nfs/dbraw/zinc/44/09/06/568440906.db2.gz DJHBPPHLIQKANW-UHFFFAOYSA-N 0 0 417.292 4.906 50 0 HJAARN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1C ZINC000048364157 568441730 /nfs/dbraw/zinc/44/17/30/568441730.db2.gz XNPXYHYRSZPTOK-QGZVFWFLSA-N 0 0 407.297 4.554 50 0 HJAARN CCOC(=O)c1c(=O)[nH]c2c(Cl)cccc2c1NCc1ccccc1C(F)(F)F ZINC000049001511 568443826 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Cn1c(=O)sc2c1N(c1ccc(Cl)cc1)C(=O)C[C@H]2c1ccccc1Cl ZINC000049543894 568451245 /nfs/dbraw/zinc/45/12/45/568451245.db2.gz SNZZATSADYQGLB-AWEZNQCLSA-N 0 0 405.306 4.954 50 0 HJAARN Cn1c(=O)sc2c1N(c1ccc(Cl)cc1)C(=O)C[C@@H]2c1ccc(F)c(F)c1F ZINC000049543915 568451275 /nfs/dbraw/zinc/45/12/75/568451275.db2.gz UQBXLADWHISNAB-GFCCVEGCSA-N 0 0 424.831 4.718 50 0 HJAARN CCOc1cc([C@@H]2SCC(=O)Nc3c2c(C)nn3C)ccc1OC1CCCC1 ZINC000049550550 568451941 /nfs/dbraw/zinc/45/19/41/568451941.db2.gz QTFDLBIWFGNMRD-FQEVSTJZSA-N 0 0 401.532 4.873 50 0 HJAARN C[C@H]1c2ccsc2CCN1C(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000049581381 568452891 /nfs/dbraw/zinc/45/28/91/568452891.db2.gz AFJYENDFSFYNKZ-HKUYNNGSSA-N 0 0 418.562 4.899 50 0 HJAARN CCCC(=O)Nc1ccc(S[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000113627392 568453237 /nfs/dbraw/zinc/45/32/37/568453237.db2.gz WJDXQKPCBGSKTQ-QGZVFWFLSA-N 0 0 402.903 4.503 50 0 HJAARN COC(=O)C1=C(C)N(Cc2c(F)cccc2F)C(=O)C[C@@H]1c1ccccc1Cl ZINC000006704396 568457935 /nfs/dbraw/zinc/45/79/35/568457935.db2.gz WUOJDIWJHREWOU-CQSZACIVSA-N 0 0 405.828 4.581 50 0 HJAARN CC[C@H](C)N(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)C(C)=O ZINC000006723220 568458054 /nfs/dbraw/zinc/45/80/54/568458054.db2.gz JXAGJURNVRDYFV-HNNXBMFYSA-N 0 0 401.938 4.805 50 0 HJAARN COc1ccc(C(=O)c2cnc3ccc(C)cc3c2S(=O)(=O)c2ccccc2)cc1 ZINC000006820138 568459589 /nfs/dbraw/zinc/45/95/89/568459589.db2.gz GQQRIGYDPMPZQR-UHFFFAOYSA-N 0 0 417.486 4.616 50 0 aggregator HJAARN COc1ccc(/C=C2\N=C(c3cccc4ccccc43)OC2=O)cc1OC(=O)C(C)C ZINC000000672816 568461153 /nfs/dbraw/zinc/46/11/53/568461153.db2.gz HOSNSAWVAUJIKN-MOSHPQCFSA-N 0 0 415.445 4.754 50 0 HJAARN CCC[C@]1(c2ccccc2)NC(=O)N(Cc2coc(-c3ccc(C)cc3C)n2)C1=O ZINC000024764083 568461764 /nfs/dbraw/zinc/46/17/64/568461764.db2.gz HOCLGOTUYXINRB-XMMPIXPASA-N 0 0 403.482 4.706 50 0 HJAARN CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000024776814 568462463 /nfs/dbraw/zinc/46/24/63/568462463.db2.gz LAWYAYNBVLDISF-FQEVSTJZSA-N 0 0 409.486 4.513 50 0 HJAARN CC(C)CCOC(=O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 ZINC000000705299 568463334 /nfs/dbraw/zinc/46/33/34/568463334.db2.gz ZOIKUPMEEGRMPJ-UHFFFAOYSA-N 0 0 406.265 4.997 50 0 HJAARN COc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1OC ZINC000000707139 568463563 /nfs/dbraw/zinc/46/35/63/568463563.db2.gz WPFLTAYJZMBPFV-UHFFFAOYSA-N 0 0 404.491 4.695 50 0 HJAARN Cc1nc2sc3c(c2c(SCC(=O)Nc2c(F)cccc2F)n1)CCCC3 ZINC000000719559 568465953 /nfs/dbraw/zinc/46/59/53/568465953.db2.gz KFIFCSPWGVOEKD-UHFFFAOYSA-N 0 0 405.495 4.888 50 0 HJAARN CCc1cc2c(ncn(Cc3csc(COc4ccc(Cl)cc4)n3)c2=O)s1 ZINC000024828904 568469444 /nfs/dbraw/zinc/46/94/44/568469444.db2.gz GMTKUJWNALXAQE-UHFFFAOYSA-N 0 0 417.943 4.758 50 0 HJAARN C[C@H](Nc1ccc2c(c1)OCCCO2)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000024829058 568469574 /nfs/dbraw/zinc/46/95/74/568469574.db2.gz IJGXTYBWDSJKSV-SFHVURJKSA-N 0 0 418.493 4.866 50 0 HJAARN COc1ccc(S(=O)(=O)c2c(C)c(C)n(C(C)C)c2NC(=O)CC(C)C)cc1 ZINC000012321299 568470657 /nfs/dbraw/zinc/47/06/57/568470657.db2.gz JTRRQTIAXKZJLD-UHFFFAOYSA-N 0 0 406.548 4.512 50 0 HJAARN CCC(=O)Nc1c(S(=O)(=O)c2ccc(C)cc2)c(C)c(C)n1Cc1ccccc1 ZINC000012321883 568470816 /nfs/dbraw/zinc/47/08/16/568470816.db2.gz FJWGTMBMCYRAJL-UHFFFAOYSA-N 0 0 410.539 4.643 50 0 HJAARN CCc1noc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)n1 ZINC000024841398 568470824 /nfs/dbraw/zinc/47/08/24/568470824.db2.gz VNHVMSPDRULBTD-UHFFFAOYSA-N 0 0 411.918 4.885 50 0 HJAARN CCN(CC)S(=O)(=O)c1ccc(-c2csc(Nc3cccc(OC)c3)n2)cc1 ZINC000000755789 568472451 /nfs/dbraw/zinc/47/24/51/568472451.db2.gz CZPMMOUISRHREC-UHFFFAOYSA-N 0 0 417.556 4.593 50 0 HJAARN O=C(Nc1ccccc1)c1ccc(COC(=O)c2cnn(Cc3ccccc3)c2)cc1 ZINC000022133011 568475782 /nfs/dbraw/zinc/47/57/82/568475782.db2.gz WNXDUFFMXFJRAY-UHFFFAOYSA-N 0 0 411.461 4.541 50 0 HJAARN O=C(c1csc(NCc2ccccc2Cl)n1)N1CCO[C@H](c2ccccc2)C1 ZINC000218292408 568477803 /nfs/dbraw/zinc/47/78/03/568477803.db2.gz AKLQJWHLRXWXPZ-IBGZPJMESA-N 0 0 413.930 4.622 50 0 HJAARN O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)N1CCC[C@H]2CCCC[C@H]21 ZINC000007327711 568479092 /nfs/dbraw/zinc/47/90/92/568479092.db2.gz YMEIZOFDHMIKFK-DNVCBOLYSA-N 0 0 414.550 4.692 50 0 HJAARN O=C(Nc1ncc(Cc2ccc(Cl)c(C(F)(F)F)c2)s1)C1CCOCC1 ZINC000022285705 568479110 /nfs/dbraw/zinc/47/91/10/568479110.db2.gz CGHQOWCNYYCDAU-UHFFFAOYSA-N 0 0 404.841 4.771 50 0 HJAARN Cc1ccccc1NC(=O)Cn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O ZINC000000794493 568480945 /nfs/dbraw/zinc/48/09/45/568480945.db2.gz OCWDBZYMCZAAPD-UHFFFAOYSA-N 0 0 403.869 4.664 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)c1c(N)c(C(=O)c2ccccc2)n2ccccc12 ZINC000012342150 568483936 /nfs/dbraw/zinc/48/39/36/568483936.db2.gz ZJBQJJFTWUBTTF-UHFFFAOYSA-N 0 0 403.869 4.967 50 0 HJAARN COc1cc(C(=O)Nc2ccc(-c3cn4ccc(C)cc4n3)cc2)cc(OC)c1OC ZINC000000800803 568483977 /nfs/dbraw/zinc/48/39/77/568483977.db2.gz HNTDGRQGVCNEMQ-UHFFFAOYSA-N 0 0 417.465 4.588 50 0 HJAARN O=C(Nc1ccccc1)N1CCC(C(=O)OCc2ccccc2C(F)(F)F)CC1 ZINC000007778225 568484549 /nfs/dbraw/zinc/48/45/49/568484549.db2.gz QOTWOAMFFWFMFV-UHFFFAOYSA-N 0 0 406.404 4.693 50 0 HJAARN COc1ccccc1C(=O)N[C@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000000808597 568487332 /nfs/dbraw/zinc/48/73/32/568487332.db2.gz GXVHNUFTXVCMDX-HNNXBMFYSA-N 0 0 408.112 4.887 50 0 HJAARN Cc1ccc(NC(=O)C[C@H]2C=CCC2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000008050164 568488761 /nfs/dbraw/zinc/48/87/61/568488761.db2.gz RAQLTPBTCFTGLD-HNNXBMFYSA-N 0 0 404.919 4.744 50 0 HJAARN COc1ccc([C@H](NC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)C(C)C)cc1OC ZINC000604419502 568493177 /nfs/dbraw/zinc/49/31/77/568493177.db2.gz GZMDRBGQSILGDJ-SIKLNZKXSA-N 0 0 422.529 4.824 50 0 HJAARN CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccc(OC)c(OC)c2)n1 ZINC000000812433 568495028 /nfs/dbraw/zinc/49/50/28/568495028.db2.gz KENAQBPHRWJFLG-UHFFFAOYSA-N 0 0 403.438 4.882 50 0 HJAARN CCOc1ccc(NC(=O)Nc2cc3sc(NC(=O)CC)nc3c(OC)c2)cc1 ZINC000033008440 568510263 /nfs/dbraw/zinc/51/02/63/568510263.db2.gz GBXNIAQPHXXYAI-UHFFFAOYSA-N 0 0 414.487 4.696 50 0 HJAARN Cc1ccc(OCCC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1C ZINC000024565375 568512772 /nfs/dbraw/zinc/51/27/72/568512772.db2.gz OKKZKMBZOFPMLE-HSZRJFAPSA-N 0 0 403.526 4.511 50 0 HJAARN COc1ccc2[nH]c3c(ncnc3SCC(=O)Nc3ccc(Cl)cc3F)c2c1 ZINC000033298757 568513115 /nfs/dbraw/zinc/51/31/15/568513115.db2.gz GPFYLLSJADPCEQ-UHFFFAOYSA-N 0 0 416.865 4.643 50 0 HJAARN CCc1cccc(NC(=O)C2CCN(c3nccnc3Oc3cccc(C)c3)CC2)c1 ZINC000033288278 568513608 /nfs/dbraw/zinc/51/36/08/568513608.db2.gz RMENVCVRZZEIMH-UHFFFAOYSA-N 0 0 416.525 4.995 50 0 HJAARN CCOc1ccc([C@@H]2CCCN2C(=O)COc2ccc(C)c3c2C(=O)C[C@H]3C)cc1 ZINC000024767537 568514059 /nfs/dbraw/zinc/51/40/59/568514059.db2.gz ZGIYDCYBUVYRAX-XLIONFOSSA-N 0 0 407.510 4.826 50 0 HJAARN CC(C)(C)c1ccc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)cc1 ZINC000033481057 568514945 /nfs/dbraw/zinc/51/49/45/568514945.db2.gz GTMUVGSOTHIHMG-LTGZKZEYSA-N 0 0 413.481 4.867 50 0 HJAARN CCOc1ccc2cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)ccc2c1 ZINC000000836089 568514950 /nfs/dbraw/zinc/51/49/50/568514950.db2.gz FZCOTZHDFFQQIZ-UHFFFAOYSA-N 0 0 409.551 4.882 50 0 HJAARN CCOC(=O)C(=Cc1ccc(C(F)(F)F)cc1)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000033646433 568516227 /nfs/dbraw/zinc/51/62/27/568516227.db2.gz ITTCKXSZULNOCP-NTEUORMPSA-N 0 0 422.428 4.724 50 0 HJAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)/C=C\c2ccc(C)cc2)cc1 ZINC000033785996 568521707 /nfs/dbraw/zinc/52/17/07/568521707.db2.gz XVWUWHAWDCFWQC-NIHHCSOHSA-N 0 0 412.555 4.600 50 0 HJAARN CCOc1cccc2s/c(=N/C(=O)c3cccc(Br)c3)n(CC)c21 ZINC000012378114 568552585 /nfs/dbraw/zinc/55/25/85/568552585.db2.gz IFOBSFLKQMQNKF-CZIZESTLSA-N 0 0 405.317 4.625 50 0 HJAARN O=S(=O)(N[C@H](c1ccsc1)c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000390826236 568591211 /nfs/dbraw/zinc/59/12/11/568591211.db2.gz GAEMWUCMZHXAEH-OAHLLOKOSA-N 0 0 403.472 4.896 50 0 HJAARN Cc1ccc(-c2nc(S(=O)(=O)NCc3ccccc3)c(-c3ccccc3)o2)cc1 ZINC000094992790 568593249 /nfs/dbraw/zinc/59/32/49/568593249.db2.gz IGNZWWBXBUBIPG-UHFFFAOYSA-N 0 0 404.491 4.796 50 0 HJAARN COc1cccc2cc(S(=O)(=O)c3ccc(C)cc3)/c(=N/c3ccc(F)cc3)oc21 ZINC000020285559 568596944 /nfs/dbraw/zinc/59/69/44/568596944.db2.gz HJECYVPHIILAHF-BZZOAKBMSA-N 0 0 423.465 4.954 50 0 HJAARN COc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(Br)c(C)c2)cc1 ZINC000020319889 568598760 /nfs/dbraw/zinc/59/87/60/568598760.db2.gz LBIAYHOQQUHISW-HXUWFJFHSA-N 0 0 424.298 4.932 50 0 HJAARN O=C(Nc1cccc(NC(=O)c2cc3ccccc3c(Cl)n2)c1)c1ccncc1 ZINC000095350036 568600749 /nfs/dbraw/zinc/60/07/49/568600749.db2.gz FMLLITXPNKYUDZ-UHFFFAOYSA-N 0 0 402.841 4.788 50 0 HJAARN CC1(C)Cc2nc(NC(=O)c3cc4ccc(OC(F)(F)F)cc4[nH]3)sc2C(=O)C1 ZINC000095369412 568602287 /nfs/dbraw/zinc/60/22/87/568602287.db2.gz LHVSNSDJPYXYDE-UHFFFAOYSA-N 0 0 423.416 4.930 50 0 HJAARN CCOC(=O)C1CCN(c2c(C(=O)c3ccccc3)cnc3ccc(Cl)cc32)CC1 ZINC000020380683 568602437 /nfs/dbraw/zinc/60/24/37/568602437.db2.gz SHAMLFQIYXVUKG-UHFFFAOYSA-N 0 0 422.912 4.899 50 0 HJAARN CCc1ccc([C@H]2CCCCCN2C(=O)c2nn(-c3ccccc3F)c(C)cc2=O)o1 ZINC000095399682 568604733 /nfs/dbraw/zinc/60/47/33/568604733.db2.gz IJLDHKKLTBJSSN-HXUWFJFHSA-N 0 0 423.488 4.593 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1nc(-c2ccccc2Cl)co1 ZINC000095410230 568606666 /nfs/dbraw/zinc/60/66/66/568606666.db2.gz JZFZDDSJLRBWCD-UHFFFAOYSA-N 0 0 420.856 4.619 50 0 HJAARN CC(=O)c1ccc(NC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020442735 568607813 /nfs/dbraw/zinc/60/78/13/568607813.db2.gz YESRCVMJWZXBPL-UHFFFAOYSA-N 0 0 413.521 4.828 50 0 HJAARN CCCC[C@](O)(c1ccc(F)cc1)[C@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020447092 568608529 /nfs/dbraw/zinc/60/85/29/568608529.db2.gz BTGJJKUUMGGZNO-PKTZIBPZSA-N 0 0 405.941 4.973 50 0 HJAARN CC(=O)c1nn(-c2ccc(F)cc2)nc1Nc1ccc(N2Cc3ccccc3C2)cc1 ZINC000020446720 568608542 /nfs/dbraw/zinc/60/85/42/568608542.db2.gz JTGSDTUCGTTYKJ-UHFFFAOYSA-N 0 0 413.456 4.873 50 0 HJAARN CC[C@H](C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)n1nc(C)c2sc3ccccc3c2c1=O ZINC000020467054 568610348 /nfs/dbraw/zinc/61/03/48/568610348.db2.gz QKMFEKBBZUMLMQ-LTCOOKNTSA-N 0 0 411.571 4.812 50 0 HJAARN C[C@@H](OC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1nc2ccccc2o1 ZINC000095461469 568620661 /nfs/dbraw/zinc/62/06/61/568620661.db2.gz ORICPYWCRBXMBU-MRXNPFEDSA-N 0 0 421.474 4.720 50 0 HJAARN O=C(NCc1ccc(Cl)cc1)c1ccc(C[S@](=O)Cc2ccccc2Cl)o1 ZINC000020515190 568622856 /nfs/dbraw/zinc/62/28/56/568622856.db2.gz SYUZMOSNYFJMEQ-MHZLTWQESA-N 0 0 422.333 4.965 50 0 HJAARN COc1ccc(C(=O)Nc2ccc(N3CCC[C@H]3C(C)C)c(F)c2)c(OC)c1OC ZINC000095465070 568623200 /nfs/dbraw/zinc/62/32/00/568623200.db2.gz RRAOUMYVMNECEE-SFHVURJKSA-N 0 0 416.493 4.729 50 0 HJAARN COc1cc(NC(=O)N2CCCC[C@@H]2CCc2ccccc2)ccc1N1CCCC1=O ZINC000095467040 568624516 /nfs/dbraw/zinc/62/45/16/568624516.db2.gz WWNKTLGWQRFIOI-OAQYLSRUSA-N 0 0 421.541 4.841 50 0 HJAARN CCS(=O)(=O)Nc1ccc(N[C@H]2CC=C(c3ccc(F)cc3)CC2)cc1OC ZINC000095467446 568624603 /nfs/dbraw/zinc/62/46/03/568624603.db2.gz OIPSTFXLHXLWPC-SFHVURJKSA-N 0 0 404.507 4.644 50 0 HJAARN C[C@H](CC(=O)NC[C@@H]1CC(=O)N(C)[C@@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000095468397 568625033 /nfs/dbraw/zinc/62/50/33/568625033.db2.gz APFGAKLQYVVNGY-FXCLAUTBSA-N 0 0 418.459 4.535 50 0 HJAARN Cn1cc(NC(=O)Nc2cccc(COC3CCCCC3)c2)c(-c2ccncc2)n1 ZINC000095468899 568625332 /nfs/dbraw/zinc/62/53/32/568625332.db2.gz STWWXOQFQFUIHN-UHFFFAOYSA-N 0 0 405.502 4.975 50 0 HJAARN O=C(Nc1ccc(F)c(Cl)c1)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC000020531227 568627051 /nfs/dbraw/zinc/62/70/51/568627051.db2.gz JFRVZARLCYCJIC-OAQYLSRUSA-N 0 0 408.860 4.685 50 0 HJAARN O=C(NCc1cccnc1)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 ZINC000095477463 568631032 /nfs/dbraw/zinc/63/10/32/568631032.db2.gz GHYVNPORFWGDOO-QHCPKHFHSA-N 0 0 417.553 4.583 50 0 HJAARN Cc1nnc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4c(C)c3oc2=O)s1 ZINC000095480593 568633421 /nfs/dbraw/zinc/63/34/21/568633421.db2.gz QURRIASVYAUZCP-UHFFFAOYSA-N 0 0 411.483 4.504 50 0 HJAARN Cc1ccc(SCCC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000095482230 568634198 /nfs/dbraw/zinc/63/41/98/568634198.db2.gz AGCYWWNPFDKLEZ-UHFFFAOYSA-N 0 0 401.919 4.839 50 0 HJAARN Cc1ncc(CO)c2cc(C(=O)Nc3ccc(Cl)cc3)/c(=N/c3ccccc3)oc12 ZINC000020617127 568638392 /nfs/dbraw/zinc/63/83/92/568638392.db2.gz QXGGOZUCSRPCLT-VYIQYICTSA-N 0 0 419.868 4.767 50 0 HJAARN O=C(NCc1ccc(F)cc1)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000020729013 568640669 /nfs/dbraw/zinc/64/06/69/568640669.db2.gz QGSZLFBGJCUVBK-FYJGNVAPSA-N 0 0 404.466 4.841 50 0 HJAARN CCCCCSc1nc2n(n1)[C@@H](c1ccccc1C)C(C(=O)OCC)C(C)=N2 ZINC000020849793 568645018 /nfs/dbraw/zinc/64/50/18/568645018.db2.gz UZHPWFIHODYBKM-SFHVURJKSA-N 0 0 400.548 4.721 50 0 HJAARN O=C1C[C@H](c2ccco2)Cc2[nH]c(=O)c(-c3nc(-c4ccc(F)cc4)cs3)cc21 ZINC000020850827 568645034 /nfs/dbraw/zinc/64/50/34/568645034.db2.gz KXSYYADJUIHARJ-CYBMUJFWSA-N 0 0 406.438 4.810 50 0 HJAARN CCCC[C@@](O)(c1ccc(OC)cc1)[C@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020868276 568646865 /nfs/dbraw/zinc/64/68/65/568646865.db2.gz DOCKAWZPPGQRNL-DNQXCXABSA-N 0 0 417.977 4.842 50 0 HJAARN COc1ccc([C@@](O)(CC(C)C)[C@@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020868279 568646876 /nfs/dbraw/zinc/64/68/76/568646876.db2.gz MDDIGKZIVUQBLA-ZEQRLZLVSA-N 0 0 417.977 4.698 50 0 HJAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1cccc(F)c1)SCC(=O)N2 ZINC000020891320 568647938 /nfs/dbraw/zinc/64/79/38/568647938.db2.gz CSQSLGVPKAUSTE-SFHVURJKSA-N 0 0 410.499 4.704 50 0 HJAARN COc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)N2CCCCCC2)cc1OC ZINC000020900586 568649602 /nfs/dbraw/zinc/64/96/02/568649602.db2.gz WWEFRJIWFYFESN-UHFFFAOYSA-N 0 0 422.481 4.719 50 0 HJAARN CCc1ccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCC2)cc1 ZINC000020903043 568650342 /nfs/dbraw/zinc/65/03/42/568650342.db2.gz FXHINFRWGQHHJO-AREMUKBSSA-N 0 0 415.537 4.682 50 0 HJAARN C[C@@H](CNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1)c1ccccc1 ZINC000020977757 568654019 /nfs/dbraw/zinc/65/40/19/568654019.db2.gz VOUPZVOVPVFAEE-NSHDSACASA-N 0 0 416.446 4.504 50 0 HJAARN COc1cc(NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C(C)C)cc(OC)c1 ZINC000020978918 568654313 /nfs/dbraw/zinc/65/43/13/568654313.db2.gz UPAOCVYDPJYGEE-UHFFFAOYSA-N 0 0 416.499 4.591 50 0 HJAARN Cc1ccc(Cl)cc1NS(=O)(=O)c1cc2[nH]c3c(c2cc1C)C(=O)CCC3 ZINC000020990146 568655865 /nfs/dbraw/zinc/65/58/65/568655865.db2.gz PSRMICZNAQNQTD-UHFFFAOYSA-N 0 0 402.903 4.758 50 0 HJAARN O=C(CCN1c2ccccc2Sc2ncccc2C1=O)NCCC1=CCCCC1 ZINC000020993378 568656179 /nfs/dbraw/zinc/65/61/79/568656179.db2.gz DNRZMCRULDGLMI-UHFFFAOYSA-N 0 0 407.539 4.590 50 0 HJAARN Cc1cccc(NC(=O)CCN2c3ccccc3Sc3ncccc3C2=O)c1C ZINC000020993266 568656285 /nfs/dbraw/zinc/65/62/85/568656285.db2.gz XVZGNXXFVYHXNO-UHFFFAOYSA-N 0 0 403.507 4.839 50 0 HJAARN COc1ccc(-c2nn(Cc3ccccc3)cc2CNc2ccc(Cl)nn2)cc1 ZINC000225641360 568659590 /nfs/dbraw/zinc/65/95/90/568659590.db2.gz RRIQGXFMPTYQRU-UHFFFAOYSA-N 0 0 405.889 4.663 50 0 HJAARN C[C@H]1CN(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)C[C@@H](c2ccccc2)O1 ZINC000225679625 568663705 /nfs/dbraw/zinc/66/37/05/568663705.db2.gz VAADSPYFCUMQFI-MBSDFSHPSA-N 0 0 416.525 4.880 50 0 HJAARN CCOc1ccccc1NC(=O)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 ZINC000021101307 568666481 /nfs/dbraw/zinc/66/64/81/568666481.db2.gz WITIJOZONZLOMK-UHFFFAOYSA-N 0 0 420.488 4.964 50 0 biogenic HJAARN COC(=O)c1c(-c2cccs2)csc1NC(=O)c1cncc(Br)c1 ZINC000021149217 568672080 /nfs/dbraw/zinc/67/20/80/568672080.db2.gz DMOSVQRFQSOYOD-UHFFFAOYSA-N 0 0 423.313 4.673 50 0 HJAARN O=C(CN1c2ccccc2Sc2ncccc2C1=O)Nc1ccc(Cl)cc1F ZINC000021163500 568674455 /nfs/dbraw/zinc/67/44/55/568674455.db2.gz MNJPFGFEUYFSMW-UHFFFAOYSA-N 0 0 413.861 4.624 50 0 HJAARN CN(C(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2)c1ccccc1 ZINC000021166748 568674987 /nfs/dbraw/zinc/67/49/87/568674987.db2.gz RXQZWQXXHUBAJQ-UHFFFAOYSA-N 0 0 403.912 4.632 50 0 HJAARN FC(F)(F)COc1cccc(CN2CCc3c(ncn3CCc3ccccc3)C2)c1 ZINC000095982819 568675691 /nfs/dbraw/zinc/67/56/91/568675691.db2.gz VWKSUUIMKBPDHS-UHFFFAOYSA-N 0 0 415.459 4.625 50 0 HJAARN CCOc1ccc(S(=O)(=O)Nc2cc(-c3cn4cccc(C)c4n3)ccc2C)cc1 ZINC000021173434 568676815 /nfs/dbraw/zinc/67/68/15/568676815.db2.gz PIQBQHHTBATPDU-UHFFFAOYSA-N 0 0 421.522 4.818 50 0 HJAARN O=C(C[C@@H]1CCOc2ccccc21)N(c1nccs1)[C@H]1CCCc2cccnc21 ZINC000095997595 568679413 /nfs/dbraw/zinc/67/94/13/568679413.db2.gz IHDIIHDSCCGJCR-HKUYNNGSSA-N 0 0 405.523 4.905 50 0 HJAARN O=C(c1cnn(-c2ccccc2)c1Br)N(Cc1cccs1)C1CC1 ZINC000096006691 568682892 /nfs/dbraw/zinc/68/28/92/568682892.db2.gz BRHPIEBAACMHEC-UHFFFAOYSA-N 0 0 402.317 4.501 50 0 HJAARN CC(C)c1cnc(COC(=O)[C@@H](C)Oc2ccc(Br)cc2F)s1 ZINC000096008813 568683541 /nfs/dbraw/zinc/68/35/41/568683541.db2.gz GNYQDBIWLUJCQC-SNVBAGLBSA-N 0 0 402.285 4.679 50 0 HJAARN Clc1ccccc1OCc1nnc(SCCCc2ccncc2)n1C1CC1 ZINC000096010354 568683743 /nfs/dbraw/zinc/68/37/43/568683743.db2.gz YVWMRHRWTWXMSJ-UHFFFAOYSA-N 0 0 400.935 4.965 50 0 HJAARN Cc1noc(C)c1CNc1nc2ccc(Cl)cc2c(NCc2c(C)noc2C)n1 ZINC000096011548 568684389 /nfs/dbraw/zinc/68/43/89/568684389.db2.gz ZEYWIHFYNWPOOD-UHFFFAOYSA-N 0 0 412.881 4.717 50 0 HJAARN O=C(COC(=O)c1cncc2ccccc21)Nc1cc(C(F)(F)F)ccc1Cl ZINC000096012719 568685083 /nfs/dbraw/zinc/68/50/83/568685083.db2.gz WHPNDKUZTIJXKS-UHFFFAOYSA-N 0 0 408.763 4.703 50 0 HJAARN CC(=O)Nc1ccc(C2=N/C(=C/c3ccccc3OCc3ccccc3)C(=O)O2)cc1 ZINC000000842303 568689081 /nfs/dbraw/zinc/68/90/81/568689081.db2.gz VAIIVFCCFBXSTN-PXLXIMEGSA-N 0 0 412.445 4.569 50 0 HJAARN Cc1ccc(C(=O)Nc2c3ccccc3[nH]c2C(=O)NCc2cc(F)cc(F)c2)cc1 ZINC000021361609 568690326 /nfs/dbraw/zinc/69/03/26/568690326.db2.gz TZTOKGJHSIVAOX-UHFFFAOYSA-N 0 0 419.431 4.937 50 0 HJAARN COc1ccc(OC)c(NC(=O)c2sc(-c3c(F)cccc3OC)nc2C)c1 ZINC000012389984 568693601 /nfs/dbraw/zinc/69/36/01/568693601.db2.gz AUIPPKUULAYRNM-UHFFFAOYSA-N 0 0 402.447 4.536 50 0 HJAARN Cc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(O)cc5)coc-4c32)cc1 ZINC000096114647 568694410 /nfs/dbraw/zinc/69/44/10/568694410.db2.gz ZOSOHNRDDARFGM-KRWDZBQOSA-N 0 0 414.413 4.621 50 0 biogenic HJAARN O=C(NCCCCOc1ccc(F)cc1)c1cc(Br)ccc1Cl ZINC000012392670 568696476 /nfs/dbraw/zinc/69/64/76/568696476.db2.gz LYZIZDFVINNZOR-UHFFFAOYSA-N 0 0 400.675 4.831 50 0 HJAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc3ncccc3c2)S1 ZINC000096117642 568697336 /nfs/dbraw/zinc/69/73/36/568697336.db2.gz FFMCXYCVKICOCE-APWZRJJASA-N 0 0 408.527 4.741 50 0 HJAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2c(F)cccc2Cl)S1 ZINC000096117879 568697587 /nfs/dbraw/zinc/69/75/87/568697587.db2.gz OOESTUNTUQANCJ-BZNIZROVSA-N 0 0 409.914 4.985 50 0 HJAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2c(F)cccc2Cl)S1 ZINC000096117881 568697598 /nfs/dbraw/zinc/69/75/98/568697598.db2.gz OOESTUNTUQANCJ-BDJLRTHQSA-N 0 0 409.914 4.985 50 0 HJAARN O=C(CSCc1ccccc1)Nc1ccccc1Cc1nc(-c2ccncc2)no1 ZINC000096119638 568698928 /nfs/dbraw/zinc/69/89/28/568698928.db2.gz LAXIIEUZPNPRKD-UHFFFAOYSA-N 0 0 416.506 4.594 50 0 HJAARN O=C(NCc1ccc(C(=O)c2ccccc2)s1)c1cc(Br)cs1 ZINC000096119926 568699142 /nfs/dbraw/zinc/69/91/42/568699142.db2.gz GJSGAKJAXFTAHE-UHFFFAOYSA-N 0 0 406.326 4.733 50 0 HJAARN O=C(NCCn1nc(C2CC2)cc1C1CC1)NC(c1ccccc1)c1ccccc1 ZINC000096121786 568700083 /nfs/dbraw/zinc/70/00/83/568700083.db2.gz UXZVYPGKDRNSBV-UHFFFAOYSA-N 0 0 400.526 4.727 50 0 HJAARN COc1cccc(-c2ccc(C(=O)Nc3ccc(N4CC[C@@H](OC)C4)cc3)cc2)c1 ZINC000096122238 568700287 /nfs/dbraw/zinc/70/02/87/568700287.db2.gz RCSKPNQFQSFOJO-XMMPIXPASA-N 0 0 402.494 4.840 50 0 HJAARN COc1cc(C=C2SC(=O)NC2=O)ccc1OCCSCc1ccc(C)cc1 ZINC000096191236 568703344 /nfs/dbraw/zinc/70/33/44/568703344.db2.gz WCYDESZQWKVJNG-XDHOZWIPSA-N 0 0 415.536 4.640 50 0 HJAARN O=C(CSC1=N[C@@H]2Nc3ccccc3[C@@H]2N=N1)c1ccc(Br)cc1 ZINC000096191567 568703549 /nfs/dbraw/zinc/70/35/49/568703549.db2.gz IAFNBRWCIVSKTH-HOTGVXAUSA-N 0 0 401.289 4.680 50 0 HJAARN COc1ccc(C(=O)N2CCn3cccc3[C@@H]2c2ccccc2F)cc1C(F)(F)F ZINC000096203768 568704352 /nfs/dbraw/zinc/70/43/52/568704352.db2.gz CUCCCVMJQMCQAZ-FQEVSTJZSA-N 0 0 418.390 4.900 50 0 HJAARN COc1cccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)c1 ZINC000096221826 568705473 /nfs/dbraw/zinc/70/54/73/568705473.db2.gz KQZNRESJLJZRSR-IBGZPJMESA-N 0 0 414.413 4.615 50 0 biogenic HJAARN CC(C)n1c(CCCCCNC(=O)c2n[nH]c3c2CCCCC3)nc2ccccc21 ZINC000096231599 568707239 /nfs/dbraw/zinc/70/72/39/568707239.db2.gz APNDXYPAKMDCQD-UHFFFAOYSA-N 0 0 407.562 4.752 50 0 HJAARN Cc1[nH]c2ccc(-c3nnc(S[C@@H](C)C(=O)NCc4cccs4)o3)cc2c1C ZINC000021525246 568709160 /nfs/dbraw/zinc/70/91/60/568709160.db2.gz KYCWZLVAWOMHHQ-ZDUSSCGKSA-N 0 0 412.540 4.693 50 0 HJAARN Cc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCC2)N(CCC(C)C)C3=O)o1 ZINC000021526791 568709426 /nfs/dbraw/zinc/70/94/26/568709426.db2.gz LNDDUBNQJKMMGF-XMMPIXPASA-N 0 0 413.562 4.642 50 0 HJAARN C[C@]1(C(=O)NC2CCCCCC2)Cn2c3ccoc3cc2C(=O)N1C1CCCCC1 ZINC000021526684 568709441 /nfs/dbraw/zinc/70/94/41/568709441.db2.gz KIMYBZHIGJMNMH-XMMPIXPASA-N 0 0 411.546 4.621 50 0 HJAARN Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CCCCCC4)c3n2)cc1 ZINC000000848677 568711082 /nfs/dbraw/zinc/71/10/82/568711082.db2.gz HSOPROKRDXCLAZ-UHFFFAOYSA-N 0 0 402.420 4.740 50 0 HJAARN Cc1cn2c(nc(CSc3ccccc3NC(=O)c3ccccc3C)cc2=O)s1 ZINC000021535951 568712191 /nfs/dbraw/zinc/71/21/91/568712191.db2.gz JNUDDZMBORFPNA-UHFFFAOYSA-N 0 0 421.547 4.917 50 0 HJAARN Cc1cc(C)c2c(-n3cccc3)nn(CCCC(=O)Nc3ccc(C)c(C)c3)c2n1 ZINC000021540012 568713492 /nfs/dbraw/zinc/71/34/92/568713492.db2.gz HAWQJVYWHOJMSA-UHFFFAOYSA-N 0 0 401.514 4.875 50 0 HJAARN O=C(Cn1nc(-c2ccc(F)cc2)c2cnc3ccccc3c21)NC1CCCCC1 ZINC000021541076 568713778 /nfs/dbraw/zinc/71/37/78/568713778.db2.gz YIWQUFQQIYSDHQ-UHFFFAOYSA-N 0 0 402.473 4.840 50 0 HJAARN Cc1ccc(C(=O)Nc2ccc3c(cc(C(N)=O)n3Cc3cccc(F)c3)c2)cc1C ZINC000096278534 568716741 /nfs/dbraw/zinc/71/67/41/568716741.db2.gz ZVGNGNFEXGBLSR-UHFFFAOYSA-N 0 0 415.468 4.797 50 0 HJAARN O=C1C[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)CN1c1ccc(Cl)cc1 ZINC000012414345 568717025 /nfs/dbraw/zinc/71/70/25/568717025.db2.gz OCRMRKWRYPANIL-GFCCVEGCSA-N 0 0 407.779 4.929 50 0 HJAARN Cc1cc(C)cc(N2C[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2=O)c1 ZINC000012414361 568717063 /nfs/dbraw/zinc/71/70/63/568717063.db2.gz LHGUSGGYCMGXCW-OAHLLOKOSA-N 0 0 401.388 4.893 50 0 HJAARN O=C(c1ccccc1Cl)N(CCc1nc(-c2ccccc2)no1)Cc1ccco1 ZINC000096278973 568717174 /nfs/dbraw/zinc/71/71/74/568717174.db2.gz MKFGLZIWHUXDOW-UHFFFAOYSA-N 0 0 407.857 4.868 50 0 HJAARN O=C(Nc1cccc(Cl)c1)[C@H]1CCN(c2cccc(OCc3ccccc3)c2)C1=O ZINC000096281392 568718777 /nfs/dbraw/zinc/71/87/77/568718777.db2.gz SBPGGKLBBSNVQX-JOCHJYFZSA-N 0 0 420.896 4.911 50 0 HJAARN Cc1cccc(Cl)c1S(=O)(=O)Oc1ccc(CN(C(=O)C(C)C)C2CC2)cc1 ZINC000096289419 568719666 /nfs/dbraw/zinc/71/96/66/568719666.db2.gz SAACUIQSAUPVTE-UHFFFAOYSA-N 0 0 421.946 4.563 50 0 HJAARN CC(C)N(CCc1nc(-c2cccc(Cl)c2)no1)C(=O)Cc1ccc(F)cc1 ZINC000096289638 568720278 /nfs/dbraw/zinc/72/02/78/568720278.db2.gz SHTQNTSNOFOEIK-UHFFFAOYSA-N 0 0 401.869 4.551 50 0 HJAARN Cc1nnc(SCc2ccccc2C(=O)NCc2ccco2)n1-c1cccc(C)c1 ZINC000096291100 568720629 /nfs/dbraw/zinc/72/06/29/568720629.db2.gz OHOLSPQDQMWUAZ-UHFFFAOYSA-N 0 0 418.522 4.699 50 0 HJAARN CCc1cccc2c([C@H](CC(=O)N3CCN(CC)CC3)c3cc(C)ccc3F)c[nH]c21 ZINC000096290779 568720640 /nfs/dbraw/zinc/72/06/40/568720640.db2.gz NWOONMAUMIPJAJ-OAQYLSRUSA-N 0 0 421.560 4.864 50 0 HJAARN CCc1nc2c(Cl)cc(Cl)cc2c(N2CCN(c3ccccc3OC)CC2)n1 ZINC000096292449 568721151 /nfs/dbraw/zinc/72/11/51/568721151.db2.gz GMPBRZZTZKRJDH-UHFFFAOYSA-N 0 0 417.340 4.834 50 0 HJAARN O=C(c1ccccc1F)N1N=C(c2cccs2)C[C@@H]1c1ccc2nccnc2c1 ZINC000012422068 568721208 /nfs/dbraw/zinc/72/12/08/568721208.db2.gz MYNGWYUUWGILQE-HXUWFJFHSA-N 0 0 402.454 4.822 50 0 HJAARN COc1cccc(-c2noc([C@H](Cc3ccccc3)NC(=O)c3cccs3)n2)c1 ZINC000096292948 568721269 /nfs/dbraw/zinc/72/12/69/568721269.db2.gz LKSWCPUONUDKHK-SFHVURJKSA-N 0 0 405.479 4.521 50 0 HJAARN COc1cccc(-c2noc([C@@H](Cc3ccccc3)NC(=O)c3cccs3)n2)c1 ZINC000096292947 568721375 /nfs/dbraw/zinc/72/13/75/568721375.db2.gz LKSWCPUONUDKHK-GOSISDBHSA-N 0 0 405.479 4.521 50 0 HJAARN CCC1=NS(=O)(=O)c2cc(NC(=O)c3ccccc3Cl)ccc2N1CC(C)C ZINC000096293411 568721551 /nfs/dbraw/zinc/72/15/51/568721551.db2.gz OZUHKKYGEACDKP-UHFFFAOYSA-N 0 0 419.934 4.566 50 0 HJAARN O=C(NCc1ccccc1)c1cnn2c1N[C@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F ZINC000000866028 568723444 /nfs/dbraw/zinc/72/34/44/568723444.db2.gz XIWGMBNNSMJNOY-ZWKOTPCHSA-N 0 0 418.394 4.613 50 0 HJAARN CSc1ccccc1NC(=O)CCCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000012440904 568723778 /nfs/dbraw/zinc/72/37/78/568723778.db2.gz OADQICYCZCIIGO-UHFFFAOYSA-N 0 0 413.930 4.705 50 0 HJAARN COC(=O)c1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)o1 ZINC000096313864 568725154 /nfs/dbraw/zinc/72/51/54/568725154.db2.gz YZDCNBWYCYUHKN-WQLSENKSSA-N 0 0 424.265 4.560 50 0 HJAARN O=C(Cc1csc(SCC(=O)c2ccc(F)cc2)n1)Nc1ccc(F)cc1 ZINC000012444183 568725287 /nfs/dbraw/zinc/72/52/87/568725287.db2.gz BHFVGZMWBRSAAG-UHFFFAOYSA-N 0 0 404.463 4.578 50 0 HJAARN C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)Oc4ccc(C(C)(C)C)cc4)c3)C(=O)[C@H]2C1 ZINC000239247991 568728580 /nfs/dbraw/zinc/72/85/80/568728580.db2.gz XUVZOOARONHAFF-XGRCMKMKSA-N 0 0 419.521 5.129 50 0 HJAARN CCOc1ccc(NC(=O)NCc2c(C)nn(-c3ccccc3)c2-n2cccc2)cc1 ZINC000021649613 568728621 /nfs/dbraw/zinc/72/86/21/568728621.db2.gz PGLFOIOHQMYCGI-UHFFFAOYSA-N 0 0 415.497 4.692 50 0 HJAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(F)cc2)cc1OC ZINC000239412548 568729423 /nfs/dbraw/zinc/72/94/23/568729423.db2.gz SVCVXAKNHHJAQL-RDPSFJRHSA-N 0 0 404.441 5.085 50 0 HJAARN O=S(=O)(Cc1ccc(-c2nc(-c3cccs3)no2)o1)c1ccc(Cl)cc1 ZINC000096322696 568730768 /nfs/dbraw/zinc/73/07/68/568730768.db2.gz XSPPDTKTCOUBJW-UHFFFAOYSA-N 0 0 406.872 4.685 50 0 HJAARN Cc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4ccc(F)cc4)no3)o2)cc1C ZINC000096322715 568730776 /nfs/dbraw/zinc/73/07/76/568730776.db2.gz KHMZAHRSDFOFHH-UHFFFAOYSA-N 0 0 412.442 4.726 50 0 HJAARN COc1ccc(-c2noc(-c3ccc(CS(=O)(=O)c4ccc(C)c(C)c4)o3)n2)cc1 ZINC000096322709 568730795 /nfs/dbraw/zinc/73/07/95/568730795.db2.gz ZTOBMEBPIWARDP-UHFFFAOYSA-N 0 0 424.478 4.596 50 0 HJAARN CCOc1ccc(NC(=O)C2CCN(c3ccnc(-c4ccc(C)cc4)n3)CC2)cc1 ZINC000096323137 568731477 /nfs/dbraw/zinc/73/14/77/568731477.db2.gz GZOBXGHNAWIEGX-UHFFFAOYSA-N 0 0 416.525 4.706 50 0 HJAARN Cc1ccc(NC(=O)N2CCc3c(sc4nc(-c5ccc(C)cc5)nn34)C2)cc1 ZINC000096323850 568732988 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COc1ccc(CCNC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)cc1 ZINC000012568394 568860949 /nfs/dbraw/zinc/86/09/49/568860949.db2.gz IVRWCNFOHCVDNP-UHFFFAOYSA-N 0 0 414.509 4.660 50 0 HJAARN C[C@@H]1CCN(C(=O)CSc2n[nH]c(-c3ccccc3F)n2)c2ccccc2S1 ZINC000012568437 568861111 /nfs/dbraw/zinc/86/11/11/568861111.db2.gz PQGODQCUCAEYQA-CYBMUJFWSA-N 0 0 414.531 4.620 50 0 HJAARN CCN(C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)c1ccccc1 ZINC000003222249 568863775 /nfs/dbraw/zinc/86/37/75/568863775.db2.gz JFYGDDSJGDEFCI-UHFFFAOYSA-N 0 0 404.495 4.673 50 0 HJAARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)c(C)c1 ZINC000003592492 568863817 /nfs/dbraw/zinc/86/38/17/568863817.db2.gz BJKHMFYXHRCLLK-UHFFFAOYSA-N 0 0 423.586 4.612 50 0 HJAARN O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)Nc1ccccc1 ZINC000003224463 568863843 /nfs/dbraw/zinc/86/38/43/568863843.db2.gz FWTMZSJDWRSUCH-UHFFFAOYSA-N 0 0 415.371 4.640 50 0 HJAARN O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000003234971 568865295 /nfs/dbraw/zinc/86/52/95/568865295.db2.gz KBWFLSBQQCZVJT-UHFFFAOYSA-N 0 0 408.763 4.703 50 0 HJAARN COC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1 ZINC000003658695 568866847 /nfs/dbraw/zinc/86/68/47/568866847.db2.gz UBYMGLYLFMEOSF-AWEZNQCLSA-N 0 0 407.470 4.880 50 0 HJAARN O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ncc(Cl)cc1Cl ZINC000003245360 568867063 /nfs/dbraw/zinc/86/70/63/568867063.db2.gz FANPQXPDSZZHJB-UHFFFAOYSA-N 0 0 415.276 4.702 50 0 HJAARN CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(C(C)=O)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000019165553 568867669 /nfs/dbraw/zinc/86/76/69/568867669.db2.gz BFXBNYSUNSMMGG-VWNXMTODSA-N 0 0 422.525 4.616 50 0 HJAARN O=C(COc1ccc2c(c1)occ(-c1ccc(F)cc1)c2=O)Nc1ccc(F)cc1 ZINC000003251568 568867929 /nfs/dbraw/zinc/86/79/29/568867929.db2.gz WQQPVWAZWWNSKO-UHFFFAOYSA-N 0 0 407.372 4.756 50 0 HJAARN CCCSc1nnc2n1c1sc3c(c1c(=O)n2-c1cccc(C)c1)CCCC3 ZINC000003767003 568868012 /nfs/dbraw/zinc/86/80/12/568868012.db2.gz MWMPRTMUKRTIKD-UHFFFAOYSA-N 0 0 410.568 4.784 50 0 HJAARN C[C@H]1Cc2ccccc2N1C(=O)COc1ccc2c(c1)occ(-c1ccccc1)c2=O ZINC000003258413 568868683 /nfs/dbraw/zinc/86/86/83/568868683.db2.gz FDSKKNYPPFJTMQ-KRWDZBQOSA-N 0 0 411.457 4.817 50 0 HJAARN CCCn1c(=O)[nH]nc1S[C@@H](C(=O)c1c[nH]c2c1cccc2CC)c1ccccc1 ZINC000012596059 568869052 /nfs/dbraw/zinc/86/90/52/568869052.db2.gz HCUBIIPEEYRACF-OAQYLSRUSA-N 0 0 420.538 4.741 50 0 HJAARN CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc(/C=C3\SC(=N)NC3=O)cc2)cc1 ZINC000003852219 568869059 /nfs/dbraw/zinc/86/90/59/568869059.db2.gz QOIFDBXJJMGWRX-ILPOUQNUSA-N 0 0 406.507 4.742 50 0 HJAARN O=C(COc1ncnc2sc3c(c21)CCC3)Nc1ccccc1-c1ccccc1 ZINC000003269938 568870249 /nfs/dbraw/zinc/87/02/49/568870249.db2.gz SIUKVWAMZQWRLQ-UHFFFAOYSA-N 0 0 401.491 4.865 50 0 HJAARN Cc1ccc(NC(=S)NNC(=S)Nc2ccc(SC(F)F)cc2)cc1C ZINC000003274722 568870976 /nfs/dbraw/zinc/87/09/76/568870976.db2.gz DCIOOQKDDKZYOX-UHFFFAOYSA-N 0 0 412.556 4.806 50 0 HJAARN COc1ccc2c(C)c(CCC(=O)Nc3cccc(Cl)c3Cl)c(=O)oc2c1 ZINC000012607053 568871275 /nfs/dbraw/zinc/87/12/75/568871275.db2.gz SBKYJCLGUYKKMJ-UHFFFAOYSA-N 0 0 406.265 4.988 50 0 HJAARN Nc1nc(CN[C@H](c2ccccc2)c2ccc(Cl)cc2)nc(Nc2ccccc2)n1 ZINC000012607696 568871433 /nfs/dbraw/zinc/87/14/33/568871433.db2.gz IDRQDLUXNDSRHK-OAQYLSRUSA-N 0 0 416.916 4.730 50 0 HJAARN O=C(CSc1ccccn1)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 ZINC000012609359 568871706 /nfs/dbraw/zinc/87/17/06/568871706.db2.gz OMBNCFXTZNIANJ-QGZVFWFLSA-N 0 0 403.463 4.891 50 0 HJAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2csc(-c3cccs3)n2)c1 ZINC000012616205 568872006 /nfs/dbraw/zinc/87/20/06/568872006.db2.gz VZOXELNPUFIWEI-MRXNPFEDSA-N 0 0 400.525 4.866 50 0 HJAARN O=C(OCc1c(Cl)cccc1Cl)c1cccc(I)c1 ZINC000003294088 568874264 /nfs/dbraw/zinc/87/42/64/568874264.db2.gz KPCJVYMKKVJOTN-UHFFFAOYSA-N 0 0 407.034 4.955 50 0 HJAARN COc1ccc(CCCc2nnc(SCC(=O)Nc3ccc(C)cc3C)o2)cc1 ZINC000003296202 568875031 /nfs/dbraw/zinc/87/50/31/568875031.db2.gz QYYAOTDXIRQXEX-UHFFFAOYSA-N 0 0 411.527 4.601 50 0 HJAARN CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=S)NC(=O)c1cccs1 ZINC000003296324 568875036 /nfs/dbraw/zinc/87/50/36/568875036.db2.gz LCLLCQGOJPFKEK-UHFFFAOYSA-N 0 0 420.537 4.682 50 0 HJAARN CC(C)(C)NC(=O)COC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1 ZINC000003297289 568875396 /nfs/dbraw/zinc/87/53/96/568875396.db2.gz YRNWQJSHMBXXBA-UHFFFAOYSA-N 0 0 408.470 4.816 50 0 HJAARN Cc1cc(-c2ccnc(-n3ncc(C(=O)N4CCCCC4)c3C3CC3)n2)c(C)s1 ZINC000299790137 568875843 /nfs/dbraw/zinc/87/58/43/568875843.db2.gz BHHOXUJEZKTEBB-UHFFFAOYSA-N 0 0 407.543 4.511 50 0 HJAARN Cc1nn(-c2ccccc2)c2sc(C(=O)OCc3nnc(-c4ccccc4)o3)cc12 ZINC000003300840 568876394 /nfs/dbraw/zinc/87/63/94/568876394.db2.gz RPBASTOVYMQETD-UHFFFAOYSA-N 0 0 416.462 4.802 50 0 aggregator HJAARN CSc1nc2ccc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)cc2s1 ZINC000003307314 568877588 /nfs/dbraw/zinc/87/75/88/568877588.db2.gz IMBXJPBNAZHZCY-INIZCTEOSA-N 0 0 400.525 4.828 50 0 HJAARN COC(=O)c1cc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)cc(C(=O)OC)c1 ZINC000003308521 568877702 /nfs/dbraw/zinc/87/77/02/568877702.db2.gz WIXDDSIKIZDGJI-UHFFFAOYSA-N 0 0 423.465 4.619 50 0 HJAARN CCN(c1ccc(NC(=O)COC(=O)c2cc(C)nc3ccccc32)cc1)C(C)C ZINC000003311570 568878491 /nfs/dbraw/zinc/87/84/91/568878491.db2.gz MDJIZEKKIUPORB-UHFFFAOYSA-N 0 0 405.498 4.573 50 0 HJAARN Nc1nnc(S[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)s1 ZINC000003312666 568878697 /nfs/dbraw/zinc/87/86/97/568878697.db2.gz MZWPALUSPRGSEK-ZDUSSCGKSA-N 0 0 411.339 4.899 50 0 HJAARN CCOc1ccc2nc(-c3ccc(NC(=S)NC[C@H]4CCCO4)cc3)sc2c1 ZINC000003315173 568879154 /nfs/dbraw/zinc/87/91/54/568879154.db2.gz JOOJVUPTTBOBEO-QGZVFWFLSA-N 0 0 413.568 4.827 50 0 HJAARN COc1ccc(-c2nc3cc(NC(=O)Cc4ccc(OC)c(OC)c4)ccc3o2)cc1 ZINC000004034846 568879466 /nfs/dbraw/zinc/87/94/66/568879466.db2.gz RUKFQFDSWPNHGL-UHFFFAOYSA-N 0 0 418.449 4.702 50 0 HJAARN COc1ccc(C)cc1NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000003319179 568879907 /nfs/dbraw/zinc/87/99/07/568879907.db2.gz KLQLHUQGEAPIMP-UHFFFAOYSA-N 0 0 416.433 4.607 50 0 HJAARN Cc1cccc(N2C(=O)[C@@H]3Cc4c5ccccc5[nH]c4[C@@H](c4ccccc4)N3C2=O)c1 ZINC000004062736 568881757 /nfs/dbraw/zinc/88/17/57/568881757.db2.gz PJRTZJSMXWTWDQ-LADGPHEKSA-N 0 0 407.473 4.959 50 0 biogenic HJAARN NC(=O)N[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000003334301 568882543 /nfs/dbraw/zinc/88/25/43/568882543.db2.gz BFNTVBXIWJFRQH-AWEZNQCLSA-N 0 0 420.218 4.750 50 0 HJAARN NC(=O)N[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000003334299 568882664 /nfs/dbraw/zinc/88/26/64/568882664.db2.gz BFNTVBXIWJFRQH-CQSZACIVSA-N 0 0 420.218 4.750 50 0 HJAARN Cc1ccc(Cn2ccnc2SCC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000004248771 568883210 /nfs/dbraw/zinc/88/32/10/568883210.db2.gz VXAZHJLGFCJGSP-UHFFFAOYSA-N 0 0 405.445 4.989 50 0 HJAARN CC(C)n1nccc1[C@H]1CC(=O)Oc2ccc3c(=O)c(-c4ccccc4F)coc3c21 ZINC000263587779 568883309 /nfs/dbraw/zinc/88/33/09/568883309.db2.gz LCJPJTQWBLIOOA-MRXNPFEDSA-N 0 0 418.424 4.818 50 0 HJAARN O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1ccc(F)c(Cl)c1 ZINC000003344532 568884364 /nfs/dbraw/zinc/88/43/64/568884364.db2.gz ADQFQGUTVZOWIK-UHFFFAOYSA-N 0 0 412.874 4.944 50 0 HJAARN CCCCCn1cc[n+](-c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000334157356 568885805 /nfs/dbraw/zinc/88/58/05/568885805.db2.gz HDLCWSVHCXXRLY-UHFFFAOYSA-O 0 0 422.534 4.530 50 0 HJAARN COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc4c(c3)OCO4)sc2C)cc1 ZINC000003354893 568886525 /nfs/dbraw/zinc/88/65/25/568886525.db2.gz LFTKAOHCBOGHIR-UHFFFAOYSA-N 0 0 410.447 4.501 50 0 HJAARN Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1c[nH]c2ccccc21 ZINC000003362147 568888333 /nfs/dbraw/zinc/88/83/33/568888333.db2.gz KSEMOBIDGRLEFP-UHFFFAOYSA-N 0 0 412.902 4.504 50 0 HJAARN Cc1ccccc1-n1c(SC[C@@H]2COc3ccccc3O2)nnc1-c1ccncc1 ZINC000003363107 568888580 /nfs/dbraw/zinc/88/85/80/568888580.db2.gz KUMYAXRTXAFSKI-SFHVURJKSA-N 0 0 416.506 4.570 50 0 HJAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1ccccc1CN1CCSCC1 ZINC000058139388 568890559 /nfs/dbraw/zinc/89/05/59/568890559.db2.gz GIJCNYKSWOGZGP-UHFFFAOYSA-N 0 0 415.609 4.602 50 0 HJAARN Cc1ccc(C(=O)[C@@H](c2ccc(C)cc2)N2C(=O)N[C@@](C)(c3ccccc3)C2=O)cc1 ZINC000003375841 568891333 /nfs/dbraw/zinc/89/13/33/568891333.db2.gz MQXMUVPYLWHCEN-GJZUVCINSA-N 0 0 412.489 4.695 50 0 HJAARN Cc1cccc(-c2nnc(SCC(=O)Nc3nc(C)c(Cl)cc3Cl)n2C)c1 ZINC000003389338 568893980 /nfs/dbraw/zinc/89/39/80/568893980.db2.gz QMVLTJIVHFVIPJ-UHFFFAOYSA-N 0 0 422.341 4.532 50 0 HJAARN CCn1c2ccccc2c2cc(NC(=O)[C@H](NC(=O)c3ccncc3)C(C)C)ccc21 ZINC000058166030 568895219 /nfs/dbraw/zinc/89/52/19/568895219.db2.gz QHYRCYCBXPXKPC-HSZRJFAPSA-N 0 0 414.509 4.603 50 0 HJAARN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)CC(c2ccccc2)c2ccccc2)C1 ZINC000058167064 568895471 /nfs/dbraw/zinc/89/54/71/568895471.db2.gz UOMMZNBYIMIVAN-NZQKXSOJSA-N 0 0 406.570 4.752 50 0 HJAARN COC(=O)c1ccc(CSc2nnc(-c3ccoc3C)n2-c2ccccc2)cc1 ZINC000003404388 568896914 /nfs/dbraw/zinc/89/69/14/568896914.db2.gz MTRAFRNLFBIFIY-UHFFFAOYSA-N 0 0 405.479 4.915 50 0 HJAARN COc1ccc(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccc(N(C)C)cc2)cc1 ZINC000003419623 568899435 /nfs/dbraw/zinc/89/94/35/568899435.db2.gz SSNXGWVRQTWBNJ-QHCPKHFHSA-N 0 0 413.521 4.804 50 0 HJAARN Cc1ccc(-c2nn(CC(=O)Nc3cccc(Cl)c3)c(=O)c3ccccc32)cc1 ZINC000001240999 568907786 /nfs/dbraw/zinc/90/77/86/568907786.db2.gz UUOLGBDUIXDDHL-UHFFFAOYSA-N 0 0 403.869 4.664 50 0 HJAARN CCN(CC)C(=O)c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 ZINC000003486505 568908893 /nfs/dbraw/zinc/90/88/93/568908893.db2.gz VDLVJNMNJVMDLF-UHFFFAOYSA-N 0 0 409.711 4.837 50 0 HJAARN Cc1cccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(Cl)cc2Cl)c1C ZINC000001254545 568909016 /nfs/dbraw/zinc/90/90/16/568909016.db2.gz JTAFQTRSVZOHBP-SFHVURJKSA-N 0 0 404.297 4.877 50 0 HJAARN CC(C)C(=O)Nc1ccc(CNC(=O)N[C@H](C)c2cccc(Br)c2)cc1 ZINC000031043651 568910576 /nfs/dbraw/zinc/91/05/76/568910576.db2.gz QQJUXGOCPKGWGD-CQSZACIVSA-N 0 0 418.335 4.604 50 0 HJAARN FC(F)(F)c1cccc(-c2noc(-c3ncn4c3CO[C@@H](c3ccccc3)C4)n2)c1 ZINC000263616945 568910899 /nfs/dbraw/zinc/91/08/99/568910899.db2.gz LHKSCDUQIZCFKQ-QGZVFWFLSA-N 0 0 412.371 4.890 50 0 HJAARN CC(C)Cn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccccc1F ZINC000003506845 568910979 /nfs/dbraw/zinc/91/09/79/568910979.db2.gz DZSMSBJFUGKBAI-MRXNPFEDSA-N 0 0 412.534 4.710 50 0 HJAARN COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccccc4OC)sc3n2)c1 ZINC000001307055 568913693 /nfs/dbraw/zinc/91/36/93/568913693.db2.gz NKPLXYKRTRNGFN-UHFFFAOYSA-N 0 0 405.479 4.815 50 0 HJAARN Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3c(F)cccc3Cl)c3ccccc32)cc1 ZINC000001320592 568914375 /nfs/dbraw/zinc/91/43/75/568914375.db2.gz JMKZPMSABIFJAQ-DEOSSOPVSA-N 0 0 423.871 4.795 50 0 HJAARN O=C(Nc1cccc(NC(=O)c2ccc(F)cc2)c1)c1ccc(Br)o1 ZINC000004132078 568915430 /nfs/dbraw/zinc/91/54/30/568915430.db2.gz IQKSAZBZUSNTBR-UHFFFAOYSA-N 0 0 403.207 4.686 50 0 HJAARN O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1cc(=O)c2ccccc2o1 ZINC000004134682 568915629 /nfs/dbraw/zinc/91/56/29/568915629.db2.gz WGNOAUGPEZWVSF-UHFFFAOYSA-N 0 0 405.460 4.779 50 0 HJAARN Cc1ccc(S(=O)(=O)N=[S@@](Cc2ccccc2)C[C@H]2CC2(Cl)Cl)cc1 ZINC000004145222 568916406 /nfs/dbraw/zinc/91/64/06/568916406.db2.gz OEPLPUOLWFEHMC-VOIUYBSRSA-N 0 0 416.395 4.880 50 0 HJAARN C[C@@H](Sc1nnc(-c2cccnc2)n1C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000012697577 568916829 /nfs/dbraw/zinc/91/68/29/568916829.db2.gz MQNQYIACKHFYMT-MRXNPFEDSA-N 0 0 415.522 4.663 50 0 HJAARN COC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@@H](C(=O)OC)[C@H]1c1cccc(F)c1 ZINC000003623424 568920816 /nfs/dbraw/zinc/92/08/16/568920816.db2.gz VEFGGYRPBQHPPA-NHCUHLMSSA-N 0 0 409.457 4.506 50 0 HJAARN Cc1nn2c(nc(NCc3ccc(Cn4ccnc4)cc3)c3ccccc32)c1Cl ZINC000012727446 568920882 /nfs/dbraw/zinc/92/08/82/568920882.db2.gz JQSCFRFRZCAYEF-UHFFFAOYSA-N 0 0 402.889 4.701 50 0 HJAARN O=C(NCCC1=CCCCC1)c1ccc2c(=O)n(-c3ccc(F)cc3)c(=S)[nH]c2c1 ZINC000003630240 568920963 /nfs/dbraw/zinc/92/09/63/568920963.db2.gz VVRAXJIOSLZJGW-UHFFFAOYSA-N 0 0 423.513 4.808 50 0 HJAARN O=C(Nc1ccc(Br)cn1)c1ccc(COc2ccc(Cl)cc2)o1 ZINC000003638794 568921538 /nfs/dbraw/zinc/92/15/38/568921538.db2.gz VCGFVCUXFTUFKE-UHFFFAOYSA-N 0 0 407.651 4.922 50 0 HJAARN O=[S@](Cc1cc(Sc2ccccc2)nc(-c2cccnc2)n1)c1ccccc1 ZINC000001383069 568921777 /nfs/dbraw/zinc/92/17/77/568921777.db2.gz YPJXNMNPTAARKC-NDEPHWFRSA-N 0 0 403.532 4.998 50 0 HJAARN COc1ccc2c(c1)-c1nc(NC(=O)c3cccc(Br)c3)sc1CC2 ZINC000003651744 568922709 /nfs/dbraw/zinc/92/27/09/568922709.db2.gz FCMWAVUFQTUHEB-UHFFFAOYSA-N 0 0 415.312 4.932 50 0 aggregator HJAARN COc1ccc([C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)c3ccccc3C(=O)N2C)cc1 ZINC000003657646 568923136 /nfs/dbraw/zinc/92/31/36/568923136.db2.gz PDZXRMVDGRIYDI-VXKWHMMOSA-N 0 0 420.896 4.898 50 0 HJAARN Cc1c2cccc(Cl)c2oc1C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000012734078 568923980 /nfs/dbraw/zinc/92/39/80/568923980.db2.gz GQQRFFSIJSVLSZ-UHFFFAOYSA-N 0 0 402.922 4.649 50 0 HJAARN COc1ccc(CCN(Cc2ccccn2)C(=S)Nc2ccc(C)cc2)cc1OC ZINC000003665476 568924234 /nfs/dbraw/zinc/92/42/34/568924234.db2.gz KLTJCPFVKXMTEG-UHFFFAOYSA-N 0 0 421.566 4.849 50 0 HJAARN O=C(NCc1ccc(Cl)cc1)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O ZINC000001391111 568924347 /nfs/dbraw/zinc/92/43/47/568924347.db2.gz SMWXDEMANUEENA-UHFFFAOYSA-N 0 0 421.711 4.787 50 0 HJAARN O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1cccc(COc2cccc(F)c2)c1 ZINC000031397656 568925502 /nfs/dbraw/zinc/92/55/02/568925502.db2.gz FWSIYGLMCYTIAG-OAQYLSRUSA-N 0 0 422.481 4.846 50 0 HJAARN O=C(Nc1ccccc1)c1cc(Cl)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1 ZINC000001400055 568926019 /nfs/dbraw/zinc/92/60/19/568926019.db2.gz GMRMPEICRJGBIY-UHFFFAOYSA-N 0 0 406.791 4.821 50 0 HJAARN COc1cccc(N2CCN(C(=O)/C(=C/c3cccs3)c3ccccc3)CC2)c1 ZINC000001399020 568926021 /nfs/dbraw/zinc/92/60/21/568926021.db2.gz HOYCMSMLACIAQF-PTGBLXJZSA-N 0 0 404.535 4.646 50 0 HJAARN O=C(CCc1nnc(-c2ccsc2)o1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000012738331 568926145 /nfs/dbraw/zinc/92/61/45/568926145.db2.gz ZCNWFEYTFIXIPJ-IBGZPJMESA-N 0 0 413.499 4.837 50 0 HJAARN O=C(CCc1nnc(-c2ccsc2)o1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000012738329 568926184 /nfs/dbraw/zinc/92/61/84/568926184.db2.gz ZCNWFEYTFIXIPJ-LJQANCHMSA-N 0 0 413.499 4.837 50 0 HJAARN Cc1ccc(NC(=O)c2cccn(Cc3cccc(C(F)(F)F)c3)c2=O)cc1C ZINC000001400222 568926641 /nfs/dbraw/zinc/92/66/41/568926641.db2.gz FXSKPBFWQVVCGI-UHFFFAOYSA-N 0 0 400.400 4.785 50 0 HJAARN CSc1ccccc1NC(=O)CN(C)C(=O)c1cc(F)c(Cl)cc1Cl ZINC000031549702 568927886 /nfs/dbraw/zinc/92/78/86/568927886.db2.gz WXPMEHHHKAVVCE-UHFFFAOYSA-N 0 0 401.290 4.565 50 0 HJAARN CC1CCN(C(=O)c2nn3c(nc(-c4ccco4)cc3C(F)(F)F)c2Cl)CC1 ZINC000004181720 568928031 /nfs/dbraw/zinc/92/80/31/568928031.db2.gz IJEOGUMVSSSVPH-UHFFFAOYSA-N 0 0 412.799 4.534 50 0 HJAARN COc1cc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)cc(OC)c1 ZINC000012742782 568930012 /nfs/dbraw/zinc/93/00/12/568930012.db2.gz HWDNINMVXVKPAU-UHFFFAOYSA-N 0 0 413.477 4.868 50 0 HJAARN Cc1[nH]c2c(cc(F)cc2Br)c1CCNC(=S)NC1CCCCC1 ZINC000001410393 568930112 /nfs/dbraw/zinc/93/01/12/568930112.db2.gz YNBZPCIOOBSOJD-UHFFFAOYSA-N 0 0 412.372 4.717 50 0 HJAARN O=C(COC(=O)c1cc(Br)ccc1O)c1ccc(Cl)c(Cl)c1 ZINC000001262559 568930436 /nfs/dbraw/zinc/93/04/36/568930436.db2.gz JNSHVFUKOLFYSA-UHFFFAOYSA-N 0 0 404.043 4.501 50 0 HJAARN Cc1ccc(-n2c(SCc3noc(C(C)(C)C)n3)nnc2-c2ccncc2)cc1 ZINC000031789420 568931443 /nfs/dbraw/zinc/93/14/43/568931443.db2.gz ZSLQUCSLQWQLAN-UHFFFAOYSA-N 0 0 406.515 4.611 50 0 HJAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cc(C)ccc3C)C2)c2ccccc12 ZINC000012746502 568932575 /nfs/dbraw/zinc/93/25/75/568932575.db2.gz ONAMMHZDGYMWJT-IBGZPJMESA-N 0 0 416.521 4.956 50 0 HJAARN O=C(CN1CCC(c2nc3cc(Cl)ccc3s2)CC1)NCc1ccccc1F ZINC000012747673 568933603 /nfs/dbraw/zinc/93/36/03/568933603.db2.gz MFARTEURZDPOOF-UHFFFAOYSA-N 0 0 417.937 4.585 50 0 HJAARN CC(=O)Nc1cc(-c2ccccc2)nn1-c1nc(-c2cccc(OC(C)=O)c2)cs1 ZINC000001415860 568933726 /nfs/dbraw/zinc/93/37/26/568933726.db2.gz AJLUJJURQUHBHS-UHFFFAOYSA-N 0 0 418.478 4.547 50 0 HJAARN CCCCC(=O)OCCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c32)C1=O ZINC000004031923 568934637 /nfs/dbraw/zinc/93/46/37/568934637.db2.gz VDPUEQXLLAQNQZ-UHFFFAOYSA-N 0 0 422.525 4.550 50 0 HJAARN COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000004033154 568934892 /nfs/dbraw/zinc/93/48/92/568934892.db2.gz PSMVXUNNEAPXFP-UHFFFAOYSA-N 0 0 412.371 4.676 50 0 HJAARN CCOc1ccc(-c2cc(CCCC(=O)Nc3cc(OC)ccc3OC)no2)cc1 ZINC000004035591 568935391 /nfs/dbraw/zinc/93/53/91/568935391.db2.gz QKBMJXWTFKVSCO-UHFFFAOYSA-N 0 0 410.470 4.719 50 0 HJAARN O=C(CSc1cn(Cc2ccccc2Cl)c2ccccc12)NC[C@H]1CCCO1 ZINC000004060858 568936974 /nfs/dbraw/zinc/93/69/74/568936974.db2.gz DALZNPPAHKIMNL-QGZVFWFLSA-N 0 0 414.958 4.730 50 0 HJAARN O=C(NC(=S)NCCC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 ZINC000004070781 568937799 /nfs/dbraw/zinc/93/77/99/568937799.db2.gz ONIGEWKCEFQOEF-UHFFFAOYSA-N 0 0 400.632 4.800 50 0 HJAARN COc1ccc(C(=O)Nc2cc3c(cc2C(=O)c2ccc(Cl)cc2)OCCO3)cc1 ZINC000001423990 568938650 /nfs/dbraw/zinc/93/86/50/568938650.db2.gz IGACXPALGPYVDC-UHFFFAOYSA-N 0 0 423.852 4.603 50 0 HJAARN C[C@@H](NC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2c3ccccc3C(=O)N21)c1ccccc1 ZINC000004084814 568939982 /nfs/dbraw/zinc/93/99/82/568939982.db2.gz SMBBHPVLMHSHPM-OYMMJLNRSA-N 0 0 421.500 4.515 50 0 biogenic HJAARN O=C(NC[C@@H](Cc1ccccc1F)c1ccccc1)c1nc(-c2cccs2)no1 ZINC000001431328 568940454 /nfs/dbraw/zinc/94/04/54/568940454.db2.gz GJHMGKKWVRMWMZ-QGZVFWFLSA-N 0 0 407.470 4.694 50 0 HJAARN CCCCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCc1cccc(C)c1 ZINC000004087432 568941029 /nfs/dbraw/zinc/94/10/29/568941029.db2.gz LUJKEEXKPNWARE-UHFFFAOYSA-N 0 0 424.570 4.618 50 0 HJAARN Cc1sc(NC(=O)c2cnc3ccccc3n2)nc1-c1ccc(OC(F)F)cc1 ZINC000019206168 568941085 /nfs/dbraw/zinc/94/10/85/568941085.db2.gz SORBNGBFHQCBNI-UHFFFAOYSA-N 0 0 412.421 4.915 50 0 HJAARN COc1cc(OC)cc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CSC3)c1 ZINC000004088751 568941336 /nfs/dbraw/zinc/94/13/36/568941336.db2.gz TUKQNVKISIVBDA-UHFFFAOYSA-N 0 0 415.902 4.542 50 0 HJAARN COCCCNC(=O)Cc1c(C)c2cc3c(cc2oc1=O)oc(C)c3-c1ccccc1 ZINC000004089279 568941434 /nfs/dbraw/zinc/94/14/34/568941434.db2.gz DMAJBDDJEYYKTO-UHFFFAOYSA-N 0 0 419.477 4.518 50 0 biogenic HJAARN COc1ccc([C@@H]2CCCCCN2C(=O)CCc2nc(-c3ccccc3)no2)cc1 ZINC000012753785 568942089 /nfs/dbraw/zinc/94/20/89/568942089.db2.gz YAKDCFOUYVSRSD-NRFANRHFSA-N 0 0 405.498 4.822 50 0 HJAARN O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)c1ccc(-n2ccnc2)nc1 ZINC000012756186 568943059 /nfs/dbraw/zinc/94/30/59/568943059.db2.gz RQGNAOWZMQHOHA-UHFFFAOYSA-N 0 0 420.419 4.712 50 0 HJAARN COc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)c2nc3ccccc3[nH]2)cc1OC ZINC000004114707 568944402 /nfs/dbraw/zinc/94/44/02/568944402.db2.gz UEWINEDVMXEBBS-KGENOOAVSA-N 0 0 413.477 4.817 50 0 HJAARN CCOc1ccc(C(=O)N2CCN=C2SCc2ccccc2Cl)cc1OCC ZINC000004120269 568944616 /nfs/dbraw/zinc/94/46/16/568944616.db2.gz MIMBBUSFBOHWRY-UHFFFAOYSA-N 0 0 418.946 4.883 50 0 HJAARN O=C(COc1ccccc1)NC(=S)Nc1ccccc1-c1nc2ccccc2s1 ZINC000004122844 568944965 /nfs/dbraw/zinc/94/49/65/568944965.db2.gz NRPUBYQYVFMBLA-UHFFFAOYSA-N 0 0 419.531 4.855 50 0 HJAARN Cc1ccccc1[C@H](NC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1)[C@H]1CCC[C@H](C)C1 ZINC000084235049 568944987 /nfs/dbraw/zinc/94/49/87/568944987.db2.gz QESMUMSYLVWZFD-DJPFJPOOSA-N 0 0 422.573 4.705 50 0 HJAARN COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)cc2)cc1Cl ZINC000004123046 568945149 /nfs/dbraw/zinc/94/51/49/568945149.db2.gz QVWXBEYBBHZEIO-UHFFFAOYSA-N 0 0 417.962 4.712 50 0 HJAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000012760846 568945215 /nfs/dbraw/zinc/94/52/15/568945215.db2.gz BVKMWAHMXCUDDA-UHFFFAOYSA-N 0 0 401.466 4.978 50 0 HJAARN CCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000004123044 568945254 /nfs/dbraw/zinc/94/52/54/568945254.db2.gz KRDUAOKNJVHZIP-UHFFFAOYSA-N 0 0 411.571 4.839 50 0 HJAARN C[C@@H](NC(=O)NCc1cccc(NC(=O)C2CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000012763132 568946682 /nfs/dbraw/zinc/94/66/82/568946682.db2.gz ORCOHFZKWKYQDI-GFCCVEGCSA-N 0 0 406.313 4.902 50 0 HJAARN Cc1cccc2nc(CSc3nnc(-c4ccccc4)o3)c(Br)n21 ZINC000004150379 568946767 /nfs/dbraw/zinc/94/67/67/568946767.db2.gz DSXMSVLNPCSILK-UHFFFAOYSA-N 0 0 401.289 4.748 50 0 HJAARN O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)c1sccc1OC(F)F ZINC000084350570 568947151 /nfs/dbraw/zinc/94/71/51/568947151.db2.gz CJLZEFQWLOSRER-UHFFFAOYSA-N 0 0 404.891 4.808 50 0 HJAARN CCc1ccccc1NC(=O)CN(C)C(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000012766282 568948589 /nfs/dbraw/zinc/94/85/89/568948589.db2.gz FFPAQAWMDDNQLY-UHFFFAOYSA-N 0 0 413.477 4.768 50 0 HJAARN CC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)cc1 ZINC000012766783 568948812 /nfs/dbraw/zinc/94/88/12/568948812.db2.gz LWSASOGZCNTCOZ-UHFFFAOYSA-N 0 0 400.478 4.533 50 0 HJAARN CCOc1ccccc1NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000012767727 568949401 /nfs/dbraw/zinc/94/94/01/568949401.db2.gz CLEWVNDVUPZCEV-UHFFFAOYSA-N 0 0 402.494 4.729 50 0 HJAARN CCOC(=O)c1ccccc1Nc1c(C(=O)OCC)cnc2ccc(OCC)cc21 ZINC000004192456 568950376 /nfs/dbraw/zinc/95/03/76/568950376.db2.gz YFBLSHXVAZYWBP-UHFFFAOYSA-N 0 0 408.454 4.731 50 0 HJAARN Cc1cc(N2CCCC2)ccc1NC(=O)COc1cccc(Oc2ccccn2)c1 ZINC000012769200 568950417 /nfs/dbraw/zinc/95/04/17/568950417.db2.gz CYYXQKBZPIMAIO-UHFFFAOYSA-N 0 0 403.482 4.800 50 0 HJAARN Cc1ccccc1-c1nnc(SCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)n1C ZINC000012769287 568950462 /nfs/dbraw/zinc/95/04/62/568950462.db2.gz PYLLEVTXVSYLLG-SFHVURJKSA-N 0 0 408.571 4.685 50 0 HJAARN CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(OC)cc1OC ZINC000004194587 568951112 /nfs/dbraw/zinc/95/11/12/568951112.db2.gz WPMGTFQLGKPGSJ-GOSISDBHSA-N 0 0 417.303 4.554 50 0 HJAARN O=C(Nc1ccc(F)cc1Br)c1cc2ccccc2nc1N1CCCC1 ZINC000084594824 568951850 /nfs/dbraw/zinc/95/18/50/568951850.db2.gz GGCQGWPEKUMHTF-UHFFFAOYSA-N 0 0 414.278 4.989 50 0 HJAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc4ccccc4c2)C[S@](=O)C3)c(C)c1 ZINC000004224984 568952667 /nfs/dbraw/zinc/95/26/67/568952667.db2.gz PXYDZVBHIIPKRJ-SSEXGKCCSA-N 0 0 415.518 4.657 50 0 HJAARN COc1ccc([C@@H](c2c3ccccc3n(O)c2-c2ccccc2)N2CCOCC2)cc1 ZINC000004247762 568953570 /nfs/dbraw/zinc/95/35/70/568953570.db2.gz FZNQEUJMJZGYNA-VWLOTQADSA-N 0 0 414.505 4.976 50 0 HJAARN C[C@H](C[C@@H](O)c1ccccc1)NC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000084637071 568953869 /nfs/dbraw/zinc/95/38/69/568953869.db2.gz GXAWVBNAJRJYGA-AUUYWEPGSA-N 0 0 400.931 4.634 50 0 HJAARN C[C@@H](Sc1nc(-c2ccccc2)cn1N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000004251735 568955313 /nfs/dbraw/zinc/95/53/13/568955313.db2.gz HVIDGCHCMKGBBG-LLVKDONJSA-N 0 0 407.326 4.690 50 0 HJAARN CC1CCC(N(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)C2CC2)CC1 ZINC000084689295 568955722 /nfs/dbraw/zinc/95/57/22/568955722.db2.gz YHTMVTWYWKXROF-IPCDKGFNSA-N 0 0 402.966 4.762 50 0 HJAARN O=C(COc1ccccc1F)Nc1c2ccccc2oc1C(=O)Nc1ccccc1 ZINC000004267246 568956258 /nfs/dbraw/zinc/95/62/58/568956258.db2.gz NKDUYGREWPSYGV-UHFFFAOYSA-N 0 0 404.397 4.842 50 0 HJAARN Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc3[nH]c(C(C)(C)C)nc3c2)c1 ZINC000012778432 568956375 /nfs/dbraw/zinc/95/63/75/568956375.db2.gz KPOSSXGCEKSGMO-UHFFFAOYSA-N 0 0 420.542 4.729 50 0 HJAARN CCc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3cccc(Br)c3)ccc12 ZINC000012780112 568957078 /nfs/dbraw/zinc/95/70/78/568957078.db2.gz UBMHNBLZPUSEFV-GFCCVEGCSA-N 0 0 416.271 4.524 50 0 HJAARN CC[C@@H](C)Sc1ccc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)c(C)c1 ZINC000084726692 568957248 /nfs/dbraw/zinc/95/72/48/568957248.db2.gz QUSBHBHISJAHBU-FBVAEJEDSA-N 0 0 421.632 4.550 50 0 HJAARN CCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1ccc(Cl)cc1 ZINC000004274939 568958046 /nfs/dbraw/zinc/95/80/46/568958046.db2.gz INVFDUBQQVGYJW-LBPRGKRZSA-N 0 0 411.918 4.708 50 0 HJAARN COc1ccccc1[C@H]1Oc2ccccc2C2=Nc3ncnn3[C@@H](c3cccs3)C21 ZINC000004291781 568959737 /nfs/dbraw/zinc/95/97/37/568959737.db2.gz AZZQMNAVCYDKAF-FCHUYYIVSA-N 0 0 414.490 4.561 50 0 HJAARN CCCn1c(Cn2ccnc2C)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000015669138 568960806 /nfs/dbraw/zinc/96/08/06/568960806.db2.gz YSDXXPJSRQEDMD-UHFFFAOYSA-N 0 0 407.905 4.905 50 0 HJAARN CCCCC(=O)Nc1ccc2nc(SCC(=O)Nc3nccs3)sc2c1 ZINC000015669771 568961201 /nfs/dbraw/zinc/96/12/01/568961201.db2.gz UOVLUVMYQOVTOM-UHFFFAOYSA-N 0 0 406.558 4.612 50 0 HJAARN Cc1ccc(Cn2c3c4ccccc4oc3c(=O)n(-c3ccc(C)c(C)c3)c2=O)cc1 ZINC000004316444 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HJAARN Cc1c(C[NH2+]Cc2cccc(Cl)c2)c(C(=O)[O-])c(C)n1Cc1cccc(F)c1 ZINC000015776872 568999550 /nfs/dbraw/zinc/99/95/50/568999550.db2.gz KIQVMIFNWASXDS-UHFFFAOYSA-N 0 0 400.881 4.934 50 0 HJAARN CS(=O)(=O)c1ccc(C(=O)N(c2nc3ccccc3s2)c2ccccc2)cc1 ZINC000008395718 568999614 /nfs/dbraw/zinc/99/96/14/568999614.db2.gz OWBMTQVLPUIMAJ-UHFFFAOYSA-N 0 0 408.504 4.678 50 0 HJAARN CCc1cc([C@@H](c2ccsc2)N2CCOCC2)c(NC(=O)c2ccco2)s1 ZINC000038546173 569000031 /nfs/dbraw/zinc/00/00/31/569000031.db2.gz ASJBPJZHJSFABQ-GOSISDBHSA-N 0 0 402.541 4.639 50 0 HJAARN CCc1cc([C@H](c2cccs2)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546483 569000263 /nfs/dbraw/zinc/00/02/63/569000263.db2.gz LJFHVQBFNJCJBT-LJQANCHMSA-N 0 0 415.584 4.554 50 0 HJAARN Cc1c[nH]c(=O)n1-c1cccc(NC(=O)c2sc3cc(F)ccc3c2Cl)c1 ZINC000063671906 569001548 /nfs/dbraw/zinc/00/15/48/569001548.db2.gz PYJSZDAPRWOXTJ-UHFFFAOYSA-N 0 0 401.850 4.734 50 0 HJAARN Clc1cc(CSc2ncnc3c2cnn3-c2ccccc2)cc2c1OCCO2 ZINC000008427902 569002183 /nfs/dbraw/zinc/00/21/83/569002183.db2.gz NORFAXNUNHNWJJ-UHFFFAOYSA-N 0 0 410.886 4.532 50 0 HJAARN CCC(=O)Nc1ccc(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)cc1 ZINC000008429466 569002602 /nfs/dbraw/zinc/00/26/02/569002602.db2.gz OKAHDJCFTWQBCJ-UHFFFAOYSA-N 0 0 420.538 4.527 50 0 HJAARN COc1ccc2ccccc2c1/C=C1/N=C(c2ccc(Br)cc2)OC1=O ZINC000001509602 569007548 /nfs/dbraw/zinc/00/75/48/569007548.db2.gz SQZUSBJUVVILGT-LDADJPATSA-N 0 0 408.251 4.955 50 0 HJAARN COc1ccc(C2(CNC(=O)c3ccc4ccn(C(C)C)c4c3)CCOCC2)cc1 ZINC000085875955 569009530 /nfs/dbraw/zinc/00/95/30/569009530.db2.gz LGXYYXQYGGWFCC-UHFFFAOYSA-N 0 0 406.526 4.709 50 0 biogenic HJAARN CC(C)Cn1nnnc1S[C@H](C)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000012846772 569010155 /nfs/dbraw/zinc/01/01/55/569010155.db2.gz NIIMBEVPDWXRJE-OAHLLOKOSA-N 0 0 413.572 4.600 50 0 HJAARN CCc1ccc(-c2nc(C)c(C(=O)N(C)CC(=O)Nc3ccc(C)cc3)s2)cc1 ZINC000012854118 569010629 /nfs/dbraw/zinc/01/06/29/569010629.db2.gz OLTFACYOWQYUGQ-UHFFFAOYSA-N 0 0 407.539 4.700 50 0 HJAARN CCOc1ccccc1NC(=O)NCC(=O)N[C@H](c1ccc(C(C)C)cc1)C(C)C ZINC000012854429 569010864 /nfs/dbraw/zinc/01/08/64/569010864.db2.gz PZRMTALKYXKJFD-QHCPKHFHSA-N 0 0 411.546 4.844 50 0 HJAARN Cc1oc(-c2ccccc2C)nc1CN1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000015825914 569011426 /nfs/dbraw/zinc/01/14/26/569011426.db2.gz MXXGRHHAQAAMEH-UHFFFAOYSA-N 0 0 424.932 4.962 50 0 HJAARN CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CCc1ccc(C)c(Cl)c1 ZINC000012860411 569011636 /nfs/dbraw/zinc/01/16/36/569011636.db2.gz IPMOQCNYMFVLMZ-UHFFFAOYSA-N 0 0 418.324 4.520 50 0 HJAARN O=C(Cn1ccc2cc(Cl)ccc2c1=O)NC(c1ccccc1)c1ccccc1 ZINC000004542436 569012569 /nfs/dbraw/zinc/01/25/69/569012569.db2.gz SCSWFEYBSPICKO-UHFFFAOYSA-N 0 0 402.881 4.561 50 0 HJAARN CCCCOC(=O)N[C@@H](OC(=O)c1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000002141158 569012652 /nfs/dbraw/zinc/01/26/52/569012652.db2.gz YQELCXDPXCRCHL-LBPRGKRZSA-N 0 0 403.089 4.719 50 0 HJAARN COc1cccc(NC(=O)c2sc3nc(N4CCCC4)c4c(c3c2N)CCCC4)c1 ZINC000015835644 569012979 /nfs/dbraw/zinc/01/29/79/569012979.db2.gz QMFYXQJANXFDTI-UHFFFAOYSA-N 0 0 422.554 4.618 50 0 HJAARN O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Nc1ccc2c(c1)OCCO2 ZINC000012874842 569013513 /nfs/dbraw/zinc/01/35/13/569013513.db2.gz UMVXJIOBSKRDMZ-UHFFFAOYSA-N 0 0 420.412 4.781 50 0 HJAARN COc1cccc(/C=C2\SC(=O)N(CNc3ccccc3Br)C2=O)c1 ZINC000035225257 569014215 /nfs/dbraw/zinc/01/42/15/569014215.db2.gz GQVJUARZRAXWBR-YBEGLDIGSA-N 0 0 419.300 4.564 50 0 HJAARN CN(C)C(=O)CSc1nnc(Cc2cccc3ccccc32)n1C1CCCCC1 ZINC000006140590 569014273 /nfs/dbraw/zinc/01/42/73/569014273.db2.gz XLZYQPULPSHVHI-UHFFFAOYSA-N 0 0 408.571 4.708 50 0 HJAARN Cc1ccc(C)c(C(=O)CSc2nc3ccccc3c(=O)n2-c2ncccc2C)c1 ZINC000006164560 569016128 /nfs/dbraw/zinc/01/61/28/569016128.db2.gz UBQGWOXPEKBUAA-UHFFFAOYSA-N 0 0 415.518 4.681 50 0 HJAARN CC(=O)Nc1ccc(Cc2nc3cc(C(=O)N[C@@H](C)c4ccccc4)ccc3[nH]2)cc1 ZINC000015863815 569016235 /nfs/dbraw/zinc/01/62/35/569016235.db2.gz JODPTCUJPUQQMN-INIZCTEOSA-N 0 0 412.493 4.603 50 0 HJAARN COc1cc(OC)cc(C(=O)Nc2ccc3[nH]c(CCc4ccccc4)nc3c2)c1 ZINC000015863848 569016238 /nfs/dbraw/zinc/01/62/38/569016238.db2.gz SCRTVEFJMWCXOY-UHFFFAOYSA-N 0 0 401.466 4.618 50 0 HJAARN CCC(=O)Nc1ccc(Cc2nc3cc(C(=O)NC4CCCCC4)ccc3[nH]2)cc1 ZINC000015863799 569016252 /nfs/dbraw/zinc/01/62/52/569016252.db2.gz SNKIORGAHSSNCT-UHFFFAOYSA-N 0 0 404.514 4.565 50 0 HJAARN Cc1ccc(C(=O)NCc2ccc(C(=O)Nc3cccc(Br)c3)o2)cc1 ZINC000015868125 569016955 /nfs/dbraw/zinc/01/69/55/569016955.db2.gz JFJBGDVTMPUSBF-UHFFFAOYSA-N 0 0 413.271 4.533 50 0 HJAARN Cc1nn(-c2nc3ccccc3[nH]2)c2c1[C@H](c1ccc(Cl)cc1Cl)CC(=O)N2 ZINC000015868249 569017045 /nfs/dbraw/zinc/01/70/45/569017045.db2.gz AXHDVLOVGFYFSN-ZDUSSCGKSA-N 0 0 412.280 4.838 50 0 HJAARN CCS(=O)(=O)Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1 ZINC000015870807 569017500 /nfs/dbraw/zinc/01/75/00/569017500.db2.gz LZTPTVGZBZUATM-UHFFFAOYSA-N 0 0 405.523 4.572 50 0 HJAARN CSc1ccc(CC(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 ZINC000015880257 569018007 /nfs/dbraw/zinc/01/80/07/569018007.db2.gz KYPZWPHQGJJVIN-UHFFFAOYSA-N 0 0 409.580 4.605 50 0 HJAARN O=C(Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)Nc1ccc(F)cc1 ZINC000015880700 569018012 /nfs/dbraw/zinc/01/80/12/569018012.db2.gz PXAJXWGDNDCQQJ-UHFFFAOYSA-N 0 0 404.854 4.761 50 0 HJAARN COc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2c(C)cc(C)cc2C)cs1 ZINC000015880769 569018065 /nfs/dbraw/zinc/01/80/65/569018065.db2.gz SGFGWPSEMAFVKB-UHFFFAOYSA-N 0 0 424.526 4.902 50 0 HJAARN O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccc(C(F)(F)F)cc1 ZINC000015880943 569018073 /nfs/dbraw/zinc/01/80/73/569018073.db2.gz GGPUVKJACSWTQQ-UHFFFAOYSA-N 0 0 405.401 4.595 50 0 HJAARN O=C(Nc1ccccc1C(F)(F)F)c1ccc(=O)n(Cc2c(F)cccc2Cl)c1 ZINC000015883029 569019202 /nfs/dbraw/zinc/01/92/02/569019202.db2.gz QLGHWSLRVPLCCH-UHFFFAOYSA-N 0 0 424.781 4.960 50 0 HJAARN O=C(Nc1cccc(Cl)c1)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000015882829 569019228 /nfs/dbraw/zinc/01/92/28/569019228.db2.gz DSNVFILOEBWJKY-UHFFFAOYSA-N 0 0 406.791 4.821 50 0 HJAARN Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2F)cs1 ZINC000012888233 569019737 /nfs/dbraw/zinc/01/97/37/569019737.db2.gz LEXOMYLQHUWJKR-UHFFFAOYSA-N 0 0 408.907 4.662 50 0 HJAARN COc1cccc(NC(=O)CN(C)C(=O)c2oc3c(ccc4ccccc34)c2C)c1 ZINC000012901379 569020761 /nfs/dbraw/zinc/02/07/61/569020761.db2.gz DPJKIWUCKQNGGK-UHFFFAOYSA-N 0 0 402.450 4.614 50 0 HJAARN O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000012905045 569020912 /nfs/dbraw/zinc/02/09/12/569020912.db2.gz MFXXMEJYKFLILG-LJQANCHMSA-N 0 0 415.474 4.692 50 0 HJAARN Cc1ccccc1[C@@H](Sc1nnc(N2CCOCC2)n1C1CC1)c1ccccc1 ZINC000012908301 569021531 /nfs/dbraw/zinc/02/15/31/569021531.db2.gz DMBCEJOAKXMTSL-NRFANRHFSA-N 0 0 406.555 4.640 50 0 HJAARN C[C@@H](NC(=O)Cc1cccc2ccccc21)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000012908621 569021597 /nfs/dbraw/zinc/02/15/97/569021597.db2.gz MKQRMZMRWNKUQB-CQSZACIVSA-N 0 0 400.400 4.545 50 0 HJAARN Cc1noc([C@H](C)Sc2nc3scc(-c4ccc(C)c(C)c4)c3c(=O)n2C)n1 ZINC000012914079 569022069 /nfs/dbraw/zinc/02/20/69/569022069.db2.gz QNNYARHKOSAJCA-LBPRGKRZSA-N 0 0 412.540 4.824 50 0 HJAARN O=S(=O)(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1ccccc1Br ZINC000012914679 569022132 /nfs/dbraw/zinc/02/21/32/569022132.db2.gz UQFPOPAJWGGNBX-MRXNPFEDSA-N 0 0 400.725 4.532 50 0 HJAARN CN(Cc1ccc(Br)cc1)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000012917750 569022635 /nfs/dbraw/zinc/02/26/35/569022635.db2.gz YKTONPQGRRTUDK-UHFFFAOYSA-N 0 0 401.226 4.810 50 0 HJAARN COc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c(OC)c1OC ZINC000012918400 569022674 /nfs/dbraw/zinc/02/26/74/569022674.db2.gz SUDBNVONHICSBG-UHFFFAOYSA-N 0 0 424.478 4.512 50 0 HJAARN Cc1ccc(OCC(=O)Nc2ccc(-c3nccs3)cc2)c(Br)c1 ZINC000012927146 569023936 /nfs/dbraw/zinc/02/39/36/569023936.db2.gz LHSGLEKGPMTNRN-UHFFFAOYSA-N 0 0 403.301 4.899 50 0 HJAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Oc1ccc(F)c2c1C(=O)C[C@H]2C ZINC000012931404 569024801 /nfs/dbraw/zinc/02/48/01/569024801.db2.gz GHRYCIHXCBOCAG-NEPJUHHUSA-N 0 0 405.853 4.892 50 0 HJAARN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C ZINC000016031303 569027919 /nfs/dbraw/zinc/02/79/19/569027919.db2.gz DKFSENSUQISSIR-SGTLLEGYSA-N 0 0 417.502 4.563 50 0 HJAARN O=C(C[C@H](c1cccc2ccccc21)n1cccc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000575443368 569028348 /nfs/dbraw/zinc/02/83/48/569028348.db2.gz QOWFWBDEKGRBJK-QQSVUBKYSA-N 0 0 402.538 4.774 50 0 HJAARN CC(C)(C)NC(=O)C(C)(C)N(CCc1c[nH]c2ccccc12)C(=O)c1ccccc1 ZINC000575443654 569028495 /nfs/dbraw/zinc/02/84/95/569028495.db2.gz GRAXZNVNIHDCNM-UHFFFAOYSA-N 0 0 405.542 4.546 50 0 HJAARN Cc1ccc(OC(=O)C2CCN(C(=O)c3ccccc3C)CC2)c(Br)c1 ZINC000012940894 569028581 /nfs/dbraw/zinc/02/85/81/569028581.db2.gz RGMHCRFTHCKLRB-UHFFFAOYSA-N 0 0 416.315 4.524 50 0 HJAARN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ncc(Cl)cc2Cl)cc1 ZINC000012943783 569028887 /nfs/dbraw/zinc/02/88/87/569028887.db2.gz RXNIQYUDULLJDN-GOSISDBHSA-N 0 0 408.329 4.953 50 0 HJAARN CCOC(=O)c1cc2cc(C(=O)N(C)Cc3ccc(C(F)(F)F)cc3)ccc2[nH]1 ZINC000012945196 569029026 /nfs/dbraw/zinc/02/90/26/569029026.db2.gz BCKLBDGUEMFSCU-UHFFFAOYSA-N 0 0 404.388 4.636 50 0 HJAARN C[C@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000012946122 569029120 /nfs/dbraw/zinc/02/91/20/569029120.db2.gz PYWCDIVUJZQHNU-SELVFMLMSA-N 0 0 409.574 4.652 50 0 HJAARN Cc1oc(-c2cccs2)nc1CC(=O)N(C)CC(=O)Nc1cccc2ccccc21 ZINC000012946189 569029122 /nfs/dbraw/zinc/02/91/22/569029122.db2.gz KUPXBCLHIIAENV-UHFFFAOYSA-N 0 0 419.506 4.504 50 0 HJAARN Cc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1cccnc1 ZINC000012946774 569029180 /nfs/dbraw/zinc/02/91/80/569029180.db2.gz KYUOQWOMFHPUME-RGVLZGJSSA-N 0 0 407.470 4.865 50 0 HJAARN CCOC(=O)c1sc(NC(=O)COc2cc(C)c(Cl)cc2C(C)C)nc1C ZINC000007973965 569031309 /nfs/dbraw/zinc/03/13/09/569031309.db2.gz CPATWJVLUXKJGD-UHFFFAOYSA-N 0 0 410.923 4.731 50 0 HJAARN O=C(NC[C@@H](O)c1ccc(-c2ccsc2)s1)c1ccccc1Br ZINC000575610477 569032390 /nfs/dbraw/zinc/03/23/90/569032390.db2.gz NPXRGHKJCLVQEY-CQSZACIVSA-N 0 0 408.342 4.703 50 0 HJAARN COc1ccc(Cc2nnc(S[C@H](C)c3nnc(-c4cccc(C)c4)o3)o2)cc1 ZINC000026563849 569033626 /nfs/dbraw/zinc/03/36/26/569033626.db2.gz MZGPZATYUQXCOZ-CQSZACIVSA-N 0 0 408.483 4.881 50 0 HJAARN O=C(CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)c1ccc[nH]1 ZINC000006228814 569033629 /nfs/dbraw/zinc/03/36/29/569033629.db2.gz UEYJYZFOXYOXRH-UHFFFAOYSA-N 0 0 408.914 4.950 50 0 HJAARN CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000035372174 569033805 /nfs/dbraw/zinc/03/38/05/569033805.db2.gz BHBAYUNPZRCDLF-UHFFFAOYSA-N 0 0 403.501 4.896 50 0 biogenic HJAARN O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)N1CCN(c2ccccc2O)CC1 ZINC000035414095 569036123 /nfs/dbraw/zinc/03/61/23/569036123.db2.gz DQCXKBBZDKZUQI-VWLOTQADSA-N 0 0 411.505 4.620 50 0 HJAARN CCOc1ccc(CNC(=O)c2nc3ccccc3c(Nc3ccc(F)cc3)n2)cc1 ZINC000035430199 569036913 /nfs/dbraw/zinc/03/69/13/569036913.db2.gz BGBPVEWKJIXKFE-UHFFFAOYSA-N 0 0 416.456 4.841 50 0 HJAARN CCc1ccc(Nc2nc(C(=O)NCc3cccc(OC)c3)nc3ccccc32)cc1 ZINC000035430053 569036939 /nfs/dbraw/zinc/03/69/39/569036939.db2.gz XXKDOTRYJQSCIR-UHFFFAOYSA-N 0 0 412.493 4.874 50 0 HJAARN Cc1cccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(N4CCC(C)CC4)cc3)C2)c1 ZINC000035447472 569037377 /nfs/dbraw/zinc/03/73/77/569037377.db2.gz DCZHQLGIXWQTAF-JOCHJYFZSA-N 0 0 419.569 4.722 50 0 HJAARN O=C(c1ccc(F)c(Cl)c1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000035478167 569038455 /nfs/dbraw/zinc/03/84/55/569038455.db2.gz YKDRGKKXKAQJQU-UHFFFAOYSA-N 0 0 403.816 4.688 50 0 HJAARN Cc1nc2cc(NC(=O)N3Cc4ccccc4[C@@H](c4cnn(C)c4)C3)ccc2s1 ZINC000575619762 569038780 /nfs/dbraw/zinc/03/87/80/569038780.db2.gz PKVPFRRXWAQCKW-LJQANCHMSA-N 0 0 403.511 4.518 50 0 HJAARN Cc1cc(C)n(CC2CCN(C(=O)NC(c3ccccc3)c3ccccc3)CC2)n1 ZINC000090560613 569041129 /nfs/dbraw/zinc/04/11/29/569041129.db2.gz RQTMPWDFVBMNIP-UHFFFAOYSA-N 0 0 402.542 4.711 50 0 HJAARN O=C(Nc1nc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)co1)c1ccsc1 ZINC000090582922 569041264 /nfs/dbraw/zinc/04/12/64/569041264.db2.gz BLCLKYAXKKVASM-UHFFFAOYSA-N 0 0 401.447 4.812 50 0 HJAARN COc1ccc(Cn2c(CCC(=O)Nc3cccc(Cl)c3)nc3cccnc32)cc1 ZINC000006737423 569041585 /nfs/dbraw/zinc/04/15/85/569041585.db2.gz PGKPWUHLZAZPRG-UHFFFAOYSA-N 0 0 420.900 4.713 50 0 HJAARN COc1ccc(Br)c(C(=O)Nc2cccc(-c3cnc4n3CCC4)c2)c1 ZINC000090607215 569041958 /nfs/dbraw/zinc/04/19/58/569041958.db2.gz DTDIUDXWYMOVSY-UHFFFAOYSA-N 0 0 412.287 4.520 50 0 HJAARN COc1ccc(SCC2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000090608258 569042257 /nfs/dbraw/zinc/04/22/57/569042257.db2.gz ATGHARGNYXBVOE-UHFFFAOYSA-N 0 0 405.947 4.758 50 0 HJAARN Cc1ccc(C(=O)[C@H](C)n2c3ccccc3c3nc(-c4ccccc4)nn3c2=O)cc1C ZINC000035510878 569043005 /nfs/dbraw/zinc/04/30/05/569043005.db2.gz VSMJHCRNJXDKTF-SFHVURJKSA-N 0 0 422.488 4.772 50 0 HJAARN O=C(Nc1ccc(Br)cc1)c1ccc(-c2cc(N3CCCC3)ncn2)cc1 ZINC000035511781 569043097 /nfs/dbraw/zinc/04/30/97/569043097.db2.gz ILGBIUCWADNTQB-UHFFFAOYSA-N 0 0 423.314 4.759 50 0 HJAARN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)cc3C)c2)cc1 ZINC000006340395 569043461 /nfs/dbraw/zinc/04/34/61/569043461.db2.gz IYNRXJKQNKBAJD-UHFFFAOYSA-N 0 0 408.523 4.689 50 0 HJAARN COc1ccc(NC(=O)c2c(C)onc2-c2cccc(Br)c2)cc1OC ZINC000035536346 569043541 /nfs/dbraw/zinc/04/35/41/569043541.db2.gz OSLJLXWMBRZZKJ-UHFFFAOYSA-N 0 0 417.259 4.682 50 0 HJAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(C(F)(F)F)cc1 ZINC000006330159 569043715 /nfs/dbraw/zinc/04/37/15/569043715.db2.gz IIFWVLFYNFFINK-UHFFFAOYSA-N 0 0 400.404 4.943 50 0 HJAARN COc1ccc(NC(=O)CCc2c(-c3ccc(F)cc3)nc3ccccn32)cc1OC ZINC000035527095 569043828 /nfs/dbraw/zinc/04/38/28/569043828.db2.gz TVIIXTDZJURQOH-UHFFFAOYSA-N 0 0 419.456 4.729 50 0 HJAARN O=c1c2sccc2n2c(SCc3ccc(F)cc3)nnc2n1Cc1ccccc1 ZINC000035529257 569044143 /nfs/dbraw/zinc/04/41/43/569044143.db2.gz LORYDRYBCBOBPA-UHFFFAOYSA-N 0 0 422.510 4.585 50 0 HJAARN S=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl)NC[C@@H]1CCCO1 ZINC000006335548 569044202 /nfs/dbraw/zinc/04/42/02/569044202.db2.gz TZBOBUYUGJHYDP-MAUKXSAKSA-N 0 0 413.974 4.596 50 0 HJAARN Cn1nc(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)c2ccccc2c1=O ZINC000006333235 569044237 /nfs/dbraw/zinc/04/42/37/569044237.db2.gz QIUAWWHLMIREPI-UHFFFAOYSA-N 0 0 418.522 4.607 50 0 HJAARN Cc1sc(-c2noc(C3CC3)n2)cc1NC(=O)Cc1ccc(Br)cc1 ZINC000035554989 569044610 /nfs/dbraw/zinc/04/46/10/569044610.db2.gz GTPPGFWRNHLNRM-UHFFFAOYSA-N 0 0 418.316 4.928 50 0 HJAARN CCN(c1cccc(C)c1)S(=O)(=O)c1cc(-c2noc(C3CCCC3)n2)cs1 ZINC000035557470 569044759 /nfs/dbraw/zinc/04/47/59/569044759.db2.gz WNRWVJVABXDVIU-UHFFFAOYSA-N 0 0 417.556 4.979 50 0 HJAARN COc1ccc(CNC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)cc1 ZINC000006378076 569045588 /nfs/dbraw/zinc/04/55/88/569045588.db2.gz YFMNUVZBHASGFZ-UHFFFAOYSA-N 0 0 409.486 4.532 50 0 HJAARN C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000035600923 569046245 /nfs/dbraw/zinc/04/62/45/569046245.db2.gz DQZANKNRDMSXIM-ZJUUUORDSA-N 0 0 402.766 4.960 50 0 HJAARN COc1cccc(CN(C[C@H]2CC(c3ccccc3Cl)=NO2)C(=O)C2CCC2)c1 ZINC000035615731 569046452 /nfs/dbraw/zinc/04/64/52/569046452.db2.gz GFWQIQSPGJINCP-LJQANCHMSA-N 0 0 412.917 4.671 50 0 HJAARN CCc1cccc(C)c1-n1nnnc1C1(Nc2ccc(OC)c(OC)c2)CCCCC1 ZINC000035622594 569046615 /nfs/dbraw/zinc/04/66/15/569046615.db2.gz JLIPYSFBDFKWOQ-UHFFFAOYSA-N 0 0 421.545 4.822 50 0 HJAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)/C=C/c1cccs1)CC2 ZINC000016002298 569046771 /nfs/dbraw/zinc/04/67/71/569046771.db2.gz LDPCVTMQYSSUSX-LTDXDOBXSA-N 0 0 405.519 4.953 50 0 HJAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000012983490 569047602 /nfs/dbraw/zinc/04/76/02/569047602.db2.gz RUKHNPKWBOUXDC-VLIAUNLRSA-N 0 0 413.315 4.591 50 0 HJAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)/C=C/c1ccc(OC(F)(F)F)cc1 ZINC000025274989 569047770 /nfs/dbraw/zinc/04/77/70/569047770.db2.gz WJLLLURBBOFQDN-JXMROGBWSA-N 0 0 421.375 4.680 50 0 HJAARN O=C(/C=C/c1ccc(Br)s1)Nc1ccc(Oc2cnccn2)cc1 ZINC000040107171 569048118 /nfs/dbraw/zinc/04/81/18/569048118.db2.gz ZZDUOZCOIWJYHQ-SOFGYWHQSA-N 0 0 402.273 4.745 50 0 HJAARN O=C(Nc1ccnn1Cc1ccccc1Br)c1ccc(OC(F)F)cc1 ZINC000013003916 569049385 /nfs/dbraw/zinc/04/93/85/569049385.db2.gz ZFCZEFNJXPAPOT-UHFFFAOYSA-N 0 0 422.229 4.548 50 0 HJAARN CC(=O)c1cccc(NC(=O)[C@H]2CC(=O)Nc3c(C)c(-c4ccc(C)cc4)nn32)c1 ZINC000035684480 569049436 /nfs/dbraw/zinc/04/94/36/569049436.db2.gz DQGHJWPQGXYWIA-LJQANCHMSA-N 0 0 402.454 4.541 50 0 HJAARN CC(=O)N[C@@H](C)c1ccc(C2=NNC(=Nc3cccc(Cl)c3C)SC2)cc1 ZINC000013007075 569049724 /nfs/dbraw/zinc/04/97/24/569049724.db2.gz XGNAKOBDVJVJBP-ZDUSSCGKSA-N 0 0 400.935 4.765 50 0 HJAARN Cc1c(-c2ccc(C)cc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000035684972 569050011 /nfs/dbraw/zinc/05/00/11/569050011.db2.gz ONAOZWMLCNKCEP-MRXNPFEDSA-N 0 0 414.387 4.756 50 0 HJAARN Cc1c(-c2ccc(F)cc2)nn2c1NC(=O)C[C@@H]2C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000035685005 569050076 /nfs/dbraw/zinc/05/00/76/569050076.db2.gz UWJUDWIGWYDSOA-OAHLLOKOSA-N 0 0 418.350 4.586 50 0 HJAARN O=C(Cc1ccccc1Cl)Nc1ccnn1Cc1ccccc1Br ZINC000013011505 569050573 /nfs/dbraw/zinc/05/05/73/569050573.db2.gz ZMGBBWCVRUFBRP-UHFFFAOYSA-N 0 0 404.695 4.529 50 0 HJAARN CN(C(=O)CSc1n[nH]c(-c2ccccc2)n1)C(c1ccccc1)c1ccccc1 ZINC000013013197 569050615 /nfs/dbraw/zinc/05/06/15/569050615.db2.gz CWFYBFLGFXWFNC-UHFFFAOYSA-N 0 0 414.534 4.812 50 0 HJAARN CCCCOC(=O)[C@H](C)Oc1ccc2c(c1)occ(Oc1ccc(OC)cc1)c2=O ZINC000001770117 569052330 /nfs/dbraw/zinc/05/23/30/569052330.db2.gz COCYJEGPBPZQEY-HNNXBMFYSA-N 0 0 412.438 4.705 50 0 biogenic HJAARN COc1ccc(C(=O)[C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN32)cc1 ZINC000025578166 569053863 /nfs/dbraw/zinc/05/38/63/569053863.db2.gz ITRRDDIVDBXDFN-GCJKJVERSA-N 0 0 408.841 4.694 50 0 HJAARN CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2)cc1 ZINC000239284856 569054091 /nfs/dbraw/zinc/05/40/91/569054091.db2.gz CEWBLLUBUURYNV-VWNXMTODSA-N 0 0 404.897 5.981 50 0 HJAARN CCN(c1ccsc1C(=O)N[C@H]1CCCC[C@H]1C)S(=O)(=O)c1ccc(C)cc1 ZINC000245247960 569055393 /nfs/dbraw/zinc/05/53/93/569055393.db2.gz ZVZHTHCMYIYRAK-AEFFLSMTSA-N 0 0 420.600 4.580 50 0 HJAARN O=C1[C@H]2[C@H](C(=O)N1CCc1ccccc1)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000245326994 569056013 /nfs/dbraw/zinc/05/60/13/569056013.db2.gz NMCHFINFRORNIA-QEGGNFSNSA-N 0 0 407.513 4.968 50 0 HJAARN CCCSc1nc2nc3c(cc2c(=O)n1-c1ccc(C)cc1)CO[C@](C)(CC)C3 ZINC000001833639 569056391 /nfs/dbraw/zinc/05/63/91/569056391.db2.gz TVAWZFSGDANXRV-HSZRJFAPSA-N 0 0 409.555 4.833 50 0 HJAARN CC(C)CCSc1nnc2n1c1sc3c(c1c(=O)n2C)CC[C@@H](C(C)(C)C)C3 ZINC000001837629 569056436 /nfs/dbraw/zinc/05/64/36/569056436.db2.gz UHLUGDTXKZWCAC-CYBMUJFWSA-N 0 0 418.632 4.932 50 0 HJAARN CCc1ccc(NC(=O)[C@H](C)Sc2n[nH]c(-c3cc(Cl)ccc3OC)n2)cc1 ZINC000006463742 569057759 /nfs/dbraw/zinc/05/77/59/569057759.db2.gz FYIDWCDVMBQWIV-LBPRGKRZSA-N 0 0 416.934 4.815 50 0 HJAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43CO)[C@H]1CC[C@H]2OC(=O)c1ccccc1 ZINC000252428483 569057871 /nfs/dbraw/zinc/05/78/71/569057871.db2.gz HPNPWGLKVZAMPM-RFNZRWNMSA-N 0 0 410.554 4.508 50 0 HJAARN CCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)c1ccc(F)cc1 ZINC000035765212 569058041 /nfs/dbraw/zinc/05/80/41/569058041.db2.gz KHUHZIRXEGPPRI-UHFFFAOYSA-N 0 0 422.500 4.542 50 0 HJAARN CC[C@H](C)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)C(C)(C)C ZINC000035769637 569058216 /nfs/dbraw/zinc/05/82/16/569058216.db2.gz GSAMHBVGUMEXJW-INIZCTEOSA-N 0 0 421.534 4.767 50 0 HJAARN O=C(NC1CC1)c1ccc(CN(C(=O)c2csc(-c3ccsc3)n2)C2CC2)cc1 ZINC000026897791 569059989 /nfs/dbraw/zinc/05/99/89/569059989.db2.gz BIEZOCJXAWJRRP-UHFFFAOYSA-N 0 0 423.563 4.569 50 0 HJAARN CC(C)OC(=O)[C@H](C)Oc1ccc2c(c1)occ(Oc1ccccc1Cl)c2=O ZINC000000950720 569060266 /nfs/dbraw/zinc/06/02/66/569060266.db2.gz OTZPGOPXAWXEIK-ZDUSSCGKSA-N 0 0 402.830 4.958 50 0 biogenic HJAARN COC(=O)Cc1c(C)c2ccc(OCc3cccc(C(F)(F)F)c3)c(C)c2oc1=O ZINC000002094740 569060451 /nfs/dbraw/zinc/06/04/51/569060451.db2.gz RZLONORSWULDMA-UHFFFAOYSA-N 0 0 420.383 4.723 50 0 biogenic HJAARN CCOc1ccc2nc(NC(=O)c3cc(Br)ccc3OC)sc2c1 ZINC000002936501 569060519 /nfs/dbraw/zinc/06/05/19/569060519.db2.gz MANQMDJDNFUGAM-UHFFFAOYSA-N 0 0 407.289 4.718 50 0 HJAARN Cc1cc(C)n(-c2nc(N=NC(C)c3ccccc3)nc(Nc3ccc(C)cc3)n2)n1 ZINC000252622306 569060921 /nfs/dbraw/zinc/06/09/21/569060921.db2.gz NSCASKKRAARCAF-UHFFFAOYSA-N 0 0 412.501 4.562 50 0 HJAARN CC(=O)Nc1ccc(-c2csc(NC(=O)COc3ccc(Cl)c(C)c3)n2)cc1 ZINC000006507433 569061770 /nfs/dbraw/zinc/06/17/70/569061770.db2.gz MPGFIIQTTITVEX-UHFFFAOYSA-N 0 0 415.902 4.748 50 0 HJAARN COCc1c2ccccc2oc1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000006509941 569061983 /nfs/dbraw/zinc/06/19/83/569061983.db2.gz NCAAALZTYQFZBC-UHFFFAOYSA-N 0 0 416.481 4.816 50 0 HJAARN CCOc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2cccc(C)c2C)cc1 ZINC000064450217 569062831 /nfs/dbraw/zinc/06/28/31/569062831.db2.gz PUFILIPHUGGRAZ-IBGZPJMESA-N 0 0 403.482 4.505 50 0 HJAARN Cc1ccc(NC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3C)C2)cc1 ZINC000064452543 569062972 /nfs/dbraw/zinc/06/29/72/569062972.db2.gz VQFORKGWLYSGCS-IBGZPJMESA-N 0 0 402.498 4.741 50 0 HJAARN CCCC(=O)N1CCN(c2nc([C@H](C)CC)nc3sc4c(c32)CC[C@@H](C)C4)CC1 ZINC000035865400 569063243 /nfs/dbraw/zinc/06/32/43/569063243.db2.gz LEUXQBJWGCFMGU-HZPDHXFCSA-N 0 0 414.619 4.778 50 0 HJAARN CC(C)(C)NC(=O)Nc1c(N)n(-c2cc(F)ccc2F)nc1-c1ccc(Cl)cc1 ZINC000035868155 569063442 /nfs/dbraw/zinc/06/34/42/569063442.db2.gz QYXDJPNQARVDGC-UHFFFAOYSA-N 0 0 419.863 4.973 50 0 HJAARN COc1ccc(C)cc1Nc1c(C(=O)N2CCSCC2)cnc2ccc(F)cc21 ZINC000064471719 569063485 /nfs/dbraw/zinc/06/34/85/569063485.db2.gz HXXWRIBFOJPVLX-UHFFFAOYSA-N 0 0 411.502 4.624 50 0 HJAARN COc1cc2nc(C(=O)N3CCCCC3)cc(Nc3ccc(C)cc3)c2cc1OC ZINC000064474041 569063622 /nfs/dbraw/zinc/06/36/22/569063622.db2.gz KBMLUSQVNBDUQY-UHFFFAOYSA-N 0 0 405.498 4.930 50 0 HJAARN O=C(NCc1ccccn1)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000006549377 569064853 /nfs/dbraw/zinc/06/48/53/569064853.db2.gz SQKKFWDRZFYZFY-UHFFFAOYSA-N 0 0 402.885 4.577 50 0 HJAARN O=C(CSc1nnc(Nc2ccccc2)s1)Nc1ccc(OC(F)F)cc1 ZINC000006559535 569065703 /nfs/dbraw/zinc/06/57/03/569065703.db2.gz RGYAJTUTYYTMDL-UHFFFAOYSA-N 0 0 408.455 4.614 50 0 HJAARN O=C(COC(=O)c1ccc2ccccc2n1)Nc1c(Cl)cccc1C(F)(F)F ZINC000006560562 569065777 /nfs/dbraw/zinc/06/57/77/569065777.db2.gz ILFCISQKWXRPEP-UHFFFAOYSA-N 0 0 408.763 4.703 50 0 HJAARN C[C@@H](c1ccc(F)cc1)N1Cc2cc(NC(=O)c3ccccc3F)ccc2OCC1=O ZINC000035909673 569065886 /nfs/dbraw/zinc/06/58/86/569065886.db2.gz XWQWKBPTJFOLIA-HNNXBMFYSA-N 0 0 422.431 4.699 50 0 HJAARN O=C(CCNC(=O)c1ccccc1Cl)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000006566857 569066223 /nfs/dbraw/zinc/06/62/23/569066223.db2.gz XQPWUBWYPIZKAT-UHFFFAOYSA-N 0 0 418.884 4.642 50 0 HJAARN O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1nc2ccc(Cl)cc2s1 ZINC000006566641 569066301 /nfs/dbraw/zinc/06/63/01/569066301.db2.gz VJGWHLFMJMHZMF-UHFFFAOYSA-N 0 0 408.310 4.752 50 0 HJAARN Nc1c2c(nn1Cc1ccccc1)nc(NCCc1ccccc1)nc2-c1ccccc1 ZINC000035929414 569066604 /nfs/dbraw/zinc/06/66/04/569066604.db2.gz OQXFPENYYFJOFA-UHFFFAOYSA-N 0 0 420.520 4.778 50 0 HJAARN C[C@H]1CSC(N(C(=O)c2cncc(Br)c2)c2ccc(Cl)cc2)=N1 ZINC000006578566 569066946 /nfs/dbraw/zinc/06/69/46/569066946.db2.gz LLWWETXVFYZCIT-JTQLQIEISA-N 0 0 410.724 4.636 50 0 HJAARN CC(=O)N1N=C(c2ccc(F)cc2)O[C@@H]1c1cccc(NC(=O)c2ccc(C)cc2)c1 ZINC000064567860 569067475 /nfs/dbraw/zinc/06/74/75/569067475.db2.gz MSQVNNJKFKONOY-XMMPIXPASA-N 0 0 417.440 4.626 50 0 HJAARN COc1cccc2c(Nc3ccc(N(C)C)cc3)cc(C(=O)N3CCCCC3)nc12 ZINC000064568491 569067611 /nfs/dbraw/zinc/06/76/11/569067611.db2.gz RUTLRKOENYRZIW-UHFFFAOYSA-N 0 0 404.514 4.679 50 0 HJAARN COc1ccc2c(c1)nc(SCC(=O)NCC(F)(F)F)cc2-c1ccccc1 ZINC000006589450 569068072 /nfs/dbraw/zinc/06/80/72/569068072.db2.gz SJKMQMOKVOWVRC-UHFFFAOYSA-N 0 0 406.429 4.681 50 0 HJAARN COC(=O)CSC1=N/C(=C\c2ccc(C(C)C)cc2)C(=O)N1c1ccc(C)cc1 ZINC000006590901 569068731 /nfs/dbraw/zinc/06/87/31/569068731.db2.gz ORBZEJAMNMTQFZ-MOSHPQCFSA-N 0 0 408.523 4.768 50 0 HJAARN CCn1c2cc(NC(=O)Nc3cccc(C)c3)c(N3CCCCC3)cc2n(CC)c1=O ZINC000064591064 569069261 /nfs/dbraw/zinc/06/92/61/569069261.db2.gz WJUMBILLOZWFSR-UHFFFAOYSA-N 0 0 421.545 4.786 50 0 HJAARN Cc1c(Cl)cccc1-n1ccn2c(SCc3ccc(Cl)cc3)nnc2c1=O ZINC000064593746 569069552 /nfs/dbraw/zinc/06/95/52/569069552.db2.gz KHIICUJPGIMCGQ-UHFFFAOYSA-N 0 0 417.321 4.788 50 0 HJAARN Cc1ccc(C)c(CSc2nnc3c(=O)n(-c4ccc(C(C)C)cc4)ccn23)c1 ZINC000064593919 569069590 /nfs/dbraw/zinc/06/95/90/569069590.db2.gz FLHOTOKZEHWULN-UHFFFAOYSA-N 0 0 404.539 4.913 50 0 HJAARN Cc1c(C(=O)Nc2cn(CC(C)C)nc2C(F)F)cnn1-c1cccc(Cl)c1 ZINC000089544946 569070126 /nfs/dbraw/zinc/07/01/26/569070126.db2.gz YWDLFRPPPMYSEA-UHFFFAOYSA-N 0 0 407.852 4.877 50 0 HJAARN Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)CNC(=O)Cc1cccc2ccccc21 ZINC000089558867 569070227 /nfs/dbraw/zinc/07/02/27/569070227.db2.gz UWZMZQIPONNZOZ-QGZVFWFLSA-N 0 0 423.582 4.606 50 0 HJAARN Cc1cc(C(=O)N2C[C@@H](O)C[C@H]2c2ccc(C(F)(F)F)cc2)c2ccccc2n1 ZINC000089582924 569070596 /nfs/dbraw/zinc/07/05/96/569070596.db2.gz HVSBGHYXKKBDPO-JXFKEZNVSA-N 0 0 400.400 4.510 50 0 HJAARN O=c1[nH]c(=O)c2c([nH]1)Nc1ccc3ccccc3c1[C@H]2c1ccc(Cl)cc1Cl ZINC000004623536 569071411 /nfs/dbraw/zinc/07/14/11/569071411.db2.gz ZKUYRJHBTPQWNY-QGZVFWFLSA-N 0 0 410.260 4.760 50 0 HJAARN COc1ccc(-c2nc(NCc3ccco3)n(C(=O)c3ccccc3Cl)n2)cc1 ZINC000004828171 569071544 /nfs/dbraw/zinc/07/15/44/569071544.db2.gz SBBDHNYSNRKCHZ-UHFFFAOYSA-N 0 0 408.845 4.501 50 0 HJAARN COC(=O)c1c(C)c2ccccc2nc1COC(=O)c1cc(F)c(F)cc1Cl ZINC000006607997 569071821 /nfs/dbraw/zinc/07/18/21/569071821.db2.gz HBTFBHSXNPHCJT-UHFFFAOYSA-N 0 0 405.784 4.618 50 0 HJAARN Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1CCc1ccccc1 ZINC000006608678 569071970 /nfs/dbraw/zinc/07/19/70/569071970.db2.gz DNPPVHKIWDMZJU-UHFFFAOYSA-N 0 0 407.495 4.966 50 0 HJAARN CCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C(C)C ZINC000035980900 569071973 /nfs/dbraw/zinc/07/19/73/569071973.db2.gz HQXIJRCYDYDATR-UHFFFAOYSA-N 0 0 410.493 4.958 50 0 HJAARN COc1ccc(C(=O)[C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 ZINC000005670418 569071986 /nfs/dbraw/zinc/07/19/86/569071986.db2.gz ITRRDDIVDBXDFN-PGRDOPGGSA-N 0 0 408.841 4.694 50 0 HJAARN CCOc1cc(/C=C2/N=C(c3ccc4ccccc4c3)OC2=O)ccc1OC(C)=O ZINC000002058387 569072476 /nfs/dbraw/zinc/07/24/76/569072476.db2.gz PMGBDHVXBYHFNZ-UDWIEESQSA-N 0 0 401.418 4.508 50 0 HJAARN Cc1cc(OCC(=O)OCC(=O)Nc2cccc(Cl)c2Cl)ccc1Cl ZINC000006610785 569074241 /nfs/dbraw/zinc/07/42/41/569074241.db2.gz SVVORGBVRDCKJL-UHFFFAOYSA-N 0 0 402.661 4.516 50 0 HJAARN CCOc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1OCC ZINC000006617528 569074764 /nfs/dbraw/zinc/07/47/64/569074764.db2.gz NQUOGGWESJOCAK-UHFFFAOYSA-N 0 0 420.513 4.721 50 0 HJAARN COC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(CC2CCCCC2)C(=O)c2ccccc2)c1C ZINC000036004265 569075856 /nfs/dbraw/zinc/07/58/56/569075856.db2.gz GKRIYGAZJSTEPG-GOSISDBHSA-N 0 0 424.541 4.712 50 0 HJAARN Cc1nn(-c2cccc(F)c2)c2sc(C(=O)OCc3ccc4c(c3)OCO4)cc12 ZINC000064666334 569078387 /nfs/dbraw/zinc/07/83/87/569078387.db2.gz UVYBUCWKIMRKQC-UHFFFAOYSA-N 0 0 410.426 4.620 50 0 HJAARN CC[C@H](C)NS(=O)(=O)c1cc(-c2nc(-c3cccc(Cl)c3)cs2)n(C)c1C ZINC000064668156 569078662 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CCN1c2cc(C(=O)Nc3ccc(OC)c(OC)c3)ccc2Oc2ccccc2C1=O ZINC000064677292 569081437 /nfs/dbraw/zinc/08/14/37/569081437.db2.gz HINADQMYNJHXHO-UHFFFAOYSA-N 0 0 418.449 4.729 50 0 HJAARN O=C(Nc1ccccc1)c1ccc(N2CCCN(Cc3ccc(F)cc3)C2=O)cc1 ZINC000064687941 569082267 /nfs/dbraw/zinc/08/22/67/569082267.db2.gz XUZZKJHXSXMDDD-UHFFFAOYSA-N 0 0 403.457 4.910 50 0 HJAARN CC(C)[C@@H](NC(=O)Cc1cccc2ccccc21)C(=O)Nc1cccc2ncccc21 ZINC000006654025 569082747 /nfs/dbraw/zinc/08/27/47/569082747.db2.gz PSAPSPZGRBIHNG-RUZDIDTESA-N 0 0 411.505 4.710 50 0 HJAARN O=C(NCc1ccco1)c1coc(CN(Cc2ccccc2)Cc2ccc(F)cc2)n1 ZINC000036072302 569086475 /nfs/dbraw/zinc/08/64/75/569086475.db2.gz QQKUIHVUMDQASK-UHFFFAOYSA-N 0 0 419.456 4.539 50 0 HJAARN CC(C)N(Cc1nc(C(=O)NCc2ccco2)co1)Cc1ccc(C(C)(C)C)cc1 ZINC000036082990 569087396 /nfs/dbraw/zinc/08/73/96/569087396.db2.gz RLEHGJLCBGVAJX-UHFFFAOYSA-N 0 0 409.530 4.906 50 0 HJAARN CCOc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3OC)no2)cc1 ZINC000064747575 569088833 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4.699 50 0 HJAARN COc1cccc(CCC(=O)Nc2ccc(OC)c(NC(=O)c3cccc(F)c3)c2)c1 ZINC000036390600 569165794 /nfs/dbraw/zinc/16/57/94/569165794.db2.gz GIUNGZYFDZIHHU-UHFFFAOYSA-N 0 0 422.456 4.667 50 0 HJAARN CCc1cccc(N2C(=O)c3ccccc3C[C@]2(C)C(=O)NCc2ccc(C)cc2)c1 ZINC000065074913 569169337 /nfs/dbraw/zinc/16/93/37/569169337.db2.gz RORHVYHVHCNLCF-HHHXNRCGSA-N 0 0 412.533 4.835 50 0 HJAARN O=C(COC(=O)COc1ccc2ccccc2c1)Nc1cc(Cl)ccc1Cl ZINC000006886319 569169508 /nfs/dbraw/zinc/16/95/08/569169508.db2.gz KKTHBTXXIOUNBU-UHFFFAOYSA-N 0 0 404.249 4.707 50 0 HJAARN COc1ccc(-c2cn3c(CC(=O)Nc4cc(C)ccc4C)csc3n2)cc1OC ZINC000065079495 569171063 /nfs/dbraw/zinc/17/10/63/569171063.db2.gz ORUOBUMYSZKFQZ-UHFFFAOYSA-N 0 0 421.522 4.878 50 0 HJAARN O=C(COc1cccc(NC(=O)c2ccco2)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000036398496 569171343 /nfs/dbraw/zinc/17/13/43/569171343.db2.gz XUOMGPXRHSLYSQ-UHFFFAOYSA-N 0 0 405.237 4.856 50 0 HJAARN O=C(NCc1ccccc1)c1ncoc1-c1ccccc1C(=O)Nc1cccc(F)c1 ZINC000065080195 569171465 /nfs/dbraw/zinc/17/14/65/569171465.db2.gz IIZAYPIPGAKHAD-UHFFFAOYSA-N 0 0 415.424 4.663 50 0 HJAARN O=C(NC1CCN(C(=O)c2ccc(-c3ccccc3F)s2)CC1)c1ccccc1 ZINC000036398563 569171554 /nfs/dbraw/zinc/17/15/54/569171554.db2.gz ZKZJXMBLGPCCJY-UHFFFAOYSA-N 0 0 408.498 4.589 50 0 HJAARN CCOc1ccccc1C(=O)N[C@H]1CCCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)C1 ZINC000169776605 569172804 /nfs/dbraw/zinc/17/28/04/569172804.db2.gz DEKKCJRNJQILNX-SFHVURJKSA-N 0 0 424.932 4.528 50 0 HJAARN O=C(Nc1cccc(Br)c1)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000065085158 569173620 /nfs/dbraw/zinc/17/36/20/569173620.db2.gz AGFSPPDQZFRNGQ-UHFFFAOYSA-N 0 0 422.325 4.596 50 0 HJAARN Cc1ccc(S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)s2)cc1 ZINC000065085372 569173645 /nfs/dbraw/zinc/17/36/45/569173645.db2.gz RRXIXPFRAQDYAP-UHFFFAOYSA-N 0 0 409.891 4.934 50 0 HJAARN CCOc1ccc(CNC(=O)c2ccc(C[S@@](=O)c3ccc(Cl)cc3)o2)cc1 ZINC000006895584 569175326 /nfs/dbraw/zinc/17/53/26/569175326.db2.gz YVYIWZXEFPZPES-NDEPHWFRSA-N 0 0 417.914 4.570 50 0 HJAARN CC[C@H](Sc1nnc(C)n2c3cc(C)oc3cc12)C(=O)Nc1cccc(OC)c1 ZINC000006894178 569175609 /nfs/dbraw/zinc/17/56/09/569175609.db2.gz SFSZGRBAILRJLW-IBGZPJMESA-N 0 0 410.499 4.610 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)c2oc3ccc4c(c3c2C)C(=O)CC(C)(C)O4)cc1 ZINC000008588963 569175700 /nfs/dbraw/zinc/17/57/00/569175700.db2.gz LMSBDYGXXNYBRV-UHFFFAOYSA-N 0 0 406.438 4.696 50 0 HJAARN COc1ccccc1NC(=O)[C@H](C)Sc1nnc(Nc2ccccc2F)s1 ZINC000006899203 569175959 /nfs/dbraw/zinc/17/59/59/569175959.db2.gz VYZDEHIUWYJZRT-NSHDSACASA-N 0 0 404.492 4.549 50 0 HJAARN Cc1nc(-c2cccc(-c3noc(CNC(=O)Cc4ccc(Cl)cc4)n3)c2)cs1 ZINC000065098152 569177027 /nfs/dbraw/zinc/17/70/27/569177027.db2.gz NLYCTBJTDDBRGH-UHFFFAOYSA-N 0 0 424.913 4.681 50 0 HJAARN Cc1c(C(=O)NCc2cccnc2)oc2ccc3c(c12)[C@H](O)CC1(CCCCC1)O3 ZINC000006901040 569177740 /nfs/dbraw/zinc/17/77/40/569177740.db2.gz MPEJQAUQLOZYNR-QGZVFWFLSA-N 0 0 406.482 4.585 50 0 biogenic HJAARN O=C(NCCC1=CCCCC1)C1CCN(c2nccnc2Sc2ccccc2)CC1 ZINC000065102654 569178580 /nfs/dbraw/zinc/17/85/80/569178580.db2.gz KRTHSGBTAPYUII-UHFFFAOYSA-N 0 0 422.598 4.851 50 0 HJAARN CCc1csc(-c2csc(S(=O)(=O)N[C@@H]3CCCc4ccccc43)c2)n1 ZINC000065116796 569179981 /nfs/dbraw/zinc/17/99/81/569179981.db2.gz IZNXKPRUGAKTGL-QGZVFWFLSA-N 0 0 404.582 4.790 50 0 HJAARN Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000006915701 569181110 /nfs/dbraw/zinc/18/11/10/569181110.db2.gz NAURFIPGAKASSI-UHFFFAOYSA-N 0 0 401.462 4.638 50 0 HJAARN CCOc1ccc(CCNC(=O)c2ccc3nc(CC)c(CC)nc3c2)cc1OCC ZINC000006917909 569181388 /nfs/dbraw/zinc/18/13/88/569181388.db2.gz QMVHSJDHZVQIRU-UHFFFAOYSA-N 0 0 421.541 4.525 50 0 HJAARN CCc1ccccc1NC(=O)c1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1F ZINC000006919348 569181656 /nfs/dbraw/zinc/18/16/56/569181656.db2.gz YDGSGACYVBUKRU-UHFFFAOYSA-N 0 0 418.534 4.594 50 0 HJAARN Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)NCc1ccc2[nH]c(C)c(C)c2c1 ZINC000065118049 569181927 /nfs/dbraw/zinc/18/19/27/569181927.db2.gz ABYIJKKFUKXJMQ-UHFFFAOYSA-N 0 0 408.452 4.795 50 0 HJAARN Cc1cccc(NC(=O)N2CCC[C@@H](CCC(=O)NCc3cc(F)cc(F)c3)C2)c1 ZINC000065136536 569183372 /nfs/dbraw/zinc/18/33/72/569183372.db2.gz QSLIMBOGPKDCIW-KRWDZBQOSA-N 0 0 415.484 4.614 50 0 HJAARN Cc1cc(C)cc(C(=O)N2CCC[C@@H](c3ccnc(Nc4ccccc4F)n3)C2)c1 ZINC000065148512 569184385 /nfs/dbraw/zinc/18/43/85/569184385.db2.gz YFONMINSYIAGJG-GOSISDBHSA-N 0 0 404.489 4.996 50 0 HJAARN CC1=C(C(=O)Nc2c(F)cc(F)cc2Br)C2(CCCCCC2)OC1=O ZINC000006933117 569184525 /nfs/dbraw/zinc/18/45/25/569184525.db2.gz FNIPHKARYJSZSN-UHFFFAOYSA-N 0 0 414.246 4.632 50 0 biogenic HJAARN Cc1cccc2sc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)nc21 ZINC000006937134 569185252 /nfs/dbraw/zinc/18/52/52/569185252.db2.gz KTLDSEZYIDEPMD-OAHLLOKOSA-N 0 0 413.930 4.749 50 0 HJAARN CCCn1c(-c2cccc(C(=O)Nc3ccc(C(=O)OC)cc3)c2)nc2cccnc21 ZINC000065172828 569189946 /nfs/dbraw/zinc/18/99/46/569189946.db2.gz CIALHBONMJMGLN-UHFFFAOYSA-N 0 0 414.465 4.547 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)CN1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000065184111 569191162 /nfs/dbraw/zinc/19/11/62/569191162.db2.gz FYOHJIAVWXYEPB-UHFFFAOYSA-N 0 0 410.905 4.517 50 0 HJAARN C[C@H](NC(=O)CSc1ccc(-c2nc(-c3ccccc3)no2)cn1)c1ccccc1 ZINC000065185807 569192002 /nfs/dbraw/zinc/19/20/02/569192002.db2.gz ADJXMAKWCQDFFW-INIZCTEOSA-N 0 0 416.506 4.768 50 0 HJAARN CCn1c2ccccc2nc1SCC(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000006974769 569192325 /nfs/dbraw/zinc/19/23/25/569192325.db2.gz YPPIPHAVTFKJFI-UHFFFAOYSA-N 0 0 420.538 4.696 50 0 HJAARN CCCC[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1cc(C)on1 ZINC000065203163 569195326 /nfs/dbraw/zinc/19/53/26/569195326.db2.gz DCTBBJYDQYRSAM-HXUWFJFHSA-N 0 0 406.482 4.856 50 0 HJAARN COc1ccc(Br)cc1CN(C)C(=O)c1cc2ccccc2cc1O ZINC000006993512 569197062 /nfs/dbraw/zinc/19/70/62/569197062.db2.gz LVJMBVPNBKWICZ-UHFFFAOYSA-N 0 0 400.272 4.589 50 0 HJAARN CCc1cccc(C)c1NC(=O)Cn1ccc2ccn(Cc3ccccc3C)c2c1=O ZINC000065220305 569198015 /nfs/dbraw/zinc/19/80/15/569198015.db2.gz JMUFVJYVEFNHOT-UHFFFAOYSA-N 0 0 413.521 4.669 50 0 HJAARN COc1ccc(CC(=O)Nc2ccsc2-c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000065218916 569198195 /nfs/dbraw/zinc/19/81/95/569198195.db2.gz WHQBDCULVLWWDJ-UHFFFAOYSA-N 0 0 405.479 4.963 50 0 HJAARN CCc1ccc(-n2nc(C)c3c2nc(C)cc3C(=O)NCc2ccccc2OC)cc1 ZINC000007003876 569198343 /nfs/dbraw/zinc/19/83/43/569198343.db2.gz RJSGWQCNDNETQH-UHFFFAOYSA-N 0 0 414.509 4.538 50 0 HJAARN COc1cc(NC(=O)c2cccs2)c(C(=O)OCc2ccccc2F)cc1OC ZINC000007005507 569198683 /nfs/dbraw/zinc/19/86/83/569198683.db2.gz FWNYLHVVVKDCLP-UHFFFAOYSA-N 0 0 415.442 4.514 50 0 HJAARN O=C(Cc1cccc(C(F)(F)F)c1)N1CCCn2nc(-c3cccs3)cc2C1 ZINC000065225462 569199503 /nfs/dbraw/zinc/19/95/03/569199503.db2.gz UGIXXHCCOCAOAP-UHFFFAOYSA-N 0 0 405.445 4.605 50 0 HJAARN COc1ccc(NC(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1Cl ZINC000007014770 569200932 /nfs/dbraw/zinc/20/09/32/569200932.db2.gz ZMFQILUWXDPVBK-UHFFFAOYSA-N 0 0 412.873 4.504 50 0 HJAARN Cc1nc(CC(=O)Nc2ccc(Cl)cc2)sc1C(=O)NCc1cccc(C)c1 ZINC000065233031 569202237 /nfs/dbraw/zinc/20/22/37/569202237.db2.gz MQOWZSXBLKWYDJ-UHFFFAOYSA-N 0 0 413.930 4.525 50 0 HJAARN CC(C)N1c2ccc(C(=O)NCCc3cccs3)cc2Sc2ncccc2C1=O ZINC000065241435 569204198 /nfs/dbraw/zinc/20/41/98/569204198.db2.gz CXBUYTOGFFQMTE-UHFFFAOYSA-N 0 0 423.563 4.635 50 0 HJAARN CCCCc1ccc(NC(=O)CC[C@H]2NC(=O)N([C@@H](C)c3ccccc3)C2=O)cc1 ZINC000036594145 569204413 /nfs/dbraw/zinc/20/44/13/569204413.db2.gz ITUPIAQLBSKHCA-LAUBAEHRSA-N 0 0 407.514 4.634 50 0 HJAARN CC(=O)c1cccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(F)cc2)c1 ZINC000036615803 569207060 /nfs/dbraw/zinc/20/70/60/569207060.db2.gz XATUSJJQQFOKGO-UHFFFAOYSA-N 0 0 402.429 4.631 50 0 HJAARN CC(=O)c1cccc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000007035946 569208944 /nfs/dbraw/zinc/20/89/44/569208944.db2.gz FVLAKNFECQJRCQ-UHFFFAOYSA-N 0 0 407.853 4.791 50 0 HJAARN COc1ccc([C@H](C)NC(=O)c2cc(C)nc3onc(-c4ccc(F)cc4)c32)cc1 ZINC000036613384 569209156 /nfs/dbraw/zinc/20/91/56/569209156.db2.gz CMSBDDXUMXVMGF-AWEZNQCLSA-N 0 0 405.429 4.837 50 0 HJAARN Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)NCc3cccs3)c12 ZINC000036613382 569209205 /nfs/dbraw/zinc/20/92/05/569209205.db2.gz QMWJJSKADKYMIS-UHFFFAOYSA-N 0 0 402.523 4.657 50 0 HJAARN COc1cccc([C@H](C)NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c32)c1 ZINC000036613901 569209441 /nfs/dbraw/zinc/20/94/41/569209441.db2.gz XGFDUPJKYWMPED-ZDUSSCGKSA-N 0 0 405.429 4.837 50 0 HJAARN CN1c2ccc(NC(=O)c3c(F)cccc3Cl)cc2Sc2ncccc2C1=O ZINC000065258372 569210217 /nfs/dbraw/zinc/21/02/17/569210217.db2.gz QEHYHOWRVTWLHY-UHFFFAOYSA-N 0 0 413.861 4.868 50 0 HJAARN CN1c2ccc(NC(=O)c3cc(Cl)ccc3F)cc2Sc2ncccc2C1=O ZINC000065258391 569210223 /nfs/dbraw/zinc/21/02/23/569210223.db2.gz LUIUJJGRVKRQLZ-UHFFFAOYSA-N 0 0 413.861 4.868 50 0 HJAARN CCc1cc(C(=O)N2CCC[C@@H](C)C2)c2c(C3CC3)nn(-c3ccccc3F)c2n1 ZINC000036621661 569212301 /nfs/dbraw/zinc/21/23/01/569212301.db2.gz LRWFETNAHAKTHY-OAHLLOKOSA-N 0 0 406.505 4.872 50 0 HJAARN CC1CCN(C(=O)C2CCN(c3nc4ccc(-c5ccccc5)nc4s3)CC2)CC1 ZINC000065272084 569215542 /nfs/dbraw/zinc/21/55/42/569215542.db2.gz SOZPLQFYWMMSRN-UHFFFAOYSA-N 0 0 420.582 4.833 50 0 HJAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1cc2ccccc2oc1=O ZINC000036648663 569217223 /nfs/dbraw/zinc/21/72/23/569217223.db2.gz LVISGBHKGQVSPY-OAQYLSRUSA-N 0 0 408.457 4.836 50 0 HJAARN COc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1OCc1csc(C)n1 ZINC000007088366 569217629 /nfs/dbraw/zinc/21/76/29/569217629.db2.gz ZHWJAYJGHDVCSD-QFIPXVFZSA-N 0 0 421.522 4.768 50 0 HJAARN COCCNc1c(-c2ccc(OC)c(OC)c2)nc2sc3cc(Cl)ccc3n21 ZINC000065319411 569222113 /nfs/dbraw/zinc/22/21/13/569222113.db2.gz QANCRZAZXOUDLA-UHFFFAOYSA-N 0 0 417.918 4.945 50 0 HJAARN COc1ccc(CCNC(=O)Nc2ccccc2NC(=O)c2ccccc2C)cc1 ZINC000036709645 569223601 /nfs/dbraw/zinc/22/36/01/569223601.db2.gz DGYOOGYRIYXDMM-UHFFFAOYSA-N 0 0 403.482 4.620 50 0 HJAARN CCOc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3cccc(C)c3)no2)cc1OCC ZINC000065320406 569223742 /nfs/dbraw/zinc/22/37/42/569223742.db2.gz IKEVUBYHHSDKGU-LJQANCHMSA-N 0 0 421.497 4.820 50 0 HJAARN Cc1cccc(-c2noc([C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3C)n2)c1 ZINC000065320838 569223987 /nfs/dbraw/zinc/22/39/87/569223987.db2.gz UBLNACHTTUTIRY-KRWDZBQOSA-N 0 0 417.918 4.533 50 0 HJAARN Cc1cccc(-c2noc([C@H]3CCCN3S(=O)(=O)c3cccc(Cl)c3C)n2)c1 ZINC000065320822 569224008 /nfs/dbraw/zinc/22/40/08/569224008.db2.gz HSVSFGSYEGYODS-QGZVFWFLSA-N 0 0 417.918 4.533 50 0 HJAARN CCCc1nnsc1C(=O)Nc1nc(-c2ccc(Br)s2)cs1 ZINC000036709411 569224051 /nfs/dbraw/zinc/22/40/51/569224051.db2.gz DMXMMYMCBLOOIS-UHFFFAOYSA-N 0 0 415.363 4.690 50 0 HJAARN COc1cc(NC(=O)Nc2nc3c(s2)c(Cl)ccc3C)cc(OC)c1OC ZINC000036709366 569224086 /nfs/dbraw/zinc/22/40/86/569224086.db2.gz RJGCXKCXPJWNHO-UHFFFAOYSA-N 0 0 407.879 4.928 50 0 HJAARN O=C(NCc1ccco1)c1ccc(Nc2c(-c3ccccc3)nc3cnccn32)cc1 ZINC000065322584 569224722 /nfs/dbraw/zinc/22/47/22/569224722.db2.gz URFKPSIAQQSLNL-UHFFFAOYSA-N 0 0 409.449 4.663 50 0 HJAARN COc1ccc(Cc2nc(-c3cccc(NC(=O)Nc4ccccc4)c3)no2)cc1 ZINC000065330149 569224980 /nfs/dbraw/zinc/22/49/80/569224980.db2.gz DVRUSAJOLJSZTE-UHFFFAOYSA-N 0 0 400.438 4.980 50 0 HJAARN Cc1nn(CCNC(=O)Cc2cccc(C(F)(F)F)c2)c(C)c1-c1ccccc1 ZINC000238825081 569225353 /nfs/dbraw/zinc/22/53/53/569225353.db2.gz DNYZXFXWIYIUKN-UHFFFAOYSA-N 0 0 401.432 4.545 50 0 HJAARN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@H]1CCOc2ccccc21 ZINC000007136615 569225645 /nfs/dbraw/zinc/22/56/45/569225645.db2.gz SGRSHLZDTPUZGR-KRWDZBQOSA-N 0 0 413.930 4.566 50 0 HJAARN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000007157674 569225945 /nfs/dbraw/zinc/22/59/45/569225945.db2.gz QQOQGYXJCRJICJ-HUUCEWRRSA-N 0 0 418.896 4.900 50 0 HJAARN C[C@H](NC(=O)COC(=O)c1cc2c(s1)CC[C@H](C)C2)C12CC3CC(CC(C3)C1)C2 ZINC000007159214 569226011 /nfs/dbraw/zinc/22/60/11/569226011.db2.gz FAWIMDHDEMLNIN-CPJHTQCFSA-N 0 0 415.599 4.751 50 0 HJAARN Cc1nc(SCc2nnc(C(=O)Nc3ccc(F)cc3)s2)n(CC(C)C)c1C ZINC000036734585 569226487 /nfs/dbraw/zinc/22/64/87/569226487.db2.gz XFJLRJQFEPUSAP-UHFFFAOYSA-N 0 0 419.551 4.691 50 0 HJAARN O=C(NCCCN1CCCCCC1=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000036730871 569226512 /nfs/dbraw/zinc/22/65/12/569226512.db2.gz UBTVLULIZUYERY-UHFFFAOYSA-N 0 0 418.459 4.895 50 0 HJAARN COc1ccccc1-c1nnc(S[C@H](C)c2nnc(-c3ccc(F)cc3)o2)n1C ZINC000007151478 569226655 /nfs/dbraw/zinc/22/66/55/569226655.db2.gz XWIBXWGOGBCLDX-GFCCVEGCSA-N 0 0 411.462 4.533 50 0 HJAARN Cn1c(S[C@H](C(=O)NC2CC2)c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000007180415 569227527 /nfs/dbraw/zinc/22/75/27/569227527.db2.gz LTDIFEPZYZYDRV-FQEVSTJZSA-N 0 0 420.582 4.892 50 0 HJAARN Cc1ccc2nc(N=c3cc(-c4ccccc4)oc4ccc(Cl)cc43)sc2c1 ZINC000238950844 569228873 /nfs/dbraw/zinc/22/88/73/569228873.db2.gz ZXRWVGXALUQFIE-UHFFFAOYSA-N 0 0 402.906 6.904 50 0 HJAARN CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]4CC[C@H](C(C)=O)[C@]4(C)[C@@H](OC(C)=O)C[C@H]32)C1 ZINC000253612544 569230687 /nfs/dbraw/zinc/23/06/87/569230687.db2.gz VYZPGMGWYUEREY-UVQVDRODSA-N 0 0 418.574 4.708 50 0 HJAARN Cc1cc(-c2csc(NC3CC3)n2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000007274517 569231605 /nfs/dbraw/zinc/23/16/05/569231605.db2.gz IKAOZVZAKZWSFR-UHFFFAOYSA-N 0 0 419.554 4.590 50 0 HJAARN CCOc1ccc(-c2nc(-c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)cs2)cc1 ZINC000007274319 569231611 /nfs/dbraw/zinc/23/16/11/569231611.db2.gz KBMKORBTILCOCU-AWEZNQCLSA-N 0 0 414.552 4.586 50 0 HJAARN CCC(CC)(NC(=O)Nc1cc(S(C)(=O)=O)ccc1C)c1ccc(Cl)cc1 ZINC000065564998 569234312 /nfs/dbraw/zinc/23/43/12/569234312.db2.gz DQALZRXDBIJLMA-UHFFFAOYSA-N 0 0 408.951 4.889 50 0 HJAARN CCCc1nc(C(C)(C)NC(=O)c2sc(-c3ccccc3Cl)nc2C)no1 ZINC000065575164 569235993 /nfs/dbraw/zinc/23/59/93/569235993.db2.gz YICDVQXWYPIXHI-UHFFFAOYSA-N 0 0 404.923 4.773 50 0 HJAARN C[C@H]1CN(c2ccc(NC(=O)NCCSCc3cccs3)cc2F)C[C@H](C)O1 ZINC000065588855 569236645 /nfs/dbraw/zinc/23/66/45/569236645.db2.gz ODYNZNIACAWDDL-GJZGRUSLSA-N 0 0 423.579 4.556 50 0 HJAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000007440057 569239034 /nfs/dbraw/zinc/23/90/34/569239034.db2.gz NBNVFXWVMCFVLF-OAQYLSRUSA-N 0 0 414.534 4.664 50 0 HJAARN COC(=O)c1ccc(OCc2nnc(-c3ccccc3Cl)o2)c(Br)c1 ZINC000037170223 569239390 /nfs/dbraw/zinc/23/93/90/569239390.db2.gz XRNDNXIEVPIJNF-UHFFFAOYSA-N 0 0 423.650 4.518 50 0 HJAARN COc1cc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)cc(OC)c1 ZINC000007474652 569240388 /nfs/dbraw/zinc/24/03/88/569240388.db2.gz IVZSUGRXCFWAIN-UHFFFAOYSA-N 0 0 416.481 4.949 50 0 HJAARN Cc1ccc(OCc2nc(CNCc3noc(-c4ccccc4C)n3)cs2)cc1 ZINC000170611900 569245546 /nfs/dbraw/zinc/24/55/46/569245546.db2.gz ZRKKEWVZUKRHNN-UHFFFAOYSA-N 0 0 406.511 4.679 50 0 HJAARN Cc1cccc([C@H]2CC[C@@H](C(=O)NCc3ccccc3F)CN2C(=O)C2CCCC2)c1 ZINC000037278006 569246039 /nfs/dbraw/zinc/24/60/39/569246039.db2.gz TZLVJVJPZWOUBG-ISKFKSNPSA-N 0 0 422.544 4.920 50 0 HJAARN COc1ccc(C2=NN(C(C)=O)[C@@H](c3cc4ccc(C)cc4nc3Cl)C2)c(OC)c1 ZINC000170620050 569248214 /nfs/dbraw/zinc/24/82/14/569248214.db2.gz DFDRBPMGDLQBSC-OAQYLSRUSA-N 0 0 423.900 4.911 50 0 HJAARN CN(C)c1ccc(C2=NN(S(=O)(=O)c3cccc(Cl)c3)[C@H](C(C)(C)C)C2)cc1 ZINC000170618992 569248322 /nfs/dbraw/zinc/24/83/22/569248322.db2.gz SNQWGBOGXMTDFG-FQEVSTJZSA-N 0 0 419.978 4.619 50 0 HJAARN O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1)[C@H]1CSCCS1 ZINC000170621714 569248470 /nfs/dbraw/zinc/24/84/70/569248470.db2.gz LGVGESJSTCNQKE-CQSZACIVSA-N 0 0 400.447 4.680 50 0 HJAARN O=C(CSc1nnc(-c2cccs2)n1C1CC1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000007546402 569248901 /nfs/dbraw/zinc/24/89/01/569248901.db2.gz HBBUNBQTSZBVQF-HOCLYGCPSA-N 0 0 402.589 4.615 50 0 HJAARN COc1ccccc1[C@H](NC(=O)c1oc2c(c1C)c(C)ccc2C)c1noc(C)n1 ZINC000170626616 569250533 /nfs/dbraw/zinc/25/05/33/569250533.db2.gz YHPXCKHYEXZTNZ-IBGZPJMESA-N 0 0 405.454 4.577 50 0 HJAARN Cc1cccc([C@@H]2CCCCCN2C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c1 ZINC000170630387 569250606 /nfs/dbraw/zinc/25/06/06/569250606.db2.gz JRZNROIBPINRIP-XZOQPEGZSA-N 0 0 406.526 4.870 50 0 HJAARN COc1ccc([C@@H]2C[C@H](c3ccc(C)cc3)n3ncnc3N2C(=O)c2ccccc2)cc1 ZINC000010060330 569253103 /nfs/dbraw/zinc/25/31/03/569253103.db2.gz VMZVNQDGAGWEKX-BJKOFHAPSA-N 0 0 424.504 4.976 50 0 HJAARN O=C(c1ccc(Br)o1)N(C(=O)N1CCCCC1)c1cccc(Cl)c1 ZINC000010254613 569254292 /nfs/dbraw/zinc/25/42/92/569254292.db2.gz GBIMLNKTKNSXLC-UHFFFAOYSA-N 0 0 411.683 4.948 50 0 HJAARN COc1ccc(CCNC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC ZINC000013320423 569254744 /nfs/dbraw/zinc/25/47/44/569254744.db2.gz JJTLGDOYQXNHJE-UHFFFAOYSA-N 0 0 402.800 4.740 50 0 HJAARN Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2 ZINC000013696350 569257193 /nfs/dbraw/zinc/25/71/93/569257193.db2.gz CJLHMEUSMBOAHG-UHFFFAOYSA-N 0 0 418.946 4.529 50 0 HJAARN C[C@@H](NC(=O)COc1ccc(F)c2c1C(=O)C[C@@H]2C)c1ccc(Br)cc1 ZINC000014369385 569259691 /nfs/dbraw/zinc/25/96/91/569259691.db2.gz CKDWRKZVPVJEHW-NWDGAFQWSA-N 0 0 420.278 4.534 50 0 HJAARN Cc1nn(-c2nc(CC(=O)Nc3ccc(F)cc3)cs2)c(C)c1Cc1ccccc1 ZINC000014609260 569260667 /nfs/dbraw/zinc/26/06/67/569260667.db2.gz YLKLWRZGTXZINC-UHFFFAOYSA-N 0 0 420.513 4.857 50 0 HJAARN Cc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c(Cl)c1 ZINC000014669518 569262476 /nfs/dbraw/zinc/26/24/76/569262476.db2.gz ALLHFMQHBKZIMO-UHFFFAOYSA-N 0 0 420.962 4.774 50 0 HJAARN Cc1csc(-c2cccc(C(=O)N3CCC[C@H]3c3nnc(-c4ccccc4)[nH]3)c2)n1 ZINC000089708854 569262819 /nfs/dbraw/zinc/26/28/19/569262819.db2.gz VUZDHVVZJRUDIM-IBGZPJMESA-N 0 0 415.522 4.881 50 0 HJAARN COc1ccc(NC(=O)Nc2nnc(SCCc3ccccc3)s2)cc1OC ZINC000007573106 569265075 /nfs/dbraw/zinc/26/50/75/569265075.db2.gz YDTGNYIKNZVOPW-UHFFFAOYSA-N 0 0 416.528 4.534 50 0 HJAARN C[C@H](CCc1ccccc1)NC(=O)CCc1csc(NC(=O)Nc2ccccc2)n1 ZINC000016849046 569265543 /nfs/dbraw/zinc/26/55/43/569265543.db2.gz XHXSWGPZALWYLV-QGZVFWFLSA-N 0 0 422.554 4.857 50 0 HJAARN COc1ccc(-c2cn3c(CCC(=O)Nc4cc(C)ccc4OC)csc3n2)cc1 ZINC000016848853 569265556 /nfs/dbraw/zinc/26/55/56/569265556.db2.gz XATCJNDCZMJNGV-UHFFFAOYSA-N 0 0 421.522 4.960 50 0 HJAARN Cc1ccc2nc(NC(=O)c3ccc(=O)n(Cc4ccccc4Cl)c3)sc2c1 ZINC000007574191 569266612 /nfs/dbraw/zinc/26/66/12/569266612.db2.gz XHIYXSFULSEXEK-UHFFFAOYSA-N 0 0 409.898 4.720 50 0 HJAARN CCCOc1c(Cl)cc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1OCC ZINC000016966248 569268773 /nfs/dbraw/zinc/26/87/73/569268773.db2.gz MWDSZQIQYONCEO-UHFFFAOYSA-N 0 0 416.905 4.672 50 0 HJAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(Nc2nc(C)cc(N(C)C)n2)cc1 ZINC000017013236 569271686 /nfs/dbraw/zinc/27/16/86/569271686.db2.gz JHHHSGYKBKIUBG-UHFFFAOYSA-N 0 0 411.893 4.509 50 0 HJAARN Cc1ccc(N2C(=O)C[C@H](Sc3ccc(NC(=O)C4CCCCC4)cc3)C2=O)cc1 ZINC000017093220 569274733 /nfs/dbraw/zinc/27/47/33/569274733.db2.gz ZYZGTGKGYGZNDH-NRFANRHFSA-N 0 0 422.550 4.938 50 0 HJAARN COc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000014793478 569274864 /nfs/dbraw/zinc/27/48/64/569274864.db2.gz KBPGGJAEOOXWAC-UHFFFAOYSA-N 0 0 412.449 4.516 50 0 HJAARN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C3(c4cccs4)CCCCC3)c2)n1 ZINC000170634178 569275424 /nfs/dbraw/zinc/27/54/24/569275424.db2.gz QYVLOBRPJQTVRS-UHFFFAOYSA-N 0 0 407.539 4.901 50 0 HJAARN O=C(Cc1csc(NC(=O)NC2CCCC2)n1)Nc1ccc(Cl)c(Cl)c1 ZINC000017149768 569275760 /nfs/dbraw/zinc/27/57/60/569275760.db2.gz NWQRAOAUHBHFRG-UHFFFAOYSA-N 0 0 413.330 4.695 50 0 HJAARN Nc1c2c(nn1-c1ccc(Cl)cc1)nc(NC1CC1)nc2-c1ccc(Cl)cc1 ZINC000037357957 569276314 /nfs/dbraw/zinc/27/63/14/569276314.db2.gz ONAMXIVSOYGVPI-UHFFFAOYSA-N 0 0 411.296 4.946 50 0 HJAARN Nc1c2c(nn1-c1cccc(F)c1)nc(NCC1CC1)nc2-c1ccc(Cl)cc1 ZINC000037357975 569276470 /nfs/dbraw/zinc/27/64/70/569276470.db2.gz BDWJHLSFINXHPQ-UHFFFAOYSA-N 0 0 408.868 4.679 50 0 HJAARN Clc1ccc(Nc2nc(NC[C@@H]3CCCO3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017200421 569276564 /nfs/dbraw/zinc/27/65/64/569276564.db2.gz LWSWWCPNBLYBCL-SFHVURJKSA-N 0 0 420.904 4.803 50 0 HJAARN O=C(COc1ccc2c(c1)occ(-c1ccccc1Cl)c2=O)NCc1ccccc1 ZINC000000954979 569276982 /nfs/dbraw/zinc/27/69/82/569276982.db2.gz MOARLMCKWHQCCX-UHFFFAOYSA-N 0 0 419.864 4.809 50 0 HJAARN Cc1sc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)c(C(N)=O)c1C ZINC000002818784 569278058 /nfs/dbraw/zinc/27/80/58/569278058.db2.gz YNSTUOJBGLSFEP-UHFFFAOYSA-N 0 0 401.491 4.931 50 0 HJAARN CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(=O)Nc2ccc(F)cc2)cc1 ZINC000002869480 569278148 /nfs/dbraw/zinc/27/81/48/569278148.db2.gz SLBQNOKJCUVIRW-MRXNPFEDSA-N 0 0 422.456 4.883 50 0 HJAARN COc1ccc(Nc2ccccc2C(=O)N[C@@H]2CCc3cnn(C(C)C)c3C2)cc1 ZINC000170636208 569278538 /nfs/dbraw/zinc/27/85/38/569278538.db2.gz SUHWJEPZBXIJBW-LJQANCHMSA-N 0 0 404.514 4.504 50 0 HJAARN COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(c3cc(C)cc(C)c3)[C@@H]21 ZINC000002094981 569280897 /nfs/dbraw/zinc/28/08/97/569280897.db2.gz QVZFMJZZEOVFGY-HSZRJFAPSA-N 0 0 414.461 4.640 50 0 biogenic HJAARN Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4)C(=O)N32)cc1 ZINC000002103501 569281632 /nfs/dbraw/zinc/28/16/32/569281632.db2.gz QDZWRSVFLOXFHL-ZCYQVOJMSA-N 0 0 421.500 4.955 50 0 biogenic HJAARN CC(C)CNc1nc2nn(-c3cc(F)ccc3F)c(N)c2c(-c2cccc(F)c2)n1 ZINC000037376336 569287983 /nfs/dbraw/zinc/28/79/83/569287983.db2.gz AJNRUDKKKUGIIX-UHFFFAOYSA-N 0 0 412.419 4.550 50 0 HJAARN Cc1ccc(C(=O)Nc2nc3cc(F)ccc3[nH]2)cc1NC(=O)c1ccccc1F ZINC000252485921 569289335 /nfs/dbraw/zinc/28/93/35/569289335.db2.gz HFECBLJMJMVROS-UHFFFAOYSA-N 0 0 406.392 4.654 50 0 HJAARN Cc1c(C)c(=O)oc2cc(OC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)ccc12 ZINC000002147126 569289782 /nfs/dbraw/zinc/28/97/82/569289782.db2.gz BFZHUTDUFVJLEH-HXUWFJFHSA-N 0 0 423.465 4.581 50 0 biogenic HJAARN COc1ccc(NC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)c(OC)c1 ZINC000002150778 569290029 /nfs/dbraw/zinc/29/00/29/569290029.db2.gz GDVLEBFNYRLFJD-UHFFFAOYSA-N 0 0 421.449 4.745 50 0 biogenic HJAARN CCCOC(=O)c1ccc(N2COc3c(C)c4oc(=O)cc(CCC)c4cc3C2)cc1 ZINC000002159915 569290571 /nfs/dbraw/zinc/29/05/71/569290571.db2.gz MDZVHRGEKGCJBH-UHFFFAOYSA-N 0 0 421.493 4.977 50 0 biogenic HJAARN CCCn1c2ccc(N)cc2nc1-c1ccccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000252496726 569290989 /nfs/dbraw/zinc/29/09/89/569290989.db2.gz PQDAWRWPBCIUNX-UHFFFAOYSA-N 0 0 420.538 4.805 50 0 HJAARN Cc1sc2ncn(C[C@@H](O)COc3cc(C)c(Cl)cc3C(C)C)c(=O)c2c1C ZINC000170648904 569292359 /nfs/dbraw/zinc/29/23/59/569292359.db2.gz SCKWUIHBTJBZEE-OAHLLOKOSA-N 0 0 420.962 4.600 50 0 HJAARN Cc1ccc(-n2ncc3c4nnc(COc5cc(C)ccc5C(C)C)n4cnc32)cc1 ZINC000002193895 569293910 /nfs/dbraw/zinc/29/39/10/569293910.db2.gz TXTZKHNFUWUNNV-UHFFFAOYSA-N 0 0 412.497 4.782 50 0 HJAARN CCOc1nc(-c2cccs2)n(-c2cccc(NC(=O)c3cccc(OC)c3)c2)n1 ZINC000037385524 569295264 /nfs/dbraw/zinc/29/52/64/569295264.db2.gz DWGLWCMRXBBRQE-UHFFFAOYSA-N 0 0 420.494 4.655 50 0 HJAARN CCOc1nc(-c2ccc(F)cc2)n(-c2cccc(NC(=O)c3cccc(F)c3)c2)n1 ZINC000037385364 569295315 /nfs/dbraw/zinc/29/53/15/569295315.db2.gz DGNUWNKOFIBIFK-UHFFFAOYSA-N 0 0 420.419 4.864 50 0 HJAARN COc1ccc2cnn(CCCCOc3cc(C(C)C)ccc3C)c(=O)c2c1OC ZINC000002201227 569295565 /nfs/dbraw/zinc/29/55/65/569295565.db2.gz GQXSJHJZFMBPBM-UHFFFAOYSA-N 0 0 410.514 4.705 50 0 HJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(-c3ccc(Cl)cc3)n2C)c1C ZINC000007644791 569298401 /nfs/dbraw/zinc/29/84/01/569298401.db2.gz GGDJDNHBYKIOIR-CYBMUJFWSA-N 0 0 416.934 4.647 50 0 HJAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)C1c2ccccc2Oc2ccccc21 ZINC000007645233 569298473 /nfs/dbraw/zinc/29/84/73/569298473.db2.gz VNYAWAOKTNFUEG-UHFFFAOYSA-N 0 0 401.462 4.744 50 0 HJAARN Cc1cccc([C@@H]2c3cccn3CCN2C(=O)CCC(=O)Nc2ccc(C)c(C)c2)c1 ZINC000037425682 569298497 /nfs/dbraw/zinc/29/84/97/569298497.db2.gz ACQCPHGHTNWEKS-AREMUKBSSA-N 0 0 415.537 4.764 50 0 HJAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3F)cc2C1=O ZINC000007650907 569298894 /nfs/dbraw/zinc/29/88/94/569298894.db2.gz VEFXBDOLKSNZLA-UHFFFAOYSA-N 0 0 408.816 4.840 50 0 HJAARN CCNC(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000037441253 569299607 /nfs/dbraw/zinc/29/96/07/569299607.db2.gz LYPHJDPPQANHSY-SFHVURJKSA-N 0 0 423.410 4.569 50 0 HJAARN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CSc1ccccn1 ZINC000007699325 569300999 /nfs/dbraw/zinc/30/09/99/569300999.db2.gz ANKKDGITNFNRTC-UHFFFAOYSA-N 0 0 404.538 4.779 50 0 HJAARN CC(C)NC(=O)c1cc2scc(Br)c2n1Cc1ccc(F)c(F)c1 ZINC000037542857 569305263 /nfs/dbraw/zinc/30/52/63/569305263.db2.gz ZIRSEVGYFIIXCX-UHFFFAOYSA-N 0 0 413.287 4.930 50 0 HJAARN Cc1ccc(NC(=O)CN(Cc2ccco2)Cc2ccco2)c(Br)c1 ZINC000007726052 569303244 /nfs/dbraw/zinc/30/32/44/569303244.db2.gz URDJKYLBFVDLOC-UHFFFAOYSA-N 0 0 403.276 4.584 50 0 HJAARN O=C(c1cc2scc(Br)c2n1Cc1ccc(F)cc1)N1CCCC1 ZINC000037543784 569305425 /nfs/dbraw/zinc/30/54/25/569305425.db2.gz JBNPHZCLZAQGRF-UHFFFAOYSA-N 0 0 407.308 4.889 50 0 HJAARN Cc1cccc([C@@H]2CC[C@@H](C(=O)NCc3ccco3)CN2C(=O)c2ccc(F)cc2)c1 ZINC000037545826 569305513 /nfs/dbraw/zinc/30/55/13/569305513.db2.gz CLQNVMBBHTUQRE-OFNKIYASSA-N 0 0 420.484 4.637 50 0 HJAARN COc1ccc(Cn2c(C(=O)N3CCCC3)cc3sc(Br)cc32)cc1 ZINC000037541791 569305628 /nfs/dbraw/zinc/30/56/28/569305628.db2.gz LAPHBXWNBVMOKW-UHFFFAOYSA-N 0 0 419.344 4.758 50 0 HJAARN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CCC(=O)NCC(C)C ZINC000037547169 569305695 /nfs/dbraw/zinc/30/56/95/569305695.db2.gz ATRBVATZOOUSAN-UHFFFAOYSA-N 0 0 413.468 4.956 50 0 HJAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)c1CCC(=O)NCC1CC1 ZINC000037547124 569305755 /nfs/dbraw/zinc/30/57/55/569305755.db2.gz JEGKNJFERRTVMH-UHFFFAOYSA-N 0 0 411.452 4.710 50 0 HJAARN COc1ccc(-n2nc(C)c(CCC(=O)NC(C)C)c2Oc2cccc(F)c2)cc1 ZINC000037546725 569305897 /nfs/dbraw/zinc/30/58/97/569305897.db2.gz ZJEQNVYMLIRYOA-UHFFFAOYSA-N 0 0 411.477 4.578 50 0 HJAARN Cc1ccccc1-n1c(=O)c2ccccc2nc1SCC(=O)c1ccc(F)cc1 ZINC000007758265 569307228 /nfs/dbraw/zinc/30/72/28/569307228.db2.gz MGMNDTFUPQYEPE-UHFFFAOYSA-N 0 0 404.466 4.808 50 0 HJAARN CSc1nc2sc3c(c2c2nnc(SCc4ccc(F)cc4)n21)CCC3 ZINC000002212187 569307667 /nfs/dbraw/zinc/30/76/67/569307667.db2.gz IDMZRDNSPVDVQQ-UHFFFAOYSA-N 0 0 402.545 4.981 50 0 HJAARN O=C(CSc1nnc(Cc2cccs2)n1C1CC1)Nc1cccc(Cl)c1 ZINC000007763846 569308029 /nfs/dbraw/zinc/30/80/29/569308029.db2.gz ZEHMLZSMSQZNSS-UHFFFAOYSA-N 0 0 404.948 4.650 50 0 HJAARN COC(=O)[C@@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccccc1 ZINC000007777279 569308625 /nfs/dbraw/zinc/30/86/25/569308625.db2.gz GUTLLGALZWTURY-MRXNPFEDSA-N 0 0 409.555 4.945 50 0 HJAARN Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)c1C ZINC000007777383 569308692 /nfs/dbraw/zinc/30/86/92/569308692.db2.gz XACDAXDNDYJBCP-UHFFFAOYSA-N 0 0 420.534 4.697 50 0 HJAARN CCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)CC(C)C)CC2 ZINC000037601916 569309298 /nfs/dbraw/zinc/30/92/98/569309298.db2.gz GDUMJAAPNOZYKG-ILBGXUMGSA-N 0 0 422.569 4.500 50 0 HJAARN O=C(c1ccc(Cl)c2cccnc12)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000195641702 569312832 /nfs/dbraw/zinc/31/28/32/569312832.db2.gz PMJQXTWRFHOZJN-UHFFFAOYSA-N 0 0 402.828 4.850 50 0 HJAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)COc1c(C)cc(Cl)cc1C ZINC000007824168 569313114 /nfs/dbraw/zinc/31/31/14/569313114.db2.gz IHQXUIYUOVZHRJ-UHFFFAOYSA-N 0 0 411.933 4.514 50 0 HJAARN O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000007842687 569314050 /nfs/dbraw/zinc/31/40/50/569314050.db2.gz HLEHAWWINDQORD-QHCPKHFHSA-N 0 0 404.535 4.995 50 0 HJAARN CCOc1ccccc1N1CCN(C(=O)CCC(=O)c2ccc3ccccc3c2)CC1 ZINC000007847472 569314452 /nfs/dbraw/zinc/31/44/52/569314452.db2.gz ROBIXHDCIKFAOE-UHFFFAOYSA-N 0 0 416.521 4.550 50 0 HJAARN COc1cc(OC)c([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)cc1OC ZINC000007883934 569315122 /nfs/dbraw/zinc/31/51/22/569315122.db2.gz QIKZKGPPQYYKOG-XMMPIXPASA-N 0 0 418.493 4.788 50 0 HJAARN COc1ccc(C(=O)Nc2cccc(-c3nnc4c5ccccc5c(C)nn34)c2)cc1 ZINC000002263561 569325481 /nfs/dbraw/zinc/32/54/81/569325481.db2.gz OLPSCPYCXSMDLT-UHFFFAOYSA-N 0 0 409.449 4.514 50 0 HJAARN CCCCCCn1c(N)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21 ZINC000002264936 569325572 /nfs/dbraw/zinc/32/55/72/569325572.db2.gz FCPXJHSQTMMNQH-UHFFFAOYSA-N 0 0 408.527 4.580 50 0 HJAARN CCCc1nc2c3cc4c(nc3sc2c(=O)n1Cc1ccccc1)CC(C)(C)OC4 ZINC000002265882 569325711 /nfs/dbraw/zinc/32/57/11/569325711.db2.gz SSGGPJCTNBITHO-UHFFFAOYSA-N 0 0 419.550 4.858 50 0 HJAARN CCOc1cccc2cc(C(=O)NC(C)=O)/c(=N/c3ccc(Cl)cc3Cl)oc21 ZINC000027519144 569327883 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4.955 50 0 HJAARN CCCCCCn1c(N)c(C(=O)NCCc2ccccc2)c2nc3ccccc3nc21 ZINC000002325039 569375387 /nfs/dbraw/zinc/37/53/87/569375387.db2.gz NFCBSVBILRBDOL-UHFFFAOYSA-N 0 0 415.541 4.720 50 0 HJAARN CC1(C)Cc2nc3oc4c(ncnc4SCC(=O)c4ccccc4)c3cc2CO1 ZINC000002342159 569376408 /nfs/dbraw/zinc/37/64/08/569376408.db2.gz PFLOHZADZLKMMH-UHFFFAOYSA-N 0 0 405.479 4.597 50 0 HJAARN CC(C)N(Cc1ccccc1)C(=O)CCCCCCN1C(=O)c2ccccc2C1=O ZINC000002350035 569380715 /nfs/dbraw/zinc/38/07/15/569380715.db2.gz WGKIIMCIFQJTTL-UHFFFAOYSA-N 0 0 406.526 4.670 50 0 HJAARN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C[C@@H]5CN=N[C@@]54C(C)=O)[C@H]3CC[C@H]2C1 ZINC000253531922 569382722 /nfs/dbraw/zinc/38/27/22/569382722.db2.gz LFWLQRNCCYFSPX-JKJBZJKQSA-N 0 0 400.563 4.981 50 0 HJAARN COc1ccccc1NC(=O)c1c(N)n(-c2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000002368378 569388446 /nfs/dbraw/zinc/38/84/46/569388446.db2.gz SJVTYEMHCXJGEI-UHFFFAOYSA-N 0 0 423.476 4.725 50 0 HJAARN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)C[C@H](C)Cc1cccc(C)c1 ZINC000002371094 569388823 /nfs/dbraw/zinc/38/88/23/569388823.db2.gz AIHUAHHEWFCXSK-MRXNPFEDSA-N 0 0 408.498 4.869 50 0 HJAARN O=C(NC(=O)c1c(F)cccc1F)Nc1ccccc1SCCC(F)(F)F ZINC000002372420 569389170 /nfs/dbraw/zinc/38/91/70/569389170.db2.gz IIAFPLHCFSCHGG-UHFFFAOYSA-N 0 0 404.360 4.971 50 0 HJAARN CC(C)Cn1c(N)c(C(=O)N[C@H](C)CCc2ccccc2)c2nc3ccccc3nc21 ZINC000002377862 569389570 /nfs/dbraw/zinc/38/95/70/569389570.db2.gz ZAUDYRFZQFMSRL-QGZVFWFLSA-N 0 0 415.541 4.574 50 0 HJAARN Nc1c(Cl)cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(Cl)s2)cc1Cl ZINC000055128517 569389944 /nfs/dbraw/zinc/38/99/44/569389944.db2.gz IVDOJGAATPPVGJ-NSHDSACASA-N 0 0 418.733 4.534 50 0 HJAARN CN(C)c1ccc([C@@H](O)[P@](=O)(OCc2ccccc2)c2ccc(N(C)C)cc2)cc1 ZINC000002386613 569392109 /nfs/dbraw/zinc/39/21/09/569392109.db2.gz SZIGYIMGUCOGKS-QABMSTFYSA-N 0 0 424.481 4.630 50 0 HJAARN CCCCn1nc(NC(=O)Cc2ccc(OC)cc2)c2cc3cccc(C)c3nc21 ZINC000002406069 569396113 /nfs/dbraw/zinc/39/61/13/569396113.db2.gz PUXUUBQTBJBTDP-UHFFFAOYSA-N 0 0 402.498 4.883 50 0 HJAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(F)cc1)N(Cc1ccco1)C3=O ZINC000002406974 569396208 /nfs/dbraw/zinc/39/62/08/569396208.db2.gz BJLZTHIVYIBARP-NRFANRHFSA-N 0 0 403.409 4.887 50 0 HJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1F)N(c1cccc(C)n1)C3=O ZINC000002407186 569396235 /nfs/dbraw/zinc/39/62/35/569396235.db2.gz WIZPXIOHDDWXPG-NRFANRHFSA-N 0 0 400.409 4.694 50 0 HJAARN Cc1csc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(F)cc2)n1 ZINC000002407692 569396383 /nfs/dbraw/zinc/39/63/83/569396383.db2.gz YAABOMIYSXIPLX-SFHVURJKSA-N 0 0 406.438 4.755 50 0 HJAARN Cc1ccccc1-c1nc2s/c(=C\c3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2n1 ZINC000002409485 569396462 /nfs/dbraw/zinc/39/64/62/569396462.db2.gz PVEFKPWRLXOWLP-UNOMPAQXSA-N 0 0 419.893 4.588 50 0 HJAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2F)N1c1ccc(Cl)cn1 ZINC000002413553 569397066 /nfs/dbraw/zinc/39/70/66/569397066.db2.gz MCTKBAZTJZCDAX-LJQANCHMSA-N 0 0 406.800 4.730 50 0 HJAARN CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2cc(OC)cc(OC)c2)n1 ZINC000002412778 569397101 /nfs/dbraw/zinc/39/71/01/569397101.db2.gz DUOYRFRUYLEEKL-UHFFFAOYSA-N 0 0 403.438 4.882 50 0 HJAARN Cc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)s1 ZINC000002423451 569398252 /nfs/dbraw/zinc/39/82/52/569398252.db2.gz KGWBPQSDWSLLJY-KRWDZBQOSA-N 0 0 423.881 4.665 50 0 HJAARN CC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@H](c1ccc(Cl)cc1)N2 ZINC000002424350 569398386 /nfs/dbraw/zinc/39/83/86/569398386.db2.gz PDZVGUBLBINTCB-IAGOWNOFSA-N 0 0 402.285 4.690 50 0 HJAARN Cc1ccc(NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)cc1Cl ZINC000002431876 569399165 /nfs/dbraw/zinc/39/91/65/569399165.db2.gz YGPGJGFWGBHXSV-UHFFFAOYSA-N 0 0 406.939 4.905 50 0 HJAARN COc1ccc(CC(=O)Nc2nn(CC(C)C)c3nc4ccc(C)cc4cc23)cc1 ZINC000002428121 569398759 /nfs/dbraw/zinc/39/87/59/569398759.db2.gz FDFBQNWMQOWDPB-UHFFFAOYSA-N 0 0 402.498 4.739 50 0 HJAARN Cc1ccc(-n2cc3c(c2-c2ccc(C(C)(C)C)cc2)c(=O)n(C)c(=O)n3C)cc1C ZINC000002431395 569399158 /nfs/dbraw/zinc/39/91/58/569399158.db2.gz WLIFUQKWGLRSJC-UHFFFAOYSA-N 0 0 415.537 4.609 50 0 HJAARN Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2NCc2ccco2)cc1 ZINC000012419616 569401191 /nfs/dbraw/zinc/40/11/91/569401191.db2.gz DSCNWSDWRSWOSI-UHFFFAOYSA-N 0 0 400.481 4.749 50 0 HJAARN C[C@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)NCC1CCCCC1 ZINC000012696954 569402817 /nfs/dbraw/zinc/40/28/17/569402817.db2.gz QILHDFQOMDWNOE-LBPRGKRZSA-N 0 0 424.364 4.676 50 0 HJAARN Cc1nc(NC(=O)COc2ccc(Br)cc2F)c(Cl)cc1Cl ZINC000012991901 569406222 /nfs/dbraw/zinc/40/62/22/569406222.db2.gz KVIKGAMKKPAUQH-UHFFFAOYSA-N 0 0 408.054 4.616 50 0 HJAARN Cc1cc(C)n(-c2ccc(Nc3ccc(NC(=O)Nc4ccccc4F)cc3)nn2)n1 ZINC000013009937 569407096 /nfs/dbraw/zinc/40/70/96/569407096.db2.gz PECHSTSOKSXCBT-UHFFFAOYSA-N 0 0 417.448 4.806 50 0 HJAARN Cc1cc(C)n(-c2ccc(Nc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)nn2)n1 ZINC000013009931 569407115 /nfs/dbraw/zinc/40/71/15/569407115.db2.gz BTEYYIAVHNGUDA-UHFFFAOYSA-N 0 0 417.448 4.806 50 0 HJAARN O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1ccc(Cl)cc1Cl ZINC000013016341 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CCOc1ccc(Oc2ccccc2NCC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000024760735 521183053 /nfs/dbraw/zinc/18/30/53/521183053.db2.gz OCHVHEOCGMQGOF-UHFFFAOYSA-N 0 0 420.465 4.699 50 0 HJAARN CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(CCc1ccc(OC)cc1)CO3 ZINC000020412322 521260604 /nfs/dbraw/zinc/26/06/04/521260604.db2.gz PIWOEMFTWZDWTH-UHFFFAOYSA-N 0 0 407.510 4.847 50 0 biogenic HJAARN CCOc1ccc([C@H](NC(=O)CCCNC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000032914834 521264122 /nfs/dbraw/zinc/26/41/22/521264122.db2.gz JYWMPERTMLPUJA-RUZDIDTESA-N 0 0 416.521 4.501 50 0 HJAARN CCOc1ccc2ncc3c(sc(C(=O)NC[C@@H](C)O)c3-c3ccc(C)cc3)c2c1 ZINC000045943841 521310135 /nfs/dbraw/zinc/31/01/35/521310135.db2.gz RYUXNRDWWHMANX-OAHLLOKOSA-N 0 0 420.534 4.934 50 0 HJAARN CCOc1ccccc1N1CCN(C(=O)/C=C/c2ccc(Cl)cc2Cl)CC1 ZINC000000996990 521516334 /nfs/dbraw/zinc/51/63/34/521516334.db2.gz WIGRSQXVWRSKPB-CSKARUKUSA-N 0 0 405.325 4.754 50 0 HJAARN CCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2)C1 ZINC000044803643 521608436 /nfs/dbraw/zinc/60/84/36/521608436.db2.gz IWAWGFYLGAQNJA-OAHLLOKOSA-N 0 0 410.905 4.537 50 0 HJAARN CCS(=O)(=O)Oc1cccc(CN(Cc2ccc(F)cc2)C(=O)CC(C)(C)C)c1 ZINC000044854727 521686376 /nfs/dbraw/zinc/68/63/76/521686376.db2.gz VZSISFVQYLYCJC-UHFFFAOYSA-N 0 0 421.534 4.519 50 0 HJAARN CCSCn1nnc(-c2cccs2)c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000032611802 521719954 /nfs/dbraw/zinc/71/99/54/521719954.db2.gz VLZDQSOBFQGRER-UHFFFAOYSA-N 0 0 412.462 4.988 50 0 HJAARN COC(=O)c1c(C)[nH]c(-c2ccccc2OC)c1[C@@H]1C(=O)Nc2c1cccc2Cl ZINC000032095075 521748092 /nfs/dbraw/zinc/74/80/92/521748092.db2.gz LAOZCKPHOFCENS-QGZVFWFLSA-N 0 0 410.857 4.523 50 0 HJAARN CNC(=O)c1ccc(/C=C/C(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 ZINC000032755317 521795015 /nfs/dbraw/zinc/79/50/15/521795015.db2.gz AJAYLRCBKDJPBW-FMIVXFBMSA-N 0 0 400.434 4.606 50 0 HJAARN CN(C)[C@@H](CNC(=O)c1ccccc1SC[C@H]1CCCO1)c1ccccc1Cl ZINC000040047567 522026190 /nfs/dbraw/zinc/02/61/90/522026190.db2.gz NWEFIXPIUWHVQA-UZLBHIALSA-N 0 0 418.990 4.644 50 0 HJAARN CCc1nc(-c2ccc(-c3noc([C@H]4CC(=O)N(c5ccccc5)C4)n3)cc2)cs1 ZINC000040454987 522143068 /nfs/dbraw/zinc/14/30/68/522143068.db2.gz MKYGTHPCHJHXQA-KRWDZBQOSA-N 0 0 416.506 4.943 50 0 HJAARN COC(=O)c1ccccc1NC(=O)CSc1ncc(-c2cccc(Cl)c2)o1 ZINC000045943304 522271521 /nfs/dbraw/zinc/27/15/21/522271521.db2.gz NUKMEERZPCBXRG-UHFFFAOYSA-N 0 0 402.859 4.512 50 0 HJAARN CCc1nc2sc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)c(C)c2c(C)n1 ZINC000036396127 522535557 /nfs/dbraw/zinc/53/55/57/522535557.db2.gz AZAMZHUWQSHCRQ-MRXNPFEDSA-N 0 0 423.538 4.619 50 0 HJAARN CCc1nn2c(nnc3c2ccn([C@@H]2CCCC[C@@H]2C)c3=O)c1-c1ccc(F)cc1 ZINC000040391674 522715977 /nfs/dbraw/zinc/71/59/77/522715977.db2.gz LIFGWHIGSFIDAS-KBXCAEBGSA-N 0 0 405.477 4.559 50 0 HJAARN COc1cc(NC(=O)c2csc(Nc3cccc(Cl)c3)n2)cc(OC)c1OC ZINC000036704639 522733500 /nfs/dbraw/zinc/73/35/00/522733500.db2.gz VJPPNHHKMDJQBK-UHFFFAOYSA-N 0 0 419.890 4.818 50 0 HJAARN CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(OC)c(NC(=O)c2cccc(F)c2)c1 ZINC000032931495 522890490 /nfs/dbraw/zinc/89/04/90/522890490.db2.gz PQIAJQKVORNUHO-NRFANRHFSA-N 0 0 422.456 4.883 50 0 HJAARN COc1ccc(-c2cc(C(=O)N3CCC(c4nc5ccccc5s4)CC3)no2)cc1 ZINC000032622498 523093199 /nfs/dbraw/zinc/09/31/99/523093199.db2.gz ZLHJSPZRTADDJT-UHFFFAOYSA-N 0 0 419.506 4.980 50 0 HJAARN CCn1c(SCC(=O)Nc2ccc(C)cc2F)nnc1-c1cc2ccccc2o1 ZINC000032579514 523225384 /nfs/dbraw/zinc/22/53/84/523225384.db2.gz GRUQNLCRUIQLEZ-UHFFFAOYSA-N 0 0 410.474 4.890 50 0 HJAARN COc1ccc(-c2nn(C)c3c2[C@@H](c2ccccc2)N(CCc2ccccc2)C3=O)cc1 ZINC000032593633 523243356 /nfs/dbraw/zinc/24/33/56/523243356.db2.gz DYSKSKKVLBWXAM-RUZDIDTESA-N 0 0 423.516 4.884 50 0 HJAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCc3ccccc32)c1 ZINC000032759134 523651373 /nfs/dbraw/zinc/65/13/73/523651373.db2.gz QCUBPMSFYCKYDG-HSZRJFAPSA-N 0 0 420.534 4.570 50 0 HJAARN CCc1c(C)sc2c1c1nc(-c3ccco3)nn1c(=O)n2Cc1ccc(Cl)cc1 ZINC000032094856 523720576 /nfs/dbraw/zinc/72/05/76/523720576.db2.gz TYUKPSVJQAJQKE-UHFFFAOYSA-N 0 0 424.913 4.938 50 0 HJAARN COc1ccc(C(=O)N[C@H](CCSC)c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000041154658 523736445 /nfs/dbraw/zinc/73/64/45/523736445.db2.gz YBWXCKRXTIMIRF-QGZVFWFLSA-N 0 0 417.918 4.623 50 0 HJAARN COc1ccc(C)cc1NC(=O)NCCn1c2ccccc2nc1-c1ccccc1 ZINC000032951402 523833011 /nfs/dbraw/zinc/83/30/11/523833011.db2.gz UGFKHSMLBOVVAV-UHFFFAOYSA-N 0 0 400.482 4.842 50 0 HJAARN COc1ccc(C2C(=O)C(=O)N(Cc3cccc(OC)c3)[C@@H]2c2ccccc2F)cc1 ZINC000040485462 523871972 /nfs/dbraw/zinc/87/19/72/523871972.db2.gz AUFLBOWADWEBQV-HSZRJFAPSA-N 0 0 419.452 4.896 50 0 HJAARN COC(=O)[C@H](NC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)[C@@H](C)c1ccccc1 ZINC000247971593 523918382 /nfs/dbraw/zinc/91/83/82/523918382.db2.gz DMRRQZOCACEOCW-MDVLYUJXSA-N 0 0 406.309 4.558 50 0 HJAARN CN(C(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)[C@@H]1CCCc2ccccc21 ZINC000032909375 523930833 /nfs/dbraw/zinc/93/08/33/523930833.db2.gz UPQKDBHGMJOUAQ-XMMPIXPASA-N 0 0 424.500 4.632 50 0 HJAARN COCCNC(=O)c1sc2c(cnc3ccc(OC)cc23)c1-c1ccc(C)cc1 ZINC000045943792 523931546 /nfs/dbraw/zinc/93/15/46/523931546.db2.gz ZIMZEYRVWVPQFJ-UHFFFAOYSA-N 0 0 406.507 4.810 50 0 HJAARN COc1ccc(CCNC(=O)C2=Cc3sc4c(c3CS2)CCCC4)cc1OC ZINC000020557432 523953774 /nfs/dbraw/zinc/95/37/74/523953774.db2.gz BDFGKFYBCBGUMX-UHFFFAOYSA-N 0 0 415.580 4.591 50 0 HJAARN CCc1ccc(OCC(=O)NC(=S)Nc2ccc(C)cc2C)c(Br)c1 ZINC000000676756 524003241 /nfs/dbraw/zinc/00/32/41/524003241.db2.gz ZLLYDCCBOVQMFM-UHFFFAOYSA-N 0 0 421.360 4.520 50 0 HJAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(OC)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000045928186 524018483 /nfs/dbraw/zinc/01/84/83/524018483.db2.gz SAXRDGLYOLOLOY-HSZRJFAPSA-N 0 0 419.452 4.896 50 0 HJAARN CCc1cccc(C)c1NC(=O)[C@H]1CCCN(c2nc(C)nc3oc(C)c(C)c32)C1 ZINC000032960312 524065396 /nfs/dbraw/zinc/06/53/96/524065396.db2.gz ZQRZNPPLFXZJRS-IBGZPJMESA-N 0 0 406.530 4.874 50 0 HJAARN COc1ccc(C[C@H](Cc2ccc3c(c2)OCO3)NC(=O)Nc2cccc(C)c2)cc1 ZINC000032948751 524155572 /nfs/dbraw/zinc/15/55/72/524155572.db2.gz YBAHPXSTENCXCD-OAQYLSRUSA-N 0 0 418.493 4.708 50 0 HJAARN COc1ccc(Cl)c(NC(=O)[C@@H]2CC(=O)Nc3cc(-c4ccc(F)cc4)nn32)c1 ZINC000032092535 524185477 /nfs/dbraw/zinc/18/54/77/524185477.db2.gz LTFUXWWMSYHCCW-KRWDZBQOSA-N 0 0 414.824 4.523 50 0 HJAARN C[C@@H](CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000032966548 524340802 /nfs/dbraw/zinc/34/08/02/524340802.db2.gz LQWJMIULSXSOJG-ZDUSSCGKSA-N 0 0 412.839 4.950 50 0 HJAARN C[C@H]1CCc2[nH]c3c(cccc3C(=O)Nc3cccc(NC(=O)NC4CC4)c3)c2C1 ZINC000030731022 524432742 /nfs/dbraw/zinc/43/27/42/524432742.db2.gz ILJKIEDMBTVBPP-AWEZNQCLSA-N 0 0 402.498 4.829 50 0 HJAARN COc1ccc(NC(=O)[C@H]2CC(=O)Nc3c(C)c(-c4cccc(Cl)c4)nn32)cc1 ZINC000032089461 524612494 /nfs/dbraw/zinc/61/24/94/524612494.db2.gz MZQHGDZDIUOQBO-QGZVFWFLSA-N 0 0 410.861 4.692 50 0 HJAARN Cc1cccc(NC(=O)c2ccc(Oc3ccc(F)cc3Br)nc2)n1 ZINC000044908723 524660468 /nfs/dbraw/zinc/66/04/68/524660468.db2.gz IZJDPHNKMXTPHU-UHFFFAOYSA-N 0 0 402.223 4.731 50 0 HJAARN Cc1cc(CSc2ncccc2C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)no1 ZINC000032740809 524820124 /nfs/dbraw/zinc/82/01/24/524820124.db2.gz OKNYDPCOERCMIR-UHFFFAOYSA-N 0 0 421.444 4.961 50 0 HJAARN COc1ccc(OCCCSCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000009882687 524949296 /nfs/dbraw/zinc/94/92/96/524949296.db2.gz HRYKSXGBKLUITI-UHFFFAOYSA-N 0 0 410.333 4.599 50 0 HJAARN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)CSc1ccc(Br)cc1 ZINC000032930677 525023740 /nfs/dbraw/zinc/02/37/40/525023740.db2.gz AOTMZUZCQULULP-UHFFFAOYSA-N 0 0 419.344 4.837 50 0 HJAARN Cc1ccccc1C(=O)N1CCC(C(=O)N2CCSc3ccc(Cl)cc32)CC1 ZINC000032801992 525044223 /nfs/dbraw/zinc/04/42/23/525044223.db2.gz YEBJBTQMBCSTQY-UHFFFAOYSA-N 0 0 414.958 4.640 50 0 HJAARN Cc1cc(NC(=O)C2CCN(c3nccnc3Oc3ccccc3)CC2)ccc1F ZINC000033141989 525119504 /nfs/dbraw/zinc/11/95/04/525119504.db2.gz ZSQBFIGSXZZPCK-UHFFFAOYSA-N 0 0 406.461 4.572 50 0 HJAARN Cc1ccc(NC(=O)N2CCC(n3c4ncccc4nc3C(F)(F)F)CC2)cc1C ZINC000032949929 525122326 /nfs/dbraw/zinc/12/23/26/525122326.db2.gz OPYFXSOVBULWJN-UHFFFAOYSA-N 0 0 417.435 4.936 50 0 HJAARN C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)c1cccs1)c1ccc(Cl)c(Cl)c1 ZINC000032908317 525135987 /nfs/dbraw/zinc/13/59/87/525135987.db2.gz RQSBZQIUDNJZTA-LRDDRELGSA-N 0 0 411.354 4.927 50 0 HJAARN COc1ccc([C@@H](CC(=O)Nc2cccc(F)c2)N2Cc3ccccc3C2=O)cc1 ZINC000020560612 525171807 /nfs/dbraw/zinc/17/18/07/525171807.db2.gz BCMHRXSZYFYZSQ-JOCHJYFZSA-N 0 0 404.441 4.560 50 0 HJAARN Cc1ccccc1N1C[C@H](c2nc3ccccc3n2CC(=O)c2ccccc2)CC1=O ZINC000040251590 525225624 /nfs/dbraw/zinc/22/56/24/525225624.db2.gz OWEWEIDIXRFTHO-HXUWFJFHSA-N 0 0 409.489 4.748 50 0 HJAARN COc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccccc2Cl)c(OC)c1OC ZINC000040284129 525238573 /nfs/dbraw/zinc/23/85/73/525238573.db2.gz GLWSUNDWRHJCRF-ZDUSSCGKSA-N 0 0 413.861 4.675 50 0 HJAARN COc1ccc([C@H](CC(=O)Nc2ccccc2C)N2Cc3ccccc3C2=O)cc1 ZINC000020560752 525346872 /nfs/dbraw/zinc/34/68/72/525346872.db2.gz KHVCVMGGRAYHHB-QHCPKHFHSA-N 0 0 400.478 4.730 50 0 HJAARN COc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2ccccc2Cl)c(OC)c1OC ZINC000040284131 525405311 /nfs/dbraw/zinc/40/53/11/525405311.db2.gz GLWSUNDWRHJCRF-CYBMUJFWSA-N 0 0 413.861 4.675 50 0 HJAARN COc1ccc2cc([C@H](C)C(=O)N[C@H](c3nccn3C)c3ccc(F)cc3)ccc2c1 ZINC000032830708 525640990 /nfs/dbraw/zinc/64/09/90/525640990.db2.gz FBUADDGIKLEDFL-HJPURHCSSA-N 0 0 417.484 4.730 50 0 HJAARN Cc1cc2nc(CSc3ccccc3NC(=O)/C=C/c3ccccc3)cc(=O)n2o1 ZINC000041085580 525676225 /nfs/dbraw/zinc/67/62/25/525676225.db2.gz IVMZIEFLAOHCKH-VAWYXSNFSA-N 0 0 417.490 4.540 50 0 HJAARN C[C@H](Nc1nc(-c2ccccc2)nc2ccccc21)c1ccc(NS(C)(=O)=O)cc1 ZINC000040149324 525676642 /nfs/dbraw/zinc/67/66/42/525676642.db2.gz FELKKDWXQOBBMS-INIZCTEOSA-N 0 0 418.522 4.841 50 0 HJAARN COc1cccc(-c2nc(CN(C)Cc3nc4c(s3)CCCC4)c(C)o2)c1OC ZINC000020598386 525722926 /nfs/dbraw/zinc/72/29/26/525722926.db2.gz HFWVNUJTRSGDDP-UHFFFAOYSA-N 0 0 413.543 4.635 50 0 HJAARN COc1cccc(-c2nn(-c3cccc(F)c3)cc2CCC(=O)NCCC(C)C)c1 ZINC000032975065 525728360 /nfs/dbraw/zinc/72/83/60/525728360.db2.gz OYKBQMPNUDWQED-UHFFFAOYSA-N 0 0 409.505 4.782 50 0 HJAARN C[C@@]1(C(=O)NC2CCCCCCC2)Cc2ccccc2C(=O)N1Cc1cccs1 ZINC000020387114 525795462 /nfs/dbraw/zinc/79/54/62/525795462.db2.gz UDCNOVIONNCGNE-DEOSSOPVSA-N 0 0 410.583 4.934 50 0 HJAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2S(=O)(=O)c2ccccc2)cc1 ZINC000040451072 525868120 /nfs/dbraw/zinc/86/81/20/525868120.db2.gz XDZMCBHSWKQBPZ-XMMPIXPASA-N 0 0 402.519 4.813 50 0 HJAARN COc1cccc(CC(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)c1 ZINC000032961073 525875454 /nfs/dbraw/zinc/87/54/54/525875454.db2.gz UHVRRWFHYZINHO-UHFFFAOYSA-N 0 0 417.490 4.738 50 0 HJAARN Cc1cn2c(nc(COc3cc(NC(=O)c4ccc(C)cc4)ccc3C)cc2=O)s1 ZINC000041077365 525941942 /nfs/dbraw/zinc/94/19/42/525941942.db2.gz HTNQNQZQPNGDPC-UHFFFAOYSA-N 0 0 419.506 4.513 50 0 HJAARN C[C@H](Sc1nc(-c2ccco2)nc2ccccc21)C(=O)N1CCc2ccccc21 ZINC000032868664 526001196 /nfs/dbraw/zinc/00/11/96/526001196.db2.gz VVNHYEJKCAKCKC-HNNXBMFYSA-N 0 0 401.491 4.960 50 0 HJAARN COc1cccc(NC(=O)N[C@@H](Cc2ccc(F)cc2)Cc2ccc3c(c2)OCO3)c1 ZINC000032948858 526192860 /nfs/dbraw/zinc/19/28/60/526192860.db2.gz HDJTYGFXHCQSOZ-FQEVSTJZSA-N 0 0 422.456 4.539 50 0 HJAARN O=C(C1CCCC1)N1CCCN(c2nc(-c3ccsc3)nc3ccccc32)CC1 ZINC000032826139 526295270 /nfs/dbraw/zinc/29/52/70/526295270.db2.gz URSNULXAKZMARA-UHFFFAOYSA-N 0 0 406.555 4.587 50 0 HJAARN O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCCC1)c1cc(-c2cccs2)on1 ZINC000032622925 526490078 /nfs/dbraw/zinc/49/00/78/526490078.db2.gz LPZUHHSKODBMAE-KRWDZBQOSA-N 0 0 401.919 4.623 50 0 HJAARN O=C(NC[C@H]1CCCc2ccccc21)c1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000044473486 526611244 /nfs/dbraw/zinc/61/12/44/526611244.db2.gz JNHMZBYHLNBBHA-JOCHJYFZSA-N 0 0 419.546 4.510 50 0 HJAARN O=C(NCc1ccc(F)c(Cl)c1)[C@@H]1CCCN(c2nccc3sccc32)C1 ZINC000033299697 526667066 /nfs/dbraw/zinc/66/70/66/526667066.db2.gz DCGHVTMFDOPMAN-CQSZACIVSA-N 0 0 403.910 4.622 50 0 HJAARN O=C(c1cccc(Cl)c1)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)N1CCc2ccccc2C1 ZINC000241383257 526759828 /nfs/dbraw/zinc/75/98/28/526759828.db2.gz MTRSMWJNQZVTQA-NMNUPHIUSA-N 0 0 422.956 4.698 50 0 HJAARN O=C(CNc1ccc(Cl)cc1NC(=O)c1ccco1)Nc1cc(F)ccc1F ZINC000032932739 526895173 /nfs/dbraw/zinc/89/51/73/526895173.db2.gz HQMPWOMGGHZVDP-UHFFFAOYSA-N 0 0 405.788 4.514 50 0 HJAARN O=C(COc1ccc2ccccc2c1Br)N1CCC[C@@H]1c1ccncc1 ZINC000032809328 526972720 /nfs/dbraw/zinc/97/27/20/526972720.db2.gz NBDGTEGKXKZGCF-GOSISDBHSA-N 0 0 411.299 4.740 50 0 HJAARN O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000032475355 527007509 /nfs/dbraw/zinc/00/75/09/527007509.db2.gz NBIYSJFNGSFRJN-DENIHFKCSA-N 0 0 422.912 4.691 50 0 HJAARN O=C(CSc1nc2ccccc2s1)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000032776629 527064964 /nfs/dbraw/zinc/06/49/64/527064964.db2.gz DXFWCQXSZOFTHR-INIZCTEOSA-N 0 0 400.525 4.585 50 0 HJAARN O=C1N[C@H](c2ccc(OCc3ccccc3)c(Br)c2)Nc2ccccc21 ZINC000032666128 527086653 /nfs/dbraw/zinc/08/66/53/527086653.db2.gz GGWSNJPKNOHUPQ-HXUWFJFHSA-N 0 0 409.283 4.882 50 0 HJAARN Cc1nc2cc(Cl)ccc2cc1C(=O)NCc1cccc(NC(=O)c2ccco2)c1 ZINC000032817402 527118842 /nfs/dbraw/zinc/11/88/42/527118842.db2.gz SVHIQLHGJHWHIO-UHFFFAOYSA-N 0 0 419.868 4.972 50 0 HJAARN O=C(Nc1ccc(Br)cc1)c1cnn(-c2ccc(Br)cc2)c1 ZINC000045941282 527157171 /nfs/dbraw/zinc/15/71/71/527157171.db2.gz DZBOZFQAEZSKKM-UHFFFAOYSA-N 0 0 421.092 4.650 50 0 HJAARN O=S(=O)(Cc1ccccc1)Oc1ccc2c(c1)onc2-c1cc(F)c(F)c(F)c1 ZINC000032073950 527196878 /nfs/dbraw/zinc/19/68/78/527196878.db2.gz BCFVYYZFGHCLCS-UHFFFAOYSA-N 0 0 419.380 4.821 50 0 HJAARN O=C(Cc1ccc(Cl)cc1)NC[C@H](c1ccsc1)N1CCc2ccccc2C1 ZINC000022766023 527222435 /nfs/dbraw/zinc/22/24/35/527222435.db2.gz VAPLPJYMIYOKKA-JOCHJYFZSA-N 0 0 410.970 4.860 50 0 HJAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000032909023 527249041 /nfs/dbraw/zinc/24/90/41/527249041.db2.gz WHTSXNVQOLRNPH-HSZRJFAPSA-N 0 0 416.477 4.635 50 0 HJAARN O=C(Cc1ccccc1)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000020510111 527282588 /nfs/dbraw/zinc/28/25/88/527282588.db2.gz XJEVWFJHBBNQGO-OAQYLSRUSA-N 0 0 403.869 4.838 50 0 HJAARN Nc1c(Cl)ncnc1Oc1cc(-c2ccc(F)cc2F)nn1-c1ccc(F)cc1 ZINC000040428610 527433481 /nfs/dbraw/zinc/43/34/81/527433481.db2.gz QIFCDOHDWVAMDC-UHFFFAOYSA-N 0 0 417.778 4.775 50 0 HJAARN O=C(Nc1ccccn1)[C@H]1CCCN(c2nc(-c3cccs3)nc3ccccc32)C1 ZINC000040149359 527439956 /nfs/dbraw/zinc/43/99/56/527439956.db2.gz ZIMORSRETYMKCX-INIZCTEOSA-N 0 0 415.522 4.608 50 0 HJAARN COc1ccc(-c2csc(NC(=O)c3ccc(N4CCCCC4=O)cc3)n2)cc1 ZINC000012899179 536499460 /nfs/dbraw/zinc/49/94/60/536499460.db2.gz KETFJXRAAVIZSU-UHFFFAOYSA-N 0 0 407.495 4.588 50 0 HJAARN COc1ccccc1N1CCN(c2ncnc3sc(-c4ccccc4)cc32)CC1 ZINC000000628293 537071848 /nfs/dbraw/zinc/07/18/48/537071848.db2.gz VUPGVMHWDMZTJI-UHFFFAOYSA-N 0 0 402.523 4.694 50 0 HJAARN O=C(N[C@@H](Nc1ccc(Br)cc1)C(=O)c1ccccc1)c1ccccc1 ZINC000000625071 557021492 /nfs/dbraw/zinc/02/14/92/557021492.db2.gz WQOBVRBXAXULBN-HXUWFJFHSA-N 0 0 409.283 4.500 50 0 HJAARN COc1ccc(C(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)cc1F ZINC000000631220 557026659 /nfs/dbraw/zinc/02/66/59/557026659.db2.gz XUFBTMSEJRBFTN-UHFFFAOYSA-N 0 0 404.393 4.869 50 0 biogenic HJAARN CCOC(=O)c1cc(C(=O)c2ccc(OC)cc2)n2cnc(-c3ccc(C)cc3)cc12 ZINC000000633103 557027929 /nfs/dbraw/zinc/02/79/29/557027929.db2.gz QSKHSOHSLGNVSB-UHFFFAOYSA-N 0 0 414.461 4.726 50 0 HJAARN CCOC(=O)c1cc(C(=O)c2ccc(OC)c(OC)c2)n2c1ccc1ccccc12 ZINC000000633141 557027932 /nfs/dbraw/zinc/02/79/32/557027932.db2.gz SMBVMBUSVCZUIR-UHFFFAOYSA-N 0 0 403.434 4.517 50 0 HJAARN COc1cccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2cccs2)c1 ZINC000000635807 557029557 /nfs/dbraw/zinc/02/95/57/557029557.db2.gz MCAJAZHGTAIUBK-FCHUYYIVSA-N 0 0 414.490 4.561 50 0 HJAARN CCn1c(SCC(=O)Nc2cccc(F)c2C)nnc1-c1ccc(Cl)cc1 ZINC000000639458 557031452 /nfs/dbraw/zinc/03/14/52/557031452.db2.gz LDXBWRAKOLEZNM-UHFFFAOYSA-N 0 0 404.898 4.797 50 0 HJAARN Cc1ccc(NC(=O)NCCc2ccccc2)cc1NC(=O)NCCc1ccccc1 ZINC000000640634 557032275 /nfs/dbraw/zinc/03/22/75/557032275.db2.gz VNGNFKRZMKRWRP-UHFFFAOYSA-N 0 0 416.525 4.723 50 0 HJAARN C[C@H]1Cc2ccccc2N1C(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000000646538 557036239 /nfs/dbraw/zinc/03/62/39/557036239.db2.gz QKPDZKMZTWBXRN-LBPRGKRZSA-N 0 0 419.428 4.825 50 0 HJAARN CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3c(F)cccc3F)CC2)cc1 ZINC000000663904 557044519 /nfs/dbraw/zinc/04/45/19/557044519.db2.gz FBILEHJOSSWOAM-UHFFFAOYSA-N 0 0 400.469 4.753 50 0 HJAARN O=C(Nc1cccnc1Cl)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000000673937 557050773 /nfs/dbraw/zinc/05/07/73/557050773.db2.gz GTTFBRYMKQDKAA-GJZGRUSLSA-N 0 0 421.810 4.844 50 0 HJAARN O=C(Nc1cccnc1Cl)c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000000673935 557050833 /nfs/dbraw/zinc/05/08/33/557050833.db2.gz GTTFBRYMKQDKAA-CABCVRRESA-N 0 0 421.810 4.844 50 0 HJAARN C[C@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C)c1ccccc1 ZINC000000681347 557055854 /nfs/dbraw/zinc/05/58/54/557055854.db2.gz KLAPKXCANBCPHW-LBPRGKRZSA-N 0 0 421.353 4.758 50 0 HJAARN C[C@@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C)c1ccccc1 ZINC000000681348 557055878 /nfs/dbraw/zinc/05/58/78/557055878.db2.gz KLAPKXCANBCPHW-GFCCVEGCSA-N 0 0 421.353 4.758 50 0 HJAARN COC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(Cl)c(Cl)cc1Cl ZINC000000682512 557056568 /nfs/dbraw/zinc/05/65/68/557056568.db2.gz GCOZIEGUVVCMCH-VIFPVBQESA-N 0 0 402.661 4.839 50 0 HJAARN COC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(Cl)c(Cl)cc1Cl ZINC000000682513 557056586 /nfs/dbraw/zinc/05/65/86/557056586.db2.gz GCOZIEGUVVCMCH-SECBINFHSA-N 0 0 402.661 4.839 50 0 HJAARN Fc1ccccc1CSc1nnc2c(n1)O[C@H](c1ccccn1)Nc1ccccc1-2 ZINC000000683751 557057791 /nfs/dbraw/zinc/05/77/91/557057791.db2.gz AVMZCEMSALPTKL-HXUWFJFHSA-N 0 0 417.469 4.868 50 0 HJAARN COc1ccc(Nc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000000704065 557063139 /nfs/dbraw/zinc/06/31/39/557063139.db2.gz WTCRACIGBWPZCE-UHFFFAOYSA-N 0 0 414.414 4.659 50 0 HJAARN COc1ccccc1[C@@H]1CC(c2ccc(C)cc2)=NN1S(=O)(=O)c1ccc(C)cc1 ZINC000000710110 557065875 /nfs/dbraw/zinc/06/58/75/557065875.db2.gz FQDJPDYSJDDRFH-QHCPKHFHSA-N 0 0 420.534 4.852 50 0 HJAARN CC1=C(C(=O)OC2CCCCCCC2)[C@@H](c2cccc(Br)c2)NC(=O)N1 ZINC000000715196 557067533 /nfs/dbraw/zinc/06/75/33/557067533.db2.gz LVVNDKGRYMDMRY-GOSISDBHSA-N 0 0 421.335 4.733 50 0 HJAARN COc1cc(C=O)cc(Br)c1OCc1ccccc1Br ZINC000000717116 557068451 /nfs/dbraw/zinc/06/84/51/557068451.db2.gz ZUEWQKKULVQKID-UHFFFAOYSA-N 0 0 400.066 4.612 50 0 biogenic,in-vitro HJAARN COc1ccc([C@H]2[C@H](Oc3ccccc3C)C(=O)N2c2ccc(F)cc2)cc1OC ZINC000000720729 557070374 /nfs/dbraw/zinc/07/03/74/557070374.db2.gz FFLVBTVPLFNGFL-GOTSBHOMSA-N 0 0 407.441 4.687 50 0 HJAARN Cc1ccc(-n2nnnc2-c2cnc(-c3cccs3)nc2-c2ccccc2F)cc1 ZINC000000721454 557070519 /nfs/dbraw/zinc/07/05/19/557070519.db2.gz WDGLRZZSLSCFDQ-UHFFFAOYSA-N 0 0 414.469 4.962 50 0 HJAARN Cc1nn(S(=O)(=O)c2ccc(Br)cc2)c(C)c1Sc1ccccc1 ZINC000000754992 557076636 /nfs/dbraw/zinc/07/66/36/557076636.db2.gz NAJXESDCBYZGKW-UHFFFAOYSA-N 0 0 423.357 4.651 50 0 HJAARN CCOC(=O)c1c2cc(O)c(Br)cc2n(C)c1CSc1ccccn1 ZINC000000778188 557077617 /nfs/dbraw/zinc/07/76/17/557077617.db2.gz FMNDPFCKXGYZTH-UHFFFAOYSA-N 0 0 421.316 4.510 50 0 HJAARN COc1cc(C(=O)Nc2ccc3c(c2)ncn3-c2ccc(C)cc2)cc(OC)c1OC ZINC000000789742 557081073 /nfs/dbraw/zinc/08/10/73/557081073.db2.gz NOKUVISFOPVZHM-UHFFFAOYSA-N 0 0 417.465 4.612 50 0 HJAARN CC1CCN(C(=O)c2nn3c(nc(-c4ccccc4)cc3C(F)(F)F)c2Cl)CC1 ZINC000000825562 557093821 /nfs/dbraw/zinc/09/38/21/557093821.db2.gz IRWNGHSMJCECGZ-UHFFFAOYSA-N 0 0 422.838 4.941 50 0 HJAARN COc1cc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc(OC)c1OC ZINC000000830178 557095197 /nfs/dbraw/zinc/09/51/97/557095197.db2.gz AIDJWZIOMBFHID-UHFFFAOYSA-N 0 0 403.438 4.508 50 0 HJAARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(Oc3ccccc3)c2)NC(=O)N1 ZINC000000844402 557098649 /nfs/dbraw/zinc/09/86/49/557098649.db2.gz JHZLCTKIXHDGJV-JOCHJYFZSA-N 0 0 406.482 4.983 50 0 HJAARN O=C(Nc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccccc1Br ZINC000000857447 557103366 /nfs/dbraw/zinc/10/33/66/557103366.db2.gz KCIDKKUYGPRWRD-HMMYKYKNSA-N 0 0 421.294 4.859 50 0 HJAARN CCOC(=O)c1c(C)c(C(=O)Nc2cccc(Cl)c2C)sc1NC(=O)C1CC1 ZINC000000863538 557104845 /nfs/dbraw/zinc/10/48/45/557104845.db2.gz GVKJYZSMHGFLMU-UHFFFAOYSA-N 0 0 420.918 4.796 50 0 HJAARN O=C(Nc1ccc(F)cc1F)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000000866720 557106255 /nfs/dbraw/zinc/10/62/55/557106255.db2.gz KNZXMOBTPOJPNI-DZGCQCFKSA-N 0 0 412.318 4.667 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C ZINC000000869911 557107099 /nfs/dbraw/zinc/10/70/99/557107099.db2.gz ZBMJTILGPQSPDP-UHFFFAOYSA-N 0 0 407.326 4.828 50 0 HJAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c1C ZINC000000888568 557111668 /nfs/dbraw/zinc/11/16/68/557111668.db2.gz SYJCGPDGKGXTEQ-UHFFFAOYSA-N 0 0 415.522 4.677 50 0 HJAARN CCOc1ccccc1NC1=C(Cl)C(=O)N(c2ccc(Cl)cc2Cl)C1=O ZINC000000939923 557121135 /nfs/dbraw/zinc/12/11/35/557121135.db2.gz XARVKUDQOHVZER-UHFFFAOYSA-N 0 0 411.672 4.828 50 0 HJAARN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1c(OC)cccc1OC ZINC000000941816 557121575 /nfs/dbraw/zinc/12/15/75/557121575.db2.gz LEPDKVDXYSQVIN-UHFFFAOYSA-N 0 0 411.479 4.861 50 0 HJAARN CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)c1ccc2c(c1)OCCO2 ZINC000000947749 557123420 /nfs/dbraw/zinc/12/34/20/557123420.db2.gz YBDLBRXWFZVGGQ-UHFFFAOYSA-N 0 0 413.451 4.517 50 0 HJAARN Cc1ccc(C(=O)CSc2nnc(-c3ccccc3Br)n2C)cc1 ZINC000000976248 557128777 /nfs/dbraw/zinc/12/87/77/557128777.db2.gz JBQPADXCFAJCGV-UHFFFAOYSA-N 0 0 402.317 4.528 50 0 HJAARN Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4cccnc4)cc3)oc2cc1C ZINC000000977585 557129492 /nfs/dbraw/zinc/12/94/92/557129492.db2.gz KTHOGPYMSJHKSD-UHFFFAOYSA-N 0 0 402.479 4.633 50 0 HJAARN Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(Br)o4)cc3n2)cc1C ZINC000000989991 557133862 /nfs/dbraw/zinc/13/38/62/557133862.db2.gz YYJQJKMFOIRDQD-UHFFFAOYSA-N 0 0 411.259 4.645 50 0 HJAARN COC(=O)c1ccccc1N1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000000990332 557134279 /nfs/dbraw/zinc/13/42/79/557134279.db2.gz VDCCYRUBCLOSAV-UHFFFAOYSA-N 0 0 419.047 4.887 50 0 HJAARN COc1ccc(C(=O)[C@H](OC(=O)c2ccc(Br)o2)c2ccccc2)cc1 ZINC000000990832 557134467 /nfs/dbraw/zinc/13/44/67/557134467.db2.gz QLZDLLAEKFONRK-LJQANCHMSA-N 0 0 415.239 4.832 50 0 HJAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3cc(C)cc(C)c3)cc2)cc1 ZINC000000992678 557135317 /nfs/dbraw/zinc/13/53/17/557135317.db2.gz IUMNTPNGSKKARN-UHFFFAOYSA-N 0 0 410.495 4.855 50 0 HJAARN CCOc1cc(C(=O)Nc2ccccc2Br)cc(OCC)c1OCC ZINC000000997056 557138151 /nfs/dbraw/zinc/13/81/51/557138151.db2.gz JCRFZBNWCJFUSP-UHFFFAOYSA-N 0 0 408.292 4.898 50 0 HJAARN O=C(Nc1cccc(O)c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2 ZINC000000999348 557139518 /nfs/dbraw/zinc/13/95/18/557139518.db2.gz PKGUJJXNNOMNEP-DOMZBBRYSA-N 0 0 408.405 4.563 50 0 HJAARN CCOC(=O)c1c(NC(=O)Nc2ccccc2)sc2c1[C@@H](C(=O)OCC)CCC2 ZINC000001016692 557143094 /nfs/dbraw/zinc/14/30/94/557143094.db2.gz ACHDZAUUCQYXHW-AWEZNQCLSA-N 0 0 416.499 4.552 50 0 HJAARN O=C(CN1CCc2ccccc21)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc(F)cc1 ZINC000001016859 557143101 /nfs/dbraw/zinc/14/31/01/557143101.db2.gz SVVOVIJFVPMWEJ-XMMPIXPASA-N 0 0 417.459 4.705 50 0 HJAARN C[C@H](Oc1ccc(Br)cc1Br)C(=O)Nc1cccc(F)c1 ZINC000001017079 557143338 /nfs/dbraw/zinc/14/33/38/557143338.db2.gz HCERPOUMDXFXCE-VIFPVBQESA-N 0 0 417.072 4.757 50 0 HJAARN O=C(CSc1nnc(-c2cccc3ccccc32)o1)Nc1cccc2nsnc21 ZINC000001018826 557143645 /nfs/dbraw/zinc/14/36/45/557143645.db2.gz YHDALJNAHBUQPW-UHFFFAOYSA-N 0 0 419.491 4.625 50 0 HJAARN O=C(NC[C@H]1CCCO1)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 ZINC000001020529 557143861 /nfs/dbraw/zinc/14/38/61/557143861.db2.gz NLBDFHYGHSJUSR-OAHLLOKOSA-N 0 0 421.444 4.528 50 0 HJAARN COC(=O)c1sc(-c2cccs2)cc1NC(=O)c1ccc(OC)c(OC)c1 ZINC000001027842 557145565 /nfs/dbraw/zinc/14/55/65/557145565.db2.gz JBJZEHYSFYGFMO-UHFFFAOYSA-N 0 0 403.481 4.533 50 0 HJAARN COc1cc2c(cc1OC)[C@H](C)N(C(=O)Nc1ccc(OC(F)(F)F)cc1)CC2 ZINC000001033241 557148449 /nfs/dbraw/zinc/14/84/49/557148449.db2.gz YVCCNDOWTLUQGI-LBPRGKRZSA-N 0 0 410.392 4.754 50 0 HJAARN CSc1scc(NC(=O)Nc2cccc(Cl)c2)c1S(=O)(=O)C(C)C ZINC000001040024 557152639 /nfs/dbraw/zinc/15/26/39/557152639.db2.gz 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Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)ccc1C ZINC000001116454 557187462 /nfs/dbraw/zinc/18/74/62/557187462.db2.gz YMLPFYWRWMPYFI-GOSISDBHSA-N 0 0 408.523 4.595 50 0 HJAARN CCn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc(Br)cc1 ZINC000001117300 557188136 /nfs/dbraw/zinc/18/81/36/557188136.db2.gz JEYJHBAZCPLWIR-UHFFFAOYSA-N 0 0 416.344 4.626 50 0 HJAARN O=C(CSc1ccccc1)Nc1cccc(NC(=O)CSc2ccccc2)n1 ZINC000001117867 557188788 /nfs/dbraw/zinc/18/87/88/557188788.db2.gz GONDEYQBPULAAZ-UHFFFAOYSA-N 0 0 409.536 4.543 50 0 HJAARN COC(=O)C1=CN(C2CCCCC2)C=C(C(=O)OC)C1c1ccc(C(F)(F)F)cc1 ZINC000001122490 557192373 /nfs/dbraw/zinc/19/23/73/557192373.db2.gz YAZJCLGYBYZLDJ-UHFFFAOYSA-N 0 0 423.431 4.551 50 0 HJAARN NS(=O)(=O)c1ccc(Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000001123645 557193428 /nfs/dbraw/zinc/19/34/28/557193428.db2.gz BPEJCDYFHOLOAR-UHFFFAOYSA-N 0 0 400.312 4.508 50 0 HJAARN O=C(CSc1nc2ccccc2c(=O)n1CCc1ccccc1)c1ccc(F)cc1 ZINC000001124176 557194076 /nfs/dbraw/zinc/19/40/76/557194076.db2.gz 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557212306 /nfs/dbraw/zinc/21/23/06/557212306.db2.gz YZCXIUXJHJBUKE-INIZCTEOSA-N 0 0 415.331 4.566 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)c1cc(I)ccc1Cl ZINC000001157898 557215571 /nfs/dbraw/zinc/21/55/71/557215571.db2.gz YHVNMIWLYPXLMF-UHFFFAOYSA-N 0 0 422.049 4.859 50 0 HJAARN COc1cccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000001163015 557219359 /nfs/dbraw/zinc/21/93/59/557219359.db2.gz FGTDFTCAYYCPBY-UHFFFAOYSA-N 0 0 423.852 4.641 50 0 HJAARN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C)ccc2C)cc1 ZINC000001165050 557220295 /nfs/dbraw/zinc/22/02/95/557220295.db2.gz UMTXXSWPQTUPGW-UHFFFAOYSA-N 0 0 424.522 4.755 50 0 HJAARN COc1ccc(-n2nc3cc(C)c(NC(=O)Cc4ccccc4)cc3n2)cc1Cl ZINC000001166718 557221167 /nfs/dbraw/zinc/22/11/67/557221167.db2.gz DRVSLKFSGXHJOK-UHFFFAOYSA-N 0 0 406.873 4.572 50 0 HJAARN Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccccc4F)ccc3O)nc2c1 ZINC000001169784 557222991 /nfs/dbraw/zinc/22/29/91/557222991.db2.gz CCQZSKYVXNHLHG-UHFFFAOYSA-N 0 0 421.453 4.775 50 0 HJAARN COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc2ccccc2c1 ZINC000001171483 557224326 /nfs/dbraw/zinc/22/43/26/557224326.db2.gz UWJVHCGUHDJLOI-UHFFFAOYSA-N 0 0 415.312 4.738 50 0 HJAARN COc1cccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)c1 ZINC000001173699 557226172 /nfs/dbraw/zinc/22/61/72/557226172.db2.gz MFFDCNKFUFIHKS-UHFFFAOYSA-N 0 0 417.490 4.939 50 0 HJAARN CCC(=O)Nc1cccc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2Cl)c1 ZINC000001180119 557229862 /nfs/dbraw/zinc/22/98/62/557229862.db2.gz DBUWXXDFEVYXGC-VQHVLOKHSA-N 0 0 422.337 4.868 50 0 HJAARN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccccc1C(F)(F)F ZINC000001180889 557230545 /nfs/dbraw/zinc/23/05/45/557230545.db2.gz NPFUJIQVIZCKTC-UHFFFAOYSA-N 0 0 404.413 4.994 50 0 HJAARN O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ccc2c(c1)OCCO2 ZINC000001182499 557231776 /nfs/dbraw/zinc/23/17/76/557231776.db2.gz DKHGYOLFMHBYKV-UHFFFAOYSA-N 0 0 417.490 4.528 50 0 HJAARN Cc1ccc2sc(-c3ccc(NC(=S)NC(=O)c4cccnc4)cc3)nc2c1 ZINC000001183578 557232352 /nfs/dbraw/zinc/23/23/52/557232352.db2.gz 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557253160 /nfs/dbraw/zinc/25/31/60/557253160.db2.gz UFOLLCAMDKIEHB-UHFFFAOYSA-N 0 0 424.309 4.705 50 0 HJAARN Cc1cc(C)c(OCC(=O)Nc2ccccc2OC(F)F)c(Br)c1 ZINC000001312010 557254961 /nfs/dbraw/zinc/25/49/61/557254961.db2.gz SJDCDKKNLKEKQR-UHFFFAOYSA-N 0 0 400.219 4.685 50 0 HJAARN CNC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc2oc3ccccc3c2c1 ZINC000001428653 557262020 /nfs/dbraw/zinc/26/20/20/557262020.db2.gz MIWZTLXVWVAEIK-QHCPKHFHSA-N 0 0 408.461 4.971 50 0 HJAARN O=C(Nc1cccc(Cl)c1)Nc1cc2c(cc1[C@@H](O)c1ccccc1)OCCO2 ZINC000001443703 557265126 /nfs/dbraw/zinc/26/51/26/557265126.db2.gz HSWFGWKFYADUPF-NRFANRHFSA-N 0 0 410.857 4.837 50 0 HJAARN Cn1c(COc2cccc3cccnc32)nnc1SCC(=O)c1ccc(Cl)cc1 ZINC000001468063 557269202 /nfs/dbraw/zinc/26/92/02/557269202.db2.gz JNIWRWBOVJKFOD-UHFFFAOYSA-N 0 0 424.913 4.571 50 0 HJAARN Nc1c2ccc(-c3cccnc3)nc2sc1C(=O)c1cccc(Br)c1 ZINC000001472211 557269412 /nfs/dbraw/zinc/26/94/12/557269412.db2.gz MUEJOAJJUJFCPH-UHFFFAOYSA-N 0 0 410.296 4.934 50 0 HJAARN COc1ccc(CC(=O)N2CCC(n3nc(C(C)C)cc3C(C)C)CC2)cc1OC ZINC000022629205 557284590 /nfs/dbraw/zinc/28/45/90/557284590.db2.gz QAKNWXINYZKBGL-UHFFFAOYSA-N 0 0 413.562 4.553 50 0 HJAARN CCOC(=O)c1c(NC(=O)CCCOc2cccc(C)c2)sc2c1CCCC2 ZINC000001773754 557286116 /nfs/dbraw/zinc/28/61/16/557286116.db2.gz DNGAOFRPSWVWTB-UHFFFAOYSA-N 0 0 401.528 4.910 50 0 HJAARN CCCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3ccc(OC)cc32)cc1 ZINC000001772999 557286180 /nfs/dbraw/zinc/28/61/80/557286180.db2.gz SHGOSNKKLRDTNB-UHFFFAOYSA-N 0 0 408.454 4.731 50 0 HJAARN CCCCOc1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000001775852 557286456 /nfs/dbraw/zinc/28/64/56/557286456.db2.gz RDUVNLMGSBXGED-UHFFFAOYSA-N 0 0 414.461 4.918 50 0 HJAARN CCOC(=O)CCCSc1nc2sc(Cc3ccccc3)c(C)c2c(N)n1 ZINC000001802992 557289413 /nfs/dbraw/zinc/28/94/13/557289413.db2.gz KHLAQULCEXETJD-UHFFFAOYSA-N 0 0 401.557 4.608 50 0 HJAARN COC(=O)c1ccccc1NC(=O)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000022631332 557298313 /nfs/dbraw/zinc/29/83/13/557298313.db2.gz 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Cc1cccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccc(F)cc2)c1 ZINC000002812052 557394236 /nfs/dbraw/zinc/39/42/36/557394236.db2.gz XABJGFPCQCORGR-UHFFFAOYSA-N 0 0 414.440 4.824 50 0 HJAARN CCCCC(=O)Nc1cccc(NC(=O)COc2ccc(Br)cc2)c1 ZINC000002832672 557398177 /nfs/dbraw/zinc/39/81/77/557398177.db2.gz JOLQMILWEBVYFF-UHFFFAOYSA-N 0 0 405.292 4.595 50 0 HJAARN O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000002835324 557398457 /nfs/dbraw/zinc/39/84/57/557398457.db2.gz CBNBMLONRQBFSM-UHFFFAOYSA-N 0 0 410.823 4.850 50 0 HJAARN Cc1cccc(NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)c1C ZINC000002838233 557399785 /nfs/dbraw/zinc/39/97/85/557399785.db2.gz QIYGQQJUUNKPAH-UHFFFAOYSA-N 0 0 422.550 4.830 50 0 HJAARN Cc1ccc(S(=O)(=O)n2nc(-c3ccccc3)nc2SCc2ccccc2)cc1 ZINC000002841190 557400908 /nfs/dbraw/zinc/40/09/08/557400908.db2.gz PSBMKZFYYVVULK-UHFFFAOYSA-N 0 0 421.547 4.783 50 0 HJAARN COc1ccc(C(=O)Nc2ccc(I)cc2C(F)(F)F)cc1 ZINC000002850461 557404073 /nfs/dbraw/zinc/40/40/73/557404073.db2.gz 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557440318 /nfs/dbraw/zinc/44/03/18/557440318.db2.gz SJUNUUYSCKOARX-UHFFFAOYSA-N 0 0 407.695 4.672 50 0 HJAARN CCOc1ccc(NC(=O)c2c3c(sc2NC(=O)c2ccncc2)CCC3)cc1 ZINC000003100280 557446502 /nfs/dbraw/zinc/44/65/02/557446502.db2.gz JJSITLNGKKLWOP-UHFFFAOYSA-N 0 0 407.495 4.535 50 0 HJAARN Cc1ccc2c(c1)Oc1ccccc1C(N1CCN(C(=O)Cc3cccs3)CC1)=N2 ZINC000034812726 557464977 /nfs/dbraw/zinc/46/49/77/557464977.db2.gz GWHUZKXPVCFPFH-UHFFFAOYSA-N 0 0 417.534 4.627 50 0 HJAARN CCCCNC(=O)c1cc(-c2ccccc2OC)n2nc(C)c(-c3ccccc3)c2n1 ZINC000034833034 557466895 /nfs/dbraw/zinc/46/68/95/557466895.db2.gz RDNXSZVTBXDBNB-UHFFFAOYSA-N 0 0 414.509 4.910 50 0 HJAARN CCc1[nH]nc(-c2ccc(OC)cc2OC)c1NC(=O)Nc1cccc(Cl)c1 ZINC000034796677 557472082 /nfs/dbraw/zinc/47/20/82/557472082.db2.gz DKVWHFPGZYDJSE-UHFFFAOYSA-N 0 0 400.866 4.954 50 0 HJAARN O=C(N[C@H]1CCCc2ccccc21)c1nc(CCc2ccccc2)n(-c2ccccc2)n1 ZINC000034911596 557476376 /nfs/dbraw/zinc/47/63/76/557476376.db2.gz VDGIFTCWZBYLQE-DEOSSOPVSA-N 0 0 422.532 4.860 50 0 HJAARN CCn1nc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1-c1ccc(F)c(F)c1 ZINC000034901887 557481477 /nfs/dbraw/zinc/48/14/77/557481477.db2.gz DCIUEPMBBDMIPB-UHFFFAOYSA-N 0 0 409.358 4.797 50 0 HJAARN COc1cccc(-c2cc(CN(C(C)C)S(=O)(=O)/C=C/c3ccccc3)no2)c1 ZINC000034922459 557484368 /nfs/dbraw/zinc/48/43/68/557484368.db2.gz XAOUQACNCRRLKA-OUKQBFOZSA-N 0 0 412.511 4.561 50 0 HJAARN O=C(c1cccc(Cl)c1)N1CCC2(CC1)SCC(=O)N2c1ccc(Cl)cc1 ZINC000034924432 557484965 /nfs/dbraw/zinc/48/49/65/557484965.db2.gz DBRQKKSLFJECPX-UHFFFAOYSA-N 0 0 421.349 4.706 50 0 HJAARN Cc1ccc(N2C(=O)CSC23CCN(C(=O)c2ccc4ccccc4c2)CC3)cc1 ZINC000034927353 557485207 /nfs/dbraw/zinc/48/52/07/557485207.db2.gz YXHVYWDYXGPKDB-UHFFFAOYSA-N 0 0 416.546 4.861 50 0 HJAARN COc1ccc(-c2nc3ccc(C)cn3c2NC(=O)c2ccc(C)cc2)cc1OC ZINC000034912585 557486873 /nfs/dbraw/zinc/48/68/73/557486873.db2.gz FQJQGMINLFWQBB-UHFFFAOYSA-N 0 0 401.466 4.888 50 0 HJAARN C[C@@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1ccc(Br)cc1 ZINC000003623307 557494928 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COc1cccc(/C=C2/SC(=O)N(CNc3ccccc3Br)C2=O)c1 ZINC000020072628 558330846 /nfs/dbraw/zinc/33/08/46/558330846.db2.gz GQVJUARZRAXWBR-MHWRWJLKSA-N 0 0 419.300 4.564 50 0 HJAARN CCN1CCN(c2c(Cl)cccc2NC(=O)C2(c3ccccc3)CCCC2)CC1 ZINC000020096570 558331499 /nfs/dbraw/zinc/33/14/99/558331499.db2.gz QVYKOXYZDYCTPO-UHFFFAOYSA-N 0 0 411.977 4.932 50 0 HJAARN Cc1[nH]c2c(cccc2F)c1CC(=O)N[C@@H](C)c1cnn(-c2cccc(F)c2)c1C ZINC000020211183 558347429 /nfs/dbraw/zinc/34/74/29/558347429.db2.gz OGFHPIKKZYELFC-AWEZNQCLSA-N 0 0 408.452 4.669 50 0 HJAARN COc1ccccc1C(=O)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000020274731 558353329 /nfs/dbraw/zinc/35/33/29/558353329.db2.gz FIVPBAIZGADLIE-HXUWFJFHSA-N 0 0 419.868 4.918 50 0 HJAARN Nc1c2cc3c(nc2sc1C(=O)Nc1ccccc1)CCN(Cc1ccccc1)C3 ZINC000020289841 558353991 /nfs/dbraw/zinc/35/39/91/558353991.db2.gz OPZZLGCMFRQZFT-UHFFFAOYSA-N 0 0 414.534 4.689 50 0 aggregator HJAARN COc1cc(C)c(-c2nc(CN3CCC([C@@H](O)c4cccnc4)CC3)c(C)o2)cc1C ZINC000020406492 558360112 /nfs/dbraw/zinc/36/01/12/558360112.db2.gz ONTVEMDGIZMLOB-XMMPIXPASA-N 0 0 421.541 4.616 50 0 HJAARN CCCCNC(=O)c1nnn(-c2ccc3noc(-c4ccc(Cl)cc4)c3c2)c1C ZINC000012274504 558363648 /nfs/dbraw/zinc/36/36/48/558363648.db2.gz IKDKOTWVQVYUFM-UHFFFAOYSA-N 0 0 409.877 4.567 50 0 HJAARN Cc1csc(-c2ccc(C(=O)N[C@@H](C)c3nc4ccccc4[nH]3)c(N(C)C)n2)c1 ZINC000020451909 558366082 /nfs/dbraw/zinc/36/60/82/558366082.db2.gz VEGAFRMAMUQCJP-AWEZNQCLSA-N 0 0 405.527 4.552 50 0 HJAARN COc1ccc(-c2nc(CN(Cc3c(C)nn(C)c3C)C3CC3)c(C)o2)c(C)c1C ZINC000012298149 558368171 /nfs/dbraw/zinc/36/81/71/558368171.db2.gz ZRBCBNGELYCIJH-UHFFFAOYSA-N 0 0 408.546 4.790 50 0 HJAARN Cc1noc(C)c1CC(=O)N[C@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1 ZINC000012298123 558368201 /nfs/dbraw/zinc/36/82/01/558368201.db2.gz URNLRWGBXSOERJ-NRFANRHFSA-N 0 0 406.530 4.511 50 0 HJAARN O=C(/C=C/c1nc2ccccc2s1)NCCc1ccc(F)c(Br)c1 ZINC000071982892 558368630 /nfs/dbraw/zinc/36/86/30/558368630.db2.gz AZRRELMCLXTRKO-BQYQJAHWSA-N 0 0 405.292 4.570 50 0 HJAARN Cc1c([C@H](C)NC(=O)c2cc(C(F)(F)F)ccc2Cl)cnn1-c1ccccn1 ZINC000012319700 558381978 /nfs/dbraw/zinc/38/19/78/558381978.db2.gz OTYMXMSTZIEAQT-NSHDSACASA-N 0 0 408.811 4.739 50 0 HJAARN O=C(NCc1ccccc1)N[C@H](c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000020522657 558383642 /nfs/dbraw/zinc/38/36/42/558383642.db2.gz WYXFWOHPHGCPNS-FQEVSTJZSA-N 0 0 418.884 4.979 50 0 HJAARN Cc1c(C(=O)NCCCc2ccccc2)sc2ncnc(NCc3ccco3)c12 ZINC000012332701 558385831 /nfs/dbraw/zinc/38/58/31/558385831.db2.gz RFFKVRYSVNUHQV-UHFFFAOYSA-N 0 0 406.511 4.567 50 0 HJAARN Cc1noc(C)c1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1 ZINC000012369101 558388820 /nfs/dbraw/zinc/38/88/20/558388820.db2.gz LAHVQXKWWOOVLX-UHFFFAOYSA-N 0 0 418.297 4.767 50 0 HJAARN Cc1ccn(C[C@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)n1 ZINC000020615768 558392733 /nfs/dbraw/zinc/39/27/33/558392733.db2.gz GXDOUVUUWTYWJH-SFHVURJKSA-N 0 0 400.526 4.630 50 0 HJAARN CC(=O)c1cc(CN2CCC[C@H](CCC(=O)NCc3ccccc3Cl)C2)cs1 ZINC000012387139 558395876 /nfs/dbraw/zinc/39/58/76/558395876.db2.gz QHNFEBKDOBNEEP-QGZVFWFLSA-N 0 0 418.990 4.913 50 0 HJAARN COc1cc(C=O)ccc1Oc1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1Cl ZINC000012394245 558397317 /nfs/dbraw/zinc/39/73/17/558397317.db2.gz HPJBGKQIBIUXCQ-UHFFFAOYSA-N 0 0 424.762 4.518 50 0 HJAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2NCc2ccc(F)cc2)cc1 ZINC000012419403 558403082 /nfs/dbraw/zinc/40/30/82/558403082.db2.gz PIJOSMWCQAIBJW-UHFFFAOYSA-N 0 0 412.442 4.827 50 0 HJAARN C[C@H]1C[C@H](C)CN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000012419525 558403192 /nfs/dbraw/zinc/40/31/92/558403192.db2.gz UPHJAAOGDLQXPI-KBPBESRZSA-N 0 0 420.918 4.903 50 0 HJAARN O=C1Nc2ccccc2CC[C@@H]1Sc1nnc(-c2cccc(Br)c2)o1 ZINC000020734495 558407395 /nfs/dbraw/zinc/40/73/95/558407395.db2.gz WAHKOQHHXCCGBN-HNNXBMFYSA-N 0 0 416.300 4.545 50 0 HJAARN O=C1Nc2ccccc2CC[C@H]1Sc1nnc(-c2cccc(Br)c2)o1 ZINC000020734491 558407432 /nfs/dbraw/zinc/40/74/32/558407432.db2.gz WAHKOQHHXCCGBN-OAHLLOKOSA-N 0 0 416.300 4.545 50 0 HJAARN Cc1nn(-c2ncccn2)c2c1[C@@H](c1cccc(OC3CCCC3)c1)SCC(=O)N2 ZINC000020735471 558407704 /nfs/dbraw/zinc/40/77/04/558407704.db2.gz KPLYQFAPYJWZCV-HXUWFJFHSA-N 0 0 421.526 4.716 50 0 HJAARN Cc1cc(-c2nn(-c3ccccc3F)cc2CN(C)Cc2cnn(C)c2)c(C)s1 ZINC000012437417 558409294 /nfs/dbraw/zinc/40/92/94/558409294.db2.gz ZTGZIVSVVSKRHM-UHFFFAOYSA-N 0 0 409.534 4.722 50 0 HJAARN Cc1c2cc(C)cc(Cl)c2oc1C(=O)N[C@H](CCn1cncn1)c1ccccc1 ZINC000012440278 558411482 /nfs/dbraw/zinc/41/14/82/558411482.db2.gz UVXNFOOYSWBKNU-LJQANCHMSA-N 0 0 408.889 4.856 50 0 HJAARN COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(C(=O)C4CCCC4)C3)cc2)c1 ZINC000012440436 558411730 /nfs/dbraw/zinc/41/17/30/558411730.db2.gz WWIMNAFAFHCLJG-OAQYLSRUSA-N 0 0 406.526 4.730 50 0 HJAARN COc1cccc(-c2nn(-c3ccccc3)cc2CN(C)Cc2c(C)n[nH]c2C)c1 ZINC000020782449 558413160 /nfs/dbraw/zinc/41/31/60/558413160.db2.gz XEAVOPJUVHFSTL-UHFFFAOYSA-N 0 0 401.514 4.520 50 0 HJAARN COc1ccc(C(=O)Cn2c3ccccc3n(Cc3ccc(Cl)cc3)c2=N)cc1 ZINC000020840503 558417030 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COc1cc(OC)cc(C(=O)Nc2nc(-c3cc4cccc(OC)c4o3)cs2)c1 ZINC000010747642 558436106 /nfs/dbraw/zinc/43/61/06/558436106.db2.gz KRCQDHXBGFUNMA-UHFFFAOYSA-N 0 0 410.451 4.834 50 0 HJAARN COc1cccc(C[C@@]2(CO)CCCN(Cc3nc(-c4cccs4)oc3C)C2)c1 ZINC000012593649 558436630 /nfs/dbraw/zinc/43/66/30/558436630.db2.gz JEZSXLBKQNAPOM-QHCPKHFHSA-N 0 0 412.555 4.537 50 0 HJAARN Cc1ccc(Cl)cc1-n1ncc2c1ncnc2NCCc1c[nH]c2ccccc12 ZINC000004354842 558440028 /nfs/dbraw/zinc/44/00/28/558440028.db2.gz NPQXYCMEFDOYHU-UHFFFAOYSA-N 0 0 402.889 4.913 50 0 HJAARN O=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccccc1OCc1ccc(F)cc1 ZINC000010764186 558441258 /nfs/dbraw/zinc/44/12/58/558441258.db2.gz XXYDNUIHTUHZDF-UHFFFAOYSA-N 0 0 418.468 4.683 50 0 HJAARN CN(Cc1ccsc1)C(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1 ZINC000021558199 558441371 /nfs/dbraw/zinc/44/13/71/558441371.db2.gz RAIFAVNAIVXVCP-UHFFFAOYSA-N 0 0 416.612 4.904 50 0 HJAARN ClC1(Cl)C[C@@H]1CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 ZINC000012633719 558442571 /nfs/dbraw/zinc/44/25/71/558442571.db2.gz 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CCCCSc1nc2c(c(=O)n1-c1ccc(OC(F)(F)F)cc1)SCC2 ZINC000004358878 558447267 /nfs/dbraw/zinc/44/72/67/558447267.db2.gz IWRQQDCDUVNAMS-UHFFFAOYSA-N 0 0 402.463 4.672 50 0 HJAARN COc1ccc(-c2nc3c4c(C)c(C)n(-c5ccccc5C)c4ncn3n2)cc1OC ZINC000021801139 558450067 /nfs/dbraw/zinc/45/00/67/558450067.db2.gz OGGQUNTZKNLNGE-UHFFFAOYSA-N 0 0 413.481 4.678 50 0 HJAARN CCOc1ccc(-n2c(C)c(C)c3c4nc(-c5ccc(OC)cc5)nn4cnc32)cc1 ZINC000021801383 558450109 /nfs/dbraw/zinc/45/01/09/558450109.db2.gz UTHMEJZQVJUBKX-UHFFFAOYSA-N 0 0 413.481 4.759 50 0 HJAARN COc1cc(-c2nc(CN3CCCC[C@@H]3c3nccs3)c(C)o2)cc2c1OCO2 ZINC000012708317 558450774 /nfs/dbraw/zinc/45/07/74/558450774.db2.gz PJLAKFABJPJECQ-MRXNPFEDSA-N 0 0 413.499 4.571 50 0 HJAARN CS(=O)(=O)c1ccc(F)c(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1 ZINC000021832710 558451425 /nfs/dbraw/zinc/45/14/25/558451425.db2.gz SVULRLPROBELGU-FQEVSTJZSA-N 0 0 415.511 4.701 50 0 HJAARN CSc1ccccc1OCc1cc(C(=O)N(C)[C@@H](C)c2nc(C)cs2)no1 ZINC000012710137 558451882 /nfs/dbraw/zinc/45/18/82/558451882.db2.gz UQDLNYZBZOTOEN-ZDUSSCGKSA-N 0 0 403.529 4.574 50 0 HJAARN CC[C@@H](NC(=O)CCc1nnc(Cc2c[nH]c3ccccc23)o1)c1ccc(C)cc1 ZINC000012711618 558452704 /nfs/dbraw/zinc/45/27/04/558452704.db2.gz QKURFWIVKGNGQH-HXUWFJFHSA-N 0 0 402.498 4.650 50 0 HJAARN COc1cccc(NC(=O)c2sc(N3CCSCC3)nc2-c2ccccc2)c1 ZINC000072078652 558453747 /nfs/dbraw/zinc/45/37/47/558453747.db2.gz XGYZXCCICIEBQT-UHFFFAOYSA-N 0 0 411.552 4.624 50 0 HJAARN CN(C(=O)c1ccc2cccc(Cl)c2n1)[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000012714560 558454422 /nfs/dbraw/zinc/45/44/22/558454422.db2.gz ADNKDKFKVBGWNQ-SFHVURJKSA-N 0 0 411.908 4.764 50 0 HJAARN O=C(c1ccc2ccccc2n1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000021902744 558455021 /nfs/dbraw/zinc/45/50/21/558455021.db2.gz IZCVFPGDPGDYLM-UHFFFAOYSA-N 0 0 407.517 4.782 50 0 HJAARN Cc1noc(C)c1CCC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(C)cc1 ZINC000012718888 558456198 /nfs/dbraw/zinc/45/61/98/558456198.db2.gz LBHOLUVWJDEAHD-OAQYLSRUSA-N 0 0 406.530 4.548 50 0 HJAARN Cc1noc(C)c1CCC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(C)cc1 ZINC000012718887 558456254 /nfs/dbraw/zinc/45/62/54/558456254.db2.gz LBHOLUVWJDEAHD-NRFANRHFSA-N 0 0 406.530 4.548 50 0 HJAARN COc1cccc(-c2ccc(NC(=O)[C@@H]3CCCN(Cc4nccs4)C3)cc2)c1 ZINC000012751221 558459133 /nfs/dbraw/zinc/45/91/33/558459133.db2.gz JXWYFCGYXGVDBU-LJQANCHMSA-N 0 0 407.539 4.669 50 0 HJAARN COC(=O)c1ccccc1CSc1nnc(-c2cccnc2)n1-c1ccc(C)cc1 ZINC000004366005 558461817 /nfs/dbraw/zinc/46/18/17/558461817.db2.gz HBABZLQWNSQVMR-UHFFFAOYSA-N 0 0 416.506 4.717 50 0 HJAARN CCc1ccc(-c2nc3n(n2)C(=O)N[C@](c2ccccc2)(C(F)(F)F)S3)cc1 ZINC000012788558 558463990 /nfs/dbraw/zinc/46/39/90/558463990.db2.gz KMZVVLJISSNSRT-SFHVURJKSA-N 0 0 404.417 4.586 50 0 HJAARN CCc1ccc(-c2nc3n(n2)C(=O)N[C@@](c2ccccc2)(C(F)(F)F)S3)cc1 ZINC000012788561 558464041 /nfs/dbraw/zinc/46/40/41/558464041.db2.gz KMZVVLJISSNSRT-GOSISDBHSA-N 0 0 404.417 4.586 50 0 HJAARN O=C(NCc1ccccc1Cl)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000012788318 558464044 /nfs/dbraw/zinc/46/40/44/558464044.db2.gz BJWOAHQPKLFALD-UHFFFAOYSA-N 0 0 406.913 4.662 50 0 HJAARN CCOc1ccc(CN(CC)C(=O)Cc2csc(-c3cccs3)n2)cc1OC ZINC000012790466 558465169 /nfs/dbraw/zinc/46/51/69/558465169.db2.gz NPVBATNQQXAUBJ-UHFFFAOYSA-N 0 0 416.568 4.870 50 0 HJAARN Cc1ccc2c(C)c(CCC(=O)Nc3ccc(Br)cc3)c(=O)oc2c1 ZINC000012790657 558465334 /nfs/dbraw/zinc/46/53/34/558465334.db2.gz QWQBOZMKCIMCEP-UHFFFAOYSA-N 0 0 400.272 4.744 50 0 HJAARN COc1ccc(OC)c(NC(=O)c2cc(-c3ccccc3F)nc3onc(C)c32)c1 ZINC000012790710 558465375 /nfs/dbraw/zinc/46/53/75/558465375.db2.gz PMCWISUOSURKDR-UHFFFAOYSA-N 0 0 407.401 4.607 50 0 HJAARN CN(CC(=O)Nc1cccc(F)c1)C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000012790875 558465639 /nfs/dbraw/zinc/46/56/39/558465639.db2.gz DODLKZWHLRGENL-JOCHJYFZSA-N 0 0 408.498 4.756 50 0 HJAARN CC[C@@H](NC(=O)CCn1c(=S)[nH]nc1-c1ccc(OC)cc1)c1ccc(C)cc1 ZINC000012794163 558467514 /nfs/dbraw/zinc/46/75/14/558467514.db2.gz XODORIGNLLAYAB-LJQANCHMSA-N 0 0 410.543 4.582 50 0 HJAARN O=C(CCc1ccco1)N1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012836524 558478372 /nfs/dbraw/zinc/47/83/72/558478372.db2.gz SUEVWOXCEOMJPS-FQEVSTJZSA-N 0 0 416.521 4.548 50 0 HJAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F ZINC000012849651 558479124 /nfs/dbraw/zinc/47/91/24/558479124.db2.gz UOSRUYVTQNOCAW-TXEJJXNPSA-N 0 0 408.449 4.880 50 0 HJAARN O=C(Nc1ccc(I)cn1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000012855294 558480493 /nfs/dbraw/zinc/48/04/93/558480493.db2.gz XEPKIMGQWUPOTG-UHFFFAOYSA-N 0 0 424.625 4.852 50 0 HJAARN COCc1nn2c(nc(-c3cccnc3)cc2C(F)(F)F)c1-c1ccc(OC)cc1 ZINC000012862134 558481371 /nfs/dbraw/zinc/48/13/71/558481371.db2.gz DUGHWZOXCXAVSS-UHFFFAOYSA-N 0 0 414.387 4.632 50 0 HJAARN Cc1nc(-c2ccccc2)sc1CCNC(=O)c1ccccc1Br ZINC000004392433 558485099 /nfs/dbraw/zinc/48/50/99/558485099.db2.gz PYFGYMIMFVLLIR-UHFFFAOYSA-N 0 0 401.329 4.854 50 0 HJAARN COc1ccc(Oc2cc(N[C@H](C(=O)NC3CC3)c3ccccc3)ccc2OC)cc1 ZINC000022421180 558488600 /nfs/dbraw/zinc/48/86/00/558488600.db2.gz FIPYHXNFJIBVDJ-DEOSSOPVSA-N 0 0 418.493 4.928 50 0 HJAARN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000012971969 558489177 /nfs/dbraw/zinc/48/91/77/558489177.db2.gz KRKXHNSEOKGBNF-KGLIPLIRSA-N 0 0 419.312 4.561 50 0 HJAARN COc1ccc(-c2noc(-c3ccccc3NC(=O)COc3ccc(F)cc3)n2)cc1 ZINC000022460759 558490667 /nfs/dbraw/zinc/49/06/67/558490667.db2.gz RGKICAUJWOENSC-UHFFFAOYSA-N 0 0 419.412 4.569 50 0 HJAARN CC(C)(C)C(=O)COC(=O)c1ccccc1SCc1nc(-c2ccsc2)no1 ZINC000012975849 558491253 /nfs/dbraw/zinc/49/12/53/558491253.db2.gz FJDGIFJVQZPWPJ-UHFFFAOYSA-N 0 0 416.524 4.862 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012977765 558492216 /nfs/dbraw/zinc/49/22/16/558492216.db2.gz GUODLJYFDUXUSG-LZGZYFLISA-N 0 0 400.950 4.794 50 0 HJAARN O=C(CN1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O)Nc1ccccc1 ZINC000010843972 558492278 /nfs/dbraw/zinc/49/22/78/558492278.db2.gz QTWOTIFMASJFGB-UHFFFAOYSA-N 0 0 418.063 4.535 50 0 HJAARN COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1csc(-c2ccccc2)n1 ZINC000012979292 558492740 /nfs/dbraw/zinc/49/27/40/558492740.db2.gz TYOSTCZADXMWKJ-UHFFFAOYSA-N 0 0 424.522 4.912 50 0 HJAARN CCCc1noc([C@@H](C)Sc2nc(=O)c3c(-c4ccc(F)cc4)csc3[nH]2)n1 ZINC000012982083 558493733 /nfs/dbraw/zinc/49/37/33/558493733.db2.gz VMMBCHUEWRZMTH-SNVBAGLBSA-N 0 0 416.503 4.980 50 0 HJAARN COc1cccc(CN(C)Cc2nc(=O)c3c([nH]2)sc(C)c3-c2ccc(C)cc2)c1 ZINC000012984418 558494837 /nfs/dbraw/zinc/49/48/37/558494837.db2.gz FCIVHIHTZJMJAI-UHFFFAOYSA-N 0 0 419.550 4.909 50 0 HJAARN CC[C@H](NC(=O)CCc1c(C)nc(SC)nc1C)c1ccc(Br)cc1 ZINC000013001197 558500490 /nfs/dbraw/zinc/50/04/90/558500490.db2.gz FDNVLESAURDDBD-KRWDZBQOSA-N 0 0 422.392 4.778 50 0 HJAARN O=C(CSCc1cc(-c2ccc(Cl)cc2)no1)N1CCC(c2ccccc2)=N1 ZINC000013019318 558504435 /nfs/dbraw/zinc/50/44/35/558504435.db2.gz CCCUHYNKSYAQQW-UHFFFAOYSA-N 0 0 411.914 4.865 50 0 HJAARN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000013021748 558504665 /nfs/dbraw/zinc/50/46/65/558504665.db2.gz MYCPIUJXDWXMFU-ZEQRLZLVSA-N 0 0 414.505 4.518 50 0 HJAARN COc1ccccc1C(=O)NCCCc1nc2ccccc2n1Cc1ccccc1F ZINC000013039577 558506165 /nfs/dbraw/zinc/50/61/65/558506165.db2.gz JDFSTHDYRIONSC-UHFFFAOYSA-N 0 0 417.484 4.595 50 0 HJAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000013040226 558506814 /nfs/dbraw/zinc/50/68/14/558506814.db2.gz XCCHYMXISKAQRH-UHFFFAOYSA-N 0 0 424.928 4.704 50 0 HJAARN COc1ccccc1-c1nc(CN(C)CC(=O)Nc2ccccc2Cl)cs1 ZINC000013058025 558509218 /nfs/dbraw/zinc/50/92/18/558509218.db2.gz QSRAZMOLPDUDLT-UHFFFAOYSA-N 0 0 401.919 4.543 50 0 HJAARN Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCN(Cc3ccsc3)CC2)c1 ZINC000022800032 558512909 /nfs/dbraw/zinc/51/29/09/558512909.db2.gz KBPFNQCELIMBOJ-XMMPIXPASA-N 0 0 419.594 4.863 50 0 HJAARN CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CN3CCC[C@@H]3c3cccs3)C2=O)cc1 ZINC000013102739 558514566 /nfs/dbraw/zinc/51/45/66/558514566.db2.gz LNFWCHZNNUOIQJ-WZONZLPQSA-N 0 0 411.571 4.607 50 0 HJAARN COc1ccc(CCNC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)cc1 ZINC000013110251 558515311 /nfs/dbraw/zinc/51/53/11/558515311.db2.gz AAQGBTKCQJFCKR-UHFFFAOYSA-N 0 0 419.308 4.596 50 0 HJAARN O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(-c2ccc(F)cc2)o1 ZINC000013117872 558516756 /nfs/dbraw/zinc/51/67/56/558516756.db2.gz ATNSNVWHWHFMNV-UHFFFAOYSA-N 0 0 423.469 4.784 50 0 HJAARN COc1cccc(Nc2nnc(S[C@H](C)C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)s2)c1 ZINC000013140214 558521700 /nfs/dbraw/zinc/52/17/00/558521700.db2.gz VCCIDSYUZMAVTC-UMPJEAMMSA-N 0 0 420.604 4.712 50 0 HJAARN Cc1cc(C)c2oc3c(c(=O)c2c1)[C@@H](c1ccc(F)cc1)N(Cc1cccnc1)C3=O ZINC000013207161 558525455 /nfs/dbraw/zinc/52/54/55/558525455.db2.gz UGBGPGPTYQKPCA-OAQYLSRUSA-N 0 0 414.436 4.689 50 0 HJAARN Cc1ccc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 ZINC000013207228 558525661 /nfs/dbraw/zinc/52/56/61/558525661.db2.gz LKAMRDISBFIJAL-QFIPXVFZSA-N 0 0 410.473 4.859 50 0 HJAARN Cc1noc(C(C)C)c1C(=O)OCC(=O)N1c2ccccc2CCc2ccccc21 ZINC000022975397 558528763 /nfs/dbraw/zinc/52/87/63/558528763.db2.gz ONEKNICFBXRMJI-UHFFFAOYSA-N 0 0 404.466 4.727 50 0 HJAARN COc1ccc(OC)c(NC(=O)Nc2c(C)nn(Cc3ccccc3Cl)c2C)c1 ZINC000013331620 558530326 /nfs/dbraw/zinc/53/03/26/558530326.db2.gz ZJKGZKYKDNFSPG-UHFFFAOYSA-N 0 0 414.893 4.863 50 0 HJAARN O=C(Nc1ccc(OC2CCCC2)cc1)C1(S(=O)(=O)c2ccccc2)CCCC1 ZINC000023056649 558532533 /nfs/dbraw/zinc/53/25/33/558532533.db2.gz PJYYIYKYLYOODK-UHFFFAOYSA-N 0 0 413.539 4.733 50 0 HJAARN CC(C)c1ccc([C@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 ZINC000023057337 558532811 /nfs/dbraw/zinc/53/28/11/558532811.db2.gz TUKJYGWWSLYWSB-MBSDFSHPSA-N 0 0 416.521 4.848 50 0 HJAARN COc1cc(C(=O)N[C@H](C)c2cc3ccccc3o2)ccc1OCc1cscn1 ZINC000023082263 558533861 /nfs/dbraw/zinc/53/38/61/558533861.db2.gz OTYCBDCMLBSNMJ-CQSZACIVSA-N 0 0 408.479 4.968 50 0 HJAARN COc1cc(C(=O)N[C@@H](C)c2cc3ccccc3o2)ccc1OCc1cscn1 ZINC000023082261 558533936 /nfs/dbraw/zinc/53/39/36/558533936.db2.gz OTYCBDCMLBSNMJ-AWEZNQCLSA-N 0 0 408.479 4.968 50 0 HJAARN O=C1C[C@H](c2ccc3c(c2)OCO3)c2c(-c3ccccc3)nn(-c3ccccc3)c2N1 ZINC000013518368 558536386 /nfs/dbraw/zinc/53/63/86/558536386.db2.gz UTCKMUYOZIDIJV-LJQANCHMSA-N 0 0 409.445 4.742 50 0 HJAARN CCOc1ccccc1-c1nc(CC(=O)NCCSCc2ccsc2)cs1 ZINC000023190398 558542018 /nfs/dbraw/zinc/54/20/18/558542018.db2.gz HNAJFVPEXQSEGK-UHFFFAOYSA-N 0 0 418.609 4.862 50 0 HJAARN COc1ccc2[nH]cc(CCN3C(=O)c4[nH]nc(C)c4[C@@H]3c3ccccc3Cl)c2c1 ZINC000013570386 558542033 /nfs/dbraw/zinc/54/20/33/558542033.db2.gz WNZSTDTWOKUYGW-QFIPXVFZSA-N 0 0 420.900 4.649 50 0 HJAARN Cc1ccc2nc(COc3ccc(C(=O)N4CC[C@H]5CCCC[C@H]5C4)cc3)cn2c1 ZINC000023233250 558544001 /nfs/dbraw/zinc/54/40/01/558544001.db2.gz ZNKUVEYZUAZQOY-CTNGQTDRSA-N 0 0 403.526 4.874 50 0 HJAARN CC[C@H](Sc1nc(C)c(Cc2ccc(O)cc2)[nH]1)C(=O)N[C@@H](C)c1ccccc1 ZINC000023279065 558547349 /nfs/dbraw/zinc/54/73/49/558547349.db2.gz XOIGCDYQKRQSOE-BTYIYWSLSA-N 0 0 409.555 4.763 50 0 HJAARN Cc1ccc(CNCc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn32)o1 ZINC000023337400 558549748 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Cc1ccc(-c2noc(CCC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)n2)cc1 ZINC000014014848 558613490 /nfs/dbraw/zinc/61/34/90/558613490.db2.gz RWVXMOBMSAIJLE-GOSISDBHSA-N 0 0 418.522 4.951 50 0 HJAARN C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000024813235 558613543 /nfs/dbraw/zinc/61/35/43/558613543.db2.gz VWIBRQZDWVVDLL-CYBMUJFWSA-N 0 0 400.935 4.551 50 0 HJAARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](NC(=O)c1ccco1)c1ccccc1 ZINC000024842450 558617096 /nfs/dbraw/zinc/61/70/96/558617096.db2.gz FWSXRMACSPNDER-LJQANCHMSA-N 0 0 417.292 4.716 50 0 HJAARN c1[nH]c2ccccc2c1-c1nnc(SC[C@@H]2COc3ccccc3O2)n1C1CC1 ZINC000014069178 558617253 /nfs/dbraw/zinc/61/72/53/558617253.db2.gz GHBLRRQSWRAHMC-HNNXBMFYSA-N 0 0 404.495 4.693 50 0 HJAARN O=C([C@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1ccccc1)N1CCCC1 ZINC000014125590 558623102 /nfs/dbraw/zinc/62/31/02/558623102.db2.gz DECBGYFJAUKRMH-HXUWFJFHSA-N 0 0 424.595 4.721 50 0 HJAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000024986165 558625002 /nfs/dbraw/zinc/62/50/02/558625002.db2.gz LJPQRNDINNBGBH-CABCVRRESA-N 0 0 412.481 4.544 50 0 HJAARN Cc1nnc(SCc2nnc(-c3cc4c(s3)CCCC4)o2)n1Cc1ccccc1 ZINC000014157265 558625779 /nfs/dbraw/zinc/62/57/79/558625779.db2.gz AQTIAJUQWNUYPQ-UHFFFAOYSA-N 0 0 423.567 4.917 50 0 HJAARN CCn1c(=S)n(CN2CCC[C@@H]2c2ccc(OC)cc2OC)nc1-c1ccco1 ZINC000014183182 558629007 /nfs/dbraw/zinc/62/90/07/558629007.db2.gz ADBNUKLGZSHQOI-QGZVFWFLSA-N 0 0 414.531 4.506 50 0 HJAARN CCn1c(=S)n(CN2CCC[C@@H]2c2cc(OC)ccc2OC)nc1-c1ccco1 ZINC000014185883 558630693 /nfs/dbraw/zinc/63/06/93/558630693.db2.gz VLNNYRSRXCLPCS-QGZVFWFLSA-N 0 0 414.531 4.506 50 0 HJAARN O=C(c1ccc(CSCc2ccc(C(=O)N3CCCC3)cc2)cc1)N1CCCC1 ZINC000025083537 558631080 /nfs/dbraw/zinc/63/10/80/558631080.db2.gz JMFOGRYJOGJZBP-UHFFFAOYSA-N 0 0 408.567 4.592 50 0 HJAARN CCc1ccc(-c2csc(NC(=O)[C@@H](c3ccccc3)N3CCC(O)CC3)n2)cc1 ZINC000072232573 558631083 /nfs/dbraw/zinc/63/10/83/558631083.db2.gz UHARWKULXBXPBB-JOCHJYFZSA-N 0 0 421.566 4.509 50 0 HJAARN COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cc(Cl)ccc2Cl)cc1OC ZINC000014187380 558631511 /nfs/dbraw/zinc/63/15/11/558631511.db2.gz FCXSGODDZKMRRM-HNNXBMFYSA-N 0 0 416.326 4.536 50 0 HJAARN COc1cc(C(=O)N(Cc2ccccc2F)C2CC2)ccc1OCc1c(C)noc1C ZINC000014188970 558632258 /nfs/dbraw/zinc/63/22/58/558632258.db2.gz RPCNZBXXAYHBFB-UHFFFAOYSA-N 0 0 424.472 4.823 50 0 HJAARN CN1c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2OCC(C)(C)C1=O ZINC000010971998 558632968 /nfs/dbraw/zinc/63/29/68/558632968.db2.gz LSYPADVTADDIBW-UHFFFAOYSA-N 0 0 400.478 4.987 50 0 HJAARN O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cnc2ccccc2n1 ZINC000010972392 558633249 /nfs/dbraw/zinc/63/32/49/558633249.db2.gz LBMAQDBNKLPYJC-UHFFFAOYSA-N 0 0 414.412 4.948 50 0 HJAARN Cc1c2ccc3ccccc3c2oc1C(=O)NC[C@H](c1cccs1)N1CCOCC1 ZINC000014198453 558634774 /nfs/dbraw/zinc/63/47/74/558634774.db2.gz JQHWLMBOBVQIMQ-HXUWFJFHSA-N 0 0 420.534 4.759 50 0 HJAARN C[C@H](NC(=S)Nc1ccc(Cl)cc1Cl)[C@H](c1ccccc1)N1CCOCC1 ZINC000025329187 558638247 /nfs/dbraw/zinc/63/82/47/558638247.db2.gz BIFGJZQFTVKJMP-IFXJQAMLSA-N 0 0 424.397 4.742 50 0 HJAARN Brc1cccc(OCCOc2ncnc3ccc(Br)cc32)c1 ZINC000025389704 558639779 /nfs/dbraw/zinc/63/97/79/558639779.db2.gz BVNANIHWJUEXDC-UHFFFAOYSA-N 0 0 424.092 4.613 50 0 HJAARN CC1(C)Cc2cccc(OCc3nnc(-c4ccccc4Br)o3)c2O1 ZINC000014241925 558644496 /nfs/dbraw/zinc/64/44/96/558644496.db2.gz JJSDEKQQNXKMGU-UHFFFAOYSA-N 0 0 401.260 4.792 50 0 HJAARN CS(=O)(=O)c1ccc(NC(=O)c2oc3ccccc3c2COc2ccccc2)cc1 ZINC000025608515 558645796 /nfs/dbraw/zinc/64/57/96/558645796.db2.gz DJQNNVVRHQFNMI-UHFFFAOYSA-N 0 0 421.474 4.668 50 0 HJAARN O=C(CSc1ccc(Cl)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000014246259 558647433 /nfs/dbraw/zinc/64/74/33/558647433.db2.gz VDCCOXJAHNRDSN-SFHVURJKSA-N 0 0 403.931 4.957 50 0 HJAARN COc1cc(CCNC(=O)c2ccc(SC(F)F)cc2)ccc1OC(F)F ZINC000011000929 558648419 /nfs/dbraw/zinc/64/84/19/558648419.db2.gz VGCSHCWDVDUWHV-UHFFFAOYSA-N 0 0 403.397 4.584 50 0 HJAARN Fc1cccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2F)N2NC=NC2=N3)c1 ZINC000025783679 558650101 /nfs/dbraw/zinc/65/01/01/558650101.db2.gz LOMYIKGLNOYMGK-XZOQPEGZSA-N 0 0 414.415 4.769 50 0 HJAARN Cn1nc(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c2ccccc2c1=O ZINC000025827729 558650948 /nfs/dbraw/zinc/65/09/48/558650948.db2.gz WOWMIWJJHFRMTE-UHFFFAOYSA-N 0 0 405.841 4.632 50 0 HJAARN O=C(Cc1csc(-c2ccccn2)n1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000025900614 558651944 /nfs/dbraw/zinc/65/19/44/558651944.db2.gz UXNZKBIEFDSNTH-JOCHJYFZSA-N 0 0 417.559 4.983 50 0 HJAARN Cc1nc2scc(-c3cccs3)c2c(Sc2nnnn2Cc2ccco2)n1 ZINC000014308451 558652177 /nfs/dbraw/zinc/65/21/77/558652177.db2.gz FICYJSFPAFFQQL-UHFFFAOYSA-N 0 0 412.525 4.507 50 0 HJAARN CC(=O)NCCc1ccc(C(=O)[C@H](C)Sc2nc(-c3ccccc3)cs2)cc1 ZINC000026040246 558653966 /nfs/dbraw/zinc/65/39/66/558653966.db2.gz ZLDYLNUPZFXUFX-HNNXBMFYSA-N 0 0 410.564 4.852 50 0 HJAARN C[C@@H](Sc1nncn1C)C(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 ZINC000072261701 558654901 /nfs/dbraw/zinc/65/49/01/558654901.db2.gz WMRRZYMGQJSGCO-CQSZACIVSA-N 0 0 421.551 4.725 50 0 HJAARN Cc1ccc(C)c(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)c1 ZINC000026089963 558655142 /nfs/dbraw/zinc/65/51/42/558655142.db2.gz KSEBTMBIRJIZSI-UHFFFAOYSA-N 0 0 421.547 4.795 50 0 HJAARN O=C(CCCCCN1C(=O)c2ccccc2C1=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000004537082 558655995 /nfs/dbraw/zinc/65/59/95/558655995.db2.gz QKTDUQAIACSNBL-DEOSSOPVSA-N 0 0 418.537 4.891 50 0 HJAARN CC[C@H](C)c1ccc([C@H](NC(=O)CCc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1 ZINC000026391009 558660205 /nfs/dbraw/zinc/66/02/05/558660205.db2.gz CKHUIVLMMMWKLF-BXKMTCNYSA-N 0 0 405.542 4.883 50 0 HJAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cncc(Br)c1 ZINC000014582989 558661850 /nfs/dbraw/zinc/66/18/50/558661850.db2.gz PFSWZSNSIZICLC-UHFFFAOYSA-N 0 0 403.198 4.904 50 0 HJAARN Cc1ccc(-c2nnc(SCC(=O)NC3CCCC3)n2-c2ccc(C)cc2)cc1 ZINC000004541244 558662470 /nfs/dbraw/zinc/66/24/70/558662470.db2.gz CSTVPWIHKLOTFQ-UHFFFAOYSA-N 0 0 406.555 4.702 50 0 HJAARN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)Nc1nnc(C(C)C)s1 ZINC000026601801 558663429 /nfs/dbraw/zinc/66/34/29/558663429.db2.gz VCKPTCGLXVJOSA-UHFFFAOYSA-N 0 0 407.952 4.540 50 0 HJAARN COc1ccc(C)cc1[C@@H](C)NC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC000014701584 558664160 /nfs/dbraw/zinc/66/41/60/558664160.db2.gz OGHVIVBCFHRALO-CYBMUJFWSA-N 0 0 401.869 4.781 50 0 HJAARN COCCn1c2ccccc2nc1SCCCc1nc(-c2cccs2)no1 ZINC000027198220 558670850 /nfs/dbraw/zinc/67/08/50/558670850.db2.gz OQDRKYREBKHFRC-UHFFFAOYSA-N 0 0 400.529 4.519 50 0 HJAARN O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000014899389 558678288 /nfs/dbraw/zinc/67/82/88/558678288.db2.gz GFOQOWFAIRTZJL-ZDUSSCGKSA-N 0 0 413.449 4.618 50 0 HJAARN O=C(c1cc(-c2ccccc2)on1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000027664322 558679473 /nfs/dbraw/zinc/67/94/73/558679473.db2.gz UGYGBTPTHPSBBO-UHFFFAOYSA-N 0 0 423.516 4.889 50 0 HJAARN Cc1cccc(C)c1OCC(=O)NC[C@H](c1ccccc1Cl)N1CCCCC1 ZINC000027664520 558679652 /nfs/dbraw/zinc/67/96/52/558679652.db2.gz DQYDSSHBHBBDLH-OAQYLSRUSA-N 0 0 400.950 4.679 50 0 HJAARN CCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1C ZINC000027746725 558681213 /nfs/dbraw/zinc/68/12/13/558681213.db2.gz XOBVUZZPFYFIQU-AWEZNQCLSA-N 0 0 415.877 4.812 50 0 HJAARN COc1ccc(OCC(=O)N(Cc2ccc(C(C)(C)C)cc2)c2ccccn2)cc1 ZINC000027749749 558681864 /nfs/dbraw/zinc/68/18/64/558681864.db2.gz XUDYJLKTTNLLRE-UHFFFAOYSA-N 0 0 404.510 5.000 50 0 HJAARN O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCO[C@@H](c2ccccc2)C1 ZINC000027907645 558684381 /nfs/dbraw/zinc/68/43/81/558684381.db2.gz MRSVPFRQDOEXKN-OAQYLSRUSA-N 0 0 415.518 4.815 50 0 HJAARN Cc1ccc(-c2nc(CCNC(=O)COc3ccc(Cl)c(C)c3)cs2)cc1 ZINC000027990273 558688017 /nfs/dbraw/zinc/68/80/17/558688017.db2.gz ANVCSDKGNFAGFV-UHFFFAOYSA-N 0 0 400.931 4.818 50 0 HJAARN COc1ccc2nc(NC(=O)c3cc(-c4ccc5c(c4)C[C@@H](C)O5)on3)sc2c1 ZINC000027995412 558689150 /nfs/dbraw/zinc/68/91/50/558689150.db2.gz XUMDELFLNDPDDX-LLVKDONJSA-N 0 0 407.451 4.536 50 0 HJAARN CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc3oc(Cc4ccccc4)nc3c2)C1 ZINC000014980876 558691334 /nfs/dbraw/zinc/69/13/34/558691334.db2.gz JJRYQRRRDXRENI-FQEVSTJZSA-N 0 0 404.510 4.886 50 0 HJAARN CCCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cnoc3C)cc2)cc1OC ZINC000072272621 558692557 /nfs/dbraw/zinc/69/25/57/558692557.db2.gz JZWKZJYWASEOMH-UHFFFAOYSA-N 0 0 423.469 4.675 50 0 HJAARN Cc1cc(C)c2oc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)cc(=O)c2c1 ZINC000028289018 558695774 /nfs/dbraw/zinc/69/57/74/558695774.db2.gz JKQUCPHEGWVBLH-FQEVSTJZSA-N 0 0 424.928 4.630 50 0 HJAARN O=S(=O)(Nc1cc2c(cc1Cl)OCO2)c1ccc(Cl)cc1C(F)(F)F ZINC000028794454 558704513 /nfs/dbraw/zinc/70/45/13/558704513.db2.gz KZNMACTXZDFQIE-UHFFFAOYSA-N 0 0 414.188 4.542 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(C(=O)C2=CCCCC2)C1 ZINC000015063336 558705973 /nfs/dbraw/zinc/70/59/73/558705973.db2.gz YIKKEJWPHFJJSP-INIZCTEOSA-N 0 0 404.938 4.806 50 0 HJAARN C[C@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000028871613 558706398 /nfs/dbraw/zinc/70/63/98/558706398.db2.gz YFILWFWZZFVHDL-JTQLQIEISA-N 0 0 400.784 4.569 50 0 HJAARN Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccc(Cl)s3)c3ccccc32)cc1 ZINC000004555152 558710403 /nfs/dbraw/zinc/71/04/03/558710403.db2.gz WDXFVPGSPROWFH-QFIPXVFZSA-N 0 0 411.910 4.717 50 0 HJAARN CN(Cc1cc[nH]n1)C(=O)c1ccc2oc(-c3ccc(C(F)(F)F)cc3)nc2c1 ZINC000015073413 558714121 /nfs/dbraw/zinc/71/41/21/558714121.db2.gz VCNOYSCPMRHPDI-UHFFFAOYSA-N 0 0 400.360 4.509 50 0 HJAARN CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(-n2cncn2)cc1 ZINC000072283610 558714618 /nfs/dbraw/zinc/71/46/18/558714618.db2.gz HFMBQYMQWBNCOW-UHFFFAOYSA-N 0 0 417.435 4.775 50 0 HJAARN COc1cccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@H]2c2nonc2C)c1 ZINC000015075750 558716304 /nfs/dbraw/zinc/71/63/04/558716304.db2.gz FVDGOFUTDFHMFV-QFIPXVFZSA-N 0 0 415.497 4.576 50 0 HJAARN Cc1ccc(NC(=O)COc2ccc(C)c3c2C(=O)C[C@@H]3C)c(Br)c1 ZINC000011052574 558718429 /nfs/dbraw/zinc/71/84/29/558718429.db2.gz NXKVFJKWLCGVFO-ZDUSSCGKSA-N 0 0 402.288 4.773 50 0 HJAARN CCOc1ccc(CCC2CCN([C@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)cc1 ZINC000011053746 558719031 /nfs/dbraw/zinc/71/90/31/558719031.db2.gz DNKSKQBKBNYHFA-GOSISDBHSA-N 0 0 405.542 4.728 50 0 HJAARN CC(=O)Nc1cc(F)ccc1-c1csc(NC(=O)Cc2ccc(Cl)cc2)n1 ZINC000011057710 558719897 /nfs/dbraw/zinc/71/98/97/558719897.db2.gz QCNOQGCMRLACHU-UHFFFAOYSA-N 0 0 403.866 4.742 50 0 HJAARN Cc1nn(C)c2nc(C)c(C(=O)NC[C@@H](c3c[nH]c4ccccc43)c3ccccc3)cc12 ZINC000029785281 558721022 /nfs/dbraw/zinc/72/10/22/558721022.db2.gz OXUWQVLHQSSNJQ-JOCHJYFZSA-N 0 0 423.520 4.628 50 0 HJAARN C[C@@H](Sc1ncnc2cc(-c3ccc(Br)cc3)sc21)C(=O)N(C)C ZINC000029970932 558725111 /nfs/dbraw/zinc/72/51/11/558725111.db2.gz ZRVMRJXRRLHERE-SNVBAGLBSA-N 0 0 422.373 4.690 50 0 HJAARN Cc1cc(SCC(=O)N(C)Cc2nc3ccccc3[nH]2)c(C)cc1Br ZINC000030659105 558735083 /nfs/dbraw/zinc/73/50/83/558735083.db2.gz YMWCFYTWFBMSTE-UHFFFAOYSA-N 0 0 418.360 4.693 50 0 HJAARN COc1ccc([C@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2cc(C)cc(C)c2)cc1 ZINC000015413178 558738480 /nfs/dbraw/zinc/73/84/80/558738480.db2.gz DQFKMVUHFHBASP-VWLOTQADSA-N 0 0 414.505 4.742 50 0 HJAARN COc1cc(-c2nc3cnccn3c2Nc2ccc(Br)cc2)ccc1O ZINC000015414098 558738740 /nfs/dbraw/zinc/73/87/40/558738740.db2.gz ONYMRMIYZXKQHO-UHFFFAOYSA-N 0 0 411.259 4.617 50 0 HJAARN Cc1onc(-c2ccccc2)c1-c1nnc(CN(C)CCOc2ccc(Cl)cc2)o1 ZINC000015449772 558740472 /nfs/dbraw/zinc/74/04/72/558740472.db2.gz JXDJPGSPPZQVFT-UHFFFAOYSA-N 0 0 424.888 4.864 50 0 HJAARN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011072905 558747401 /nfs/dbraw/zinc/74/74/01/558747401.db2.gz DAVLWRDFILZUFS-KOSHJBKYSA-N 0 0 415.537 4.628 50 0 HJAARN CCOCCCNC(=O)N1CCc2c3cc(OC)ccc3[nH]c2[C@@H]1c1ccc(C)cc1 ZINC000015725549 558750545 /nfs/dbraw/zinc/75/05/45/558750545.db2.gz MTUNPNXZXSBVTL-DEOSSOPVSA-N 0 0 421.541 4.569 50 0 HJAARN CCOc1cc(C=C2SC(=O)NC2=O)ccc1OCCOc1ccccc1Cl ZINC000015800442 558754004 /nfs/dbraw/zinc/75/40/04/558754004.db2.gz GGNSDIAKGKATAS-PDGQHHTCSA-N 0 0 419.886 4.520 50 0 HJAARN Cc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000015822770 558754760 /nfs/dbraw/zinc/75/47/60/558754760.db2.gz ALFFIRWAVMVFIK-OAHLLOKOSA-N 0 0 404.919 4.744 50 0 HJAARN COc1ccc(C(C)=O)cc1NC(=O)C1=Cc2cc(Br)ccc2OC=C1 ZINC000015838627 558756177 /nfs/dbraw/zinc/75/61/77/558756177.db2.gz OOEALUMNGHDIRO-UHFFFAOYSA-N 0 0 414.255 4.589 50 0 HJAARN Cc1c(C)n(-c2ccccc2Br)c2ncn3nc(-c4ccco4)nc3c12 ZINC000015842294 558756853 /nfs/dbraw/zinc/75/68/53/558756853.db2.gz SJJIFNRXPVYKJB-UHFFFAOYSA-N 0 0 408.259 4.708 50 0 HJAARN CCSc1nnc2c(n1)O[C@H](c1cccc(C)c1)N(C(=O)CC)c1ccccc1-2 ZINC000032997226 558758434 /nfs/dbraw/zinc/75/84/34/558758434.db2.gz DBYHMSXFOPDSGV-OAQYLSRUSA-N 0 0 406.511 4.793 50 0 HJAARN Cc1ccc(NC(=O)c2ccc(F)cc2)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000015913442 558761891 /nfs/dbraw/zinc/76/18/91/558761891.db2.gz FNRPHUNYNNIJIV-UHFFFAOYSA-N 0 0 418.877 4.841 50 0 HJAARN COc1cccc(CNC(=O)c2cccc(Nc3ccc(-c4ccccc4)nn3)c2)c1 ZINC000033258028 558762982 /nfs/dbraw/zinc/76/29/82/558762982.db2.gz IGGYBNCPNWOHAP-UHFFFAOYSA-N 0 0 410.477 4.826 50 0 biogenic HJAARN COc1cc(OC)c(NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1Cl ZINC000015949184 558763758 /nfs/dbraw/zinc/76/37/58/558763758.db2.gz FFPIABBKCVBVDE-UHFFFAOYSA-N 0 0 416.861 4.793 50 0 HJAARN CSCC[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(C)c2)o1 ZINC000016001187 558766053 /nfs/dbraw/zinc/76/60/53/558766053.db2.gz GROMEFURSIBVNF-OAHLLOKOSA-N 0 0 409.577 4.989 50 0 HJAARN CCCN(Cc1nnc(-c2cccs2)o1)S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000016087927 558771389 /nfs/dbraw/zinc/77/13/89/558771389.db2.gz VQYXLJZDOXVVIW-UHFFFAOYSA-N 0 0 419.572 4.633 50 0 HJAARN O=C(Nc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1)c1ccccc1Cl ZINC000015723479 558773678 /nfs/dbraw/zinc/77/36/78/558773678.db2.gz NJUKQGSHHROOHD-UHFFFAOYSA-N 0 0 418.836 4.951 50 0 HJAARN O=c1cc(CN2CCc3ccccc3C2)occ1OCc1ccc(C(F)(F)F)cc1 ZINC000004583978 558774566 /nfs/dbraw/zinc/77/45/66/558774566.db2.gz GHLFBEYUYPWARW-UHFFFAOYSA-N 0 0 415.411 4.796 50 0 HJAARN Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3cccc(Cl)c3)c3ccccn32)cc1 ZINC000004585241 558775536 /nfs/dbraw/zinc/77/55/36/558775536.db2.gz OZUSPBTXBRURSD-UHFFFAOYSA-N 0 0 403.869 4.967 50 0 HJAARN CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000016180386 558775557 /nfs/dbraw/zinc/77/55/57/558775557.db2.gz RDORKBMZZKDTNZ-BQYQJAHWSA-N 0 0 420.597 4.613 50 0 HJAARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)c1ccc(F)c(F)c1 ZINC000004585433 558776118 /nfs/dbraw/zinc/77/61/18/558776118.db2.gz LWJOHZKDGCLNGM-UHFFFAOYSA-N 0 0 405.404 4.533 50 0 HJAARN CCCCC(=O)Nc1cccc(NC(=O)c2ccccc2I)c1 ZINC000002828483 558776633 /nfs/dbraw/zinc/77/66/33/558776633.db2.gz YUKQFRBVKQEZSN-UHFFFAOYSA-N 0 0 422.266 4.672 50 0 HJAARN Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N(C)Cc1c(F)cccc1Cl ZINC000022077957 558778926 /nfs/dbraw/zinc/77/89/26/558778926.db2.gz UDTAWBJFRXJLOD-JOCHJYFZSA-N 0 0 421.907 4.985 50 0 HJAARN O=C(Cc1ccccc1)N1CCC(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000004845818 558780973 /nfs/dbraw/zinc/78/09/73/558780973.db2.gz YIXGNQPFDSDNHQ-UHFFFAOYSA-N 0 0 414.505 4.899 50 0 HJAARN CC[C@H](Oc1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000023379202 558781894 /nfs/dbraw/zinc/78/18/94/558781894.db2.gz HMNAVMCMYZOWRJ-VWLOTQADSA-N 0 0 414.549 4.778 50 0 HJAARN O=C(Nc1cccc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c1)c1cccs1 ZINC000016309167 558784831 /nfs/dbraw/zinc/78/48/31/558784831.db2.gz RSXOUQKCWQPMFA-IBGZPJMESA-N 0 0 416.506 4.854 50 0 HJAARN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)o2)cc1Cl ZINC000016346700 558787073 /nfs/dbraw/zinc/78/70/73/558787073.db2.gz GUAZNRVTZXOWHN-JXMROGBWSA-N 0 0 420.852 4.786 50 0 HJAARN O=C1OC(c2ccccc2F)=N/C1=C\c1coc2c(Cl)cc(Cl)cc2c1=O ZINC000004588885 558788575 /nfs/dbraw/zinc/78/85/75/558788575.db2.gz HZROORYVYNTFNI-WCSRMQSCSA-N 0 0 404.180 4.583 50 0 biogenic HJAARN CCCc1cc([C@H]2CCCN2C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)no1 ZINC000035511450 558793041 /nfs/dbraw/zinc/79/30/41/558793041.db2.gz UMPGYIDLFOQYSU-MRXNPFEDSA-N 0 0 417.531 4.723 50 0 HJAARN COc1ccc(Cl)cc1Nc1nc(CS(=O)(=O)c2ccc(C)cc2)cs1 ZINC000035623055 558794639 /nfs/dbraw/zinc/79/46/39/558794639.db2.gz MRDFHNRHSMWGAD-UHFFFAOYSA-N 0 0 408.932 4.831 50 0 HJAARN O=C(CSc1nnc(-c2cccc(Cl)c2)o1)c1cc2c(cc1Cl)NC(=O)C2 ZINC000035670679 558794832 /nfs/dbraw/zinc/79/48/32/558794832.db2.gz PEAIWLKFUQNTAA-UHFFFAOYSA-N 0 0 420.277 4.513 50 0 HJAARN Clc1ccc(-c2nc(C3CC3)ncc2-c2nnnn2-c2ccccc2)cc1Cl ZINC000016523904 558795049 /nfs/dbraw/zinc/79/50/49/558795049.db2.gz TUPVVTRPMLPPCG-UHFFFAOYSA-N 0 0 409.280 4.971 50 0 HJAARN Cc1sc(NC(=O)c2ccc(F)cc2Cl)c(C(=O)NCc2cccnc2)c1C ZINC000016552045 558795726 /nfs/dbraw/zinc/79/57/26/558795726.db2.gz FNRPOMVIIAFGOM-UHFFFAOYSA-N 0 0 417.893 4.735 50 0 HJAARN CC(C)c1nn(-c2ccccc2)c(N(C)C)c1CN(CC1CC1)C(=O)C1CCCC1 ZINC000035972336 558796236 /nfs/dbraw/zinc/79/62/36/558796236.db2.gz CECOGBPNSWBEEX-UHFFFAOYSA-N 0 0 408.590 4.991 50 0 HJAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C(C)=O ZINC000035980118 558796299 /nfs/dbraw/zinc/79/62/99/558796299.db2.gz JHDINKCFHGKSQY-UHFFFAOYSA-N 0 0 413.905 4.621 50 0 HJAARN COc1ccc(S(=O)(=O)N(c2cccc(C)c2)[C@H](C)c2ccccc2OC)cc1 ZINC000036248026 558798578 /nfs/dbraw/zinc/79/85/78/558798578.db2.gz JMMAJCFSUMXRGN-GOSISDBHSA-N 0 0 411.523 4.969 50 0 HJAARN COc1ccc(S(=O)(=O)N(c2cccc(C)c2)[C@H](C)c2cccc(OC)c2)cc1 ZINC000036247813 558798602 /nfs/dbraw/zinc/79/86/02/558798602.db2.gz QGKUGXPXINCYIB-GOSISDBHSA-N 0 0 411.523 4.969 50 0 HJAARN Cc1ccc(NC(=O)N2CCC[C@H](OCc3ccc(Br)cc3)C2)cc1 ZINC000036315846 558799023 /nfs/dbraw/zinc/79/90/23/558799023.db2.gz YCTRCRKTGVHZER-IBGZPJMESA-N 0 0 403.320 4.971 50 0 HJAARN CCCCCOc1ccc(-c2nc3s/c(=C\C=C/c4ccccc4)c(=O)n3n2)cc1 ZINC000016736247 558802698 /nfs/dbraw/zinc/80/26/98/558802698.db2.gz ZQBPNUDPMTUDGF-OVQVZOGNSA-N 0 0 417.534 4.600 50 0 HJAARN Cc1nc2cc(C(=O)Nc3nc(CN4CCCC4)cs3)ccc2n1-c1ccccc1 ZINC000032978582 558803553 /nfs/dbraw/zinc/80/35/53/558803553.db2.gz UQVQZBQJCASAMN-UHFFFAOYSA-N 0 0 417.538 4.639 50 0 HJAARN C[C@@H]1CN(c2cc(Oc3ccccc3Cl)ncn2)CCN1C(=O)C1CCCCC1 ZINC000037355791 558804153 /nfs/dbraw/zinc/80/41/53/558804153.db2.gz KZUGRBAIRGJEHR-MRXNPFEDSA-N 0 0 414.937 4.540 50 0 HJAARN CCCCCC(=O)N1CCN(c2cc(Oc3ccc(F)cc3Cl)ncn2)C[C@H]1C ZINC000037356924 558804279 /nfs/dbraw/zinc/80/42/79/558804279.db2.gz DHGKNXGTAOVBMF-OAHLLOKOSA-N 0 0 420.916 4.679 50 0 HJAARN CN(Cc1ccccc1)C(=O)c1ccc2c(c1)NC(=O)/C(=C/c1cccc(Cl)c1)O2 ZINC000032983926 558804949 /nfs/dbraw/zinc/80/49/49/558804949.db2.gz SLTLAAGNUFPQEY-XKZIYDEJSA-N 0 0 418.880 4.984 50 0 HJAARN CCc1ccc(NC(=O)c2c(-c3ccc(Cl)cc3)noc2N2CCOCC2)cc1 ZINC000032985104 558805586 /nfs/dbraw/zinc/80/55/86/558805586.db2.gz SJYFODWTEAGQAU-UHFFFAOYSA-N 0 0 411.889 4.646 50 0 HJAARN COc1cccc(CNC(=O)COc2cc(-c3ccccc3)nc3ccc(F)cc32)c1 ZINC000032985792 558806068 /nfs/dbraw/zinc/80/60/68/558806068.db2.gz RVEPKXMFUHTMPQ-UHFFFAOYSA-N 0 0 416.452 4.745 50 0 HJAARN O=S1(=O)c2ccccc2N[C@@H](c2ccccc2Cl)N1Cc1ccccc1F ZINC000032986826 558806758 /nfs/dbraw/zinc/80/67/58/558806758.db2.gz UCZHFNGHQDYLST-HXUWFJFHSA-N 0 0 402.878 4.794 50 0 HJAARN CCc1ccccc1NC(=O)CSc1nccn2nc(-c3ccc(F)cc3)cc12 ZINC000016841478 558808230 /nfs/dbraw/zinc/80/82/30/558808230.db2.gz SEJPCALAIWIKKY-UHFFFAOYSA-N 0 0 406.486 4.829 50 0 HJAARN CCc1ccc(-c2cc3c(SCC(=O)Nc4ccc(F)cc4F)nccn3n2)cc1 ZINC000016841656 558808288 /nfs/dbraw/zinc/80/82/88/558808288.db2.gz FHCKZZCOKFCUQP-UHFFFAOYSA-N 0 0 424.476 4.968 50 0 HJAARN Cc1cc(Sc2ccccc2NC(=O)C2CC2)n2nc(-c3ccccc3)nc2n1 ZINC000032995836 558810346 /nfs/dbraw/zinc/81/03/46/558810346.db2.gz VATCOELOFIXFJY-UHFFFAOYSA-N 0 0 401.495 4.599 50 0 HJAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)c(F)c4)nccn3n2)cc1 ZINC000017051579 558813080 /nfs/dbraw/zinc/81/30/80/558813080.db2.gz WEPNAIZRIAMMAG-UHFFFAOYSA-N 0 0 406.486 4.883 50 0 HJAARN COCCCNc1nc2c(cnn2-c2ccccc2)c(Nc2ccc(C)c(C)c2)n1 ZINC000017052960 558813255 /nfs/dbraw/zinc/81/32/55/558813255.db2.gz DBFNRTCYHNRMIK-UHFFFAOYSA-N 0 0 402.502 4.624 50 0 HJAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)N1CCC[C@@H](C)C1 ZINC000017082550 558814706 /nfs/dbraw/zinc/81/47/06/558814706.db2.gz PHXNGPFHUWKNEL-OAHLLOKOSA-N 0 0 402.585 4.944 50 0 HJAARN Cc1cc2c([nH]c(=S)n(-c3cnn(Cc4c(Cl)cccc4Cl)c3)c2=O)s1 ZINC000017093487 558821969 /nfs/dbraw/zinc/82/19/69/558821969.db2.gz VWHCEKHTZOVYIO-UHFFFAOYSA-N 0 0 423.350 4.970 50 0 HJAARN Cc1ccccc1N1C(=O)C(=Cc2ccccc2OCc2ccccn2)NC1=S ZINC000040040697 558824424 /nfs/dbraw/zinc/82/44/24/558824424.db2.gz LAGMZNHHWLPWCI-RGEXLXHISA-N 0 0 401.491 4.643 50 0 HJAARN Cc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(-n3ccn(C)c3=S)n2)cc1 ZINC000017180861 558825159 /nfs/dbraw/zinc/82/51/59/558825159.db2.gz DACULAFZFGBLCO-UHFFFAOYSA-N 0 0 403.515 4.834 50 0 HJAARN CCCCc1c(C)nn(-c2nc(CC(=O)Nc3cccc(C(C)=O)c3)cs2)c1C ZINC000033004515 558827224 /nfs/dbraw/zinc/82/72/24/558827224.db2.gz MYFKANYYVOEZLK-UHFFFAOYSA-N 0 0 410.543 4.672 50 0 HJAARN COc1cc(NC(=O)Nc2ccc(C)c(Cl)c2)cc2sc(NC(C)=O)nc21 ZINC000033008511 558828100 /nfs/dbraw/zinc/82/81/00/558828100.db2.gz PPQYACGWOSMEAH-UHFFFAOYSA-N 0 0 404.879 4.869 50 0 HJAARN Cc1ccc(NC(=O)CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1C ZINC000033326021 558828974 /nfs/dbraw/zinc/82/89/74/558828974.db2.gz MYICWKPRIDLERX-LJQANCHMSA-N 0 0 407.539 4.996 50 0 HJAARN CC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)cc1 ZINC000017987433 558829278 /nfs/dbraw/zinc/82/92/78/558829278.db2.gz BBMCBJUYOXPAOJ-SFTDATJTSA-N 0 0 405.494 4.883 50 0 HJAARN O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)Nc1ccccc1-c1ccccc1 ZINC000018115897 558831390 /nfs/dbraw/zinc/83/13/90/558831390.db2.gz UUEFBRRNLGQHJU-UHFFFAOYSA-N 0 0 413.502 4.835 50 0 HJAARN COc1ccc(OC)c(NC(=O)Cc2csc(COc3ccc(C)c(C)c3)n2)c1 ZINC000033011825 558831454 /nfs/dbraw/zinc/83/14/54/558831454.db2.gz LGVZKFRSSJKLGY-UHFFFAOYSA-N 0 0 412.511 4.537 50 0 HJAARN CC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)cc1 ZINC000018148845 558832123 /nfs/dbraw/zinc/83/21/23/558832123.db2.gz BBMCBJUYOXPAOJ-NHCUHLMSSA-N 0 0 405.494 4.883 50 0 HJAARN COc1cc(OC)cc(C(=O)Nc2ccccc2-c2nc(-c3ccc(C)cc3)no2)c1 ZINC000033012667 558832481 /nfs/dbraw/zinc/83/24/81/558832481.db2.gz GYTQTPSIIYPFCF-UHFFFAOYSA-N 0 0 415.449 4.982 50 0 HJAARN O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1SC(=S)N1CCOCC1 ZINC000018181006 558832792 /nfs/dbraw/zinc/83/27/92/558832792.db2.gz LNTXOXYPBIGGHW-UHFFFAOYSA-N 0 0 416.955 4.558 50 0 HJAARN Cc1ccc2nc(Nc3nc(C)c(Cc4cccc(Cl)c4)c(=O)[nH]3)nc(C)c2c1 ZINC000018222495 558834159 /nfs/dbraw/zinc/83/41/59/558834159.db2.gz HZOZAOLGARPJKC-UHFFFAOYSA-N 0 0 405.889 4.626 50 0 HJAARN C[C@@H]1CCC[C@@H](NC(=O)CCC(=O)Nc2ccc(OCc3ccccc3)cc2)[C@@H]1C ZINC000004598758 558834875 /nfs/dbraw/zinc/83/48/75/558834875.db2.gz BOQRVJRRDQKUTH-DNVFCKCGSA-N 0 0 408.542 4.925 50 0 HJAARN Nc1ccc2nc(SCC(=O)NC(c3ccccc3)c3ccccc3)sc2c1 ZINC000000837660 558835625 /nfs/dbraw/zinc/83/56/25/558835625.db2.gz FTTVBDIRSAQSPQ-UHFFFAOYSA-N 0 0 405.548 4.876 50 0 HJAARN COc1ccc(CCC(=O)Nc2ccc3c(c2)nc(CCc2ccccc2)n3C)cc1 ZINC000033020522 558836729 /nfs/dbraw/zinc/83/67/29/558836729.db2.gz XGLARGLMWFCSQY-UHFFFAOYSA-N 0 0 413.521 4.938 50 0 HJAARN Cc1ccc(CNC(=O)c2cccc(Nc3ccnc(-c4cccc(F)c4)n3)c2)o1 ZINC000033025339 558845076 /nfs/dbraw/zinc/84/50/76/558845076.db2.gz LAHXNRNZGMOHKF-UHFFFAOYSA-N 0 0 402.429 4.858 50 0 HJAARN Cc1ccc(NC(=O)Nc2ccccc2SCc2cc(=O)n3ccccc3n2)cc1 ZINC000033026562 558847892 /nfs/dbraw/zinc/84/78/92/558847892.db2.gz HPCKMZFAHCCRHK-UHFFFAOYSA-N 0 0 416.506 4.939 50 0 HJAARN CCOCCn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc(Cl)cc1Cl ZINC000013626110 558848610 /nfs/dbraw/zinc/84/86/10/558848610.db2.gz JFBMIOQUMYKNGD-PYCFMQQDSA-N 0 0 413.301 4.926 50 0 HJAARN O=C(c1ccco1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cccc2nccnc21 ZINC000072314690 558848669 /nfs/dbraw/zinc/84/86/69/558848669.db2.gz OWNSRYXYEVKJJA-IBGZPJMESA-N 0 0 402.841 4.868 50 0 HJAARN O=c1oc2ccccc2cc1-c1nn2c(nnc2-c2ccc(Cl)cc2Cl)s1 ZINC000013628204 558848805 /nfs/dbraw/zinc/84/88/05/558848805.db2.gz QHBWJOKNZAZFPG-UHFFFAOYSA-N 0 0 415.261 4.933 50 0 HJAARN CC(C)CCn1c(S[C@H](C)c2nc(C(C)(C)C)no2)nc2ccccc2c1=O ZINC000071185303 558856877 /nfs/dbraw/zinc/85/68/77/558856877.db2.gz LPBODLQYSCRZDE-CQSZACIVSA-N 0 0 400.548 4.976 50 0 HJAARN COc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)N4CCC(C)CC4)c3)C2)cc1 ZINC000033034688 558858754 /nfs/dbraw/zinc/85/87/54/558858754.db2.gz KQKKAPWIEXOGGY-QHCPKHFHSA-N 0 0 420.553 4.587 50 0 HJAARN C[C@H](c1ccccc1)N1CCn2c(nc3cc(NC(=O)c4cccs4)ccc32)C1 ZINC000052671672 558860596 /nfs/dbraw/zinc/86/05/96/558860596.db2.gz HXQGZRIPOTUXCY-MRXNPFEDSA-N 0 0 402.523 4.927 50 0 HJAARN COc1ccc2c(ccn2CCC(=O)N2CCc3[nH]c4ccc(Cl)cc4c3C2)c1 ZINC000072324692 558861491 /nfs/dbraw/zinc/86/14/91/558861491.db2.gz QLNCHFCYRCTZMF-UHFFFAOYSA-N 0 0 407.901 4.760 50 0 biogenic HJAARN O=C1N(Cc2cccc(Cl)c2)c2ccccc2[C@@]1(O)[C@H]1CCc2ccccc2C1=O ZINC000068713160 558864568 /nfs/dbraw/zinc/86/45/68/558864568.db2.gz WFAJNDAIPUCZRQ-SQJMNOBHSA-N 0 0 417.892 4.520 50 0 HJAARN Fc1ccc(CN2CCN(c3ncnc4scc(-c5ccc(F)cc5)c43)CC2)cc1 ZINC000054290411 558867423 /nfs/dbraw/zinc/86/74/23/558867423.db2.gz PWWQYZCGQUTHIW-UHFFFAOYSA-N 0 0 422.504 4.959 50 0 HJAARN CCCCOc1ccc(-c2cc(C(=O)NCc3ccc(OC)c(OCC)c3)[nH]n2)cc1 ZINC000072331585 558868184 /nfs/dbraw/zinc/86/81/84/558868184.db2.gz NGXBFGVLPDZDNK-UHFFFAOYSA-N 0 0 423.513 4.593 50 0 HJAARN Cc1oc(-c2ccc(C)cc2)nc1CN1CCN(C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000033085161 558869151 /nfs/dbraw/zinc/86/91/51/558869151.db2.gz WOQIYRRELDJFGN-UHFFFAOYSA-N 0 0 418.541 4.925 50 0 HJAARN CCOc1ccccc1CNC(=O)c1sc2nc(C)nc(N3CCCCC3)c2c1C ZINC000033084400 558869580 /nfs/dbraw/zinc/86/95/80/558869580.db2.gz QKZIXJPROIWBEH-UHFFFAOYSA-N 0 0 424.570 4.627 50 0 HJAARN COc1ccc2nc(-n3ncc4c3NC(=O)C[C@H]4c3ccc(SC)cc3)sc2c1 ZINC000033088163 558869901 /nfs/dbraw/zinc/86/99/01/558869901.db2.gz DBWRAUIZBPKXRE-HNNXBMFYSA-N 0 0 422.535 4.687 50 0 HJAARN CCOc1nc2ccccc2nc1N1CCC(C(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000033088312 558869993 /nfs/dbraw/zinc/86/99/93/558869993.db2.gz JVTIHRMSYAOXPV-UHFFFAOYSA-N 0 0 424.932 4.845 50 0 HJAARN CCCOc1nc2ccccc2nc1N1CCC(C(=O)Nc2ccc(F)cc2C)CC1 ZINC000033088363 558870249 /nfs/dbraw/zinc/87/02/49/558870249.db2.gz WOGDOCFGOWLIBP-UHFFFAOYSA-N 0 0 422.504 4.721 50 0 HJAARN CCN(CC)c1nc2ccccc2nc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000033085998 558870492 /nfs/dbraw/zinc/87/04/92/558870492.db2.gz JNLRBYMMQLTACE-UHFFFAOYSA-N 0 0 404.392 4.627 50 0 HJAARN C[C@H]1Cc2cc(Br)cc3c2n1cc(C(=O)NC1CCCCCCC1)c3=O ZINC000033089247 558871583 /nfs/dbraw/zinc/87/15/83/558871583.db2.gz QEFRIXKXUDBMKK-ZDUSSCGKSA-N 0 0 417.347 4.724 50 0 HJAARN CCc1cccc(NC(=O)c2nc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)c1 ZINC000033088595 558871651 /nfs/dbraw/zinc/87/16/51/558871651.db2.gz JMTUWDRKDPHENA-UHFFFAOYSA-N 0 0 417.416 4.686 50 0 HJAARN CCc1ccccc1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@H]2C ZINC000033089197 558871944 /nfs/dbraw/zinc/87/19/44/558871944.db2.gz MAZHMCJBJRMZQC-GFCCVEGCSA-N 0 0 411.299 4.696 50 0 HJAARN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN1C(=O)c1ccc2ccccc2n1 ZINC000033094083 558872457 /nfs/dbraw/zinc/87/24/57/558872457.db2.gz VRTQTEPDAFVPGZ-LJQANCHMSA-N 0 0 414.292 4.785 50 0 HJAARN COc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(F)c2)c1OC ZINC000004659645 558873328 /nfs/dbraw/zinc/87/33/28/558873328.db2.gz GBOXJEAYKMNJGC-BUHFOSPRSA-N 0 0 402.425 4.712 50 0 HJAARN COc1ccc(-c2cc3c(c(OC)c2)OCCN(Cc2cccc(F)c2)C3)cc1OC ZINC000055154866 558874427 /nfs/dbraw/zinc/87/44/27/558874427.db2.gz XWUSFPXFLXUSGD-UHFFFAOYSA-N 0 0 423.484 4.913 50 0 HJAARN O=C(CSc1nc(C(F)(F)F)nc2ccccc21)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000019354847 558875673 /nfs/dbraw/zinc/87/56/73/558875673.db2.gz BIHLQEJWPWIFQH-BBRMVZONSA-N 0 0 409.477 4.922 50 0 HJAARN CCOC(=O)c1cn([C@H](c2ncccc2C)C2CC2)cc(Oc2ccccc2)c1=O ZINC000055200290 558875724 /nfs/dbraw/zinc/87/57/24/558875724.db2.gz GXBSIUMJDINHRD-QFIPXVFZSA-N 0 0 404.466 4.520 50 0 HJAARN Cc1ccc(-c2nc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)no2)s1 ZINC000033122966 558879652 /nfs/dbraw/zinc/87/96/52/558879652.db2.gz PNJQHJAYEUWHSA-UHFFFAOYSA-N 0 0 415.471 4.713 50 0 HJAARN Cc1cc(C)cc(NC(=O)[C@H](C)Sc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)c1 ZINC000033128105 558881786 /nfs/dbraw/zinc/88/17/86/558881786.db2.gz BAMIHJPYJXXOHG-SFHVURJKSA-N 0 0 407.539 4.585 50 0 HJAARN CSc1ccc(-c2nc(CN3CCN(c4ccc(C(C)=O)cc4)CC3)c(C)o2)cc1 ZINC000055569072 558882873 /nfs/dbraw/zinc/88/28/73/558882873.db2.gz YNBFOSQYGGHCJA-UHFFFAOYSA-N 0 0 421.566 4.897 50 0 HJAARN Cc1ccc(CN(C(=S)NCC(=O)N[C@@H]2CCCC[C@@H]2C)C2CCCCC2)cc1 ZINC000004672746 558884743 /nfs/dbraw/zinc/88/47/43/558884743.db2.gz WIWJFMOCGUPIBP-SIKLNZKXSA-N 0 0 415.647 4.699 50 0 HJAARN CC(C)c1ccc(CNC(=O)Cn2c3ccccc3c(-c3ccccc3)nc2=O)cc1 ZINC000033048912 558886406 /nfs/dbraw/zinc/88/64/06/558886406.db2.gz NPVICBGJEZEZGU-UHFFFAOYSA-N 0 0 411.505 4.503 50 0 HJAARN COc1cccc(Oc2ccnc(-c3cccc(C(=O)NCc4ccccc4)c3)n2)c1 ZINC000033130596 558886975 /nfs/dbraw/zinc/88/69/75/558886975.db2.gz HFLGETXFVJPANL-UHFFFAOYSA-N 0 0 411.461 4.875 50 0 biogenic HJAARN CCOc1ccc2nc(NC(=O)CSc3nc(C)c(CC(C)C)[nH]3)sc2c1 ZINC000004625790 558889685 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COC(=O)c1ccc(/C=C(/Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)o1 ZINC000058103433 558899108 /nfs/dbraw/zinc/89/91/08/558899108.db2.gz YZDCNBWYCYUHKN-XYOKQWHBSA-N 0 0 424.265 4.560 50 0 HJAARN C[C@H](NC(=O)c1ccccc1NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccccc1 ZINC000004690411 558899802 /nfs/dbraw/zinc/89/98/02/558899802.db2.gz ZPANJEKALVVQIO-VSOYFRJCSA-N 0 0 414.461 4.558 50 0 HJAARN O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1cccc(Oc2ccccc2)c1 ZINC000058123505 558899971 /nfs/dbraw/zinc/89/99/71/558899971.db2.gz YHIWGDMDXLMEFH-UHFFFAOYSA-N 0 0 421.928 4.893 50 0 HJAARN COc1ccc(NC(=O)CSc2ncnc3c4cc(C)ccc4[nH]c32)cc1Cl ZINC000033172485 558900956 /nfs/dbraw/zinc/90/09/56/558900956.db2.gz SIXZUIZFYHPNNM-UHFFFAOYSA-N 0 0 412.902 4.812 50 0 HJAARN Cc1ccc(NC(=O)CSc2ncnc3c4cc(F)ccc4[nH]c32)c(Cl)c1 ZINC000033172622 558901163 /nfs/dbraw/zinc/90/11/63/558901163.db2.gz CFUMKOFWVPUBSQ-UHFFFAOYSA-N 0 0 400.866 4.943 50 0 HJAARN C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)N1CC=C(c2ccccc2)CC1 ZINC000058143684 558901640 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/nfs/dbraw/zinc/04/59/72/559045972.db2.gz IUZJLMFBSBQNID-UHFFFAOYSA-N 0 0 404.495 4.673 50 0 HJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1C[C@H](C)C[C@@H](C)C1 ZINC000004747723 559046087 /nfs/dbraw/zinc/04/60/87/559046087.db2.gz NXBHXJUJLANLDR-HZPDHXFCSA-N 0 0 400.544 4.508 50 0 HJAARN Cc1oc2cc3oc(=O)c(CC(=O)NCCc4ccccc4F)c(C)c3cc2c1C ZINC000004744147 559046351 /nfs/dbraw/zinc/04/63/51/559046351.db2.gz CAZPYKARYHEZSS-UHFFFAOYSA-N 0 0 407.441 4.505 50 0 HJAARN Cc1cc(C)nc(Sc2ccc(NC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)cc2)n1 ZINC000011287983 559049193 /nfs/dbraw/zinc/04/91/93/559049193.db2.gz TUTFPRQOCJCLNK-IBGZPJMESA-N 0 0 411.914 4.840 50 0 HJAARN Cc1cc(NC(=O)c2ccc3c(c2)OCO3)n(Cc2ccc(Cl)cc2Cl)n1 ZINC000004760950 559053385 /nfs/dbraw/zinc/05/33/85/559053385.db2.gz LZXCEJVPRYRDNQ-UHFFFAOYSA-N 0 0 404.253 4.528 50 0 HJAARN C[C@@H]1CCC[C@@H](NC(=O)c2cc3c(s2)-c2ccc(Cl)cc2S(=O)(=O)C3)[C@@H]1C ZINC000033316500 559055418 /nfs/dbraw/zinc/05/54/18/559055418.db2.gz UAZGGIDTDZMTQK-XHBSWPGZSA-N 0 0 423.987 4.910 50 0 HJAARN C/C=C/c1ccc(OCCn2c3ccccc3nc2[C@@H]2CCCN2C(C)=O)c(OC)c1 ZINC000033317697 559056059 /nfs/dbraw/zinc/05/60/59/559056059.db2.gz CEBNVMVZRODAQX-OIHWHRODSA-N 0 0 419.525 4.840 50 0 HJAARN C/C=C/c1ccc(OCCn2c3ccccc3nc2[C@H]2CCCN2C(C)=O)c(OC)c1 ZINC000033317700 559056101 /nfs/dbraw/zinc/05/61/01/559056101.db2.gz CEBNVMVZRODAQX-YKNILIKBSA-N 0 0 419.525 4.840 50 0 HJAARN COc1ccc(Nc2cc(C)nc3c(C)cc(Br)c(N)c23)cc1OC ZINC000085397593 559056761 /nfs/dbraw/zinc/05/67/61/559056761.db2.gz VVZNDUXSQUHHKX-UHFFFAOYSA-N 0 0 402.292 4.957 50 0 HJAARN Cc1ccccc1NC(=O)Cc1c(C)nc2nc(-c3ccccc3Cl)nn2c1C ZINC000086069684 559059294 /nfs/dbraw/zinc/05/92/94/559059294.db2.gz RBNTYOCFNGBUDH-UHFFFAOYSA-N 0 0 405.889 4.551 50 0 HJAARN O=C(Cc1csc(COc2ccccc2)n1)Nc1ccc(N2CCCCC2)cc1 ZINC000033326301 559059477 /nfs/dbraw/zinc/05/94/77/559059477.db2.gz VMENCYGFNIYFLZ-UHFFFAOYSA-N 0 0 407.539 4.894 50 0 HJAARN O=C(NC[C@@H](O)c1csc2ccccc21)C1c2ccccc2Oc2ccccc21 ZINC000585147984 559059585 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Cc1ccc(S(=O)(=O)N2c3ccccc3N(C(=O)c3ccccc3)[C@H]2C(C)C)cc1 ZINC000004778677 559061360 /nfs/dbraw/zinc/06/13/60/559061360.db2.gz AGFJMPNGBCAUNB-HSZRJFAPSA-N 0 0 420.534 4.833 50 0 HJAARN Cc1nc(-c2ccccn2)sc1C(=O)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000011361328 559061552 /nfs/dbraw/zinc/06/15/52/559061552.db2.gz LQGIQEBCQKBCOT-UHFFFAOYSA-N 0 0 404.451 4.611 50 0 HJAARN COc1ccccc1C(=O)Nc1nc(C)c(-c2nc(-c3cccc(C)c3)no2)s1 ZINC000033331327 559062297 /nfs/dbraw/zinc/06/22/97/559062297.db2.gz BJEAZGHGWJIZES-UHFFFAOYSA-N 0 0 406.467 4.738 50 0 HJAARN CCCc1nc(-c2cc3cc(C)ccc3nc2NCc2ccc3c(c2)OCO3)no1 ZINC000033331553 559062314 /nfs/dbraw/zinc/06/23/14/559062314.db2.gz BMQGRLIFJLPRDM-UHFFFAOYSA-N 0 0 402.454 4.887 50 0 HJAARN O=c1c(Cl)cc(C(F)(F)F)cn1CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000060815618 559068638 /nfs/dbraw/zinc/06/86/38/559068638.db2.gz IPYYXDFFHOMVSQ-DEOSSOPVSA-N 0 0 418.651 4.635 50 0 HJAARN O=S(=O)(c1ccc(Cl)cc1)n1nccc1-c1ncc(C(F)(F)F)cc1Cl ZINC000091695661 559073199 /nfs/dbraw/zinc/07/31/99/559073199.db2.gz UFZSCSMOFULEFQ-UHFFFAOYSA-N 0 0 422.215 4.508 50 0 HJAARN CCC1CCC(N(C(=O)Cn2c(C)csc2=O)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000072288049 559076229 /nfs/dbraw/zinc/07/62/29/559076229.db2.gz YDRQPRHUCGPOPO-VXESANQCSA-N 0 0 404.551 4.916 50 0 HJAARN CC(C)Oc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1 ZINC000011451134 559076751 /nfs/dbraw/zinc/07/67/51/559076751.db2.gz MOOWLBSZSSGSDO-UHFFFAOYSA-N 0 0 407.495 4.734 50 0 HJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCc1nc2ccccc2[nH]1 ZINC000011486249 559078362 /nfs/dbraw/zinc/07/83/62/559078362.db2.gz QWAPNBLGKKKMHM-UHFFFAOYSA-N 0 0 412.852 4.681 50 0 HJAARN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000095393625 559080997 /nfs/dbraw/zinc/08/09/97/559080997.db2.gz CVQCUGIJEZDUSL-QZTJIDSGSA-N 0 0 400.272 4.921 50 0 HJAARN Cc1nc(CSc2ccc(C(=O)OCC(=O)NC3CCCCCC3)cc2)cs1 ZINC000011535483 559088374 /nfs/dbraw/zinc/08/83/74/559088374.db2.gz QWMVEAABEHQSHK-UHFFFAOYSA-N 0 0 418.584 4.740 50 0 HJAARN Brc1cccc(CN2CCN(Cc3cccc(Br)c3)CC2)c1 ZINC000096769458 559112259 /nfs/dbraw/zinc/11/22/59/559112259.db2.gz KYUSTKYOXPSKCA-UHFFFAOYSA-N 0 0 424.180 4.529 50 0 HJAARN O=C(Cc1ccccc1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023310744 559114570 /nfs/dbraw/zinc/11/45/70/559114570.db2.gz MXVPRDAYOYNSHV-RUZDIDTESA-N 0 0 404.941 4.816 50 0 HJAARN CN1c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000097096707 559114967 /nfs/dbraw/zinc/11/49/67/559114967.db2.gz ILRPVKKYVVCONA-SFHVURJKSA-N 0 0 404.297 4.648 50 0 HJAARN COc1ccc([C@H]2CCCN2C(=O)CCC(=O)c2ccc3c(c2)CCC3)c(OC)c1 ZINC000023313141 559115992 /nfs/dbraw/zinc/11/59/92/559115992.db2.gz HBLZQWZIFVRRSE-JOCHJYFZSA-N 0 0 407.510 4.519 50 0 HJAARN Cc1cc(C(=O)COC(=O)CCc2ncc(-c3ccc(C)cc3)o2)c(C)n1C1CC1 ZINC000011645423 559119181 /nfs/dbraw/zinc/11/91/81/559119181.db2.gz XXJATMYKTGORHT-UHFFFAOYSA-N 0 0 406.482 4.762 50 0 HJAARN Cc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)c3cc(F)ccc3C)CC2)cc1 ZINC000023318776 559125707 /nfs/dbraw/zinc/12/57/07/559125707.db2.gz JICISFNKOHSOKT-RUZDIDTESA-N 0 0 402.513 4.990 50 0 HJAARN Cc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)c3cccnc3Cl)CC2)cc1 ZINC000023320137 559125828 /nfs/dbraw/zinc/12/58/28/559125828.db2.gz MAGTXTDSOXIJKC-JOCHJYFZSA-N 0 0 405.929 4.591 50 0 HJAARN Cc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1 ZINC000023319870 559125847 /nfs/dbraw/zinc/12/58/47/559125847.db2.gz RSISHNXLSYWSNA-XMMPIXPASA-N 0 0 406.476 4.821 50 0 HJAARN Cc1ccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c(F)c1 ZINC000098072939 559126462 /nfs/dbraw/zinc/12/64/62/559126462.db2.gz YOFTYAGUWVTAGU-UHFFFAOYSA-N 0 0 412.202 4.716 50 0 HJAARN O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072949 559126507 /nfs/dbraw/zinc/12/65/07/559126507.db2.gz QVMZNRDDCOVNFQ-UHFFFAOYSA-N 0 0 416.165 4.547 50 0 HJAARN Cc1cc(C)cc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1 ZINC000098072930 559126511 /nfs/dbraw/zinc/12/65/11/559126511.db2.gz AKJJEAVLTGWNII-UHFFFAOYSA-N 0 0 408.239 4.886 50 0 HJAARN CCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3ccc(Cl)cc3Cl)oc2c1 ZINC000100086451 559126811 /nfs/dbraw/zinc/12/68/11/559126811.db2.gz ZSYIMHJKDCHAMO-GFMRDNFCSA-N 0 0 404.297 4.917 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000098211515 559127386 /nfs/dbraw/zinc/12/73/86/559127386.db2.gz RLWHFNWSXNRMAP-UHFFFAOYSA-N 0 0 410.836 4.945 50 0 HJAARN Cc1ccc2c(C)nc(S[C@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3=O)nc2c1 ZINC000100115264 559129931 /nfs/dbraw/zinc/12/99/31/559129931.db2.gz LCNPFNPKUPSFNL-SFHVURJKSA-N 0 0 411.914 4.633 50 0 HJAARN FC(F)Oc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=Nc2ncnn21 ZINC000100716232 559138167 /nfs/dbraw/zinc/13/81/67/559138167.db2.gz BGTUKMDNXQLTAW-HNNXBMFYSA-N 0 0 419.229 4.698 50 0 HJAARN CCCn1cc([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc21 ZINC000100916220 559141665 /nfs/dbraw/zinc/14/16/65/559141665.db2.gz DZWLPUZPIZAJSA-KRWDZBQOSA-N 0 0 411.299 4.861 50 0 HJAARN Cc1nn2c(nc(C(C)C)cc2N2CCN(c3ccccn3)CC2)c1-c1ccccc1 ZINC000101212497 559144026 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CC(C)c1ccc(Nc2nnc(S[C@H](C)C(=O)NCc3ccco3)s2)cc1 ZINC000004835683 559165784 /nfs/dbraw/zinc/16/57/84/559165784.db2.gz PYRGXVVVHDREAZ-CYBMUJFWSA-N 0 0 402.545 4.795 50 0 HJAARN CC(C)CC(=O)n1nc(-c2ccco2)nc1NCc1ccc(Br)cc1 ZINC000014611265 559171170 /nfs/dbraw/zinc/17/11/70/559171170.db2.gz HPTPDZDNXCIPCX-UHFFFAOYSA-N 0 0 403.280 4.599 50 0 HJAARN Cc1nnc(-c2cc(C3CC3)n(-c3cccc(C(=O)N[C@@H]4CCC[C@H](C)[C@H]4C)c3)n2)o1 ZINC000023333468 559171872 /nfs/dbraw/zinc/17/18/72/559171872.db2.gz BTTRVCKKCZAQKA-BXTJHSDWSA-N 0 0 419.529 4.663 50 0 HJAARN COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)N(C(=O)c1ccc(C)cc1)CC2 ZINC000023336547 559172547 /nfs/dbraw/zinc/17/25/47/559172547.db2.gz MWFICJRHWQUSLA-XMMPIXPASA-N 0 0 405.469 4.939 50 0 HJAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccs2)cc1 ZINC000023435199 559174115 /nfs/dbraw/zinc/17/41/15/559174115.db2.gz PLZPQBMWSSBRQL-QFIPXVFZSA-N 0 0 409.507 4.562 50 0 HJAARN Cc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000011689936 559177939 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CCOc1ccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000033759365 559242497 /nfs/dbraw/zinc/24/24/97/559242497.db2.gz MRYHKWAYFWPRPG-LJQANCHMSA-N 0 0 408.458 4.513 50 0 HJAARN CC[C@H](C)N(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)C1CC1 ZINC000005095829 559245107 /nfs/dbraw/zinc/24/51/07/559245107.db2.gz SBAFPXJROXIKFP-INIZCTEOSA-N 0 0 416.562 4.762 50 0 HJAARN COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 ZINC000005114202 559247221 /nfs/dbraw/zinc/24/72/21/559247221.db2.gz DOIQXQWMLDMQRA-AWEZNQCLSA-N 0 0 419.433 4.787 50 0 HJAARN COc1ccc(C2(CNC(=O)C(c3ccccc3)c3ccccc3)CCOCC2)cc1 ZINC000005123741 559248098 /nfs/dbraw/zinc/24/80/98/559248098.db2.gz VBGWJMZZIJZEAD-UHFFFAOYSA-N 0 0 415.533 4.692 50 0 biogenic HJAARN Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)COc1ccccc1C ZINC000005136938 559249914 /nfs/dbraw/zinc/24/99/14/559249914.db2.gz LWKCWOUDPJUBKL-UHFFFAOYSA-N 0 0 400.931 4.818 50 0 HJAARN COc1ccc(Br)cc1CNC(=O)c1cc2oc3ccccc3c2n1C ZINC000005135230 559250401 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/nfs/dbraw/zinc/25/83/84/559258384.db2.gz NCZBYGYMXNCXKU-LBPRGKRZSA-N 0 0 407.779 4.929 50 0 HJAARN C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000247982869 559258588 /nfs/dbraw/zinc/25/85/88/559258588.db2.gz HZLFPOLILMWHIK-GBIKHYSHSA-N 0 0 420.888 4.577 50 0 HJAARN O=C(CCc1csc(NC(=O)c2cccs2)n1)Nc1ccc(F)c(Cl)c1 ZINC000011835212 559261064 /nfs/dbraw/zinc/26/10/64/559261064.db2.gz GWKTXCYRSFFLEN-UHFFFAOYSA-N 0 0 409.895 4.821 50 0 HJAARN COc1ccc(NC(=O)CCc2csc(NC(=O)c3ccccc3)n2)cc1Cl ZINC000011835414 559261193 /nfs/dbraw/zinc/26/11/93/559261193.db2.gz UARXXXAOPJZJKA-UHFFFAOYSA-N 0 0 415.902 4.629 50 0 HJAARN COc1cc(/C=C/c2ccncc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000011858539 559263084 /nfs/dbraw/zinc/26/30/84/559263084.db2.gz KDCQOSPFGFDKOM-AATRIKPKSA-N 0 0 421.449 4.506 50 0 HJAARN O=C(Cc1csc(-c2ccc(OC(F)(F)F)cc2)n1)NCCc1cccs1 ZINC000011865893 559264027 /nfs/dbraw/zinc/26/40/27/559264027.db2.gz FWFBTUUCBIKVOK-UHFFFAOYSA-N 0 0 412.458 4.672 50 0 HJAARN CCCCNC(=O)c1sc2ncnc(NCCc3c[nH]c4ccccc34)c2c1C ZINC000011869583 559264701 /nfs/dbraw/zinc/26/47/01/559264701.db2.gz BTNVXRSKGAEESK-UHFFFAOYSA-N 0 0 407.543 4.666 50 0 HJAARN CCCCOc1ccc(-c2nonc2NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000011914185 559267473 /nfs/dbraw/zinc/26/74/73/559267473.db2.gz PXXBTJHVTHQJRK-UHFFFAOYSA-N 0 0 401.850 4.586 50 0 HJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cc(-c2ccc(OCC)cc2)on1 ZINC000011915172 559267758 /nfs/dbraw/zinc/26/77/58/559267758.db2.gz BRMUYHSUGMYKSQ-UHFFFAOYSA-N 0 0 414.483 4.848 50 0 HJAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC(C)(C)c1noc(C(C)(C)C)n1 ZINC000063957304 559276688 /nfs/dbraw/zinc/27/66/88/559276688.db2.gz HHZPCFOZTTYUTE-UHFFFAOYSA-N 0 0 402.495 4.603 50 0 HJAARN O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1cc(=O)[nH]c2ccccc21 ZINC000252508087 559278111 /nfs/dbraw/zinc/27/81/11/559278111.db2.gz XCHVFKITEIMQPQ-JOCHJYFZSA-N 0 0 408.461 4.531 50 0 HJAARN Cc1ccccc1-c1nc2scc(CCNC(=O)C34CC5CC(CC(C5)C3)C4)n2n1 ZINC000005166612 559286860 /nfs/dbraw/zinc/28/68/60/559286860.db2.gz QUDHLGOTWVCRKY-UHFFFAOYSA-N 0 0 420.582 4.641 50 0 HJAARN O=C(/C=C/c1ccc(Cl)cc1)Nc1cc2cc(Br)ccc2oc1=O ZINC000005177356 559288905 /nfs/dbraw/zinc/28/89/05/559288905.db2.gz HUUDDVAVRPUWME-FPYGCLRLSA-N 0 0 404.647 4.861 50 0 HJAARN COc1cccc(N2C[C@@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)c1 ZINC000005197697 559292000 /nfs/dbraw/zinc/29/20/00/559292000.db2.gz JOMJNAJCRQKVTQ-FQEVSTJZSA-N 0 0 411.505 4.808 50 0 HJAARN COc1ccc(-c2nc(-n3cccc3)sc2C(=O)Nc2nc(C)c(C)s2)cc1 ZINC000061719081 559293502 /nfs/dbraw/zinc/29/35/02/559293502.db2.gz DHEWRYHFYWVETR-UHFFFAOYSA-N 0 0 410.524 4.935 50 0 HJAARN O=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)N1CCc2ccccc2C1 ZINC000000994448 560180185 /nfs/dbraw/zinc/18/01/85/560180185.db2.gz HAABNOIHSDVBOG-UHFFFAOYSA-N 0 0 422.410 4.614 50 0 biogenic,in-vitro HJAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2CC(=O)NC2CCCCC2)cc1 ZINC000012420651 560211843 /nfs/dbraw/zinc/21/18/43/560211843.db2.gz JBBLCTXSNSOSSX-SANMLTNESA-N 0 0 417.553 4.573 50 0 biogenic,in-vitro HJAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CCC(C)CC4)cc3N2)cc1 ZINC000005200885 560537658 /nfs/dbraw/zinc/53/76/58/560537658.db2.gz KEBRDWQRTQDEBP-FUHWJXTLSA-N 0 0 406.452 4.724 50 0 HJAARN COc1ccc([C@H]2CC(c3ccccc3OC(C)=O)=NN2C(=O)c2ccccc2)cc1 ZINC000005217348 560543888 /nfs/dbraw/zinc/54/38/88/560543888.db2.gz CJYPYUBEIBXZBH-HSZRJFAPSA-N 0 0 414.461 4.612 50 0 HJAARN Cc1csc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2cccc(F)c2)n1 ZINC000005235349 560548266 /nfs/dbraw/zinc/54/82/66/560548266.db2.gz SUXCKXIBTNDJRJ-SFHVURJKSA-N 0 0 406.438 4.755 50 0 HJAARN Cc1cc(C)c(NC(=O)[C@]2(N3CCC3=O)CC[C@@H]3Cc4ccccc4C[C@H]3C2)c(C)c1 ZINC000005242581 560549711 /nfs/dbraw/zinc/54/97/11/560549711.db2.gz ZTLLWPGTVMCZDW-KHVXQDHOSA-N 0 0 416.565 4.737 50 0 HJAARN COc1cc(OC)c(OC)cc1CNC(=O)CC(c1ccccc1)c1ccccc1 ZINC000005246246 560550581 /nfs/dbraw/zinc/55/05/81/560550581.db2.gz BXQQPAXTNRGFGQ-UHFFFAOYSA-N 0 0 405.494 4.551 50 0 HJAARN CC[C@H](C(=O)Nc1cc(-n2c(C)nc3ccccc3c2=O)ccc1F)c1ccccc1 ZINC000005259092 560551258 /nfs/dbraw/zinc/55/12/58/560551258.db2.gz GYJGYZLYUFOXGA-IBGZPJMESA-N 0 0 415.468 4.966 50 0 HJAARN COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 ZINC000005253467 560551868 /nfs/dbraw/zinc/55/18/68/560551868.db2.gz ZYDQKCMGLCHIGY-GBXCKJPGSA-N 0 0 400.434 4.666 50 0 HJAARN CCCCCOc1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)OCC)cc1 ZINC000005253923 560551870 /nfs/dbraw/zinc/55/18/70/560551870.db2.gz JFMYOZXGRGXUMJ-HSZRJFAPSA-N 0 0 422.525 4.641 50 0 HJAARN O=C(CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1)NCc1ccco1 ZINC000005255743 560552332 /nfs/dbraw/zinc/55/23/32/560552332.db2.gz QPBUHVOMLJGPLV-UHFFFAOYSA-N 0 0 401.538 4.868 50 0 HJAARN S=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl)NC[C@@H]1CCCO1 ZINC000006335544 560556300 /nfs/dbraw/zinc/55/63/00/560556300.db2.gz TZBOBUYUGJHYDP-YJBOKZPZSA-N 0 0 413.974 4.596 50 0 HJAARN COc1ccc(/C=C/C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000001960787 560558955 /nfs/dbraw/zinc/55/89/55/560558955.db2.gz KVGXTXZEQPNKTC-RUDMXATFSA-N 0 0 413.779 4.563 50 0 HJAARN O=c1/c(=C/c2ccc(-c3ccccc3)cc2)sc2nnc(-c3ccccc3Cl)n12 ZINC000002393451 560559875 /nfs/dbraw/zinc/55/98/75/560559875.db2.gz LEFSYBFVRMJEGO-ZHZULCJRSA-N 0 0 415.905 4.686 50 0 HJAARN COc1ccc2cc(C(=O)N(Cc3ccco3)Cc3ccc(OC)c(OC)c3)[nH]c2c1 ZINC000005303788 560562971 /nfs/dbraw/zinc/56/29/71/560562971.db2.gz INNAOYPEXDTGON-UHFFFAOYSA-N 0 0 420.465 4.629 50 0 HJAARN Cc1cc(C)c(NC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)c(C)c1 ZINC000005305048 560563162 /nfs/dbraw/zinc/56/31/62/560563162.db2.gz QKORTVLVPPPPCO-UHFFFAOYSA-N 0 0 415.468 4.761 50 0 HJAARN CCN(C(=O)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O)c1ccccc1 ZINC000005305479 560563355 /nfs/dbraw/zinc/56/33/55/560563355.db2.gz MPWUTFRRBJHNCD-UHFFFAOYSA-N 0 0 417.896 4.765 50 0 HJAARN Cc1cccc(NC(=O)c2cc3cccnc3n(Cc3ccc(Cl)cc3)c2=O)c1 ZINC000005305485 560563364 /nfs/dbraw/zinc/56/33/64/560563364.db2.gz YDMLVHHAWQEPHR-UHFFFAOYSA-N 0 0 403.869 4.659 50 0 HJAARN Cc1cccc(C)c1NC(=O)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O ZINC000005305503 560563447 /nfs/dbraw/zinc/56/34/47/560563447.db2.gz RIXSIQORLYMMLP-UHFFFAOYSA-N 0 0 417.896 4.967 50 0 HJAARN Cc1cc2oc(=O)c(CC(=O)NCc3cccnc3)c(C)c2c2occ(C(C)(C)C)c21 ZINC000005346163 560570258 /nfs/dbraw/zinc/57/02/58/560570258.db2.gz HHRRUGIUYMPVDL-UHFFFAOYSA-N 0 0 418.493 4.707 50 0 HJAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCc1ccncc1)occ3C(C)(C)C ZINC000005348030 560570865 /nfs/dbraw/zinc/57/08/65/560570865.db2.gz PTHVUONTPCCYMJ-UHFFFAOYSA-N 0 0 418.493 4.789 50 0 HJAARN C[C@H](OC(=O)CCc1ccccc1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000005367731 560572246 /nfs/dbraw/zinc/57/22/46/560572246.db2.gz HRMLCRCZRBTVDU-ZDUSSCGKSA-N 0 0 416.449 4.591 50 0 HJAARN CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2cccc3ccccc32)cc1 ZINC000005373364 560574370 /nfs/dbraw/zinc/57/43/70/560574370.db2.gz ULIQFWGIBPVHCV-UHFFFAOYSA-N 0 0 408.523 4.655 50 0 HJAARN CCc1cccc(C)c1NC(=O)COc1ccccc1C(=O)NCc1ccccc1 ZINC000005437768 560586781 /nfs/dbraw/zinc/58/67/81/560586781.db2.gz OKADCACDEWRNRW-UHFFFAOYSA-N 0 0 402.494 4.505 50 0 HJAARN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCCC3)cc2)c1 ZINC000002658082 560587290 /nfs/dbraw/zinc/58/72/90/560587290.db2.gz BGJHTNRCVKBSRD-UHFFFAOYSA-N 0 0 400.544 4.557 50 0 HJAARN Cc1c(O)ccc2c(CSc3nnc(-c4ccccc4Cl)n3C)cc(=O)oc12 ZINC000005448105 560589097 /nfs/dbraw/zinc/58/90/97/560589097.db2.gz WOMZMNRVPLQEEF-UHFFFAOYSA-N 0 0 413.886 4.548 50 0 HJAARN Cc1nc2sc3c(c2c(SCC(=O)N2CCCc4ccccc42)n1)CCCC3 ZINC000003268718 560591064 /nfs/dbraw/zinc/59/10/64/560591064.db2.gz WYGLGVIKGFERSE-UHFFFAOYSA-N 0 0 409.580 4.950 50 0 HJAARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1cccc2ccccc21 ZINC000005455383 560591148 /nfs/dbraw/zinc/59/11/48/560591148.db2.gz KPSOITUVSVTJRJ-UHFFFAOYSA-N 0 0 422.550 4.504 50 0 HJAARN Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3OC(F)F)s2)c1 ZINC000003343747 560593751 /nfs/dbraw/zinc/59/37/51/560593751.db2.gz XYFPSGHXOGKBFV-UHFFFAOYSA-N 0 0 422.482 4.922 50 0 HJAARN COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cc2c(s1)CC[C@H](C)C2 ZINC000003382399 560593969 /nfs/dbraw/zinc/59/39/69/560593969.db2.gz SSTFUSFPXVHKCF-NSHDSACASA-N 0 0 407.919 4.639 50 0 HJAARN COc1cccc(OC)c1C(=O)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1 ZINC000005484129 560596758 /nfs/dbraw/zinc/59/67/58/560596758.db2.gz OXTLDPUQEJREBK-UHFFFAOYSA-N 0 0 421.497 4.729 50 0 HJAARN Cc1oc2cc(OCC(=O)N[C@@H]3CCCC[C@@H]3C)ccc2c(=O)c1-c1ccccc1 ZINC000005497955 560598193 /nfs/dbraw/zinc/59/81/93/560598193.db2.gz RDUQITYXBDNZHB-HRAATJIYSA-N 0 0 405.494 4.842 50 0 HJAARN Cc1oc2cc(O[C@H](C)C(=O)NCc3ccccc3)ccc2c(=O)c1-c1ccccc1 ZINC000005498020 560598257 /nfs/dbraw/zinc/59/82/57/560598257.db2.gz CGLAYTZMGQGCSF-GOSISDBHSA-N 0 0 413.473 4.852 50 0 HJAARN Clc1cccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=N3)c1 ZINC000005515982 560603930 /nfs/dbraw/zinc/60/39/30/560603930.db2.gz ZOQYDPIIIKWEMA-YADHBBJMSA-N 0 0 413.868 4.539 50 0 HJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccnc2)N1CCc1ccccc1 ZINC000005516543 560604514 /nfs/dbraw/zinc/60/45/14/560604514.db2.gz DBQLRILGINIUFU-NRFANRHFSA-N 0 0 416.864 4.629 50 0 HJAARN Cc1ccc(C)c([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000005517252 560604587 /nfs/dbraw/zinc/60/45/87/560604587.db2.gz AZWRXTURPPEQAD-SFHVURJKSA-N 0 0 403.404 4.589 50 0 HJAARN CCCCC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1Cl ZINC000005525644 560604915 /nfs/dbraw/zinc/60/49/15/560604915.db2.gz GVRUEGAFAFXREY-UHFFFAOYSA-N 0 0 401.315 4.923 50 0 HJAARN COc1ccccc1-c1cnc(N)nc1-c1ccc(OCc2ccc(F)cc2)cc1O ZINC000005532988 560606198 /nfs/dbraw/zinc/60/61/98/560606198.db2.gz BZAFBWJGAGQBMJ-UHFFFAOYSA-N 0 0 417.440 4.825 50 0 HJAARN O=C(Cc1ccccc1)NCCc1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000005545829 560607516 /nfs/dbraw/zinc/60/75/16/560607516.db2.gz PGCZOSQXURBZJP-UHFFFAOYSA-N 0 0 403.913 4.639 50 0 HJAARN Cc1cc2oc(=O)c3c(c2cc1OCC(=O)c1ccc(N2CCCC2)cc1)CCCC3 ZINC000005547366 560607724 /nfs/dbraw/zinc/60/77/24/560607724.db2.gz GMPSRECHLRZYPW-UHFFFAOYSA-N 0 0 417.505 4.842 50 0 HJAARN COC(=O)CSc1cc(C(C)(C)C)nc2c(-c3ccc(Cl)cc3)c(C)nn21 ZINC000005562622 560618773 /nfs/dbraw/zinc/61/87/73/560618773.db2.gz IPOGAJIJDVCCQL-UHFFFAOYSA-N 0 0 403.935 4.921 50 0 HJAARN CCc1cccc(C)c1NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000005042917 560623935 /nfs/dbraw/zinc/62/39/35/560623935.db2.gz LLXYLCZZWJUCMQ-UHFFFAOYSA-N 0 0 401.462 4.584 50 0 HJAARN CCN(CC)P(=NC(=O)C(Cl)(Cl)Cl)(N(CC)CC)N(CC)CC ZINC000005194468 560625207 /nfs/dbraw/zinc/62/52/07/560625207.db2.gz BICJCPQUVLZVQY-UHFFFAOYSA-N 0 0 407.754 4.855 50 0 HJAARN Cc1cccc(OCc2nc3ccccc3n2C[C@H](O)COc2c(C)cccc2C)c1 ZINC000005589741 560627295 /nfs/dbraw/zinc/62/72/95/560627295.db2.gz WTAPALCONWWMNJ-NRFANRHFSA-N 0 0 416.521 4.980 50 0 HJAARN O=C(CSc1nc2ccccc2s1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000005629055 560634898 /nfs/dbraw/zinc/63/48/98/560634898.db2.gz NFWWGDKBCPQGKY-UHFFFAOYSA-N 0 0 411.552 4.700 50 0 HJAARN Cn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000008900483 560640180 /nfs/dbraw/zinc/64/01/80/560640180.db2.gz MKGMJDIBRKWNOB-UHFFFAOYSA-N 0 0 420.563 4.865 50 0 HJAARN CCCn1c(=O)c2ccc(Cl)cc2nc1S[C@H](C)C(=O)Nc1ccccc1F ZINC000008988565 560641132 /nfs/dbraw/zinc/64/11/32/560641132.db2.gz JRJALXLCNKJROD-GFCCVEGCSA-N 0 0 419.909 4.718 50 0 HJAARN Nc1c2ccc(-c3ccncc3)nc2sc1C(=O)NCCc1cccc(Cl)c1 ZINC000005660019 560641392 /nfs/dbraw/zinc/64/13/92/560641392.db2.gz MLJOPGDZQJFQIY-UHFFFAOYSA-N 0 0 408.914 4.566 50 0 HJAARN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2cccc(Cl)c2)c1 ZINC000015590224 560644978 /nfs/dbraw/zinc/64/49/78/560644978.db2.gz LFSBXOFAKISTFF-UHFFFAOYSA-N 0 0 400.935 4.618 50 0 HJAARN O=C(NCCOc1ccc(-c2ccccc2)nn1)C1c2ccccc2Oc2ccccc21 ZINC000017191991 560703586 /nfs/dbraw/zinc/70/35/86/560703586.db2.gz GKJKPHKGHADTMX-UHFFFAOYSA-N 0 0 423.472 4.576 50 0 HJAARN C[C@@H]1C[C@@H](NC(=O)N[C@@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)CC(C)(C)C1 ZINC000017244176 560705311 /nfs/dbraw/zinc/70/53/11/560705311.db2.gz PPVGAUHXBGNDKD-QAMHXRKUSA-N 0 0 406.832 4.841 50 0 HJAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccccc1-c1ccccc1 ZINC000017305979 560707229 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HJAARN O=C(Cc1cccc2ccccc21)N1CCC[C@H](C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000046045250 568425194 /nfs/dbraw/zinc/42/51/94/568425194.db2.gz IJCFLINTPILYNG-SFHVURJKSA-N 0 0 408.448 4.538 50 0 HJAARN CC[C@H](C)NC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(C)cc3)ccc2s1 ZINC000046058576 568426494 /nfs/dbraw/zinc/42/64/94/568426494.db2.gz GBMRIAHHEMBEHZ-HNNXBMFYSA-N 0 0 416.568 4.563 50 0 HJAARN COc1ccc(-c2csc3c2NC(=O)C[C@H]3c2cc(OC)c(O)c(OC)c2)cc1 ZINC000046076282 568427136 /nfs/dbraw/zinc/42/71/36/568427136.db2.gz YGEBMHRRDQZFPF-HNNXBMFYSA-N 0 0 411.479 4.621 50 0 HJAARN COc1ccccc1NC(=O)c1cccc(N2CCCN(Cc3ccccc3)C2=O)c1 ZINC000046080024 568428003 /nfs/dbraw/zinc/42/80/03/568428003.db2.gz QHOXSUOQWBUWCY-UHFFFAOYSA-N 0 0 415.493 4.780 50 0 HJAARN CCC(CC)C(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)C1 ZINC000046122780 568428337 /nfs/dbraw/zinc/42/83/37/568428337.db2.gz JVCUOZYQXCSKRY-CQSZACIVSA-N 0 0 420.966 4.586 50 0 HJAARN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCC(c2ccc(O)cc2)CC1 ZINC000048135589 568432209 /nfs/dbraw/zinc/43/22/09/568432209.db2.gz VIUOMZXQAPGTOQ-UHFFFAOYSA-N 0 0 410.514 4.907 50 0 HJAARN COc1ccc(NC(=O)N[C@H](c2cccs2)C2CCCC2)cc1N1CCCC1=O ZINC000048234602 568432588 /nfs/dbraw/zinc/43/25/88/568432588.db2.gz WNFJOTNZJNUNFD-NRFANRHFSA-N 0 0 413.543 4.937 50 0 HJAARN CC(C)[C@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)N(C)c1ccccc1 ZINC000048235010 568432679 /nfs/dbraw/zinc/43/26/79/568432679.db2.gz QOAVQKADLCZASQ-FQEVSTJZSA-N 0 0 417.538 4.595 50 0 HJAARN Cc1ccc(-c2nnc(CCC(=O)N[C@@H]3CCSc4ccc(Cl)cc43)o2)cc1 ZINC000048237562 568433126 /nfs/dbraw/zinc/43/31/26/568433126.db2.gz JODKSSKMRNPSKP-QGZVFWFLSA-N 0 0 413.930 4.984 50 0 HJAARN COC(=O)CC1CCN(C(=O)c2ccccc2-c2ncc(-c3ccc(C)cc3)o2)CC1 ZINC000048251348 568434221 /nfs/dbraw/zinc/43/42/21/568434221.db2.gz DAPCQABWXUNAQA-UHFFFAOYSA-N 0 0 418.493 4.732 50 0 HJAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1cccc3c1OCCO3)CC2 ZINC000048325817 568438813 /nfs/dbraw/zinc/43/88/13/568438813.db2.gz WWQUGFPZOYYJQR-QHCPKHFHSA-N 0 0 423.534 4.684 50 0 HJAARN Cc1c([C@H](C)NC(=O)CCOc2ccccc2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000048326237 568439208 /nfs/dbraw/zinc/43/92/08/568439208.db2.gz KJYVUIDJXZHQHY-HNNXBMFYSA-N 0 0 417.431 4.846 50 0 HJAARN Cc1ccc(-c2csc3ncnc(N(C)Cc4nnc5n4CCCCC5)c23)cc1C ZINC000048333491 568439556 /nfs/dbraw/zinc/43/95/56/568439556.db2.gz GORLNKHWQKIXJS-UHFFFAOYSA-N 0 0 418.570 4.929 50 0 HJAARN CN(Cc1ccc(Br)o1)Cn1nc2c(Cl)cc(Cl)cn2c1=S ZINC000048340542 568440227 /nfs/dbraw/zinc/44/02/27/568440227.db2.gz OJNMPSMDMZQVON-UHFFFAOYSA-N 0 0 422.135 4.617 50 0 HJAARN Cn1c2ccccc2nc1[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccccc1 ZINC000048344065 568440760 /nfs/dbraw/zinc/44/07/60/568440760.db2.gz YHKOQBIXJRTHJT-VWLOTQADSA-N 0 0 408.505 4.893 50 0 HJAARN O=C(Nc1ccnn1Cc1cccc(Br)c1)c1ccc(Cl)cc1F ZINC000048374258 568442079 /nfs/dbraw/zinc/44/20/79/568442079.db2.gz RMYRUMAZZQVMIG-UHFFFAOYSA-N 0 0 408.658 4.739 50 0 HJAARN COc1cc(CSCc2csc(NC(=O)c3cccc(F)c3)n2)cc(OC)c1 ZINC000012230249 568442758 /nfs/dbraw/zinc/44/27/58/568442758.db2.gz QYDFETJMFQOGCH-UHFFFAOYSA-N 0 0 418.515 4.985 50 0 HJAARN CCOc1ccc(Nc2cc(C(=O)N3CCSCC3)nc3ccc(C)cc32)cc1 ZINC000048987313 568443958 /nfs/dbraw/zinc/44/39/58/568443958.db2.gz WDMVANYZXQJSEH-UHFFFAOYSA-N 0 0 407.539 4.875 50 0 HJAARN O=C(Nc1cccc(F)c1)c1csc(Cc2nc(-c3ccccc3Cl)no2)n1 ZINC000049006154 568444703 /nfs/dbraw/zinc/44/47/03/568444703.db2.gz SKGFUBXSVSVDAK-UHFFFAOYSA-N 0 0 414.849 4.829 50 0 HJAARN Cc1cc(C)cc(-n2ccc(=O)c(-c3nc(-c4cccc(C(F)(F)F)c4)no3)n2)c1 ZINC000049006355 568444797 /nfs/dbraw/zinc/44/47/97/568444797.db2.gz OLBTVTNCSAPQAK-UHFFFAOYSA-N 0 0 412.371 4.585 50 0 HJAARN COc1cc(CNC(=O)c2cccc(-n3ccc4ccccc43)c2)cc(OC)c1OC ZINC000049027551 568445670 /nfs/dbraw/zinc/44/56/70/568445670.db2.gz GCIJNYIGJFXSSL-UHFFFAOYSA-N 0 0 416.477 4.586 50 0 HJAARN Cc1ccc(NC(=O)CSc2ccc(-n3cnc(-c4ccccc4)c3)nn2)c(C)c1 ZINC000049401203 568447751 /nfs/dbraw/zinc/44/77/51/568447751.db2.gz USZFUQSSYZKAGG-UHFFFAOYSA-N 0 0 415.522 4.677 50 0 HJAARN Cc1ccccc1CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1cccn2cnnc12 ZINC000049404976 568448598 /nfs/dbraw/zinc/44/85/98/568448598.db2.gz PWUOIUUYVAREJC-UHFFFAOYSA-N 0 0 420.538 4.557 50 0 HJAARN Cc1cccc(C(=O)Nc2ccc(Cn3cnc(C(=O)Nc4ccccc4)c3)cc2)c1 ZINC000049422253 568450791 /nfs/dbraw/zinc/45/07/91/568450791.db2.gz IJTSCFDHIUJCBG-UHFFFAOYSA-N 0 0 410.477 4.744 50 0 HJAARN Cn1c(=O)sc2c1N(c1ccc(F)cc1)C(=O)C[C@@H]2c1c(F)cccc1Cl ZINC000049544093 568451244 /nfs/dbraw/zinc/45/12/44/568451244.db2.gz DPTZRIAWYASWGZ-GFCCVEGCSA-N 0 0 406.841 4.579 50 0 HJAARN CC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccccc2Cl)cs1)c1cccs1 ZINC000012253589 568456218 /nfs/dbraw/zinc/45/62/18/568456218.db2.gz HIDJVXPVAJLFQX-AWEZNQCLSA-N 0 0 405.932 4.731 50 0 HJAARN COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)c1sc(-c2cccs2)nc1C ZINC000018463316 568457084 /nfs/dbraw/zinc/45/70/84/568457084.db2.gz MRGZABNYSWFFBX-CYBMUJFWSA-N 0 0 416.524 4.681 50 0 HJAARN O=C(C1CC1)N(Cc1ccccc1Cl)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000006753648 568458445 /nfs/dbraw/zinc/45/84/45/568458445.db2.gz ZMSKMWHRJARTEE-GOSISDBHSA-N 0 0 403.309 4.925 50 0 HJAARN CCCCc1cc(=O)oc2cc(C)c3c(c12)O[C@@H](c1ccc(O)c(OC)c1)CC3=O ZINC000012296521 568462640 /nfs/dbraw/zinc/46/26/40/568462640.db2.gz POMHTPFXPZXWPY-GOSISDBHSA-N 0 0 408.450 4.865 50 0 biogenic HJAARN O=C(Nc1ccccc1)Oc1c(Cl)cc2oc(=O)sc2c1Br ZINC000000711527 568465266 /nfs/dbraw/zinc/46/52/66/568465266.db2.gz JNYMIZWCWAPLLF-UHFFFAOYSA-N 0 0 400.637 4.881 50 0 HJAARN CCOc1ccccc1Nc1nnc(SCCC(=O)Nc2ccccc2F)s1 ZINC000024830294 568469853 /nfs/dbraw/zinc/46/98/53/568469853.db2.gz IXPQTNYNBHSUFL-UHFFFAOYSA-N 0 0 418.519 4.940 50 0 HJAARN COc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1Br ZINC000000730789 568469855 /nfs/dbraw/zinc/46/98/55/568469855.db2.gz QYSXUGDVXOIGKM-UHFFFAOYSA-N 0 0 424.254 4.913 50 0 HJAARN O=C(NCc1ccccc1)Nc1ccc(N2CCCC2)c(C(=O)NC2CCCCC2)c1 ZINC000000748118 568470460 /nfs/dbraw/zinc/47/04/60/568470460.db2.gz HDMYDCJEGXWZHO-UHFFFAOYSA-N 0 0 420.557 4.671 50 0 HJAARN Cc1ccccc1C(=O)N(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)C1CC1 ZINC000000741720 568470471 /nfs/dbraw/zinc/47/04/71/568470471.db2.gz GGZZGOXMDUIWSS-UHFFFAOYSA-N 0 0 420.484 4.561 50 0 HJAARN CCOc1cc2c(cc1/C=C1\CCn3c1nc1cc(Cl)ccc1c3=O)O[C@H](C)C2 ZINC000007699700 568484074 /nfs/dbraw/zinc/48/40/74/568484074.db2.gz UBIXQRATYLOLAA-OZYJXZHSSA-N 0 0 408.885 4.716 50 0 HJAARN C[C@H](OC(=O)c1cc2c(s1)CC[C@@H](C)C2)C(=O)Nc1ncc(Cl)cc1Cl ZINC000005773205 568485710 /nfs/dbraw/zinc/48/57/10/568485710.db2.gz HJWGKDLZRFXPJD-ZJUUUORDSA-N 0 0 413.326 4.759 50 0 HJAARN C[C@H](OC(=O)c1cc2c(s1)CC[C@H](C)C2)C(=O)Nc1ncc(Cl)cc1Cl ZINC000005773209 568485793 /nfs/dbraw/zinc/48/57/93/568485793.db2.gz HJWGKDLZRFXPJD-UWVGGRQHSA-N 0 0 413.326 4.759 50 0 HJAARN CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1c(C)noc1C ZINC000008071351 568489991 /nfs/dbraw/zinc/48/99/91/568489991.db2.gz XYTKVAZCGZLANP-UHFFFAOYSA-N 0 0 400.500 4.603 50 0 HJAARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000604405453 568492620 /nfs/dbraw/zinc/49/26/20/568492620.db2.gz SYZHJSUSIVBYRT-LJQANCHMSA-N 0 0 407.470 4.537 50 0 biogenic HJAARN CC(C)C[C@H](NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1nnc2ccccn21 ZINC000604419047 568493130 /nfs/dbraw/zinc/49/31/30/568493130.db2.gz QAQZXKVAOCYSMP-HNNXBMFYSA-N 0 0 407.396 4.537 50 0 HJAARN Cc1nc(-c2ccc(S(=O)(=O)N[C@H](c3ccsc3)c3cccs3)cc2)co1 ZINC000390830605 568495256 /nfs/dbraw/zinc/49/52/56/568495256.db2.gz MDSGFFSKIMUUFI-LJQANCHMSA-N 0 0 416.549 4.841 50 0 HJAARN Cc1ccc(-n2nc(S[C@@H](C)C(=O)Nc3cccc(Cl)c3C)ccc2=O)cc1 ZINC000033128293 568511211 /nfs/dbraw/zinc/51/12/11/568511211.db2.gz MDDYFVNECFHEDK-HNNXBMFYSA-N 0 0 413.930 4.622 50 0 HJAARN C[C@@H](C(=O)NC1CCCCC1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000033113949 568511544 /nfs/dbraw/zinc/51/15/44/568511544.db2.gz DKAMHGRFQQIWMM-OAHLLOKOSA-N 0 0 415.965 4.759 50 0 HJAARN O=C(CSc1ncnc2c3cc(F)ccc3[nH]c21)Nc1ccc(F)c(Cl)c1 ZINC000033172646 568511698 /nfs/dbraw/zinc/51/16/98/568511698.db2.gz CKXZJWZPSPYDHZ-UHFFFAOYSA-N 0 0 404.829 4.774 50 0 HJAARN O=C(CSCc1nc(-c2ccc(Cl)cc2)no1)NCc1ccccc1Cl ZINC000033250365 568511954 /nfs/dbraw/zinc/51/19/54/568511954.db2.gz QZTAPXJSCGTPMQ-UHFFFAOYSA-N 0 0 408.310 4.593 50 0 HJAARN CC(C)Cc1csc(-c2csc(S(=O)(=O)NCc3ccc(F)cc3)c2)n1 ZINC000033297746 568513174 /nfs/dbraw/zinc/51/31/74/568513174.db2.gz IYCIZBXGTCXPBG-UHFFFAOYSA-N 0 0 410.561 4.688 50 0 HJAARN CCOc1ccc(Nc2nc(-c3nnn(-c4ccc(Cl)cc4)c3C)ns2)cc1 ZINC000033302098 568513342 /nfs/dbraw/zinc/51/33/42/568513342.db2.gz NAQAJKJSFBPXNC-UHFFFAOYSA-N 0 0 412.906 4.890 50 0 HJAARN O=S(=O)(c1nc(-c2ccccc2)oc1NCc1ccc(F)cc1)c1ccccc1 ZINC000034341583 568534294 /nfs/dbraw/zinc/53/42/94/568534294.db2.gz YTYJAUOMNXXLFC-UHFFFAOYSA-N 0 0 408.454 4.926 50 0 HJAARN Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2N2CCCCCC2)cc1 ZINC000020069228 568587211 /nfs/dbraw/zinc/58/72/11/568587211.db2.gz DEKXLBLLFFYPFP-UHFFFAOYSA-N 0 0 402.541 4.925 50 0 HJAARN CCOC(=O)CSC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000020152021 568590690 /nfs/dbraw/zinc/59/06/90/568590690.db2.gz KZLKQRJTMBEBEV-LICLKQGHSA-N 0 0 418.877 4.519 50 0 HJAARN C[C@@H]1C[C@H](C)CN(C(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2c[nH]c3ccccc32)C1 ZINC000020154553 568591094 /nfs/dbraw/zinc/59/10/94/568591094.db2.gz RIWFNDWJYRDXTG-JSMQRPJFSA-N 0 0 415.537 4.583 50 0 HJAARN O=C(c1ccc2ncsc2c1)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 ZINC000390826232 568591187 /nfs/dbraw/zinc/59/11/87/568591187.db2.gz FWKNKGTXLSJINR-UHFFFAOYSA-N 0 0 417.538 4.640 50 0 HJAARN CCCC1=Nc2cc(C(=O)NCCCN3CCOCC3)ccc2Sc2ccccc21 ZINC000020178851 568592994 /nfs/dbraw/zinc/59/29/94/568592994.db2.gz WPQCKCZVEKGYQI-UHFFFAOYSA-N 0 0 423.582 4.524 50 0 HJAARN C[C@H](NC(=O)c1cccc(F)c1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020288455 568597790 /nfs/dbraw/zinc/59/77/90/568597790.db2.gz IKRAOXRPOHZFJZ-MBSDFSHPSA-N 0 0 423.557 4.569 50 0 HJAARN C[C@H](NC(=O)c1ccc(F)cc1)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020288461 568597950 /nfs/dbraw/zinc/59/79/50/568597950.db2.gz IYGIPWWXXZHXFW-FDDCHVKYSA-N 0 0 423.557 4.569 50 0 HJAARN COc1ccc([C@H]2N=C(c3ccccc3O)C[C@@H](c3cc(OC)ccc3OC)N2)cc1 ZINC000080325070 568601492 /nfs/dbraw/zinc/60/14/92/568601492.db2.gz XLOIZIFVKKWIGH-DHLKQENFSA-N 0 0 418.493 4.641 50 0 HJAARN C[C@H]1CCCN(c2c3cc(Cl)ccc3ncc2S(=O)(=O)c2ccccc2)C1 ZINC000020381078 568602634 /nfs/dbraw/zinc/60/26/34/568602634.db2.gz VKUYAMQBJBIOQZ-HNNXBMFYSA-N 0 0 400.931 4.957 50 0 HJAARN O=C(NCc1ccccc1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000020442776 568607804 /nfs/dbraw/zinc/60/78/04/568607804.db2.gz RFPCNQJIUZMCDW-UHFFFAOYSA-N 0 0 421.491 4.582 50 0 HJAARN COc1ccc(C(=O)Nc2cccc(CNc3ccc(-c4nnco4)cc3)c2)cc1 ZINC000095428678 568608279 /nfs/dbraw/zinc/60/82/79/568608279.db2.gz XIMHCCLLZRENCB-UHFFFAOYSA-N 0 0 400.438 4.610 50 0 HJAARN FC(F)(F)c1nnc2ccc(NCCc3csc(-c4ccccc4Cl)n3)nn21 ZINC000095442241 568611123 /nfs/dbraw/zinc/61/11/23/568611123.db2.gz DGUGLSVBEOGSBY-UHFFFAOYSA-N 0 0 424.839 4.575 50 0 HJAARN Clc1ccc(Br)c2ccc(N3CCO[C@@H](c4nccs4)C3)nc12 ZINC000095462960 568621673 /nfs/dbraw/zinc/62/16/73/568621673.db2.gz ZLKJWYWCEJQHSG-CYBMUJFWSA-N 0 0 410.724 4.685 50 0 HJAARN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000095465106 568622969 /nfs/dbraw/zinc/62/29/69/568622969.db2.gz PXQFFAPLSDZAFK-CVEARBPZSA-N 0 0 411.889 4.535 50 0 HJAARN COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1NC(=O)[C@@H](C)c1ccccc1 ZINC000095470995 568626274 /nfs/dbraw/zinc/62/62/74/568626274.db2.gz NGYCXMLMLFCACX-KRWDZBQOSA-N 0 0 424.522 4.547 50 0 HJAARN CC(C)C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1Cc2ccccc2C1=O ZINC000020531388 568627008 /nfs/dbraw/zinc/62/70/08/568627008.db2.gz SJTQSVWJQPIUHD-GOSISDBHSA-N 0 0 406.404 4.594 50 0 HJAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC000020531069 568627095 /nfs/dbraw/zinc/62/70/95/568627095.db2.gz JPMWEMPPSAUDEH-QFIPXVFZSA-N 0 0 420.896 4.993 50 0 HJAARN C[C@H](C(=O)NCCc1c[nH]c2ccc(F)cc12)c1ccc(C[C@H]2CCCC2=O)cc1 ZINC000095472212 568627491 /nfs/dbraw/zinc/62/74/91/568627491.db2.gz KXACXPSPZJFNSK-QFBILLFUSA-N 0 0 406.501 4.681 50 0 HJAARN O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)N1CCO[C@H](c2ccccc2)C1 ZINC000095473897 568629091 /nfs/dbraw/zinc/62/90/91/568629091.db2.gz LNWAFMUNPQEDPZ-GGAORHGYSA-N 0 0 408.929 4.916 50 0 HJAARN C[C@H](C(=O)Nc1nc(-c2cccnc2)cs1)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC000095476390 568630507 /nfs/dbraw/zinc/63/05/07/568630507.db2.gz CUIGGZNWFHRQSI-YJBOKZPZSA-N 0 0 405.523 4.859 50 0 HJAARN Cc1ccc2c(c1)oc(=O)cc2-c1cc2c(o1)c(C)ncc2CN1CCSCC1 ZINC000095478942 568631910 /nfs/dbraw/zinc/63/19/10/568631910.db2.gz BIAQQTUHHIKDFX-UHFFFAOYSA-N 0 0 406.507 4.767 50 0 HJAARN COc1cccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)c1OC ZINC000095480669 568633314 /nfs/dbraw/zinc/63/33/14/568633314.db2.gz OOYQKAXJFIUUGH-ACJLOTCBSA-N 0 0 417.531 4.622 50 0 HJAARN CC(C)C[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2ON1c1ccccc1 ZINC000095483638 568635096 /nfs/dbraw/zinc/63/50/96/568635096.db2.gz FNBXZQRPOLLYGF-QRVBRYPASA-N 0 0 419.308 4.718 50 0 HJAARN Cc1sc(NC(=O)CCNC(=O)c2cccs2)nc1-c1ccc(Cl)cc1 ZINC000020670824 568639592 /nfs/dbraw/zinc/63/95/92/568639592.db2.gz SEEBTBADKWSASC-UHFFFAOYSA-N 0 0 405.932 4.592 50 0 HJAARN Cc1cccc(/C=C2/Oc3ccccc3N(CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)C2=O)c1 ZINC000020735453 568641072 /nfs/dbraw/zinc/64/10/72/568641072.db2.gz BVLIAGSYENUHLE-TYIONXCASA-N 0 0 418.537 4.702 50 0 HJAARN O=C(NCc1cccnc1)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)S2 ZINC000020735090 568641249 /nfs/dbraw/zinc/64/12/49/568641249.db2.gz QFUUBSXDRNWXSZ-RGVLZGJSSA-N 0 0 421.909 4.750 50 0 HJAARN O=C(CCc1cn(Cc2ccccc2Cl)c2ccccc12)NCc1cccnc1 ZINC000020921322 568651034 /nfs/dbraw/zinc/65/10/34/568651034.db2.gz TZSRNRCHSNUWBT-UHFFFAOYSA-N 0 0 403.913 4.987 50 0 HJAARN CC(=O)Oc1cc(C(C)(C)C)cc2cc(-c3nc(-c4ccccc4)no3)c(=O)oc21 ZINC000020923743 568651076 /nfs/dbraw/zinc/65/10/76/568651076.db2.gz YYAVPOLTWFLVRA-UHFFFAOYSA-N 0 0 404.422 4.733 50 0 HJAARN Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)NCCCc3ccccc3)c12 ZINC000020943367 568653148 /nfs/dbraw/zinc/65/31/48/568653148.db2.gz MBVTWFXZFQKEGC-UHFFFAOYSA-N 0 0 410.521 4.969 50 0 HJAARN CCN(Cc1ccccc1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000020977840 568653950 /nfs/dbraw/zinc/65/39/50/568653950.db2.gz GZZPVOKIXKZQON-UHFFFAOYSA-N 0 0 416.446 4.633 50 0 HJAARN COc1ccc(NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C(C)C)cc1OC ZINC000020978863 568654141 /nfs/dbraw/zinc/65/41/41/568654141.db2.gz VJOZOFZAGVLJSZ-UHFFFAOYSA-N 0 0 416.499 4.591 50 0 HJAARN Cc1nn2c(ncc(C(=O)NCc3ccccc3Cl)c2C)c1-c1cccc(C)c1 ZINC000020987771 568655343 /nfs/dbraw/zinc/65/53/43/568655343.db2.gz JIIFLPWUZZBEJG-UHFFFAOYSA-N 0 0 404.901 4.905 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1C ZINC000020987803 568655390 /nfs/dbraw/zinc/65/53/90/568655390.db2.gz JMULNNOQPYCDIJ-UHFFFAOYSA-N 0 0 406.873 4.927 50 0 HJAARN C[C@@H](NC(=O)c1ccc(N2CCOc3ccccc32)s1)c1ccc2c(c1)OCCO2 ZINC000020992040 568656098 /nfs/dbraw/zinc/65/60/98/568656098.db2.gz VNZRSLYSBMKTGB-OAHLLOKOSA-N 0 0 422.506 4.541 50 0 HJAARN COc1ccc2ncc3c(-c4ccccc4)nn(CC(=O)Nc4ccccc4)c3c2c1 ZINC000020996389 568656995 /nfs/dbraw/zinc/65/69/95/568656995.db2.gz JZKNQRSXYNNEAC-UHFFFAOYSA-N 0 0 408.461 4.899 50 0 HJAARN COc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cccc(Br)c2)cc1 ZINC000021106652 568667298 /nfs/dbraw/zinc/66/72/98/568667298.db2.gz BQXHANBHTPMLTR-LJQANCHMSA-N 0 0 410.271 4.624 50 0 HJAARN Cc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccccc2)c(Br)c1 ZINC000021107420 568667539 /nfs/dbraw/zinc/66/75/39/568667539.db2.gz LJDYICMHHIPKBI-HXUWFJFHSA-N 0 0 408.299 4.919 50 0 HJAARN Cc1c(C(=O)NCc2cccc(Cl)c2)sc2ncnc(N3CCCCCC3)c12 ZINC000021115925 568668729 /nfs/dbraw/zinc/66/87/29/568668729.db2.gz YHSQKTAUWSJSRO-UHFFFAOYSA-N 0 0 414.962 4.964 50 0 HJAARN Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)NC2CCCC2)CC1 ZINC000021160114 568674496 /nfs/dbraw/zinc/67/44/96/568674496.db2.gz CKWVXQZNRAKONI-UHFFFAOYSA-N 0 0 416.569 4.668 50 0 HJAARN CCOCCC1(CNC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)CCCC1 ZINC000095993262 568678061 /nfs/dbraw/zinc/67/80/61/568678061.db2.gz KBXHTJWOJXKONS-FQEVSTJZSA-N 0 0 401.595 4.596 50 0 HJAARN O=C(COC(=O)c1cc(O)ccc1C(F)(F)F)Nc1c(Cl)cccc1Cl ZINC000225840914 568679614 /nfs/dbraw/zinc/67/96/14/568679614.db2.gz RLCRANJBLFLJBO-UHFFFAOYSA-N 0 0 408.159 4.513 50 0 HJAARN Cc1nc([C@H]2CCCCCN2C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)no1 ZINC000096001123 568681129 /nfs/dbraw/zinc/68/11/29/568681129.db2.gz GCXSRBXZSFKMSX-GOSISDBHSA-N 0 0 421.526 4.844 50 0 HJAARN CC(C)C(=O)Nc1nc2ccc(CCC(=O)NCc3ccc(Cl)cc3)cc2s1 ZINC000021353116 568687724 /nfs/dbraw/zinc/68/77/24/568687724.db2.gz AXCTVYQSHCMHTI-UHFFFAOYSA-N 0 0 415.946 4.793 50 0 HJAARN COc1ccc(Cl)cc1-c1nnc2sc(-c3ccc(Br)cc3)nn21 ZINC000012389489 568691555 /nfs/dbraw/zinc/69/15/55/568691555.db2.gz DAWMGRUYLFZLHV-UHFFFAOYSA-N 0 0 421.707 4.944 50 0 HJAARN O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2 ZINC000096103582 568691961 /nfs/dbraw/zinc/69/19/61/568691961.db2.gz ZRBFDMLQWWQPDQ-UHFFFAOYSA-N 0 0 402.416 4.576 50 0 HJAARN COc1c2c(c(C)c(OC)c1C/C=C(\C)CCC(=O)Nc1ccccc1)COC2=O ZINC000096114118 568693587 /nfs/dbraw/zinc/69/35/87/568693587.db2.gz USLGTXDLGDPONV-XNTDXEJSSA-N 0 0 409.482 4.590 50 0 biogenic HJAARN COc1ccc(C(=O)Nc2ccc(C(=O)c3cc4ccccc4o3)cc2)cc1OC ZINC000012390754 568695099 /nfs/dbraw/zinc/69/50/99/568695099.db2.gz IQSODIJHOHGJBB-UHFFFAOYSA-N 0 0 401.418 4.933 50 0 HJAARN COc1ccccc1NC(=O)Cc1cnc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC000012390902 568695110 /nfs/dbraw/zinc/69/51/10/568695110.db2.gz XPMPTGFZLZHXNV-UHFFFAOYSA-N 0 0 408.401 4.899 50 0 HJAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccc3ncccc3c2)S1 ZINC000096117644 568697147 /nfs/dbraw/zinc/69/71/47/568697147.db2.gz FFMCXYCVKICOCE-VQIMIIECSA-N 0 0 408.527 4.741 50 0 HJAARN CSc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)cc1 ZINC000096117739 568697309 /nfs/dbraw/zinc/69/73/09/568697309.db2.gz ICPMPYFLXGEICV-PBHICJAKSA-N 0 0 403.573 4.915 50 0 HJAARN CO[C@H]1CCCN(c2ccc(NC(=O)CCc3ccc(Br)cc3)cc2)C1 ZINC000096122455 568700252 /nfs/dbraw/zinc/70/02/52/568700252.db2.gz NDLAPMDWIOFHFV-FQEVSTJZSA-N 0 0 417.347 4.636 50 0 HJAARN COc1cccc(C2=N/C(=C\c3sc(Oc4ccccc4)nc3Cl)C(=O)O2)c1 ZINC000096133920 568701783 /nfs/dbraw/zinc/70/17/83/568701783.db2.gz VALWWWOVVYKFRJ-PTNGSMBKSA-N 0 0 412.854 4.942 50 0 HJAARN Cc1csc(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)n1 ZINC000021482901 568704108 /nfs/dbraw/zinc/70/41/08/568704108.db2.gz SUTAGPVTUCJUEZ-UHFFFAOYSA-N 0 0 422.941 4.817 50 0 HJAARN CC(C)c1sc(Cl)nc1C(=O)N1CCC(c2nc3ccccc3n2C)CC1 ZINC000096231565 568707389 /nfs/dbraw/zinc/70/73/89/568707389.db2.gz HNJREAXBVMYOMQ-UHFFFAOYSA-N 0 0 402.951 4.826 50 0 HJAARN CCOc1ccc(-c2nn(CC(=O)NC3CCCC3)c3c2cnc2ccccc32)cc1 ZINC000021541065 568713772 /nfs/dbraw/zinc/71/37/72/568713772.db2.gz BLOKAHHZRJLRQC-UHFFFAOYSA-N 0 0 414.509 4.709 50 0 HJAARN CCn1c(C(=O)NCc2ccco2)cc2cc(NC(=O)CCc3ccccc3)ccc21 ZINC000096275447 568714472 /nfs/dbraw/zinc/71/44/72/568714472.db2.gz FXCPFZVQOALGJI-UHFFFAOYSA-N 0 0 415.493 4.756 50 0 HJAARN CC[C@H](C)[C@@H](NC(=O)COCc1ccccc1)c1nc(-c2cccc(Cl)c2)no1 ZINC000096276148 568715172 /nfs/dbraw/zinc/71/51/72/568715172.db2.gz VFLSQFSOYWHDLQ-MGPUTAFESA-N 0 0 413.905 4.810 50 0 HJAARN C[C@H](NC(=O)c1ccccc1Cl)c1nc(-c2ccc(Br)cc2)no1 ZINC000096277818 568716352 /nfs/dbraw/zinc/71/63/52/568716352.db2.gz BJEUWASLTJEQQH-JTQLQIEISA-N 0 0 406.667 4.644 50 0 HJAARN COc1nc(-c2ccc(C)cc2)n(-c2ccc(NC(=O)c3ccc(F)c(C)c3)cc2)n1 ZINC000096278444 568716718 /nfs/dbraw/zinc/71/67/18/568716718.db2.gz YDIRWBKFJLLAKC-UHFFFAOYSA-N 0 0 416.456 4.951 50 0 HJAARN COc1ccc(C(=O)N(CCc2nc(-c3ccccc3)no2)Cc2ccccc2)cc1 ZINC000096278713 568716974 /nfs/dbraw/zinc/71/69/74/568716974.db2.gz OXQPHDLOMTWNCG-UHFFFAOYSA-N 0 0 413.477 4.630 50 0 HJAARN Cc1cc(C)cc(N2C[C@@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2=O)c1 ZINC000012414360 568717022 /nfs/dbraw/zinc/71/70/22/568717022.db2.gz LHGUSGGYCMGXCW-HNNXBMFYSA-N 0 0 401.388 4.893 50 0 HJAARN O=C1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)CN1c1cccc(Cl)c1 ZINC000012416199 568717680 /nfs/dbraw/zinc/71/76/80/568717680.db2.gz CWITZEXKUTXURB-GFCCVEGCSA-N 0 0 407.779 4.929 50 0 HJAARN Cc1ccc(N2C[C@@H](c3nc(-c4ccc(C(F)(F)F)cc4)no3)CC2=O)c(C)c1 ZINC000012416007 568717879 /nfs/dbraw/zinc/71/78/79/568717879.db2.gz IMJWWSBTDYCZPT-HNNXBMFYSA-N 0 0 401.388 4.893 50 0 HJAARN O=C(NCc1ccc(F)cc1)c1cc2sc(Br)cc2n1CC1CC1 ZINC000096280386 568717881 /nfs/dbraw/zinc/71/78/81/568717881.db2.gz ZRTWAGZIQXKBIZ-UHFFFAOYSA-N 0 0 407.308 4.944 50 0 HJAARN COc1ccc(-c2noc(CCN(C(=O)c3cccs3)C3CCCCC3)n2)cc1 ZINC000096291909 568720832 /nfs/dbraw/zinc/72/08/32/568720832.db2.gz UTAMFLLPMPFABP-UHFFFAOYSA-N 0 0 411.527 4.824 50 0 HJAARN COc1ccc(-c2noc(CCN(C(=O)CC(C)C)[C@H](C)c3ccccc3)n2)cc1 ZINC000096293108 568721426 /nfs/dbraw/zinc/72/14/26/568721426.db2.gz ZZUDZKZQVWNLFD-GOSISDBHSA-N 0 0 407.514 4.924 50 0 HJAARN CC[C@H](C)[C@@H](NC(=O)c1ccc(C)cc1)c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000096293155 568721494 /nfs/dbraw/zinc/72/14/94/568721494.db2.gz DNWOXCTWCJTPLO-MGPUTAFESA-N 0 0 409.486 4.579 50 0 HJAARN COc1ccc(-c2noc(CCN(C(=O)CC(C)C)C3CCCCC3)n2)cc1OC ZINC000096293157 568721633 /nfs/dbraw/zinc/72/16/33/568721633.db2.gz DNAUYXXGYKFJMW-UHFFFAOYSA-N 0 0 415.534 4.504 50 0 HJAARN CCC1=NS(=O)(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2N1c1ccccc1 ZINC000096293442 568721784 /nfs/dbraw/zinc/72/17/84/568721784.db2.gz QTBLJLQNPZCBMD-UHFFFAOYSA-N 0 0 423.469 4.727 50 0 HJAARN O=C(NCc1ccccc1)c1cnn2c1N[C@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F ZINC000000866027 568723398 /nfs/dbraw/zinc/72/33/98/568723398.db2.gz XIWGMBNNSMJNOY-ROUUACIJSA-N 0 0 418.394 4.613 50 0 HJAARN O=C(CCCn1nc(-c2ccc(F)cc2)ccc1=O)Nc1ccc(Cl)c(Cl)c1 ZINC000012440972 568723810 /nfs/dbraw/zinc/72/38/10/568723810.db2.gz YHNHTURGAGYVFG-UHFFFAOYSA-N 0 0 420.271 4.775 50 0 HJAARN Cc1ccsc1CN(CC(C)C)C(=O)c1cnn2c1nc(C)cc2C(F)(F)F ZINC000426641485 568724199 /nfs/dbraw/zinc/72/41/99/568724199.db2.gz IDZKEDSWLUCDLU-UHFFFAOYSA-N 0 0 410.465 4.725 50 0 HJAARN CCNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)CC2CCCC2)s1 ZINC000012442962 568724894 /nfs/dbraw/zinc/72/48/94/568724894.db2.gz BAXYRKRLDPQRHW-UHFFFAOYSA-N 0 0 403.573 4.557 50 0 HJAARN Cc1cc(C)c(NC(=O)COc2cc(C(C)(C)C)nn2-c2nc(C)cc(C)n2)c(C)c1 ZINC000012443788 568725117 /nfs/dbraw/zinc/72/51/17/568725117.db2.gz LSLYBXUBVDGWCW-UHFFFAOYSA-N 0 0 421.545 4.519 50 0 HJAARN Cc1ccc(NC(=O)Cc2csc(SCC(=O)c3ccc(F)cc3)n2)cc1F ZINC000012444191 568725433 /nfs/dbraw/zinc/72/54/33/568725433.db2.gz IYIQAIRJQCBQBO-UHFFFAOYSA-N 0 0 418.490 4.886 50 0 HJAARN O=C(COc1ccc(Br)cc1F)N(Cc1ccco1)Cc1cccs1 ZINC000014999364 568726668 /nfs/dbraw/zinc/72/66/68/568726668.db2.gz LBGKAMMSEYODJQ-UHFFFAOYSA-N 0 0 424.291 4.851 50 0 HJAARN COCCn1c(-c2ccc(OC)cc2)cnc1NC(=O)Nc1ccc(C)c(Cl)c1 ZINC000021648804 568728726 /nfs/dbraw/zinc/72/87/26/568728726.db2.gz UFPLHZMIPFUJIH-UHFFFAOYSA-N 0 0 414.893 4.811 50 0 HJAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cccc(Cl)c2)cc1OC ZINC000239402705 568729232 /nfs/dbraw/zinc/72/92/32/568729232.db2.gz RBUYCPVXWCPLLM-YKSBVNFPSA-N 0 0 420.896 5.600 50 0 HJAARN COc1cc(NC(=O)C[C@@H]2COc3ccccc3N2Cc2ccccc2)cc(OC)c1 ZINC000096322971 568731146 /nfs/dbraw/zinc/73/11/46/568731146.db2.gz ZDPBXLYZRWGYQB-HXUWFJFHSA-N 0 0 418.493 4.500 50 0 HJAARN O=C(CCC1CCCC1)Nc1nnc(SCc2nnc(-c3ccccc3)o2)s1 ZINC000021654834 568731194 /nfs/dbraw/zinc/73/11/94/568731194.db2.gz GEZPOUOJWPFYNZ-UHFFFAOYSA-N 0 0 415.544 4.789 50 0 HJAARN COc1ccccc1NC(=O)C[C@H]1COc2cc(C)ccc2N1Cc1ccc(F)cc1 ZINC000096323019 568731250 /nfs/dbraw/zinc/73/12/50/568731250.db2.gz NXWIRXRYZKFUBQ-FQEVSTJZSA-N 0 0 420.484 4.939 50 0 HJAARN Cc1ccc(CN2c3ccc(F)cc3OC[C@@H]2CC(=O)NCc2ccccc2)cc1 ZINC000096323075 568731399 /nfs/dbraw/zinc/73/13/99/568731399.db2.gz IWBSIHVZKBCFCL-QFIPXVFZSA-N 0 0 404.485 4.608 50 0 HJAARN CCc1ccc(NC(=O)N2CCc3c(sc4nc(-c5ccccc5)nn43)C2)cc1 ZINC000096323884 568732894 /nfs/dbraw/zinc/73/28/94/568732894.db2.gz AUDCCGPDUHIQTO-UHFFFAOYSA-N 0 0 403.511 4.610 50 0 HJAARN CCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@@H]1[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000005791943 568733738 /nfs/dbraw/zinc/73/37/38/568733738.db2.gz QMWIFRGRMGOLIY-YUXIIYTGSA-N 0 0 400.559 4.998 50 0 HJAARN O=c1c2ccccc2c(-c2nc(-c3ccncc3)no2)cn1-c1cccc(Cl)c1 ZINC000096324415 568733990 /nfs/dbraw/zinc/73/39/90/568733990.db2.gz IMHSEWZZOMLFQX-UHFFFAOYSA-N 0 0 400.825 4.756 50 0 HJAARN C[C@@H]1C[C@@H](C)C[C@H](C)N1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 ZINC000244899511 568735640 /nfs/dbraw/zinc/73/56/40/568735640.db2.gz ZKWJNGGHUBLVSR-MPZWGZMNSA-N 0 0 410.440 4.786 50 0 HJAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccccc4C)nc3n2)cc1 ZINC000021660526 568735590 /nfs/dbraw/zinc/73/55/90/568735590.db2.gz NHIHJLFILVYHEE-UHFFFAOYSA-N 0 0 411.387 4.679 50 0 HJAARN Cc1nn(-c2nc3ccccc3[nH]2)c2c1[C@@H](c1cccc(C(F)(F)F)c1)CC(=O)N2 ZINC000021660767 568735656 /nfs/dbraw/zinc/73/56/56/568735656.db2.gz IKUIZDRUPPDMKL-CQSZACIVSA-N 0 0 411.387 4.550 50 0 HJAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NC4CCCCCC4)nc3n2)cc1 ZINC000021660507 568735681 /nfs/dbraw/zinc/73/56/81/568735681.db2.gz WICNFDJWBSYQLD-UHFFFAOYSA-N 0 0 417.435 4.571 50 0 HJAARN Cc1nn(-c2nc3ccccc3[nH]2)c2c1[C@H](c1cccc(C(F)(F)F)c1)CC(=O)N2 ZINC000021660765 568735694 /nfs/dbraw/zinc/73/56/94/568735694.db2.gz 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CC[C@H](C(=O)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1)c1ccccc1 ZINC000021688442 568739700 /nfs/dbraw/zinc/73/97/00/568739700.db2.gz CGEFMPLLNOYCKG-NRFANRHFSA-N 0 0 405.567 4.648 50 0 HJAARN Cc1cccc(-n2c(=O)c3ccc[nH]c-3c2CC(=O)NCc2ccc(F)cc2Cl)c1 ZINC000096387039 568743886 /nfs/dbraw/zinc/74/38/86/568743886.db2.gz DSLLIRZTDOMIEW-FQEVSTJZSA-N 0 0 423.875 4.591 50 0 HJAARN Cc1oc2ccn(Cc3ccccc3F)c(=O)c2c1C(=O)N[C@@H](C)c1cccs1 ZINC000096396561 568745061 /nfs/dbraw/zinc/74/50/61/568745061.db2.gz SCCYVZUMMVCPAD-ZDUSSCGKSA-N 0 0 410.470 4.643 50 0 HJAARN CCn1c(-c2cc(NC(=O)CCc3ccc(OC)cc3)n[nH]2)cc2cc(OC)ccc21 ZINC000096398581 568747287 /nfs/dbraw/zinc/74/72/87/568747287.db2.gz XECAHYGWNZECEY-UHFFFAOYSA-N 0 0 418.497 4.640 50 0 HJAARN CCn1c2ccccc2c(C)c1-c1cc(NC(=O)c2ccc(OC)c(OC)c2)n[nH]1 ZINC000096398620 568747296 /nfs/dbraw/zinc/74/72/96/568747296.db2.gz IWVKPCWWYRTEGE-UHFFFAOYSA-N 0 0 404.470 4.629 50 0 HJAARN CCCS(=O)(=O)c1nc2ccc(NC(=O)Nc3c(C)cccc3C)cc2s1 ZINC000096399670 568748831 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O=C1C(Nc2cccc(F)c2)=C(Sc2ccccc2)C(=O)N1Cc1ccccc1 ZINC000000938232 568752212 /nfs/dbraw/zinc/75/22/12/568752212.db2.gz GANJBIMWANHMKO-UHFFFAOYSA-N 0 0 404.466 4.811 50 0 HJAARN O=C(/C=C\c1ccccc1)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000096446196 568752783 /nfs/dbraw/zinc/75/27/83/568752783.db2.gz QRMFLHPRENYMSS-ZROIWOOFSA-N 0 0 412.898 4.793 50 0 HJAARN O=C(CSc1ncnc2sc(-c3ccccc3)cc21)Nc1ccc2c(c1)OCO2 ZINC000000948787 568754909 /nfs/dbraw/zinc/75/49/09/568754909.db2.gz KHWFVEXUHFTDBB-UHFFFAOYSA-N 0 0 421.503 4.818 50 0 HJAARN CC1=Nc2ncnn2[C@H](c2ccc(Cl)cc2Cl)C1C(=O)OCc1ccccc1 ZINC000000949723 568755425 /nfs/dbraw/zinc/75/54/25/568755425.db2.gz USFJHLJNWJYQJZ-GOSISDBHSA-N 0 0 415.280 4.617 50 0 HJAARN COc1ccc(-c2noc(-c3ccc(NC(=O)COc4ccccc4C)cc3)n2)cc1 ZINC000086062509 568755603 /nfs/dbraw/zinc/75/56/03/568755603.db2.gz TWEDTVSJZXSXBM-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN CCCCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021864421 568755670 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COc1cc(/C=C2/N=C(c3ccccc3F)OC2=O)ccc1OCc1cccc(F)c1 ZINC000000997246 568760940 /nfs/dbraw/zinc/76/09/40/568760940.db2.gz QCJFZHUHQVPNBT-UDWIEESQSA-N 0 0 421.399 4.897 50 0 HJAARN COc1ccc(/C=C2/N=C(c3cccs3)OC2=O)cc1OCc1ccccc1F ZINC000000997260 568760995 /nfs/dbraw/zinc/76/09/95/568760995.db2.gz JCEMTZYGONSJLU-GZTJUZNOSA-N 0 0 409.438 4.819 50 0 HJAARN COc1cc(/C=C2/N=C(c3ccccc3F)OC2=O)ccc1OCc1ccc(F)cc1 ZINC000000997380 568761070 /nfs/dbraw/zinc/76/10/70/568761070.db2.gz ROWXIKPEJFTINC-UDWIEESQSA-N 0 0 421.399 4.897 50 0 HJAARN COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000992577 568761710 /nfs/dbraw/zinc/76/17/10/568761710.db2.gz BZEHCMNRKJUNKI-RCCKNPSSSA-N 0 0 406.869 4.758 50 0 HJAARN O=C(NCc1cccc(Br)c1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021935372 568762056 /nfs/dbraw/zinc/76/20/56/568762056.db2.gz KDPOGFCEUOJKCH-UHFFFAOYSA-N 0 0 418.294 4.989 50 0 HJAARN CCC[C@@H]1N=C2c3ccccc3N=C(S[C@@H](C)C(=O)Nc3cccc(C)c3)N2C1=O ZINC000021936330 568762313 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O=C(NCCCc1ccccc1)c1cnn(-c2ccccc2Cl)c1-n1cccc1 ZINC000022575840 568769952 /nfs/dbraw/zinc/76/99/52/568769952.db2.gz DASWCLFEHGFTBV-UHFFFAOYSA-N 0 0 404.901 4.679 50 0 HJAARN CCOC(=O)c1c2c(sc1NC(=O)c1ccc(Br)o1)C[C@H](C)CC2 ZINC000001102683 568771739 /nfs/dbraw/zinc/77/17/39/568771739.db2.gz DWUBPYHLAKAGSW-SECBINFHSA-N 0 0 412.305 4.657 50 0 HJAARN CC(=O)c1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)c1 ZINC000001105122 568771919 /nfs/dbraw/zinc/77/19/19/568771919.db2.gz HUEYLWGTHQVEAF-QHCPKHFHSA-N 0 0 420.490 4.509 50 0 HJAARN Cc1cc(C(F)(F)F)nn1Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)o1 ZINC000027935058 568773271 /nfs/dbraw/zinc/77/32/71/568773271.db2.gz IQWGWRSVDOHPHK-QGZVFWFLSA-N 0 0 403.404 4.659 50 0 HJAARN Cc1cc(C(F)(F)F)nn1Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)o1 ZINC000027935064 568773283 /nfs/dbraw/zinc/77/32/83/568773283.db2.gz IQWGWRSVDOHPHK-KRWDZBQOSA-N 0 0 403.404 4.659 50 0 HJAARN CCc1ccc(OCC(=O)Nc2ccc(I)cc2C(C)C)cc1 ZINC000001160871 568775617 /nfs/dbraw/zinc/77/56/17/568775617.db2.gz 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568786317 /nfs/dbraw/zinc/78/63/17/568786317.db2.gz BDOVRKUJKAHILT-UHFFFAOYSA-N 0 0 422.554 4.859 50 0 HJAARN O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccc[nH]1 ZINC000002623224 568788382 /nfs/dbraw/zinc/78/83/82/568788382.db2.gz MDEDGJPJOQRTML-UHFFFAOYSA-N 0 0 421.547 4.629 50 0 HJAARN COCCn1c2ccccc2nc1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000002623774 568788644 /nfs/dbraw/zinc/78/86/44/568788644.db2.gz FMWVZVCIDUHOGX-UHFFFAOYSA-N 0 0 410.326 4.720 50 0 HJAARN COc1ccc(C)cc1-n1nnnc1SCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000002628539 568790016 /nfs/dbraw/zinc/79/00/16/568790016.db2.gz JJGSLGDSJALFTO-UHFFFAOYSA-N 0 0 416.506 4.621 50 0 HJAARN CCCOc1c(Br)cc(C(=O)NCc2cccc(Cl)c2)cc1OC ZINC000002630201 568790465 /nfs/dbraw/zinc/79/04/65/568790465.db2.gz XPIYGTXNOQZDFB-UHFFFAOYSA-N 0 0 412.711 4.830 50 0 HJAARN CCCCc1ccc2nc(NC(=O)c3nn(CC)c(=O)c4ccccc43)sc2c1 ZINC000002630808 568790768 /nfs/dbraw/zinc/79/07/68/568790768.db2.gz MAJQYAQHRKUIHV-UHFFFAOYSA-N 0 0 406.511 4.621 50 0 HJAARN 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Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2cccc(C)c2C)cc1 ZINC000003219424 568863131 /nfs/dbraw/zinc/86/31/31/568863131.db2.gz PAZOFHCSNRBLBH-UHFFFAOYSA-N 0 0 401.462 4.638 50 0 HJAARN O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1ccc2c(c1)[C@@H]1CCCCC[C@H]1N2 ZINC000057841206 568863288 /nfs/dbraw/zinc/86/32/88/568863288.db2.gz QLELVRFKHQWRAB-FXAWDEMLSA-N 0 0 416.525 4.726 50 0 HJAARN O=C(CSc1cccc[n+]1[O-])Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000003222841 568863697 /nfs/dbraw/zinc/86/36/97/568863697.db2.gz FGDUEMNULYDIIY-UHFFFAOYSA-N 0 0 402.928 4.855 50 0 HJAARN Cc1cc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)n(-c2ccccc2)n1 ZINC000003226312 568864026 /nfs/dbraw/zinc/86/40/26/568864026.db2.gz ZIMVWBHSXNRJJJ-UHFFFAOYSA-N 0 0 401.466 4.823 50 0 HJAARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(C(C)(C)C)cc2)N2C(=O)[C@@H](C)SC2=N1 ZINC000003636573 568865036 /nfs/dbraw/zinc/86/50/36/568865036.db2.gz NUQVMKHNYPFRHH-DNVCBOLYSA-N 0 0 414.571 4.832 50 0 HJAARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(C(C)C)cc2)N2C(=O)[C@H](C)SC2=N1 ZINC000003636561 568865130 /nfs/dbraw/zinc/86/51/30/568865130.db2.gz GQWPDVZXUMZGNF-KXBFYZLASA-N 0 0 400.544 4.658 50 0 HJAARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2Cl)N2C(=O)CCSC2=N1 ZINC000003640213 568865368 /nfs/dbraw/zinc/86/53/68/568865368.db2.gz YBLGQGDGLYHSJZ-MRXNPFEDSA-N 0 0 413.326 4.595 50 0 HJAARN CC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2)nc1C ZINC000003643169 568865819 /nfs/dbraw/zinc/86/58/19/568865819.db2.gz YCSCOYMJJFAKMA-SFHVURJKSA-N 0 0 416.458 4.510 50 0 HJAARN COc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2C)cc1 ZINC000003240006 568866130 /nfs/dbraw/zinc/86/61/30/568866130.db2.gz YZCFPIQMJWSCPG-UHFFFAOYSA-N 0 0 416.506 4.621 50 0 HJAARN O=C(Nc1c2ccccc2oc1C(=O)c1ccc(F)cc1)[C@H]1COc2ccccc2O1 ZINC000003655334 568866508 /nfs/dbraw/zinc/86/65/08/568866508.db2.gz WYSPZLUCQDTWRT-HXUWFJFHSA-N 0 0 417.392 4.581 50 0 HJAARN O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000030479078 568867206 /nfs/dbraw/zinc/86/72/06/568867206.db2.gz PHMXKIQNZDZLHN-UHFFFAOYSA-N 0 0 416.452 4.545 50 0 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/nfs/dbraw/zinc/87/94/58/568879458.db2.gz QVAYAMCXRXNYNH-UHFFFAOYSA-N 0 0 402.903 4.763 50 0 HJAARN O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)N1CCCCCC1 ZINC000003317183 568879524 /nfs/dbraw/zinc/87/95/24/568879524.db2.gz YTGZADPSDOYGNV-UHFFFAOYSA-N 0 0 418.632 4.930 50 0 HJAARN CN(Cc1ccccc1)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C ZINC000003317809 568879558 /nfs/dbraw/zinc/87/95/58/568879558.db2.gz VDXIPZICOWEHML-UHFFFAOYSA-N 0 0 408.571 4.530 50 0 HJAARN COc1ccc(O)c(C(=O)c2cnc3c(c2)c(C(C)(C)C)nn3-c2ccccc2)c1 ZINC000003324777 568880975 /nfs/dbraw/zinc/88/09/75/568880975.db2.gz WSYFLBLWLXZEDB-UHFFFAOYSA-N 0 0 401.466 4.663 50 0 HJAARN CCCSc1nnc(CNC(=O)c2c(F)cccc2Cl)n1-c1cccc(C)c1 ZINC000004059352 568881079 /nfs/dbraw/zinc/88/10/79/568881079.db2.gz FFVKMRVKRYAIMB-UHFFFAOYSA-N 0 0 418.925 4.800 50 0 HJAARN C[C@@H](NC(=O)Nc1cccc(CN2CCCC2=O)c1)c1ccc(Cl)c(Cl)c1 ZINC000058057356 568881485 /nfs/dbraw/zinc/88/14/85/568881485.db2.gz HUQKQDCMUHFNCA-CYBMUJFWSA-N 0 0 406.313 4.999 50 0 HJAARN 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ZINC000058096127 568885566 /nfs/dbraw/zinc/88/55/66/568885566.db2.gz HJJYIOIAIOPWAH-UHFFFAOYSA-N 0 0 410.370 4.864 50 0 HJAARN Cc1ccc(C)c(OCc2nnc(SCC(=O)N[C@@H]3CCCc4ccccc43)o2)c1 ZINC000003354443 568886305 /nfs/dbraw/zinc/88/63/05/568886305.db2.gz KNFXICWUIOBSBC-LJQANCHMSA-N 0 0 423.538 4.551 50 0 HJAARN COc1cc(SC)ccc1C(=O)OCC(=O)Nc1ccccc1-c1ccccc1 ZINC000003360715 568887950 /nfs/dbraw/zinc/88/79/50/568887950.db2.gz PLCSUGFMWJUYJF-UHFFFAOYSA-N 0 0 407.491 4.880 50 0 HJAARN O=C(CSc1nn(-c2ccccc2)c(=S)s1)N[C@@H]1CCCc2ccccc21 ZINC000003365053 568888986 /nfs/dbraw/zinc/88/89/86/568888986.db2.gz AZMRKALMIGJPMQ-QGZVFWFLSA-N 0 0 413.593 4.949 50 0 HJAARN C[C@H](NC(=O)COC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1ccccc1 ZINC000003364999 568888999 /nfs/dbraw/zinc/88/89/99/568888999.db2.gz VQRLQPIJUHRWMH-QMMMGPOBSA-N 0 0 422.095 4.729 50 0 HJAARN O=c1c2ccccc2nc(SCc2nc3ccccc3s2)n1Cc1ccco1 ZINC000003372071 568890630 /nfs/dbraw/zinc/89/06/30/568890630.db2.gz ZPAWMCWHHWARRS-UHFFFAOYSA-N 0 0 405.504 4.940 50 0 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/nfs/dbraw/zinc/89/73/11/568897311.db2.gz LYQJRFJFWWUMPS-UHFFFAOYSA-N 0 0 415.474 4.756 50 0 HJAARN COc1ccc(CCNC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)cc1OC ZINC000058200817 568899289 /nfs/dbraw/zinc/89/92/89/568899289.db2.gz SWXLLKOAXPBDLW-FTRDYKAISA-N 0 0 419.565 4.901 50 0 HJAARN Cc1ccc(C)c(OCCOC(=O)c2ccccc2C(=O)N(C)C2CCCCC2)c1 ZINC000003420793 568899804 /nfs/dbraw/zinc/89/98/04/568899804.db2.gz LOXCWULVGZCVGQ-UHFFFAOYSA-N 0 0 409.526 4.944 50 0 HJAARN CN(CC(=O)Nc1ccccc1Cl)CC(=O)Nc1ccccc1-c1ccccc1 ZINC000003431340 568901840 /nfs/dbraw/zinc/90/18/40/568901840.db2.gz AGRZFOIWHGRURR-UHFFFAOYSA-N 0 0 407.901 4.516 50 0 HJAARN Cc1cc2nnc(S[C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)n2c2ccccc12 ZINC000003444899 568904286 /nfs/dbraw/zinc/90/42/86/568904286.db2.gz RGOACMJTIJJKRS-HUUCEWRRSA-N 0 0 408.502 4.688 50 0 HJAARN Cc1ccc(Cl)c(OCC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c1 ZINC000003448439 568904933 /nfs/dbraw/zinc/90/49/33/568904933.db2.gz GJDNYSGQVPEJJI-UHFFFAOYSA-N 0 0 410.905 4.651 50 0 HJAARN Cc1ccccc1Nc1nnc(SCC(=O)N[C@H](C)c2ccc(F)cc2)s1 ZINC000003465514 568907342 /nfs/dbraw/zinc/90/73/42/568907342.db2.gz LFAKYJBNGZKDKD-CYBMUJFWSA-N 0 0 402.520 4.699 50 0 HJAARN Cc1cccc(OCc2nnc(SCC(=O)c3ccc(Br)cc3)o2)c1 ZINC000012674749 568907370 /nfs/dbraw/zinc/90/73/70/568907370.db2.gz RQDDQFJTFZEMPY-UHFFFAOYSA-N 0 0 419.300 4.695 50 0 HJAARN CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@H](C(C)C)OC3 ZINC000001243983 568908487 /nfs/dbraw/zinc/90/84/87/568908487.db2.gz ORLKWTHIYPOXIW-MRXNPFEDSA-N 0 0 400.569 4.716 50 0 HJAARN CCOC(=O)c1c(NC(=O)Nc2ccc(OC)cc2)sc2c1C[C@@H](C(C)C)OC2 ZINC000001246522 568908605 /nfs/dbraw/zinc/90/86/05/568908605.db2.gz PBQBWKFGTYUJTE-INIZCTEOSA-N 0 0 418.515 4.675 50 0 HJAARN CCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)C[C@H](C(C)C)OC3 ZINC000001254199 568909048 /nfs/dbraw/zinc/90/90/48/568909048.db2.gz YESUBHYFPOQWQN-QGZVFWFLSA-N 0 0 414.596 4.910 50 0 HJAARN C[C@H]1CN(C(=O)/C=C/c2cccc(OCc3ccc(C(F)(F)F)cc3)c2)C[C@H](C)O1 ZINC000004105227 568909118 /nfs/dbraw/zinc/90/91/18/568909118.db2.gz HBJZHAOINFQRQE-BAMWUGHESA-N 0 0 419.443 4.933 50 0 HJAARN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1 ZINC000025680613 568909135 /nfs/dbraw/zinc/90/91/35/568909135.db2.gz XIMWIRMKTIHZAE-KOSHJBKYSA-N 0 0 418.537 4.652 50 0 HJAARN Cn1c(SCc2cnc(-c3ccccc3)s2)nnc1[C@@H]1COc2ccccc2O1 ZINC000003491244 568909300 /nfs/dbraw/zinc/90/93/00/568909300.db2.gz DPJAHZOGWFLFRF-SFHVURJKSA-N 0 0 422.535 4.743 50 0 HJAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2C)c(C)c1 ZINC000001263261 568909328 /nfs/dbraw/zinc/90/93/28/568909328.db2.gz JSQHDZHIEOPAIM-UHFFFAOYSA-N 0 0 416.506 4.942 50 0 HJAARN O=C(CSc1nnc2sc3ccccc3n12)N1CCC(Cc2ccccc2)CC1 ZINC000003495758 568909705 /nfs/dbraw/zinc/90/97/05/568909705.db2.gz BHRGLNKXNYQQSG-UHFFFAOYSA-N 0 0 422.579 4.517 50 0 HJAARN COc1ccc([C@@H]2Cn3cnc(-c4nc(-c5ccc(Cl)cc5)no4)c3CO2)cc1 ZINC000263617750 568911469 /nfs/dbraw/zinc/91/14/69/568911469.db2.gz PKWWEVOEXACIPD-SFHVURJKSA-N 0 0 408.845 4.534 50 0 HJAARN COc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccc(SC)cc5)no4)cc3CO2)cc1 ZINC000263617882 568911724 /nfs/dbraw/zinc/91/17/24/568911724.db2.gz QERVNRCLHCZCAS-FQEVSTJZSA-N 0 0 420.494 4.602 50 0 HJAARN FC(F)(F)c1ccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccccc3)OC4)n2)cc1 ZINC000263619409 568912354 /nfs/dbraw/zinc/91/23/54/568912354.db2.gz YOQDKZWCRJUINX-SFHVURJKSA-N 0 0 412.371 4.890 50 0 HJAARN COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1cccnc1SC)c1ccccc1 ZINC000003530037 568912781 /nfs/dbraw/zinc/91/27/81/568912781.db2.gz BQPQLQWWIDNGGU-FQEVSTJZSA-N 0 0 422.506 4.657 50 0 HJAARN CCC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1cc2ccc(OC)cc2nc1Cl ZINC000001295138 568912855 /nfs/dbraw/zinc/91/28/55/568912855.db2.gz ZMXFDDVFLRHVPL-NRFANRHFSA-N 0 0 423.900 4.993 50 0 HJAARN COc1ccc(CSc2nc3sc4c(c3c(N)n2)C[C@H](C(C)C)OC4)cc1 ZINC000001296575 568912974 /nfs/dbraw/zinc/91/29/74/568912974.db2.gz ZRXYGJPOLLOREZ-OAHLLOKOSA-N 0 0 401.557 4.672 50 0 HJAARN Cc1ccc(-n2cnnc2SCC(=O)Nc2cccc3cccnc32)cc1Cl ZINC000025754949 568913860 /nfs/dbraw/zinc/91/38/60/568913860.db2.gz BHCWYHCGBHWUMX-UHFFFAOYSA-N 0 0 409.902 4.508 50 0 HJAARN COc1ccc(-c2nnc(S[C@@H](C)C(=O)N3CCc4ccccc43)n2C(C)C)cc1 ZINC000003544865 568914134 /nfs/dbraw/zinc/91/41/34/568914134.db2.gz GLWNZLXLASNKQP-INIZCTEOSA-N 0 0 422.554 4.605 50 0 HJAARN CC(C)CCOC(=O)[C@H]1C(=O)Oc2ccc(Br)cc2[C@H]1c1ccccc1 ZINC000001322387 568914695 /nfs/dbraw/zinc/91/46/95/568914695.db2.gz SIEQNYRGGIAZML-MOPGFXCFSA-N 0 0 417.299 4.706 50 0 biogenic HJAARN CC(C)CCOC(=O)[C@@H]1C(=O)Oc2ccc(Br)cc2[C@H]1c1ccccc1 ZINC000001322386 568914703 /nfs/dbraw/zinc/91/47/03/568914703.db2.gz SIEQNYRGGIAZML-RTBURBONSA-N 0 0 417.299 4.706 50 0 biogenic HJAARN CCc1cc2c(cc1OC(=O)N(C)C)oc(C)c(-c1ccc3c(c1)OCCCO3)c2=O ZINC000001322646 568914757 /nfs/dbraw/zinc/91/47/57/568914757.db2.gz FYHHQGSFUSEEFV-UHFFFAOYSA-N 0 0 423.465 4.553 50 0 biogenic HJAARN O=C(Nc1cccc(C(=O)OCCOc2ccccc2Cl)c1)c1cccs1 ZINC000012693036 568915599 /nfs/dbraw/zinc/91/55/99/568915599.db2.gz ODFRICWILWFACZ-UHFFFAOYSA-N 0 0 401.871 4.890 50 0 HJAARN O=c1[nH]c(CN2CCCC[C@@H]2c2nc3ccccc3s2)nc2ccc(Cl)cc12 ZINC000012727495 568920923 /nfs/dbraw/zinc/92/09/23/568920923.db2.gz AELAXXYKULNQSK-QGZVFWFLSA-N 0 0 410.930 4.913 50 0 HJAARN COc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@H]2c2ccccc2F)c(OC)c1 ZINC000045942116 568921132 /nfs/dbraw/zinc/92/11/32/568921132.db2.gz YMQQJZVUMOFYLT-HSZRJFAPSA-N 0 0 419.452 4.896 50 0 HJAARN CC(C)(C)c1ccc(/C=C/C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1 ZINC000025824104 568921591 /nfs/dbraw/zinc/92/15/91/568921591.db2.gz UDUDTGKSLUOXFP-SDNWHVSQSA-N 0 0 404.554 4.552 50 0 HJAARN FC(F)(F)c1cnc(-n2c3ccccc3c3c2CCC2(C3)OCCO2)c(Cl)c1 ZINC000001381924 568921631 /nfs/dbraw/zinc/92/16/31/568921631.db2.gz BRZGXISBIOFLAV-UHFFFAOYSA-N 0 0 408.807 4.930 50 0 HJAARN O=S(=O)(N[C@@H]1CCCC[C@@H]1Sc1nc2ccccc2o1)c1ccc(Cl)cc1 ZINC000003651239 568922611 /nfs/dbraw/zinc/92/26/11/568922611.db2.gz NKUWXLYFFBAEEK-AEFFLSMTSA-N 0 0 422.959 4.863 50 0 HJAARN COc1ccc2c(c1)CCc1sc(NC(=O)c3ccc(Br)cc3)nc1-2 ZINC000003651720 568922818 /nfs/dbraw/zinc/92/28/18/568922818.db2.gz HIQOJEZVTMKYTJ-UHFFFAOYSA-N 0 0 415.312 4.932 50 0 aggregator HJAARN CCOC(CNC(=O)c1cc(Sc2ccc(C)cc2)nc2ccccc21)OCC ZINC000003655154 568922868 /nfs/dbraw/zinc/92/28/68/568922868.db2.gz WKNXURVCXYJWCR-UHFFFAOYSA-N 0 0 410.539 4.823 50 0 HJAARN COC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000003658664 568923310 /nfs/dbraw/zinc/92/33/10/568923310.db2.gz YEHPLVBKAJAQRA-AWEZNQCLSA-N 0 0 407.470 4.880 50 0 aggregator HJAARN O=C(c1nn(-c2ccccc2)c2c1CCC2)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000031392811 568925414 /nfs/dbraw/zinc/92/54/14/568925414.db2.gz YLNLXPNHPAGFJI-FQEVSTJZSA-N 0 0 414.534 4.948 50 0 HJAARN Cc1ccc(NC(=O)c2cccn(Cc3cccc(C(F)(F)F)c3)c2=O)c(C)c1 ZINC000001400224 568926635 /nfs/dbraw/zinc/92/66/35/568926635.db2.gz QVQHXUKNJQBOID-UHFFFAOYSA-N 0 0 400.400 4.785 50 0 HJAARN CCOC(=O)c1c2ccc(OCC(=O)Nc3ccc(F)cc3F)cc2n2ccccc12 ZINC000001402609 568927521 /nfs/dbraw/zinc/92/75/21/568927521.db2.gz DPDQHDABQWMEQZ-UHFFFAOYSA-N 0 0 424.403 4.565 50 0 HJAARN COc1cc(NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)cc(OC)c1OC ZINC000031545977 568927656 /nfs/dbraw/zinc/92/76/56/568927656.db2.gz IBQZRUHLNUBYNT-UHFFFAOYSA-N 0 0 421.497 4.555 50 0 HJAARN COc1cccc(-c2c[nH]c([C@@H]3CCCN3C(=O)C[C@H]3CCOc4ccccc43)n2)c1 ZINC000083973763 568929248 /nfs/dbraw/zinc/92/92/48/568929248.db2.gz BAQPDALSLIAGOY-VGSWGCGISA-N 0 0 417.509 4.705 50 0 HJAARN O=C(CCc1cccc(Cl)c1Cl)Nc1cccc(C(=O)NCC(F)(F)F)c1 ZINC000031715213 568929604 /nfs/dbraw/zinc/92/96/04/568929604.db2.gz QEIPSQMKMIVVHP-UHFFFAOYSA-N 0 0 419.230 4.857 50 0 HJAARN CCOC(=O)/C=C(\C)N1N=C2c3ccc(OC)cc3CC[C@H]2[C@H]1c1cccc(F)c1 ZINC000004006084 568932982 /nfs/dbraw/zinc/93/29/82/568932982.db2.gz XKNITNZFPVZCAL-QMCPKEQTSA-N 0 0 408.473 4.625 50 0 HJAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@]32CCOC(C)(C)C2)c(OC)c1 ZINC000004037639 568935702 /nfs/dbraw/zinc/93/57/02/568935702.db2.gz VRFITYPURADBAC-RDPSFJRHSA-N 0 0 408.498 4.533 50 0 biogenic HJAARN Cc1cc(C(=O)CN2CCO[C@@H](c3ccc(Cl)cc3)C2)c(C)n1CC(F)(F)F ZINC000084079590 568936123 /nfs/dbraw/zinc/93/61/23/568936123.db2.gz QVZVMIFINABFCO-LJQANCHMSA-N 0 0 414.855 4.577 50 0 HJAARN Cc1cc(Oc2coc3cc(OC(=O)[C@H]4CCCO4)ccc3c2=O)cc(C)c1Cl ZINC000004043307 568936130 /nfs/dbraw/zinc/93/61/30/568936130.db2.gz SEMNAPUJKOIMDM-QGZVFWFLSA-N 0 0 414.841 4.940 50 0 HJAARN Cc1cc(N2CCCC2)ccc1NC(=O)CSc1nccn1-c1cccc(F)c1 ZINC000019196561 568936530 /nfs/dbraw/zinc/93/65/30/568936530.db2.gz DDZXEKNCYKLLKQ-UHFFFAOYSA-N 0 0 410.518 4.651 50 0 HJAARN COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)CCc2ccccc2)c(OC)c1 ZINC000004064842 568937498 /nfs/dbraw/zinc/93/74/98/568937498.db2.gz LXBRFSSHLGAUPU-HRNNMHKYSA-N 0 0 423.553 4.531 50 0 biogenic HJAARN CCOc1ccc(CSc2nc3ccccc3[nH]2)cc1-n1nc2ccccc2n1 ZINC000001428657 568939472 /nfs/dbraw/zinc/93/94/72/568939472.db2.gz MKLHJSGGBUYXKT-UHFFFAOYSA-N 0 0 401.495 4.988 50 0 HJAARN COc1ccc(NC(=O)Cc2c(C)c3c4oc(C)c(C)c4c(C)cc3oc2=O)cc1 ZINC000004089574 568941657 /nfs/dbraw/zinc/94/16/57/568941657.db2.gz OFCWYHIBCADSFV-UHFFFAOYSA-N 0 0 405.450 4.963 50 0 biogenic HJAARN COC(=O)c1scc(C)c1N(C(=O)c1ccccc1F)C(=O)c1ccccc1F ZINC000004104989 568942885 /nfs/dbraw/zinc/94/28/85/568942885.db2.gz SZVINWLMSMHKCC-UHFFFAOYSA-N 0 0 415.417 4.609 50 0 HJAARN O=C(Nc1cccc(F)c1)c1oc2ccccc2c1NC(=O)c1ccc2c(c1)OCO2 ZINC000004101736 568942924 /nfs/dbraw/zinc/94/29/24/568942924.db2.gz YBOFREVRRLCBAF-UHFFFAOYSA-N 0 0 418.380 4.805 50 0 aggregator HJAARN O=C(Nc1nnc(-c2ccc3c(c2)OCCO3)o1)c1ccccc1Oc1ccccc1 ZINC000004107179 568943393 /nfs/dbraw/zinc/94/33/93/568943393.db2.gz GEIYRMJWMIHQEH-UHFFFAOYSA-N 0 0 415.405 4.552 50 0 HJAARN CCOc1ccc(C(=O)N2CCN=C2SCc2cccc(Cl)c2)cc1OCC ZINC000004120618 568944865 /nfs/dbraw/zinc/94/48/65/568944865.db2.gz FJELLRDSPKTEEI-UHFFFAOYSA-N 0 0 418.946 4.883 50 0 HJAARN COc1ccc(-c2nnc(SCC(=O)OC(C)(C)C)n2-c2ccc(C)cc2)cc1 ZINC000004212880 568946385 /nfs/dbraw/zinc/94/63/85/568946385.db2.gz MRRQOTKMLYPOBH-UHFFFAOYSA-N 0 0 411.527 4.685 50 0 HJAARN COC(=O)[C@H](C)Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1Cl ZINC000004146064 568946478 /nfs/dbraw/zinc/94/64/78/568946478.db2.gz IMIOSVFGAAQGEN-NSHDSACASA-N 0 0 408.310 4.895 50 0 HJAARN COc1ccc([C@@H](C)NC(=O)c2oc3c(c2C)-c2nc(C)sc2CC3)cc1OC ZINC000015869941 568946758 /nfs/dbraw/zinc/94/67/58/568946758.db2.gz PZCFAKRWSOIWAY-GFCCVEGCSA-N 0 0 412.511 4.627 50 0 HJAARN COc1ccc(Cn2nccc2NC(=O)c2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000012763690 568947279 /nfs/dbraw/zinc/94/72/79/568947279.db2.gz SAIUOPVNFIULMR-UHFFFAOYSA-N 0 0 406.269 4.508 50 0 HJAARN CC(=O)c1c(C)nc(C)nc1SCCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000012763782 568947301 /nfs/dbraw/zinc/94/73/01/568947301.db2.gz PERFDVKVUUYUGH-UHFFFAOYSA-N 0 0 400.479 4.518 50 0 HJAARN CCOC(=O)CCC(=O)Nc1c2ccccc2oc1C(=O)Nc1ccc(Cl)cc1 ZINC000004162557 568947557 /nfs/dbraw/zinc/94/75/57/568947557.db2.gz JGCGCVUDLPKROE-UHFFFAOYSA-N 0 0 414.845 4.620 50 0 HJAARN CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1cc2cc3c(cc2nc1Cl)OCO3 ZINC000004176551 568948866 /nfs/dbraw/zinc/94/88/66/568948866.db2.gz UCCKEXFSEVWSDE-IBGZPJMESA-N 0 0 407.857 4.623 50 0 HJAARN O=C(C[C@H](c1ccccc1)C(F)(F)F)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000084522297 568949820 /nfs/dbraw/zinc/94/98/20/568949820.db2.gz LXYPXQGERSIWAW-GFCCVEGCSA-N 0 0 408.401 4.742 50 0 HJAARN O=C(c1cc(-c2ccc(Cl)s2)on1)N1CCC(OCc2ccccc2)CC1 ZINC000084539454 568950697 /nfs/dbraw/zinc/95/06/97/568950697.db2.gz ZTEYGVHVNSQKNH-UHFFFAOYSA-N 0 0 402.903 4.878 50 0 HJAARN O=c1c2ccsc2nc(SCc2cnn(-c3ccccc3)c2)n1-c1ccccc1 ZINC000084576650 568951191 /nfs/dbraw/zinc/95/11/91/568951191.db2.gz LOOBDMDPCWPERC-UHFFFAOYSA-N 0 0 416.531 4.925 50 0 HJAARN CC(=O)Nc1ccc(-c2csc(NC(=O)Cn3c(C)cc4ccccc43)n2)cc1 ZINC000015585717 568951495 /nfs/dbraw/zinc/95/14/95/568951495.db2.gz VBGKMAUQAIYBRZ-UHFFFAOYSA-N 0 0 404.495 4.670 50 0 HJAARN Cc1nc(-c2ccc(CCNC(=O)CCc3cnn(-c4ccccc4)c3)cc2)cs1 ZINC000012773228 568952782 /nfs/dbraw/zinc/95/27/82/568952782.db2.gz JHWLNDQLHFCVGX-UHFFFAOYSA-N 0 0 416.550 4.596 50 0 HJAARN Cc1ccc(C)c(OCCSc2nnc(-c3cccnc3)n2Cc2ccco2)c1 ZINC000012776973 568955418 /nfs/dbraw/zinc/95/54/18/568955418.db2.gz VXHZCVAQHIOZDT-UHFFFAOYSA-N 0 0 406.511 4.769 50 0 HJAARN COc1cc(OC)c(NC(=O)c2csc(COc3ccc(C)cc3)n2)cc1Cl ZINC000012777951 568956009 /nfs/dbraw/zinc/95/60/09/568956009.db2.gz YIQCGPNERHWZQQ-UHFFFAOYSA-N 0 0 418.902 4.953 50 0 HJAARN CCC(CC)C(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1cc(OC)ccc1OC ZINC000012779301 568956538 /nfs/dbraw/zinc/95/65/38/568956538.db2.gz RMBCDBIFYHTGPC-QFIPXVFZSA-N 0 0 410.514 4.826 50 0 HJAARN Cc1sc2nc(-c3cccnc3)nc(N(C)CC(=O)Nc3cccc(F)c3)c2c1C ZINC000012782476 568958432 /nfs/dbraw/zinc/95/84/32/568958432.db2.gz WVOWISQSQGOPMD-UHFFFAOYSA-N 0 0 421.501 4.584 50 0 HJAARN COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)cc1 ZINC000004279906 568958681 /nfs/dbraw/zinc/95/86/81/568958681.db2.gz LARYQKMKRIQRRI-DEOSSOPVSA-N 0 0 403.478 4.500 50 0 HJAARN Cc1ccc(CSCCNC(=O)c2ccccc2NC(=O)c2cccs2)cc1 ZINC000012783699 568959058 /nfs/dbraw/zinc/95/90/58/568959058.db2.gz OKMLXNUJAFFZHJ-UHFFFAOYSA-N 0 0 410.564 4.972 50 0 HJAARN Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c(Cl)c1 ZINC000012784285 568959619 /nfs/dbraw/zinc/95/96/19/568959619.db2.gz NCWIFJKCJOJAMD-LZGZYFLISA-N 0 0 400.950 4.794 50 0 HJAARN Cc1c(C(=O)Nc2ccc(Br)cc2)nnn1-c1ccc(C)c(Cl)c1 ZINC000004315639 568961716 /nfs/dbraw/zinc/96/17/16/568961716.db2.gz YKHSUSOLMNMUAB-UHFFFAOYSA-N 0 0 405.683 4.552 50 0 HJAARN CCOC(=O)Cc1ccc(NC(=O)N2C[C@H](CC)Oc3ccc(Cl)cc32)cc1 ZINC000015675390 568963308 /nfs/dbraw/zinc/96/33/08/568963308.db2.gz RJQCXLBOWLZWLK-KRWDZBQOSA-N 0 0 402.878 4.655 50 0 HJAARN Cc1ccc2nc(COc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc(=O)n2c1 ZINC000007984233 568964225 /nfs/dbraw/zinc/96/42/25/568964225.db2.gz LRMYOSJZCMSZAC-UHFFFAOYSA-N 0 0 402.294 4.620 50 0 HJAARN CC(=O)c1cccc(OCC(=O)NC[C@@H](c2cccs2)c2c[nH]c3ccccc32)c1 ZINC000007988297 568965828 /nfs/dbraw/zinc/96/58/28/568965828.db2.gz SVADOWNSQFYOHR-OAQYLSRUSA-N 0 0 418.518 4.759 50 0 HJAARN 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Cc1cc(C(=O)CSc2nncn2-c2ccc(C)c(Cl)c2)c(C)n1C1CC1 ZINC000008133242 568976452 /nfs/dbraw/zinc/97/64/52/568976452.db2.gz IAFMQIXCNXSLRD-UHFFFAOYSA-N 0 0 400.935 4.957 50 0 HJAARN O=C(C[C@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O)NCc1ccc(Cl)cc1 ZINC000015720969 568976560 /nfs/dbraw/zinc/97/65/60/568976560.db2.gz DJUZCZANXNZGDP-JOCHJYFZSA-N 0 0 422.887 4.883 50 0 HJAARN COc1ccc(OC)c([C@@H]2CCCN2Cn2nc(C)n(Cc3ccccc3)c2=S)c1 ZINC000008151147 568977446 /nfs/dbraw/zinc/97/74/46/568977446.db2.gz VRLGIBHFUBATJW-NRFANRHFSA-N 0 0 424.570 4.583 50 0 HJAARN C[C@@H](Oc1cccc(C(=O)NCc2ccccc2)c1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000008156327 568977858 /nfs/dbraw/zinc/97/78/58/568977858.db2.gz DNEKHKLZBMGTNX-GOSISDBHSA-N 0 0 414.505 4.511 50 0 HJAARN Cc1cccc(N(Cc2ccccc2)C(=O)CNc2ccccc2N2CCCC2=O)c1 ZINC000008160147 568978999 /nfs/dbraw/zinc/97/89/99/568978999.db2.gz XRMMMDLILSLKMY-UHFFFAOYSA-N 0 0 413.521 4.767 50 0 HJAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N(C)c1ccccc1 ZINC000008186778 568980535 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ZINC000008394486 568998747 /nfs/dbraw/zinc/99/87/47/568998747.db2.gz CWBOSAWRBVYFIQ-LJQANCHMSA-N 0 0 404.304 4.738 50 0 HJAARN Cc1oc(-c2ccccc2)nc1CN1CCN(C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000015774484 568999298 /nfs/dbraw/zinc/99/92/98/568999298.db2.gz QCIAYKUJGULGOY-UHFFFAOYSA-N 0 0 404.514 4.617 50 0 HJAARN CCOc1ccc(C[NH2+]Cc2c(C)n(Cc3cccc(F)c3)c(C)c2C(=O)[O-])cc1 ZINC000015776895 568999493 /nfs/dbraw/zinc/99/94/93/568999493.db2.gz NJTSCZSGEQDWES-UHFFFAOYSA-N 0 0 410.489 4.679 50 0 HJAARN COc1ccc(Cn2c(C)c(C[NH2+]CCCc3ccccc3)c(C(=O)[O-])c2C)cc1 ZINC000015777131 568999561 /nfs/dbraw/zinc/99/95/61/568999561.db2.gz HOFXRFWINUHIKN-UHFFFAOYSA-N 0 0 406.526 4.582 50 0 HJAARN CCOc1ccc(CCNC(=O)c2cc3ccc4ccc(C)nc4c3[nH]2)cc1OCC ZINC000085577732 569002396 /nfs/dbraw/zinc/00/23/96/569002396.db2.gz DUNSGIQZHWPNRB-UHFFFAOYSA-N 0 0 417.509 4.794 50 0 HJAARN COc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2Br)cc1 ZINC000001499364 569004521 /nfs/dbraw/zinc/00/45/21/569004521.db2.gz VDRGUZSQROONKR-RUDMXATFSA-N 0 0 411.093 4.872 50 0 biogenic HJAARN CCCCCNC(=O)c1ccc2[nH]c(CCc3ccc(NC(=O)C(C)C)cc3)nc2c1 ZINC000085653822 569006184 /nfs/dbraw/zinc/00/61/84/569006184.db2.gz HODZKSCOUWZDOS-UHFFFAOYSA-N 0 0 420.557 4.863 50 0 HJAARN CCNC(=O)COc1ccc(C(=O)Nc2nc(-c3ccc(C(C)C)cc3)cs2)cc1 ZINC000012823494 569007294 /nfs/dbraw/zinc/00/72/94/569007294.db2.gz AGXRNJXNTSSFBX-UHFFFAOYSA-N 0 0 423.538 4.701 50 0 HJAARN Cc1cc(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)c2nc3n(c2n1)CCCCC3 ZINC000012824077 569007536 /nfs/dbraw/zinc/00/75/36/569007536.db2.gz RLEPDDAJCCRDII-UHFFFAOYSA-N 0 0 419.529 4.703 50 0 HJAARN CCn1c(SCC(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1cccs1 ZINC000001077427 569007775 /nfs/dbraw/zinc/00/77/75/569007775.db2.gz COLJFNIRXNKEGU-UHFFFAOYSA-N 0 0 422.963 4.728 50 0 HJAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000000860565 569009435 /nfs/dbraw/zinc/00/94/35/569009435.db2.gz ONHWSZIYZWNOFV-UHFFFAOYSA-N 0 0 415.522 4.677 50 0 HJAARN Cc1noc(C)c1CSc1nc2oc(C)c(C)c2c(NC(=O)c2ccccc2)n1 ZINC000012855044 569010944 /nfs/dbraw/zinc/01/09/44/569010944.db2.gz FRRFBVYVAFTECV-UHFFFAOYSA-N 0 0 408.483 4.989 50 0 HJAARN Cc1ccc([C@](O)(CCNC(=O)Nc2ccc(Cl)c(Cl)c2)C(F)(F)F)o1 ZINC000012856088 569011049 /nfs/dbraw/zinc/01/10/49/569011049.db2.gz WQRDIHSVKHZXOZ-OAHLLOKOSA-N 0 0 411.207 4.857 50 0 HJAARN CC(C)c1cccc(C(C)C)c1NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000012864802 569012060 /nfs/dbraw/zinc/01/20/60/569012060.db2.gz UVWKBMGBVFWPDG-UHFFFAOYSA-N 0 0 422.978 4.992 50 0 HJAARN COc1cc(Br)cc2c1Oc1nc(-c3ccc(O)cc3)[nH]c(=S)c1C2 ZINC000015830902 569012200 /nfs/dbraw/zinc/01/22/00/569012200.db2.gz YPPULICHFQVUNJ-UHFFFAOYSA-N 0 0 417.284 4.606 50 0 HJAARN COc1ccccc1N[C@H](NC(=O)OCc1ccccc1)C(Cl)(Cl)Cl ZINC000000825886 569012464 /nfs/dbraw/zinc/01/24/64/569012464.db2.gz JAKQZXZDCNIIJP-OAHLLOKOSA-N 0 0 403.693 4.730 50 0 HJAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]21C ZINC000257359258 569013393 /nfs/dbraw/zinc/01/33/93/569013393.db2.gz ZHUOOEGSSFNTNP-CNNDNGLQSA-N 0 0 406.607 4.566 50 0 HJAARN COc1ccccc1CN(C)Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1 ZINC000012875333 569013592 /nfs/dbraw/zinc/01/35/92/569013592.db2.gz HCDCSADOCJNCJH-UHFFFAOYSA-N 0 0 419.550 4.909 50 0 HJAARN CN(C(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1)C1CCCCC1 ZINC000006145069 569014507 /nfs/dbraw/zinc/01/45/07/569014507.db2.gz HKGNHEHTCMHXOY-UHFFFAOYSA-N 0 0 415.917 4.867 50 0 HJAARN COC(=O)C1=C(N)N(c2ccc(C)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000005394340 569014604 /nfs/dbraw/zinc/01/46/04/569014604.db2.gz DMXGCTPGTPLSPB-NRFANRHFSA-N 0 0 416.521 4.585 50 0 HJAARN O=C(Nc1c2ccccc2oc1[C@H](c1ccccc1F)N1CCOCC1)c1ccco1 ZINC000015859330 569015124 /nfs/dbraw/zinc/01/51/24/569015124.db2.gz HIHGODMVLJOHLN-QFIPXVFZSA-N 0 0 420.440 4.839 50 0 HJAARN CCOc1ncccc1C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1 ZINC000006155303 569015354 /nfs/dbraw/zinc/01/53/54/569015354.db2.gz BJQMNYTWOGBPEN-UHFFFAOYSA-N 0 0 406.920 4.530 50 0 HJAARN O[C@@H](COc1ccc(Cl)cc1)Cn1c(COc2ccccc2)nc2ccccc21 ZINC000015860760 569015409 /nfs/dbraw/zinc/01/54/09/569015409.db2.gz KSKCAHAAIHLNDP-GOSISDBHSA-N 0 0 408.885 4.709 50 0 HJAARN CCn1c2cc(NC(=O)Nc3c(C)cccc3C)c(N3CCCC3)cc2n(CC)c1=O ZINC000015864563 569016660 /nfs/dbraw/zinc/01/66/60/569016660.db2.gz HDQIOONSZSXPIK-UHFFFAOYSA-N 0 0 421.545 4.704 50 0 HJAARN Cc1ccc(C)c(NC(=O)c2cccn(Cc3ccc(C(F)(F)F)cc3)c2=O)c1 ZINC000015882852 569019199 /nfs/dbraw/zinc/01/91/99/569019199.db2.gz JGYASWSWOYKCKT-UHFFFAOYSA-N 0 0 400.400 4.785 50 0 HJAARN O=C(Nc1ccc(Cl)cc1)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000015882830 569019245 /nfs/dbraw/zinc/01/92/45/569019245.db2.gz JBYNMHKGBKTNNZ-UHFFFAOYSA-N 0 0 406.791 4.821 50 0 HJAARN CSc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000015883269 569019279 /nfs/dbraw/zinc/01/92/79/569019279.db2.gz RILUTZJRSWYQJE-UHFFFAOYSA-N 0 0 418.440 4.890 50 0 HJAARN COc1ccc(C)cc1-n1nnnc1S[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000012884203 569019393 /nfs/dbraw/zinc/01/93/93/569019393.db2.gz XMOVTJAPWBOWSJ-LBPRGKRZSA-N 0 0 416.457 4.577 50 0 HJAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cc1ccc2ccccc2c1 ZINC000012887034 569019523 /nfs/dbraw/zinc/01/95/23/569019523.db2.gz VWANFMLXDDPAAS-UHFFFAOYSA-N 0 0 414.427 4.888 50 0 HJAARN Cc1ccc(F)c(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)c1 ZINC000012891154 569019981 /nfs/dbraw/zinc/01/99/81/569019981.db2.gz MCOQLJRHWGVNNS-MRXNPFEDSA-N 0 0 424.497 4.526 50 0 HJAARN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(C)cccc3C(C)C)C2)s1 ZINC000012892035 569020062 /nfs/dbraw/zinc/02/00/62/569020062.db2.gz ZMAXAUVMUBQOSZ-QGZVFWFLSA-N 0 0 420.600 4.528 50 0 HJAARN Cc1cc(=O)oc2cc(OCC(=O)Nc3c(Cl)cccc3C(F)(F)F)ccc12 ZINC000012897400 569020369 /nfs/dbraw/zinc/02/03/69/569020369.db2.gz MELPGJGISKMRLG-UHFFFAOYSA-N 0 0 411.763 4.791 50 0 HJAARN CN(CC(=O)Nc1ccccc1Cl)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000012899335 569020564 /nfs/dbraw/zinc/02/05/64/569020564.db2.gz NUIUALZFELFXLB-UHFFFAOYSA-N 0 0 420.321 4.828 50 0 HJAARN CSc1nc(C)c(CCC(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c(C)n1 ZINC000012905948 569021184 /nfs/dbraw/zinc/02/11/84/569021184.db2.gz WPNIQDJWLWOEGS-UHFFFAOYSA-N 0 0 424.497 4.724 50 0 HJAARN COc1cc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc(OC)c1OC ZINC000012907846 569021276 /nfs/dbraw/zinc/02/12/76/569021276.db2.gz QSQWNIAPKKFVGJ-IBGZPJMESA-N 0 0 415.536 4.623 50 0 HJAARN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000012910622 569021574 /nfs/dbraw/zinc/02/15/74/569021574.db2.gz QJDAZIJZHYCWOA-LJQANCHMSA-N 0 0 424.497 4.782 50 0 HJAARN Cc1ccc2c(CC(=O)N(CC(=O)Nc3ccccc3)Cc3ccco3)coc2c1 ZINC000012911758 569021775 /nfs/dbraw/zinc/02/17/75/569021775.db2.gz OVARLDPNNFRURC-UHFFFAOYSA-N 0 0 402.450 4.544 50 0 HJAARN O=C(NCc1ccc(COCC(F)(F)F)cc1)c1csc(-c2cccs2)n1 ZINC000012909365 569021776 /nfs/dbraw/zinc/02/17/76/569021776.db2.gz CHLSZPFLBCGTFH-UHFFFAOYSA-N 0 0 412.458 4.881 50 0 HJAARN O=C(CNc1cc(Cl)ccc1OCC(F)(F)F)Nc1ccccc1OC(F)F ZINC000012911274 569021931 /nfs/dbraw/zinc/02/19/31/569021931.db2.gz UKVVKOCNAQRSRU-UHFFFAOYSA-N 0 0 424.753 4.933 50 0 HJAARN Cc1ccc([C@@H](NC(=O)CCc2nnc(-c3ccsc3)o2)c2ccccc2)cc1 ZINC000012913688 569022055 /nfs/dbraw/zinc/02/20/55/569022055.db2.gz CJCMAXWYBUWYAL-QFIPXVFZSA-N 0 0 403.507 4.945 50 0 HJAARN COc1ccc([C@H](C)NC(=O)c2sc(NC(=O)c3ccco3)cc2C)cc1F ZINC000012914028 569022088 /nfs/dbraw/zinc/02/20/88/569022088.db2.gz QZAJIRZDNXIPIC-LBPRGKRZSA-N 0 0 402.447 4.541 50 0 HJAARN CCOC(=O)c1c(C(=O)c2ccc(Cl)cc2)cn2c1sc1ccccc1c2=O ZINC000012913153 569022271 /nfs/dbraw/zinc/02/22/71/569022271.db2.gz KUSFTZVLFQNSOK-UHFFFAOYSA-N 0 0 411.866 4.575 50 0 HJAARN CCc1ccc(-c2noc(C[C@](O)(c3nc4ccccc4s3)C(F)(F)F)n2)cc1 ZINC000012915445 569022524 /nfs/dbraw/zinc/02/25/24/569022524.db2.gz XFCOPDNHKUPEMS-IBGZPJMESA-N 0 0 419.428 4.901 50 0 HJAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(I)c1 ZINC000012916237 569022584 /nfs/dbraw/zinc/02/25/84/569022584.db2.gz LWFPVLSHZWMWCD-NSHDSACASA-N 0 0 422.291 4.734 50 0 HJAARN O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000012918421 569022667 /nfs/dbraw/zinc/02/26/67/569022667.db2.gz PCMTWDQEDNHHIL-MRXNPFEDSA-N 0 0 408.832 4.575 50 0 HJAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cc3)C2)c2ccccc12 ZINC000012918666 569022776 /nfs/dbraw/zinc/02/27/76/569022776.db2.gz FYJIKZNQDBZUGF-GOSISDBHSA-N 0 0 402.494 4.648 50 0 HJAARN CCCc1noc(CSc2nc3ccccc3c(=O)n2[C@@H](C)c2ccccc2)n1 ZINC000012920581 569022999 /nfs/dbraw/zinc/02/29/99/569022999.db2.gz NXUBRKJQHIZRDC-HNNXBMFYSA-N 0 0 406.511 4.634 50 0 HJAARN COc1cc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c(OC)cc1Cl ZINC000012924650 569023609 /nfs/dbraw/zinc/02/36/09/569023609.db2.gz PQEJZCHEBCMBAI-UHFFFAOYSA-N 0 0 414.893 4.813 50 0 HJAARN COc1ccc(CNC(=O)[C@H](C)Sc2cc(C)c3cccc(C)c3n2)cc1OC ZINC000012934256 569025810 /nfs/dbraw/zinc/02/58/10/569025810.db2.gz KQAPNBSOMGZBTK-INIZCTEOSA-N 0 0 410.539 4.666 50 0 HJAARN Cc1cc(C)n(-c2ccc(=S)n(CN3CCC(CCc4ccccc4)CC3)n2)n1 ZINC000012944618 569028941 /nfs/dbraw/zinc/02/89/41/569028941.db2.gz XEWIZMXOHGZNAM-UHFFFAOYSA-N 0 0 407.587 4.717 50 0 HJAARN COc1ccc([C@@H]2CCCN2C(=O)COc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000012947499 569029159 /nfs/dbraw/zinc/02/91/59/569029159.db2.gz PZLIFYCGLPBPRW-KRWDZBQOSA-N 0 0 410.297 4.753 50 0 HJAARN CC1=CC(C)(C)N(C)c2cc3oc(=O)c(C(=O)CSc4ccccn4)cc3cc21 ZINC000575473313 569029957 /nfs/dbraw/zinc/02/99/57/569029957.db2.gz YGIBIPUSNWNXML-UHFFFAOYSA-N 0 0 406.507 4.795 50 0 HJAARN COc1ccccc1Oc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 ZINC000016303698 569031139 /nfs/dbraw/zinc/03/11/39/569031139.db2.gz GISHDAUNAKQHLC-UHFFFAOYSA-N 0 0 416.477 4.862 50 0 HJAARN O=C(NC[C@@H](c1cccs1)n1cccn1)C1c2ccccc2Oc2ccccc21 ZINC000575613636 569032677 /nfs/dbraw/zinc/03/26/77/569032677.db2.gz IVQSXHAZYUZRQK-SFHVURJKSA-N 0 0 401.491 4.588 50 0 HJAARN CCc1ccc(-c2nc(S[C@@H](C)C(=O)N[C@H](C)CCc3ccccc3)n[nH]2)cc1 ZINC000006214804 569033256 /nfs/dbraw/zinc/03/32/56/569033256.db2.gz YMSQJZPUWYNOPB-SJORKVTESA-N 0 0 408.571 4.652 50 0 HJAARN Cc1cccc(-c2ccc(N3CCC[C@@H](C(=O)NCc4ccc(Cl)cc4)C3)nn2)c1 ZINC000035398311 569035090 /nfs/dbraw/zinc/03/50/90/569035090.db2.gz GOGRWHWMQCULST-HXUWFJFHSA-N 0 0 420.944 4.638 50 0 HJAARN O=C(NCCC1=CCCCC1)C1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1 ZINC000035398589 569035208 /nfs/dbraw/zinc/03/52/08/569035208.db2.gz RDEDUIDTMXJBGG-UHFFFAOYSA-N 0 0 408.521 4.506 50 0 HJAARN O=C(c1ccc(Br)cc1)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000035399407 569035276 /nfs/dbraw/zinc/03/52/76/569035276.db2.gz MVZBVTAFBUTCDR-UHFFFAOYSA-N 0 0 422.326 4.797 50 0 biogenic HJAARN Cc1ccc(NC(=O)CN2CC=C(c3cnn(-c4ccccc4Cl)c3)CC2)cc1C ZINC000035404360 569035731 /nfs/dbraw/zinc/03/57/31/569035731.db2.gz LHKXAKFEXHKENP-UHFFFAOYSA-N 0 0 420.944 4.870 50 0 HJAARN Cc1cc(Cl)ccc1OC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000006289153 569037637 /nfs/dbraw/zinc/03/76/37/569037637.db2.gz KDZZWRBVMXFIIA-HUUCEWRRSA-N 0 0 421.946 4.534 50 0 HJAARN COC(=O)c1c(NC(=O)N2CCC[C@@H]2c2ccccc2F)sc2c1CCCC2 ZINC000035476519 569038339 /nfs/dbraw/zinc/03/83/39/569038339.db2.gz YFMSMJKPYGKYRF-MRXNPFEDSA-N 0 0 402.491 4.922 50 0 HJAARN CCOc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O ZINC000006303772 569038667 /nfs/dbraw/zinc/03/86/67/569038667.db2.gz UPGFXZBBDRMBSC-UHFFFAOYSA-N 0 0 414.461 4.755 50 0 HJAARN Cc1nc(-c2ccc(S(=O)(=O)N[C@H](C)Cc3csc4ccccc34)cc2)co1 ZINC000575621814 569039005 /nfs/dbraw/zinc/03/90/05/569039005.db2.gz UYWVLEQKXXTHKI-CQSZACIVSA-N 0 0 412.536 4.774 50 0 HJAARN Cc1c(CNC(=O)Cc2noc3ccccc23)sc2nc(-c3ccc(F)cc3)cn12 ZINC000090593755 569041629 /nfs/dbraw/zinc/04/16/29/569041629.db2.gz NDHYXPJHPMMBQS-UHFFFAOYSA-N 0 0 420.469 4.510 50 0 HJAARN CC(=O)c1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000090610092 569042578 /nfs/dbraw/zinc/04/25/78/569042578.db2.gz LYTYQFSZBRVULV-UHFFFAOYSA-N 0 0 420.856 4.700 50 0 HJAARN Cc1ccc(-c2nc3c4ccccc4n(CC(=O)c4cc(C)ccc4C)c(=O)n3n2)cc1 ZINC000035510889 569042960 /nfs/dbraw/zinc/04/29/60/569042960.db2.gz HCACHCZHMLOMLU-UHFFFAOYSA-N 0 0 422.488 4.519 50 0 HJAARN O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21 ZINC000006342139 569043699 /nfs/dbraw/zinc/04/36/99/569043699.db2.gz ZKTNKQFPIHJHCP-UHFFFAOYSA-N 0 0 412.401 4.612 50 0 HJAARN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000035527851 569043962 /nfs/dbraw/zinc/04/39/62/569043962.db2.gz VLHQONUDMZDWBR-QGZVFWFLSA-N 0 0 417.918 4.533 50 0 HJAARN Cc1ccc(NC(=O)N2CCC(CC(=O)NCc3ccc(OC(C)C)cc3)CC2)cc1 ZINC000035529040 569044106 /nfs/dbraw/zinc/04/41/06/569044106.db2.gz QQHQVTTTXLTFNB-UHFFFAOYSA-N 0 0 423.557 4.733 50 0 HJAARN CCCCCn1nc(C(=O)Nc2cccc(Br)c2)c2ccccc2c1=O ZINC000006338872 569044456 /nfs/dbraw/zinc/04/44/56/569044456.db2.gz FWFPMAZFDJZMBQ-UHFFFAOYSA-N 0 0 414.303 4.602 50 0 HJAARN O=C(COc1ccccn1)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000006346479 569044541 /nfs/dbraw/zinc/04/45/41/569044541.db2.gz WKOABPWXFMDLAK-DEOSSOPVSA-N 0 0 407.473 4.992 50 0 HJAARN COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1ccc(F)cc1F)c1ccccc1 ZINC000006354496 569045210 /nfs/dbraw/zinc/04/52/10/569045210.db2.gz AVVNHESIACSNFI-NRFANRHFSA-N 0 0 411.404 4.819 50 0 HJAARN CCc1ccc(-c2cc(C(=O)N3N=C(C)C[C@@]3(O)C(F)F)c3ccccc3n2)cc1 ZINC000006359262 569045254 /nfs/dbraw/zinc/04/52/54/569045254.db2.gz RKTHBIACSLRJJC-HSZRJFAPSA-N 0 0 409.436 4.640 50 0 HJAARN COc1ccc(-n2nnnc2C2(Nc3ccc(C)cc3C)CCCCC2)cc1OC ZINC000035622796 569046684 /nfs/dbraw/zinc/04/66/84/569046684.db2.gz PDGASWUVNDDEBP-UHFFFAOYSA-N 0 0 407.518 4.568 50 0 HJAARN Cc1cc(=O)oc2cc(OC(=O)CCc3c(C)nc4c(cnn4C(C)C)c3C)ccc12 ZINC000018115186 569047152 /nfs/dbraw/zinc/04/71/52/569047152.db2.gz XEOJKJSFQYKKMW-UHFFFAOYSA-N 0 0 419.481 4.582 50 0 HJAARN Cc1noc(C)c1CSc1ccccc1C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000012982403 569047326 /nfs/dbraw/zinc/04/73/26/569047326.db2.gz HKKPWEVGRLVRRV-UHFFFAOYSA-N 0 0 421.522 4.963 50 0 HJAARN COc1ccc(Nc2nn3c(nc(C)cc3C)c2NC(=O)c2ccc(C)cc2)cc1 ZINC000035671229 569048487 /nfs/dbraw/zinc/04/84/87/569048487.db2.gz BRRWCKRBEYZMCL-UHFFFAOYSA-N 0 0 401.470 4.659 50 0 HJAARN CCCCn1nc(C(=O)Nc2ccc(C)cc2Br)c2ccccc2c1=O ZINC000006430000 569048787 /nfs/dbraw/zinc/04/87/87/569048787.db2.gz WFDCYIHMVDXROP-UHFFFAOYSA-N 0 0 414.303 4.520 50 0 HJAARN CC1CCN(Cc2csc(NC(=O)c3cccc(NC(=O)C(C)(C)C)c3)n2)CC1 ZINC000012999305 569049236 /nfs/dbraw/zinc/04/92/36/569049236.db2.gz QNRFKUVFMKLVOU-UHFFFAOYSA-N 0 0 414.575 4.612 50 0 HJAARN O=C(CCc1ccc2c(c1)OCO2)Nc1ccnn1Cc1ccc(Cl)cc1Cl ZINC000013003057 569049301 /nfs/dbraw/zinc/04/93/01/569049301.db2.gz FPEWWAIOUSZSIP-UHFFFAOYSA-N 0 0 418.280 4.538 50 0 HJAARN COc1cc2c(cc1NC(=O)[C@H]1CCCN(C(=O)c3ccco3)C1)oc1ccccc12 ZINC000013005976 569049676 /nfs/dbraw/zinc/04/96/76/569049676.db2.gz PIEJGSJFBOMTPE-HNNXBMFYSA-N 0 0 418.449 4.679 50 0 HJAARN CCCn1c(C)cc(-c2csc(NC(=O)CCCNC(=O)C(C)(C)C)n2)c1C ZINC000013007337 569049812 /nfs/dbraw/zinc/04/98/12/569049812.db2.gz GFCMYDKHFSQXTR-UHFFFAOYSA-N 0 0 404.580 4.519 50 0 HJAARN CC(=O)c1ccccc1NC=C1c2ccccc2C(=O)N(c2ccc(Cl)cn2)C1=O ZINC000103004194 569050316 /nfs/dbraw/zinc/05/03/16/569050316.db2.gz OPKAJERJHXCJRF-CPNJWEJPSA-N 0 0 417.852 4.578 50 0 HJAARN Ic1ccc2[nH]c3ccc(I)cc3c2c1 ZINC000006142399 569051955 /nfs/dbraw/zinc/05/19/55/569051955.db2.gz PECAOKZHORDWAI-UHFFFAOYSA-N 0 0 419.003 4.530 50 0 HJAARN COc1cccc(C(=O)N(C)Cc2csc(COc3cc(C)cc(C)c3C)n2)c1 ZINC000035719142 569053134 /nfs/dbraw/zinc/05/31/34/569053134.db2.gz HGRLCDSCAJEERA-UHFFFAOYSA-N 0 0 410.539 4.928 50 0 HJAARN Cc1cccc(NC(=O)CSc2nnc(COc3ccccc3Cl)o2)c1C ZINC000006451073 569053410 /nfs/dbraw/zinc/05/34/10/569053410.db2.gz KRRAKAWEGZBFKO-UHFFFAOYSA-N 0 0 403.891 4.650 50 0 HJAARN C[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000245254644 569055467 /nfs/dbraw/zinc/05/54/67/569055467.db2.gz BPUGHZMUSVNPKN-KZNAEPCWSA-N 0 0 413.562 4.546 50 0 HJAARN CCCCNC(=O)N1CCN(c2ccc(NC(=O)Nc3cccc(CC)c3)cc2)CC1 ZINC000035745016 569057231 /nfs/dbraw/zinc/05/72/31/569057231.db2.gz BPSSDMJYHCUREY-UHFFFAOYSA-N 0 0 423.561 4.525 50 0 HJAARN O=C(COc1ccccc1C(=O)Nc1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC000006460939 569057282 /nfs/dbraw/zinc/05/72/82/569057282.db2.gz MCAWZHDIQUXZFB-JOCHJYFZSA-N 0 0 400.478 4.512 50 0 HJAARN CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@H](C)c2cnn(Cc3ccccc3)c2)s1 ZINC000089289883 569058058 /nfs/dbraw/zinc/05/80/58/569058058.db2.gz ROZNBPFFQPWVRW-WBVHZDCISA-N 0 0 411.575 4.722 50 0 HJAARN CC[C@@H]1CCc2c(sc(NC(=O)c3ccnn3C)c2C(=O)Nc2cccc(C)c2)C1 ZINC000006489415 569059560 /nfs/dbraw/zinc/05/95/60/569059560.db2.gz VNBUWHCHWBTXGT-OAHLLOKOSA-N 0 0 422.554 4.810 50 0 HJAARN COc1cc2c(cc1OC)[C@H](C)N(C(=O)C(c1ccccc1)c1ccccc1)CC2 ZINC000000799858 569060293 /nfs/dbraw/zinc/06/02/93/569060293.db2.gz OKDLGQDNHVREDD-SFHVURJKSA-N 0 0 401.506 4.982 50 0 biogenic HJAARN Cc1oc2cc(OC(=O)c3ccccc3)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 ZINC000003109930 569060603 /nfs/dbraw/zinc/06/06/03/569060603.db2.gz PZBZFLPARLTAGB-UHFFFAOYSA-N 0 0 414.413 4.759 50 0 biogenic HJAARN O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1ccc(Oc2ccccc2)cc1 ZINC000016644217 569061504 /nfs/dbraw/zinc/06/15/04/569061504.db2.gz HUIGOLUWUSOZSI-UHFFFAOYSA-N 0 0 419.462 4.962 50 0 HJAARN CCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(Br)cc1F ZINC000064438933 569062149 /nfs/dbraw/zinc/06/21/49/569062149.db2.gz NYPROTBCCAISNK-UHFFFAOYSA-N 0 0 418.266 4.799 50 0 HJAARN Cc1cccc(NC(=O)COC(=O)CCCSc2nc3ccccc3s2)c1 ZINC000006510885 569062223 /nfs/dbraw/zinc/06/22/23/569062223.db2.gz AIUOKSVWCJHBRS-UHFFFAOYSA-N 0 0 400.525 4.659 50 0 HJAARN C[C@@H](NC(=O)COc1ccc2cc(Br)ccc2c1)c1ccc(F)cc1 ZINC000006510858 569062224 /nfs/dbraw/zinc/06/22/24/569062224.db2.gz OZZDSEBCPXEDKL-CYBMUJFWSA-N 0 0 402.263 4.998 50 0 HJAARN Fc1ccccc1OCCSc1nnc(-c2ccncc2)n1Cc1ccccc1 ZINC000006510869 569062249 /nfs/dbraw/zinc/06/22/49/569062249.db2.gz VHGXCNYEYOGFGP-UHFFFAOYSA-N 0 0 406.486 4.699 50 0 HJAARN Cc1ccccc1NC(=O)N1CCN(c2nc3cc(Cl)ccc3n3cccc23)CC1 ZINC000064450162 569062750 /nfs/dbraw/zinc/06/27/50/569062750.db2.gz WDOCFYDZYDWDDK-UHFFFAOYSA-N 0 0 419.916 4.803 50 0 HJAARN COc1ccc(NC(=O)c2c(C)sc3ncnc(N4CCC[C@H](C)C4)c32)cc1F ZINC000064459731 569062967 /nfs/dbraw/zinc/06/29/67/569062967.db2.gz LYOAFTPOUFSCAV-LBPRGKRZSA-N 0 0 414.506 4.636 50 0 HJAARN Cc1ccc(NC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3C)C2)cc1F ZINC000064452535 569062984 /nfs/dbraw/zinc/06/29/84/569062984.db2.gz IYDVDWLNTRXBCD-SFHVURJKSA-N 0 0 420.488 4.880 50 0 HJAARN CC(C)NC(=O)Nc1c(N)n(-c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1 ZINC000035868128 569063435 /nfs/dbraw/zinc/06/34/35/569063435.db2.gz ASTVDERPHLYXGO-UHFFFAOYSA-N 0 0 404.301 4.958 50 0 HJAARN CCOc1ccc(NC(=O)c2cc(-c3cccnc3)n(-c3ccc(OC)cc3)n2)cc1 ZINC000064472896 569063482 /nfs/dbraw/zinc/06/34/82/569063482.db2.gz FWUJZYZOJIZDDN-UHFFFAOYSA-N 0 0 414.465 4.594 50 0 HJAARN O=C(c1cnc2ccccc2c1Nc1ccc(F)c(Cl)c1)N1CCSCC1 ZINC000064471853 569063494 /nfs/dbraw/zinc/06/34/94/569063494.db2.gz GQPJDBJMLZYKIQ-UHFFFAOYSA-N 0 0 401.894 4.960 50 0 HJAARN COc1cc2nc(C(=O)N3CCC(C)CC3)cc(Nc3ccccc3)c2cc1OC ZINC000064474080 569063667 /nfs/dbraw/zinc/06/36/67/569063667.db2.gz VEICDISSKULSGY-UHFFFAOYSA-N 0 0 405.498 4.868 50 0 HJAARN CC[C@H]1Oc2ccc(NC(=O)Cc3ccccc3)cc2CN(Cc2ccccc2)C1=O ZINC000035873026 569064190 /nfs/dbraw/zinc/06/41/90/569064190.db2.gz HMLLWCZZOYWKFI-HSZRJFAPSA-N 0 0 414.505 4.568 50 0 HJAARN CC[C@@H]1Oc2ccc(NC(=O)C(C)C)cc2CN([C@H]2CCCc3ccccc32)C1=O ZINC000035874075 569064233 /nfs/dbraw/zinc/06/42/33/569064233.db2.gz ITUJOLLUPAHYIP-VXKWHMMOSA-N 0 0 406.526 4.858 50 0 HJAARN Cc1c(O)ccc2c(CSc3nnc(C4CC4)n3Cc3ccccc3)cc(=O)oc12 ZINC000006531875 569064253 /nfs/dbraw/zinc/06/42/53/569064253.db2.gz VODPEPUWTVUQKW-UHFFFAOYSA-N 0 0 419.506 4.617 50 0 HJAARN CC[C@@H]1Oc2ccc(NC(=O)C3CCCC3)cc2CN(Cc2ccc(F)cc2)C1=O ZINC000035883989 569064566 /nfs/dbraw/zinc/06/45/66/569064566.db2.gz FZXXUZLTKQCOBI-NRFANRHFSA-N 0 0 410.489 4.654 50 0 HJAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc(Br)ccc1Cl ZINC000006552775 569065326 /nfs/dbraw/zinc/06/53/26/569065326.db2.gz IVFLUJDMHUPHBP-UHFFFAOYSA-N 0 0 410.695 4.536 50 0 HJAARN Cc1nn(-c2ccccc2)c(Cl)c1COC(=O)c1ccc(Br)cc1 ZINC000006550953 569065382 /nfs/dbraw/zinc/06/53/82/569065382.db2.gz WXEUBNYHPIGMFQ-UHFFFAOYSA-N 0 0 405.679 4.954 50 0 HJAARN CC[C@H](C)Oc1cccc2c1cc(C(=O)N1CCN(CC)CC1)n2Cc1ccccc1 ZINC000035908489 569065475 /nfs/dbraw/zinc/06/54/75/569065475.db2.gz MSOHNOWWNOFBOQ-FQEVSTJZSA-N 0 0 419.569 4.645 50 0 HJAARN C[C@H](c1ccc(F)cc1)N1Cc2cc(NC(=O)c3cccs3)ccc2OCC1=O ZINC000035909666 569065889 /nfs/dbraw/zinc/06/58/89/569065889.db2.gz GXDKYBJGWDTULY-CQSZACIVSA-N 0 0 410.470 4.622 50 0 HJAARN COc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccccc3F)cc2)cc1 ZINC000035910919 569065953 /nfs/dbraw/zinc/06/59/53/569065953.db2.gz HLDXJKFNEDRMOQ-QHCPKHFHSA-N 0 0 422.481 4.865 50 0 HJAARN C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc3ccccc3n2CCc2ccccc2)C1 ZINC000006566853 569066227 /nfs/dbraw/zinc/06/62/27/569066227.db2.gz AFGUNWJQHNEXCI-RTBURBONSA-N 0 0 407.583 4.876 50 0 HJAARN CCCCCn1c(-c2ccc(C(C)(C)C)cc2)nc2c1c(=O)[nH]c(=O)n2CCCC ZINC000006567064 569066276 /nfs/dbraw/zinc/06/62/76/569066276.db2.gz DOURJQAPQCACRF-UHFFFAOYSA-N 0 0 410.562 4.841 50 0 HJAARN C/C=C\Cn1c(C(=O)N2CCN(Cc3ccccc3)CC2)cc2c1cccc2OCC ZINC000035927905 569066503 /nfs/dbraw/zinc/06/65/03/569066503.db2.gz SARREOFEEQVBRN-HYXAFXHYSA-N 0 0 417.553 4.574 50 0 HJAARN CC1CCN(c2nc3nn(-c4ccc(F)cc4)c(N)c3c(-c3ccc(F)cc3)n2)CC1 ZINC000035930098 569066735 /nfs/dbraw/zinc/06/67/35/569066735.db2.gz WQOMNRNVTCSAGA-UHFFFAOYSA-N 0 0 420.467 4.579 50 0 HJAARN CC(=O)c1ccc(O[C@@H](C)C(=O)N(C2=N[C@H](C)CS2)c2ccc(Cl)cc2)cc1 ZINC000006578557 569066923 /nfs/dbraw/zinc/06/69/23/569066923.db2.gz RMJPBKBWSPLBAK-HIFRSBDPSA-N 0 0 416.930 4.834 50 0 HJAARN CCn1c(SCC(=O)Nc2ccccc2)nc2cc(-c3ccccc3)sc2c1=O ZINC000064565407 569067045 /nfs/dbraw/zinc/06/70/45/569067045.db2.gz CLUUEOBPNALOSD-UHFFFAOYSA-N 0 0 421.547 4.876 50 0 HJAARN COc1ccc(Oc2cc(-c3ccc(C(=O)N4CCC(C)CC4)cc3)ncn2)cc1 ZINC000064568522 569067624 /nfs/dbraw/zinc/06/76/24/569067624.db2.gz IDGOWTUGXAIBOM-UHFFFAOYSA-N 0 0 403.482 4.817 50 0 HJAARN Cc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN(C)C(=O)C2CCC2)cc1 ZINC000035949286 569067886 /nfs/dbraw/zinc/06/78/86/569067886.db2.gz SCQKYQYVIXAOHE-DEOSSOPVSA-N 0 0 417.553 4.548 50 0 HJAARN COc1ccccc1Oc1cc(-c2cccc(C(=O)NCc3ccccc3)c2)ncn1 ZINC000064578466 569068197 /nfs/dbraw/zinc/06/81/97/569068197.db2.gz CMSRMABSWTURJU-UHFFFAOYSA-N 0 0 411.461 4.875 50 0 biogenic HJAARN CC(C)Cn1c(=O)c2cc(Cl)ccc2nc1SCC(=O)c1ccccc1F ZINC000006598389 569069325 /nfs/dbraw/zinc/06/93/25/569069325.db2.gz DVXJQGNJATYKSI-UHFFFAOYSA-N 0 0 404.894 4.820 50 0 HJAARN CC(C)c1nn(-c2ccccc2)c(N(C)C)c1CN(C(=O)c1cccs1)C1CC1 ZINC000035972168 569069401 /nfs/dbraw/zinc/06/94/01/569069401.db2.gz HWKCFAOUQXYTKI-UHFFFAOYSA-N 0 0 408.571 4.928 50 0 HJAARN CC(C)CN(Cc1c(C(C)C)nn(-c2ccccc2)c1N(C)C)C(=O)c1ccco1 ZINC000035972055 569069420 /nfs/dbraw/zinc/06/94/20/569069420.db2.gz LSDGPIXVSHPGFY-UHFFFAOYSA-N 0 0 408.546 4.953 50 0 HJAARN CCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C1CC1 ZINC000035972783 569069551 /nfs/dbraw/zinc/06/95/51/569069551.db2.gz FJAXYAXBXMRAAQ-UHFFFAOYSA-N 0 0 405.498 4.883 50 0 HJAARN CCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(C)C ZINC000035978700 569069759 /nfs/dbraw/zinc/06/97/59/569069759.db2.gz BYRJGPJSDIRUDK-UHFFFAOYSA-N 0 0 410.493 4.958 50 0 HJAARN CC(C)Nc1nnc(SCC(=O)N(Cc2ccccc2)Cc2ccccc2)s1 ZINC000006602212 569069980 /nfs/dbraw/zinc/06/99/80/569069980.db2.gz BIWMAQNZXWOUFV-UHFFFAOYSA-N 0 0 412.584 4.680 50 0 HJAARN Cc1sc2nc(CN3CCC[C@H]3c3cccc(Br)c3)[nH]c(=O)c2c1C ZINC000089562940 569070298 /nfs/dbraw/zinc/07/02/98/569070298.db2.gz LEADCWDEDSRVFO-HNNXBMFYSA-N 0 0 418.360 4.701 50 0 HJAARN Cc1ccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000016689796 569070543 /nfs/dbraw/zinc/07/05/43/569070543.db2.gz YVOANIYRTYKMGW-QAPCUYQASA-N 0 0 408.527 4.886 50 0 HJAARN Cc1ccc(-c2noc(-c3cccc(S(=O)(=O)N(C)Cc4ccccc4)c3)n2)cc1 ZINC000064610875 569071277 /nfs/dbraw/zinc/07/12/77/569071277.db2.gz HWLJYLKYMVOYLU-UHFFFAOYSA-N 0 0 419.506 4.533 50 0 HJAARN O=S(=O)(NCCC1=CCCCC1)c1cccc(-c2nc(-c3ccccc3)no2)c1 ZINC000064610815 569071311 /nfs/dbraw/zinc/07/13/11/569071311.db2.gz ILCJKMPPFOMCJD-UHFFFAOYSA-N 0 0 409.511 4.572 50 0 HJAARN O=C(NCc1ccc(Cl)cc1Cl)c1ccc(I)cc1 ZINC000004828589 569071518 /nfs/dbraw/zinc/07/15/18/569071518.db2.gz JXCOIYGYROTANP-UHFFFAOYSA-N 0 0 406.050 4.528 50 0 HJAARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)cc1 ZINC000004954613 569071657 /nfs/dbraw/zinc/07/16/57/569071657.db2.gz XXNTYTAZYOKGDY-UHFFFAOYSA-N 0 0 416.934 4.748 50 0 HJAARN CCOc1ccc(NC(=O)Cn2c3ccccc3nc2NCc2ccccc2)cc1 ZINC000006609232 569071954 /nfs/dbraw/zinc/07/19/54/569071954.db2.gz UPWTTZOMRZQXQQ-UHFFFAOYSA-N 0 0 400.482 4.686 50 0 HJAARN CCCC[C@H]1CCCN1C(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 ZINC000426389275 569072618 /nfs/dbraw/zinc/07/26/18/569072618.db2.gz PRVKIVFDGVRKLD-KRWDZBQOSA-N 0 0 401.576 4.706 50 0 HJAARN CCCC[C@@H]1CCCN1C(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 ZINC000426389276 569072663 /nfs/dbraw/zinc/07/26/63/569072663.db2.gz PRVKIVFDGVRKLD-QGZVFWFLSA-N 0 0 401.576 4.706 50 0 HJAARN Cc1cc(N2CC[C@@]3(C2)CCCN(Cc2ccccc2F)C3=O)nc2ccccc12 ZINC000426395156 569072701 /nfs/dbraw/zinc/07/27/01/569072701.db2.gz JBMQFFAJNVILHO-RUZDIDTESA-N 0 0 403.501 4.701 50 0 HJAARN Cc1ccc(-c2ncc(C(=O)NCc3ccc(F)cc3)c(N3CCC(C)CC3)n2)cc1 ZINC000035987997 569074194 /nfs/dbraw/zinc/07/41/94/569074194.db2.gz MFRLFBZJUHQWBV-UHFFFAOYSA-N 0 0 418.516 4.757 50 0 HJAARN COCCn1c2ccccc2nc1SCc1nc(-c2ccc(Cl)cc2)no1 ZINC000006610523 569074197 /nfs/dbraw/zinc/07/41/97/569074197.db2.gz WDJPJJKNDJIIML-UHFFFAOYSA-N 0 0 400.891 4.678 50 0 HJAARN Cc1ccc(F)cc1NC(=O)COC(=O)CCCSc1nc2ccccc2s1 ZINC000006625547 569075866 /nfs/dbraw/zinc/07/58/66/569075866.db2.gz SOPSOIAJVWBEJW-UHFFFAOYSA-N 0 0 418.515 4.798 50 0 HJAARN Cc1cccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2cc(F)ccc2F)c1 ZINC000064657040 569077154 /nfs/dbraw/zinc/07/71/54/569077154.db2.gz VDVQVERSYHRLCY-HNNXBMFYSA-N 0 0 419.474 4.642 50 0 HJAARN CCCN(CC(=O)Nc1ccccc1C)[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000006638217 569077262 /nfs/dbraw/zinc/07/72/62/569077262.db2.gz CZIOUGBWFBOVFG-IBGZPJMESA-N 0 0 403.526 4.826 50 0 HJAARN CCOC(=O)c1cc2ccsc2n1[C@H](CC)C(=O)Nc1cc(C)ccc1OC 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/nfs/dbraw/zinc/08/90/26/569089026.db2.gz IKRGQHQGYASDHN-QGZVFWFLSA-N 0 0 414.412 4.701 50 0 HJAARN COc1ccc(NS(=O)(=O)c2cccc(-c3nc(-c4ccc(C)cc4)no3)c2)cc1 ZINC000064747782 569089113 /nfs/dbraw/zinc/08/91/13/569089113.db2.gz RDNCSRJZRCUJAT-UHFFFAOYSA-N 0 0 421.478 4.521 50 0 HJAARN CCN1c2ccc(CNC(=O)c3sccc3C)cc2Sc2ncccc2C1=O ZINC000064759590 569090949 /nfs/dbraw/zinc/09/09/49/569090949.db2.gz KQCMSVBUZXVGKB-UHFFFAOYSA-N 0 0 409.536 4.513 50 0 HJAARN CCc1ccccc1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC ZINC000064762058 569091942 /nfs/dbraw/zinc/09/19/42/569091942.db2.gz MIJGKWQVUZDDSF-UHFFFAOYSA-N 0 0 406.507 4.697 50 0 HJAARN COCCN(Cc1csc(COc2cc(C)cc(C)c2)n1)C(=O)Cc1ccccc1 ZINC000036105237 569092790 /nfs/dbraw/zinc/09/27/90/569092790.db2.gz YWLDTLRNDZRCPE-UHFFFAOYSA-N 0 0 424.566 4.557 50 0 HJAARN COc1ccccc1OCc1nc(CN(C(=O)c2ccccc2F)C(C)C)cs1 ZINC000036105719 569092831 /nfs/dbraw/zinc/09/28/31/569092831.db2.gz FMZYLTGEUYFUFG-UHFFFAOYSA-N 0 0 414.502 4.921 50 0 HJAARN COCCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1ccccc1 ZINC000036106897 569093166 /nfs/dbraw/zinc/09/31/66/569093166.db2.gz CJFDMXCZKNZWSV-UHFFFAOYSA-N 0 0 410.539 4.628 50 0 HJAARN Cc1ccc(NC(=O)c2cnc3scc(-c4ccc(F)cc4)n3c2=O)cc1Cl ZINC000064787896 569094314 /nfs/dbraw/zinc/09/43/14/569094314.db2.gz SLGJDONYOCYXKI-UHFFFAOYSA-N 0 0 413.861 4.776 50 0 HJAARN CCNC(=O)N(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)[C@H](C)C(C)C ZINC000006722763 569099790 /nfs/dbraw/zinc/09/97/90/569099790.db2.gz NFUKFERYSOUFAH-QGZVFWFLSA-N 0 0 404.599 4.703 50 0 HJAARN CCNC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccccc2)C(=O)C(CC)CC)c1 ZINC000006709179 569095539 /nfs/dbraw/zinc/09/55/39/569095539.db2.gz APVGHQFMHMKPMA-UHFFFAOYSA-N 0 0 424.589 4.859 50 0 HJAARN CCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2cccs2)[C@H](C)C(C)C)c1 ZINC000006722486 569099582 /nfs/dbraw/zinc/09/95/82/569099582.db2.gz OAIPLKQLEYZCLN-MRXNPFEDSA-N 0 0 401.576 4.850 50 0 HJAARN CN(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccccc3)c2)cc1 ZINC000006724547 569100188 /nfs/dbraw/zinc/10/01/88/569100188.db2.gz KPVCIVDTZHHJCD-XMMPIXPASA-N 0 0 417.534 4.784 50 0 HJAARN CN(C)c1ccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)C3CCCC3)c2)cc1 ZINC000006724596 569100221 /nfs/dbraw/zinc/10/02/21/569100221.db2.gz HTOUAZLYXRNVCR-HSZRJFAPSA-N 0 0 409.555 4.660 50 0 HJAARN CCCN(Cc1cc(NC(=O)c2ccco2)ccc1N(C)C)C(=O)c1cccc(C)c1 ZINC000006723254 569100311 /nfs/dbraw/zinc/10/03/11/569100311.db2.gz ZRGQKUAIRWNCBN-UHFFFAOYSA-N 0 0 419.525 4.959 50 0 HJAARN CCN1c2ccc(F)cc2[C@@]2(SC(C)(C)CN2C(=O)Nc2cccc(F)c2)C1=O ZINC000036151245 569100509 /nfs/dbraw/zinc/10/05/09/569100509.db2.gz ZTLFOYUNJUQTCC-OAQYLSRUSA-N 0 0 417.481 4.544 50 0 HJAARN CCN1c2ccc(F)cc2[C@]2(SC(C)(C)CN2C(=O)Nc2ccccc2F)C1=O ZINC000036151240 569100543 /nfs/dbraw/zinc/10/05/43/569100543.db2.gz CYQHTSNOVSUFEY-NRFANRHFSA-N 0 0 417.481 4.544 50 0 HJAARN Cc1ccc(NC(=O)N2CC(C)(C)S[C@]23C(=O)Nc2ccc(Cl)cc23)cc1 ZINC000036153530 569101396 /nfs/dbraw/zinc/10/13/96/569101396.db2.gz KGJXJPDUHOCTSP-HXUWFJFHSA-N 0 0 401.919 4.813 50 0 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/nfs/dbraw/zinc/10/62/68/569106268.db2.gz KWTZYWSAGVJLBV-UHFFFAOYSA-N 0 0 406.511 4.511 50 0 HJAARN CCn1c(C(=O)N2CCCC[C@@H]2c2cccnc2)cc2c1c1ccccc1oc2=O ZINC000064839036 569106400 /nfs/dbraw/zinc/10/64/00/569106400.db2.gz LHWVQAGXHSPZAV-LJQANCHMSA-N 0 0 401.466 4.530 50 0 HJAARN O=C(Nc1ccccc1[C@H]1SCC(=O)N1c1ccc(F)cc1)c1ccc(F)cc1 ZINC000006740256 569106512 /nfs/dbraw/zinc/10/65/12/569106512.db2.gz JIPPLZWDQAVYAW-JOCHJYFZSA-N 0 0 410.445 4.996 50 0 HJAARN Cc1cc(C)c2c(c1)oc1c(c2=O)[C@H](c2ccccc2F)N(CCCOC(C)C)C1=O ZINC000006743365 569108134 /nfs/dbraw/zinc/10/81/34/569108134.db2.gz IZAOKGYIKINRKL-QFIPXVFZSA-N 0 0 423.484 4.909 50 0 aggregator HJAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(C(=O)c3c(F)cccc3F)CC1)N2 ZINC000064858624 569109208 /nfs/dbraw/zinc/10/92/08/569109208.db2.gz TZYMUFUFITVWFH-UHFFFAOYSA-N 0 0 407.464 4.929 50 0 biogenic HJAARN COc1cccc(CC(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)c1 ZINC000064858574 569109242 /nfs/dbraw/zinc/10/92/42/569109242.db2.gz LPIDQHUHLOTBCJ-UHFFFAOYSA-N 0 0 415.537 4.589 50 0 biogenic HJAARN CC(C)CCN(Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1)C[C@H](C)O ZINC000036207790 569109681 /nfs/dbraw/zinc/10/96/81/569109681.db2.gz NPRZMJQSPQFJLC-AWEZNQCLSA-N 0 0 419.978 4.534 50 0 HJAARN CCCCNC(=O)[C@H](CC)n1c2cnccc2nc1SCc1cccc(F)c1 ZINC000006752243 569110203 /nfs/dbraw/zinc/11/02/03/569110203.db2.gz ZVVQMOWBYHYZQZ-SFHVURJKSA-N 0 0 400.523 4.730 50 0 HJAARN CC[C@@H](C(=O)NC1CCCC1)n1c2cnccc2nc1SCc1ccc(OC)cc1 ZINC000006752293 569110311 /nfs/dbraw/zinc/11/03/11/569110311.db2.gz INOGWEJECZAQLN-FQEVSTJZSA-N 0 0 424.570 4.742 50 0 HJAARN CCNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2)cc1 ZINC000006752393 569110386 /nfs/dbraw/zinc/11/03/86/569110386.db2.gz MKHGTZCXWNJBBX-UHFFFAOYSA-N 0 0 402.523 4.522 50 0 HJAARN O=C(c1ccco1)N(Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000006753749 569110718 /nfs/dbraw/zinc/11/07/18/569110718.db2.gz PCKBGTUBTBFAEQ-KRWDZBQOSA-N 0 0 412.848 4.908 50 0 HJAARN Cn1c(SCc2cccc(C(F)(F)F)c2)nnc1[C@@H]1COc2ccccc2O1 ZINC000036209656 569110851 /nfs/dbraw/zinc/11/08/51/569110851.db2.gz ZTQVFURDRKLSJM-INIZCTEOSA-N 0 0 407.417 4.639 50 0 HJAARN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1cccnc1Oc1ccccc1)CC2 ZINC000006756278 569111901 /nfs/dbraw/zinc/11/19/01/569111901.db2.gz KWKOLZNQXQHHLW-MRXNPFEDSA-N 0 0 404.466 4.651 50 0 HJAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCc1ccco1)OC1(CCCCC1)CC3 ZINC000006759466 569112897 /nfs/dbraw/zinc/11/28/97/569112897.db2.gz PDCQVJRRJKYJLQ-UHFFFAOYSA-N 0 0 421.493 4.581 50 0 HJAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000064871924 569113616 /nfs/dbraw/zinc/11/36/16/569113616.db2.gz ITCIOWVJWOZHON-UHFFFAOYSA-N 0 0 420.943 4.787 50 0 HJAARN Cc1cc(C)cc(NC(=O)C2CCN(c3cc(-c4cccc(F)c4)ncn3)CC2)c1 ZINC000064872929 569113771 /nfs/dbraw/zinc/11/37/71/569113771.db2.gz SJJGQSHURGIHKR-UHFFFAOYSA-N 0 0 404.489 4.755 50 0 HJAARN Cc1ccc(-c2cc(N3CCC(C(=O)Nc4ccc(C)cc4C)CC3)ncn2)cc1 ZINC000064872845 569113802 /nfs/dbraw/zinc/11/38/02/569113802.db2.gz UKBHRXWGLYAMAT-UHFFFAOYSA-N 0 0 400.526 4.924 50 0 HJAARN Cc1cccc([N-][C@@]2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCCC3)C2=O)[nH+]1 ZINC000006760709 569114031 /nfs/dbraw/zinc/11/40/31/569114031.db2.gz CJGJLPUSYKKRNX-OAQYLSRUSA-N 0 0 416.447 4.682 50 0 HJAARN O=C(Cc1ccc(Cl)cc1)NCCn1c(CCc2ccccc2)nc2ccccc21 ZINC000064888005 569115272 /nfs/dbraw/zinc/11/52/72/569115272.db2.gz GGKCEYDBAMYISF-UHFFFAOYSA-N 0 0 417.940 4.834 50 0 HJAARN COc1ccc(OC)c(NC(=O)NCc2c3c(sc2-n2cccc2)CCCC3)c1 ZINC000006768975 569116057 /nfs/dbraw/zinc/11/60/57/569116057.db2.gz VXYYEOXEKSUQCF-UHFFFAOYSA-N 0 0 411.527 4.757 50 0 HJAARN COc1cc(OC)cc(N(Cc2ccccc2C)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036246317 569116513 /nfs/dbraw/zinc/11/65/13/569116513.db2.gz IHGMEMNDGHRDII-UHFFFAOYSA-N 0 0 411.523 4.716 50 0 HJAARN COc1ccc(N(Cc2ccc(F)cc2F)S(=O)(=O)c2cccc(C)c2)cc1 ZINC000036248183 569117309 /nfs/dbraw/zinc/11/73/09/569117309.db2.gz FFPOQKQDRZULHE-UHFFFAOYSA-N 0 0 403.450 4.677 50 0 HJAARN COc1cccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000036248456 569117555 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ZINC000037356147 569272546 /nfs/dbraw/zinc/27/25/46/569272546.db2.gz LGPGRQPHYMLMJL-QGZVFWFLSA-N 0 0 422.916 4.582 50 0 HJAARN CC(C)CNc1nc2nn(-c3cccc(F)c3)c(N)c2c(-c2ccc(Cl)cc2)n1 ZINC000037357573 569274821 /nfs/dbraw/zinc/27/48/21/569274821.db2.gz GMCQONKZWVRHNA-UHFFFAOYSA-N 0 0 410.884 4.925 50 0 HJAARN COc1ccc(-n2nc3nc(NCC4CC4)nc(-c4ccc(Cl)cc4)c3c2N)cc1 ZINC000037358488 569276705 /nfs/dbraw/zinc/27/67/05/569276705.db2.gz VTNCOSDDXUJQDM-UHFFFAOYSA-N 0 0 420.904 4.549 50 0 HJAARN C[C@H]1S[C@]2(C(=O)Nc3ccccc32)N(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000001060797 569277117 /nfs/dbraw/zinc/27/71/17/569277117.db2.gz UHUUJICAINTWHD-IQMFZBJNSA-N 0 0 402.475 4.752 50 0 HJAARN O=C(NCc1cccs1)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000001062170 569277228 /nfs/dbraw/zinc/27/72/28/569277228.db2.gz HAQFNNSPIUYCPR-HOTGVXAUSA-N 0 0 406.433 4.535 50 0 HJAARN COc1cc(Cl)c(C)cc1NC(=O)c1ccc(I)cc1 ZINC000001120325 569277320 /nfs/dbraw/zinc/27/73/20/569277320.db2.gz UVLMXZQZRQVAJA-UHFFFAOYSA-N 0 0 401.631 4.514 50 0 HJAARN COc1cccc(NC(=O)Cn2cc(C(=O)c3ccccc3F)c3ccccc32)c1 ZINC000002876219 569278255 /nfs/dbraw/zinc/27/82/55/569278255.db2.gz SVRGBRREQTYIBO-UHFFFAOYSA-N 0 0 402.425 4.659 50 0 HJAARN COc1ccccc1CNC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O ZINC000002094185 569280758 /nfs/dbraw/zinc/28/07/58/569280758.db2.gz ASQXLGGZULHKFN-UHFFFAOYSA-N 0 0 419.477 4.722 50 0 biogenic HJAARN COc1ccc([C@H]2CCCCCN2C(=O)Cc2ccn(-c3ccc(F)cc3)n2)cc1 ZINC000170640116 569281999 /nfs/dbraw/zinc/28/19/99/569281999.db2.gz SIGXWLIMRSFKON-HSZRJFAPSA-N 0 0 407.489 4.706 50 0 HJAARN CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1cccnc1 ZINC000002233370 569282631 /nfs/dbraw/zinc/28/26/31/569282631.db2.gz QDWOAQLWUFAOEM-UHFFFAOYSA-N 0 0 415.522 4.758 50 0 HJAARN Nc1c2c(nn1-c1ccc(F)cc1)nc(NCC1CC1)nc2-c1cccc(Cl)c1 ZINC000037360354 569283493 /nfs/dbraw/zinc/28/34/93/569283493.db2.gz FQZRQHABDSVGLG-UHFFFAOYSA-N 0 0 408.868 4.679 50 0 HJAARN Cc1cccc(-c2nc(NCCc3ccccc3)nc3nn(C(C)(C)C)c(N)c32)c1 ZINC000037360662 569283562 /nfs/dbraw/zinc/28/35/62/569283562.db2.gz PRMDZWXDUPIPDR-UHFFFAOYSA-N 0 0 400.530 4.794 50 0 HJAARN CCCCOc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OCC ZINC000002108658 569283707 /nfs/dbraw/zinc/28/37/07/569283707.db2.gz HXKJTQQHPPEFCK-ZUSJUXBOSA-N 0 0 420.553 4.901 50 0 biogenic HJAARN Cc1ccc(Cn2ccccc2=NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cc1 ZINC000252467313 569287113 /nfs/dbraw/zinc/28/71/13/569287113.db2.gz CFGGSUBEHLOTBJ-UHFFFAOYSA-N 0 0 402.885 4.629 50 0 HJAARN COc1ccc(C(=O)N[C@H](Nc2ccc(C)cc2)C(Cl)(Cl)Cl)cc1OC ZINC000001151666 569287781 /nfs/dbraw/zinc/28/77/81/569287781.db2.gz XMMJWOWEXKRROE-KRWDZBQOSA-N 0 0 417.720 4.550 50 0 HJAARN COc1cccc(N2CCN(c3cc(Oc4ccc(Cl)c(C)c4)ncn3)CC2)c1 ZINC000037376947 569288116 /nfs/dbraw/zinc/28/81/16/569288116.db2.gz FBUJUYJDZBMLCQ-UHFFFAOYSA-N 0 0 410.905 4.566 50 0 HJAARN O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000002544881 569288396 /nfs/dbraw/zinc/28/83/96/569288396.db2.gz QBVZRBLUGKTHDS-UHFFFAOYSA-N 0 0 417.079 4.649 50 0 HJAARN Cc1oc2cc3oc(=O)c(CCC(=O)NCCc4ccccc4)c(C)c3cc2c1C ZINC000002149832 569289959 /nfs/dbraw/zinc/28/99/59/569289959.db2.gz BTBNSYNIMGOAHS-UHFFFAOYSA-N 0 0 403.478 4.756 50 0 biogenic HJAARN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccccc1)N(c1nccs1)C3=O ZINC000010233028 569291333 /nfs/dbraw/zinc/29/13/33/569291333.db2.gz VPWLOMPJJXECBW-KRWDZBQOSA-N 0 0 408.866 4.961 50 0 HJAARN C[C@@H](SC1=Nc2ccccc2[C@@H]2CC=NN12)C(=O)Nc1ccc(F)c(F)c1F ZINC000012599042 569291621 /nfs/dbraw/zinc/29/16/21/569291621.db2.gz ZLPVFGREDVACQK-BMIGLBTASA-N 0 0 404.417 4.598 50 0 HJAARN C[C@H](SC1=Nc2ccccc2[C@@H]2CC=NN12)C(=O)Nc1ccc(F)c(F)c1F ZINC000012599043 569291640 /nfs/dbraw/zinc/29/16/40/569291640.db2.gz ZLPVFGREDVACQK-BONVTDFDSA-N 0 0 404.417 4.598 50 0 HJAARN CN(C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000252537160 569293013 /nfs/dbraw/zinc/29/30/13/569293013.db2.gz KMJFAIBCLOGSOU-FVQBIDKESA-N 0 0 410.461 4.714 50 0 HJAARN CCc1cccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)c1 ZINC000007615991 569295754 /nfs/dbraw/zinc/29/57/54/569295754.db2.gz XNXAJODVOMNTKM-UHFFFAOYSA-N 0 0 417.896 4.918 50 0 HJAARN CCC[C@@H](C(=O)NCc1ccccn1)n1c(Cc2ccccc2F)nc2ccccc21 ZINC000037396791 569296327 /nfs/dbraw/zinc/29/63/27/569296327.db2.gz UJKHNJUKIPYOKF-QHCPKHFHSA-N 0 0 416.500 4.819 50 0 HJAARN Cc1cc(C(=O)COC(=O)c2cc(F)c(F)cc2Cl)c(C)n1-c1nccs1 ZINC000007646427 569298377 /nfs/dbraw/zinc/29/83/77/569298377.db2.gz PQIJDEZVEHYNEY-UHFFFAOYSA-N 0 0 410.829 4.522 50 0 HJAARN Cc1ccc(Nc2nnc(SCC(=O)N[C@H](C)c3ccc(F)cc3)s2)cc1 ZINC000007654603 569299106 /nfs/dbraw/zinc/29/91/06/569299106.db2.gz SHCIXVMKROKTNT-CYBMUJFWSA-N 0 0 402.520 4.699 50 0 HJAARN COc1ccccc1N(c1nc(-c2ccc(C)cc2)cs1)[C@@H](C)C(=O)NC1CC1 ZINC000037439912 569299561 /nfs/dbraw/zinc/29/95/61/569299561.db2.gz YPTSKNPREITYIP-INIZCTEOSA-N 0 0 407.539 4.932 50 0 HJAARN O=C(c1cccc(F)c1)N(Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037440962 569299579 /nfs/dbraw/zinc/29/95/79/569299579.db2.gz KOPMYJKLMNOOMC-QFIPXVFZSA-N 0 0 424.422 4.940 50 0 HJAARN O=C(c1cccc(F)c1)N(Cc1ccc(F)cc1)C[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000037441912 569299694 /nfs/dbraw/zinc/29/96/94/569299694.db2.gz HFIBQQTTYHBFJF-JOCHJYFZSA-N 0 0 424.422 4.940 50 0 HJAARN CCNC(=O)N(Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037441749 569299774 /nfs/dbraw/zinc/29/97/74/569299774.db2.gz FKMLWOXNKGTXKK-INIZCTEOSA-N 0 0 424.303 4.857 50 0 HJAARN CCN(CC)C(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 ZINC000007668515 569299815 /nfs/dbraw/zinc/29/98/15/569299815.db2.gz ARRVMXXJRVPCAR-UHFFFAOYSA-N 0 0 412.917 4.711 50 0 HJAARN COc1ccc(C(C)=O)cc1Cn1cnc2scc(-c3ccc(C)s3)c2c1=O ZINC000007671926 569299949 /nfs/dbraw/zinc/29/99/49/569299949.db2.gz ORSIPWSOMWZVIA-UHFFFAOYSA-N 0 0 410.520 4.754 50 0 HJAARN Cc1ccc(SCC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)c(C)c1 ZINC000007677475 569300315 /nfs/dbraw/zinc/30/03/15/569300315.db2.gz AEBCRMDWEZGIKH-UHFFFAOYSA-N 0 0 408.523 4.582 50 0 HJAARN COc1ccc(OC)c([C@H]2CCCN2CC(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000007717472 569301909 /nfs/dbraw/zinc/30/19/09/569301909.db2.gz YJCQYBUTPCGMLQ-GOSISDBHSA-N 0 0 409.313 4.786 50 0 HJAARN Cc1c(Cl)cccc1N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)[C@H](C)C1=O ZINC000037520011 569302818 /nfs/dbraw/zinc/30/28/18/569302818.db2.gz JPTUYFODQLQPHU-GFCCVEGCSA-N 0 0 411.716 4.833 50 0 HJAARN C[C@H]1C(=O)N(c2ccc(Cl)cc2Cl)CCN1C(=O)Nc1cccc(Cl)c1 ZINC000037523052 569303362 /nfs/dbraw/zinc/30/33/62/569303362.db2.gz DGACSNVVFLNYNP-NSHDSACASA-N 0 0 412.704 4.916 50 0 HJAARN O=C(c1cc(F)c(F)cc1Cl)N(Cc1cccnc1)c1ccc2c(c1)OCO2 ZINC000007734577 569304437 /nfs/dbraw/zinc/30/44/37/569304437.db2.gz UEVPJDBCZMACQT-UHFFFAOYSA-N 0 0 402.784 4.589 50 0 HJAARN COc1ccc(C(C)=O)cc1CC(=O)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000007737740 569304956 /nfs/dbraw/zinc/30/49/56/569304956.db2.gz NKPBMRJVFXYRJW-UHFFFAOYSA-N 0 0 406.916 4.917 50 0 HJAARN CCCNC(=O)c1cc2sc(Br)cc2n1Cc1ccccc1OC ZINC000037542661 569305254 /nfs/dbraw/zinc/30/52/54/569305254.db2.gz COYAXDXTGBURPG-UHFFFAOYSA-N 0 0 407.333 4.662 50 0 HJAARN CCc1ccccc1-n1cc2c(c1-c1ccc(C(C)(C)C)cc1)c(=O)n(C)c(=O)n2C ZINC000002210456 569306831 /nfs/dbraw/zinc/30/68/31/569306831.db2.gz PFSPMFDKKRCQFB-UHFFFAOYSA-N 0 0 415.537 4.555 50 0 HJAARN Cc1ccc(-n2c(=O)c3ccccc3nc2SCc2cn3cccc(C)c3n2)cc1 ZINC000007755918 569307220 /nfs/dbraw/zinc/30/72/20/569307220.db2.gz DYIULECKNPGUOW-UHFFFAOYSA-N 0 0 412.518 4.943 50 0 HJAARN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)C=Cc2ccccc2)c1 ZINC000002212895 569307811 /nfs/dbraw/zinc/30/78/11/569307811.db2.gz MRCRGXIFZHXGJK-FMIVXFBMSA-N 0 0 401.919 4.605 50 0 HJAARN O=C(Cc1cccc(N(Cc2ccccc2)C(=O)c2cccs2)c1)NCC1CC1 ZINC000037600523 569309097 /nfs/dbraw/zinc/30/90/97/569309097.db2.gz XTKMYEKXALVKCR-UHFFFAOYSA-N 0 0 404.535 4.664 50 0 HJAARN Cc1cccc(OC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)c1 ZINC000007779840 569309467 /nfs/dbraw/zinc/30/94/67/569309467.db2.gz PLEGPDAYFUSPBN-UHFFFAOYSA-N 0 0 415.898 4.693 50 0 HJAARN CCOc1ccc(CCNC(=O)c2ccc(C3SCCS3)cc2)cc1OCC ZINC000007780801 569310050 /nfs/dbraw/zinc/31/00/50/569310050.db2.gz QXEWLPDVJMBEOC-UHFFFAOYSA-N 0 0 417.596 4.935 50 0 HJAARN COc1ccc(-c2nc(-c3ccc(CC[C@H](C)NC(C)=O)cc3)cs2)cc1OC ZINC000007785509 569310267 /nfs/dbraw/zinc/31/02/67/569310267.db2.gz UMLZMWJWDGJNTJ-HNNXBMFYSA-N 0 0 410.539 4.952 50 0 HJAARN Cc1ccc(C)c(NC(=O)CN(C)C(=O)CC(c2ccccc2)c2ccccc2)c1 ZINC000007796677 569311049 /nfs/dbraw/zinc/31/10/49/569311049.db2.gz ZXLCBDDRIQOVNJ-UHFFFAOYSA-N 0 0 400.522 4.923 50 0 HJAARN CCC(=O)c1ccc(OCC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1 ZINC000007800056 569311058 /nfs/dbraw/zinc/31/10/58/569311058.db2.gz OIULHOCKZBQIRY-UHFFFAOYSA-N 0 0 408.479 4.623 50 0 HJAARN Cc1cccc(-c2nnc(SCC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)o2)c1 ZINC000007834423 569314011 /nfs/dbraw/zinc/31/40/11/569314011.db2.gz SHHMNWKYILSEIJ-MRXNPFEDSA-N 0 0 407.539 4.893 50 0 HJAARN COc1ccc(-c2noc(CCCCCNC(=O)c3ccc(Cl)cc3F)n2)cc1 ZINC000007845443 569314300 /nfs/dbraw/zinc/31/43/00/569314300.db2.gz AKXIXZVNJZBUDT-UHFFFAOYSA-N 0 0 417.868 4.681 50 0 HJAARN Fc1cccc(Cl)c1[C@H]1C=C(c2ccc(Br)cc2)Nc2nnnn21 ZINC000002231529 569319802 /nfs/dbraw/zinc/31/98/02/569319802.db2.gz ZMUUQBLTTAIDES-CQSZACIVSA-N 0 0 406.646 4.881 50 0 HJAARN O=c1c2c3c(sc2n(Cc2ccccc2)c(=O)n1-c1ccc(Cl)cc1)CCCC3 ZINC000002233546 569320071 /nfs/dbraw/zinc/32/00/71/569320071.db2.gz XYKCIQPGKOTVGB-UHFFFAOYSA-N 0 0 422.937 4.794 50 0 HJAARN CCOC(=O)c1cccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)c1 ZINC000002233139 569320087 /nfs/dbraw/zinc/32/00/87/569320087.db2.gz YJSKZRASHWAGAZ-UHFFFAOYSA-N 0 0 400.463 4.874 50 0 HJAARN O=S(=O)(c1ccccc1)N1CCS[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000000629174 569320269 /nfs/dbraw/zinc/32/02/69/569320269.db2.gz AWDHSJXUCMFBKP-QFIPXVFZSA-N 0 0 411.548 4.702 50 0 HJAARN O=C(Oc1cccc2cccnc21)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001138659 569321926 /nfs/dbraw/zinc/32/19/26/569321926.db2.gz VEWUYVAEKVSIEP-UHFFFAOYSA-N 0 0 423.877 4.940 50 0 HJAARN COc1ccc(/C=C2/SC(=O)N(CNc3ccccc3Br)C2=O)cc1 ZINC000003101231 569323005 /nfs/dbraw/zinc/32/30/05/569323005.db2.gz NEYWRZONYSXWTP-MHWRWJLKSA-N 0 0 419.300 4.564 50 0 HJAARN CCOc1ccc(-n2c(N)c(C(=O)OC(C)(C)C)c3nc4ccccc4nc32)cc1 ZINC000002246756 569324250 /nfs/dbraw/zinc/32/42/50/569324250.db2.gz BKIIDJXRQLAFRU-UHFFFAOYSA-N 0 0 404.470 4.510 50 0 HJAARN COc1ccccc1[C@@H]1c2c(oc3ccccc3c2=O)C(=O)N1c1nc(C)c(C)s1 ZINC000002258183 569325031 /nfs/dbraw/zinc/32/50/31/569325031.db2.gz MVXYPLGTJSADJY-LJQANCHMSA-N 0 0 418.474 4.625 50 0 HJAARN C[C@@H](NC(=O)C(Cc1ccccc1)C(=O)N[C@H](C)c1ccccc1)c1ccccc1 ZINC000002258861 569325042 /nfs/dbraw/zinc/32/50/42/569325042.db2.gz ZJWXXRKVVWUDSC-WOJBJXKFSA-N 0 0 400.522 4.600 50 0 HJAARN CC[C@@H](COC(=O)Nc1ccccc1)N1C(=O)CS[C@H]1c1ccc(Cl)cc1 ZINC000002266335 569325789 /nfs/dbraw/zinc/32/57/89/569325789.db2.gz OEOUKJYIXQKSIE-HKUYNNGSSA-N 0 0 404.919 4.941 50 0 HJAARN CCOC(=O)CSc1nnc(-c2ccc(Br)cc2)c2ccccc21 ZINC000019898044 569357403 /nfs/dbraw/zinc/35/74/03/569357403.db2.gz GFCHMWGYDUZLNS-UHFFFAOYSA-N 0 0 403.301 4.715 50 0 HJAARN CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CC=C4CC5(CC[C@]4(C)[C@@H]3CC[C@@]21C)OCCO5 ZINC000071770526 569359067 /nfs/dbraw/zinc/35/90/67/569359067.db2.gz BSQMPBUBHHDZDS-SCJYBBROSA-N 0 0 416.558 4.583 50 0 HJAARN c1coc(-c2nc3sc4c(ncnc4NC[C@@H]4CCCO4)c3c3c2CCCC3)c1 ZINC000002282847 569364254 /nfs/dbraw/zinc/36/42/54/569364254.db2.gz HMSPLHJLDJASAW-ZDUSSCGKSA-N 0 0 406.511 4.969 50 0 HJAARN O=c1c2ccccc2nc(-c2ccccc2F)n1NCc1cccc(Br)c1 ZINC000027531323 569366910 /nfs/dbraw/zinc/36/69/10/569366910.db2.gz JJAYACPCAONKES-UHFFFAOYSA-N 0 0 424.273 4.709 50 0 HJAARN Cc1ccc(-c2c(=O)n(OCc3ccc(C(C)(C)C)cc3)c3ccccc3[n+]2[O-])cc1 ZINC000002319856 569374557 /nfs/dbraw/zinc/37/45/57/569374557.db2.gz LYBDRPJELMHWQV-UHFFFAOYSA-N 0 0 414.505 4.537 50 0 HJAARN CCOC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000253530776 569382644 /nfs/dbraw/zinc/38/26/44/569382644.db2.gz ZFVNCIMEWULGEX-CNPWFDRJSA-N 0 0 420.634 4.956 50 0 biogenic HJAARN O=C(CC1(n2cccc2)CCSCC1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000252503368 569387784 /nfs/dbraw/zinc/38/77/84/569387784.db2.gz VCTJBQVLVWTLFV-HXUWFJFHSA-N 0 0 408.571 4.731 50 0 HJAARN COc1c(Cl)cc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1Cl ZINC000002365249 569388080 /nfs/dbraw/zinc/38/80/80/569388080.db2.gz KJTBDOUXWWYFDF-UHFFFAOYSA-N 0 0 413.326 4.684 50 0 HJAARN O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)NCCc1nc2ccccc2[nH]1 ZINC000253409866 569388909 /nfs/dbraw/zinc/38/89/09/569388909.db2.gz MOCJKTDWEYEZIJ-SFHVURJKSA-N 0 0 406.917 4.551 50 0 HJAARN CSCC[C@@H](NC(=O)c1ccc(Br)cc1)c1nc2ccccc2[nH]1 ZINC000002373307 569389240 /nfs/dbraw/zinc/38/92/40/569389240.db2.gz YWMUJPSEEODPPI-MRXNPFEDSA-N 0 0 404.333 4.550 50 0 HJAARN CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1I ZINC000002377740 569389550 /nfs/dbraw/zinc/38/95/50/569389550.db2.gz LVXGPZSNDWXDTE-UHFFFAOYSA-N 0 0 400.256 4.974 50 0 HJAARN O=C1CS[C@@]2(c3ccccc3N(Cc3cccc(Cl)c3)C2=O)N1c1ccccc1 ZINC000008856981 569390614 /nfs/dbraw/zinc/39/06/14/569390614.db2.gz CEPNFXAJWHMBPV-HSZRJFAPSA-N 0 0 420.921 4.820 50 0 HJAARN C[C@H](O)CNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 ZINC000002388820 569392429 /nfs/dbraw/zinc/39/24/29/569392429.db2.gz JGHSMYUMZVAXTQ-ZDUSSCGKSA-N 0 0 420.538 4.551 50 0 HJAARN COC(=O)C[C@H](NC(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000009389981 569392603 /nfs/dbraw/zinc/39/26/03/569392603.db2.gz JBZJIOMOHMZEHS-VMSUTVGLSA-N 0 0 411.807 4.793 50 0 HJAARN CCCCc1cc(=O)oc2cc(OC(=O)CCNC(=O)OC(C)(C)C)c(Cl)cc12 ZINC000002396402 569394331 /nfs/dbraw/zinc/39/43/31/569394331.db2.gz SKIUJARLLTZWOZ-UHFFFAOYSA-N 0 0 423.893 4.609 50 0 HJAARN COc1ccc([C@@H](O)[P@@](=O)(OCc2ccccc2)c2ccc(N(C)C)cc2)cc1 ZINC000002397667 569394572 /nfs/dbraw/zinc/39/45/72/569394572.db2.gz ZBCHVPFBTSZELS-IADCTJSHSA-N 0 0 411.438 4.573 50 0 HJAARN Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Cl)cc2)n1 ZINC000002400062 569395081 /nfs/dbraw/zinc/39/50/81/569395081.db2.gz HERGSDZJBFBGHK-HXUWFJFHSA-N 0 0 402.837 4.900 50 0 HJAARN COc1ccc(-c2c(C)nc(N)nc2-c2ccc(OCc3ccccc3)cc2O)cc1 ZINC000002404887 569395872 /nfs/dbraw/zinc/39/58/72/569395872.db2.gz AQSZWKLESCGBFN-UHFFFAOYSA-N 0 0 413.477 4.994 50 0 HJAARN Cc1ccc(C)c(NC(=O)CN2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(F)cc2)c1 ZINC000002405815 569395956 /nfs/dbraw/zinc/39/59/56/569395956.db2.gz KTVXTLHHFMATLT-IEZKXTBUSA-N 0 0 410.533 4.749 50 0 HJAARN CCCCn1nc(NC(=O)c2ccc(OC)c(OC)c2)c2cc3cc(C)ccc3nc21 ZINC000002410098 569396566 /nfs/dbraw/zinc/39/65/66/569396566.db2.gz HHFMNAVTNDHOKS-UHFFFAOYSA-N 0 0 418.497 4.963 50 0 HJAARN Cc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 ZINC000002417586 569397543 /nfs/dbraw/zinc/39/75/43/569397543.db2.gz CGUVAVYGSRWKBY-ZEQRLZLVSA-N 0 0 410.452 4.938 50 0 HJAARN O=C(NC(=S)Nc1ccc2oc(=O)ccc2c1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000002426291 569398588 /nfs/dbraw/zinc/39/85/88/569398588.db2.gz NWCHCRKWVWTQFJ-UHFFFAOYSA-N 0 0 424.865 4.833 50 0 HJAARN C[C@@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000027873411 569400552 /nfs/dbraw/zinc/40/05/52/569400552.db2.gz LZGJTEMWSDYURM-IIBYNOLFSA-N 0 0 409.917 4.549 50 0 HJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc(F)c2)N1Cc1ccco1 ZINC000002449790 569402882 /nfs/dbraw/zinc/40/28/82/569402882.db2.gz WCQOYIFFQDHUQL-LJQANCHMSA-N 0 0 409.800 4.924 50 0 HJAARN O=C(Nc1nc2ccccc2nc1N1CCCC1)c1ncc(Cl)c(Cl)c1Cl ZINC000012825154 569403970 /nfs/dbraw/zinc/40/39/70/569403970.db2.gz BIPPGCGYVMQUIZ-UHFFFAOYSA-N 0 0 422.703 4.838 50 0 HJAARN CCn1c(COc2cccc(C(F)(F)F)c2)nnc1[S@](=O)Cc1ccc(C)cc1 ZINC000012860951 569404170 /nfs/dbraw/zinc/40/41/70/569404170.db2.gz CTBJQQMEMHHOTG-LJAQVGFWSA-N 0 0 423.460 4.512 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)CSc1ncnc2c1cnn2Cc1ccccc1 ZINC000002451599 569405629 /nfs/dbraw/zinc/40/56/29/569405629.db2.gz GXBRBZAVHRIVFH-UHFFFAOYSA-N 0 0 423.929 4.567 50 0 HJAARN CCCSc1nnc(SCCC(=O)NC(=O)c2ccc(C(C)(C)C)cc2)s1 ZINC000013004849 569406536 /nfs/dbraw/zinc/40/65/36/569406536.db2.gz VJFOXPLDXVZPSE-UHFFFAOYSA-N 0 0 423.629 4.777 50 0 HJAARN Clc1ccc2c(c1)[C@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@H](c1ccncc1)O2 ZINC000013036198 569407500 /nfs/dbraw/zinc/40/75/00/569407500.db2.gz SXCXSEUNERFHMP-GCJKJVERSA-N 0 0 405.841 4.706 50 0 HJAARN CCOc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3ccc(OC)cc3)C[C@@H]21 ZINC000013036380 569407610 /nfs/dbraw/zinc/40/76/10/569407610.db2.gz NGJIEADDSOEYDU-XUZZJYLKSA-N 0 0 401.466 4.731 50 0 HJAARN CCn1c(=S)n(CN(C)Cc2ccc(OC)cc2)nc1-c1ccc(Cl)cc1 ZINC000013072637 569408666 /nfs/dbraw/zinc/40/86/66/569408666.db2.gz ZAPJODIGMYFOCF-UHFFFAOYSA-N 0 0 402.951 4.852 50 0 HJAARN Cc1sc2nc([C@@H](C)OC(=O)Cc3coc4cc5c(cc34)CCC5)[nH]c(=O)c2c1C ZINC000013108358 569409119 /nfs/dbraw/zinc/40/91/19/569409119.db2.gz HXRLDECXQUMKNR-GFCCVEGCSA-N 0 0 422.506 4.683 50 0 HJAARN COc1cc(Cl)c(C)cc1NC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000013146193 569409982 /nfs/dbraw/zinc/40/99/82/569409982.db2.gz WUYDSWZNSUUALY-UHFFFAOYSA-N 0 0 424.884 4.818 50 0 HJAARN CCc1ccc(S(=O)(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1 ZINC000013358301 569411649 /nfs/dbraw/zinc/41/16/49/569411649.db2.gz PNHGQPRDSBEKMU-UHFFFAOYSA-N 0 0 405.479 4.767 50 0 HJAARN O=C(Cn1nc(-c2ccccc2)c2cc(Cl)ccc21)Nc1ccc2c(c1)OCO2 ZINC000013368996 569412536 /nfs/dbraw/zinc/41/25/36/569412536.db2.gz IYYBUHZNTPYNTA-UHFFFAOYSA-N 0 0 405.841 4.724 50 0 HJAARN CCc1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)c1cccc(OC)c1 ZINC000013369999 569412766 /nfs/dbraw/zinc/41/27/66/569412766.db2.gz GESMOOMTMMILTR-UXHICEINSA-N 0 0 408.546 4.728 50 0 biogenic HJAARN O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(SC(F)(F)F)cc2)CC1 ZINC000007955025 569414064 /nfs/dbraw/zinc/41/40/64/569414064.db2.gz YKUCJEGYLAGACM-UHFFFAOYSA-N 0 0 408.445 4.789 50 0 HJAARN COc1ccccc1[C@@H]1CC(c2ccc(C)cc2)=NN1S(=O)(=O)c1ccccc1C ZINC000328596871 569416241 /nfs/dbraw/zinc/41/62/41/569416241.db2.gz AZQJNVNPKYLKDG-QFIPXVFZSA-N 0 0 420.534 4.852 50 0 HJAARN Cc1ccccc1S(=O)(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 ZINC000328597151 569416283 /nfs/dbraw/zinc/41/62/83/569416283.db2.gz DYBLMKXOPQTEJO-SFHVURJKSA-N 0 0 400.500 4.736 50 0 HJAARN CCOc1ccc(C(F)(F)F)cc1NC(=O)NCCn1c(C)nc2ccccc21 ZINC000078699014 569417555 /nfs/dbraw/zinc/41/75/55/569417555.db2.gz QOVZAYLBCAZFNF-UHFFFAOYSA-N 0 0 406.408 4.584 50 0 HJAARN COc1cc(-c2nc(CSc3nnc(-c4ccccc4C)n3C)cs2)ccc1O ZINC000078995219 569423202 /nfs/dbraw/zinc/42/32/02/569423202.db2.gz PEVMNPHMISSTMJ-UHFFFAOYSA-N 0 0 424.551 4.921 50 0 HJAARN C[C@@H](NC(=O)[C@@H](C)Sc1ccccc1Cl)c1nc(Cc2ccccc2)no1 ZINC000079022631 569424474 /nfs/dbraw/zinc/42/44/74/569424474.db2.gz XJOOPFNTCSLHAG-ZIAGYGMSSA-N 0 0 401.919 4.672 50 0 HJAARN O=C(Cc1csc(-c2cc(Br)cs2)n1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000079022422 569424501 /nfs/dbraw/zinc/42/45/01/569424501.db2.gz NWIPXBSKUDTBFN-RYUDHWBXSA-N 0 0 411.390 4.825 50 0 HJAARN COc1cc(C(=O)N2CCC[C@H]2CC(=O)c2cccs2)ccc1OC1CCCC1 ZINC000079045293 569425227 /nfs/dbraw/zinc/42/52/27/569425227.db2.gz IAHNKRCYRHMSIH-KRWDZBQOSA-N 0 0 413.539 4.956 50 0 HJAARN O=C(Nc1ccccc1Cc1ccccc1)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000079050918 569425582 /nfs/dbraw/zinc/42/55/82/569425582.db2.gz CBMIXAKHJUEWIQ-UHFFFAOYSA-N 0 0 415.461 4.667 50 0 HJAARN CC(=O)NCCCc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3C)n2)cc1 ZINC000028727996 571037735 /nfs/dbraw/zinc/03/77/35/571037735.db2.gz MZLSMUNOUPERLL-UHFFFAOYSA-N 0 0 411.527 4.649 50 0 HJAARN O=C(c1ccccc1C(F)(F)F)N1N=NN[C@@H]1c1ncc(C(F)(F)F)cc1Cl ZINC000263639788 571043519 /nfs/dbraw/zinc/04/35/19/571043519.db2.gz ISRQGOGWDJQLPZ-LBPRGKRZSA-N 0 0 423.704 4.799 50 0 HJAARN CN1c2ccccc2SC1C=c1c(=O)c(=CC2Sc3ccccc3N2C)c1=O ZINC000004773754 571045188 /nfs/dbraw/zinc/04/51/88/571045188.db2.gz FIHADWKYIAHKKA-AYKLPDECSA-N 0 0 406.532 4.538 50 0 HJAARN CC[C@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccccc1C(C)C ZINC000067239209 571051841 /nfs/dbraw/zinc/05/18/41/571051841.db2.gz PNNSVTIRAWMZRS-HNNXBMFYSA-N 0 0 412.559 4.858 50 0 HJAARN COc1cc(OC)cc(-n2c(=O)c3ccccc3nc2SCCc2ccccc2)c1 ZINC000067258605 571057515 /nfs/dbraw/zinc/05/75/15/571057515.db2.gz JDSMHGKYZYMCHX-UHFFFAOYSA-N 0 0 418.518 4.738 50 0 HJAARN COc1ccc(Cn2c(=O)c3ccccc3nc2SCc2cccc(F)c2)cc1 ZINC000067258832 571057822 /nfs/dbraw/zinc/05/78/22/571057822.db2.gz WFPAVGXCQXVSFV-UHFFFAOYSA-N 0 0 406.482 4.885 50 0 HJAARN COc1ccc(Cn2c(=O)c3ccccc3nc2SCc2ccc(F)cc2)cc1 ZINC000067258834 571057935 /nfs/dbraw/zinc/05/79/35/571057935.db2.gz NHCHTVXXODXMCC-UHFFFAOYSA-N 0 0 406.482 4.885 50 0 HJAARN COc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(N(C)C)cc2)cc1 ZINC000067259065 571058146 /nfs/dbraw/zinc/05/81/46/571058146.db2.gz VEYMTNLOGSWTLE-UHFFFAOYSA-N 0 0 417.534 4.753 50 0 HJAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2cc(F)ccc2F)cc1 ZINC000067258867 571058187 /nfs/dbraw/zinc/05/81/87/571058187.db2.gz ZVOMXLMNURPLNF-UHFFFAOYSA-N 0 0 410.445 4.965 50 0 HJAARN COc1ccc(OC)c(-n2c(=O)c3ccccc3nc2SCCc2ccccc2)c1 ZINC000067258932 571058214 /nfs/dbraw/zinc/05/82/14/571058214.db2.gz KDDPPVAHJNSISY-UHFFFAOYSA-N 0 0 418.518 4.738 50 0 HJAARN COc1ccccc1-n1c(=O)c2ccccc2nc1SCc1cc(F)ccc1F ZINC000067259551 571058885 /nfs/dbraw/zinc/05/88/85/571058885.db2.gz GDYLIFHEPZZOHD-UHFFFAOYSA-N 0 0 410.445 4.965 50 0 HJAARN COc1ccc(-c2cc3c(N4CC=C(c5ccccc5)CC4)nccn3n2)cc1OC ZINC000067285304 571063955 /nfs/dbraw/zinc/06/39/55/571063955.db2.gz XCVPTDHXTZYEMQ-UHFFFAOYSA-N 0 0 412.493 4.707 50 0 HJAARN O=C(c1cnc2ccc(F)cc2c1N1CC=C(c2ccccc2)CC1)N1CCCC1 ZINC000067287958 571065789 /nfs/dbraw/zinc/06/57/89/571065789.db2.gz LKWDRVYYBZQVRD-UHFFFAOYSA-N 0 0 401.485 4.904 50 0 HJAARN Cc1cc(C)cc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)c1 ZINC000067292758 571068292 /nfs/dbraw/zinc/06/82/92/571068292.db2.gz PAFBBDBULNEGOU-YXKKDJNZSA-N 0 0 410.901 4.844 50 0 HJAARN O=C(NC[C@@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(F)cc1F ZINC000067292922 571068755 /nfs/dbraw/zinc/06/87/55/571068755.db2.gz SBHLOJLEMFSILW-UZGAPFOWSA-N 0 0 418.827 4.506 50 0 HJAARN COc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NCc2ccco2)cc1 ZINC000067293159 571068766 /nfs/dbraw/zinc/06/87/66/571068766.db2.gz YUNKRTOWDBHDGQ-LVWGJNHUSA-N 0 0 408.841 4.850 50 0 HJAARN Cc1cc(F)ccc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC[C@H]1CCCO1 ZINC000067293028 571068785 /nfs/dbraw/zinc/06/87/85/571068785.db2.gz VWRSNGIFDIACCM-LYYOGKFUSA-N 0 0 414.864 4.675 50 0 HJAARN Cc1c(Cl)cccc1/N=c1\oc2cc(O)ccc2cc1C(=O)Nc1ccccn1 ZINC000067293369 571069132 /nfs/dbraw/zinc/06/91/32/571069132.db2.gz LEJBQOYPDSKGSA-LVWGJNHUSA-N 0 0 405.841 4.980 50 0 HJAARN COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)n2)cc1F ZINC000067296862 571071438 /nfs/dbraw/zinc/07/14/38/571071438.db2.gz URGKDRUJBUAWTQ-RWEWTDSWSA-N 0 0 403.413 4.769 50 0 HJAARN Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(F)cc2F)n1 ZINC000067297909 571072085 /nfs/dbraw/zinc/07/20/85/571072085.db2.gz YJKTYXCJSDZTJH-ROMGYVFFSA-N 0 0 407.376 4.605 50 0 HJAARN CCOc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2cccc(C)n2)cc1 ZINC000067297868 571072215 /nfs/dbraw/zinc/07/22/15/571072215.db2.gz WAFWKSHGYXHPDM-LCUIJRPUSA-N 0 0 415.449 4.725 50 0 HJAARN COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc(C)c(F)c3)oc21 ZINC000067299099 571073032 /nfs/dbraw/zinc/07/30/32/571073032.db2.gz POQDZHJSYLQMAL-RWEWTDSWSA-N 0 0 406.413 4.644 50 0 HJAARN O=C(NCc1ccco1)c1cc2ccc(O)cc2o/c1=N\c1cc(F)ccc1Cl ZINC000067299267 571073347 /nfs/dbraw/zinc/07/33/47/571073347.db2.gz VOPKGYOEAYBZFY-DAFNUICNSA-N 0 0 412.804 4.686 50 0 HJAARN O=C(CSc1nn(-c2ccccc2)c(=S)s1)c1ccc2c(c1)CCC(=O)N2 ZINC000008542401 571077264 /nfs/dbraw/zinc/07/72/64/571077264.db2.gz LRKQTNRORGOIPN-UHFFFAOYSA-N 0 0 413.549 4.523 50 0 HJAARN CCc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1[C@H](C)CC ZINC000067335149 571079341 /nfs/dbraw/zinc/07/93/41/571079341.db2.gz SNJJMORDXJRWAC-CYBMUJFWSA-N 0 0 401.557 4.722 50 0 HJAARN COC(=O)C(=CNc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000067340440 571080796 /nfs/dbraw/zinc/08/07/96/571080796.db2.gz FWBVAAMSRZXYQI-QGOAFFKASA-N 0 0 407.919 4.538 50 0 HJAARN Cc1ccc(O[C@@H](C)C(=O)Nc2nonc2-c2ccc(Br)cc2)cc1C ZINC000008587454 571083874 /nfs/dbraw/zinc/08/38/74/571083874.db2.gz HILDLAGOPOKTQG-ZDUSSCGKSA-N 0 0 416.275 4.522 50 0 HJAARN COC(=O)c1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n3c2CCCCC3)cc1 ZINC000008591291 571086383 /nfs/dbraw/zinc/08/63/83/571086383.db2.gz LLKPTMKDVGFHHI-UHFFFAOYSA-N 0 0 423.900 4.969 50 0 HJAARN CCCOc1ccc(CNC(=O)c2ccc(C)c(-n3c(C)nc4cccnc43)c2)cc1 ZINC000008592703 571086729 /nfs/dbraw/zinc/08/67/29/571086729.db2.gz ARQPLMKWMWKZLJ-UHFFFAOYSA-N 0 0 414.509 4.756 50 0 HJAARN CCOc1ccc(OC(=O)c2cn(-c3cccc(OC)c3)c(=O)c3ccccc23)cc1 ZINC000008600312 571089829 /nfs/dbraw/zinc/08/98/29/571089829.db2.gz OLTILPAKTJRMFU-UHFFFAOYSA-N 0 0 415.445 4.617 50 0 HJAARN COc1ccc(CNC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)cc1OC ZINC000008611178 571094728 /nfs/dbraw/zinc/09/47/28/571094728.db2.gz NSASMDATICHGBJ-UHFFFAOYSA-N 0 0 416.477 4.560 50 0 biogenic HJAARN O=C(CSc1nc2ccccc2nc1Cc1ccccc1)N1CCc2ccccc21 ZINC000008619629 571096548 /nfs/dbraw/zinc/09/65/48/571096548.db2.gz SMSHUZSEOPETJN-UHFFFAOYSA-N 0 0 411.530 4.902 50 0 HJAARN Cc1ccc(OCC(=O)Nc2nc(-c3ccc(Br)cc3)ns2)cc1C ZINC000008654872 571098878 /nfs/dbraw/zinc/09/88/78/571098878.db2.gz IELGQEXLKXUXCI-UHFFFAOYSA-N 0 0 418.316 4.602 50 0 HJAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)cc1 ZINC000008657317 571099168 /nfs/dbraw/zinc/09/91/68/571099168.db2.gz UQCUBRVAKLLNER-SFHVURJKSA-N 0 0 415.468 4.753 50 0 HJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(F)cc1)N(c1cccc(C)n1)C3=O ZINC000008664925 571099787 /nfs/dbraw/zinc/09/97/87/571099787.db2.gz QUUOAYYIWRJTDY-NRFANRHFSA-N 0 0 400.409 4.694 50 0 HJAARN COc1ccc(-c2nc(-c3ccccc3)[nH]c2SCC(=O)Nc2nccs2)cc1 ZINC000008683347 571101337 /nfs/dbraw/zinc/10/13/37/571101337.db2.gz CEZDRNXMPNQOFD-UHFFFAOYSA-N 0 0 422.535 4.940 50 0 HJAARN COc1ccc(CN(C)Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1OC ZINC000008692946 571102310 /nfs/dbraw/zinc/10/23/10/571102310.db2.gz KYJGANMMKPHTHR-UHFFFAOYSA-N 0 0 421.522 4.713 50 0 HJAARN COc1ccc(-c2nnc([C@@H](C)Sc3nccn3-c3ccc(OC)cc3)o2)cc1 ZINC000008708509 571104364 /nfs/dbraw/zinc/10/43/64/571104364.db2.gz RWXBZFJECTXVSY-CQSZACIVSA-N 0 0 408.483 4.793 50 0 HJAARN O=C(CCc1nc(-c2ccsc2)no1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008736093 571110061 /nfs/dbraw/zinc/11/00/61/571110061.db2.gz YOKNMGJVJBMTDD-CQSZACIVSA-N 0 0 424.551 4.747 50 0 HJAARN CCOC(=O)[C@@H](c1ccc(Cl)cc1)N(CC)C(=O)c1nc(Cl)ccc1Cl ZINC000008747925 571111269 /nfs/dbraw/zinc/11/12/69/571111269.db2.gz AOVHQGKXCBKHDE-MRXNPFEDSA-N 0 0 415.704 4.808 50 0 HJAARN Cc1nc(NC(=O)Nc2ccc(C)cc2)sc1C(=O)NCc1ccc(Cl)cc1 ZINC000008771417 571117236 /nfs/dbraw/zinc/11/72/36/571117236.db2.gz SOTPZSHCDWMKOE-UHFFFAOYSA-N 0 0 414.918 4.987 50 0 HJAARN CN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000008845494 571125387 /nfs/dbraw/zinc/12/53/87/571125387.db2.gz BQXIFBFXVCRHOF-XMMPIXPASA-N 0 0 411.461 4.536 50 0 HJAARN COP(=O)(OC)c1nc(-c2ccc(C(C)(C)C)cc2)oc1NCc1cccnc1 ZINC000008846122 571125788 /nfs/dbraw/zinc/12/57/88/571125788.db2.gz JGMFHNNRDFMRRZ-UHFFFAOYSA-N 0 0 415.430 4.757 50 0 HJAARN Cc1nc(NC(=O)Nc2ccc(Cl)cc2)sc1C(=O)NCCc1ccccc1 ZINC000008847812 571125989 /nfs/dbraw/zinc/12/59/89/571125989.db2.gz DJNIZWZRNWOUOH-UHFFFAOYSA-N 0 0 414.918 4.721 50 0 HJAARN CC(C)n1nc(C(=O)Nc2ccc(Br)cc2Cl)c2ccccc2c1=O ZINC000008855906 571128035 /nfs/dbraw/zinc/12/80/35/571128035.db2.gz VCKSAUPRQUVMCV-UHFFFAOYSA-N 0 0 420.694 4.646 50 0 HJAARN O=C1OCC[C@H]1Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 ZINC000008861710 571128550 /nfs/dbraw/zinc/12/85/50/571128550.db2.gz FOJWSOLJQDZBSY-MRXNPFEDSA-N 0 0 420.321 4.708 50 0 HJAARN CS(=O)(=O)Cc1cccc(C(=O)Nc2nc(-c3cccc4ccccc43)cs2)c1 ZINC000008877942 571130793 /nfs/dbraw/zinc/13/07/93/571130793.db2.gz IGBQXQMJPSTVAN-UHFFFAOYSA-N 0 0 422.531 4.760 50 0 HJAARN Cc1csc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2C(C)C)n1 ZINC000039768232 571134232 /nfs/dbraw/zinc/13/42/32/571134232.db2.gz FWRMRPDCCVOBCF-UHFFFAOYSA-N 0 0 413.528 4.768 50 0 HJAARN CC[C@H](c1nnc(SCc2ccccc2OC)n1-c1ccc(OC)cc1)N(C)C ZINC000039964448 571135150 /nfs/dbraw/zinc/13/51/50/571135150.db2.gz HZEHNDCAWICWBV-LJQANCHMSA-N 0 0 412.559 4.590 50 0 HJAARN CC(=O)N1CCc2cc(NC(=O)Cc3csc(-c4ccc(C)cc4C)n3)ccc21 ZINC000040012950 571138351 /nfs/dbraw/zinc/13/83/51/571138351.db2.gz PSTROILMBCALGT-UHFFFAOYSA-N 0 0 405.523 4.517 50 0 HJAARN CC(=O)N[C@@H](CC(=O)O[C@@H](C)c1nc2ccccc2n1C(F)F)c1ccc(C)cc1 ZINC000040033797 571141089 /nfs/dbraw/zinc/14/10/89/571141089.db2.gz KDDJFYTUKGKZGQ-KSSFIOAISA-N 0 0 415.440 4.612 50 0 HJAARN COc1ccc(C(=O)C2CCN([C@@H](C)c3nnc(-c4cccc(C)c4)o3)CC2)cc1 ZINC000040037394 571141707 /nfs/dbraw/zinc/14/17/07/571141707.db2.gz YDMKMPJFQMBPQC-KRWDZBQOSA-N 0 0 405.498 4.710 50 0 HJAARN COc1cccc(-c2nc(C(=O)OCC(=O)c3ccc(Cl)cc3)cs2)c1OC ZINC000040057528 571145825 /nfs/dbraw/zinc/14/58/25/571145825.db2.gz OPJOCZWXSWAYOV-UHFFFAOYSA-N 0 0 417.870 4.520 50 0 HJAARN CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2nc3c(s2)CCCCC3)cc1 ZINC000040058969 571146354 /nfs/dbraw/zinc/14/63/54/571146354.db2.gz VOYLJJSCHKHBFC-UHFFFAOYSA-N 0 0 401.532 4.940 50 0 HJAARN O=C(CCSCc1nc(-c2ccccc2Cl)no1)Nc1ccc(F)c(F)c1 ZINC000040067449 571148387 /nfs/dbraw/zinc/14/83/87/571148387.db2.gz LHSIPTOTJNAOOH-UHFFFAOYSA-N 0 0 409.845 4.930 50 0 HJAARN CCOc1cc(C(=O)N2CCCc3cc(OC)ccc32)ccc1OCc1cccnc1 ZINC000040069909 571150859 /nfs/dbraw/zinc/15/08/59/571150859.db2.gz XKFXADGQXJVKLD-UHFFFAOYSA-N 0 0 418.493 4.661 50 0 HJAARN CCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC)cc1OCC ZINC000008917249 571153257 /nfs/dbraw/zinc/15/32/57/571153257.db2.gz RGVRQWSXPZVZRE-NRFANRHFSA-N 0 0 407.466 4.546 50 0 HJAARN Cc1nc2cc(NC(=O)[C@@H]3CCCN3C(=O)c3cc(Cl)ccc3Cl)ccc2o1 ZINC000040079765 571154882 /nfs/dbraw/zinc/15/48/82/571154882.db2.gz MMZKCTLRGFZDJA-KRWDZBQOSA-N 0 0 418.280 4.686 50 0 HJAARN C[C@@H](NC(=O)c1cccc(NC(=O)c2cccnc2)c1)c1ccc(C(F)(F)F)cc1 ZINC000040086887 571157337 /nfs/dbraw/zinc/15/73/37/571157337.db2.gz YXZFMZNVBYTTPZ-CQSZACIVSA-N 0 0 413.399 4.844 50 0 HJAARN O=C(NCc1cccc(NC(=O)c2cccnc2)c1)c1sccc1-c1ccccc1 ZINC000040087206 571157623 /nfs/dbraw/zinc/15/76/23/571157623.db2.gz OFMXAQYRECVGGO-UHFFFAOYSA-N 0 0 413.502 4.992 50 0 HJAARN Cc1c(NC(=O)N[C@@H](c2cccs2)C2CCCC2)c(=O)n(-c2ccccc2)n1C ZINC000040094837 571161978 /nfs/dbraw/zinc/16/19/78/571161978.db2.gz QSUOZJLCAMTJKG-HXUWFJFHSA-N 0 0 410.543 4.599 50 0 HJAARN O=C(NC1CCN(C(=O)Nc2ccccc2Cc2ccccc2)CC1)c1ccccc1 ZINC000040098881 571162500 /nfs/dbraw/zinc/16/25/00/571162500.db2.gz ZAMDODYSMDTMSK-UHFFFAOYSA-N 0 0 413.521 4.704 50 0 HJAARN Cc1ccc(NC(=O)CCCOc2ccccc2)cc1NS(=O)(=O)c1ccccc1 ZINC000040106665 571167193 /nfs/dbraw/zinc/16/71/93/571167193.db2.gz HMHVLQPJHFXQNH-UHFFFAOYSA-N 0 0 424.522 4.594 50 0 HJAARN CC(C)n1c(=O)c2ccccc2nc1SCc1cc(Cl)c2c(c1)OCCO2 ZINC000008942702 571168720 /nfs/dbraw/zinc/16/87/20/571168720.db2.gz XAHNABRTVOIFDO-UHFFFAOYSA-N 0 0 402.903 4.694 50 0 HJAARN O=C(NCc1ccnc(Oc2ccccc2)c1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000040110663 571168955 /nfs/dbraw/zinc/16/89/55/571168955.db2.gz PQGKWGGSIKTKNZ-UHFFFAOYSA-N 0 0 402.479 4.652 50 0 HJAARN CC(C)Oc1cccc([C@H](C)NC(=O)C2CCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000040112822 571170977 /nfs/dbraw/zinc/17/09/77/571170977.db2.gz REZZLOMTXCAXRH-FQEVSTJZSA-N 0 0 422.569 4.522 50 0 HJAARN Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H](C)Cc1cccc(Cl)c1 ZINC000040112944 571171088 /nfs/dbraw/zinc/17/10/88/571171088.db2.gz DZKWCUOEJPSWCE-CYBMUJFWSA-N 0 0 415.946 4.993 50 0 HJAARN O=C(NCc1ccccc1)c1sccc1NC(=O)c1ccc(Br)cc1 ZINC000040115339 571173002 /nfs/dbraw/zinc/17/30/02/571173002.db2.gz GIDJWMHNGKETFT-UHFFFAOYSA-N 0 0 415.312 4.693 50 0 HJAARN COc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)c(OC)c1 ZINC000040128670 571179897 /nfs/dbraw/zinc/17/98/97/571179897.db2.gz XQBJLHZCFSQELF-UHFFFAOYSA-N 0 0 408.502 4.642 50 0 HJAARN CCCN1c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2OCC(C)(C)C1=O ZINC000008958864 571181833 /nfs/dbraw/zinc/18/18/33/571181833.db2.gz DHDGHGBZPVCZDG-UHFFFAOYSA-N 0 0 400.906 4.683 50 0 HJAARN Cc1ccc(OCC(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)cc1 ZINC000008959307 571182888 /nfs/dbraw/zinc/18/28/88/571182888.db2.gz ZTGGSEZDXATAQO-UHFFFAOYSA-N 0 0 424.541 4.810 50 0 HJAARN O=C(Cc1csc(Cc2ccccn2)n1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000040130932 571183046 /nfs/dbraw/zinc/18/30/46/571183046.db2.gz VLEAAVJJZHRRSQ-UHFFFAOYSA-N 0 0 423.925 4.901 50 0 HJAARN CCCCOc1ccc(C(=O)Nc2ccc3c(c2)N(CC)C(=O)C(C)(C)CO3)cc1 ZINC000008959433 571183079 /nfs/dbraw/zinc/18/30/79/571183079.db2.gz SOFQLEIFZDJKHO-UHFFFAOYSA-N 0 0 410.514 4.889 50 0 HJAARN CC(C)CN1c2cc(NC(=O)c3cccc(Cl)c3)ccc2OCC(C)(C)C1=O ZINC000008959789 571183521 /nfs/dbraw/zinc/18/35/21/571183521.db2.gz QZKRAGPGDKSRLR-UHFFFAOYSA-N 0 0 400.906 5.000 50 0 HJAARN CCOCCCC(=O)N[C@@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000040132461 571184867 /nfs/dbraw/zinc/18/48/67/571184867.db2.gz UUKRNMXUEDDGMM-IBGZPJMESA-N 0 0 405.420 4.604 50 0 HJAARN COc1ccccc1OCc1ccc(C(=O)Nc2cc(C)nn2Cc2ccccc2)o1 ZINC000040132774 571185483 /nfs/dbraw/zinc/18/54/83/571185483.db2.gz PWFGPVAIVYJWLR-UHFFFAOYSA-N 0 0 417.465 4.673 50 0 HJAARN O=C(Nc1ccccc1NC(=O)c1ccncc1)c1csc(-c2ccsc2)n1 ZINC000040139115 571188870 /nfs/dbraw/zinc/18/88/70/571188870.db2.gz KBDPCCLRNFFSJW-UHFFFAOYSA-N 0 0 406.492 4.771 50 0 HJAARN O=C(Nc1nnc(C2CC2)s1)c1ccc(COc2ccc(Br)cc2)o1 ZINC000040140351 571191580 /nfs/dbraw/zinc/19/15/80/571191580.db2.gz GWYVFYWREWYGPA-UHFFFAOYSA-N 0 0 420.288 4.602 50 0 HJAARN C[C@H](NC(=O)c1ccc(COc2cccc(Br)c2)o1)c1ccncc1 ZINC000040141045 571192318 /nfs/dbraw/zinc/19/23/18/571192318.db2.gz IINHDMIXGJNQEB-ZDUSSCGKSA-N 0 0 401.260 4.507 50 0 HJAARN C[C@@H]1C[C@H](C)N(C(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c2ccnn21 ZINC000040146276 571196235 /nfs/dbraw/zinc/19/62/35/571196235.db2.gz CWQSBZRIVHMVKS-QWHCGFSZSA-N 0 0 420.460 4.954 50 0 HJAARN Cc1ccc(NC(=O)[C@@H](Sc2nnc(-c3cccs3)n2N)c2ccccc2)cc1 ZINC000008982729 571205021 /nfs/dbraw/zinc/20/50/21/571205021.db2.gz KHRMZTNYWFMUQB-SFHVURJKSA-N 0 0 421.551 4.501 50 0 HJAARN O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2cccnc2)N1CCc1c[nH]c2ccccc12 ZINC000008990424 571206473 /nfs/dbraw/zinc/20/64/73/571206473.db2.gz SQRVDKWTCPSVRB-VWLOTQADSA-N 0 0 419.488 4.741 50 0 HJAARN O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CC[C@H](Oc2cccc3cccnc32)C1 ZINC000245130849 571214938 /nfs/dbraw/zinc/21/49/38/571214938.db2.gz VAPRLRYBNFXRSP-FQEVSTJZSA-N 0 0 401.441 4.663 50 0 HJAARN 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aggregator HJAARN Cc1cccc(CN2c3ccccc3S(=O)(=O)N(c3ccc(C)cc3C)C2=O)c1 ZINC000007615997 132325111 /nfs/dbraw/zinc/32/51/11/132325111.db2.gz FBXVVKAHPWQKGE-UHFFFAOYSA-N 0 0 406.507 4.947 50 0 HJAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc3ccc4cccnc4c3[nH]2)CC1 ZINC000008597095 132331037 /nfs/dbraw/zinc/33/10/37/132331037.db2.gz WAQLTGMUTCDBAR-UHFFFAOYSA-N 0 0 404.901 4.640 50 0 HJAARN O=C(c1ccc2c(c1)nc1c(c2Cl)CCCC1)N1CCN(c2ccccc2F)CC1 ZINC000008599221 132331218 /nfs/dbraw/zinc/33/12/18/132331218.db2.gz RIEUNTPXBBGQKG-UHFFFAOYSA-N 0 0 423.919 4.869 50 0 HJAARN CCCCN1c2ccc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2CCC1=O ZINC000008840729 132333722 /nfs/dbraw/zinc/33/37/22/132333722.db2.gz RYQHPJFCJJTXJN-UHFFFAOYSA-N 0 0 414.571 4.800 50 0 HJAARN O=C1c2ccccc2N[C@H](c2c[nH]nc2-c2cccs2)N1c1ccc2c(c1)OCO2 ZINC000009367164 132339076 /nfs/dbraw/zinc/33/90/76/132339076.db2.gz LWKOLCZAKZOXIF-NRFANRHFSA-N 0 0 416.462 4.638 50 0 HJAARN Cc1cccc(Nc2nc(Nc3ccc(C(C)C)cc3)nc(N3CCOCC3)n2)c1 ZINC000009708927 132342907 /nfs/dbraw/zinc/34/29/07/132342907.db2.gz OYRWJMMWYLNVOG-UHFFFAOYSA-N 0 0 404.518 4.627 50 0 HJAARN CC(C)c1ccccc1NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl ZINC000011999180 132352786 /nfs/dbraw/zinc/35/27/86/132352786.db2.gz PPZPOJOZVWRJBX-UHFFFAOYSA-N 0 0 406.935 4.646 50 0 HJAARN Fc1ccccc1N1CCN(Cn2c3ccccc3nc2COc2ccccc2)CC1 ZINC000012550450 132363029 /nfs/dbraw/zinc/36/30/29/132363029.db2.gz KZVRCVLWWHDEBM-UHFFFAOYSA-N 0 0 416.500 4.534 50 0 HJAARN O=C(c1csc(-c2ccc(F)cc2)n1)N1CCN(c2ccccc2Cl)CC1 ZINC000012556440 132363712 /nfs/dbraw/zinc/36/37/12/132363712.db2.gz QRNHDPNVGBYXBD-UHFFFAOYSA-N 0 0 401.894 4.565 50 0 HJAARN Cc1nc(N2CCC(C(=O)N[C@H](C)c3ccccc3Cl)CC2)nc2ccccc12 ZINC000012572905 132364482 /nfs/dbraw/zinc/36/44/82/132364482.db2.gz XRIWKHZRLJTSDB-OAHLLOKOSA-N 0 0 408.933 4.685 50 0 HJAARN CN(CC(=O)Nc1ccccc1Br)Cc1ccccc1N1CCCCC1 ZINC000012609966 132365274 /nfs/dbraw/zinc/36/52/74/132365274.db2.gz UEZAMLGLRRWJKI-UHFFFAOYSA-N 0 0 416.363 4.510 50 0 HJAARN COc1ccc2c(c1)CCCN2S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000012732902 132366328 /nfs/dbraw/zinc/36/63/28/132366328.db2.gz RIWAVKODGQJZIN-UHFFFAOYSA-N 0 0 405.825 4.509 50 0 HJAARN CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N3CCCc4ccccc43)o2)cc1 ZINC000012863346 132367937 /nfs/dbraw/zinc/36/79/37/132367937.db2.gz FPFKBVYBQFBAID-OAHLLOKOSA-N 0 0 409.511 4.595 50 0 HJAARN O=C(c1ccc(N2CCc3ccccc32)s1)N1CCN(c2ccc(F)cc2)CC1 ZINC000015732292 132462412 /nfs/dbraw/zinc/46/24/12/132462412.db2.gz DVMZXLHHXXIGID-UHFFFAOYSA-N 0 0 407.514 4.544 50 0 HJAARN CC1CCN(c2c3ccccc3ncc2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000022574295 132474939 /nfs/dbraw/zinc/47/49/39/132474939.db2.gz GKIRKTHCFHTDHP-UHFFFAOYSA-N 0 0 400.931 4.957 50 0 HJAARN Cc1cccc(NC(=O)[C@H]2CCCN(c3nccnc3Sc3ccccc3)C2)c1 ZINC000033168851 132777877 /nfs/dbraw/zinc/77/78/77/132777877.db2.gz MVTDRROJIPEKAF-SFHVURJKSA-N 0 0 404.539 4.791 50 0 HJAARN Cc1ccc(NC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)cc1C ZINC000033271979 132783027 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CC(C)CNC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccc(C(C)C)cc3)n2)C1 ZINC000032924994 519741319 /nfs/dbraw/zinc/74/13/19/519741319.db2.gz VYASTSSGTGHMTF-IBGZPJMESA-N 0 0 413.587 4.558 50 0 HJAARN CC(C)c1ccc(CCC(=O)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)cc1 ZINC000044506122 519835499 /nfs/dbraw/zinc/83/54/99/519835499.db2.gz FQQYIOJDDKGKQI-SFHVURJKSA-N 0 0 404.514 4.778 50 0 HJAARN CCN(C(=O)c1cc2c(s1)c1cc(C)ccc1[nH]c2=O)c1cc(OC)ccc1OC ZINC000020356861 520073095 /nfs/dbraw/zinc/07/30/95/520073095.db2.gz WLDBJJYCTAAPRW-UHFFFAOYSA-N 0 0 422.506 4.735 50 0 HJAARN CCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000044803758 520497518 /nfs/dbraw/zinc/49/75/18/520497518.db2.gz IJHINAGCQYKTOS-LJQANCHMSA-N 0 0 418.541 4.891 50 0 HJAARN CCCCN1C(=O)COc2ccc(NC(=O)c3cc(-c4ccc(C)c(C)c4)on3)cc21 ZINC000032593481 520560950 /nfs/dbraw/zinc/56/09/50/520560950.db2.gz TXRBMOKUDNYFAV-UHFFFAOYSA-N 0 0 419.481 4.736 50 0 HJAARN CCCCOc1ccccc1-c1cc(C(=O)NCc2ccc(F)c(Cl)c2)[nH]n1 ZINC000072331597 520910057 /nfs/dbraw/zinc/91/00/57/520910057.db2.gz SGKVFFWSPGUMIK-UHFFFAOYSA-N 0 0 401.869 4.978 50 0 HJAARN CCN(Cc1cccc(NC(=O)c2cc(F)c(F)cc2Cl)c1)C(=O)C(F)(F)F ZINC000032832761 521351153 /nfs/dbraw/zinc/35/11/53/521351153.db2.gz PHOMPYMFDONIRK-UHFFFAOYSA-N 0 0 420.765 4.781 50 0 HJAARN CCOC(=O)c1ccc(Nc2nc(N)c(C(=O)c3cc(C)c(C)cc3C)s2)cc1 ZINC000032947546 521523859 /nfs/dbraw/zinc/52/38/59/521523859.db2.gz ADHKRZRYIHUFHG-UHFFFAOYSA-N 0 0 409.511 4.802 50 0 HJAARN CCOc1ccccc1NC(=O)COc1cccc(-c2nc3cc(F)ccc3n2C)c1 ZINC000072311171 521528298 /nfs/dbraw/zinc/52/82/98/521528298.db2.gz RWOPNBFQQDUPSY-UHFFFAOYSA-N 0 0 419.456 4.796 50 0 HJAARN CCCn1c2ccccc2c2nnc(SCc3nc(-c4cccs4)no3)nc21 ZINC000032778394 521638895 /nfs/dbraw/zinc/63/88/95/521638895.db2.gz ZPIBKBQEJJJXFN-UHFFFAOYSA-N 0 0 408.512 4.793 50 0 HJAARN CCCN1C(=O)COc2ccc(-c3csc(NC(=O)CCc4ccccc4)n3)cc21 ZINC000019820279 521699611 /nfs/dbraw/zinc/69/96/11/521699611.db2.gz WXHGVFXURZUDEE-UHFFFAOYSA-N 0 0 421.522 4.517 50 0 HJAARN CC[C@@H](C(=O)NC1CCCC1)n1c(SCc2cccc(F)c2)nc2cccnc21 ZINC000020532393 521829891 /nfs/dbraw/zinc/82/98/91/521829891.db2.gz AWYLVQLHDIWKPY-IBGZPJMESA-N 0 0 412.534 4.873 50 0 HJAARN COc1cc(Br)c(OC)c(C(=O)N(C)Cc2c(F)cccc2Cl)c1 ZINC000032895519 522024591 /nfs/dbraw/zinc/02/45/91/522024591.db2.gz ICMSBHGUPPZBCB-UHFFFAOYSA-N 0 0 416.674 4.531 50 0 HJAARN CC[C@@H](C)Nc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 ZINC000020391323 522235895 /nfs/dbraw/zinc/23/58/95/522235895.db2.gz QOTJUZCVTXAPLS-CYBMUJFWSA-N 0 0 411.575 4.901 50 0 HJAARN CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccccc2Br)c1 ZINC000001180916 522427991 /nfs/dbraw/zinc/42/79/91/522427991.db2.gz MSEFGJLPOARUKQ-LLVKDONJSA-N 0 0 407.333 4.795 50 0 HJAARN COc1cc(Cl)ccc1C(=O)OCc1nc(-c2ccc(Br)cc2)no1 ZINC000044836536 522549144 /nfs/dbraw/zinc/54/91/44/522549144.db2.gz HPLLVNRGVITKGN-UHFFFAOYSA-N 0 0 423.650 4.518 50 0 HJAARN COc1cc([C@H]2CC(=O)Nc3c2ncn3-c2ccc(OC(F)(F)F)cc2)ccc1O ZINC000040267547 522960316 /nfs/dbraw/zinc/96/03/16/522960316.db2.gz XZVMHWLVEJOPHT-CQSZACIVSA-N 0 0 419.359 4.609 50 0 HJAARN COc1ccc(-c2cnc(SCC(=O)N3CCCCC3)n2-c2ccccc2)cc1 ZINC000044086008 523147667 /nfs/dbraw/zinc/14/76/67/523147667.db2.gz RCGSEHNBQVRUFW-UHFFFAOYSA-N 0 0 407.539 4.653 50 0 HJAARN COc1ccc(-c2nc(NC(=O)Cc3cc(C(C)=O)ccc3OC)sc2C)cc1 ZINC000032674708 523222319 /nfs/dbraw/zinc/22/23/19/523222319.db2.gz RTKPEFYQHZSXGG-UHFFFAOYSA-N 0 0 410.495 4.520 50 0 HJAARN CCn1c(SCc2nc(-c3cccc(C)c3)oc2C)nc(=O)c2c(C)cc(C)nc21 ZINC000020214947 523239444 /nfs/dbraw/zinc/23/94/44/523239444.db2.gz BZHXVHKGSPVBOJ-UHFFFAOYSA-N 0 0 420.538 4.992 50 0 HJAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cccc(F)c4)cc3)n2)cc1 ZINC000032578635 523277178 /nfs/dbraw/zinc/27/71/78/523277178.db2.gz HEHRGSXXIJDCIM-UHFFFAOYSA-N 0 0 419.412 4.569 50 0 HJAARN COc1ccc(C(=O)C2CCN(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000032794764 523576094 /nfs/dbraw/zinc/57/60/94/523576094.db2.gz YJTRTPVCFYHEPO-UHFFFAOYSA-N 0 0 420.431 4.519 50 0 HJAARN CC[C@@H]1c2cccn2CCN1C(=O)c1cc(COc2cccc(C(F)(F)F)c2)on1 ZINC000020598612 523626195 /nfs/dbraw/zinc/62/61/95/523626195.db2.gz OUQCJJSOGFMGRE-GOSISDBHSA-N 0 0 419.403 4.681 50 0 HJAARN CCc1ccc(-n2nc(C)c3c2nc(OCC(=O)Nc2ccccc2F)cc3C)cc1 ZINC000045990646 523868717 /nfs/dbraw/zinc/86/87/17/523868717.db2.gz CLPQDNZFCYMNGJ-UHFFFAOYSA-N 0 0 418.472 4.756 50 0 HJAARN CN(C(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)[C@H]1CCCc2ccccc21 ZINC000032909376 523931147 /nfs/dbraw/zinc/93/11/47/523931147.db2.gz UPQKDBHGMJOUAQ-DEOSSOPVSA-N 0 0 424.500 4.632 50 0 HJAARN COc1ccc(CN(Cn2nc(C3CC3)n(C3CC3)c2=S)CC(F)(F)F)cc1 ZINC000032909255 524016285 /nfs/dbraw/zinc/01/62/85/524016285.db2.gz LQCNJWYKFPBTSD-UHFFFAOYSA-N 0 0 412.481 4.657 50 0 HJAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(OC)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000045928190 524018722 /nfs/dbraw/zinc/01/87/22/524018722.db2.gz SAXRDGLYOLOLOY-QHCPKHFHSA-N 0 0 419.452 4.896 50 0 HJAARN CN1c2ccccc2[C@@]2(OCc3ccccc3N2C(=O)Nc2ccc(Cl)cc2)C1=O ZINC000010157784 524035947 /nfs/dbraw/zinc/03/59/47/524035947.db2.gz KMHDUJMXBAYDMJ-HSZRJFAPSA-N 0 0 419.868 4.738 50 0 HJAARN Cc1ccc2nnc(-c3ccccc3)c(C(=O)N3CCN(c4ccccc4)CC3)c2c1 ZINC000032953323 524086202 /nfs/dbraw/zinc/08/62/02/524086202.db2.gz AUYUFSXZEZHAIO-UHFFFAOYSA-N 0 0 408.505 4.568 50 0 HJAARN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)NCCCO[C@H](C)c2ccccc2)c1 ZINC000032907569 524115372 /nfs/dbraw/zinc/11/53/72/524115372.db2.gz POBNUBPXAKUWIL-GOSISDBHSA-N 0 0 424.570 4.590 50 0 HJAARN COc1ccc(Cc2nnc(Sc3ncnc4sc5c(c43)CC[C@H](C)C5)o2)cc1 ZINC000032857614 524167971 /nfs/dbraw/zinc/16/79/71/524167971.db2.gz AHFFYRTUDBKKLR-LBPRGKRZSA-N 0 0 424.551 4.950 50 0 HJAARN C[C@@H](C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2Cl)c1)n1cccn1 ZINC000032832800 524273241 /nfs/dbraw/zinc/27/32/41/524273241.db2.gz GUYBAFOJPPMNLJ-LBPRGKRZSA-N 0 0 403.269 4.642 50 0 HJAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)c(C)c1 ZINC000032601644 524324276 /nfs/dbraw/zinc/32/42/76/524324276.db2.gz DSYCKYWADNEWEI-UHFFFAOYSA-N 0 0 409.433 4.617 50 0 HJAARN Cc1cc(C)c2c(n1)oc1c2ncn(CC(=O)N(c2ccccc2)c2ccccc2)c1=O ZINC000032073377 524348634 /nfs/dbraw/zinc/34/86/34/524348634.db2.gz UEKBXUAUVPXWIB-UHFFFAOYSA-N 0 0 424.460 4.519 50 0 HJAARN Cc1cc(C)cc(-c2nn(CN3CCC[C@H]3c3nnc4n3CCCCC4)c(=S)o2)c1 ZINC000032935387 524354441 /nfs/dbraw/zinc/35/44/41/524354441.db2.gz FFAGEQLFZRTBPS-SFHVURJKSA-N 0 0 424.574 4.602 50 0 HJAARN Cc1cccc(CSc2nc3cccnc3n2CC(=O)Nc2ccccc2F)c1 ZINC000020532370 524462764 /nfs/dbraw/zinc/46/27/64/524462764.db2.gz GHNJHPMJIYWFSO-UHFFFAOYSA-N 0 0 406.486 4.810 50 0 HJAARN COc1ccc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)c(C)c1 ZINC000032578567 524502149 /nfs/dbraw/zinc/50/21/49/524502149.db2.gz DHVVVWYZCXAUTN-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN COc1ccc(NC(=O)Nc2c(-c3cccc(C)c3)nc3ccccn32)c(OC)c1 ZINC000033312687 524577195 /nfs/dbraw/zinc/57/71/95/524577195.db2.gz WISPFVMYKKNPSE-UHFFFAOYSA-N 0 0 402.454 4.971 50 0 HJAARN COc1ccccc1O[C@H](C)C(=O)Nc1ccc(-c2nc(-c3ccccc3)no2)cc1 ZINC000032622708 524690492 /nfs/dbraw/zinc/69/04/92/524690492.db2.gz SEUVIZUTLKZQBZ-MRXNPFEDSA-N 0 0 415.449 4.818 50 0 HJAARN COc1ccccc1[C@@H](NC(=O)N[C@H](C)c1ccc(C(C)C)cc1)c1nccn1C ZINC000032802522 524739364 /nfs/dbraw/zinc/73/93/64/524739364.db2.gz CTZCARFWINPMPN-VGOFRKELSA-N 0 0 406.530 4.702 50 0 HJAARN Cc1cccc(OCCNC(=O)c2cc(-c3ccc(Br)cc3)on2)c1C ZINC000041156694 524747084 /nfs/dbraw/zinc/74/70/84/524747084.db2.gz JCMUBCVVWBQWKX-UHFFFAOYSA-N 0 0 415.287 4.530 50 0 HJAARN Cc1cccc(OCCn2c3ccccc3nc2[C@H](C)NC(=O)c2ccco2)c1C ZINC000031903406 524752592 /nfs/dbraw/zinc/75/25/92/524752592.db2.gz CSMHPYWZPUSZDD-SFHVURJKSA-N 0 0 403.482 4.816 50 0 HJAARN Cc1cccc(Oc2nccnc2N2CCC(C(=O)Nc3ccc(F)c(C)c3)CC2)c1 ZINC000033142057 524791294 /nfs/dbraw/zinc/79/12/94/524791294.db2.gz ZUEAVPUXVWULNP-UHFFFAOYSA-N 0 0 420.488 4.880 50 0 HJAARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000032854636 524909604 /nfs/dbraw/zinc/90/96/04/524909604.db2.gz QYWNHVJNOXIKEG-HNNXBMFYSA-N 0 0 412.873 4.577 50 0 HJAARN COc1ccc(OCC(=O)Nc2ccccc2-c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000032622902 524937006 /nfs/dbraw/zinc/93/70/06/524937006.db2.gz HKYCDSHHWDGDNO-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN C[C@H](NC(=O)CN(Cc1cccs1)Cc1cccs1)c1ccc(F)cc1F ZINC000032775754 524946783 /nfs/dbraw/zinc/94/67/83/524946783.db2.gz KVYOSAIMGQEDSD-AWEZNQCLSA-N 0 0 406.523 4.967 50 0 HJAARN Cc1ccccc1C(=O)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1 ZINC000023452393 525047874 /nfs/dbraw/zinc/04/78/74/525047874.db2.gz WWROKTMRMRNNAV-UHFFFAOYSA-N 0 0 408.505 4.568 50 0 HJAARN COc1ccc([C@@H](C)NC(=O)c2c(C)onc2-c2c(F)cccc2Cl)cc1OC ZINC000040488465 525141801 /nfs/dbraw/zinc/14/18/01/525141801.db2.gz JXQLLHVTMGFRIT-LLVKDONJSA-N 0 0 418.852 4.951 50 0 HJAARN COc1ccc([C@@H](CC(=O)Nc2ccc(C)cc2)N2Cc3ccccc3C2=O)cc1 ZINC000020560742 525172135 /nfs/dbraw/zinc/17/21/35/525172135.db2.gz VPHJUROTBIPJCI-HSZRJFAPSA-N 0 0 400.478 4.730 50 0 HJAARN C[C@@H](NC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000032862959 525223907 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HJAARN Cc1ccc(S(=O)(=O)Nc2ccc(Oc3nnc(C)c4ccccc43)cc2)cc1 ZINC000032907684 525609112 /nfs/dbraw/zinc/60/91/12/525609112.db2.gz PUIROYTWMAFURG-UHFFFAOYSA-N 0 0 405.479 4.840 50 0 HJAARN Cc1ccc(-c2cc(-c3nnc4sc(COc5ccc(Cl)cc5)nn43)[nH]n2)cc1 ZINC000019827210 525716510 /nfs/dbraw/zinc/71/65/10/525716510.db2.gz RMENTMQSZUGKRC-UHFFFAOYSA-N 0 0 422.901 4.784 50 0 HJAARN COc1cccc(-c2nn(-c3cccc(F)c3)cc2CCC(=O)NCc2ccco2)c1 ZINC000032975061 525729524 /nfs/dbraw/zinc/72/95/24/525729524.db2.gz LHTKQWAEYGMMOI-UHFFFAOYSA-N 0 0 419.456 4.529 50 0 HJAARN Cc1ccc(-c2nc(CC(=O)Nc3cccc(NC(=O)c4cccnc4)c3)cs2)o1 ZINC000032454316 525807561 /nfs/dbraw/zinc/80/75/61/525807561.db2.gz FKNCBIZIFNDYKZ-UHFFFAOYSA-N 0 0 418.478 4.540 50 0 HJAARN Cc1ccc(-c2nc(CC(=O)N[C@@H](C)c3cccc(Br)c3)cs2)o1 ZINC000032816666 525807835 /nfs/dbraw/zinc/80/78/35/525807835.db2.gz DOFYHGMIHTXHGF-LBPRGKRZSA-N 0 0 405.317 4.894 50 0 HJAARN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc(NC(=O)NC2CC2)c1 ZINC000032924509 525947289 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Clc1ccc(-c2nc(CSc3nnnn3CCc3cccs3)co2)cc1 ZINC000032860379 526934257 /nfs/dbraw/zinc/93/42/57/526934257.db2.gz LQSWNIDVAOPYTE-UHFFFAOYSA-N 0 0 403.920 4.578 50 0 HJAARN O=C(COc1cccc(-c2noc(-c3cccc(Cl)c3)n2)c1)NCc1ccccc1 ZINC000040488326 526973137 /nfs/dbraw/zinc/97/31/37/526973137.db2.gz KSVWGKGMXTVKIG-UHFFFAOYSA-N 0 0 419.868 4.752 50 0 HJAARN Cn1c(CCc2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000001127460 527050072 /nfs/dbraw/zinc/05/00/72/527050072.db2.gz JDTWAZUCXJISKZ-UHFFFAOYSA-N 0 0 421.353 4.638 50 0 HJAARN O=C(CSc1ncc(-c2ccccc2)o1)Nc1ccc(Br)cc1F ZINC000045943098 527068522 /nfs/dbraw/zinc/06/85/22/527068522.db2.gz RRXGRFMIUFTKOY-UHFFFAOYSA-N 0 0 407.264 4.974 50 0 HJAARN Cc1nc2c(s1)n(Cc1cccc(C(F)(F)F)c1)c(=O)nc2-c1cccs1 ZINC000032616345 527113032 /nfs/dbraw/zinc/11/30/32/527113032.db2.gz OCICPLBYUJBGHA-UHFFFAOYSA-N 0 0 407.442 4.957 50 0 HJAARN O=C1c2ccccc2N[C@H](c2csc(-c3ccc(F)cc3)n2)N1C[C@@H]1CCCO1 ZINC000032854078 527133923 /nfs/dbraw/zinc/13/39/23/527133923.db2.gz 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O=C(Cn1ccc2ccc(Cl)cc21)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000032095340 527380538 /nfs/dbraw/zinc/38/05/38/527380538.db2.gz QIZTXCVKNANSBD-UHFFFAOYSA-N 0 0 411.864 4.981 50 0 HJAARN O=C(Nc1ccccc1O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 ZINC000044917370 527428566 /nfs/dbraw/zinc/42/85/66/527428566.db2.gz AIFBGMZHEQGRAU-JOCHJYFZSA-N 0 0 404.510 4.826 50 0 HJAARN O=C(Nc1cccnc1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 ZINC000032071107 527443529 /nfs/dbraw/zinc/44/35/29/527443529.db2.gz GXNKXMGCHIHLGB-QFIPXVFZSA-N 0 0 403.526 4.905 50 0 HJAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NCCc3c[nH]c4ccccc34)c12 ZINC000020284135 527522437 /nfs/dbraw/zinc/52/24/37/527522437.db2.gz ULALIFFIWVPMHO-UHFFFAOYSA-N 0 0 423.520 4.800 50 0 HJAARN O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1n[nH]c2ccccc21 ZINC000032904857 527536304 /nfs/dbraw/zinc/53/63/04/527536304.db2.gz FUKXHMSYDFVTMW-UHFFFAOYSA-N 0 0 401.904 4.612 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000032802115 527541897 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4.690 50 0 HJAARN Cc1ccc(NC(=O)c2ccccc2I)c(Br)c1 ZINC000000638498 557030758 /nfs/dbraw/zinc/03/07/58/557030758.db2.gz RCWPELYITOKQIV-UHFFFAOYSA-N 0 0 416.056 4.614 50 0 HJAARN C=CS(=O)(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)c(OC)c1 ZINC000000639055 557031153 /nfs/dbraw/zinc/03/11/53/557031153.db2.gz HWYPMWSMWVUVFS-UHFFFAOYSA-N 0 0 407.900 4.733 50 0 HJAARN Nc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(N)cc3Cl)c2)c(Cl)c1 ZINC000000639185 557031249 /nfs/dbraw/zinc/03/12/49/557031249.db2.gz KLYOQRMILJMKNM-UHFFFAOYSA-N 0 0 415.280 4.662 50 0 HJAARN O=C1c2ccc(Br)cc2C(=O)N1c1ccc(OCc2ccccc2)cc1 ZINC000000639319 557031423 /nfs/dbraw/zinc/03/14/23/557031423.db2.gz VMPFURWNTZHRPI-UHFFFAOYSA-N 0 0 408.251 4.829 50 0 HJAARN O=C(NC1CCCCCC1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000000640112 557032022 /nfs/dbraw/zinc/03/20/22/557032022.db2.gz VJVMANVYODEASE-VWLOTQADSA-N 0 0 422.594 4.956 50 0 HJAARN CCOc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(OCC)cc3)c2)cc1 ZINC000000641391 557032811 /nfs/dbraw/zinc/03/28/11/557032811.db2.gz ODHPHERYRWSNDB-UHFFFAOYSA-N 0 0 404.466 4.989 50 0 HJAARN Cc1ccc(OC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)cc1 ZINC000000642706 557033431 /nfs/dbraw/zinc/03/34/31/557033431.db2.gz DBCUNFLDVBBGQG-LLVKDONJSA-N 0 0 414.093 4.893 50 0 HJAARN CCOC(=O)c1c(NC(=O)COc2c(C)cccc2C)sc2c1CC[C@H](C)C2 ZINC000000643673 557033938 /nfs/dbraw/zinc/03/39/38/557033938.db2.gz PDZAQIXDXXBLFA-ZDUSSCGKSA-N 0 0 401.528 4.684 50 0 HJAARN CCOC(=O)c1ccc(NC(=O)c2c(NC(=O)CC)sc3c2CC[C@H](C)C3)cc1 ZINC000000644058 557034365 /nfs/dbraw/zinc/03/43/65/557034365.db2.gz OJVRSQWDZTTZEG-ZDUSSCGKSA-N 0 0 414.527 4.650 50 0 HJAARN NC(=O)c1c(NC(=O)c2ccccc2CCc2ccccc2)sc2c1CCCC2 ZINC000000645401 557035027 /nfs/dbraw/zinc/03/50/27/557035027.db2.gz IRGZRGVGJHWFAH-UHFFFAOYSA-N 0 0 404.535 4.763 50 0 HJAARN CCc1ccccc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000000658215 557041987 /nfs/dbraw/zinc/04/19/87/557041987.db2.gz FFBWMZKLQPCHRH-UHFFFAOYSA-N 0 0 414.571 4.520 50 0 HJAARN CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1cccc(C)c1 ZINC000000661070 557043183 /nfs/dbraw/zinc/04/31/83/557043183.db2.gz GMSFPMZUUOGCAO-UHFFFAOYSA-N 0 0 400.935 4.966 50 0 HJAARN COc1ccccc1CNC(=O)c1sc2nc(-c3ccc(F)cc3)ccc2c1N ZINC000000661617 557043570 /nfs/dbraw/zinc/04/35/70/557043570.db2.gz WBLXABYNTAXIPM-UHFFFAOYSA-N 0 0 407.470 4.623 50 0 HJAARN COc1ccc(CNC(=O)c2sc3nc(-c4ccc(F)cc4)ccc3c2N)cc1 ZINC000000661685 557043923 /nfs/dbraw/zinc/04/39/23/557043923.db2.gz VVLCTZACEBKKDU-UHFFFAOYSA-N 0 0 407.470 4.623 50 0 HJAARN CCc1cc(OC)c(OC)cc1[C@@H](Cc1ccccc1)NC(=O)c1ccc(OC)cc1 ZINC000000667999 557046828 /nfs/dbraw/zinc/04/68/28/557046828.db2.gz ZHWIYVHOOMFMST-HSZRJFAPSA-N 0 0 419.521 4.989 50 0 HJAARN COc1ccccc1NC(=O)c1ccc(COc2ccccc2Br)o1 ZINC000000673419 557050275 /nfs/dbraw/zinc/05/02/75/557050275.db2.gz LPISMTVHYUDQRA-UHFFFAOYSA-N 0 0 402.244 4.882 50 0 HJAARN O=C(Nc1cccnc1Cl)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000000673938 557050782 /nfs/dbraw/zinc/05/07/82/557050782.db2.gz GTTFBRYMKQDKAA-HUUCEWRRSA-N 0 0 421.810 4.844 50 0 HJAARN CC1CCN(C(=O)c2nn3c(c2Cl)N[C@H](c2ccco2)C[C@@H]3C(F)(F)F)CC1 ZINC000000675007 557051608 /nfs/dbraw/zinc/05/16/08/557051608.db2.gz CGWDNHDJXRMWKN-WCQYABFASA-N 0 0 416.831 4.662 50 0 HJAARN COc1cc(NC(=O)COc2cc(C)ccc2C(C)C)ccc1NC(=O)c1ccco1 ZINC000000677691 557053744 /nfs/dbraw/zinc/05/37/44/557053744.db2.gz RGWMYKBHTCFEER-UHFFFAOYSA-N 0 0 422.481 4.990 50 0 HJAARN O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccccc1Cl ZINC000000677780 557053801 /nfs/dbraw/zinc/05/38/01/557053801.db2.gz INJREOUNBUMHSI-CQSZACIVSA-N 0 0 400.809 4.800 50 0 HJAARN CCc1ccc(OCc2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)n2C)cc1 ZINC000000682081 557056272 /nfs/dbraw/zinc/05/62/72/557056272.db2.gz NMHOOPZBMVVKGT-UHFFFAOYSA-N 0 0 424.570 4.613 50 0 HJAARN Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)c1 ZINC000000682394 557056590 /nfs/dbraw/zinc/05/65/90/557056590.db2.gz KAKHZVZFKUXOBF-LLVKDONJSA-N 0 0 413.109 4.926 50 0 HJAARN Cc1cc(C)c(NC(=O)CSc2nnc([C@H](C)Oc3ccccc3)n2C)c(C)c1 ZINC000000687545 557059089 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O=C(c1ccccc1Cl)N1NC(C(F)(F)F)=C[C@@]1(O)c1ccc(Cl)cc1 ZINC000000726966 557073564 /nfs/dbraw/zinc/07/35/64/557073564.db2.gz TVJLIHOKQUYNBO-MRXNPFEDSA-N 0 0 403.187 4.603 50 0 HJAARN COC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000000727725 557073871 /nfs/dbraw/zinc/07/38/71/557073871.db2.gz QECJOAHCFFMVCW-VIFPVBQESA-N 0 0 402.661 4.839 50 0 HJAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000000730380 557074990 /nfs/dbraw/zinc/07/49/90/557074990.db2.gz KOFZKQPLUFVJPT-KRWDZBQOSA-N 0 0 414.571 4.800 50 0 HJAARN O=C(Nc1nccs1)c1cccc2c1-c1ccc(I)cc1C2 ZINC000000792672 557081849 /nfs/dbraw/zinc/08/18/49/557081849.db2.gz HGSDFDLPMCYTLM-UHFFFAOYSA-N 0 0 418.259 4.571 50 0 HJAARN COc1ccc(Cc2nnc(NC(=O)c3c(Cl)cccc3Cl)s2)cc1OC ZINC000000804666 557086275 /nfs/dbraw/zinc/08/62/75/557086275.db2.gz RENDFPNXQPMVKD-UHFFFAOYSA-N 0 0 424.309 4.705 50 0 HJAARN COc1ccccc1C(=O)N[C@@H](Nc1cc(C)ccc1C)C(Cl)(Cl)Cl ZINC000000808600 557086839 /nfs/dbraw/zinc/08/68/39/557086839.db2.gz AYZRPBQSVIEEFM-QGZVFWFLSA-N 0 0 401.721 4.850 50 0 HJAARN O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1Cl ZINC000000808539 557086922 /nfs/dbraw/zinc/08/69/22/557086922.db2.gz XBOXQAJFRDMQLJ-UHFFFAOYSA-N 0 0 404.850 4.532 50 0 HJAARN CC(=O)Cc1nsc(NC(=O)c2cc(-c3cccc(C(F)(F)F)c3)oc2C)n1 ZINC000000812148 557087769 /nfs/dbraw/zinc/08/77/69/557087769.db2.gz VTTBPXATVITFMS-UHFFFAOYSA-N 0 0 409.389 4.509 50 0 aggregator HJAARN O=C(NC(c1ccccc1)c1ccccc1)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000000811372 557087822 /nfs/dbraw/zinc/08/78/22/557087822.db2.gz AMIDRLKUOXZBAI-CLCOLTQESA-N 0 0 422.484 4.956 50 0 HJAARN O=C(Nc1cccc(Cl)c1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000000827098 557094426 /nfs/dbraw/zinc/09/44/26/557094426.db2.gz LCEOIEHMTPTBRL-UHFFFAOYSA-N 0 0 406.751 4.914 50 0 HJAARN COc1cc(/C=C2/N=C(c3cccs3)OC2=O)ccc1OCc1ccccc1C ZINC000000835791 557096427 /nfs/dbraw/zinc/09/64/27/557096427.db2.gz UYIVXYPSXUQQKD-LDADJPATSA-N 0 0 405.475 4.989 50 0 HJAARN Cc1ccc(C(=O)COC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000000836531 557096789 /nfs/dbraw/zinc/09/67/89/557096789.db2.gz NCKAGOMPSOHPDI-UHFFFAOYSA-N 0 0 407.853 4.940 50 0 HJAARN CN(c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000000840013 557097434 /nfs/dbraw/zinc/09/74/34/557097434.db2.gz ATHFJBVJRDHAQR-UHFFFAOYSA-N 0 0 418.877 4.557 50 0 HJAARN O=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1)N1CCCCCC1 ZINC000000844972 557098938 /nfs/dbraw/zinc/09/89/38/557098938.db2.gz ZPRMVXIWDAGRNB-UHFFFAOYSA-N 0 0 406.383 4.570 50 0 HJAARN O=C(OCc1ccccc1)c1ccc2c(c1)C(=O)N(c1cccc3ccccc31)C2=O ZINC000000851653 557101032 /nfs/dbraw/zinc/10/10/32/557101032.db2.gz PQYDUWRFKZJTCL-UHFFFAOYSA-N 0 0 407.425 4.997 50 0 HJAARN CCOc1ccccc1NC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O ZINC000000864991 557105214 /nfs/dbraw/zinc/10/52/14/557105214.db2.gz BRIPRQAPSFTMHV-MRXNPFEDSA-N 0 0 410.417 4.546 50 0 HJAARN CCOC(=O)c1c(C)c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)sc1N ZINC000000867639 557106554 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CC1=NC(=S)N[C@H](c2ccc(Cl)c(Cl)c2)C1C(=O)OCc1ccccc1 ZINC000004185173 557526340 /nfs/dbraw/zinc/52/63/40/557526340.db2.gz SCAAJUJHIIYDIP-QGZVFWFLSA-N 0 0 407.322 4.530 50 0 HJAARN Cc1ccccc1-n1c(SCC(=O)N2CCC(C)CC2)nnc1-c1ccc(F)cc1 ZINC000004211119 557529111 /nfs/dbraw/zinc/52/91/11/557529111.db2.gz OUSGUOQINCBTBM-UHFFFAOYSA-N 0 0 424.545 4.732 50 0 HJAARN CCOC(=O)c1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(C(=O)OCC)c1C ZINC000004350611 557545048 /nfs/dbraw/zinc/54/50/48/557545048.db2.gz GHDSXPTWBLLTOB-UHFFFAOYSA-N 0 0 419.543 4.565 50 0 HJAARN CC(C)(C)NC(=O)[C@H]1C[C@H]2CCCC[C@H]2CN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004394967 557551780 /nfs/dbraw/zinc/55/17/80/557551780.db2.gz UCSJJQOXQUDCQH-YJFBYJGHSA-N 0 0 400.607 4.525 50 0 HJAARN COc1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1 ZINC000004412853 557552714 /nfs/dbraw/zinc/55/27/14/557552714.db2.gz ATLRTHAXFJGNBZ-UHFFFAOYSA-N 0 0 409.829 4.569 50 0 HJAARN Cc1[nH]c2ccccc2c1[C@]1(O)c2ccccc2N(Cc2ccccc2Cl)C1=O ZINC000004544061 557565260 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COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)N(C(C)=O)c1ccccc1CC2 ZINC000004727435 557587722 /nfs/dbraw/zinc/58/77/22/557587722.db2.gz KTNRFPKZAPBGNY-UHFFFAOYSA-N 0 0 416.477 4.739 50 0 HJAARN COc1cc(C)c(NC(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)cc1C ZINC000004757831 557595073 /nfs/dbraw/zinc/59/50/73/557595073.db2.gz FTHRTINYZZOHDH-UHFFFAOYSA-N 0 0 402.450 4.729 50 0 HJAARN O=C(CN1CCCCC1)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCC2 ZINC000004845048 557605477 /nfs/dbraw/zinc/60/54/77/557605477.db2.gz QFYUMQHALXRUKL-UHFFFAOYSA-N 0 0 417.962 4.567 50 0 HJAARN Cc1ccc(COC(=O)C2=C(C)NC(=O)C[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000004913363 557613230 /nfs/dbraw/zinc/61/32/30/557613230.db2.gz BZQWNRJDTHHMQR-QGZVFWFLSA-N 0 0 404.293 4.923 50 0 HJAARN COC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)/C=C(\C)c2ccccc2)cc1 ZINC000004953539 557616785 /nfs/dbraw/zinc/61/67/85/557616785.db2.gz BIEPVSKHJFJYKZ-WUKNDPDISA-N 0 0 414.461 4.768 50 0 HJAARN Cc1cccc(C(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CC[C@H](C)C3)c1 ZINC000005046496 557629464 /nfs/dbraw/zinc/62/94/64/557629464.db2.gz XVYHOSRTKIPFIW-HNNXBMFYSA-N 0 0 408.523 4.957 50 0 HJAARN O=C(CN1c2ccccc2S[C@@H](c2ccco2)CC1=O)Nc1ccc(F)cc1F ZINC000005053329 557630907 /nfs/dbraw/zinc/63/09/07/557630907.db2.gz PLIOYZWPKIQPLN-LJQANCHMSA-N 0 0 414.433 4.767 50 0 HJAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)NCCc2ccc(C)cc2)c1C ZINC000005054018 557631113 /nfs/dbraw/zinc/63/11/13/557631113.db2.gz UFGJWOKLJRIDJV-UHFFFAOYSA-N 0 0 418.537 4.616 50 0 HJAARN Cc1cccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccccc2OC2CCCC2)c1 ZINC000005063905 557633176 /nfs/dbraw/zinc/63/31/76/557633176.db2.gz DXGHCIMQBINKEO-JOCHJYFZSA-N 0 0 421.566 4.748 50 0 HJAARN Fc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2cccs2)cc1 ZINC000005065773 557633899 /nfs/dbraw/zinc/63/38/99/557633899.db2.gz IKCGWVUTHIGBAR-LEWJYISDSA-N 0 0 402.454 4.691 50 0 HJAARN CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000005090848 557634649 /nfs/dbraw/zinc/63/46/49/557634649.db2.gz IDQPQUMXLZZRQT-UHFFFAOYSA-N 0 0 413.886 4.685 50 0 HJAARN Cc1cc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccccc2F)no1 ZINC000005322184 557644682 /nfs/dbraw/zinc/64/46/82/557644682.db2.gz SSZHUXLAMFLHPV-HXUWFJFHSA-N 0 0 404.397 4.595 50 0 HJAARN Cc1cc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@@H]2c2ccccc2)no1 ZINC000005322887 557644849 /nfs/dbraw/zinc/64/48/49/557644849.db2.gz NMIIRWXMWNQLMY-IBGZPJMESA-N 0 0 406.825 4.801 50 0 HJAARN Cc1cc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@H]2c2ccccc2)no1 ZINC000005322885 557644936 /nfs/dbraw/zinc/64/49/36/557644936.db2.gz NMIIRWXMWNQLMY-LJQANCHMSA-N 0 0 406.825 4.801 50 0 HJAARN COc1ccc(N2C(=O)C[C@@]2(C(=O)Nc2c(C)cccc2C)c2cccs2)cc1 ZINC000005451004 557654669 /nfs/dbraw/zinc/65/46/69/557654669.db2.gz WVQLKCCPWBCOFR-QHCPKHFHSA-N 0 0 406.507 4.644 50 0 HJAARN CCc1ccccc1NC(=O)COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000005557188 557661814 /nfs/dbraw/zinc/66/18/14/557661814.db2.gz XZEFWPBIGNGLLI-UHFFFAOYSA-N 0 0 415.445 4.746 50 0 biogenic HJAARN Cc1cc(C)c(OCC(=O)Nc2ccc(N3CCCC3)cc2)c(Br)c1 ZINC000005612719 557665172 /nfs/dbraw/zinc/66/51/72/557665172.db2.gz MOLIJYZUWPYXIZ-UHFFFAOYSA-N 0 0 403.320 4.684 50 0 HJAARN C[C@H]1CO[C@@](Cn2cncn2)(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)O1 ZINC000005752094 557672879 /nfs/dbraw/zinc/67/28/79/557672879.db2.gz BQYJATMQXGBDHF-ORAYPTAESA-N 0 0 406.269 4.666 50 0 in-vitro HJAARN Cc1ccc(/C=c2/sc3nc(-c4sc5ccccc5c4Cl)nn3c2=O)cc1 ZINC000005793976 557674684 /nfs/dbraw/zinc/67/46/84/557674684.db2.gz CFPSSPZEIGBRIT-XNTDXEJSSA-N 0 0 409.923 4.542 50 0 HJAARN C[C@H](NC(=O)COC(=O)c1ccc(COc2ccccc2)o1)c1ccccc1Cl ZINC000010564440 557682655 /nfs/dbraw/zinc/68/26/55/557682655.db2.gz BFTLTBPOXXEOGQ-HNNXBMFYSA-N 0 0 413.857 4.546 50 0 HJAARN O=C(CSc1nccn1-c1ccc(F)cc1)Nc1ccc(Br)cc1 ZINC000002468224 557711208 /nfs/dbraw/zinc/71/12/08/557711208.db2.gz ZKBGMNWUWDTMDK-UHFFFAOYSA-N 0 0 406.280 4.505 50 0 HJAARN CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1 ZINC000022666533 557719965 /nfs/dbraw/zinc/71/99/65/557719965.db2.gz GILNCFRMWWKFCP-UHFFFAOYSA-N 0 0 420.534 4.643 50 0 HJAARN CCc1ccc(NC(=O)Cn2nc(-c3cc(C)ccc3C)c3c(c2=O)CCCC3)cc1 ZINC000006767396 557720374 /nfs/dbraw/zinc/72/03/74/557720374.db2.gz WIJDKPXMKBDQMB-UHFFFAOYSA-N 0 0 415.537 4.607 50 0 HJAARN CCCCC1CCC(C(=O)N(Cc2sccc2C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000006810264 557722741 /nfs/dbraw/zinc/72/27/41/557722741.db2.gz RKKOYWFAGMTKPF-CTWPCTMYSA-N 0 0 411.633 4.569 50 0 HJAARN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)Nc1ccccc1 ZINC000006816255 557724909 /nfs/dbraw/zinc/72/49/09/557724909.db2.gz GISOXKCYQZQLHN-UHFFFAOYSA-N 0 0 400.507 4.589 50 0 HJAARN Cc1ccc(COC(=O)C2=C(C)NC(=O)C[C@H]2c2c(Cl)cccc2Cl)cc1 ZINC000006819453 557725092 /nfs/dbraw/zinc/72/50/92/557725092.db2.gz XYPVKXLTTYTUEM-OAHLLOKOSA-N 0 0 404.293 4.923 50 0 HJAARN CCc1cccc(CC)c1NC(=O)CSc1nnc2c3cc(C)cc(C)c3[nH]c2n1 ZINC000006860435 557727234 /nfs/dbraw/zinc/72/72/34/557727234.db2.gz IERLTCBCAVVLFT-UHFFFAOYSA-N 0 0 419.554 4.979 50 0 HJAARN Cc1ccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2ccccc2)C3=O)cc1C ZINC000006997015 557732514 /nfs/dbraw/zinc/73/25/14/557732514.db2.gz OLDMWMGPZWYABQ-VWLOTQADSA-N 0 0 414.530 4.783 50 0 HJAARN Cc1ccc(CN2c3ccccc3[C@]3(SCC(=O)N3c3ccc(C)cc3)C2=O)cc1 ZINC000006997126 557732665 /nfs/dbraw/zinc/73/26/65/557732665.db2.gz UWFDCFRLYPRGOG-VWLOTQADSA-N 0 0 414.530 4.783 50 0 HJAARN CCc1ccc(N2C(=O)CS[C@]23c2ccccc2N(Cc2ccccc2)C3=O)cc1 ZINC000006997082 557732690 /nfs/dbraw/zinc/73/26/90/557732690.db2.gz LGVSCJVUAJHSSG-VWLOTQADSA-N 0 0 414.530 4.729 50 0 HJAARN Cc1cc(Cl)ccc1OCC(=O)NCc1ccc(-c2nc3ncccc3o2)cc1 ZINC000007389675 557740928 /nfs/dbraw/zinc/74/09/28/557740928.db2.gz BNZYBDXJEZMYJS-UHFFFAOYSA-N 0 0 407.857 4.547 50 0 HJAARN CCc1ccc(NC(=O)CN2C(=O)C(c3ccc(C(C)(C)C)cc3)=NC2(C)C)cc1 ZINC000002694296 557741289 /nfs/dbraw/zinc/74/12/89/557741289.db2.gz YIYONBUXDUQBIG-UHFFFAOYSA-N 0 0 405.542 4.553 50 0 HJAARN O=C(Nc1nc(-c2ccc(I)cc2)cs1)c1cccs1 ZINC000002699357 557741676 /nfs/dbraw/zinc/74/16/76/557741676.db2.gz TUEIWYDNYHSCAL-UHFFFAOYSA-N 0 0 412.277 4.729 50 0 HJAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccc(O)c2)N1Cc1ccc(F)cc1 ZINC000002704497 557743404 /nfs/dbraw/zinc/74/34/04/557743404.db2.gz YJMBJBBFEIOECJ-OAQYLSRUSA-N 0 0 419.383 4.522 50 0 HJAARN Cc1cccc(NC(=O)COc2cccc3c2CCN(Cc2ccccc2C)C3=O)c1 ZINC000002716584 557750793 /nfs/dbraw/zinc/75/07/93/557750793.db2.gz SARWEUWINRPJBG-UHFFFAOYSA-N 0 0 414.505 4.519 50 0 HJAARN Cc1ccc(C)c(CSc2nc3ccccc3c(=O)n2CCn2cc(Cl)cn2)c1 ZINC000002733701 557755145 /nfs/dbraw/zinc/75/51/45/557755145.db2.gz FDURNTNTLACHLX-UHFFFAOYSA-N 0 0 424.957 4.856 50 0 HJAARN CCOC(=O)c1c(NC(=O)c2ccc(OC(F)F)cc2)sc2c1CC[C@@H](C)C2 ZINC000002743587 557756617 /nfs/dbraw/zinc/75/66/17/557756617.db2.gz BTSGDHOUMHIVQL-LLVKDONJSA-N 0 0 409.454 4.903 50 0 HJAARN O=C(c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)N1CCc2ccccc21 ZINC000002774916 557760605 /nfs/dbraw/zinc/76/06/05/557760605.db2.gz LELFOOZIKNVNDX-UHFFFAOYSA-N 0 0 414.412 4.680 50 0 HJAARN CCC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(-c5c(Cl)cnn5C)nc4c23)C1 ZINC000002797753 557761937 /nfs/dbraw/zinc/76/19/37/557761937.db2.gz FVQRIAMHKYTYNE-LLVKDONJSA-N 0 0 414.966 4.934 50 0 HJAARN Cc1cc(=O)oc2cc(NC(=O)c3ccn(COc4ccc(C(C)C)cc4)n3)ccc12 ZINC000002798985 557762304 /nfs/dbraw/zinc/76/23/04/557762304.db2.gz LXCAIUBMDCOPHW-UHFFFAOYSA-N 0 0 417.465 4.710 50 0 HJAARN CCc1ccccc1NC(=S)N1CCN(C(=S)Nc2ccccc2CC)CC1 ZINC000002799189 557762373 /nfs/dbraw/zinc/76/23/73/557762373.db2.gz KAPXPDFCJHBNCA-UHFFFAOYSA-N 0 0 412.628 4.523 50 0 HJAARN COc1cc(NC(=O)c2cccc(C)c2)cc(S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000002800231 557762614 /nfs/dbraw/zinc/76/26/14/557762614.db2.gz USAIUPQZXVBWPO-UHFFFAOYSA-N 0 0 415.898 4.742 50 0 HJAARN O=C(Nc1ccc2c(c1)CCC2)c1ccn(COc2ccc(Cl)cc2Cl)n1 ZINC000002794309 557765079 /nfs/dbraw/zinc/76/50/79/557765079.db2.gz NLUMPQNCXJRKAO-UHFFFAOYSA-N 0 0 402.281 4.967 50 0 HJAARN CCn1nccc1CN(C)C(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000002795587 557765301 /nfs/dbraw/zinc/76/53/01/557765301.db2.gz FBSHLRIFIBDGRO-UHFFFAOYSA-N 0 0 408.285 4.654 50 0 HJAARN COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc3sc(C(N)=O)c(N)c32)cc1 ZINC000002890777 557770418 /nfs/dbraw/zinc/77/04/18/557770418.db2.gz SKAWKEKLGVFRKT-UHFFFAOYSA-N 0 0 409.898 4.973 50 0 HJAARN CCCCCSc1nnc2c(n1)O[C@H](c1ccccn1)N(C(C)=O)c1ccccc1-2 ZINC000008036180 557770756 /nfs/dbraw/zinc/77/07/56/557770756.db2.gz MQPGUWIYQOPHBM-OAQYLSRUSA-N 0 0 421.526 4.660 50 0 HJAARN Cc1cccc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)c(Cl)c2)c1 ZINC000008188998 557774967 /nfs/dbraw/zinc/77/49/67/557774967.db2.gz GNQZQBNIDZARKH-UHFFFAOYSA-N 0 0 400.887 4.980 50 0 HJAARN Cc1cc(N2C(=O)c3ccc(C(=O)c4ccccc4)cc3C2=O)ccc1Br ZINC000003009610 557779180 /nfs/dbraw/zinc/77/91/80/557779180.db2.gz WWRZAPAJQRBEHN-UHFFFAOYSA-N 0 0 420.262 4.789 50 0 HJAARN O=C(OC[C@H]1CCCCO1)c1cccnc1Oc1ccc(F)cc1Br ZINC000097405512 557793694 /nfs/dbraw/zinc/79/36/94/557793694.db2.gz OUNXKWKGTHUVOR-CYBMUJFWSA-N 0 0 410.239 4.501 50 0 HJAARN O=C1CS[C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)N1c1ccc(Cl)cc1 ZINC000008583776 557795648 /nfs/dbraw/zinc/79/56/48/557795648.db2.gz WETPEYNHAFWCBO-HSZRJFAPSA-N 0 0 420.921 4.820 50 0 HJAARN Cc1ccc([C@H]2c3c(-c4ccc(C)cc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1 ZINC000008845676 557811934 /nfs/dbraw/zinc/81/19/34/557811934.db2.gz QKYYKBRRLKKOHS-DEOSSOPVSA-N 0 0 410.477 4.540 50 0 HJAARN COc1ccccc1NC(=O)Nc1nnc(Cc2cccc(Br)c2)s1 ZINC000009137380 557824729 /nfs/dbraw/zinc/82/47/29/557824729.db2.gz FRVBJFKBTQMOIN-UHFFFAOYSA-N 0 0 419.304 4.544 50 0 HJAARN COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(Br)o1 ZINC000009186315 557825442 /nfs/dbraw/zinc/82/54/42/557825442.db2.gz UOYRKQHTQSXXJD-UHFFFAOYSA-N 0 0 414.215 4.506 50 0 HJAARN COc1ccc(-c2nnc3sc(COc4cccc5ccccc54)nn32)cc1OC ZINC000009430100 557843021 /nfs/dbraw/zinc/84/30/21/557843021.db2.gz GCGJINBSLINHCY-UHFFFAOYSA-N 0 0 418.478 4.602 50 0 HJAARN Cc1ccc(C(=O)[C@H](CC(=O)c2ccsc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000009591940 557846346 /nfs/dbraw/zinc/84/63/46/557846346.db2.gz LJQQVPDRQTVNRE-NRFANRHFSA-N 0 0 412.532 4.663 50 0 HJAARN O=C1N/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N1Cc1ccccc1F ZINC000009846155 557850238 /nfs/dbraw/zinc/85/02/38/557850238.db2.gz SPZNKVHMPCTPRF-LPYMAVHISA-N 0 0 420.415 4.637 50 0 HJAARN Cc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3cccc(F)c3)c2c1 ZINC000010272824 557857928 /nfs/dbraw/zinc/85/79/28/557857928.db2.gz UYEIMFRTQLHJIZ-UHFFFAOYSA-N 0 0 415.468 4.700 50 0 HJAARN CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3ccccc3C(C)C)cc2)CC1=O ZINC000010461925 558257734 /nfs/dbraw/zinc/25/77/34/558257734.db2.gz XYPBQTNVBVJAOS-LJQANCHMSA-N 0 0 421.541 4.649 50 0 HJAARN CCOc1ccccc1NC(=O)N1CCS[C@H](c2ccc3c(c2)OCO3)CC1 ZINC000219243886 558261919 /nfs/dbraw/zinc/26/19/19/558261919.db2.gz DGINYDBYUPITSB-FQEVSTJZSA-N 0 0 400.500 4.526 50 0 HJAARN O=C(NCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1)c1ccco1 ZINC000011667232 558269148 /nfs/dbraw/zinc/26/91/48/558269148.db2.gz GBDHSIDLLUWDIJ-UHFFFAOYSA-N 0 0 409.873 4.682 50 0 HJAARN C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1ccc(Br)cc1 ZINC000011667292 558269357 /nfs/dbraw/zinc/26/93/57/558269357.db2.gz SDHYOZLVKIHSPE-CQSZACIVSA-N 0 0 424.298 4.931 50 0 HJAARN CCN1c2ccc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)c3cccc(c23)C1=O ZINC000011691635 558270257 /nfs/dbraw/zinc/27/02/57/558270257.db2.gz PSWQSFXPPPKJKM-UHFFFAOYSA-N 0 0 421.305 4.928 50 0 HJAARN Cc1cc2cc(C(=O)N3CCC[C@H](CNC(=O)c4cc5ccccc5[nH]4)C3)ccc2o1 ZINC000011711257 558271430 /nfs/dbraw/zinc/27/14/30/558271430.db2.gz VZWBEAHLDLYFRG-QGZVFWFLSA-N 0 0 415.493 4.505 50 0 HJAARN CCOC(=O)[C@@]1(CCCc2ccccc2)CCCN(C(=O)c2ccc(C(C)=O)cc2)C1 ZINC000011771782 558274544 /nfs/dbraw/zinc/27/45/44/558274544.db2.gz LIMCVFGXINWPLI-SANMLTNESA-N 0 0 421.537 4.698 50 0 HJAARN CCc1cc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(OC)cc2F)no1 ZINC000011813082 558277704 /nfs/dbraw/zinc/27/77/04/558277704.db2.gz RBSDWGCZNUOETF-QHCPKHFHSA-N 0 0 419.456 4.654 50 0 HJAARN O=C(C[C@@H]1C(=O)N(C2CCCCC2)c2nc3ccccc3n21)Nc1ccc(F)c(F)c1 ZINC000019817427 558287951 /nfs/dbraw/zinc/28/79/51/558287951.db2.gz BCEHXVBQEIGBRZ-HXUWFJFHSA-N 0 0 424.451 4.564 50 0 HJAARN Cc1cccc(-n2c(=O)c3c4c(sc3[nH]c2=S)CN(Cc2ccccc2)CC4)c1 ZINC000019819701 558290108 /nfs/dbraw/zinc/29/01/08/558290108.db2.gz UQGGKZNKLSRHCA-UHFFFAOYSA-N 0 0 419.575 4.977 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)CC2CCCC2)C1 ZINC000011879903 558294494 /nfs/dbraw/zinc/29/44/94/558294494.db2.gz SFPQZYSMVOTLKP-QGZVFWFLSA-N 0 0 406.954 4.886 50 0 HJAARN Cc1c2cc(C)cc(Cl)c2oc1C(=O)N1CCC(CCN2CCCC2=O)CC1 ZINC000011932777 558297732 /nfs/dbraw/zinc/29/77/32/558297732.db2.gz OFQHBVMIDOYYFX-UHFFFAOYSA-N 0 0 402.922 4.568 50 0 HJAARN CCc1c(C(=O)Nc2c(C)cc(C)cc2C)nnn1-c1ccc(OC(F)F)cc1 ZINC000019911130 558306627 /nfs/dbraw/zinc/30/66/27/558306627.db2.gz JVRVRRXNGMETPY-UHFFFAOYSA-N 0 0 400.429 4.609 50 0 HJAARN CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)Cc2cccs2)C3)c1 ZINC000012035265 558311551 /nfs/dbraw/zinc/31/15/51/558311551.db2.gz OTVIFSMGBYTUIU-GOSISDBHSA-N 0 0 423.509 4.728 50 0 HJAARN C[C@@H](Oc1ccccc1F)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019938361 558312962 /nfs/dbraw/zinc/31/29/62/558312962.db2.gz SEULJEZGONHHKG-HXUWFJFHSA-N 0 0 418.512 4.527 50 0 HJAARN Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)c(C)c2)C1=O ZINC000019938967 558313206 /nfs/dbraw/zinc/31/32/06/558313206.db2.gz FPQBKZQHKBUZKQ-RGVLZGJSSA-N 0 0 419.506 4.768 50 0 HJAARN CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(C(=O)C2=CCCC2)CC1 ZINC000012057274 558316374 /nfs/dbraw/zinc/31/63/74/558316374.db2.gz ZTDYRAOUWYLJGB-UHFFFAOYSA-N 0 0 409.448 4.530 50 0 HJAARN CN(C[C@@H]1Cc2ccccc2O1)C(=O)c1ccc2oc(CCc3ccccc3)nc2c1 ZINC000012057035 558316399 /nfs/dbraw/zinc/31/63/99/558316399.db2.gz GZJVYNWGZDWLIG-NRFANRHFSA-N 0 0 412.489 4.689 50 0 HJAARN CCCCNc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 ZINC000020029342 558323568 /nfs/dbraw/zinc/32/35/68/558323568.db2.gz SOTLYGPEXYBOOA-UHFFFAOYSA-N 0 0 411.575 4.903 50 0 HJAARN Cc1c(C(=O)NC[C@H](C)c2ccccc2)sc2ncnc(NCc3ccco3)c12 ZINC000012097659 558325275 /nfs/dbraw/zinc/32/52/75/558325275.db2.gz UOIHXHXZFDWNEB-AWEZNQCLSA-N 0 0 406.511 4.738 50 0 HJAARN Cc1c2cc(Cl)ccc2[nH]c1C(=O)NC[C@H]1Cc2cccc(-c3cccnc3)c2O1 ZINC000012097638 558325312 /nfs/dbraw/zinc/32/53/12/558325312.db2.gz AADKGSYYXZSJPT-GOSISDBHSA-N 0 0 417.896 4.925 50 0 HJAARN C[C@H](Oc1ccc(F)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020166851 558342901 /nfs/dbraw/zinc/34/29/01/558342901.db2.gz DXYGHXJEWPQNKR-FQEVSTJZSA-N 0 0 418.512 4.527 50 0 HJAARN CN(c1ccc(C(=O)c2ccccc2)cc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000020219929 558348599 /nfs/dbraw/zinc/34/85/99/558348599.db2.gz REQTYIVHWMUZCG-UHFFFAOYSA-N 0 0 401.487 4.896 50 0 HJAARN CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)c1cn(CCc2ccccc2)nn1 ZINC000012202487 558351700 /nfs/dbraw/zinc/35/17/00/558351700.db2.gz BLAGBLDGSXANRB-UHFFFAOYSA-N 0 0 412.493 4.585 50 0 HJAARN O=C(c1cccc2ccccc21)[C@H]1CCCN(C(=O)c2cccc(Cn3cccn3)c2)C1 ZINC000012206642 558352987 /nfs/dbraw/zinc/35/29/87/558352987.db2.gz GWVMRCUWAJFXKH-QHCPKHFHSA-N 0 0 423.516 4.820 50 0 HJAARN CSCc1ccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccn2)o1 ZINC000012207230 558353287 /nfs/dbraw/zinc/35/32/87/558353287.db2.gz AOJZSOMENBHLQC-QFIPXVFZSA-N 0 0 403.507 4.807 50 0 HJAARN O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCCN(C(=O)C2=CCCCC2)C1 ZINC000012208471 558353482 /nfs/dbraw/zinc/35/34/82/558353482.db2.gz FOQXYQVKJJZNIZ-LJQANCHMSA-N 0 0 405.498 4.551 50 0 HJAARN Cc1cccc(C(=O)N2CCC[C@@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000012210317 558353805 /nfs/dbraw/zinc/35/38/05/558353805.db2.gz XQBUWNJJEJQXSY-INIZCTEOSA-N 0 0 419.447 4.680 50 0 HJAARN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)[C@@H](C)c2ccccc2)C3)s1 ZINC000012218284 558354494 /nfs/dbraw/zinc/35/44/94/558354494.db2.gz VCZARBXVHYKPIY-IFXJQAMLSA-N 0 0 423.509 4.980 50 0 HJAARN CCCCCNc1nc2sc3c(c2c(=O)n1-c1cccc(Cl)c1)CCN(C)C3 ZINC000020357471 558357832 /nfs/dbraw/zinc/35/78/32/558357832.db2.gz WTAZIEHLCVYPOP-UHFFFAOYSA-N 0 0 416.978 4.691 50 0 HJAARN Cc1ccc(CNCc2cc3cc4c(cc3nc2OCc2cccc(F)c2)OCO4)o1 ZINC000012247901 558362020 /nfs/dbraw/zinc/36/20/20/558362020.db2.gz ZDRYNACVSBFBMU-UHFFFAOYSA-N 0 0 420.440 4.873 50 0 HJAARN Cc1ccccc1-c1cn2c(C(=O)NCc3cc(-c4ccccc4)n[nH]3)csc2n1 ZINC000012300696 558370608 /nfs/dbraw/zinc/37/06/08/558370608.db2.gz JVRJDAPHHPBEFF-UHFFFAOYSA-N 0 0 413.506 4.691 50 0 HJAARN Cc1cc(F)ccc1NC(=O)CC[C@H]1CCCN(C(=O)CCc2ccccc2F)C1 ZINC000012303550 558373073 /nfs/dbraw/zinc/37/30/73/558373073.db2.gz PAEVCKLYAMXNLV-GOSISDBHSA-N 0 0 414.496 4.863 50 0 HJAARN CCn1cc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2cccc(OC)c2)c(C)n1 ZINC000020598787 558386244 /nfs/dbraw/zinc/38/62/44/558386244.db2.gz AFEPGCWUZSBSPH-RUZDIDTESA-N 0 0 400.526 4.849 50 0 HJAARN COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3ccc(F)cc3)n2)cc1OC ZINC000012371368 558389493 /nfs/dbraw/zinc/38/94/93/558389493.db2.gz RFKHHJXWYZZAAJ-UHFFFAOYSA-N 0 0 419.412 4.812 50 0 HJAARN COc1cccc(OC)c1C(=O)Nc1nnc(SCc2ccccc2Cl)s1 ZINC000012371623 558389585 /nfs/dbraw/zinc/38/95/85/558389585.db2.gz IVHXOCRYBCFWGV-UHFFFAOYSA-N 0 0 421.931 4.753 50 0 HJAARN CCn1nccc1NC(=O)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1 ZINC000020615954 558392735 /nfs/dbraw/zinc/39/27/35/558392735.db2.gz WVAXDKBGSRNKEN-UHFFFAOYSA-N 0 0 405.405 4.575 50 0 HJAARN O=C(NC[C@H]1CCCO1)c1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000012404220 558397849 /nfs/dbraw/zinc/39/78/49/558397849.db2.gz FPEPFSHCMAEZAW-HSZRJFAPSA-N 0 0 400.478 4.515 50 0 HJAARN COc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3ccc(F)cc3)cc(=O)c2c1 ZINC000012407549 558398504 /nfs/dbraw/zinc/39/85/04/558398504.db2.gz HPELYNILAXGBMD-UHFFFAOYSA-N 0 0 419.408 4.869 50 0 HJAARN CCc1ccc(-n2ncc3c2NC(=O)C[C@@]32C(=O)Nc3ccc(C(C)C)cc32)cc1 ZINC000020715227 558401145 /nfs/dbraw/zinc/40/11/45/558401145.db2.gz CPHHPGYKAYQPJM-DEOSSOPVSA-N 0 0 400.482 4.788 50 0 HJAARN CCc1ccc(-n2ncc3c2NC(=O)C[C@]32C(=O)Nc3ccc(C(C)C)cc32)cc1 ZINC000020715231 558401157 /nfs/dbraw/zinc/40/11/57/558401157.db2.gz CPHHPGYKAYQPJM-XMMPIXPASA-N 0 0 400.482 4.788 50 0 HJAARN O=C1N(Cc2ccccc2)c2ccccc2[C@@]12CC(=O)Nc1c2cnn1-c1ccccc1 ZINC000020716921 558401620 /nfs/dbraw/zinc/40/16/20/558401620.db2.gz QEEDXPLOFRNCJM-AREMUKBSSA-N 0 0 420.472 4.697 50 0 HJAARN COc1cc(N2CCn3c(nc4cccc(Cl)c43)C2)ccc1NC(=O)c1ccco1 ZINC000012418966 558402770 /nfs/dbraw/zinc/40/27/70/558402770.db2.gz JQCQUWCKAFZAIB-UHFFFAOYSA-N 0 0 422.872 4.564 50 0 HJAARN COc1ccc(OC)c2[nH]c(C(=O)N3CCc4[nH]c5ccc(Cl)cc5c4C3)cc21 ZINC000020721893 558403181 /nfs/dbraw/zinc/40/31/81/558403181.db2.gz YKSRONSHINPDRX-UHFFFAOYSA-N 0 0 409.873 4.518 50 0 biogenic HJAARN Cn1c(COc2ccc3c(c2)OCO3)nnc1SCc1ccc(Cl)cc1Cl ZINC000012427824 558403505 /nfs/dbraw/zinc/40/35/05/558403505.db2.gz LFUAWKUSCLADEU-UHFFFAOYSA-N 0 0 424.309 4.722 50 0 HJAARN COc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(C)cc3)CC2=O)c1 ZINC000012447737 558415155 /nfs/dbraw/zinc/41/51/55/558415155.db2.gz XWKYOYYVWAOZGC-HXUWFJFHSA-N 0 0 411.505 4.922 50 0 HJAARN Cc1nc(CN(C)Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)cs1 ZINC000012459221 558418766 /nfs/dbraw/zinc/41/87/66/558418766.db2.gz CDVKROIFOMVPFK-UHFFFAOYSA-N 0 0 418.522 4.665 50 0 HJAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000020939550 558424623 /nfs/dbraw/zinc/42/46/23/558424623.db2.gz OZXNAXANOAQCFF-UHFFFAOYSA-N 0 0 424.570 4.715 50 0 HJAARN CCN(CC)C(=O)Oc1ccc2oc(=O)c(-c3ccc(OC)c(OC)c3)c(C)c2c1 ZINC000004340784 558424763 /nfs/dbraw/zinc/42/47/63/558424763.db2.gz KVYBLMOERCZYJA-UHFFFAOYSA-N 0 0 411.454 4.626 50 0 HJAARN Cc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1 ZINC000004341697 558425206 /nfs/dbraw/zinc/42/52/06/558425206.db2.gz KFXKTFCOQUQBHJ-UHFFFAOYSA-N 0 0 409.902 4.508 50 0 HJAARN O=C(CCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000021004172 558428481 /nfs/dbraw/zinc/42/84/81/558428481.db2.gz DLYBCVLVRFRDGV-UHFFFAOYSA-N 0 0 412.533 4.583 50 0 HJAARN COc1cccc(CNC(=O)CC[C@@H]2CCCN(c3nc4ccccc4s3)C2)c1 ZINC000012575245 558430623 /nfs/dbraw/zinc/43/06/23/558430623.db2.gz POICACDSTJRJSB-KRWDZBQOSA-N 0 0 409.555 4.618 50 0 HJAARN Cc1cc(C)cc(CCC(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)c1 ZINC000012582703 558433069 /nfs/dbraw/zinc/43/30/69/558433069.db2.gz IQFHCRLGSQSQLP-NRFANRHFSA-N 0 0 424.560 4.710 50 0 HJAARN Cc1cc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2cccc(Cl)c2)nn1C ZINC000012585275 558433886 /nfs/dbraw/zinc/43/38/86/558433886.db2.gz OBXJKCKOIYRWOO-QFIPXVFZSA-N 0 0 404.901 4.651 50 0 HJAARN Cc1cc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2cccc(Cl)c2)nn1C ZINC000012585287 558433931 /nfs/dbraw/zinc/43/39/31/558433931.db2.gz OBXJKCKOIYRWOO-JOCHJYFZSA-N 0 0 404.901 4.651 50 0 HJAARN O=C(CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1)N1C[C@H]2C[C@@H]1CCC2 ZINC000012613106 558439278 /nfs/dbraw/zinc/43/92/78/558439278.db2.gz IBEZFWOEWWAICX-KNQAVFIVSA-N 0 0 401.510 4.661 50 0 HJAARN Nc1nc2n(n1)[C@@H](c1cccc3ccccc31)C[C@H](c1ccc(Br)cc1)N2 ZINC000012630319 558441630 /nfs/dbraw/zinc/44/16/30/558441630.db2.gz YMMNVLNFTFHQPV-RTBURBONSA-N 0 0 420.314 4.922 50 0 HJAARN O=C(Nc1ccc2[nH]c(-c3cccs3)nc2c1)c1cccc(N2CCOC2=O)c1 ZINC000072059342 558444924 /nfs/dbraw/zinc/44/49/24/558444924.db2.gz FMUAPQOUJSYNFC-UHFFFAOYSA-N 0 0 404.451 4.500 50 0 HJAARN CC(=O)c1cccc(OCC(=O)N(Cc2ccco2)C23CC4CC(CC(C4)C2)C3)c1 ZINC000021678149 558445742 /nfs/dbraw/zinc/44/57/42/558445742.db2.gz AXMHJJVRFPVVTN-UHFFFAOYSA-N 0 0 407.510 4.859 50 0 HJAARN COC(=O)c1ccccc1CSc1nnc(-c2cccnc2)n1-c1ccccc1C ZINC000004357523 558446072 /nfs/dbraw/zinc/44/60/72/558446072.db2.gz QIOVDBPXVGOPPA-UHFFFAOYSA-N 0 0 416.506 4.717 50 0 HJAARN CC(C)CCSc1nc2c(c(=O)n1-c1ccc(OC(F)(F)F)cc1)SCC2 ZINC000004358885 558447246 /nfs/dbraw/zinc/44/72/46/558447246.db2.gz GIOIGEVTGLYFKQ-UHFFFAOYSA-N 0 0 416.490 4.918 50 0 HJAARN O=C(NCc1ccccc1-c1ccccc1)c1cn(Cc2ccccc2Cl)nn1 ZINC000012703074 558448495 /nfs/dbraw/zinc/44/84/95/558448495.db2.gz VHGKRHVGWHSVRB-UHFFFAOYSA-N 0 0 402.885 4.577 50 0 HJAARN Cc1cc(NCc2ccccn2)n2nc(C(F)(F)F)c(-c3ccc(F)cc3)c2n1 ZINC000021799164 558449819 /nfs/dbraw/zinc/44/98/19/558449819.db2.gz HJQOQXWVERRBOS-UHFFFAOYSA-N 0 0 401.367 4.870 50 0 HJAARN CCOc1ccc(-n2c(C)c(C)c3c4nc(-c5ccc(F)cc5)nn4cnc32)cc1 ZINC000021801375 558450059 /nfs/dbraw/zinc/45/00/59/558450059.db2.gz VDCXPHNWIFCVBR-UHFFFAOYSA-N 0 0 401.445 4.890 50 0 HJAARN COc1ccc(NC(=O)NCCC(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000021892732 558454202 /nfs/dbraw/zinc/45/42/02/558454202.db2.gz MFJRLSOHHUVQEQ-UHFFFAOYSA-N 0 0 405.454 4.638 50 0 HJAARN Cc1ccc(S(=O)(=O)C2(C(=O)N[C@H](C)CCc3ccccc3)CCCC2)cc1C ZINC000022058628 558460323 /nfs/dbraw/zinc/46/03/23/558460323.db2.gz UMWVHQYKKDWBHD-HXUWFJFHSA-N 0 0 413.583 4.527 50 0 HJAARN COc1ccc(-c2cc(C(=O)NC[C@H](c3ccco3)N(C)C)c3ccccc3n2)cc1 ZINC000012781643 558463026 /nfs/dbraw/zinc/46/30/26/558463026.db2.gz LJVCNWXUTOFMRI-HSZRJFAPSA-N 0 0 415.493 4.536 50 0 HJAARN C[C@H](SC(=S)N1CCCC1)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000022159987 558464964 /nfs/dbraw/zinc/46/49/64/558464964.db2.gz BURHLODVOIJISA-LBPRGKRZSA-N 0 0 401.582 4.827 50 0 HJAARN O=c1c2c(-c3ccccc3)csc2ncn1Cc1nc(-c2ccccc2Cl)no1 ZINC000012795096 558468299 /nfs/dbraw/zinc/46/82/99/558468299.db2.gz DWZJIQWJNFCOPB-UHFFFAOYSA-N 0 0 420.881 4.877 50 0 HJAARN CSc1ccccc1NC(=O)CCn1cnc2scc(-c3ccccc3)c2c1=O ZINC000012795551 558468470 /nfs/dbraw/zinc/46/84/70/558468470.db2.gz HFUKNBKVWSMKKJ-UHFFFAOYSA-N 0 0 421.547 4.876 50 0 HJAARN CC(C)c1ccccc1NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000012797592 558470050 /nfs/dbraw/zinc/47/00/50/558470050.db2.gz NQJSBRAOZOBIFQ-UHFFFAOYSA-N 0 0 414.571 4.556 50 0 HJAARN COc1ccc(C)cc1CN(C)C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000012798657 558470471 /nfs/dbraw/zinc/47/04/71/558470471.db2.gz JHXIHARMAQOKGJ-UHFFFAOYSA-N 0 0 413.477 4.993 50 0 HJAARN CC(=O)c1ccccc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000022240448 558471630 /nfs/dbraw/zinc/47/16/30/558471630.db2.gz JGIDKTYNEAXCOW-UHFFFAOYSA-N 0 0 407.779 4.999 50 0 HJAARN CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)N3c4ccccc4C[C@@H]3C)o2)cc1 ZINC000012803529 558472492 /nfs/dbraw/zinc/47/24/92/558472492.db2.gz ALCDGDXKAIURJU-GJZGRUSLSA-N 0 0 409.511 4.594 50 0 HJAARN Cc1cccc2c(=O)[nH]c(CSc3nc4c(n3-c3ccccc3)CCCC4)nc12 ZINC000022280247 558476017 /nfs/dbraw/zinc/47/60/17/558476017.db2.gz NFJFWBJZFDHHKS-UHFFFAOYSA-N 0 0 402.523 4.588 50 0 HJAARN CCN(CC)C(=O)c1ccc(Nc2nc3nc[nH]c3c(OCC3CCCCC3)n2)cc1 ZINC000022309248 558477452 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COc1ccc(Cl)cc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000023379450 558555213 /nfs/dbraw/zinc/55/52/13/558555213.db2.gz IXAMHLQGCSEHFA-UHFFFAOYSA-N 0 0 420.940 4.896 50 0 HJAARN COc1ccccc1-n1c(SCc2ccc(Cl)nc2)nnc1N1CCCCC1 ZINC000023382926 558555995 /nfs/dbraw/zinc/55/59/95/558555995.db2.gz XVDMMXJSOJFOSH-UHFFFAOYSA-N 0 0 415.950 4.607 50 0 HJAARN Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(Br)c(C)c2)cc1 ZINC000010916934 558562556 /nfs/dbraw/zinc/56/25/56/558562556.db2.gz QNLMUIBRGMKXPV-UHFFFAOYSA-N 0 0 417.332 4.626 50 0 HJAARN CCOC(=O)c1c(C)[nH]c(C)c1-c1csc(Cc2ccc(OC)c(OC)c2)n1 ZINC000023624761 558563856 /nfs/dbraw/zinc/56/38/56/558563856.db2.gz CETJFJZBXGWXAI-UHFFFAOYSA-N 0 0 400.500 4.540 50 0 HJAARN CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccco1 ZINC000013684030 558568322 /nfs/dbraw/zinc/56/83/22/558568322.db2.gz STXDHCWMKIFOHO-UHFFFAOYSA-N 0 0 400.500 4.501 50 0 HJAARN COc1cccc(-c2nc(CC(=O)N[C@H](C)Cc3c[nH]c4ccccc34)cs2)c1 ZINC000013684535 558568673 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C[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000013733850 558587783 /nfs/dbraw/zinc/58/77/83/558587783.db2.gz UBCZQAZIBQXKFT-MRXNPFEDSA-N 0 0 407.514 4.554 50 0 HJAARN Cc1ccc(C2=Nn3c(COc4ccc(Cl)cc4Cl)nnc3SC2)cc1 ZINC000004452325 558588333 /nfs/dbraw/zinc/58/83/33/558588333.db2.gz SNFBFMXYENMOJW-UHFFFAOYSA-N 0 0 405.310 4.830 50 0 HJAARN Clc1cccc(Nc2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)c1 ZINC000024203680 558591950 /nfs/dbraw/zinc/59/19/50/558591950.db2.gz SWMBELKJVSSCNS-UHFFFAOYSA-N 0 0 414.962 4.799 50 0 HJAARN COc1ccc([C@@H]2C[C@H](c3ccccc3)N(C(=O)c3cccc(C)c3)c3ncnn32)cc1 ZINC000013838994 558596900 /nfs/dbraw/zinc/59/69/00/558596900.db2.gz JAOXREPSAXXEDK-RPWUZVMVSA-N 0 0 424.504 4.976 50 0 HJAARN CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000013847413 558597874 /nfs/dbraw/zinc/59/78/74/558597874.db2.gz GYVRFDHHGIRQOL-FQEVSTJZSA-N 0 0 410.514 4.554 50 0 HJAARN Cc1scc(-c2nnc(SCC(=O)NC3CCCC3)n2C)c1-c1ccccc1 ZINC000013878019 558599281 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OC1(c2ccc(Cl)cc2)CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000015074128 558715018 /nfs/dbraw/zinc/71/50/18/558715018.db2.gz WSMCSCCEVFIGNN-UHFFFAOYSA-N 0 0 404.297 4.527 50 0 HJAARN O=C(COc1ccc(Cl)c(Cl)c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000029778856 558720856 /nfs/dbraw/zinc/72/08/56/558720856.db2.gz BIZVYSKROBIGJV-KRWDZBQOSA-N 0 0 408.281 4.507 50 0 HJAARN O=C(Cc1csc(-c2ccco2)n1)Nc1ccc(N2CCc3sccc3C2)nc1 ZINC000029816706 558721738 /nfs/dbraw/zinc/72/17/38/558721738.db2.gz NQQOFCNCYQAREV-UHFFFAOYSA-N 0 0 422.535 4.604 50 0 HJAARN COc1ccc(NC(=O)c2sc3c(c2C)[C@@H](c2cccc(OC)c2)CC(=O)N3)cc1 ZINC000015107035 558723072 /nfs/dbraw/zinc/72/30/72/558723072.db2.gz HVONEKFKCGBZIL-GOSISDBHSA-N 0 0 422.506 4.800 50 0 HJAARN Cc1cc(C(=O)N[C@H](C)c2cccc(Br)c2)c(C)n1Cc1ccco1 ZINC000030466480 558730525 /nfs/dbraw/zinc/73/05/25/558730525.db2.gz ZDCPKPHTPFBHJP-CQSZACIVSA-N 0 0 401.304 5.000 50 0 HJAARN CCCCc1ccc(-c2csc(NC(=O)c3cnc4ccc(C)cn4c3=O)n2)cc1 ZINC000030576431 558733397 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HJAARN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011072911 558747462 /nfs/dbraw/zinc/74/74/62/558747462.db2.gz DAVLWRDFILZUFS-HOYKHHGWSA-N 0 0 415.537 4.628 50 0 HJAARN Cc1ccc(C23C[C@H]4C[C@H](CC(C(=O)CN5C(=O)c6ccccc6C5=O)(C4)C2)C3)cc1 ZINC000015724472 558750145 /nfs/dbraw/zinc/75/01/45/558750145.db2.gz HFZNBHHPWSMFOZ-WANOEJIPSA-N 0 0 413.517 4.698 50 0 HJAARN C[C@@H](NC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1)c1cccc(Cl)c1 ZINC000015766328 558751882 /nfs/dbraw/zinc/75/18/82/558751882.db2.gz DJQPTSIUEWORGK-OAHLLOKOSA-N 0 0 409.917 4.657 50 0 HJAARN O=C(Cc1cccc(F)c1)N[C@H](c1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000015778718 558752858 /nfs/dbraw/zinc/75/28/58/558752858.db2.gz XOGFYSXBWZKBMH-NRFANRHFSA-N 0 0 421.859 4.977 50 0 HJAARN Cc1ccccc1OCCSc1nc2ccccc2n1CC(=O)N1CCCCC1 ZINC000015833305 558755732 /nfs/dbraw/zinc/75/57/32/558755732.db2.gz CSLVAFKDOOBVBR-UHFFFAOYSA-N 0 0 409.555 4.528 50 0 HJAARN CC[C@@]1(C)Cc2ccccc2-c2nc3n(C)nc(SCc4ccccc4)n3c(=O)c21 ZINC000015839278 558756471 /nfs/dbraw/zinc/75/64/71/558756471.db2.gz OVKRVTSTSZMGCV-DEOSSOPVSA-N 0 0 416.550 4.611 50 0 HJAARN COc1ccc(Cc2nc3c4c(C)c(C)n(-c5ccc(C)c(C)c5)c4ncn3n2)cc1 ZINC000015842362 558756850 /nfs/dbraw/zinc/75/68/50/558756850.db2.gz COCCXICLWYRLMT-UHFFFAOYSA-N 0 0 411.509 4.901 50 0 HJAARN Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)N2CCCCC2)o1 ZINC000015860448 558758204 /nfs/dbraw/zinc/75/82/04/558758204.db2.gz VSTQCSRLMJGXMD-IBGZPJMESA-N 0 0 413.905 4.853 50 0 HJAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(CC)cc1)N(C(C)=O)c1ccccc1-2 ZINC000032997273 558758655 /nfs/dbraw/zinc/75/86/55/558758655.db2.gz UBOZPBABAKUHHL-NRFANRHFSA-N 0 0 406.511 4.657 50 0 HJAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(C)cc1C)N(C(C)=O)c1ccccc1-2 ZINC000032997269 558758722 /nfs/dbraw/zinc/75/87/22/558758722.db2.gz WAPKMDYTJBONAJ-NRFANRHFSA-N 0 0 406.511 4.712 50 0 HJAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCCCC[C@H]1c1sccc1C ZINC000015866836 558758840 /nfs/dbraw/zinc/75/88/40/558758840.db2.gz SIBOPRWBUDCYDA-SFHVURJKSA-N 0 0 406.573 4.629 50 0 HJAARN CSc1nnc2c(n1)O[C@H](c1cccc(Cl)c1)N(C(C)=O)c1ccc(C)cc1-2 ZINC000032997524 558758829 /nfs/dbraw/zinc/75/88/29/558758829.db2.gz GIPBRWRUIVAPRR-LJQANCHMSA-N 0 0 412.902 4.666 50 0 HJAARN CC(=O)N1c2c(C)cc(C)cc2-c2nnc(SCC(C)C)nc2O[C@@H]1c1ccco1 ZINC000032997744 558759042 /nfs/dbraw/zinc/75/90/42/558759042.db2.gz HONMBPPKWHNIHZ-OAQYLSRUSA-N 0 0 424.526 4.941 50 0 HJAARN COc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1NC(=O)c1ccccc1C ZINC000032998370 558759306 /nfs/dbraw/zinc/75/93/06/558759306.db2.gz RYLOUKQSNLKBGG-UHFFFAOYSA-N 0 0 424.884 4.927 50 0 HJAARN CCc1cccc(NC(=O)c2ccc(-n3nnnc3SCc3ccccc3)cc2)c1 ZINC000015869234 558759918 /nfs/dbraw/zinc/75/99/18/558759918.db2.gz XWJBCGGYECATOO-UHFFFAOYSA-N 0 0 415.522 4.769 50 0 HJAARN Cc1cccc(NC(=O)c2ccc(-n3nnnc3SCc3ccccc3)cc2)c1C ZINC000015869212 558759945 /nfs/dbraw/zinc/75/99/45/558759945.db2.gz HZWYVZSQZCYQTA-UHFFFAOYSA-N 0 0 415.522 4.824 50 0 HJAARN Cc1ccc(CN2C[C@H](C(=O)Nc3ccccc3Oc3ccccc3)CC2=O)cc1 ZINC000015963612 558764375 /nfs/dbraw/zinc/76/43/75/558764375.db2.gz SEDPEKVMMLSRQJ-HXUWFJFHSA-N 0 0 400.478 4.775 50 0 HJAARN CC[C@@H](C(=O)Nc1cccc(Cl)c1C)n1ncc(-c2ccc(Cl)cc2)nc1=O ZINC000033324686 558766849 /nfs/dbraw/zinc/76/68/49/558766849.db2.gz AFEWHWGHBBYCNE-SFHVURJKSA-N 0 0 417.296 4.510 50 0 HJAARN Cc1ccc(N2C(=O)C[C@@H](C(=O)Nc3ccc4c(c3)OCO4)[C@@H]2c2cccs2)cc1 ZINC000016018610 558767357 /nfs/dbraw/zinc/76/73/57/558767357.db2.gz YYAHCFSZCUMPQE-VGOFRKELSA-N 0 0 420.490 4.518 50 0 HJAARN C[C@H]1Cc2ccccc2N1C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000016022739 558768381 /nfs/dbraw/zinc/76/83/81/558768381.db2.gz BNPTUKMDXYZAAZ-ZDUSSCGKSA-N 0 0 423.866 4.948 50 0 HJAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000016035667 558769697 /nfs/dbraw/zinc/76/96/97/558769697.db2.gz QGNZJLRHTCKAPD-XYPHTWIQSA-N 0 0 402.409 4.746 50 0 HJAARN O=C(CN(Cc1ccccc1)c1nccs1)Nc1ccc(Br)cc1F ZINC000072308675 558770268 /nfs/dbraw/zinc/77/02/68/558770268.db2.gz NOSCHWLZUHLYCX-UHFFFAOYSA-N 0 0 420.307 4.690 50 0 HJAARN CC(=O)c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000016099673 558771605 /nfs/dbraw/zinc/77/16/05/558771605.db2.gz WDRCRMMTGGIPMD-UHFFFAOYSA-N 0 0 411.323 4.728 50 0 HJAARN Cc1ccc2nc(N3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)sc2c1 ZINC000004583399 558773155 /nfs/dbraw/zinc/77/31/55/558773155.db2.gz AVURZHFXUZWPMD-UHFFFAOYSA-N 0 0 405.445 4.586 50 0 HJAARN CCc1ccccc1NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000016162477 558775005 /nfs/dbraw/zinc/77/50/05/558775005.db2.gz UHMVIYIUTUWYRT-UHFFFAOYSA-N 0 0 422.550 4.700 50 0 HJAARN COc1ccc(-c2ccc(/C=C3/N=C(/C=C/c4ccccc4)OC3=O)o2)c([N+](=O)[O-])c1 ZINC000001209635 558776023 /nfs/dbraw/zinc/77/60/23/558776023.db2.gz UPRMRDMGJTTWML-CLHQEALVSA-N 0 0 416.389 4.873 50 0 HJAARN O=C(N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1)c1csc(-c2ccsc2)n1 ZINC000072309915 558778637 /nfs/dbraw/zinc/77/86/37/558778637.db2.gz NMADBFLAIQNERE-RTBURBONSA-N 0 0 406.536 4.727 50 0 HJAARN CC[C@H]1CCc2c(sc(NC(=O)/C=C/c3c(F)cccc3Cl)c2C(N)=O)C1 ZINC000016225771 558779529 /nfs/dbraw/zinc/77/95/29/558779529.db2.gz OKJIFCJWXGIRTI-FBOQAHMBSA-N 0 0 406.910 4.806 50 0 HJAARN CCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1 ZINC000004585882 558781374 /nfs/dbraw/zinc/78/13/74/558781374.db2.gz VUIBTFRJEUXYLJ-UHFFFAOYSA-N 0 0 412.945 4.571 50 0 HJAARN O=C(NCCc1ccccc1)c1c(NC(=O)c2ccccc2F)sc2c1CCC2 ZINC000005042268 558781360 /nfs/dbraw/zinc/78/13/60/558781360.db2.gz JUSZEHJFNVMRKK-UHFFFAOYSA-N 0 0 408.498 4.601 50 0 HJAARN COc1cccc(C(=O)Nc2c(CC(C)C)[nH]nc2-c2ccc(OC)cc2OC)c1 ZINC000034796077 558783875 /nfs/dbraw/zinc/78/38/75/558783875.db2.gz JORUHVQCLZANFH-UHFFFAOYSA-N 0 0 409.486 4.553 50 0 HJAARN CCN(C[C@@H]1CCN(C(=O)CCSc2ccc(C)c(C)c2)C1)CC(F)(F)F ZINC000072311405 558783972 /nfs/dbraw/zinc/78/39/72/558783972.db2.gz MOAUOWRFLVVQNK-KRWDZBQOSA-N 0 0 402.526 4.518 50 0 HJAARN CCOc1ccccc1NC(=O)N(Cc1cc(-c2ccccc2OC)on1)C1CC1 ZINC000034922415 558787817 /nfs/dbraw/zinc/78/78/17/558787817.db2.gz UQJUCSXBRCAPKD-UHFFFAOYSA-N 0 0 407.470 4.945 50 0 HJAARN Cc1ccc(C(=O)NC[C@H](C)Nc2ccccc2)cc1NC(=O)c1ccccc1F ZINC000072311614 558788499 /nfs/dbraw/zinc/78/84/99/558788499.db2.gz YYWKBQINZCRHJP-KRWDZBQOSA-N 0 0 405.473 4.617 50 0 HJAARN CCCN1c2ccccc2/C(=C/c2nc3ccccc3c(=O)n2-c2ccccc2C)C1=O ZINC000004590137 558792393 /nfs/dbraw/zinc/79/23/93/558792393.db2.gz PPTGDTFQVVALMR-FXBPSFAMSA-N 0 0 421.500 4.991 50 0 HJAARN Cc1ccc(N2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NC2CCCC2)c(C)c1 ZINC000035482088 558792709 /nfs/dbraw/zinc/79/27/09/558792709.db2.gz GOSHOSXNRYEQER-XMMPIXPASA-N 0 0 421.566 4.798 50 0 HJAARN CCOC(=O)C1CCC(CNC(=O)N2CCCCC[C@@H]2c2cccc(C)c2)CC1 ZINC000035561801 558793667 /nfs/dbraw/zinc/79/36/67/558793667.db2.gz BCQBFLLMKZXZAC-QETWGEEDSA-N 0 0 400.563 4.991 50 0 HJAARN COc1cccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccccc3F)c2)c1 ZINC000035927238 558795952 /nfs/dbraw/zinc/79/59/52/558795952.db2.gz NFSDJQVEUMYJAY-HSZRJFAPSA-N 0 0 422.481 4.865 50 0 HJAARN Clc1ccc(-c2cs/c(=N\c3ccccc3)n2CCCN2CCOCC2)cc1 ZINC000016711403 558801652 /nfs/dbraw/zinc/80/16/52/558801652.db2.gz GYNFQLMJKUOZCO-GYHWCHFESA-N 0 0 413.974 4.825 50 0 HJAARN CC(C)CCNC(=O)[C@]1(C)CCc2ccccc2C(=O)N1CCCc1ccccc1 ZINC000032977922 558803595 /nfs/dbraw/zinc/80/35/95/558803595.db2.gz ZWXMUCBPWDCMQL-SANMLTNESA-N 0 0 406.570 4.629 50 0 HJAARN CCCCC1CCC(C(=O)N(Cc2ccc(CC)cc2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000016741752 558803769 /nfs/dbraw/zinc/80/37/69/558803769.db2.gz LVTGEOAXZUBMMW-IQWMQGJTSA-N 0 0 419.631 4.761 50 0 HJAARN C[C@H]1CN(c2cc(Oc3ccccc3Cl)ncn2)CCN1C(=O)C1CCCCC1 ZINC000037355792 558804136 /nfs/dbraw/zinc/80/41/36/558804136.db2.gz KZUGRBAIRGJEHR-INIZCTEOSA-N 0 0 414.937 4.540 50 0 HJAARN COc1ccccc1CN1CCN(c2cc(Oc3ccc(Cl)cc3)ncn2)C[C@@H]1C ZINC000037357089 558804330 /nfs/dbraw/zinc/80/43/30/558804330.db2.gz XHJJDCRROARHHC-KRWDZBQOSA-N 0 0 424.932 4.642 50 0 HJAARN Cc1ccccc1Oc1cc(N2CCN(C(=O)c3ccc(Cl)cc3)[C@@H](C)C2)ncn1 ZINC000037623731 558806053 /nfs/dbraw/zinc/80/60/53/558806053.db2.gz BSODOBAKFFHCLF-KRWDZBQOSA-N 0 0 422.916 4.582 50 0 HJAARN Cc1ccccc1CN1[C@H](c2ccc(F)c(F)c2)Nc2ccccc2S1(=O)=O ZINC000032986802 558806778 /nfs/dbraw/zinc/80/67/78/558806778.db2.gz RPGYTOBQJXUKPF-OAQYLSRUSA-N 0 0 400.450 4.588 50 0 HJAARN O=S1(=O)c2ccccc2N[C@@H](c2ccc(F)cc2)N1CCc1ccc(Cl)cc1 ZINC000032986955 558806894 /nfs/dbraw/zinc/80/68/94/558806894.db2.gz LFKSAINJLOLRDY-OAQYLSRUSA-N 0 0 416.905 4.837 50 0 HJAARN Cc1ccc(-n2cc(C3=CCN(CC(=O)Nc4cc(C)cc(C)c4)CC3)cn2)cc1 ZINC000032995889 558810438 /nfs/dbraw/zinc/81/04/38/558810438.db2.gz BRETZYMDESMTQL-UHFFFAOYSA-N 0 0 400.526 4.525 50 0 HJAARN Cc1nn(-c2ccccc2)nc1C(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000032996026 558810698 /nfs/dbraw/zinc/81/06/98/558810698.db2.gz TYOULMFBPWFYAL-QFIPXVFZSA-N 0 0 421.504 4.619 50 0 HJAARN Cc1ccc(SCc2cc(=O)[nH]c(Nc3nc(C)c4cc(C)cc(C)c4n3)n2)cc1 ZINC000017027492 558812249 /nfs/dbraw/zinc/81/22/49/558812249.db2.gz UXNREVPZMWJVDZ-UHFFFAOYSA-N 0 0 417.538 4.983 50 0 HJAARN CSc1cccc(NC(=O)Cn2cnc3c(-c4ccc(C)cc4)csc3c2=O)c1 ZINC000038651745 558813295 /nfs/dbraw/zinc/81/32/95/558813295.db2.gz SIMLMDYAVIAQIO-UHFFFAOYSA-N 0 0 421.547 4.794 50 0 HJAARN Cc1ccc(-c2csc3c2ncn(CC(=O)Nc2ccc(C)cc2C)c3=O)cc1 ZINC000038651712 558813317 /nfs/dbraw/zinc/81/33/17/558813317.db2.gz CGKKITGHRWLGOI-UHFFFAOYSA-N 0 0 403.507 4.689 50 0 HJAARN COc1c(C)cccc1C(=O)Nc1ccc2nn(-c3ccc(C)c(Cl)c3)nc2c1 ZINC000017087542 558816482 /nfs/dbraw/zinc/81/64/82/558816482.db2.gz LGUVOXKYDXASSK-UHFFFAOYSA-N 0 0 406.873 4.952 50 0 HJAARN COc1ccc(OC)c(Nc2nc3c(cnn3C)c(Nc3ccc(Cl)cc3)n2)c1 ZINC000017148988 558824276 /nfs/dbraw/zinc/82/42/76/558824276.db2.gz WWKYIEFMKLHUKK-UHFFFAOYSA-N 0 0 410.865 4.521 50 0 HJAARN COc1ccc(-c2csc(NC(=O)c3ccccc3OC)n2)cc1Br ZINC000017181039 558825160 /nfs/dbraw/zinc/82/51/60/558825160.db2.gz XKCQPGRZPIFGED-UHFFFAOYSA-N 0 0 419.300 4.842 50 0 HJAARN COc1ccc(-c2noc(CCCC(=O)Nc3ccc(C(C)C)cc3)n2)cc1OC ZINC000033000106 558826678 /nfs/dbraw/zinc/82/66/78/558826678.db2.gz HJXIPCNTQFHTLI-UHFFFAOYSA-N 0 0 409.486 4.839 50 0 HJAARN COc1cc(NC(=O)Nc2cccc(SC)c2)cc2sc(NC(C)=O)nc21 ZINC000033008580 558828244 /nfs/dbraw/zinc/82/82/44/558828244.db2.gz DKUILLQYCFSLEK-UHFFFAOYSA-N 0 0 402.501 4.629 50 0 HJAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccccc3OCC(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 ZINC000017987285 558829078 /nfs/dbraw/zinc/82/90/78/558829078.db2.gz BLEMRCDJRLGILC-FHLIZLRMSA-N 0 0 411.885 4.527 50 0 HJAARN Cc1cccc(C)c1NC(=O)[C@@H](NC(=O)c1ccccc1O)c1ccc(Cl)cc1 ZINC000004592614 558830500 /nfs/dbraw/zinc/83/05/00/558830500.db2.gz IKUKKMPLIJUADU-NRFANRHFSA-N 0 0 408.885 4.772 50 0 HJAARN COc1cccc(NC(=O)COc2cccc(-c3nc(-c4ccc(C)cc4)no3)c2)c1 ZINC000033012352 558832131 /nfs/dbraw/zinc/83/21/31/558832131.db2.gz YXSZAOMDBZPDBY-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN COc1ccc(-c2noc(COc3ccccc3C(=O)Nc3ccc(F)cc3)n2)cc1 ZINC000033012963 558832730 /nfs/dbraw/zinc/83/27/30/558832730.db2.gz XJXQNDNLFKXGDR-UHFFFAOYSA-N 0 0 419.412 4.716 50 0 HJAARN Cc1cc(Oc2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)ccc1Cl ZINC000033014493 558834009 /nfs/dbraw/zinc/83/40/09/558834009.db2.gz JRTZPUQTNQNGDB-UHFFFAOYSA-N 0 0 415.946 4.766 50 0 HJAARN Cc1ccc(-c2csc3ncn(C[C@@H](O)c4c(F)cccc4F)c(=O)c23)cc1C ZINC000071949390 558835328 /nfs/dbraw/zinc/83/53/28/558835328.db2.gz FGLAXLNOGDCOIO-GOSISDBHSA-N 0 0 412.461 4.754 50 0 HJAARN O=C1/C(=C/c2cc(Br)ccc2F)SC(=S)N1Cc1ccccc1 ZINC000001151515 558836647 /nfs/dbraw/zinc/83/66/47/558836647.db2.gz VUHPJHSONOIOKK-DHDCSXOGSA-N 0 0 408.317 4.990 50 0 HJAARN CC(C)C(=O)Nc1nc2cc(NC(=O)c3ccc(Br)cc3)ccc2s1 ZINC000033020306 558836652 /nfs/dbraw/zinc/83/66/52/558836652.db2.gz NJHXJCPYGPXKNU-UHFFFAOYSA-N 0 0 418.316 4.906 50 0 HJAARN COc1cc(OC)cc(-c2noc(CSc3ccc(-c4ccc(F)cc4)nn3)n2)c1 ZINC000033022061 558837241 /nfs/dbraw/zinc/83/72/41/558837241.db2.gz BGFSYRXUPWFNBG-UHFFFAOYSA-N 0 0 424.457 4.642 50 0 HJAARN CCN([C@@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000072313055 558838209 /nfs/dbraw/zinc/83/82/09/558838209.db2.gz LLEBHCSZOKNOGP-FQEVSTJZSA-N 0 0 415.946 4.547 50 0 HJAARN Cn1c2cc(NC(=O)Nc3ccccc3Cl)c(Oc3ccccc3)cc2n(C)c1=O ZINC000046009375 558838884 /nfs/dbraw/zinc/83/88/84/558838884.db2.gz KLMVZOLMIKNNKX-UHFFFAOYSA-N 0 0 422.872 4.967 50 0 HJAARN CCc1ccc(NC(=O)Cc2c(C)nc3nc(-c4ccc(Cl)cc4)nn3c2C)cc1 ZINC000046023782 558839086 /nfs/dbraw/zinc/83/90/86/558839086.db2.gz XLIAOJIYTRTKAW-UHFFFAOYSA-N 0 0 419.916 4.805 50 0 HJAARN Cc1ccccc1NC(=O)Cc1c(C)nc2nc(-c3ccc(Cl)cc3)nn2c1C ZINC000046023797 558839236 /nfs/dbraw/zinc/83/92/36/558839236.db2.gz SSNXFAHGUDGCCY-UHFFFAOYSA-N 0 0 405.889 4.551 50 0 HJAARN CCCCOC(=O)c1nc2ccccc2nc1N1CCN(c2cccc(C)c2C)CC1 ZINC000046141159 558839866 /nfs/dbraw/zinc/83/98/66/558839866.db2.gz OCYYJPQDSDUQMI-UHFFFAOYSA-N 0 0 418.541 4.530 50 0 HJAARN O=C(Oc1ccc(Cl)cc1C(=S)N1CCOCC1)c1ccc2ccccc2c1 ZINC000004600535 558840268 /nfs/dbraw/zinc/84/02/68/558840268.db2.gz WTHLGPNGCVFKLZ-UHFFFAOYSA-N 0 0 411.910 4.720 50 0 HJAARN COCCOc1ccc(NC(=O)N2CC(Cc3ccccc3Cl)C2)cc1Cl ZINC000072314314 558844811 /nfs/dbraw/zinc/84/48/11/558844811.db2.gz KQCLNITVPCQZLQ-UHFFFAOYSA-N 0 0 409.313 4.725 50 0 HJAARN Cc1ccc(-c2nnc(SCC(=O)Nc3cccnc3)n2-c2ccccc2)cc1C ZINC000033025614 558846449 /nfs/dbraw/zinc/84/64/49/558846449.db2.gz YVUXJCMNQOJGEQ-UHFFFAOYSA-N 0 0 415.522 4.677 50 0 HJAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)cc1 ZINC000033025721 558846540 /nfs/dbraw/zinc/84/65/40/558846540.db2.gz RAVHLIBMTYARHN-UHFFFAOYSA-N 0 0 405.479 4.594 50 0 HJAARN COc1ccccc1C1(CNC(=O)c2cnn(C(C)C)c2C(F)(F)F)CCCC1 ZINC000060337264 558851857 /nfs/dbraw/zinc/85/18/57/558851857.db2.gz YJBBDARKQQSVKF-UHFFFAOYSA-N 0 0 409.452 4.733 50 0 HJAARN C[C@H](OC(=O)c1c(F)cccc1F)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000011127222 558854547 /nfs/dbraw/zinc/85/45/47/558854547.db2.gz DXUOGQPWZTVLHA-QMMMGPOBSA-N 0 0 407.722 4.821 50 0 HJAARN COc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)NC4CCCCC4)c3)C2)cc1 ZINC000033034753 558858799 /nfs/dbraw/zinc/85/87/99/558858799.db2.gz MXKNSONGGJEUTQ-QFIPXVFZSA-N 0 0 420.553 4.778 50 0 HJAARN COc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)c4ccncc4)ccc3c2C)c1 ZINC000013723201 558859238 /nfs/dbraw/zinc/85/92/38/558859238.db2.gz PSTDKJSHCXUBCD-UHFFFAOYSA-N 0 0 416.433 4.637 50 0 HJAARN O=c1c(Oc2ccccc2Br)coc2c1ccc1c2CN(C2CC2)CO1 ZINC000013723380 558860273 /nfs/dbraw/zinc/86/02/73/558860273.db2.gz NKJXLJDLEBPEAA-UHFFFAOYSA-N 0 0 414.255 4.662 50 0 HJAARN CC[C@@H](C)NC(=O)c1ccc(-n2nc(C)c(-c3ccc(C)cc3)c2NC(C)=O)cc1 ZINC000033037153 558861665 /nfs/dbraw/zinc/86/16/65/558861665.db2.gz RKOZHJLHFQOYBE-MRXNPFEDSA-N 0 0 404.514 4.643 50 0 HJAARN CC(=O)Nc1c(-c2ccc(F)cc2)c(C)nn1-c1ccc(C(=O)NC2CCCC2)cc1 ZINC000033037289 558861933 /nfs/dbraw/zinc/86/19/33/558861933.db2.gz HHBZNONAAPAXBF-UHFFFAOYSA-N 0 0 420.488 4.618 50 0 HJAARN CCOc1ccc(-c2n[nH]cc2C(=O)NCc2ccc(F)c(Cl)c2)cc1Cl ZINC000072329332 558864675 /nfs/dbraw/zinc/86/46/75/558864675.db2.gz OETHCKBCJCCGRF-UHFFFAOYSA-N 0 0 408.260 4.851 50 0 HJAARN CCOc1ccc(-c2cc3c(=O)n(Cc4cc(F)ccc4F)ccn3n2)cc1Cl ZINC000072329624 558865094 /nfs/dbraw/zinc/86/50/94/558865094.db2.gz OINOWWRFSVDFGY-UHFFFAOYSA-N 0 0 415.827 4.542 50 0 HJAARN CCCCc1ccc(NC(=O)COC(=O)Cc2ccc(OCC)c(OCC)c2)cc1 ZINC000072330959 558865988 /nfs/dbraw/zinc/86/59/88/558865988.db2.gz MKQINEJMXDJIEL-UHFFFAOYSA-N 0 0 413.514 4.551 50 0 HJAARN CCCC12CN3CC(C)(CN(C1)C3c1cn(Cc3ccccc3)c3ccccc13)C2=O ZINC000019322775 558867575 /nfs/dbraw/zinc/86/75/75/558867575.db2.gz WSUXWWCNWWZCRN-UHFFFAOYSA-N 0 0 413.565 4.695 50 0 biogenic HJAARN CCOc1ccc(C(=O)Nc2ccc(Nc3nc(C)cc(N4CCCC4)n3)cc2)cc1 ZINC000033078135 558867551 /nfs/dbraw/zinc/86/75/51/558867551.db2.gz VKWBBKQHLFURIX-UHFFFAOYSA-N 0 0 417.513 4.780 50 0 HJAARN CCOc1ccc(NC(=O)[C@@H]2CCCN(c3ncnc4sc(CC)cc43)C2)cc1 ZINC000033078303 558867682 /nfs/dbraw/zinc/86/76/82/558867682.db2.gz WIWKBXIPVNOGKN-OAHLLOKOSA-N 0 0 410.543 4.508 50 0 HJAARN Cc1c(C(=O)N[C@H](C)Cc2ccco2)sc2ncnc(N(C)C3CCCCC3)c12 ZINC000033078888 558868331 /nfs/dbraw/zinc/86/83/31/558868331.db2.gz GPKVODHQBPWNSN-CQSZACIVSA-N 0 0 412.559 4.723 50 0 HJAARN Cc1c(C(=O)NC[C@H](C)c2ccccc2)sc2nc(C)nc(N3CCCCC3)c12 ZINC000033084378 558869453 /nfs/dbraw/zinc/86/94/53/558869453.db2.gz LMWUVHVJQIHWEK-HNNXBMFYSA-N 0 0 408.571 4.832 50 0 HJAARN Cc1c(C(=O)NCc2ccc(Cl)cc2)sc2nc(C)nc(N3CCCCC3)c12 ZINC000033084339 558869521 /nfs/dbraw/zinc/86/95/21/558869521.db2.gz HQWOKZUYQSXDGJ-UHFFFAOYSA-N 0 0 414.962 4.882 50 0 HJAARN Cc1cc(Cl)ccc1NC(=O)c1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000033088443 558870254 /nfs/dbraw/zinc/87/02/54/558870254.db2.gz NTDASNQWLYXYDX-UHFFFAOYSA-N 0 0 421.766 4.617 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)c1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 ZINC000033088476 558870372 /nfs/dbraw/zinc/87/03/72/558870372.db2.gz ZDLRWTOYKPKLJW-UHFFFAOYSA-N 0 0 421.766 4.617 50 0 HJAARN COc1ccc(-n2cc(CN[C@H](C)c3ccncn3)c(-c3ccccc3Cl)n2)cc1 ZINC000055061042 558871322 /nfs/dbraw/zinc/87/13/22/558871322.db2.gz NKUFAQWKZFXOJD-MRXNPFEDSA-N 0 0 419.916 4.842 50 0 HJAARN CCc1cccc(CC)c1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C ZINC000033088692 558871734 /nfs/dbraw/zinc/87/17/34/558871734.db2.gz SFJUBRDLWVHPOK-UHFFFAOYSA-N 0 0 420.534 4.869 50 0 HJAARN Cc1ccc(C(=O)C[C@]2(O)c3cc(Cl)ccc3N(CCc3ccccc3)C2=O)cc1 ZINC000004662655 558874923 /nfs/dbraw/zinc/87/49/23/558874923.db2.gz BTRXSUBINBEVPR-VWLOTQADSA-N 0 0 419.908 4.698 50 0 HJAARN Cc1ccccc1NC(=O)N1CCC[C@@H](c2nnc(C(=O)Nc3ccccc3)s2)C1 ZINC000033113497 558875445 /nfs/dbraw/zinc/87/54/45/558875445.db2.gz KDDKHLOTCZSYKS-MRXNPFEDSA-N 0 0 421.526 4.510 50 0 HJAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2ccc(F)c(Cl)c2)c1 ZINC000019352589 558875571 /nfs/dbraw/zinc/87/55/71/558875571.db2.gz SGBOEMZGOVLYRJ-SFHVURJKSA-N 0 0 409.910 4.952 50 0 HJAARN Cc1cc2nc(C)c(CCC(=O)OCc3csc(-c4ccsc4)n3)c(C)n2n1 ZINC000019357652 558875900 /nfs/dbraw/zinc/87/59/00/558875900.db2.gz IJUGVFCZVZOQKI-UHFFFAOYSA-N 0 0 412.540 4.516 50 0 HJAARN CCOC(=O)Nc1ccc2c(c1)Sc1ccccc1N2CCCN1CCOCC1 ZINC000055211490 558876002 /nfs/dbraw/zinc/87/60/02/558876002.db2.gz XIVOUFWKNIRIEY-UHFFFAOYSA-N 0 0 413.543 4.580 50 0 HJAARN Cc1ccc(NC(=O)CSc2nc(N3CCCCC3)nc3ccccc32)cc1F ZINC000033114726 558876447 /nfs/dbraw/zinc/87/64/47/558876447.db2.gz PWHPYMCYSQXKSA-UHFFFAOYSA-N 0 0 410.518 4.798 50 0 HJAARN CSc1nnc(CN(C)Cc2cccc(-c3ccccc3C)c2)n1C[C@H]1CCCO1 ZINC000055226833 558876838 /nfs/dbraw/zinc/87/68/38/558876838.db2.gz IBSNBQIFSCGNTG-OAQYLSRUSA-N 0 0 422.598 4.786 50 0 HJAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000033121880 558878858 /nfs/dbraw/zinc/87/88/58/558878858.db2.gz DFCRHIXZRQDQAW-UHFFFAOYSA-N 0 0 403.511 4.707 50 0 HJAARN CCOc1c2cc(NC(=O)CCc3ccc(OC)cc3)ccc2sc1C(=O)OC ZINC000033123394 558879620 /nfs/dbraw/zinc/87/96/20/558879620.db2.gz OFJTZJRGCXQHKV-UHFFFAOYSA-N 0 0 413.495 4.667 50 0 HJAARN Cc1ccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCc3ccccc32)cc1C ZINC000033127946 558881387 /nfs/dbraw/zinc/88/13/87/558881387.db2.gz ZFUGTYSSXFDWKV-HSZRJFAPSA-N 0 0 413.521 4.626 50 0 HJAARN O=C(Nc1cccc(CCc2nc3ccccc3[nH]2)c1)Nc1ccc2c(c1)OCCO2 ZINC000033126377 558883967 /nfs/dbraw/zinc/88/39/67/558883967.db2.gz WVGIXVHIYIACFD-UHFFFAOYSA-N 0 0 414.465 4.763 50 0 HJAARN Cc1ccc(NC(=O)c2cccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)c2)cc1 ZINC000033129962 558885852 /nfs/dbraw/zinc/88/58/52/558885852.db2.gz GJACYTREXKPQHX-UHFFFAOYSA-N 0 0 420.534 4.699 50 0 HJAARN CC(C)CCNC(=O)CSc1nccn2nc(-c3cccc4ccccc43)cc12 ZINC000057511098 558889049 /nfs/dbraw/zinc/88/90/49/558889049.db2.gz WFEOFSNRKBBEFJ-UHFFFAOYSA-N 0 0 404.539 4.804 50 0 HJAARN Cc1ccc([C@H]2C[C@H](c3cc(Cl)ccc3C(=O)C(F)F)n3ncnc3N2)cc1 ZINC000072333468 558891888 /nfs/dbraw/zinc/89/18/88/558891888.db2.gz ARQBPDXEKBWBDI-IAGOWNOFSA-N 0 0 402.832 4.834 50 0 HJAARN Cc1ccc(-c2cc(C(=O)N[C@H](c3nccn3C)c3ccc(Cl)cc3)on2)cc1 ZINC000033161235 558895999 /nfs/dbraw/zinc/89/59/99/558895999.db2.gz LEAHUYQWTDCFDL-FQEVSTJZSA-N 0 0 406.873 4.556 50 0 HJAARN O=C(Cc1csc(-c2ncccn2)n1)Nc1cccc(C2SCCCS2)c1 ZINC000058064295 558897615 /nfs/dbraw/zinc/89/76/15/558897615.db2.gz VXLXUENPKSVDEJ-UHFFFAOYSA-N 0 0 414.581 4.650 50 0 HJAARN CCOCCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1Cl)S2 ZINC000004687480 558897943 /nfs/dbraw/zinc/89/79/43/558897943.db2.gz BJQRUGZDMYXSRM-CPNJWEJPSA-N 0 0 416.930 4.582 50 0 HJAARN CCN(Cc1cccc(NC(=O)[C@H](C)SCc2ccccc2)c1)C(=O)C(F)(F)F ZINC000058099681 558898887 /nfs/dbraw/zinc/89/88/87/558898887.db2.gz DMWXMHBZPPQPLJ-HNNXBMFYSA-N 0 0 424.488 4.858 50 0 HJAARN Cc1cccc(/C=C2/Oc3ccccc3N(CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)C2=O)c1 ZINC000004688807 558898953 /nfs/dbraw/zinc/89/89/53/558898953.db2.gz BVLIAGSYENUHLE-WBSRPDNFSA-N 0 0 418.537 4.702 50 0 HJAARN CCN(c1ccc(OC)cc1)S(=O)(=O)c1cc(-c2nc(C)cs2)sc1C ZINC000033169460 558902772 /nfs/dbraw/zinc/90/27/72/558902772.db2.gz XTMFFNLHPCTGJP-UHFFFAOYSA-N 0 0 408.570 4.712 50 0 HJAARN Cc1cccc(C)c1NC(=O)CN(C)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000058161411 558905496 /nfs/dbraw/zinc/90/54/96/558905496.db2.gz WZDQAAAMTKNMEJ-DEOSSOPVSA-N 0 0 419.500 4.693 50 0 HJAARN COc1ccccc1OCCOc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1OC ZINC000004698998 558906982 /nfs/dbraw/zinc/90/69/82/558906982.db2.gz JYDGFVLJSGLXLF-XDJHFCHBSA-N 0 0 417.461 4.654 50 0 HJAARN C[C@H](NC(=O)c1ccnc(Oc2ccccc2)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000058179495 558909823 /nfs/dbraw/zinc/90/98/23/558909823.db2.gz NBBNGIIZIMBHLY-INIZCTEOSA-N 0 0 401.466 4.713 50 0 HJAARN O=C1CN(C(=S)NCc2ccccc2)[C@@H](c2ccccc2)c2cc(Cl)ccc2N1 ZINC000058196694 558910962 /nfs/dbraw/zinc/91/09/62/558910962.db2.gz HMEMKOUCCFKESH-QFIPXVFZSA-N 0 0 421.953 4.758 50 0 HJAARN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N(C(=O)NC1CCCCC1)C1CCCCC1 ZINC000071770759 558911312 /nfs/dbraw/zinc/91/13/12/558911312.db2.gz VPVOAXHHFCOOQO-LJQANCHMSA-N 0 0 421.582 4.590 50 0 HJAARN COc1ccccc1N1CCN(CCC(=O)c2ccc3oc4ccccc4c3c2)CC1 ZINC000071784990 558911818 /nfs/dbraw/zinc/91/18/18/558911818.db2.gz CDZUHAREOQMHRR-UHFFFAOYSA-N 0 0 414.505 4.990 50 0 HJAARN COc1ccc(NC(=O)CCC(=O)N(c2ccccc2)c2ccccc2)c(OC)c1 ZINC000004700532 558912088 /nfs/dbraw/zinc/91/20/88/558912088.db2.gz PPIDYNDKIPJQIR-UHFFFAOYSA-N 0 0 404.466 4.787 50 0 HJAARN COc1c(Cl)cc(C(=O)Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)cc1Cl ZINC000058218303 558912721 /nfs/dbraw/zinc/91/27/21/558912721.db2.gz SUXLHTNAFHQZRP-UHFFFAOYSA-N 0 0 403.269 4.917 50 0 HJAARN COc1cc(CN(C)C(=O)[C@H](C)Oc2ccc(Br)cc2)ccc1SC ZINC000058218017 558912792 /nfs/dbraw/zinc/91/27/92/558912792.db2.gz PSWUZGHCFNQJEJ-ZDUSSCGKSA-N 0 0 424.360 4.606 50 0 HJAARN CCCCCc1nnc(NC(=O)C(C)(C)Oc2ccc3c(c2)CCCC3=O)s1 ZINC000058230740 558913949 /nfs/dbraw/zinc/91/39/49/558913949.db2.gz GUFDEFONPKRJJI-UHFFFAOYSA-N 0 0 401.532 4.586 50 0 HJAARN C[C@@H]1CCC[C@H](NC(=O)Cn2c3c(c(-c4ccccc4Cl)cc2=O)CCC3)[C@@H]1C ZINC000004714855 558914548 /nfs/dbraw/zinc/91/45/48/558914548.db2.gz SIMKEPSYRYNTBW-ZOCZFRKYSA-N 0 0 412.961 4.598 50 0 HJAARN COc1cccc(CN(C)[C@H](C)C(=O)Nc2cccc(CSc3ccccn3)c2)c1 ZINC000058279475 558916203 /nfs/dbraw/zinc/91/62/03/558916203.db2.gz DOAKTEUGRXTKCL-GOSISDBHSA-N 0 0 421.566 4.842 50 0 HJAARN Cc1ncc(CN(C)C(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)s1 ZINC000058281414 558916459 /nfs/dbraw/zinc/91/64/59/558916459.db2.gz BBJMBJBZAXBLEJ-UHFFFAOYSA-N 0 0 404.511 4.773 50 0 HJAARN O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000058297589 558917385 /nfs/dbraw/zinc/91/73/85/558917385.db2.gz MYZCAWKLSUJJHP-GOSISDBHSA-N 0 0 405.420 4.581 50 0 HJAARN O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000058297975 558917566 /nfs/dbraw/zinc/91/75/66/558917566.db2.gz JIXXECAYDBIUIV-INIZCTEOSA-N 0 0 420.900 4.820 50 0 HJAARN CCc1ccc([C@@H](NC(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)C(C)C)cc1 ZINC000058341190 558920349 /nfs/dbraw/zinc/92/03/49/558920349.db2.gz KWKRGQHVONPTAD-HKUYNNGSSA-N 0 0 414.493 4.667 50 0 HJAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCN(C(=O)C2CCCCC2)CC1 ZINC000033252197 558920483 /nfs/dbraw/zinc/92/04/83/558920483.db2.gz OILMWXULDFXWMI-UHFFFAOYSA-N 0 0 401.938 4.528 50 0 HJAARN CNC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccc(Cl)cc2)cc1 ZINC000033252317 558920612 /nfs/dbraw/zinc/92/06/12/558920612.db2.gz MLWQVIIYYOMJSB-UHFFFAOYSA-N 0 0 422.941 4.785 50 0 HJAARN COc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccccc3)no2)c(OC)c1 ZINC000033252352 558920688 /nfs/dbraw/zinc/92/06/88/558920688.db2.gz BESGZZMIJKKEAH-UHFFFAOYSA-N 0 0 401.422 4.673 50 0 HJAARN Cc1ccccc1OCCN(C)C(=O)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000058365324 558922271 /nfs/dbraw/zinc/92/22/71/558922271.db2.gz DQLBXVJHQNBQHQ-UHFFFAOYSA-N 0 0 405.267 4.529 50 0 HJAARN COc1cc(C(=O)N(C)[C@@H](c2cccc(F)c2)c2ccccn2)cc(Cl)c1OC ZINC000058367137 558922282 /nfs/dbraw/zinc/92/22/82/558922282.db2.gz NEFOOJWYKNQXDK-FQEVSTJZSA-N 0 0 414.864 4.753 50 0 HJAARN COc1cccc([C@@H]2OCCN(Cc3ccccc3)C(=O)c3[nH]c4ccccc4c32)c1 ZINC000004722700 558922422 /nfs/dbraw/zinc/92/24/22/558922422.db2.gz FTGLWTHZSOHOHF-VWLOTQADSA-N 0 0 412.489 4.939 50 0 HJAARN O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1cnccc1Oc1ccccc1 ZINC000058376839 558922634 /nfs/dbraw/zinc/92/26/34/558922634.db2.gz PATAOVMAXFBBOT-UHFFFAOYSA-N 0 0 410.857 4.870 50 0 HJAARN C[C@@H](c1nc2ccccc2s1)N(C)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000058413379 558925311 /nfs/dbraw/zinc/92/53/11/558925311.db2.gz JRTKFYVZDUTRQE-JTQLQIEISA-N 0 0 418.437 4.836 50 0 HJAARN CCc1nc(-c2ccc(-n3cc(C(=O)Nc4ccc(Cl)cc4)c(C)n3)cc2)no1 ZINC000033258515 558925396 /nfs/dbraw/zinc/92/53/96/558925396.db2.gz ILJKRMBKSDQVOK-UHFFFAOYSA-N 0 0 407.861 4.699 50 0 HJAARN O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)Nc2ccc(-c3nccs3)cc2)C1 ZINC000058441413 558927645 /nfs/dbraw/zinc/92/76/45/558927645.db2.gz ONAKDXTVARBFRS-KRWDZBQOSA-N 0 0 406.511 4.693 50 0 HJAARN O=C(Cn1ccc2ccccc21)N1CCc2[nH]c3ccc(OC(F)(F)F)cc3c2C1 ZINC000072401189 558935698 /nfs/dbraw/zinc/93/56/98/558935698.db2.gz WHIBLAGVBTXHHU-UHFFFAOYSA-N 0 0 413.399 4.606 50 0 HJAARN COCCn1ccc2c1cccc2NC(=O)Cc1csc(-c2cccc(OC)c2)n1 ZINC000072401590 558936206 /nfs/dbraw/zinc/93/62/06/558936206.db2.gz FQVGZPCAXQVYTB-UHFFFAOYSA-N 0 0 421.522 4.601 50 0 HJAARN CCOc1ccc([C@H](CNC(=O)[C@@H](CC)OCC)c2c[nH]c3ccccc32)cc1OC ZINC000060032202 558940281 /nfs/dbraw/zinc/94/02/81/558940281.db2.gz COPBLVUGOXFIHG-SIKLNZKXSA-N 0 0 424.541 4.638 50 0 HJAARN O=C(NCc1ccc(Cn2ccccc2=O)cc1)c1cccc(Oc2ccccc2)c1 ZINC000060012610 558940352 /nfs/dbraw/zinc/94/03/52/558940352.db2.gz HOZJUJSYCWVXAX-UHFFFAOYSA-N 0 0 410.473 4.619 50 0 HJAARN CCOc1ccccc1NC(=O)[C@H](CC)n1nc(-c2cc(C)ccc2C)ccc1=O ZINC000021783559 558949176 /nfs/dbraw/zinc/94/91/76/558949176.db2.gz XDUJSNNREUKTIJ-NRFANRHFSA-N 0 0 405.498 4.516 50 0 HJAARN Cc1ccc(NC(=O)NCCc2nc3cccnc3n2-c2ccccc2)cc1Cl ZINC000033263741 558949317 /nfs/dbraw/zinc/94/93/17/558949317.db2.gz GCNRSKULLIXLDL-UHFFFAOYSA-N 0 0 405.889 4.747 50 0 HJAARN CC(C)Oc1ccc([C@H]2CC(=O)Nc3nc(SCc4ccccc4)[nH]c(=O)c32)cc1 ZINC000021784711 558949778 /nfs/dbraw/zinc/94/97/78/558949778.db2.gz UUJDGCYBQXVCLV-GOSISDBHSA-N 0 0 421.522 4.736 50 0 HJAARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@@H](c2cc(F)cc(F)c2)CC(=O)N3)cc1 ZINC000021784825 558949848 /nfs/dbraw/zinc/94/98/48/558949848.db2.gz MQQZNGIVCQJJNL-MRXNPFEDSA-N 0 0 413.449 4.535 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)NCCc1nc2cccnc2n1-c1ccccc1 ZINC000033263750 558951966 /nfs/dbraw/zinc/95/19/66/558951966.db2.gz SGKXYZRPQBPVTF-UHFFFAOYSA-N 0 0 405.889 4.747 50 0 HJAARN Cc1cc(C)cc(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCC2)c1 ZINC000021810561 558953338 /nfs/dbraw/zinc/95/33/38/558953338.db2.gz CYPLZCVYGHYAMR-VWLOTQADSA-N 0 0 419.525 4.719 50 0 HJAARN Cc1ccc(Cl)c(NC(=O)CSc2nnc(-c3ccccc3)n2C)c1Cl ZINC000006140444 558955663 /nfs/dbraw/zinc/95/56/63/558955663.db2.gz XQHAZHJTKMKATB-UHFFFAOYSA-N 0 0 407.326 4.828 50 0 HJAARN Cc1ccc(NC(=O)NCCCn2c(-c3ccncc3)nc3cccnc32)cc1Cl ZINC000033263847 558955983 /nfs/dbraw/zinc/95/59/83/558955983.db2.gz AGQOWMOMRVJNGJ-UHFFFAOYSA-N 0 0 420.904 4.667 50 0 HJAARN Cc1cc(C)c2c(=O)cc(CSCC(=O)Nc3cc(Cl)ccc3C)[nH]c2c1 ZINC000033064100 558956914 /nfs/dbraw/zinc/95/69/14/558956914.db2.gz ATUVJTQKICPDHS-UHFFFAOYSA-N 0 0 400.931 4.979 50 0 HJAARN Cc1cc(C)cc(NC(=O)Nc2cccc(OCc3cc(=O)n4ccccc4n3)c2)c1 ZINC000033067762 558957730 /nfs/dbraw/zinc/95/77/30/558957730.db2.gz CLOYJQPSSIMFHD-UHFFFAOYSA-N 0 0 414.465 4.534 50 0 HJAARN O=C(Nc1nc2ccccc2s1)c1ccc2oc(=O)n(Cc3ccccc3)c2c1 ZINC000064893969 558967141 /nfs/dbraw/zinc/96/71/41/558967141.db2.gz CPMAVZJLIOXRPA-UHFFFAOYSA-N 0 0 401.447 4.505 50 0 HJAARN COc1cccc(NC(=O)CSc2nc3ccccc3nc2Cc2ccccc2)c1 ZINC000033068743 558967430 /nfs/dbraw/zinc/96/74/30/558967430.db2.gz AMJZWIGQFHOOFZ-UHFFFAOYSA-N 0 0 415.518 4.960 50 0 HJAARN CCOc1ccc(-c2noc(-c3nn(-c4ccc(C)cc4)c(=O)c4ccccc43)n2)cc1 ZINC000064949599 558967672 /nfs/dbraw/zinc/96/76/72/558967672.db2.gz AMAOLAYSRXQJNF-UHFFFAOYSA-N 0 0 424.460 4.810 50 0 HJAARN CCc1ccc(-c2noc(-c3nn(-c4cccc(C)c4)c(=O)c4ccccc43)n2)cc1 ZINC000064949776 558967893 /nfs/dbraw/zinc/96/78/93/558967893.db2.gz QJXANCPQEMHSLK-UHFFFAOYSA-N 0 0 408.461 4.974 50 0 HJAARN CCOC(=O)c1sc2nc(-c3ccc(N(C)C)cc3)c(NC3CCCC3)n2c1C ZINC000065318763 558971119 /nfs/dbraw/zinc/97/11/19/558971119.db2.gz ZGIUECRXBWPMMH-UHFFFAOYSA-N 0 0 412.559 4.968 50 0 HJAARN COc1ccc(C)cc1NC(=O)c1cnc2c(-c3ccc(F)cc3)c(C)nn2c1C ZINC000021914230 558971350 /nfs/dbraw/zinc/97/13/50/558971350.db2.gz CTFMWVFZVNQJRI-UHFFFAOYSA-N 0 0 404.445 4.722 50 0 HJAARN CCOc1ccc(-c2c(-c3ccccc3)ncn2Cc2c(C)noc2C)cc1CO ZINC000065388230 558977077 /nfs/dbraw/zinc/97/70/77/558977077.db2.gz HEOJWTDASHOBBN-UHFFFAOYSA-N 0 0 403.482 4.761 50 0 HJAARN CCOc1ccc(-c2c(C)nn3c2ncc(C(=O)NCCC(C)C)c3C)cc1OCC ZINC000021913868 558977233 /nfs/dbraw/zinc/97/72/33/558977233.db2.gz BDLKQKVSUGUBQE-UHFFFAOYSA-N 0 0 424.545 4.586 50 0 HJAARN COc1ccc(C)cc1NC(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000021944519 558978395 /nfs/dbraw/zinc/97/83/95/558978395.db2.gz UIJNMQUTAVKTSX-UHFFFAOYSA-N 0 0 402.498 4.743 50 0 biogenic HJAARN CCOc1ccc(NC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc1 ZINC000021944633 558978481 /nfs/dbraw/zinc/97/84/81/558978481.db2.gz UTCQBUYPJLVFCK-UHFFFAOYSA-N 0 0 420.488 4.964 50 0 biogenic HJAARN COc1ccccc1/C=C(/NC(=O)c1ccc(C)cc1)C(=O)Nc1ccc(C)cc1 ZINC000096602431 558981586 /nfs/dbraw/zinc/98/15/86/558981586.db2.gz IGTZZBXWSPFGPZ-CJLVFECKSA-N 0 0 400.478 4.722 50 0 HJAARN COC(=O)C[C@H](NC(=O)OC(C)(C)C(Cl)(Cl)Cl)c1c[nH]c2ccccc21 ZINC000096602585 558981837 /nfs/dbraw/zinc/98/18/37/558981837.db2.gz OXMRQUAYUVOJRN-ZDUSSCGKSA-N 0 0 421.708 4.647 50 0 HJAARN CCNC(=O)N1CCC[C@H](c2cccc(C(=O)N[C@@H](C)c3ccc(CC)cc3)c2)C1 ZINC000033264200 558984710 /nfs/dbraw/zinc/98/47/10/558984710.db2.gz MJLOCAFZXRQUHE-MBSDFSHPSA-N 0 0 407.558 4.649 50 0 HJAARN CCCN1C(=O)N(c2ccccc2C)[C@@H](N(O)C(=O)Nc2ccccc2C)C1(C)C ZINC000004728773 558985792 /nfs/dbraw/zinc/98/57/92/558985792.db2.gz JOGLCVRHMYPQID-FQEVSTJZSA-N 0 0 410.518 4.983 50 0 HJAARN CCOc1c(Br)cc(C(=O)N[C@@H](c2ccccc2)C2CC2)cc1OC ZINC000011211690 558985924 /nfs/dbraw/zinc/98/59/24/558985924.db2.gz HADCGAKQFCEWNK-SFHVURJKSA-N 0 0 404.304 4.738 50 0 HJAARN CCCCn1cc(S(=O)(=O)c2cccc(Cl)c2)c(=O)c2cc(F)c(F)cc21 ZINC000067340622 558986374 /nfs/dbraw/zinc/98/63/74/558986374.db2.gz GBINPYKEQUQDFO-UHFFFAOYSA-N 0 0 411.857 4.566 50 0 HJAARN COc1ccc(-c2csc(-c3nnn(-c4ccc(F)cc4C)c3C)n2)cc1OC ZINC000067341655 558986383 /nfs/dbraw/zinc/98/63/83/558986383.db2.gz GMJSHJWMIBRVOE-UHFFFAOYSA-N 0 0 410.474 4.831 50 0 HJAARN CCCc1noc(CCCC(=O)Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)n1 ZINC000097000985 558987646 /nfs/dbraw/zinc/98/76/46/558987646.db2.gz LEHKDGAFPXKLTR-OAQYLSRUSA-N 0 0 407.514 4.650 50 0 HJAARN COc1ccc2ccc(OCc3nc(C(=O)N(C)[C@@H](C)c4cccnc4)co3)cc2c1 ZINC000067833404 558993516 /nfs/dbraw/zinc/99/35/16/558993516.db2.gz UTKKUGSBRBENGF-INIZCTEOSA-N 0 0 417.465 4.644 50 0 HJAARN COc1ccc(-c2cnn3c2nc(C)cc3SCC(=O)Nc2ccc(C)cc2)cc1 ZINC000033269049 558993692 /nfs/dbraw/zinc/99/36/92/558993692.db2.gz OMMTWHYDINHTKW-UHFFFAOYSA-N 0 0 418.522 4.753 50 0 HJAARN Cc1ccc2[nH]c(N3CCC(C(=O)N[C@@H](C)C45CC6CC(CC(C6)C4)C5)CC3)nc2c1 ZINC000033269070 558993739 /nfs/dbraw/zinc/99/37/39/558993739.db2.gz PFJJBPIHQMCGKZ-BALBBAFXSA-N 0 0 420.601 4.809 50 0 HJAARN Cc1[nH]nc(-c2cc(S(=O)(=O)N3CC=C(c4ccccc4)CC3)c(C)s2)c1C ZINC000097112426 558994854 /nfs/dbraw/zinc/99/48/54/558994854.db2.gz YUEKIUDIQAXHQW-UHFFFAOYSA-N 0 0 413.568 4.541 50 0 HJAARN O=C(Nc1ccc2c(c1)OCO2)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000022504887 558997627 /nfs/dbraw/zinc/99/76/27/558997627.db2.gz ZBDNQPOTKKBFHF-UHFFFAOYSA-N 0 0 415.449 4.652 50 0 HJAARN O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000076981643 558998828 /nfs/dbraw/zinc/99/88/28/558998828.db2.gz FIXQMVBYVVAOFE-UHFFFAOYSA-N 0 0 419.912 4.893 50 0 HJAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)COc1c(Cl)cccc1Cl ZINC000023080075 558999764 /nfs/dbraw/zinc/99/97/64/558999764.db2.gz WYHSODMECFAUQI-UHFFFAOYSA-N 0 0 409.313 4.558 50 0 HJAARN Cc1ccc(C(=O)Nc2ccc3nc(C)n(-c4ccc(F)cc4)c(=O)c3c2)cc1C ZINC000023143906 559020990 /nfs/dbraw/zinc/02/09/90/559020990.db2.gz FGBUEDLFYJVDRE-UHFFFAOYSA-N 0 0 401.441 4.702 50 0 HJAARN Cc1nc2sc([C@@H](c3ccccc3)[NH+]3CCC(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000023156784 559022719 /nfs/dbraw/zinc/02/27/19/559022719.db2.gz ZDIXKPQMSXJPMV-OAQYLSRUSA-N 0 0 418.566 4.849 50 0 HJAARN Cc1ccc(NS(=O)(=O)c2cc(-c3noc(C4CC4)n3)ccc2C)c(Cl)c1 ZINC000033269661 559032422 /nfs/dbraw/zinc/03/24/22/559032422.db2.gz JLMOIZAIGHIQBN-UHFFFAOYSA-N 0 0 403.891 4.685 50 0 HJAARN O=C(/C=C/c1ccccc1)n1nc(-c2cccnc2)nc1NCc1ccc(Cl)cc1 ZINC000004732423 559032779 /nfs/dbraw/zinc/03/27/79/559032779.db2.gz YMVULPJXQDPXQL-JLHYYAGUSA-N 0 0 415.884 4.959 50 0 HJAARN CCOc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccc(C)cc2s1 ZINC000033271469 559032931 /nfs/dbraw/zinc/03/29/31/559032931.db2.gz WXXJSYDORHEJEM-MRXNPFEDSA-N 0 0 418.522 4.972 50 0 HJAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccc(C)cc3)sc2c1 ZINC000033271669 559033085 /nfs/dbraw/zinc/03/30/85/559033085.db2.gz MLHBRCLYWAMQLB-KRWDZBQOSA-N 0 0 418.522 4.972 50 0 HJAARN Cc1cc(C)cc(NC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)c1 ZINC000033271978 559033331 /nfs/dbraw/zinc/03/33/31/559033331.db2.gz CBZRMOZJHACKSQ-UHFFFAOYSA-N 0 0 406.507 4.670 50 0 HJAARN CCc1ccc(NC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)cc1 ZINC000033272004 559033474 /nfs/dbraw/zinc/03/34/74/559033474.db2.gz FKYAZWNPFKBTPX-UHFFFAOYSA-N 0 0 406.507 4.615 50 0 HJAARN Cc1nc(-c2ccc(C)c(-n3cc(C(=O)Nc4ccc(F)cc4C)c(C)n3)c2)no1 ZINC000033275295 559034887 /nfs/dbraw/zinc/03/48/87/559034887.db2.gz KYHUPKPWDXWSRP-UHFFFAOYSA-N 0 0 405.433 4.547 50 0 HJAARN Cc1ccc(NC(=O)N2CCC(n3cnc4c(Cl)cccc4c3=O)CC2)c(C)c1 ZINC000033278434 559041773 /nfs/dbraw/zinc/04/17/73/559041773.db2.gz ZYHZGTOMDZHEGW-UHFFFAOYSA-N 0 0 410.905 4.536 50 0 HJAARN Cc1ccc(Sc2nccnc2SCC(=O)NCc2cc(F)cc(F)c2)cc1 ZINC000033288825 559044392 /nfs/dbraw/zinc/04/43/92/559044392.db2.gz FZAVZKUYMHRNQZ-UHFFFAOYSA-N 0 0 417.506 4.623 50 0 HJAARN C[C@@H](NC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc21)c1ccccc1 ZINC000004742861 559044633 /nfs/dbraw/zinc/04/46/33/559044633.db2.gz KLEJPCWSIFJSAQ-CRICUBBOSA-N 0 0 409.489 4.591 50 0 HJAARN COc1ccc(/C=C\C(=O)Nc2c(C)nn(Cc3ccc(C)cc3)c2C)cc1OC ZINC000033291212 559045688 /nfs/dbraw/zinc/04/56/88/559045688.db2.gz YIHAJHVLMSAJLR-QBFSEMIESA-N 0 0 405.498 4.526 50 0 HJAARN COc1ccc(-c2c[nH]c3c2ncnc3SCC(=O)Nc2cccc(C)c2)cc1 ZINC000033291873 559045960 /nfs/dbraw/zinc/04/59/60/559045960.db2.gz SYZYIMBCXAJKND-UHFFFAOYSA-N 0 0 404.495 4.673 50 0 HJAARN COc1cccc(CNC(=O)CCc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)c1 ZINC000004743831 559046241 /nfs/dbraw/zinc/04/62/41/559046241.db2.gz MQNDQDCCUHZPFS-UHFFFAOYSA-N 0 0 419.477 4.722 50 0 HJAARN Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCc3ccccc3Cl)c(C)c21 ZINC000004744331 559046360 /nfs/dbraw/zinc/04/63/60/559046360.db2.gz YSPBVHWCBXZDBY-UHFFFAOYSA-N 0 0 409.869 4.977 50 0 HJAARN Cc1cc(C)c(C2=NON3N(C(=O)c4ccc(F)cc4)c4ccccc4N23)c(C)c1 ZINC000004746475 559046654 /nfs/dbraw/zinc/04/66/54/559046654.db2.gz RYPHWNONULCLOJ-UHFFFAOYSA-N 0 0 402.429 4.657 50 0 HJAARN Cc1nc(-c2csc(S(=O)(=O)NCc3c(C)cc(C)cc3C)c2)sc1C ZINC000033297692 559047623 /nfs/dbraw/zinc/04/76/23/559047623.db2.gz RZERQFYKRKKSEI-UHFFFAOYSA-N 0 0 406.598 4.892 50 0 HJAARN COc1ccc2[nH]c3c(ncnc3SCC(=O)Nc3ccc(F)c(Cl)c3)c2c1 ZINC000033298731 559047986 /nfs/dbraw/zinc/04/79/86/559047986.db2.gz ZYUKZZQIOZATPF-UHFFFAOYSA-N 0 0 416.865 4.643 50 0 HJAARN CCSc1nc2ccc(NS(=O)(=O)Cc3cc(F)cc(F)c3)cc2s1 ZINC000033298870 559048110 /nfs/dbraw/zinc/04/81/10/559048110.db2.gz GHWUYKALBQCOQZ-UHFFFAOYSA-N 0 0 400.497 4.628 50 0 HJAARN COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OC ZINC000033293801 559048702 /nfs/dbraw/zinc/04/87/02/559048702.db2.gz HBQVAWBYVASWPH-MHWRWJLKSA-N 0 0 405.859 4.607 50 0 HJAARN O=C(Nc1ccc(OCc2nnc(-c3ccc(Cl)cc3)o2)cc1)c1ccccn1 ZINC000033308381 559052514 /nfs/dbraw/zinc/05/25/14/559052514.db2.gz WLWJXMQLLOOQMH-UHFFFAOYSA-N 0 0 406.829 4.616 50 0 HJAARN CCc1nc(-c2cc(S(=O)(=O)Nc3ccc(F)cc3F)c(C)s2)cs1 ZINC000033308437 559052627 /nfs/dbraw/zinc/05/26/27/559052627.db2.gz JNDSRVWOCXPUKL-UHFFFAOYSA-N 0 0 400.497 4.821 50 0 HJAARN CCOc1ccc([C@@H](C)NC(=O)c2cccc(-c3nccnc3N3CCCC3)c2)cc1 ZINC000033313008 559055029 /nfs/dbraw/zinc/05/50/29/559055029.db2.gz MZFPXLHFYCOPDN-GOSISDBHSA-N 0 0 416.525 4.634 50 0 HJAARN Cc1ccc(N2CCn3c(nc4ccccc43)C2)cc1NC(=O)c1ccc(F)cc1 ZINC000033320582 559057616 /nfs/dbraw/zinc/05/76/16/559057616.db2.gz 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CCCn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)nnc1-c1ccncc1 ZINC000004800248 559066681 /nfs/dbraw/zinc/06/66/81/559066681.db2.gz SIDUAILLPSPOIB-UHFFFAOYSA-N 0 0 409.559 4.778 50 0 HJAARN CSc1ccc(-c2csc(NC(=O)c3cccc(N4CCCC4=O)c3)n2)cc1 ZINC000011423315 559075560 /nfs/dbraw/zinc/07/55/60/559075560.db2.gz MXOKTCBPOVYVRU-UHFFFAOYSA-N 0 0 409.536 4.911 50 0 HJAARN CC(=O)NCCc1ccc(-c2csc(NC(=O)C[C@H](C)c3ccccc3)n2)cc1 ZINC000011453867 559077035 /nfs/dbraw/zinc/07/70/35/559077035.db2.gz JVEPDBACJMUICU-INIZCTEOSA-N 0 0 407.539 4.621 50 0 HJAARN CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ncoc2C)cc1 ZINC000095520331 559085133 /nfs/dbraw/zinc/08/51/33/559085133.db2.gz GVYMWBZKWWJVHC-HSZRJFAPSA-N 0 0 401.466 4.651 50 0 HJAARN Cc1cccc(C(=O)n2nc(-c3cccnc3)nc2NCc2ccc(Cl)cc2)c1 ZINC000004816437 559088932 /nfs/dbraw/zinc/08/89/32/559088932.db2.gz JAQXQCMYJNHALZ-UHFFFAOYSA-N 0 0 403.873 4.603 50 0 HJAARN O=C(NCc1ccco1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023305994 559108824 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Cc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)c3ccc(Cl)nc3)CC2)cc1 ZINC000023317756 559117502 /nfs/dbraw/zinc/11/75/02/559117502.db2.gz JWUPBBFJKBPNEY-HSZRJFAPSA-N 0 0 405.929 4.591 50 0 HJAARN CCN1c2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2C(=O)N2CCCC[C@H]12 ZINC000097944084 559124605 /nfs/dbraw/zinc/12/46/05/559124605.db2.gz QMKYKFMDDWHBPX-LJQANCHMSA-N 0 0 401.869 4.524 50 0 HJAARN CCOc1ccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1 ZINC000098073040 559126673 /nfs/dbraw/zinc/12/66/73/559126673.db2.gz CAOUOPFTXHAMEF-UHFFFAOYSA-N 0 0 424.238 4.667 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000098211331 559127280 /nfs/dbraw/zinc/12/72/80/559127280.db2.gz UBLSVJMKEAIEKC-UHFFFAOYSA-N 0 0 410.836 4.945 50 0 HJAARN COc1cc(Cl)c(C)cc1NC(=O)Cn1cccc1-c1nc(-c2ccccc2)no1 ZINC000098211369 559127301 /nfs/dbraw/zinc/12/73/01/559127301.db2.gz QTVFIFCSIVMAOP-UHFFFAOYSA-N 0 0 422.872 4.814 50 0 HJAARN O=C1C[C@H](Sc2nc3ccccc3s2)C(=O)N1c1ccccc1C(F)(F)F ZINC000100114928 559129920 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CN(C)C(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cc2ccccc2)cc1 ZINC000014315578 559163850 /nfs/dbraw/zinc/16/38/50/559163850.db2.gz NDUAMRQXWNNDKP-UHFFFAOYSA-N 0 0 422.912 4.650 50 0 HJAARN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1F ZINC000004834942 559165468 /nfs/dbraw/zinc/16/54/68/559165468.db2.gz ZMJAPIRAXNSGPD-UHFFFAOYSA-N 0 0 404.850 4.532 50 0 HJAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)[C@@H](C)Oc1ccccc1 ZINC000023328598 559166792 /nfs/dbraw/zinc/16/67/92/559166792.db2.gz WQAMNISAOOLXRH-MRXNPFEDSA-N 0 0 409.507 4.922 50 0 HJAARN CCOC(=O)c1ccc2c(c1)nc(SCc1cc(F)c(F)c(F)c1)n2CCOC ZINC000023331898 559170467 /nfs/dbraw/zinc/17/04/67/559170467.db2.gz JISDCUPXANTFFO-UHFFFAOYSA-N 0 0 424.444 4.569 50 0 HJAARN Cc1ccc(F)c(C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(F)cc3)CC2)c1F ZINC000023332682 559171430 /nfs/dbraw/zinc/17/14/30/559171430.db2.gz CCGCUONYRFDLCQ-DEOSSOPVSA-N 0 0 424.466 4.960 50 0 HJAARN Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)N(C)C4CCCCC4)c3)n2)o1 ZINC000023333971 559172138 /nfs/dbraw/zinc/17/21/38/559172138.db2.gz WGQZNJVDFNJKJH-UHFFFAOYSA-N 0 0 421.545 4.834 50 0 HJAARN COC(=O)c1ccc(C(=O)N2CCc3ccccc3[C@@H]2c2ccccc2Cl)cc1 ZINC000023335690 559172362 /nfs/dbraw/zinc/17/23/62/559172362.db2.gz JHFRPZRQMRPJFA-JOCHJYFZSA-N 0 0 405.881 4.915 50 0 HJAARN COc1ccc(-c2cccc(-n3cncc3C(=O)N(C)C3CCCCC3)c2)cc1OC ZINC000023334714 559172726 /nfs/dbraw/zinc/17/27/26/559172726.db2.gz QQVYWPVIKQRAIN-UHFFFAOYSA-N 0 0 419.525 4.961 50 0 HJAARN Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)N4C[C@H](C)C[C@@H](C)C4)c3)n2)o1 ZINC000023334545 559172734 /nfs/dbraw/zinc/17/27/34/559172734.db2.gz ZHUMRXTZJUGERR-IAGOWNOFSA-N 0 0 421.545 4.547 50 0 HJAARN CCC[C@H](C)NC(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccccc2C)cc1 ZINC000023334902 559172799 /nfs/dbraw/zinc/17/27/99/559172799.db2.gz VXLCJFJHISVTMT-SFHVURJKSA-N 0 0 419.525 4.943 50 0 HJAARN COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCc2ccc(C)n2C)cc1 ZINC000023575875 559177288 /nfs/dbraw/zinc/17/72/88/559177288.db2.gz GRNHUICQPASSEJ-UHFFFAOYSA-N 0 0 401.510 4.739 50 0 HJAARN C[C@]12CCC(=O)N1[C@H](C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)CS2 ZINC000023682272 559179160 /nfs/dbraw/zinc/17/91/60/559179160.db2.gz BXBCNPUTASFPGG-JXFKEZNVSA-N 0 0 402.903 4.525 50 0 HJAARN COc1cc(CC(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000050357809 559181519 /nfs/dbraw/zinc/18/15/19/559181519.db2.gz ILORZNKYXFNYDG-UHFFFAOYSA-N 0 0 412.313 4.613 50 0 HJAARN Cn1c(C(=O)NC2CCCCCCCCCCC2)cc2c1nc1ccccn1c2=O ZINC000011691371 559183786 /nfs/dbraw/zinc/18/37/86/559183786.db2.gz IZMJOHOOTZIUKC-UHFFFAOYSA-N 0 0 408.546 4.589 50 0 HJAARN CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCC[C@@H]2c2cccs2)nc1 ZINC000023936219 559186014 /nfs/dbraw/zinc/18/60/14/559186014.db2.gz MDXYIXQKRQDMAW-LJQANCHMSA-N 0 0 413.568 4.700 50 0 HJAARN CC[C@H](C(=O)Nc1cc(-c2cn3nc(OC)ccc3n2)ccc1F)c1ccccc1 ZINC000011693535 559187787 /nfs/dbraw/zinc/18/77/87/559187787.db2.gz KUMJEKRCLODNIX-KRWDZBQOSA-N 0 0 404.445 4.676 50 0 HJAARN Cc1ccnn1-c1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1 ZINC000024028912 559188085 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Cc1ccc(-n2c(=O)c3c4c(sc3n(Cc3ccc(F)cc3)c2=O)CCC4)cc1C ZINC000004877791 559195626 /nfs/dbraw/zinc/19/56/26/559195626.db2.gz BGHZFDZEHVKUEB-UHFFFAOYSA-N 0 0 420.509 4.507 50 0 HJAARN Cc1ccc(-n2c(=O)c3c4c(sc3n(Cc3ccccc3C)c2=O)CCC4)cc1C ZINC000004877783 559195655 /nfs/dbraw/zinc/19/56/55/559195655.db2.gz PZVNYTLTLMMDQK-UHFFFAOYSA-N 0 0 416.546 4.676 50 0 HJAARN Cc1sc2c(c1C)c(=O)n(-c1ccc(C)c(C)c1)c(=O)n2Cc1cccc(F)c1 ZINC000004877819 559195661 /nfs/dbraw/zinc/19/56/61/559195661.db2.gz SUDCCZVJMIAGGA-UHFFFAOYSA-N 0 0 408.498 4.635 50 0 HJAARN CSc1nc2n(n1)[C@H](c1ccc(C)cc1)C(C(=O)Nc1ccc(C)cc1C)=C(C)N2 ZINC000004878963 559195917 /nfs/dbraw/zinc/19/59/17/559195917.db2.gz JNHBHMMIKBTPJX-HXUWFJFHSA-N 0 0 419.554 4.853 50 0 HJAARN COc1ccc(CCNC(=O)c2cc3cc4ccc(C)cc4nc3s2)cc1OC ZINC000004885942 559196881 /nfs/dbraw/zinc/19/68/81/559196881.db2.gz SHDAQUXOCKOXRA-UHFFFAOYSA-N 0 0 406.507 4.748 50 0 HJAARN COc1ccc(OC)c(Nc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2Cl)c1 ZINC000004885503 559196902 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C[C@@H]1C[C@H](C)CN(C(=O)c2cn(C3CCCC3)c(=O)c3c2c2ccccc2n3C)C1 ZINC000004904534 559200470 /nfs/dbraw/zinc/20/04/70/559200470.db2.gz CFRJIXCBZRIWHK-CALCHBBNSA-N 0 0 405.542 4.726 50 0 HJAARN CCN(CCCNC(=O)c1cc2cc3cc(OC)ccc3nc2o1)c1ccccc1 ZINC000004907593 559200855 /nfs/dbraw/zinc/20/08/55/559200855.db2.gz UVBWRCICQWHVIW-UHFFFAOYSA-N 0 0 403.482 4.636 50 0 HJAARN Cc1ccc(-n2ncc3c4nc(COc5cc(C)ccc5C(C)C)nn4cnc32)cc1 ZINC000004909663 559201452 /nfs/dbraw/zinc/20/14/52/559201452.db2.gz JJWAUBIHKXFJTK-UHFFFAOYSA-N 0 0 412.497 4.782 50 0 HJAARN CC(C)CC(=O)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)CC(C)C ZINC000004916248 559204209 /nfs/dbraw/zinc/20/42/09/559204209.db2.gz MPDZBGCYHGGFQG-UHFFFAOYSA-N 0 0 421.534 4.624 50 0 HJAARN CCN(C(=O)CCc1nc(-c2ccccc2F)no1)c1cc(Cl)ccc1OC ZINC000004921508 559206887 /nfs/dbraw/zinc/20/68/87/559206887.db2.gz STGMSQWEQRHLMY-UHFFFAOYSA-N 0 0 403.841 4.523 50 0 HJAARN COc1ccc(OC)c(NC(=O)CSc2c3ccccc3nc3c2CCCC3)c1 ZINC000004922229 559207010 /nfs/dbraw/zinc/20/70/10/559207010.db2.gz OXILAGNRKLXZSO-UHFFFAOYSA-N 0 0 408.523 4.862 50 0 HJAARN S=C(NCCn1ccc2ccccc21)NCc1ccc2[nH]c3c(c2c1)CCCC3 ZINC000004925208 559207732 /nfs/dbraw/zinc/20/77/32/559207732.db2.gz WUIJJDSULKLTJD-UHFFFAOYSA-N 0 0 402.567 4.666 50 0 HJAARN COCCCNC(=O)CSc1nc(-c2cccc(Cl)c2)[nH]c1-c1ccccc1 ZINC000004927846 559208266 /nfs/dbraw/zinc/20/82/66/559208266.db2.gz YNUBLMHXDFTEQR-UHFFFAOYSA-N 0 0 415.946 4.642 50 0 HJAARN Cc1nn2c(nc(C)c(CCC(=O)NCCc3ccccc3)c2C)c1-c1ccccc1 ZINC000004935760 559210650 /nfs/dbraw/zinc/21/06/50/559210650.db2.gz PXQSFOIWHYSXEF-UHFFFAOYSA-N 0 0 412.537 4.613 50 0 HJAARN COc1ccc(C)cc1NC(=O)CSc1nn(-c2ccccc2)c(=S)s1 ZINC000004933897 559210973 /nfs/dbraw/zinc/21/09/73/559210973.db2.gz JASXRGBGRMVILH-UHFFFAOYSA-N 0 0 403.554 4.711 50 0 HJAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1ccccc1F ZINC000004936898 559212011 /nfs/dbraw/zinc/21/20/11/559212011.db2.gz ZEEXPTIWZUOXSS-UHFFFAOYSA-N 0 0 401.437 4.819 50 0 HJAARN CC1(C)C[C@@H](NC(=O)c2cccc(F)c2)C[C@@](C)(CNC(=O)c2cccc(F)c2)C1 ZINC000004948401 559214728 /nfs/dbraw/zinc/21/47/28/559214728.db2.gz LDIXUERNYDPSEP-HYBUGGRVSA-N 0 0 414.496 4.710 50 0 HJAARN C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1cccc(Oc2ccccc2)c1 ZINC000004966400 559218458 /nfs/dbraw/zinc/21/84/58/559218458.db2.gz OUBXWMSOJXKLRS-LJQANCHMSA-N 0 0 403.478 4.773 50 0 HJAARN CCOc1ccc(-n2c(=O)c3cnn(-c4ccc(C)cc4)c3nc2-c2ccco2)cc1 ZINC000004971973 559221060 /nfs/dbraw/zinc/22/10/60/559221060.db2.gz PZWUEKIYFYHVJL-UHFFFAOYSA-N 0 0 412.449 4.539 50 0 HJAARN COc1ccc(C(=O)N[C@H](C)c2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1OC ZINC000004998180 559225761 /nfs/dbraw/zinc/22/57/61/559225761.db2.gz VGPNKYUMCCQXKA-CQSZACIVSA-N 0 0 409.486 4.542 50 0 HJAARN CCc1cc2c(nc(SCC(=O)c3ccccc3)n(Cc3ccco3)c2=O)s1 ZINC000005001004 559226592 /nfs/dbraw/zinc/22/65/92/559226592.db2.gz PUDPQPOBTMXFQF-UHFFFAOYSA-N 0 0 410.520 4.637 50 0 HJAARN COc1ccc(-c2nc(CSCC(=O)N[C@H]3CCCC[C@H]3C)c(C)o2)cc1OC ZINC000005057231 559237862 /nfs/dbraw/zinc/23/78/62/559237862.db2.gz KPGGIQCZPDSWRL-PBHICJAKSA-N 0 0 418.559 4.595 50 0 HJAARN COc1ccc(-c2nc(CSCC(=O)N[C@H]3CCCC[C@@H]3C)c(C)o2)cc1OC ZINC000005057215 559237869 /nfs/dbraw/zinc/23/78/69/559237869.db2.gz KPGGIQCZPDSWRL-YOEHRIQHSA-N 0 0 418.559 4.595 50 0 HJAARN Fc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000005053753 559238915 /nfs/dbraw/zinc/23/89/15/559238915.db2.gz MCZWQRPBPUICEI-PKTZIBPZSA-N 0 0 414.415 4.769 50 0 HJAARN CC[C@H]1CCCCN1C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC000005079488 559242143 /nfs/dbraw/zinc/24/21/43/559242143.db2.gz DSLAVKMUKIELPA-SFHVURJKSA-N 0 0 413.901 4.519 50 0 HJAARN CCCCCCOC(=O)c1c(N)n(-c2cccc(OC)c2)c2nc3ccccc3nc21 ZINC000005100873 559245423 /nfs/dbraw/zinc/24/54/23/559245423.db2.gz MBSHXDUYRSIRQY-UHFFFAOYSA-N 0 0 418.497 4.902 50 0 HJAARN CCOc1ccc2nc(N3CCC[C@@H](C(=O)NCCC4=CCCCC4)C3)sc2c1 ZINC000005106071 559245900 /nfs/dbraw/zinc/24/59/00/559245900.db2.gz PXDAONWUZOXSHJ-GOSISDBHSA-N 0 0 413.587 4.918 50 0 HJAARN CC(=O)N1CC2=C(C1=O)[C@H](c1cccc(O)c1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409414133 559249807 /nfs/dbraw/zinc/24/98/07/559249807.db2.gz OSKZUQKOBQDBBK-OAQYLSRUSA-N 0 0 401.466 4.778 50 0 HJAARN Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)COc1ccc(F)cc1 ZINC000005136945 559249997 /nfs/dbraw/zinc/24/99/97/559249997.db2.gz APAWUHZWIALKCP-UHFFFAOYSA-N 0 0 404.894 4.649 50 0 HJAARN CCOc1ccc(CNC(=O)C2CCN(c3nc4c(cc(C)cc4C)s3)CC2)cc1 ZINC000005137161 559250082 /nfs/dbraw/zinc/25/00/82/559250082.db2.gz WYECXYPDTBAMNX-UHFFFAOYSA-N 0 0 423.582 4.845 50 0 HJAARN COC(=O)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccc(OC)c4)=NN32)cc1 ZINC000005139488 559251042 /nfs/dbraw/zinc/25/10/42/559251042.db2.gz JNSIPKVGNDUFPS-ISKFKSNPSA-N 0 0 414.461 4.724 50 0 HJAARN O=C(CCc1ccccc1)N(Cc1cccnc1)c1nc2cc3c(cc2s1)OCO3 ZINC000005142240 559251853 /nfs/dbraw/zinc/25/18/53/559251853.db2.gz JYFGOHZIRSMUEK-UHFFFAOYSA-N 0 0 417.490 4.586 50 0 HJAARN COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)c3ccccc3C)nc21 ZINC000005142409 559251924 /nfs/dbraw/zinc/25/19/24/559251924.db2.gz FTXQMEOQRDUCEI-UHFFFAOYSA-N 0 0 419.506 4.864 50 0 HJAARN COc1ccc(C(=O)N(Cc2cccnc2)c2nc3c(cc(F)cc3F)s2)cc1 ZINC000005142424 559251928 /nfs/dbraw/zinc/25/19/28/559251928.db2.gz QNGGSMAJKFVTQI-UHFFFAOYSA-N 0 0 411.433 4.825 50 0 HJAARN COc1ccc(NC(=O)Cc2csc3nc(-c4ccc(C)cc4)cn23)cc1OC ZINC000005147137 559252785 /nfs/dbraw/zinc/25/27/85/559252785.db2.gz NWNHQMIOXSKEQM-UHFFFAOYSA-N 0 0 407.495 4.570 50 0 HJAARN CCC(=O)N(Cc1ccc(F)cc1)c1ccc(CC(=O)NCc2ccccc2)cc1 ZINC000037555109 559254926 /nfs/dbraw/zinc/25/49/26/559254926.db2.gz HKUSBRYCNHXRDP-UHFFFAOYSA-N 0 0 404.485 4.628 50 0 HJAARN COc1cccc(N(C(=O)C(C)C)C2CCN(Cc3ccc(F)cc3F)CC2)c1 ZINC000037587443 559255492 /nfs/dbraw/zinc/25/54/92/559255492.db2.gz OKYJMLWCEDURJL-UHFFFAOYSA-N 0 0 402.485 4.627 50 0 HJAARN CCN(C)C(=O)c1cc2sc(Br)cc2n1Cc1ccc(F)cc1F ZINC000037588249 559255497 /nfs/dbraw/zinc/25/54/97/559255497.db2.gz YJXJVIWHCCSPQN-UHFFFAOYSA-N 0 0 413.287 4.884 50 0 HJAARN CCCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@@H](c1ccc(C)cc1)N(C(=O)CC)CC2 ZINC000037602408 559255667 /nfs/dbraw/zinc/25/56/67/559255667.db2.gz IBBOWLCBDPSULN-UKILVPOCSA-N 0 0 422.569 4.563 50 0 HJAARN COc1ccc(-n2nnc3c2ncnc3SCc2cccc(C(F)(F)F)c2)cc1 ZINC000011758693 559258072 /nfs/dbraw/zinc/25/80/72/559258072.db2.gz ZQAUWIGUIVAGFW-UHFFFAOYSA-N 0 0 417.416 4.530 50 0 HJAARN O=C(Nc1ncc2c(n1)C[C@H](c1ccc(Cl)cc1)CC2=O)c1ccc(Cl)cc1 ZINC000005156880 559261577 /nfs/dbraw/zinc/26/15/77/559261577.db2.gz QUNOZMUEXGNEDT-AWEZNQCLSA-N 0 0 412.276 4.948 50 0 HJAARN COc1ccccc1NC(=O)[C@@H](C)Sc1nnc2cc(C)c3cccc(C)c3n21 ZINC000011907688 559266841 /nfs/dbraw/zinc/26/68/41/559266841.db2.gz YZPKWVSDCYUUKJ-OAHLLOKOSA-N 0 0 406.511 4.627 50 0 HJAARN CCc1ccc(-n2ccc(=O)c(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1 ZINC000011913860 559267107 /nfs/dbraw/zinc/26/71/07/559267107.db2.gz PKBDFFOEWWIPEY-UHFFFAOYSA-N 0 0 421.806 4.719 50 0 HJAARN Cc1cc(C)cc(OCC(=O)Nc2nc(-c3ccc(Br)cc3)ns2)c1 ZINC000011914197 559267483 /nfs/dbraw/zinc/26/74/83/559267483.db2.gz WTIXVPYHQPRMKN-UHFFFAOYSA-N 0 0 418.316 4.602 50 0 HJAARN COC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc(Cl)cc3)on1)CCCC2 ZINC000011915945 559267932 /nfs/dbraw/zinc/26/79/32/559267932.db2.gz HWZLECWDSGJYRF-UHFFFAOYSA-N 0 0 416.886 4.974 50 0 HJAARN COc1cc(OC)c(C2=CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c(OC)c1 ZINC000011918516 559268086 /nfs/dbraw/zinc/26/80/86/559268086.db2.gz UJIQQTQIKKGATC-UHFFFAOYSA-N 0 0 421.415 4.661 50 0 HJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cc(-c2ccc(C)c(F)c2)on1 ZINC000011916927 559268288 /nfs/dbraw/zinc/26/82/88/559268288.db2.gz TYTZYAAPEUSXTC-UHFFFAOYSA-N 0 0 402.447 4.896 50 0 HJAARN C[C@H](NC(=O)c1cn(Cc2cccc(C(F)(F)F)c2)nn1)c1cccc2ccccc21 ZINC000011955741 559269178 /nfs/dbraw/zinc/26/91/78/559269178.db2.gz CPYIPSJVIPNEKP-HNNXBMFYSA-N 0 0 424.426 4.989 50 0 HJAARN CCCCN1C(=O)/C(=C/c2ccc(N3CCOCC3)o2)S/C1=N\c1ccccc1 ZINC000002174522 559275192 /nfs/dbraw/zinc/27/51/92/559275192.db2.gz GMPFTFRWUHRMSO-QUBBQYHMSA-N 0 0 411.527 4.520 50 0 HJAARN Oc1ccc2c(c1)Oc1ncn3nc(-c4ccc(F)cc4)nc3c1[C@@H]2c1ccccc1 ZINC000005164493 559275928 /nfs/dbraw/zinc/27/59/28/559275928.db2.gz HTMBAPHXKLFYEM-HXUWFJFHSA-N 0 0 410.408 4.922 50 0 HJAARN COc1cccc(NC(=O)c2cc3ccccc3oc2=Nc2ccccc2OC)c1 ZINC000252674798 559279273 /nfs/dbraw/zinc/27/92/73/559279273.db2.gz SORGDOSIDVFDNE-UHFFFAOYSA-N 0 0 400.434 4.935 50 0 HJAARN O=S(=O)(N[C@H](c1cccs1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000000792916 559279523 /nfs/dbraw/zinc/27/95/23/559279523.db2.gz IMBIUPZKBAEJRG-LLVKDONJSA-N 0 0 405.155 4.791 50 0 HJAARN CCCC[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000137625875 559280679 /nfs/dbraw/zinc/28/06/79/559280679.db2.gz HKJYIXSCILEBFO-CEXWTWQISA-N 0 0 419.308 4.862 50 0 HJAARN CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3Cl)o2)cc1 ZINC000005169821 559287366 /nfs/dbraw/zinc/28/73/66/559287366.db2.gz YFYHHUZBURAWKB-UHFFFAOYSA-N 0 0 403.891 4.828 50 0 aggregator HJAARN Cc1cc(C)n(-c2ccc(Cl)c(-c3nn4c(nnc4C(F)(F)Cl)s3)c2)n1 ZINC000061718884 559293211 /nfs/dbraw/zinc/29/32/11/559293211.db2.gz RDPBNMOFROZNPY-UHFFFAOYSA-N 0 0 415.256 4.597 50 0 HJAARN O=C(Nc1ccc(F)c(Cl)c1)C1CCC(Cn2cnc3ccccc3c2=O)CC1 ZINC000005206028 560539462 /nfs/dbraw/zinc/53/94/62/560539462.db2.gz RKQHKHJJNIBENX-UHFFFAOYSA-N 0 0 413.880 4.634 50 0 HJAARN Cc1cccc(N(C(=O)CCOCC(C)C)C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000078875434 560540508 /nfs/dbraw/zinc/54/05/08/560540508.db2.gz KTBMJTHTDMMXBJ-UHFFFAOYSA-N 0 0 418.578 4.790 50 0 HJAARN COc1c(C)cc(CN(C)C(=O)c2cc3ccccc3nc2N2CCCC2)cc1C ZINC000078908667 560540612 /nfs/dbraw/zinc/54/06/12/560540612.db2.gz MIYLRGXMVHDCMP-UHFFFAOYSA-N 0 0 403.526 4.733 50 0 HJAARN Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)NCCc3ccccc3F)c(C)c21 ZINC000005235707 560548003 /nfs/dbraw/zinc/54/80/03/560548003.db2.gz QYHDQPGGIJBLPX-UHFFFAOYSA-N 0 0 421.468 4.813 50 0 HJAARN COc1ccc(-c2c(NC(=O)c3ccco3)sc3ccccc3c2=O)cc1OC ZINC000005244848 560550264 /nfs/dbraw/zinc/55/02/64/560550264.db2.gz HBUULZRKBLYLJB-UHFFFAOYSA-N 0 0 407.447 4.791 50 0 HJAARN 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Cc1csc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3)n2-c2ccccc2)n1 ZINC000009265129 560757696 /nfs/dbraw/zinc/75/76/96/560757696.db2.gz RTHKTNPAOQDTOK-HNNXBMFYSA-N 0 0 421.551 4.819 50 0 HJAARN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2)n1)Nc1cccc(C(F)(F)F)c1 ZINC000009261021 560758233 /nfs/dbraw/zinc/75/82/33/560758233.db2.gz WGAAAJXZBOTCBI-UHFFFAOYSA-N 0 0 412.824 4.875 50 0 HJAARN CC(=O)Nc1cccc(C2=Nc3ncnn3[C@@H](c3ccc(Cl)cc3Cl)C2)c1 ZINC000100834956 560759647 /nfs/dbraw/zinc/75/96/47/560759647.db2.gz NAKBCRUSWPQIJU-GOSISDBHSA-N 0 0 400.269 4.599 50 0 HJAARN CN1c2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2C(=O)N2CCCCC[C@H]12 ZINC000169766063 560766096 /nfs/dbraw/zinc/76/60/96/560766096.db2.gz DPJUHSBHEHYCAU-LJQANCHMSA-N 0 0 401.869 4.524 50 0 HJAARN COc1ccc([C@H]2CC(c3ccccc3)=Nc3nc(NC(=O)c4ccccc4)nn32)cc1 ZINC000101023559 560766726 /nfs/dbraw/zinc/76/67/26/560766726.db2.gz BSLHCQSXMDJENY-JOCHJYFZSA-N 0 0 423.476 4.595 50 0 HJAARN Cc1nc(-c2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)s2)cs1 ZINC000011566419 560772345 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GJQOGERLYQJKDI-MRXNPFEDSA-N 0 0 404.804 4.598 50 0 HJAARN COc1cc(OC)cc([C@@H]2Nc3nonc3N=C3C[C@@H](c4ccccc4)CC(=O)C32)c1 ZINC000102833968 560829832 /nfs/dbraw/zinc/82/98/32/560829832.db2.gz VLUJEIMXDCWPNN-SZNDQCEHSA-N 0 0 418.453 4.716 50 0 HJAARN Cc1ccccc1N1Oc2c(O)n(-c3ccc(Cl)cc3)c(O)c2[C@@H]1c1cccs1 ZINC000102912290 560835302 /nfs/dbraw/zinc/83/53/02/560835302.db2.gz QZCDVQBDBIBHHP-AABGKKOBSA-N 0 0 424.909 4.761 50 0 HJAARN C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CCC[C@H]2c2nc3ccccc3s2)CC1=O ZINC000103344534 560840856 /nfs/dbraw/zinc/84/08/56/560840856.db2.gz NZJSGNCXVPMDHQ-POAQFYNOSA-N 0 0 419.550 4.570 50 0 HJAARN Cc1ccc([C@@H]2C(=O)N([C@@H]3CCC[C@H](C)[C@H]3C)CC(=O)N2CCc2ccccc2)cc1 ZINC000103883412 560844810 /nfs/dbraw/zinc/84/48/10/560844810.db2.gz CVLQDPKUGCICKI-OFPDSVIMSA-N 0 0 418.581 4.774 50 0 HJAARN O=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000014801933 560852052 /nfs/dbraw/zinc/85/20/52/560852052.db2.gz URWIQTAFKVFMSI-UHFFFAOYSA-N 0 0 413.433 4.822 50 0 HJAARN O=C(CCSc1ccc(F)cc1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000004496830 560859622 /nfs/dbraw/zinc/85/96/22/560859622.db2.gz DGZIOVCYPQWVTG-UHFFFAOYSA-N 0 0 402.472 4.799 50 0 HJAARN CC(C)NC(=O)N1C[C@H](C(=O)N[C@H](C)c2ccccc2)CC[C@H]1c1ccc(F)cc1 ZINC000105023173 560860212 /nfs/dbraw/zinc/86/02/12/560860212.db2.gz CGZDEFPKTKSFTL-ZNLUXHQJSA-N 0 0 411.521 4.574 50 0 HJAARN CN(C(=O)c1cnn2c1nc(C1CC1)cc2C(F)(F)F)C12CC3CC(CC(C3)C1)C2 ZINC000006490370 560873015 /nfs/dbraw/zinc/87/30/15/560873015.db2.gz SWOSEBBIGJXZME-UHFFFAOYSA-N 0 0 418.463 4.666 50 0 HJAARN Cc1ncc(CN(C)C(=O)COc2cc3sc(C)nc3c3sccc32)s1 ZINC000046775457 560878137 /nfs/dbraw/zinc/87/81/37/560878137.db2.gz ZGTNGQQCDUMJPX-UHFFFAOYSA-N 0 0 403.554 4.622 50 0 HJAARN Cc1ccc(-c2nc3cccnc3n2CCNC(=O)Nc2ccc(F)cc2F)cc1 ZINC000046913443 560878861 /nfs/dbraw/zinc/87/88/61/560878861.db2.gz PNCDUZVXKHLXLB-UHFFFAOYSA-N 0 0 407.424 4.507 50 0 HJAARN CCn1nc(NC(=O)c2cc(C3CC3)nc3onc(-c4cccc(OC)c4)c32)cc1C ZINC000036619287 560882224 /nfs/dbraw/zinc/88/22/24/560882224.db2.gz BIKKVYULXXTWPZ-UHFFFAOYSA-N 0 0 417.469 4.553 50 0 HJAARN Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)N2CCCC[C@@H]2C)cc1 ZINC000012062336 560888308 /nfs/dbraw/zinc/88/83/08/560888308.db2.gz BMONRRHHTFFMPQ-IBGZPJMESA-N 0 0 423.582 4.917 50 0 HJAARN Cc1cccc(-c2n[nH]c(=S)n2CC(=O)NCC2(c3ccccc3)CCCC2)c1 ZINC000012101383 560889227 /nfs/dbraw/zinc/88/92/27/560889227.db2.gz JRBFFGXLDWNFCJ-UHFFFAOYSA-N 0 0 406.555 4.544 50 0 HJAARN CCn1c2ccc(Cl)cc2s/c1=N/C(=O)c1ccc(Br)s1 ZINC000012180829 560891419 /nfs/dbraw/zinc/89/14/19/560891419.db2.gz YRVWXPMXTDSINY-SAPNQHFASA-N 0 0 401.738 4.941 50 0 HJAARN O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCC[C@@H]1c1ccsc1 ZINC000047580638 560892632 /nfs/dbraw/zinc/89/26/32/560892632.db2.gz RVSGOHXXUCNAAO-LJQANCHMSA-N 0 0 413.930 4.981 50 0 HJAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)cc1 ZINC000033106111 568416640 /nfs/dbraw/zinc/41/66/40/568416640.db2.gz BVJIVCVBYRWJTA-UHFFFAOYSA-N 0 0 405.479 4.594 50 0 HJAARN O=S(=O)(Cc1cc(Cl)cc2c1OCOC2)Cc1c(Cl)cccc1Cl ZINC000045296602 568419026 /nfs/dbraw/zinc/41/90/26/568419026.db2.gz WZDHNXHXAXNFCX-UHFFFAOYSA-N 0 0 407.702 4.628 50 0 HJAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccccc3OC)[C@@H]2c2ccccc2)cc1 ZINC000045941387 568422135 /nfs/dbraw/zinc/42/21/35/568422135.db2.gz OVNOQRRNBQBHDH-HSZRJFAPSA-N 0 0 401.462 4.757 50 0 HJAARN O=C1C(=O)N(Cc2ccccn2)[C@H](c2ccc(Br)cc2)C1c1ccccc1 ZINC000045942635 568422531 /nfs/dbraw/zinc/42/25/31/568422531.db2.gz QSAYSAWBTSPKSW-HXUWFJFHSA-N 0 0 421.294 4.897 50 0 HJAARN CCCn1c(=O)oc2cc(NC(=O)Nc3ccc(Br)cc3F)ccc21 ZINC000046010248 568423311 /nfs/dbraw/zinc/42/33/11/568423311.db2.gz REBGSIXMHCXIRO-UHFFFAOYSA-N 0 0 408.227 4.550 50 0 HJAARN COc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccc(OC)cc4)no3)cc2)cc1 ZINC000046018757 568423875 /nfs/dbraw/zinc/42/38/75/568423875.db2.gz PYBLISKZLZMNSO-UHFFFAOYSA-N 0 0 401.422 4.673 50 0 HJAARN COc1ccc(Nc2c3c(nc4nc(Cc5ccc(Cl)cc5)nn42)CCC3)cc1 ZINC000046022876 568424270 /nfs/dbraw/zinc/42/42/70/568424270.db2.gz LBSIYARJFKOFNG-UHFFFAOYSA-N 0 0 405.889 4.609 50 0 HJAARN O=C(Cc1cccc2ccccc21)N1CCC[C@H](C(=O)NCc2ccccc2Cl)C1 ZINC000046045022 568425041 /nfs/dbraw/zinc/42/50/41/568425041.db2.gz UWPMTGHQSMKGDJ-NRFANRHFSA-N 0 0 420.940 4.591 50 0 HJAARN CCS(=O)(=O)N(C)c1ccc2sc(C(=O)Nc3ccc(Cl)cc3C)cc2c1 ZINC000046058372 568426501 /nfs/dbraw/zinc/42/65/01/568426501.db2.gz YREJSNVWEQGAKL-UHFFFAOYSA-N 0 0 422.959 4.901 50 0 HJAARN Cc1ccc2c(c1)Oc1ccc(S(=O)(=O)N(C)c3ccc(C)c(C)c3)cc1C(=O)N2 ZINC000046077586 568427328 /nfs/dbraw/zinc/42/73/28/568427328.db2.gz ZWHQONLIQYIPDX-UHFFFAOYSA-N 0 0 422.506 4.795 50 0 HJAARN COc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(C)cc2)cc1 ZINC000046078577 568427526 /nfs/dbraw/zinc/42/75/26/568427526.db2.gz LLWCIBRAXKPOFE-UHFFFAOYSA-N 0 0 400.478 4.849 50 0 HJAARN COc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)c1 ZINC000046079087 568427624 /nfs/dbraw/zinc/42/76/24/568427624.db2.gz JOUATNWRRKILNJ-UHFFFAOYSA-N 0 0 404.441 4.680 50 0 HJAARN CCOC(=O)c1ccc2nc(NC(=O)c3c(C)oc4ccc(OC)cc43)sc2c1 ZINC000046086658 568428106 /nfs/dbraw/zinc/42/81/06/568428106.db2.gz OEJNAVUFKJPFJR-UHFFFAOYSA-N 0 0 410.451 4.789 50 0 HJAARN Cc1cc(C)c(NC(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)c(C)c1 ZINC000051357412 568430885 /nfs/dbraw/zinc/43/08/85/568430885.db2.gz YQDVWSHQSCVIQS-UHFFFAOYSA-N 0 0 409.555 4.709 50 0 HJAARN COc1ccc(NC(=O)N[C@@H](c2cccs2)C2CCCC2)cc1N1CCCC1=O ZINC000048234601 568432579 /nfs/dbraw/zinc/43/25/79/568432579.db2.gz WNFJOTNZJNUNFD-OAQYLSRUSA-N 0 0 413.543 4.937 50 0 HJAARN COc1cccc(Oc2ccc(CNC(=O)c3cc4ccc(C)cc4nc3C)cn2)c1 ZINC000048287333 568434552 /nfs/dbraw/zinc/43/45/52/568434552.db2.gz CENUJJQIONVUQG-UHFFFAOYSA-N 0 0 413.477 4.978 50 0 HJAARN CCCCc1nc(CN(C)CC(=O)Nc2ccc(Br)cc2C)cs1 ZINC000048290632 568435238 /nfs/dbraw/zinc/43/52/38/568435238.db2.gz NCLMOALMADHVIL-UHFFFAOYSA-N 0 0 410.381 4.627 50 0 HJAARN Fc1ccc(OCc2noc(CN3Cc4ccccc4[C@H](c4ccccc4)C3)n2)cc1 ZINC000048280302 568435891 /nfs/dbraw/zinc/43/58/91/568435891.db2.gz ONCJWFFNVVVOIA-QHCPKHFHSA-N 0 0 415.468 4.935 50 0 HJAARN Fc1ccc(OCc2noc(CN3Cc4ccccc4[C@@H](c4ccccc4)C3)n2)cc1 ZINC000048280305 568435937 /nfs/dbraw/zinc/43/59/37/568435937.db2.gz ONCJWFFNVVVOIA-HSZRJFAPSA-N 0 0 415.468 4.935 50 0 HJAARN O=C(CCCc1ccc(Cl)c(Cl)c1)NCc1ccc(Cn2ccnc2)cc1 ZINC000048299359 568437137 /nfs/dbraw/zinc/43/71/37/568437137.db2.gz LFXIWRKEJOBQEA-UHFFFAOYSA-N 0 0 402.325 4.877 50 0 HJAARN O=C(Nc1cccc(OC(F)(F)F)c1)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364544 568438241 /nfs/dbraw/zinc/43/82/41/568438241.db2.gz SVRUDYKZDHEBLN-QGZVFWFLSA-N 0 0 414.383 4.744 50 0 HJAARN CCn1c(S[C@@H](C(=O)N(C)c2ccccc2)C(C)C)nnc1-c1ccccc1OC ZINC000048324331 568438247 /nfs/dbraw/zinc/43/82/47/568438247.db2.gz VQZGDWYFKSBYCT-HXUWFJFHSA-N 0 0 424.570 4.753 50 0 HJAARN Cc1nc(-c2cccc(NC(=O)N(Cc3cccnc3)C[C@@H]3CCCO3)c2)cs1 ZINC000048325803 568438860 /nfs/dbraw/zinc/43/88/60/568438860.db2.gz NDEOCEOUBKLGFT-FQEVSTJZSA-N 0 0 408.527 4.727 50 0 HJAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CCOc1cccc(Cl)c1Cl ZINC000048332863 568439314 /nfs/dbraw/zinc/43/93/14/568439314.db2.gz IGUGUTNYMMNVMU-UHFFFAOYSA-N 0 0 418.324 4.666 50 0 HJAARN O=C(c1sccc1Br)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000048333601 568439624 /nfs/dbraw/zinc/43/96/24/568439624.db2.gz FLDOGRGVELRWKM-CQSZACIVSA-N 0 0 408.317 4.649 50 0 HJAARN Cc1ccccc1-c1cc(NC(=O)[C@@H](C)OCC(F)(F)F)n(Cc2ccccc2)n1 ZINC000048343337 568440661 /nfs/dbraw/zinc/44/06/61/568440661.db2.gz RMQNEEJYCXFPQJ-MRXNPFEDSA-N 0 0 417.431 4.813 50 0 HJAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000048374753 568442458 /nfs/dbraw/zinc/44/24/58/568442458.db2.gz KDDHCYNAXCSMEL-LIRRHRJNSA-N 0 0 413.880 4.575 50 0 HJAARN O=C(Nc1ccc(Cl)cc1)c1nnn(Cc2ccc(Cl)cc2)c1-n1cccc1 ZINC000049002900 568446170 /nfs/dbraw/zinc/44/61/70/568446170.db2.gz ZTMGQUREMFEMTA-UHFFFAOYSA-N 0 0 412.280 4.676 50 0 HJAARN CCOc1ccc(NC(=O)c2nnn(-c3ccc(C)c(C)c3)c2-c2cccnc2)cc1 ZINC000049003589 568446414 /nfs/dbraw/zinc/44/64/14/568446414.db2.gz JJANXWUQJRUFSB-UHFFFAOYSA-N 0 0 413.481 4.597 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)CSc1cc(-c2nc(C3CC3)no2)ccn1 ZINC000049405454 568448686 /nfs/dbraw/zinc/44/86/86/568448686.db2.gz AQSUKLZUMBNQEK-UHFFFAOYSA-N 0 0 400.891 4.702 50 0 HJAARN O=C(CSc1ccc(-c2nc(-c3ccccc3)no2)cn1)Nc1ccc(F)cc1 ZINC000049405483 568448706 /nfs/dbraw/zinc/44/87/06/568448706.db2.gz XDBXCSOKLYEFQU-UHFFFAOYSA-N 0 0 406.442 4.669 50 0 HJAARN COCc1nn2c(c1-c1ccccc1)NC(=O)C[C@@H]2C(=O)Nc1ccc(Cl)cc1 ZINC000049547718 568451622 /nfs/dbraw/zinc/45/16/22/568451622.db2.gz VUEWTTXIFSCBMU-QGZVFWFLSA-N 0 0 410.861 4.521 50 0 HJAARN O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2)c1ccc(-n2cccc2)cc1 ZINC000049524314 568452443 /nfs/dbraw/zinc/45/24/43/568452443.db2.gz SCAUKRAVFIXLIY-OAQYLSRUSA-N 0 0 415.493 4.507 50 0 HJAARN C[C@H]1c2ccsc2CCN1C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000049581379 568452884 /nfs/dbraw/zinc/45/28/84/568452884.db2.gz AFJYENDFSFYNKZ-PKOBYXMFSA-N 0 0 418.562 4.899 50 0 HJAARN COC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000095837066 568453584 /nfs/dbraw/zinc/45/35/84/568453584.db2.gz BWDRDVHYVJQWBO-JRJWGDGBSA-N 0 0 406.607 4.566 50 0 HJAARN CCn1c(-c2cc(NC(=O)CCc3cccc(OC)c3)n[nH]2)cc2c1cccc2OC ZINC000085824799 568455022 /nfs/dbraw/zinc/45/50/22/568455022.db2.gz UJLRSAQBPQFUDR-UHFFFAOYSA-N 0 0 418.497 4.640 50 0 HJAARN COC(=O)c1c(C)oc2cc(Br)c(OCC(=O)c3ccc(F)cc3)cc21 ZINC000000623979 568455742 /nfs/dbraw/zinc/45/57/42/568455742.db2.gz REFBBTVJOHESOS-UHFFFAOYSA-N 0 0 421.218 4.691 50 0 HJAARN COc1cc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)cc(OC)c1OC ZINC000000629557 568456178 /nfs/dbraw/zinc/45/61/78/568456178.db2.gz DRVIKYTZILDXIS-UHFFFAOYSA-N 0 0 417.465 4.588 50 0 HJAARN Cc1cc(C)c(NC(=O)COC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c(C)c1 ZINC000012261797 568456949 /nfs/dbraw/zinc/45/69/49/568456949.db2.gz WRGQQFAJIKWQLC-UHFFFAOYSA-N 0 0 410.445 4.520 50 0 HJAARN COc1ccc(C(=O)n2nc(-c3ccccc3)nc2NCc2ccccc2Cl)cc1 ZINC000006732751 568458742 /nfs/dbraw/zinc/45/87/42/568458742.db2.gz SRDOPGIMBNVQFT-UHFFFAOYSA-N 0 0 418.884 4.908 50 0 HJAARN COc1ccc(Cn2c3ccccc3c(C[NH2+]Cc3ccccc3F)c2C(=O)[O-])cc1 ZINC000006794077 568459438 /nfs/dbraw/zinc/45/94/38/568459438.db2.gz LQFUBTKKAZKSGI-UHFFFAOYSA-N 0 0 418.468 4.825 50 0 HJAARN O=C(NCc1cccs1)c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000000674413 568461045 /nfs/dbraw/zinc/46/10/45/568461045.db2.gz YLYOLGJBIXUJEP-OCCSQVGLSA-N 0 0 412.462 4.596 50 0 HJAARN C[C@H](Sc1nc2ccsc2c(=O)n1-c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000024770474 568462144 /nfs/dbraw/zinc/46/21/44/568462144.db2.gz KFEKCXNWYCQPGV-LBPRGKRZSA-N 0 0 412.540 4.981 50 0 HJAARN O=C(Nc1ccc(F)cc1F)[C@@H]1CC=CC[C@@H]1C(=O)OCC(Cl)=C(Cl)Cl ZINC000000706621 568463539 /nfs/dbraw/zinc/46/35/39/568463539.db2.gz RGVBSWONSNTLDM-MNOVXSKESA-N 0 0 424.658 4.914 50 0 HJAARN COc1cc(-c2nc3scc(-c4ccc(C)cc4)c3c(=O)o2)cc(OC)c1OC ZINC000000709055 568463997 /nfs/dbraw/zinc/46/39/97/568463997.db2.gz YGSODGGZVGETCV-UHFFFAOYSA-N 0 0 409.463 4.918 50 0 HJAARN COc1ccc2cc(C(=O)[C@H]3CCCN(C(=O)c4ccnc(Cl)c4)C3)ccc2c1 ZINC000012315377 568466838 /nfs/dbraw/zinc/46/68/38/568466838.db2.gz DAVBOXCOOAJWFT-IBGZPJMESA-N 0 0 408.885 4.632 50 0 HJAARN NC(=S)Nc1cc(-c2ccc(Br)cc2)nn1-c1ccc(Cl)cc1 ZINC000215855135 568466865 /nfs/dbraw/zinc/46/68/65/568466865.db2.gz DCLYCEYBQDSYTO-UHFFFAOYSA-N 0 0 407.724 4.611 50 0 HJAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000007329471 568479012 /nfs/dbraw/zinc/47/90/12/568479012.db2.gz AVCVUOYBLQUEQX-MJGOQNOKSA-N 0 0 422.554 4.801 50 0 HJAARN CC(C)(C)OC(=O)NC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000218900213 568485065 /nfs/dbraw/zinc/48/50/65/568485065.db2.gz IWWMERGHDNCVDX-UHFFFAOYSA-N 0 0 422.525 4.925 50 0 HJAARN O=C(c1cc2ccccc2o1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000024918400 568487065 /nfs/dbraw/zinc/48/70/65/568487065.db2.gz ZXEABKJISKPBAP-UHFFFAOYSA-N 0 0 421.497 4.653 50 0 HJAARN CC(C)[C@H](NC(=O)/C=C/c1ccc(Br)o1)c1ccc2c(c1)OCCCO2 ZINC000007981205 568487769 /nfs/dbraw/zinc/48/77/69/568487769.db2.gz CWUKQLVUAQDLSL-ZGBFETHSSA-N 0 0 420.303 4.730 50 0 HJAARN O=C(c1cnn(Cc2ccccc2)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008093849 568490564 /nfs/dbraw/zinc/49/05/64/568490564.db2.gz SFBPRXGJHUHOAI-GOSISDBHSA-N 0 0 402.523 4.561 50 0 HJAARN CCn1c2ccccc2c2cc(NC(=O)c3ccccc3S(=O)(=O)CC)ccc21 ZINC000008272261 568495732 /nfs/dbraw/zinc/49/57/32/568495732.db2.gz VQSMLRUVQIPAQZ-UHFFFAOYSA-N 0 0 406.507 4.860 50 0 HJAARN Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)n1 ZINC000000818264 568496555 /nfs/dbraw/zinc/49/65/55/568496555.db2.gz MMUYKMJAZCLRBB-UHFFFAOYSA-N 0 0 404.948 4.525 50 0 aggregator HJAARN C[C@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccccc1 ZINC000000825714 568498667 /nfs/dbraw/zinc/49/86/67/568498667.db2.gz WJJLJYVRHMKFPI-AVRWGWEMSA-N 0 0 416.546 4.952 50 0 HJAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000031485469 568503825 /nfs/dbraw/zinc/50/38/25/568503825.db2.gz NCSVWVDRCXBYPC-IBGZPJMESA-N 0 0 415.946 4.772 50 0 HJAARN COc1cc(-c2noc(-c3ccccc3C)n2)ccc1OCC(=O)NC1CCCCC1 ZINC000033013122 568510429 /nfs/dbraw/zinc/51/04/29/568510429.db2.gz TXNKVYRKAVVCHF-UHFFFAOYSA-N 0 0 421.497 4.548 50 0 HJAARN CCOc1ccc(-c2cc(NC(=O)c3noc4c3COc3ccccc3-4)on2)cc1 ZINC000033028846 568510589 /nfs/dbraw/zinc/51/05/89/568510589.db2.gz GBHGCCIQPWIYAT-UHFFFAOYSA-N 0 0 403.394 4.540 50 0 HJAARN Cc1ccc(-n2nc(S[C@@H](C)C(=O)Nc3cccc(C)c3C)ccc2=O)cc1C ZINC000033128073 568511236 /nfs/dbraw/zinc/51/12/36/568511236.db2.gz JDAOCFCZTCZDBI-SFHVURJKSA-N 0 0 407.539 4.585 50 0 HJAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cccc(C)c3)sc2c1 ZINC000033271666 568512294 /nfs/dbraw/zinc/51/22/94/568512294.db2.gz VHUHCRYIWCSEQV-QGZVFWFLSA-N 0 0 418.522 4.972 50 0 HJAARN Cc1oc(-c2cccc(C)c2)nc1Cn1nnc(-c2nc(-c3ccccc3)no2)c1C ZINC000033296971 568513172 /nfs/dbraw/zinc/51/31/72/568513172.db2.gz OWUPGGARNUAUIA-UHFFFAOYSA-N 0 0 412.453 4.624 50 0 HJAARN CC(C)[C@@H](NC(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1)c1nc2ccccc2[nH]1 ZINC000223220288 568541362 /nfs/dbraw/zinc/54/13/62/568541362.db2.gz KKBHLTLPGRRCIA-MRXNPFEDSA-N 0 0 401.392 4.585 50 0 HJAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2N2CCC(C)CC2)cc1 ZINC000020069220 568587109 /nfs/dbraw/zinc/58/71/09/568587109.db2.gz WYWBECPOZUPSEW-UHFFFAOYSA-N 0 0 414.502 4.858 50 0 HJAARN Cc1ccccc1Cn1c2ccsc2c(=O)n(-c2cccc(C(F)(F)F)c2)c1=O ZINC000020138962 568590326 /nfs/dbraw/zinc/59/03/26/568590326.db2.gz BEPUTEXGYMYQOU-UHFFFAOYSA-N 0 0 416.424 4.589 50 0 HJAARN CC(C)(C)SC[C@@H]1CCCCN1C(=O)[C@H]1CCCN1c1nc2ccccc2o1 ZINC000390829058 568591782 /nfs/dbraw/zinc/59/17/82/568591782.db2.gz CONGLJXIRUOSQB-FUHWJXTLSA-N 0 0 401.576 4.709 50 0 HJAARN COc1ccc2cc3cc(C(=O)N4CCN(c5ccc(F)cc5)CC4)sc3nc2c1 ZINC000020178758 568592948 /nfs/dbraw/zinc/59/29/48/568592948.db2.gz DULIFAKVOXZHCU-UHFFFAOYSA-N 0 0 421.497 4.560 50 0 HJAARN COc1cccc(-c2nn(C)c3sc(C(=O)Nc4ccc(OC)c(OC)c4)cc23)c1 ZINC000020233307 568595367 /nfs/dbraw/zinc/59/53/67/568595367.db2.gz IBBKKTKOVGDLQU-UHFFFAOYSA-N 0 0 423.494 4.580 50 0 HJAARN COc1ccc(/N=c2\oc3cc(OC)ccc3cc2S(=O)(=O)c2ccccc2)cc1 ZINC000020285668 568596891 /nfs/dbraw/zinc/59/68/91/568596891.db2.gz CSHWXOAEDMFPDX-VHXPQNKSSA-N 0 0 421.474 4.515 50 0 HJAARN Clc1ccc(-c2noc3ncnc(N(Cc4ccco4)C[C@H]4CCCO4)c32)cc1 ZINC000020330034 568599146 /nfs/dbraw/zinc/59/91/46/568599146.db2.gz HTQXGPVVDDDYSY-QGZVFWFLSA-N 0 0 410.861 4.717 50 0 HJAARN C[C@@H]1CCC[C@@H](n2c(SCc3cccc(C(N)=O)c3)nc3ccccc3c2=O)[C@@H]1C ZINC000095349920 568600754 /nfs/dbraw/zinc/60/07/54/568600754.db2.gz UBPMOCMOHRLGNE-WHSLLNHNSA-N 0 0 421.566 4.785 50 0 HJAARN C[C@]1(C(=O)NC2CCCCCCC2)Cc2ccccc2C(=O)N1CCc1ccccc1 ZINC000020387107 568603597 /nfs/dbraw/zinc/60/35/97/568603597.db2.gz JPAWGSFERJPLHH-HHHXNRCGSA-N 0 0 418.581 4.915 50 0 HJAARN CC(=O)c1cccc(NC(=O)C(=O)N[C@@H](CC(C)C)c2ccccc2OCC(C)C)c1 ZINC000095405973 568606123 /nfs/dbraw/zinc/60/61/23/568606123.db2.gz ZLHDWNBAIMFAIT-QFIPXVFZSA-N 0 0 424.541 4.766 50 0 HJAARN COc1ccc(C(=O)n2nc(-c3ccco3)nc2NCc2ccc(Cl)cc2)cc1 ZINC000020444287 568608057 /nfs/dbraw/zinc/60/80/57/568608057.db2.gz VXNZSSUHGGSQTH-UHFFFAOYSA-N 0 0 408.845 4.501 50 0 HJAARN CC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)nc1Nc1cnc2ccccc2c1 ZINC000020446781 568608435 /nfs/dbraw/zinc/60/84/35/568608435.db2.gz UQFCEDBFHNTUQU-UHFFFAOYSA-N 0 0 413.359 4.660 50 0 HJAARN CC(C)(C)c1nc(CC(=O)NCCc2csc(-c3ccc(F)cc3)n2)cs1 ZINC000095444713 568611457 /nfs/dbraw/zinc/61/14/57/568611457.db2.gz PHSULAUMFVEGQH-UHFFFAOYSA-N 0 0 403.548 4.605 50 0 HJAARN O=C(Oc1ccccc1)N(CCCN1CCOCC1)Cc1cccc2ccccc21 ZINC000020478982 568612975 /nfs/dbraw/zinc/61/29/75/568612975.db2.gz OWYQXRRWUGRKTK-UHFFFAOYSA-N 0 0 404.510 4.563 50 0 HJAARN COc1cccc(OC(=O)NC2(C(F)(F)F)Oc3cc(Cl)c(Cl)cc3O2)c1 ZINC000000841944 568617619 /nfs/dbraw/zinc/61/76/19/568617619.db2.gz DIGUNNROWSUNJM-UHFFFAOYSA-N 0 0 424.158 4.778 50 0 HJAARN O=C(NCC1CCC(NC(=O)c2coc3ccccc23)CC1)c1coc2ccccc12 ZINC000095456312 568617697 /nfs/dbraw/zinc/61/76/97/568617697.db2.gz JHZUFVDKOZLGJW-UHFFFAOYSA-N 0 0 416.477 4.898 50 0 HJAARN Cc1ccc(/C=C/C(=O)Nc2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)s1 ZINC000040106678 568617684 /nfs/dbraw/zinc/61/76/84/568617684.db2.gz IUIMRIWKWXQHQY-OUKQBFOZSA-N 0 0 412.536 4.818 50 0 HJAARN O=C(COc1cc(Cl)cnc1Br)Nc1cccc(C(F)(F)F)c1 ZINC000095459949 568620038 /nfs/dbraw/zinc/62/00/38/568620038.db2.gz HTXOVTRYSLRZAD-UHFFFAOYSA-N 0 0 409.589 4.534 50 0 HJAARN Cc1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)c2cc3occc3n21 ZINC000020510779 568621282 /nfs/dbraw/zinc/62/12/82/568621282.db2.gz DTKCZXMNCKNJDL-UHFFFAOYSA-N 0 0 406.389 4.534 50 0 HJAARN Cc1nc2ccc(C(=O)Nc3ccccc3-c3nnc(-c4ccccc4)[nH]3)cc2nc1C ZINC000040152020 568625356 /nfs/dbraw/zinc/62/53/56/568625356.db2.gz ADJQHLXQCBOCAK-UHFFFAOYSA-N 0 0 420.476 4.951 50 0 HJAARN Cc1cccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3)c3ccccc32)c1 ZINC000020532918 568628614 /nfs/dbraw/zinc/62/86/14/568628614.db2.gz WKOFQWRUHLULCA-UHFFFAOYSA-N 0 0 418.518 4.562 50 0 HJAARN Cc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Sc3ccc(Cl)cc3)n2)c1 ZINC000095481643 568633670 /nfs/dbraw/zinc/63/36/70/568633670.db2.gz URUPRDYDVPAPQT-CQSZACIVSA-N 0 0 401.919 4.838 50 0 HJAARN Cc1sc2ncc(C(=O)Nc3ccccc3Sc3ccccc3)c(=O)n2c1C ZINC000020767653 568643572 /nfs/dbraw/zinc/64/35/72/568643572.db2.gz COILVNFXEVBWSJ-UHFFFAOYSA-N 0 0 407.520 4.776 50 0 HJAARN CCn1c(C)c(C2=CCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)c2ccccc21 ZINC000020857639 568645824 /nfs/dbraw/zinc/64/58/24/568645824.db2.gz PSLBUHBDTGHUAQ-UHFFFAOYSA-N 0 0 412.530 4.895 50 0 HJAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1ccccc1F)SCC(=O)N2 ZINC000020891285 568647892 /nfs/dbraw/zinc/64/78/92/568647892.db2.gz ZMGUFMRNZQOVGG-SFHVURJKSA-N 0 0 410.499 4.704 50 0 HJAARN COc1ccc(-n2nc(C)c3c2NC(=O)CS[C@H]3c2ccccc2OC(C)C)cc1 ZINC000020892999 568648383 /nfs/dbraw/zinc/64/83/83/568648383.db2.gz DCFWRRSIWPTTCZ-QFIPXVFZSA-N 0 0 423.538 4.751 50 0 HJAARN Cc1c(C(=O)NC[C@@H]2CCCO2)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000020900697 568649877 /nfs/dbraw/zinc/64/98/77/568649877.db2.gz HULOXJFWJOBIHD-INIZCTEOSA-N 0 0 411.498 4.708 50 0 biogenic HJAARN Cc1ccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCC2)cc1C ZINC000020903054 568650350 /nfs/dbraw/zinc/65/03/50/568650350.db2.gz MGSVLSOZQRHOHO-AREMUKBSSA-N 0 0 415.537 4.736 50 0 HJAARN CCOc1ccc(CCNC(=O)c2ncoc2-c2cccc(Cl)c2)cc1OCC ZINC000021044774 568660001 /nfs/dbraw/zinc/66/00/01/568660001.db2.gz OBIJDPZTBYTZJR-UHFFFAOYSA-N 0 0 414.889 4.765 50 0 HJAARN CC(=O)N1N=C(c2ccc(C)o2)O[C@@H]1c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000021092787 568664462 /nfs/dbraw/zinc/66/44/62/568664462.db2.gz FYOCLFBOTKRUDW-JOCHJYFZSA-N 0 0 423.856 4.733 50 0 HJAARN COC(=O)c1sccc1NC(=O)c1sc2nc(C(F)(F)F)ccc2c1C ZINC000095948736 568665619 /nfs/dbraw/zinc/66/56/19/568665619.db2.gz SAVWDLJBJCOKNG-UHFFFAOYSA-N 0 0 400.403 4.724 50 0 HJAARN COc1ccccc1NC(=O)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 ZINC000021101214 568666583 /nfs/dbraw/zinc/66/65/83/568666583.db2.gz NIXXUSHBOZUUOE-UHFFFAOYSA-N 0 0 406.461 4.574 50 0 biogenic HJAARN CCc1ccc(NC(=O)N2CCN(c3nc4cc(F)ccc4n4cccc34)CC2)cc1 ZINC000021103973 568666703 /nfs/dbraw/zinc/66/67/03/568666703.db2.gz XRYLEAXIYZJQPG-UHFFFAOYSA-N 0 0 417.488 4.543 50 0 HJAARN Cn1ccc2c(NC(=O)CSCc3ccc(Cl)cc3Cl)cccc2c1=O ZINC000225713684 568666858 /nfs/dbraw/zinc/66/68/58/568666858.db2.gz QHALYNVKGLJAGY-UHFFFAOYSA-N 0 0 407.322 4.717 50 0 HJAARN Cc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2cccs2)c(Br)c1 ZINC000021106022 568667021 /nfs/dbraw/zinc/66/70/21/568667021.db2.gz UOBHYPOPORBQKB-SFHVURJKSA-N 0 0 414.328 4.981 50 0 HJAARN Cn1c(Cl)c(Cl)cc1C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000095954716 568669032 /nfs/dbraw/zinc/66/90/32/568669032.db2.gz VBFAKZGRGKERHA-NSHDSACASA-N 0 0 403.693 4.795 50 0 HJAARN CCOc1cc2c(cc1OCC)[C@H]1CC(=O)N(c3ccc(Cl)cc3)C(=O)N1CC2 ZINC000021151241 568672301 /nfs/dbraw/zinc/67/23/01/568672301.db2.gz ZBWCNVOHNOTNPK-GOSISDBHSA-N 0 0 414.889 4.594 50 0 HJAARN O=C(CSc1ncnc2c1sc1cccc(F)c12)NCc1cccc(F)c1 ZINC000021153503 568672775 /nfs/dbraw/zinc/67/27/75/568672775.db2.gz HGKPWGVIRZPFDQ-UHFFFAOYSA-N 0 0 401.463 4.531 50 0 HJAARN O=C(CSc1ncnc2c1sc1cccc(F)c12)NCCCc1ccccc1 ZINC000021153304 568672874 /nfs/dbraw/zinc/67/28/74/568672874.db2.gz SMUWEBMNFZBOED-UHFFFAOYSA-N 0 0 411.527 4.825 50 0 HJAARN Cc1ccc(C)c(NC(=O)Nc2cccc(OCc3cc(=O)n4ccccc4n3)c2)c1 ZINC000021156647 568673831 /nfs/dbraw/zinc/67/38/31/568673831.db2.gz MEPLJXAXTYNZJG-UHFFFAOYSA-N 0 0 414.465 4.534 50 0 HJAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2 ZINC000021166919 568674954 /nfs/dbraw/zinc/67/49/54/568674954.db2.gz DKWYGVSTCRNWAH-ABAIWWIYSA-N 0 0 409.960 4.664 50 0 HJAARN CCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1 ZINC000021177337 568677486 /nfs/dbraw/zinc/67/74/86/568677486.db2.gz ZURUDWAHDHQMAP-MRXNPFEDSA-N 0 0 404.495 4.663 50 0 HJAARN CCOC(=O)CCN(C(=O)Cc1csc(Cc2cccc(Cl)c2)n1)C(C)(C)C ZINC000095997586 568679365 /nfs/dbraw/zinc/67/93/65/568679365.db2.gz KSIKNSQZZCEQRW-UHFFFAOYSA-N 0 0 422.978 4.510 50 0 HJAARN O[C@@]12CCCC[C@@H]1C1(CCCCC1)NC(=S)N2Cc1ccccc1C(F)(F)F ZINC000012389152 568686833 /nfs/dbraw/zinc/68/68/33/568686833.db2.gz KYCXZQJJARAALM-XLIONFOSSA-N 0 0 412.521 4.977 50 0 HJAARN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H]1Cc2ccccc2S1 ZINC000021308415 568687164 /nfs/dbraw/zinc/68/71/64/568687164.db2.gz FLHQTPRKOHSHHH-SFHVURJKSA-N 0 0 423.365 4.888 50 0 HJAARN O=C(c1cccc2ccccc21)N1CCC(Oc2ncccc2Br)CC1 ZINC000096096948 568689361 /nfs/dbraw/zinc/68/93/61/568689361.db2.gz AKFRSHSNOPXWLD-UHFFFAOYSA-N 0 0 411.299 4.681 50 0 HJAARN COc1ccccc1CNC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(C)cc1 ZINC000021361486 568690061 /nfs/dbraw/zinc/69/00/61/568690061.db2.gz QHHNJNZFDCBOIQ-UHFFFAOYSA-N 0 0 413.477 4.667 50 0 HJAARN COc1cccc(C(=O)c2coc3ccc(OCC(=O)Nc4ccccc4F)cc23)c1 ZINC000096101419 568691310 /nfs/dbraw/zinc/69/13/10/568691310.db2.gz LEMRBIBCBFTUEZ-UHFFFAOYSA-N 0 0 419.408 4.829 50 0 HJAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2cccc(Cl)c2F)S1 ZINC000096117081 568696372 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HJAARN Cc1cccc2c1ncn(CCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl)c2=O ZINC000031337059 568924487 /nfs/dbraw/zinc/92/44/87/568924487.db2.gz HJYVVKZAELLHHI-CQSZACIVSA-N 0 0 418.324 4.621 50 0 HJAARN CCOC(=O)c1nnc(-c2cccc(C(F)(F)F)c2)nc1Oc1ccc(OC)cc1 ZINC000001392136 568924695 /nfs/dbraw/zinc/92/46/95/568924695.db2.gz LACMJGOQXHNACU-UHFFFAOYSA-N 0 0 419.359 4.535 50 0 HJAARN Cc1cc(-c2ccccc2)nc(-n2cc(C(=O)c3ccc(Cl)cc3Cl)nn2)n1 ZINC000001393566 568925056 /nfs/dbraw/zinc/92/50/56/568925056.db2.gz XLWABBDUQIBVQC-UHFFFAOYSA-N 0 0 410.264 4.571 50 0 HJAARN COc1ccc(-c2nc(CS[C@@H](C)C(=O)NCc3cccs3)cs2)cc1 ZINC000031413631 568925770 /nfs/dbraw/zinc/92/57/70/568925770.db2.gz DGTBMCZLVFFPRC-ZDUSSCGKSA-N 0 0 404.582 4.818 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Cl)c(=O)n(Cc2ccccc2)c1 ZINC000001400070 568926100 /nfs/dbraw/zinc/92/61/00/568926100.db2.gz YTUOBGYRSLJINN-UHFFFAOYSA-N 0 0 406.791 4.821 50 0 HJAARN O=S(=O)(Nc1cccc(-c2cn3ccccc3n2)c1)c1cccc(C(F)(F)F)c1 ZINC000001395488 568926216 /nfs/dbraw/zinc/92/62/16/568926216.db2.gz YDSUVQIHQGJHLB-UHFFFAOYSA-N 0 0 417.412 4.821 50 0 HJAARN Cc1ccc(OCc2ccc(C(=O)N(C)CC(=O)Nc3ccccc3Cl)o2)cc1 ZINC000031451800 568926562 /nfs/dbraw/zinc/92/65/62/568926562.db2.gz JQIMZERLUGTBPX-UHFFFAOYSA-N 0 0 412.873 4.531 50 0 HJAARN Cc1cc(C)n(Cc2ccc(Cl)c(Cl)c2)c(=O)c1S(=O)(=O)c1ccccc1 ZINC000001401305 568927225 /nfs/dbraw/zinc/92/72/25/568927225.db2.gz HELKTKKWHUHRBQ-UHFFFAOYSA-N 0 0 422.333 4.653 50 0 HJAARN Cc1ccc([C@@](O)(CCNC(=O)[C@H](C)Sc2ccc(Cl)cc2)C(F)(F)F)o1 ZINC000031570844 568928333 /nfs/dbraw/zinc/92/83/33/568928333.db2.gz YHUOYXWXVFWCDG-SJCJKPOMSA-N 0 0 421.868 4.678 50 0 HJAARN Cc1ccc(-c2nc(CN3C(=O)N[C@@](C)(c4cccc5ccccc54)C3=O)co2)cc1 ZINC000031632944 568928817 /nfs/dbraw/zinc/92/88/17/568928817.db2.gz QQVRDVILRCTNOJ-VWLOTQADSA-N 0 0 411.461 4.770 50 0 HJAARN COc1ccc(CNC(=O)Cc2c(C)nn(-c3ccc(Cl)c(Cl)c3)c2C)cc1 ZINC000031732688 568929830 /nfs/dbraw/zinc/92/98/30/568929830.db2.gz KWKUGJGTRVEDTA-UHFFFAOYSA-N 0 0 418.324 4.663 50 0 HJAARN CCN(CC)c1ccc(-c2nnc(S[C@H](C)c3nc(C(C)C)no3)n2C)cc1 ZINC000031750105 568930211 /nfs/dbraw/zinc/93/02/11/568930211.db2.gz BVEDOGPGPFTSNQ-CQSZACIVSA-N 0 0 400.552 4.688 50 0 HJAARN CC1=C[C@@H](C)[C@]2(COC(=O)NC(C)C)CO[C@H](c3ccc(N(C)C)cc3)[C@H]1[C@H]2C ZINC000003999158 568931953 /nfs/dbraw/zinc/93/19/53/568931953.db2.gz MATUOSYEEAMWHP-RUGFMQOOSA-N 0 0 400.563 4.793 50 0 biogenic HJAARN Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cccc(Br)c1 ZINC000004033089 568934845 /nfs/dbraw/zinc/93/48/45/568934845.db2.gz GVIVQGZCOIDVOQ-UHFFFAOYSA-N 0 0 407.271 4.720 50 0 HJAARN Cc1c2cc(F)ccc2sc1C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)nc1 ZINC000084067786 568934846 /nfs/dbraw/zinc/93/48/46/568934846.db2.gz DJBRMPRRQPJNHU-UHFFFAOYSA-N 0 0 421.453 4.887 50 0 HJAARN Cc1c(C(=O)Oc2ccc(-c3ccccc3)cc2Cl)sc2ncn(C)c(=O)c12 ZINC000084067677 568934863 /nfs/dbraw/zinc/93/48/63/568934863.db2.gz DXFWHXJDLMJXAQ-UHFFFAOYSA-N 0 0 410.882 4.843 50 0 HJAARN CCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000004073928 568938110 /nfs/dbraw/zinc/93/81/10/568938110.db2.gz ZFVNCIMEWULGEX-WHXMQGSISA-N 0 0 420.634 4.956 50 0 biogenic HJAARN Cc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc(C)c1OC(F)F ZINC000015504081 568940787 /nfs/dbraw/zinc/94/07/87/568940787.db2.gz VITBPLWWCAQDRO-OXQOHEQNSA-N 0 0 402.441 4.650 50 0 HJAARN CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(OCC)c(Cl)c2)c1 ZINC000004089604 568941651 /nfs/dbraw/zinc/94/16/51/568941651.db2.gz WHQXSZXMYCMECV-UHFFFAOYSA-N 0 0 419.934 4.604 50 0 HJAARN COc1ccc(-c2c(NC(=O)c3cccc(OC)c3)oc3ccccc3c2=O)cc1 ZINC000004089751 568941683 /nfs/dbraw/zinc/94/16/83/568941683.db2.gz LECDTGFHLCHEEL-UHFFFAOYSA-N 0 0 401.418 4.730 50 0 biogenic HJAARN COc1cc(-c2nc(CN3CCC[C@@H](OCc4ccccc4)C3)c(C)o2)ccc1F ZINC000012753070 568941737 /nfs/dbraw/zinc/94/17/37/568941737.db2.gz AVFTVBCYKFWION-HXUWFJFHSA-N 0 0 410.489 4.979 50 0 HJAARN O=C(Nc1cccc(Br)c1)c1nccnc1-c1nc2ccccc2s1 ZINC000012753530 568941917 /nfs/dbraw/zinc/94/19/17/568941917.db2.gz ZGEKZFUHSKHBAR-UHFFFAOYSA-N 0 0 411.284 4.768 50 0 HJAARN Cc1ccc(Oc2ccc(NC(=O)c3ccc(N4CCNC4=O)c(C)c3)cn2)cc1C ZINC000084180793 568941934 /nfs/dbraw/zinc/94/19/34/568941934.db2.gz GCHSVISDVXZEEM-UHFFFAOYSA-N 0 0 416.481 4.581 50 0 HJAARN Cc1ccc2c(Cn3cnc4scc(-c5ccccc5)c4c3=O)cc(=O)oc2c1 ZINC000012754085 568942078 /nfs/dbraw/zinc/94/20/78/568942078.db2.gz GUYJTZLJJHUDPH-UHFFFAOYSA-N 0 0 400.459 4.588 50 0 HJAARN O=C(Nc1ccccc1C(=O)NCCSCc1ccccc1F)c1cccs1 ZINC000012754683 568942565 /nfs/dbraw/zinc/94/25/65/568942565.db2.gz GIOWOLJSEZYSRJ-UHFFFAOYSA-N 0 0 414.527 4.803 50 0 HJAARN O=C(Nc1nc(CN2CCOCC2)cs1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000012755940 568942916 /nfs/dbraw/zinc/94/29/16/568942916.db2.gz GEECHAMLOWBYQI-UHFFFAOYSA-N 0 0 419.959 4.610 50 0 HJAARN Cc1ccc2c(CNc3cc(C(=O)N4CCSCC4)ccc3C)cc(=O)oc2c1C ZINC000084209920 568944625 /nfs/dbraw/zinc/94/46/25/568944625.db2.gz VTDAVGJHIOOZBY-UHFFFAOYSA-N 0 0 422.550 4.519 50 0 HJAARN COc1ccc(NC(=O)Nc2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)cc1 ZINC000012761675 568946044 /nfs/dbraw/zinc/94/60/44/568946044.db2.gz UODHBIHVLUNKLQ-UHFFFAOYSA-N 0 0 406.442 4.992 50 0 HJAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cc(F)cc(F)c3)C2)c2ccccc12 ZINC000012763036 568946658 /nfs/dbraw/zinc/94/66/58/568946658.db2.gz XPKRZBBKSOZJFF-OAHLLOKOSA-N 0 0 424.447 4.618 50 0 HJAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)S(=O)(=O)Cc1ccccc1 ZINC000012763757 568947255 /nfs/dbraw/zinc/94/72/55/568947255.db2.gz FXDFFNLFEACSJD-UHFFFAOYSA-N 0 0 417.534 4.501 50 0 HJAARN COc1cc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c32)c(OC)cc1Cl ZINC000012764010 568947273 /nfs/dbraw/zinc/94/72/73/568947273.db2.gz AREIYPFYAVYHHG-UHFFFAOYSA-N 0 0 413.817 4.714 50 0 HJAARN CC(=O)c1c(C)nc(C)nc1SCCCC(=O)c1ccc(Br)cc1 ZINC000012763777 568947293 /nfs/dbraw/zinc/94/72/93/568947293.db2.gz FXTADWZHTRDQQN-UHFFFAOYSA-N 0 0 407.333 4.814 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 ZINC000012764484 568947440 /nfs/dbraw/zinc/94/74/40/568947440.db2.gz BFPKZIDNZJWVLN-UYRXBGFRSA-N 0 0 405.845 4.532 50 0 HJAARN O=C(CCC(=O)N(Cc1cccc(O)c1)CC1CC1)c1ccc(Br)cc1 ZINC000084374501 568948193 /nfs/dbraw/zinc/94/81/93/568948193.db2.gz KCXAOPMIOAYBKO-UHFFFAOYSA-N 0 0 416.315 4.556 50 0 HJAARN COC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@H](C(=O)OC)[C@H]1c1cccc(F)c1 ZINC000004187431 568950072 /nfs/dbraw/zinc/95/00/72/568950072.db2.gz VEFGGYRPBQHPPA-LEWJYISDSA-N 0 0 409.457 4.506 50 0 HJAARN O=C([C@H]1CC(c2ccc(Cl)cc2Cl)=NO1)N(C[C@@H]1CCOC1)c1ccccc1 ZINC000084549113 568950898 /nfs/dbraw/zinc/95/08/98/568950898.db2.gz VANLLKCRTJYHPA-VBKZILBWSA-N 0 0 419.308 4.556 50 0 HJAARN O=C(c1ccc(Oc2ccc(Br)cc2)nc1)N1CCOc2ccccc21 ZINC000084582895 568951511 /nfs/dbraw/zinc/95/15/11/568951511.db2.gz BXPDNCLVTYFUJV-UHFFFAOYSA-N 0 0 411.255 4.676 50 0 HJAARN COC(=O)c1ccc(Oc2nc(CN3CCCCC3)nc3sc(C)c(C)c32)cc1 ZINC000012771696 568952123 /nfs/dbraw/zinc/95/21/23/568952123.db2.gz XIXKQOVFESFCES-UHFFFAOYSA-N 0 0 411.527 4.873 50 0 HJAARN O=C(Cn1c(=O)oc2ccccc21)N(c1nc2ccccc2s1)c1ccccc1 ZINC000012773704 568953045 /nfs/dbraw/zinc/95/30/45/568953045.db2.gz HBEKDMBFZPQVLZ-UHFFFAOYSA-N 0 0 401.447 4.569 50 0 HJAARN COc1ccc(-n2c(S[C@@H]3CCCCC3=O)nnc2-c2ccccc2)cc1OC ZINC000004246501 568953514 /nfs/dbraw/zinc/95/35/14/568953514.db2.gz MMYBJVYVMOLVMJ-HXUWFJFHSA-N 0 0 409.511 4.555 50 0 HJAARN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1cnoc1-c1ccc(Cl)s1 ZINC000084651604 568954580 /nfs/dbraw/zinc/95/45/80/568954580.db2.gz DNEMLJZYJFPPRW-GFCCVEGCSA-N 0 0 410.948 4.653 50 0 HJAARN COc1ccc(-c2cn3nc(SCC(=O)Nc4cc(C)ccc4C)ccc3n2)cc1 ZINC000004251199 568955198 /nfs/dbraw/zinc/95/51/98/568955198.db2.gz PNVRUHNEWZKKNN-UHFFFAOYSA-N 0 0 418.522 4.753 50 0 HJAARN COC(=O)c1ccc(NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000004258295 568955492 /nfs/dbraw/zinc/95/54/92/568955492.db2.gz BTGZEMOBQDECPX-UHFFFAOYSA-N 0 0 419.521 4.959 50 0 HJAARN COc1cc(OC)cc(C(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1 ZINC000012777952 568955969 /nfs/dbraw/zinc/95/59/69/568955969.db2.gz FMBOZWDXYNVFBM-KRWDZBQOSA-N 0 0 418.493 4.789 50 0 HJAARN CC(C)c1ccccc1NC(=O)[C@@H](C)Sc1nnnn1-c1ccc(Cl)cc1 ZINC000012778595 568956156 /nfs/dbraw/zinc/95/61/56/568956156.db2.gz KGMDQUIIORSRMW-CYBMUJFWSA-N 0 0 401.923 4.558 50 0 HJAARN C[C@H]1CN(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)c2ccccc21 ZINC000084715170 568956863 /nfs/dbraw/zinc/95/68/63/568956863.db2.gz WMYCCIJQCYIBJG-JKSUJKDBSA-N 0 0 414.347 4.609 50 0 HJAARN CCCc1noc(CCCC(=O)N2CCCN(Cc3ccccc3)c3ccccc32)n1 ZINC000084759050 568958438 /nfs/dbraw/zinc/95/84/38/568958438.db2.gz SYPDEHLIORGXGJ-UHFFFAOYSA-N 0 0 418.541 4.788 50 0 HJAARN COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)cc1 ZINC000004279907 568958632 /nfs/dbraw/zinc/95/86/32/568958632.db2.gz LARYQKMKRIQRRI-XMMPIXPASA-N 0 0 403.478 4.500 50 0 HJAARN O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)N[C@@H]1CCSc2c(F)cccc21 ZINC000012783270 568958737 /nfs/dbraw/zinc/95/87/37/568958737.db2.gz PUCLESQDTFYTPY-OAQYLSRUSA-N 0 0 420.509 4.576 50 0 HJAARN COc1cc(NC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)c(OC)cc1Cl ZINC000012784173 568959165 /nfs/dbraw/zinc/95/91/65/568959165.db2.gz LRGNNOLHCULJEE-UHFFFAOYSA-N 0 0 415.873 4.652 50 0 HJAARN CN(C)[C@H](CNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21)c1ccco1 ZINC000012784422 568959415 /nfs/dbraw/zinc/95/94/15/568959415.db2.gz WLPNHMPFUSCNPG-JOCHJYFZSA-N 0 0 403.457 4.667 50 0 HJAARN COc1ccccc1[C@@H]1Oc2ccccc2C2=Nc3ncnn3[C@@H](c3cccs3)C21 ZINC000004291782 568959813 /nfs/dbraw/zinc/95/98/13/568959813.db2.gz AZZQMNAVCYDKAF-VXKWHMMOSA-N 0 0 414.490 4.561 50 0 HJAARN C[C@@H](NC(=O)CNC(=O)c1ccc(Cl)cc1Cl)c1ccc2ccccc2c1 ZINC000012785791 568959896 /nfs/dbraw/zinc/95/98/96/568959896.db2.gz COIVFQAXEVUIRM-CYBMUJFWSA-N 0 0 401.293 4.754 50 0 HJAARN COc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2cnc(C)cn2)c1 ZINC000007975261 568959981 /nfs/dbraw/zinc/95/99/81/568959981.db2.gz USSBBLLYHINPQR-UHFFFAOYSA-N 0 0 403.360 4.857 50 0 HJAARN O=C(Cc1ccc(Cl)cc1)NCCSc1nc(-c2ccc(Cl)cc2)c[nH]1 ZINC000004315810 568961765 /nfs/dbraw/zinc/96/17/65/568961765.db2.gz AGWUXYJXOUVBKS-UHFFFAOYSA-N 0 0 406.338 4.835 50 0 HJAARN CCCCCc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1 ZINC000012789966 568962643 /nfs/dbraw/zinc/96/26/43/568962643.db2.gz YQGMSIFWHKNZRW-UHFFFAOYSA-N 0 0 408.951 4.575 50 0 HJAARN COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1noc3c1CSc1ccccc1-3)CC2 ZINC000015674014 568963029 /nfs/dbraw/zinc/96/30/29/568963029.db2.gz YACSYZROWDWYEB-ZDUSSCGKSA-N 0 0 422.506 4.724 50 0 HJAARN O=C(CNc1cc(Cl)ccc1N1CCOCC1)Nc1ccccc1-c1ccccc1 ZINC000007977314 568963080 /nfs/dbraw/zinc/96/30/80/568963080.db2.gz ZNZONKLDIOJEQO-UHFFFAOYSA-N 0 0 421.928 4.894 50 0 HJAARN Cc1nn(CC(C)C)c2sc(C(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)cc12 ZINC000007986212 568964668 /nfs/dbraw/zinc/96/46/68/568964668.db2.gz CDIQKZAPVOELIV-HNNXBMFYSA-N 0 0 407.543 4.739 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000007987308 568965029 /nfs/dbraw/zinc/96/50/29/568965029.db2.gz JFNQVOXZFNVCOS-XMMPIXPASA-N 0 0 415.541 4.812 50 0 HJAARN Cc1ccc(-c2nc(CN3C(=O)N[C@@](C)(c4ccc(Cl)cc4)C3=O)cs2)cc1 ZINC000007989140 568966351 /nfs/dbraw/zinc/96/63/51/568966351.db2.gz QZFRLTCWJFZCMQ-NRFANRHFSA-N 0 0 411.914 4.739 50 0 HJAARN Cc1ccc2c(c1)N(CCCC(=O)NCc1ccccc1C)C(=O)c1cccnc1O2 ZINC000015680073 568966990 /nfs/dbraw/zinc/96/69/90/568966990.db2.gz KDSGCTUXKRTDKD-UHFFFAOYSA-N 0 0 415.493 4.548 50 0 HJAARN O=C(CCCN1c2ccccc2Oc2ncccc2C1=O)NCc1ccccc1Cl ZINC000015680028 568967055 /nfs/dbraw/zinc/96/70/55/568967055.db2.gz VYFSMBBUVWOFKM-UHFFFAOYSA-N 0 0 421.884 4.584 50 0 HJAARN CCOC(=O)c1c(NC(C)=O)c2c3c(sc2n1Cc1ccccc1F)CCCC3 ZINC000015680365 568967256 /nfs/dbraw/zinc/96/72/56/568967256.db2.gz XKPGJLOXYOJZMV-UHFFFAOYSA-N 0 0 414.502 4.904 50 0 HJAARN COc1cccc(NC(=O)[C@H](Sc2nnc(NC3CC3)s2)c2ccccc2)c1 ZINC000007990893 568967278 /nfs/dbraw/zinc/96/72/78/568967278.db2.gz BTJXPYMXTRMXAY-QGZVFWFLSA-N 0 0 412.540 4.593 50 0 HJAARN C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(Br)c2)o1 ZINC000007997224 568967587 /nfs/dbraw/zinc/96/75/87/568967587.db2.gz WZZICCBBLWDRHA-JTQLQIEISA-N 0 0 414.325 4.710 50 0 HJAARN Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NCc1cccc(Cl)c1 ZINC000015681452 568967934 /nfs/dbraw/zinc/96/79/34/568967934.db2.gz STCWVNHOQXQBSB-UHFFFAOYSA-N 0 0 404.901 4.863 50 0 HJAARN CCCCNC(=O)c1ccc(-c2nc(C[S@@](=O)c3ccc(C)cc3)c(C)o2)cc1 ZINC000015682289 568968577 /nfs/dbraw/zinc/96/85/77/568968577.db2.gz HMVWYCOMHFCEIQ-LJAQVGFWSA-N 0 0 410.539 4.796 50 0 HJAARN Cc1ccc(S(=O)(=O)c2nc(Cc3ccccc3)oc2N2CCC(C)CC2)cc1 ZINC000008064197 568971272 /nfs/dbraw/zinc/97/12/72/568971272.db2.gz WXYVACKRSIMPJX-UHFFFAOYSA-N 0 0 410.539 4.643 50 0 HJAARN Cc1cccc2sc(N(Cc3ccccc3)C(=O)CSc3nccn3C)nc21 ZINC000008068108 568971376 /nfs/dbraw/zinc/97/13/76/568971376.db2.gz SQUQBLUEPPKQQB-UHFFFAOYSA-N 0 0 408.552 4.664 50 0 HJAARN COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N1CCc2ccccc2C1 ZINC000008131586 568975554 /nfs/dbraw/zinc/97/55/54/568975554.db2.gz BMTJBOOJMNGIOZ-UHFFFAOYSA-N 0 0 423.516 4.806 50 0 HJAARN O=C(Cn1c2ccccc2nc1-c1cscn1)N[C@H]1CCSc2ccccc21 ZINC000008132048 568975723 /nfs/dbraw/zinc/97/57/23/568975723.db2.gz VQKWVNCCCAHKFU-HNNXBMFYSA-N 0 0 406.536 4.513 50 0 HJAARN Cn1c(Cc2ccccc2)nnc1SCC(=O)N(c1ccccc1)C1CCCCC1 ZINC000008132055 568975763 /nfs/dbraw/zinc/97/57/63/568975763.db2.gz ABBFCMJAFJHPAY-UHFFFAOYSA-N 0 0 420.582 4.864 50 0 HJAARN C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)NC[C@@H]1CCCO1 ZINC000008133064 568976230 /nfs/dbraw/zinc/97/62/30/568976230.db2.gz CNANDYCGCCJFMQ-APWZRJJASA-N 0 0 407.539 4.520 50 0 HJAARN Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H]2CCSc3ccccc32)cc1 ZINC000008133084 568976232 /nfs/dbraw/zinc/97/62/32/568976232.db2.gz CVXZSRPQSQAGMS-OAQYLSRUSA-N 0 0 408.523 4.766 50 0 HJAARN COc1ccc(NC(=O)C[C@@H](c2ccc(F)cc2)N2Cc3ccccc3C2=O)cc1 ZINC000015720954 568976614 /nfs/dbraw/zinc/97/66/14/568976614.db2.gz PABFROXCSKNURY-QFIPXVFZSA-N 0 0 404.441 4.560 50 0 HJAARN Cc1ccc([C@@H](CC(=O)N2CCc3ccccc3C2)N2Cc3ccccc3C2=O)cc1 ZINC000015721513 568977379 /nfs/dbraw/zinc/97/73/79/568977379.db2.gz UOPZVDMOFGAIOB-RUZDIDTESA-N 0 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Cn1c2ccccc2nc1S[C@@H]1CCCCN(C(=O)c2ccc(Cl)cc2)C1=O ZINC000008425305 569001962 /nfs/dbraw/zinc/00/19/62/569001962.db2.gz LGGHPUQZNFPSAJ-GOSISDBHSA-N 0 0 413.930 4.540 50 0 HJAARN CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(C2CC2)n1-c1ccccc1 ZINC000008428339 569002389 /nfs/dbraw/zinc/00/23/89/569002389.db2.gz VVCBVZUQCJIAFI-UHFFFAOYSA-N 0 0 418.975 4.610 50 0 HJAARN Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)c1ccc(Br)cc1 ZINC000015783785 569003389 /nfs/dbraw/zinc/00/33/89/569003389.db2.gz KYLKUVJYVAIDIU-UHFFFAOYSA-N 0 0 419.319 4.993 50 0 HJAARN O=C(Cn1cccc1-c1nc(-c2ccc(Br)cc2)no1)Nc1ccccc1 ZINC000067207298 569003526 /nfs/dbraw/zinc/00/35/26/569003526.db2.gz MCBXIHCFMIIFCR-UHFFFAOYSA-N 0 0 423.270 4.606 50 0 HJAARN Cc1ccc(-c2nccc(N3CCC(C(=O)Nc4ccc(C)c(C)c4)CC3)n2)cc1 ZINC000085649259 569005563 /nfs/dbraw/zinc/00/55/63/569005563.db2.gz CKORUJTYWIMONP-UHFFFAOYSA-N 0 0 400.526 4.924 50 0 HJAARN Cc1sc(-c2noc(C3CCC3)n2)cc1NC(=O)c1ccc(Br)o1 ZINC000085650235 569005600 /nfs/dbraw/zinc/00/56/00/569005600.db2.gz 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ZINC000015786973 569007658 /nfs/dbraw/zinc/00/76/58/569007658.db2.gz ZFUJUKZODRIMTI-UHFFFAOYSA-N 0 0 406.917 4.870 50 0 HJAARN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c1 ZINC000000862949 569007752 /nfs/dbraw/zinc/00/77/52/569007752.db2.gz GBMGCAYYUBMCBF-UHFFFAOYSA-N 0 0 415.522 4.677 50 0 HJAARN CCCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(OC(F)F)c(OC)c2)cc1 ZINC000006274278 569009403 /nfs/dbraw/zinc/00/94/03/569009403.db2.gz ZERXNRVSWKRGPK-WUXMJOGZSA-N 0 0 419.424 4.905 50 0 HJAARN COc1ccc(-c2coc3c(c(OC)cc4c3[C@H](c3ccco3)CC(=O)O4)c2=O)cc1 ZINC000085876497 569009591 /nfs/dbraw/zinc/00/95/91/569009591.db2.gz FABFMCFQHQQVDU-HNNXBMFYSA-N 0 0 418.401 4.511 50 0 biogenic HJAARN COc1ccc(C2(CNC(=O)c3cn(C(C)C)c4ccccc34)CCOCC2)cc1 ZINC000085878152 569009674 /nfs/dbraw/zinc/00/96/74/569009674.db2.gz NVKVFXRYQMZZQC-UHFFFAOYSA-N 0 0 406.526 4.709 50 0 biogenic HJAARN CC(C)OCCCn1c(=O)c2ccccc2nc1S[C@H](C)c1nc(C(C)C)no1 ZINC000012859764 569011560 /nfs/dbraw/zinc/01/15/60/569011560.db2.gz MBFHUZADIVGBGS-OAHLLOKOSA-N 0 0 416.547 4.571 50 0 HJAARN CC(C)[C@H](NC(=O)c1ccco1)c1nc(-c2ccc3c(c2)ncn3C2CCCC2)no1 ZINC000015866170 569016785 /nfs/dbraw/zinc/01/67/85/569016785.db2.gz ZLFCBOFOGNHHQI-FQEVSTJZSA-N 0 0 419.485 4.922 50 0 HJAARN CC(C)C(=O)Nc1nc2cc(NS(=O)(=O)c3ccc(C(C)C)cc3)ccc2s1 ZINC000015870327 569017264 /nfs/dbraw/zinc/01/72/64/569017264.db2.gz JCOHTNUBHOQAOE-UHFFFAOYSA-N 0 0 417.556 4.815 50 0 HJAARN CCc1ccc(S(=O)(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)cc1 ZINC000015870552 569017359 /nfs/dbraw/zinc/01/73/59/569017359.db2.gz GUGYICVYUQAVPD-UHFFFAOYSA-N 0 0 419.550 4.722 50 0 HJAARN O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccc(Cl)c(Cl)c1 ZINC000015880951 569018036 /nfs/dbraw/zinc/01/80/36/569018036.db2.gz DXTXEAIRDNOGSS-UHFFFAOYSA-N 0 0 406.294 4.883 50 0 HJAARN O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000015880960 569018039 /nfs/dbraw/zinc/01/80/39/569018039.db2.gz PTCBWDXOLAJQFU-UHFFFAOYSA-N 0 0 423.391 4.735 50 0 HJAARN O=C(Nc1ccccc1Cl)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000015882828 569019218 /nfs/dbraw/zinc/01/92/18/569019218.db2.gz FWPVBXXDVYRCNN-UHFFFAOYSA-N 0 0 406.791 4.821 50 0 HJAARN Cc1cc(C)cc(NC(=O)c2cccn(Cc3ccc(C(F)(F)F)cc3)c2=O)c1 ZINC000015882853 569019233 /nfs/dbraw/zinc/01/92/33/569019233.db2.gz HRTSPBJUIJHCDH-UHFFFAOYSA-N 0 0 400.400 4.785 50 0 HJAARN CCCCN(CCCC)C(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O ZINC000015883321 569019314 /nfs/dbraw/zinc/01/93/14/569019314.db2.gz WAHNHBWHPMLAKC-UHFFFAOYSA-N 0 0 409.505 4.626 50 0 HJAARN Cc1ccccc1NC(=O)[C@@H](C)Sc1ccccc1C(=O)OCC(=O)C(C)(C)C ZINC000012906422 569021316 /nfs/dbraw/zinc/02/13/16/569021316.db2.gz CVMPUKHHJQLVDA-MRXNPFEDSA-N 0 0 413.539 4.886 50 0 HJAARN CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000012910627 569021529 /nfs/dbraw/zinc/02/15/29/569021529.db2.gz QJDAZIJZHYCWOA-IBGZPJMESA-N 0 0 424.497 4.782 50 0 HJAARN CCCc1noc([C@H](C)Sc2nc3ccc(Cl)cc3c(=O)n2CC(C)C)n1 ZINC000012910575 569021548 /nfs/dbraw/zinc/02/15/48/569021548.db2.gz PGIWYAIMXAKHDM-LBPRGKRZSA-N 0 0 406.939 4.895 50 0 HJAARN O=C(NCCc1cccs1)c1ccc(Cl)cc1NC(=O)c1ccc(F)cc1 ZINC000012914348 569022152 /nfs/dbraw/zinc/02/21/52/569022152.db2.gz PLEJWSBRESEUGN-UHFFFAOYSA-N 0 0 402.878 4.765 50 0 HJAARN CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000012914942 569022225 /nfs/dbraw/zinc/02/22/25/569022225.db2.gz FTUJSOQFSHVHCT-KDOFPFPSSA-N 0 0 406.429 4.568 50 0 HJAARN CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1oc2c(cccc2Cl)c1C ZINC000012921570 569023063 /nfs/dbraw/zinc/02/30/63/569023063.db2.gz XXPOWWDBKHTMJD-UHFFFAOYSA-N 0 0 400.862 4.504 50 0 HJAARN COc1ccc(C(=O)N2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)c2ccccc12 ZINC000012922472 569023252 /nfs/dbraw/zinc/02/32/52/569023252.db2.gz BCUAJNDDFNUIET-SFHVURJKSA-N 0 0 416.521 4.578 50 0 HJAARN COc1ccc(NC(=O)CN(C)C(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000015968652 569025199 /nfs/dbraw/zinc/02/51/99/569025199.db2.gz RXDQTSLSWRRJJF-HSZRJFAPSA-N 0 0 420.534 4.626 50 0 HJAARN CCOc1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)ccc1OCC(C)C ZINC000016308034 569031221 /nfs/dbraw/zinc/03/12/21/569031221.db2.gz VFTDKEORAPIJNI-HXUWFJFHSA-N 0 0 407.514 4.974 50 0 HJAARN O=C(c1cccc(Oc2ccc(F)cc2)c1)N1CC(N2CCc3sccc3C2)C1 ZINC000575610207 569032365 /nfs/dbraw/zinc/03/23/65/569032365.db2.gz DVGVPAUSFSCMJI-UHFFFAOYSA-N 0 0 408.498 4.562 50 0 HJAARN Nc1c(C(=O)c2ccc3c(c2)OCO3)sc2nc3c(c(C(F)(F)F)c12)CCCC3 ZINC000035326264 569032867 /nfs/dbraw/zinc/03/28/67/569032867.db2.gz YDVFAWLEFXCESU-UHFFFAOYSA-N 0 0 420.412 4.736 50 0 HJAARN CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)Nc1ccc(Cl)cc1 ZINC000006226738 569033555 /nfs/dbraw/zinc/03/35/55/569033555.db2.gz PEXISFZQTIABDE-UHFFFAOYSA-N 0 0 421.950 4.937 50 0 HJAARN CCOc1ccccc1-c1noc(CSc2nnc(C)n2-c2ccc(CC)cc2)n1 ZINC000006225531 569033584 /nfs/dbraw/zinc/03/35/84/569033584.db2.gz MLOUITPGBHLJQR-UHFFFAOYSA-N 0 0 421.526 4.879 50 0 HJAARN Cc1cccc(-c2ccc(N3CCC[C@H](C(=O)NCc4ccccc4Cl)C3)nn2)c1 ZINC000035398300 569035091 /nfs/dbraw/zinc/03/50/91/569035091.db2.gz BCWKNLNFFVGMMZ-FQEVSTJZSA-N 0 0 420.944 4.638 50 0 HJAARN Cc1ccc([C@H](C)NC(=O)C2CCN(c3ccc(-c4ccccc4)nn3)CC2)cc1 ZINC000035398356 569035173 /nfs/dbraw/zinc/03/51/73/569035173.db2.gz SLAOBYLEWSIXEY-IBGZPJMESA-N 0 0 400.526 4.546 50 0 HJAARN Cc1ccc(-c2ccc(N3CCC(C(=O)Nc4ccc(Cl)cc4)CC3)nn2)cc1 ZINC000035398516 569035220 /nfs/dbraw/zinc/03/52/20/569035220.db2.gz FSWDNAKCOHETCN-UHFFFAOYSA-N 0 0 406.917 4.961 50 0 HJAARN CC(C)c1ccc(S(=O)(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc1 ZINC000035399241 569035310 /nfs/dbraw/zinc/03/53/10/569035310.db2.gz YXPGFCWSARUHAR-UHFFFAOYSA-N 0 0 421.566 4.706 50 0 biogenic HJAARN Cc1cc(C)c(S(=O)(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc1C ZINC000035399254 569035318 /nfs/dbraw/zinc/03/53/18/569035318.db2.gz SERPLQASHAWKBF-UHFFFAOYSA-N 0 0 421.566 4.508 50 0 biogenic HJAARN COC(=O)c1sc(NC(=O)c2ccc(-c3ccccc3)cc2)c(C(=O)OC)c1C ZINC000006254264 569035326 /nfs/dbraw/zinc/03/53/26/569035326.db2.gz BFONAWLHTBBFAA-UHFFFAOYSA-N 0 0 409.463 4.549 50 0 HJAARN COc1ccc(Cn2cnc3c4ccccc4n(Cc4ccccc4F)c3c2=O)cc1 ZINC000035400200 569035431 /nfs/dbraw/zinc/03/54/31/569035431.db2.gz NEFLJGPXJRSPQG-UHFFFAOYSA-N 0 0 413.452 4.596 50 0 HJAARN COc1cccc(Cn2c3ccccc3c3ncn(CCc4ccccc4)c(=O)c32)c1 ZINC000035400250 569035439 /nfs/dbraw/zinc/03/54/39/569035439.db2.gz NQINUHKTQMYOOU-UHFFFAOYSA-N 0 0 409.489 4.651 50 0 HJAARN CN1C[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000035420689 569036380 /nfs/dbraw/zinc/03/63/80/569036380.db2.gz ASQFCOLZFPITDH-QNIAMRLHSA-N 0 0 416.908 4.716 50 0 HJAARN Cc1c2ccccc2oc1C(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000006287132 569037536 /nfs/dbraw/zinc/03/75/36/569037536.db2.gz CZJXCFLKPTZHHD-UHFFFAOYSA-N 0 0 412.511 4.558 50 0 HJAARN Cc1ccc(S(=O)(=O)c2ccc(C(=O)N3CC=C(c4ccccc4)CC3)s2)cc1 ZINC000035460810 569038238 /nfs/dbraw/zinc/03/82/38/569038238.db2.gz ISBGGMWXLSBIRY-UHFFFAOYSA-N 0 0 423.559 4.819 50 0 HJAARN O=C(c1cc2nc(C3CC3)cc(C(F)F)n2n1)N1CCC[C@H]1c1cccc(F)c1 ZINC000035476351 569038329 /nfs/dbraw/zinc/03/83/29/569038329.db2.gz FJHFJPAZFYGZGM-KRWDZBQOSA-N 0 0 400.404 4.661 50 0 HJAARN O=C(Nc1ccccc1F)[C@H]1CCCN(c2nc3ccccc3nc2C(F)(F)F)C1 ZINC000035478448 569038536 /nfs/dbraw/zinc/03/85/36/569038536.db2.gz MBBVDDSKIKQIFU-ZDUSSCGKSA-N 0 0 418.394 4.643 50 0 HJAARN O=C(NCc1nccnc1-c1cccs1)c1cccc(OCc2ccccc2)c1 ZINC000575619181 569038616 /nfs/dbraw/zinc/03/86/16/569038616.db2.gz AHRKAMWCGBIESS-UHFFFAOYSA-N 0 0 401.491 4.714 50 0 HJAARN Cn1cc([C@H]2CN(C(=O)Nc3ccccc3C(F)(F)F)Cc3ccccc32)cn1 ZINC000575621129 569038988 /nfs/dbraw/zinc/03/89/88/569038988.db2.gz YBAJQNDKXRZQNV-QGZVFWFLSA-N 0 0 400.404 4.619 50 0 HJAARN O=C(NCCC1=CCCCC1)C1CCN(c2cc(-c3cccc(F)c3)ncn2)CC1 ZINC000035480955 569039389 /nfs/dbraw/zinc/03/93/89/569039389.db2.gz LLQQIRVWASJGMB-UHFFFAOYSA-N 0 0 408.521 4.506 50 0 HJAARN Cc1nc(C)c(-c2nc(-c3ccc4c(c3)nc(C)c(=O)n4C3CCCC3)no2)s1 ZINC000035481932 569039552 /nfs/dbraw/zinc/03/95/52/569039552.db2.gz MRSDPODVPSTBDA-UHFFFAOYSA-N 0 0 407.499 4.610 50 0 HJAARN Cc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)c3ccc(C)c(C)c3)nc2)c(C)c1 ZINC000035483513 569039652 /nfs/dbraw/zinc/03/96/52/569039652.db2.gz ZSNNWVWLARUSFP-UHFFFAOYSA-N 0 0 408.523 4.709 50 0 HJAARN CCCC[C@H](CC)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000226991169 569039950 /nfs/dbraw/zinc/03/99/50/569039950.db2.gz XMMKDNVRLXROGB-FBEWHJACSA-N 0 0 410.489 4.721 50 0 HJAARN COc1ccc(OC)c([C@H]2SCCN2C(=O)Nc2ccc(Br)cc2)c1 ZINC000035505972 569040909 /nfs/dbraw/zinc/04/09/09/569040909.db2.gz FWGNQFLJGAGOJM-QGZVFWFLSA-N 0 0 423.332 4.746 50 0 HJAARN Cc1nc(-c2ccccc2F)sc1CNC(=O)c1cc(-c2cccs2)nn1C ZINC000090592983 569041534 /nfs/dbraw/zinc/04/15/34/569041534.db2.gz GPYMLFUYWPXRPZ-UHFFFAOYSA-N 0 0 412.515 4.650 50 0 HJAARN COc1ccc(O[C@H](C)C(=O)NCc2sc(-c3ccccc3Cl)nc2C)cc1 ZINC000090593141 569041572 /nfs/dbraw/zinc/04/15/72/569041572.db2.gz GKTMYRAAZNEGEE-CQSZACIVSA-N 0 0 416.930 4.864 50 0 HJAARN Cn1cc(-c2cccs2)nc1CCNC(=O)C(c1ccccc1)c1ccccc1 ZINC000090606968 569041854 /nfs/dbraw/zinc/04/18/54/569041854.db2.gz KMLBGSKBZMYQRA-UHFFFAOYSA-N 0 0 401.535 4.639 50 0 HJAARN COc1ccc(SCC2CCN(C(=O)c3ccc(Br)o3)CC2)cc1 ZINC000090608267 569042245 /nfs/dbraw/zinc/04/22/45/569042245.db2.gz LIYHDJNSHSNFJD-UHFFFAOYSA-N 0 0 410.333 4.695 50 0 HJAARN CCOc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)/C=C/c1ccccc1 ZINC000004082659 569042792 /nfs/dbraw/zinc/04/27/92/569042792.db2.gz IAPQJTWDFSUNMC-YWLJCLKGSA-N 0 0 405.538 4.993 50 0 biogenic HJAARN COc1cccc2cc(C(=O)N3CCO[C@@H](c4cc(Cl)cc(Cl)c4)C3)oc21 ZINC000090613823 569042898 /nfs/dbraw/zinc/04/28/98/569042898.db2.gz PCOKPRCPZJLCED-GOSISDBHSA-N 0 0 406.265 4.962 50 0 HJAARN Cc1ccc(-n2ncc3c2NC(=O)C[C@H]3c2cc(Br)ccc2F)cc1 ZINC000035511538 569043057 /nfs/dbraw/zinc/04/30/57/569043057.db2.gz OIDNGJFVKMLMSI-AWEZNQCLSA-N 0 0 400.251 4.556 50 0 HJAARN CCC(=O)c1cn(CC(=O)N[C@H](CC)c2ccc3c(c2)OCCCO3)c2ccccc12 ZINC000035511658 569043083 /nfs/dbraw/zinc/04/30/83/569043083.db2.gz SEBRGQCCWHWRQO-HXUWFJFHSA-N 0 0 420.509 4.663 50 0 HJAARN Cc1onc(-c2ccc(Br)cc2)c1C(=O)NCc1cccc(Cl)c1 ZINC000035536618 569043636 /nfs/dbraw/zinc/04/36/36/569043636.db2.gz DFDNATGACJJDBG-UHFFFAOYSA-N 0 0 405.679 4.996 50 0 HJAARN CCCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000035527827 569043944 /nfs/dbraw/zinc/04/39/44/569043944.db2.gz MXHXZDYYVJDXEU-HXUWFJFHSA-N 0 0 411.527 4.523 50 0 HJAARN O=C(CSc1nnc(-c2ccccc2F)n1C1CCCCC1)NCc1ccccc1 ZINC000006344229 569044130 /nfs/dbraw/zinc/04/41/30/569044130.db2.gz VJASBTBVXOISBD-UHFFFAOYSA-N 0 0 424.545 4.998 50 0 HJAARN CCCn1c2nnc(SCc3ccc(F)cc3Cl)n2c2ccsc2c1=O ZINC000035529169 569044139 /nfs/dbraw/zinc/04/41/39/569044139.db2.gz IJVHEQHPDDUXOZ-UHFFFAOYSA-N 0 0 408.911 4.601 50 0 HJAARN Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)Nc3ccc4c(c3)OCO4)cc12 ZINC000006335961 569044203 /nfs/dbraw/zinc/04/42/03/569044203.db2.gz ZVPNLPJKSTYDQU-UHFFFAOYSA-N 0 0 405.479 4.744 50 0 HJAARN COc1cccc(-n2c(=O)c3ccccc3nc2SCc2ccc(F)c(F)c2)c1 ZINC000035561289 569045044 /nfs/dbraw/zinc/04/50/44/569045044.db2.gz MDNKEXFOQMLCGV-UHFFFAOYSA-N 0 0 410.445 4.965 50 0 HJAARN Cc1sc2nc([C@H](C)OC(=O)C(C)(C)Oc3ccc(Cl)cc3)[nH]c(=O)c2c1C ZINC000006353576 569045192 /nfs/dbraw/zinc/04/51/92/569045192.db2.gz LWNIPULFXJYFSE-NSHDSACASA-N 0 0 420.918 4.717 50 0 HJAARN CC(C)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000006375522 569045335 /nfs/dbraw/zinc/04/53/35/569045335.db2.gz DVYBAWJEAJSRBB-UHFFFAOYSA-N 0 0 408.523 4.887 50 0 HJAARN O=C(NC(c1ccccc1)c1ccccc1)N1CCC(c2nnc(C3CC3)o2)CC1 ZINC000035597721 569045794 /nfs/dbraw/zinc/04/57/94/569045794.db2.gz QYMHACBBLLLZBP-UHFFFAOYSA-N 0 0 402.498 4.626 50 0 HJAARN C[C@@H]1CCCN(C(=O)CSc2ncnc3cc(-c4ccc(F)cc4)sc32)C1 ZINC000006365097 569045986 /nfs/dbraw/zinc/04/59/86/569045986.db2.gz HZGSGMQVWZJHGS-CYBMUJFWSA-N 0 0 401.532 4.848 50 0 HJAARN C[C@H](Sc1ncnc2cc(-c3ccc(F)cc3)sc21)C(=O)N1CCCCC1 ZINC000006364834 569045993 /nfs/dbraw/zinc/04/59/93/569045993.db2.gz VVJDERHXECVEMM-ZDUSSCGKSA-N 0 0 401.532 4.991 50 0 HJAARN Cn1c2ccccc2c2cc(/C=C3/NC(=S)N(c4ccc(F)cc4)C3=O)ccc21 ZINC000006402102 569046806 /nfs/dbraw/zinc/04/68/06/569046806.db2.gz QDZOHCOBZFUDBL-CPNJWEJPSA-N 0 0 401.466 4.733 50 0 HJAARN S=C(Nc1ccn(Cc2cccc3ccccc32)n1)Nc1ccc2c(c1)OCCO2 ZINC000006403002 569046864 /nfs/dbraw/zinc/04/68/64/569046864.db2.gz NDLAWRMHRNRESF-UHFFFAOYSA-N 0 0 416.506 4.665 50 0 HJAARN Cc1ccc(NC(=O)c2ccsc2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000013003167 569049276 /nfs/dbraw/zinc/04/92/76/569049276.db2.gz KPEUJVAKKIFWRA-UHFFFAOYSA-N 0 0 406.916 4.763 50 0 HJAARN COc1cc(C)c(NC(=O)c2cccnc2SCc2c(C)noc2C)cc1OC ZINC000013007785 569049872 /nfs/dbraw/zinc/04/98/72/569049872.db2.gz FTCCPFSMFCEVRA-UHFFFAOYSA-N 0 0 413.499 4.557 50 0 HJAARN COCCCn1c(S[C@@H](C)c2nc(C(C)C)no2)nnc1-c1ccc(Cl)cc1 ZINC000013023684 569051280 /nfs/dbraw/zinc/05/12/80/569051280.db2.gz WSRVYNPZUPGPIY-ZDUSSCGKSA-N 0 0 421.954 4.995 50 0 HJAARN COc1ccc(/C=C\c2nn3c(nnc3-c3cc4ccccc4o3)s2)cc1OC ZINC000224121470 569052360 /nfs/dbraw/zinc/05/23/60/569052360.db2.gz PFBBQZMHKUARNU-NTMALXAHSA-N 0 0 404.451 4.787 50 0 HJAARN O=c1nc(CN2CC[C@@H]3CCCC[C@H]3C2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000239296766 569054084 /nfs/dbraw/zinc/05/40/84/569054084.db2.gz DGNAVYCUSZQRHE-GJZGRUSLSA-N 0 0 413.974 5.729 50 0 HJAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(-c3ccccc3)cc2)cc1 ZINC000239347261 569054271 /nfs/dbraw/zinc/05/42/71/569054271.db2.gz MOLSDNAPSHRQLC-PXJZQJOASA-N 0 0 416.524 6.904 50 0 HJAARN Cc1cc(C)cc(N2C(=O)[C@H]3[C@H](C2=O)[C@H](c2ccccc2)C=C[C@H]3c2ccccc2)c1 ZINC000239403015 569054305 /nfs/dbraw/zinc/05/43/05/569054305.db2.gz RJVJXGZFKKXPOI-QEGGNFSNSA-N 0 0 407.513 5.546 50 0 HJAARN O=C1[C@H](c2ccccc2)[C@H](c2cccs2)N[C@H](c2cccs2)[C@H]1c1ccccc1 ZINC000239415293 569054363 /nfs/dbraw/zinc/05/43/63/569054363.db2.gz UCZYTGZNLXWZAW-YCAMKHIRSA-N 0 0 415.583 6.332 50 0 HJAARN O=C(Nc1cccc(Br)c1)[C@H]1[C@@H]2CC[C@@H]3[C@@H](CC[C@@H]21)C3(Cl)Cl ZINC000239433780 569054389 /nfs/dbraw/zinc/05/43/89/569054389.db2.gz YLNAXLXLRCUAOJ-KHMAMNHCSA-N 0 0 403.147 5.244 50 0 HJAARN 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569058009 /nfs/dbraw/zinc/05/80/09/569058009.db2.gz AECQLTCVBOSYHQ-UHFFFAOYSA-N 0 0 418.537 4.598 50 0 HJAARN C[C@@H](Sc1ccccc1)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000089368726 569058710 /nfs/dbraw/zinc/05/87/10/569058710.db2.gz HZMDTGWOIYZDRO-HRBLRVMOSA-N 0 0 404.576 4.556 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cc3ccccc3o2)n1C ZINC000006478238 569059273 /nfs/dbraw/zinc/05/92/73/569059273.db2.gz DTQNWEXZYQCWEN-UHFFFAOYSA-N 0 0 412.902 4.921 50 0 HJAARN CCCCCCC(=O)N1CCCN(c2nc(C)nc(CC)c2Cc2ccccc2)CC1 ZINC000035794798 569059580 /nfs/dbraw/zinc/05/95/80/569059580.db2.gz WENSCZQOGIKFBG-UHFFFAOYSA-N 0 0 422.617 4.947 50 0 HJAARN COc1ccc(-c2cnnc(N=NCc3ccc(-c4ccccc4Cl)o3)n2)cc1 ZINC000252633670 569060992 /nfs/dbraw/zinc/06/09/92/569060992.db2.gz WFLMHPGQLMWXBV-UHFFFAOYSA-N 0 0 405.845 4.907 50 0 HJAARN Cc1noc(C)c1CC(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1F ZINC000054211572 569061156 /nfs/dbraw/zinc/06/11/56/569061156.db2.gz SUSXPLBDGYZNTH-FQEVSTJZSA-N 0 0 417.278 4.641 50 0 HJAARN 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COc1ccc(NC(=O)c2cc3c(C)nn(-c4ccc(C)cc4)c3s2)cc1OC ZINC000064567931 569067495 /nfs/dbraw/zinc/06/74/95/569067495.db2.gz KATGUDJIIKPCAY-UHFFFAOYSA-N 0 0 407.495 4.973 50 0 HJAARN COC(=O)c1ccc(Nc2cc(C(=O)N3CCC[C@H](C)C3)nc3ccc(C)cc32)cc1 ZINC000064568480 569067628 /nfs/dbraw/zinc/06/76/28/569067628.db2.gz GRENMWXFEWEJMI-KRWDZBQOSA-N 0 0 417.509 4.946 50 0 HJAARN COC[C@H](C)n1c(COc2ccccc2F)nn(CN2[C@H](C)CCC[C@H]2C)c1=S ZINC000006586390 569067728 /nfs/dbraw/zinc/06/77/28/569067728.db2.gz PVOVWDJZOPIROK-ZACQAIPSSA-N 0 0 422.570 4.560 50 0 HJAARN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(=O)C1CCC1 ZINC000035965458 569069176 /nfs/dbraw/zinc/06/91/76/569069176.db2.gz OGSMYQTZSBUNKS-UHFFFAOYSA-N 0 0 419.525 4.655 50 0 HJAARN CCc1nn(-c2ccccc2)c(N(C)C)c1CN(CC(C)C)C(=O)c1ccc(F)cc1 ZINC000035973325 569069430 /nfs/dbraw/zinc/06/94/30/569069430.db2.gz KYRTYUKGEOYMEY-UHFFFAOYSA-N 0 0 422.548 4.938 50 0 HJAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OC)cc2OC)cc1 ZINC000239235503 569069786 /nfs/dbraw/zinc/06/97/86/569069786.db2.gz WCAAZHVKQLECMC-DHLKQENFSA-N 0 0 416.477 4.955 50 0 HJAARN Cc1nc2ccc(NC(=O)Cc3ccc(OCc4c(C)noc4C)cc3)cc2s1 ZINC000006601737 569069806 /nfs/dbraw/zinc/06/98/06/569069806.db2.gz FYCDYBIEOBXQCT-UHFFFAOYSA-N 0 0 407.495 4.970 50 0 HJAARN COc1ccc(Oc2c(CN(CC3CC3)C(C)=O)c(-c3ccccc3)nn2C)cc1 ZINC000035980635 569071915 /nfs/dbraw/zinc/07/19/15/569071915.db2.gz BCUIJBDITPTHGF-UHFFFAOYSA-N 0 0 405.498 4.647 50 0 HJAARN Cc1ccccc1NC(=S)N[C@H](NC(=O)CC(C)(C)C)C(Cl)(Cl)Cl ZINC000005740623 569072030 /nfs/dbraw/zinc/07/20/30/569072030.db2.gz TYBNZUFLVCYNTJ-ZDUSSCGKSA-N 0 0 410.798 4.530 50 0 HJAARN O=C(COC(=O)c1ccccc1F)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000006610767 569074208 /nfs/dbraw/zinc/07/42/08/569074208.db2.gz FDQCWRDFLKDCDS-HXUWFJFHSA-N 0 0 407.466 4.863 50 0 HJAARN CCc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)c1 ZINC000006623452 569075062 /nfs/dbraw/zinc/07/50/62/569075062.db2.gz KJOXQIVYNCVAHW-UHFFFAOYSA-N 0 0 416.449 4.580 50 0 HJAARN Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)cc1C ZINC000006623484 569075125 /nfs/dbraw/zinc/07/51/25/569075125.db2.gz BBGBMMHPCOEFDH-UHFFFAOYSA-N 0 0 416.449 4.635 50 0 HJAARN COc1cc(NC(=O)Cc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc(OC)c1 ZINC000006623888 569075384 /nfs/dbraw/zinc/07/53/84/569075384.db2.gz ROLXDAACSSMKQO-UHFFFAOYSA-N 0 0 421.449 4.663 50 0 biogenic HJAARN CCOc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3nccs3)c2c1 ZINC000006631079 569075708 /nfs/dbraw/zinc/07/57/08/569075708.db2.gz IHMURDBXXOBTGS-UHFFFAOYSA-N 0 0 422.535 4.883 50 0 HJAARN Cc1ccc(-c2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)C3CC3)no2)c(C)c1 ZINC000036012358 569075815 /nfs/dbraw/zinc/07/58/15/569075815.db2.gz MCRKGNHPYCLHKX-UHFFFAOYSA-N 0 0 404.466 4.626 50 0 HJAARN Cc1[nH]c2ccccc2c1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000036006787 569076181 /nfs/dbraw/zinc/07/61/81/569076181.db2.gz SIUWMTZFHLLPBX-UHFFFAOYSA-N 0 0 401.432 4.500 50 0 HJAARN Cc1cccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2ccc(F)cc2F)c1 ZINC000064657026 569077081 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ZINC000065133347 569182997 /nfs/dbraw/zinc/18/29/97/569182997.db2.gz ZOVCFSVLZQZLFN-ZIAGYGMSSA-N 0 0 424.492 4.709 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)CSc1cc(N2C[C@@H](C)C[C@H](C)C2)ncn1 ZINC000065133373 569183004 /nfs/dbraw/zinc/18/30/04/569183004.db2.gz MFBVESCVJZMWBU-KBPBESRZSA-N 0 0 404.967 4.652 50 0 HJAARN Cc1cc(OCC(=O)Nc2ccc(F)cc2C)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000065134027 569183066 /nfs/dbraw/zinc/18/30/66/569183066.db2.gz AKPUMHGIKZMODT-UHFFFAOYSA-N 0 0 419.378 4.936 50 0 HJAARN Cc1cccc(NC(=O)N2CCC[C@H](CCC(=O)NCc3ccc(F)cc3F)C2)c1 ZINC000065136530 569183381 /nfs/dbraw/zinc/18/33/81/569183381.db2.gz ZCIBTABGFQYELQ-QGZVFWFLSA-N 0 0 415.484 4.614 50 0 HJAARN Cc1cccc(NC(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)c1 ZINC000065136574 569183415 /nfs/dbraw/zinc/18/34/15/569183415.db2.gz RNFIBPOQTALOQD-SFHVURJKSA-N 0 0 413.949 4.989 50 0 HJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1ccc(C)cc1)CC2 ZINC000036447651 569184096 /nfs/dbraw/zinc/18/40/96/569184096.db2.gz SZOPSXDBAIVLDO-XMMPIXPASA-N 0 0 422.550 4.660 50 0 HJAARN O=C1CCC[C@@H]1Sc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1 ZINC000006932747 569184514 /nfs/dbraw/zinc/18/45/14/569184514.db2.gz XAQGYUQZGUHLPR-KRWDZBQOSA-N 0 0 405.306 4.906 50 0 HJAARN Cc1c(C(=O)NCCc2ccc(Cl)cc2)oc2ccc3c(c12)[C@@H](O)CC(C)(C)O3 ZINC000006940567 569185708 /nfs/dbraw/zinc/18/57/08/569185708.db2.gz UBFMOJFLTLNFMW-INIZCTEOSA-N 0 0 413.901 4.962 50 0 HJAARN O=c1c(=O)c(N(CCc2ccccc2)Cc2ccccc2)c1-c1ccc(Cl)cc1 ZINC000006941756 569186712 /nfs/dbraw/zinc/18/67/12/569186712.db2.gz ZOQIEBIFJUGSOX-UHFFFAOYSA-N 0 0 401.893 4.852 50 0 HJAARN CCOC(=O)c1cccc(NC(=O)c2cnc(-c3ccccc3)nc2-c2ccncc2)c1 ZINC000065153713 569187608 /nfs/dbraw/zinc/18/76/08/569187608.db2.gz HWEQHDFJGGEHQH-UHFFFAOYSA-N 0 0 424.460 4.635 50 0 HJAARN COc1ccc([C@H](C)NC(=O)c2cnc(-c3ccccc3)nc2-c2ccncc2)cc1 ZINC000065153766 569187640 /nfs/dbraw/zinc/18/76/40/569187640.db2.gz AEHCWTZRANALLB-KRWDZBQOSA-N 0 0 410.477 4.705 50 0 HJAARN O=C(Nc1c(F)cccc1F)c1cnc(-c2ccc(F)cc2)nc1-c1ccncc1 ZINC000065154015 569187741 /nfs/dbraw/zinc/18/77/41/569187741.db2.gz YYWFBPJOOQGNDF-UHFFFAOYSA-N 0 0 406.367 4.875 50 0 HJAARN Cc1oc(-c2ccccc2)nc1CN1c2ccccc2[C@@](O)(c2cccc(C)c2)C1=O ZINC000065154934 569187911 /nfs/dbraw/zinc/18/79/11/569187911.db2.gz GGRGLOFNCBSFOM-SANMLTNESA-N 0 0 410.473 4.741 50 0 HJAARN CCOC(=O)c1cc(-c2ccccc2)n(CCCC(=O)NCc2ccccc2)c1C ZINC000006948931 569188287 /nfs/dbraw/zinc/18/82/87/569188287.db2.gz JNLTZRUHXFXIBG-UHFFFAOYSA-N 0 0 404.510 4.737 50 0 HJAARN COc1ccccc1-n1nc(C(=O)Nc2ccc(C(C)C)cc2)c2ccccc2c1=O ZINC000006950300 569189246 /nfs/dbraw/zinc/18/92/46/569189246.db2.gz NSKRTRGCBXDYJI-UHFFFAOYSA-N 0 0 413.477 4.770 50 0 HJAARN C[C@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1N1CCCCCC1)c1ccccc1 ZINC000065165970 569189809 /nfs/dbraw/zinc/18/98/09/569189809.db2.gz LQJONVSFLADNSI-SFHVURJKSA-N 0 0 405.542 4.907 50 0 HJAARN Cc1ccc(C(=O)N2CCC[C@H](COc3ccc(C(=O)N4CCCCC4)cc3)C2)cc1 ZINC000065178587 569191791 /nfs/dbraw/zinc/19/17/91/569191791.db2.gz HFZZWPQYBFQATG-NRFANRHFSA-N 0 0 420.553 4.552 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)CSc1ccc(-c2nc(C3CC3)no2)cn1 ZINC000065185786 569191970 /nfs/dbraw/zinc/19/19/70/569191970.db2.gz FPWZKGSSPVUEJA-UHFFFAOYSA-N 0 0 400.891 4.702 50 0 HJAARN Cc1cc(-c2nnc(-c3ccc(F)cc3)o2)c(C)n1CC(=O)Nc1cccc(F)c1 ZINC000065194969 569193947 /nfs/dbraw/zinc/19/39/47/569193947.db2.gz SHEDQTYUEWKGHJ-UHFFFAOYSA-N 0 0 408.408 4.739 50 0 HJAARN O=C(Cc1cccc(F)c1)NCc1ccc(-c2nc(-c3ccc(F)cc3)no2)s1 ZINC000065195977 569194496 /nfs/dbraw/zinc/19/44/96/569194496.db2.gz MTLMPARZBCFGAS-UHFFFAOYSA-N 0 0 411.433 4.602 50 0 HJAARN O=C(NC1CC1)[C@H](OC(=O)c1cc(-c2ccco2)nc2ccccc21)c1ccccc1 ZINC000006989241 569195961 /nfs/dbraw/zinc/19/59/61/569195961.db2.gz NWHFPRHOTKRPMF-HSZRJFAPSA-N 0 0 412.445 4.672 50 0 HJAARN COc1ccc(C(=O)Nc2ccsc2-c2nc(-c3ccccc3)no2)cc1OC ZINC000065218862 569198231 /nfs/dbraw/zinc/19/82/31/569198231.db2.gz SYWQJSUJNKQTQH-UHFFFAOYSA-N 0 0 407.451 4.735 50 0 HJAARN CCc1ccc(-n2nc(C)c3c2nc(C)cc3C(=O)NCc2ccc(OC)cc2)cc1 ZINC000007003802 569198347 /nfs/dbraw/zinc/19/83/47/569198347.db2.gz GGIFIFSFAMSVMW-UHFFFAOYSA-N 0 0 414.509 4.538 50 0 HJAARN CSC1=NC2(CCN(C(=O)Nc3ccccc3C)CC2)N=C1c1ccc(C)cc1 ZINC000007003002 569198955 /nfs/dbraw/zinc/19/89/55/569198955.db2.gz NBXMTXNAOKJRKV-UHFFFAOYSA-N 0 0 406.555 4.892 50 0 HJAARN Cn1cc(-c2nc(C(=O)NCc3ccccc3C(F)(F)F)cs2)c2cccnc21 ZINC000065241048 569203970 /nfs/dbraw/zinc/20/39/70/569203970.db2.gz JNXVFEBIKIASLN-UHFFFAOYSA-N 0 0 416.428 4.646 50 0 HJAARN CCOc1ccc(NC(=O)c2ccc3c(c2)Sc2ncccc2C(=O)N3CC)cc1 ZINC000065241344 569204100 /nfs/dbraw/zinc/20/41/00/569204100.db2.gz GQABBPMDFOJWBW-UHFFFAOYSA-N 0 0 419.506 4.864 50 0 HJAARN COc1cccc(-c2cc(C(=O)Nc3ccccc3Cl)c3c(C)nn(C)c3n2)c1 ZINC000036615919 569207086 /nfs/dbraw/zinc/20/70/86/569207086.db2.gz XBXGWVFUNPTMEC-UHFFFAOYSA-N 0 0 406.873 4.858 50 0 HJAARN CC(C)N1c2ccc(NC(=O)c3cccc(F)c3)cc2Sc2ncccc2C1=O ZINC000065258566 569210322 /nfs/dbraw/zinc/21/03/22/569210322.db2.gz GBEQSQOIFHHBQD-UHFFFAOYSA-N 0 0 407.470 4.993 50 0 HJAARN CC(C)N1c2ccc(NC(=O)Cc3cccc(F)c3)cc2Sc2ncccc2C1=O ZINC000065258568 569210330 /nfs/dbraw/zinc/21/03/30/569210330.db2.gz YUBLVOBXKVTXDW-UHFFFAOYSA-N 0 0 421.497 4.922 50 0 HJAARN CC(=O)N1CC2=C(C1=O)[C@H](c1cccs1)c1cn(CC(C)C)c3cccc(c13)N2 ZINC000524730797 569212145 /nfs/dbraw/zinc/21/21/45/569212145.db2.gz XPVBNELNXXWMGE-NRFANRHFSA-N 0 0 405.523 4.559 50 0 biogenic HJAARN COCCN(Cc1ccccc1)C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000036624607 569212700 /nfs/dbraw/zinc/21/27/00/569212700.db2.gz KEXJILVHENZVAM-UHFFFAOYSA-N 0 0 403.482 4.619 50 0 HJAARN O=C(C[C@H](c1ccsc1)n1cccc1)NCCCCCc1nc2ccccc2[nH]1 ZINC000524735179 569214236 /nfs/dbraw/zinc/21/42/36/569214236.db2.gz CMBYLNQBUYTQOZ-OAQYLSRUSA-N 0 0 406.555 4.935 50 0 HJAARN O=C(Nc1ccc(N2CCN(Cc3ccccc3)C2=O)nc1)c1ccc(F)c(Cl)c1 ZINC000065272377 569215634 /nfs/dbraw/zinc/21/56/34/569215634.db2.gz DHRMKIZUAIUPHT-UHFFFAOYSA-N 0 0 424.863 4.569 50 0 HJAARN Cn1c(SCc2nc(-c3cccc(Cl)c3)no2)nnc1-c1ccccc1F ZINC000007087635 569217542 /nfs/dbraw/zinc/21/75/42/569217542.db2.gz AYKIXCGAUAZVTE-UHFFFAOYSA-N 0 0 401.854 4.617 50 0 HJAARN COc1ccc(NC(=O)N2CC[C@H](Cc3nc4cccnc4n3CC(C)C)C2)c(C)c1 ZINC000065292663 569218306 /nfs/dbraw/zinc/21/83/06/569218306.db2.gz OYDAHTWCYFMWRY-GOSISDBHSA-N 0 0 421.545 4.501 50 0 HJAARN Cc1nn(-c2cccc(C)c2)c2nc(N(C)CC(=O)Nc3ccc(C)c(C)c3)sc12 ZINC000065294118 569218618 /nfs/dbraw/zinc/21/86/18/569218618.db2.gz RXOYOUVXGTWJIW-UHFFFAOYSA-N 0 0 419.554 4.791 50 0 HJAARN CC(C)n1c(=O)c2ccccc2nc1SCc1nc(-c2cccc(Cl)c2)no1 ZINC000007114346 569220977 /nfs/dbraw/zinc/22/09/77/569220977.db2.gz DNJDICMPQXVVNB-UHFFFAOYSA-N 0 0 412.902 4.973 50 0 HJAARN CCN1c2ccc(C(=O)Nc3cc(C)ccc3C)cc2-c2ccccc2S1(=O)=O ZINC000065315051 569223326 /nfs/dbraw/zinc/22/33/26/569223326.db2.gz VWONZNXRFCLPHH-UHFFFAOYSA-N 0 0 406.507 4.751 50 0 HJAARN Cc1ccccc1-c1noc([C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2C)n1 ZINC000065320776 569223799 /nfs/dbraw/zinc/22/37/99/569223799.db2.gz VXXIBPUDGHPEIR-KRWDZBQOSA-N 0 0 417.918 4.533 50 0 HJAARN O=C(Cc1cccs1)Nc1c(-c2ccccc2)nc2sc(N3CCCCC3)nn21 ZINC000065320944 569224069 /nfs/dbraw/zinc/22/40/69/569224069.db2.gz LACJAZKATXVOJP-UHFFFAOYSA-N 0 0 423.567 4.691 50 0 HJAARN Cc1sc(C(=O)N2CCCC2)c2ncnc(NCc3ccc(F)c(Cl)c3)c12 ZINC000065321177 569224247 /nfs/dbraw/zinc/22/42/47/569224247.db2.gz QQTCCOAYTNFUMN-UHFFFAOYSA-N 0 0 404.898 4.640 50 0 HJAARN CCCCN1C[C@@H](c2nc3ccccc3n2CCOc2cc(C)cc(C)c2)CC1=O ZINC000065322503 569224684 /nfs/dbraw/zinc/22/46/84/569224684.db2.gz UIGGEOAZPKPJKW-FQEVSTJZSA-N 0 0 405.542 4.848 50 0 HJAARN CCN(CC)c1ccc(NC(=O)[C@H]2CCCN(c3nc4cccnc4s3)C2)c(C)c1 ZINC000065330753 569225119 /nfs/dbraw/zinc/22/51/19/569225119.db2.gz CPRXGNPQQOHPBO-KRWDZBQOSA-N 0 0 423.586 4.701 50 0 HJAARN COc1ccc2c(c1)NC1(CCN(C(=O)Nc3ccc(C)c(F)c3)CC1)c1cccn1-2 ZINC000065330876 569225154 /nfs/dbraw/zinc/22/51/54/569225154.db2.gz NGSZHQBNLQXPCQ-UHFFFAOYSA-N 0 0 420.488 4.882 50 0 biogenic HJAARN COc1cc(-c2nnc(SCCOc3cc(C)cc(C)c3)o2)cc(OC)c1OC ZINC000007161217 569226904 /nfs/dbraw/zinc/22/69/04/569226904.db2.gz DTKGOCRULUKMDD-UHFFFAOYSA-N 0 0 416.499 4.550 50 0 HJAARN O=C(Nc1cccnc1Oc1ccccc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000036761101 569227134 /nfs/dbraw/zinc/22/71/34/569227134.db2.gz QUYVLJZZMZCHHW-UHFFFAOYSA-N 0 0 419.456 4.504 50 0 HJAARN Cc1occc1-c1nnc(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)o1 ZINC000007194079 569228318 /nfs/dbraw/zinc/22/83/18/569228318.db2.gz IVUGZVZWENYOFG-GFCCVEGCSA-N 0 0 401.513 4.648 50 0 HJAARN C[C@@H](OC(=O)c1ccccc1NCc1ccco1)C(=O)Nc1ccc(Cl)cc1F ZINC000007197278 569228337 /nfs/dbraw/zinc/22/83/37/569228337.db2.gz XQWGCAKBTLNBKW-CYBMUJFWSA-N 0 0 416.836 4.868 50 0 HJAARN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000007217471 569229279 /nfs/dbraw/zinc/22/92/79/569229279.db2.gz AXRYXJJPYUBWHK-HNNXBMFYSA-N 0 0 412.458 4.841 50 0 HJAARN C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000007362269 569235469 /nfs/dbraw/zinc/23/54/69/569235469.db2.gz YBUDUTYCCCHUDI-INIZCTEOSA-N 0 0 418.566 4.812 50 0 HJAARN COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2cccs2)cc1 ZINC000007408673 569237007 /nfs/dbraw/zinc/23/70/07/569237007.db2.gz YEIMKIWWYAEPGW-QFIPXVFZSA-N 0 0 409.507 4.562 50 0 HJAARN COc1ccc(C)c2sc(N(CCCn3ccnc3)C(=O)c3cccs3)nc21 ZINC000007424785 569237956 /nfs/dbraw/zinc/23/79/56/569237956.db2.gz LWSKNNTUNROPKQ-UHFFFAOYSA-N 0 0 412.540 4.608 50 0 HJAARN O=C(c1cccs1)N(CCCn1ccnc1)c1nc2c(cccc2Cl)s1 ZINC000007424456 569237979 /nfs/dbraw/zinc/23/79/79/569237979.db2.gz ICOAJPGIJNOEJK-UHFFFAOYSA-N 0 0 402.932 4.945 50 0 HJAARN CC1CCC(N(C)C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)CC1 ZINC000007427766 569238543 /nfs/dbraw/zinc/23/85/43/569238543.db2.gz WVWJJHPIUPYDHR-UHFFFAOYSA-N 0 0 402.539 4.548 50 0 HJAARN COc1ccc(-c2nnc([C@@H](C)OC(=O)c3c4c(nc5ccccc53)CCC4)o2)cc1 ZINC000007477465 569240347 /nfs/dbraw/zinc/24/03/47/569240347.db2.gz WMJBBBREKFOVIK-CQSZACIVSA-N 0 0 415.449 4.700 50 0 HJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1cccc(C)c1)CC2 ZINC000037215264 569240496 /nfs/dbraw/zinc/24/04/96/569240496.db2.gz IYUUVDBHZZOGIW-XMMPIXPASA-N 0 0 422.550 4.660 50 0 HJAARN CCc1ccc(C2=CCN(CC(=O)N[C@@H](c3nccs3)c3ccccc3)CC2)cc1 ZINC000170591532 569240588 /nfs/dbraw/zinc/24/05/88/569240588.db2.gz ONDJYLUBAYKQFF-XMMPIXPASA-N 0 0 417.578 4.700 50 0 HJAARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000170601758 569243290 /nfs/dbraw/zinc/24/32/90/569243290.db2.gz GGCDINSWLDELRP-UHFFFAOYSA-N 0 0 415.415 4.709 50 0 HJAARN Cc1ccccc1C(=O)N1CCN(c2ccc(Oc3ccccc3)cc2)C(=O)[C@@H]1C ZINC000037275719 569245775 /nfs/dbraw/zinc/24/57/75/569245775.db2.gz UVBBIBWXUFQJHY-IBGZPJMESA-N 0 0 400.478 4.665 50 0 HJAARN CCN(C(=O)c1ccccc1N1CCC(NC(=O)C(C)(C)C)CC1)C1CCCCC1 ZINC000037277390 569246010 /nfs/dbraw/zinc/24/60/10/569246010.db2.gz OKWZNEIOLCMFQO-UHFFFAOYSA-N 0 0 413.606 4.613 50 0 HJAARN Cc1nc(-c2ccccn2)sc1C(=O)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC000170613715 569246810 /nfs/dbraw/zinc/24/68/10/569246810.db2.gz LZFKIQIIPUHLED-UHFFFAOYSA-N 0 0 413.930 4.603 50 0 HJAARN CC(C)(C)[C@H]1CC(c2cccc(Br)c2)=NN1S(=O)(=O)c1ccccc1 ZINC000170615186 569247417 /nfs/dbraw/zinc/24/74/17/569247417.db2.gz JOAFHGNTYYDTFR-GOSISDBHSA-N 0 0 421.360 4.663 50 0 HJAARN C[C@H](NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2)c1nc(C(C)(C)C)cs1 ZINC000170622299 569249253 /nfs/dbraw/zinc/24/92/53/569249253.db2.gz PMBULZZTOCDHHA-ZFWWWQNUSA-N 0 0 401.532 4.777 50 0 HJAARN CCc1ccc(-c2csc(NC(=O)c3sc(-c4cnn(C)c4)nc3C)n2)cc1 ZINC000170627080 569250284 /nfs/dbraw/zinc/25/02/84/569250284.db2.gz RBUKKJPJVOEVKJ-UHFFFAOYSA-N 0 0 409.540 4.790 50 0 HJAARN Cc1c(CS(C)(=O)=O)cccc1NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000170629729 569250829 /nfs/dbraw/zinc/25/08/29/569250829.db2.gz BQTPNDPQEVXBRY-UHFFFAOYSA-N 0 0 406.507 4.755 50 0 HJAARN CCOC(=O)[C@H](c1cc(C)cc(C)c1)[C@H]1C=C[C@@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC000037341145 569250999 /nfs/dbraw/zinc/25/09/99/569250999.db2.gz VVLFIVIBZTYUJL-NBCNXNJRSA-N 0 0 413.464 4.603 50 0 HJAARN CCOC(=O)[C@H](c1cc(C)cc(C)c1)[C@@H]1C=C[C@@H](NC(=O)c2cccc(C)c2C)C1 ZINC000037341014 569251022 /nfs/dbraw/zinc/25/10/22/569251022.db2.gz XIZPJCODBIISTD-BKULYWANSA-N 0 0 405.538 4.942 50 0 HJAARN CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2nnc(C)s2)C12CCCCC2 ZINC000071282880 569252610 /nfs/dbraw/zinc/25/26/10/569252610.db2.gz ZPVUNEROJIYEOK-KSSFIOAISA-N 0 0 412.559 4.526 50 0 HJAARN CCc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(C)cc3)c2)cc1 ZINC000010059476 569252989 /nfs/dbraw/zinc/25/29/89/569252989.db2.gz HMZVIGZVVAHLFS-UHFFFAOYSA-N 0 0 424.522 4.619 50 0 HJAARN COc1ccccc1C(=O)N1c2ncnn2[C@@H](c2ccc(C)cc2)C[C@H]1c1ccccc1 ZINC000010060314 569253112 /nfs/dbraw/zinc/25/31/12/569253112.db2.gz YWBROZUSGPSVMC-XZOQPEGZSA-N 0 0 424.504 4.976 50 0 HJAARN O=C(CCCS(=O)(=O)c1ccccc1)Nc1nc2c(ccc3ccccc23)s1 ZINC000010218238 569253611 /nfs/dbraw/zinc/25/36/11/569253611.db2.gz YVRUTFDVSQXVBF-UHFFFAOYSA-N 0 0 410.520 4.642 50 0 HJAARN O=c1nc(SCc2ccc(Cl)c(Cl)c2)c2c(n1C[C@H]1CCCO1)CCC2 ZINC000010255432 569254072 /nfs/dbraw/zinc/25/40/72/569254072.db2.gz LVPJJUVOBBDOPQ-CYBMUJFWSA-N 0 0 411.354 4.510 50 0 HJAARN O=C(COc1ccccc1)N(Cc1ccncc1)c1nc2ccc(Cl)cc2s1 ZINC000010254315 569254205 /nfs/dbraw/zinc/25/42/05/569254205.db2.gz QNCDEBSNFKGPIC-UHFFFAOYSA-N 0 0 409.898 4.957 50 0 HJAARN CSc1cccc(NC(=O)N2CCN(Cc3cccc(Br)c3)CC2)c1 ZINC000013320016 569254727 /nfs/dbraw/zinc/25/47/27/569254727.db2.gz UGUFUDGKEAKGGJ-UHFFFAOYSA-N 0 0 420.376 4.521 50 0 HJAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCN(CCc2ccccc2)CC1 ZINC000013320849 569254899 /nfs/dbraw/zinc/25/48/99/569254899.db2.gz XARAMEMJHWMYGJ-UHFFFAOYSA-N 0 0 411.855 4.751 50 0 HJAARN CCn1c2ccccc2c2ccc(NC(=O)[C@@H](C)Sc3ncnc4[nH]cnc43)cc21 ZINC000013571862 569255991 /nfs/dbraw/zinc/25/59/91/569255991.db2.gz DYZMGEDJPUJQIP-CYBMUJFWSA-N 0 0 416.510 4.600 50 0 HJAARN O=C(Cc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1)NCc1cccs1 ZINC000013716626 569257510 /nfs/dbraw/zinc/25/75/10/569257510.db2.gz HXQBRPULGBSSDZ-UHFFFAOYSA-N 0 0 418.440 4.878 50 0 HJAARN Cc1nc2scc(-c3cccs3)c2c(NCc2ccc(N3CCOCC3)nc2)n1 ZINC000014306836 569259388 /nfs/dbraw/zinc/25/93/88/569259388.db2.gz ZZCUZARVBVQNRU-UHFFFAOYSA-N 0 0 423.567 4.572 50 0 HJAARN Cc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)c(C)c1 ZINC000014426540 569260004 /nfs/dbraw/zinc/26/00/04/569260004.db2.gz SNGCBYIIWKANDS-IAGOWNOFSA-N 0 0 414.571 4.531 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000014429962 569260043 /nfs/dbraw/zinc/26/00/43/569260043.db2.gz ARPGSUONFQGNQP-CQSZACIVSA-N 0 0 410.823 4.850 50 0 HJAARN Cc1nn(-c2nc(CC(=O)Nc3ccccc3F)cs2)c(C)c1Cc1ccccc1 ZINC000014609261 569260659 /nfs/dbraw/zinc/26/06/59/569260659.db2.gz ASRSFGUJUIDXNG-UHFFFAOYSA-N 0 0 420.513 4.857 50 0 HJAARN COc1ccc(/C=C/C(=O)Oc2ccc(NC(=O)c3ccccc3OC)cc2)cc1 ZINC000014630758 569261120 /nfs/dbraw/zinc/26/11/20/569261120.db2.gz GOSBAQSJAXGAEC-CXUHLZMHSA-N 0 0 403.434 4.575 50 0 HJAARN CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)Nc2cccc(COCC3CC3)c2)C1 ZINC000089661871 569262052 /nfs/dbraw/zinc/26/20/52/569262052.db2.gz JIOOYPQMCNXFHM-QGZVFWFLSA-N 0 0 402.535 4.589 50 0 HJAARN Cc1noc(C)c1COc1ccc(CC(=O)NCCSCc2ccsc2)cc1 ZINC000016786416 569263027 /nfs/dbraw/zinc/26/30/27/569263027.db2.gz FQJCAKBXYYEMEW-UHFFFAOYSA-N 0 0 416.568 4.524 50 0 HJAARN CSc1ccc(-c2noc(-c3ccc(CS(=O)(=O)c4ccccc4)o3)n2)cc1 ZINC000016846997 569265131 /nfs/dbraw/zinc/26/51/31/569265131.db2.gz MUDMWZZPNMPDPZ-UHFFFAOYSA-N 0 0 412.492 4.692 50 0 HJAARN O=C([C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CCC[C@@H]1c1cccs1 ZINC000089799965 569266121 /nfs/dbraw/zinc/26/61/21/569266121.db2.gz XUYXTOPJCSQAJQ-CZUORRHYSA-N 0 0 409.338 4.772 50 0 HJAARN O=C(COC(=O)c1ccccc1OCc1ccccc1)Nc1ccc2c(c1)CCC2 ZINC000089840314 569267008 /nfs/dbraw/zinc/26/70/08/569267008.db2.gz GLBHKALSZRRPHJ-UHFFFAOYSA-N 0 0 401.462 4.550 50 0 HJAARN O=C(CSc1nc2ccccc2c2nc(-c3ccsc3)nn21)N1CCCCCC1 ZINC000089872970 569267460 /nfs/dbraw/zinc/26/74/60/569267460.db2.gz OZNXCCUONNYKDW-UHFFFAOYSA-N 0 0 423.567 4.501 50 0 HJAARN CC(C)Cn1ncc(NC(=O)[C@@H](OCC(F)(F)F)c2ccccc2)c1C(F)F ZINC000089856653 569267472 /nfs/dbraw/zinc/26/74/72/569267472.db2.gz FDLCLKPDTAHKCM-HNNXBMFYSA-N 0 0 405.367 4.735 50 0 HJAARN O=C(c1ccoc1)N1N=C(C2CC2)C[C@H]1c1cc2cc3c(cc2nc1Cl)OCO3 ZINC000089885112 569267700 /nfs/dbraw/zinc/26/77/00/569267700.db2.gz DUUKMDIAUSAGAZ-KRWDZBQOSA-N 0 0 409.829 4.563 50 0 HJAARN COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1 ZINC000016943162 569267921 /nfs/dbraw/zinc/26/79/21/569267921.db2.gz OADTVVOEXVQPLD-UHFFFAOYSA-N 0 0 416.477 4.549 50 0 HJAARN CSc1cccc(NC(=O)Cc2csc(NC(=O)NC3CCCCC3)n2)c1 ZINC000016975399 569269934 /nfs/dbraw/zinc/26/99/34/569269934.db2.gz XRRFEFCFFHZJRL-UHFFFAOYSA-N 0 0 404.561 4.500 50 0 HJAARN Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)c1cc2ccccc2oc1=O ZINC000016992054 569270717 /nfs/dbraw/zinc/27/07/17/569270717.db2.gz VJRWBDMTPSOPOB-UHFFFAOYSA-N 0 0 424.909 4.851 50 0 HJAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CCC3)cc1C ZINC000017010261 569271227 /nfs/dbraw/zinc/27/12/27/569271227.db2.gz ULKRNZCSPOJREX-UHFFFAOYSA-N 0 0 424.522 4.599 50 0 HJAARN COc1cc(C)ccc1NC(=O)Cc1csc(NC(=O)c2ccc(Cl)cc2)n1 ZINC000017026465 569271822 /nfs/dbraw/zinc/27/18/22/569271822.db2.gz PYFOPWSFMYHEBW-UHFFFAOYSA-N 0 0 415.902 4.547 50 0 HJAARN CCCCCC(=O)N1CCN(c2cc(Oc3cc(C)ccc3Cl)ncn2)C[C@H]1C ZINC000037356351 569272774 /nfs/dbraw/zinc/27/27/74/569272774.db2.gz IKUOTLONBAYAIS-QGZVFWFLSA-N 0 0 416.953 4.848 50 0 HJAARN Cc1nc(C(C)(C)NC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)sc1C ZINC000170633714 569274855 /nfs/dbraw/zinc/27/48/55/569274855.db2.gz XSVYRVUDGCCQDK-CHWSQXEVSA-N 0 0 420.554 4.569 50 0 HJAARN Cc1cccc(C(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000017122627 569275260 /nfs/dbraw/zinc/27/52/60/569275260.db2.gz AVDBOOHNZZFCMH-IBGZPJMESA-N 0 0 419.955 4.655 50 0 HJAARN COc1ccccc1-c1nc(NCc2ccccc2)nc2nn(-c3ccccc3)c(N)c21 ZINC000037358620 569276711 /nfs/dbraw/zinc/27/67/11/569276711.db2.gz SQJWGAFZFSQUQX-UHFFFAOYSA-N 0 0 422.492 4.685 50 0 HJAARN Cc1cc(=O)oc2c(C)c(OC(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)ccc12 ZINC000002092057 569280608 /nfs/dbraw/zinc/28/06/08/569280608.db2.gz HEFISVMZNSPVPE-FQEVSTJZSA-N 0 0 423.465 4.581 50 0 biogenic HJAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000000843644 569282255 /nfs/dbraw/zinc/28/22/55/569282255.db2.gz WXDUNGYJXQGYNK-SQJMNOBHSA-N 0 0 416.477 4.955 50 0 HJAARN CCOC(=O)c1oc2cc(OC(C)=O)c(CC)cc2c(=O)c1-c1cc2ccccc2o1 ZINC000002124495 569286114 /nfs/dbraw/zinc/28/61/14/569286114.db2.gz LTBIQQUJTHTRBD-UHFFFAOYSA-N 0 0 420.417 4.871 50 0 biogenic HJAARN COc1cc2c(cc1OC)-c1cc(Oc3cc(C)ccc3C(C)C)nc(=O)n1CC2 ZINC000002132075 569287228 /nfs/dbraw/zinc/28/72/28/569287228.db2.gz HQKDOKKVYTWDES-UHFFFAOYSA-N 0 0 406.482 4.708 50 0 biogenic HJAARN O=c1c2ccccc2oc(-c2ccc(Cl)cc2)c1OS(=O)(=O)c1ccccc1 ZINC000002131395 569287280 /nfs/dbraw/zinc/28/72/80/569287280.db2.gz ITYVLHRJGVFPTL-UHFFFAOYSA-N 0 0 412.850 4.881 50 0 HJAARN CCOC(=O)c1sc(NC(=O)Cc2ccc(SC)cc2)nc1-c1ccccc1 ZINC000007597690 569287822 /nfs/dbraw/zinc/28/78/22/569287822.db2.gz BGQONHQQMPUWDP-UHFFFAOYSA-N 0 0 412.536 4.890 50 0 HJAARN COC(=O)c1c(C(=O)OC)c2c3ccccc3ccn2c1C(=O)c1ccccc1Cl ZINC000002544863 569288421 /nfs/dbraw/zinc/28/84/21/569288421.db2.gz QYXZAIYVHQDJBR-UHFFFAOYSA-N 0 0 421.836 4.550 50 0 HJAARN CCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)c12 ZINC000002147221 569289732 /nfs/dbraw/zinc/28/97/32/569289732.db2.gz WBHNOPSYPKVOAK-MRXNPFEDSA-N 0 0 417.502 4.653 50 0 biogenic HJAARN Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1ccc(OCc2cccc(Cl)c2)cc1 ZINC000252494636 569290760 /nfs/dbraw/zinc/29/07/60/569290760.db2.gz OARJEEXMCWXZMX-UHFFFAOYSA-N 0 0 424.888 4.573 50 0 HJAARN Cc1ccccc1[C@H](O)CNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000252512115 569291929 /nfs/dbraw/zinc/29/19/29/569291929.db2.gz MRPHHDIJVGXWPB-LVCYWYKZSA-N 0 0 411.933 4.648 50 0 HJAARN CO[C@@](F)(C(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccccc1)C(F)(F)F ZINC000002192633 569293882 /nfs/dbraw/zinc/29/38/82/569293882.db2.gz XXBDGXUPUKXXQM-IBGZPJMESA-N 0 0 407.367 4.661 50 0 HJAARN CSCC[C@@H](NC(=O)c1cc(C(C)C)nc2onc(C)c21)c1nc2ccccc2[nH]1 ZINC000252570439 569294328 /nfs/dbraw/zinc/29/43/28/569294328.db2.gz WTJANUHNUAZAJW-QGZVFWFLSA-N 0 0 423.542 4.755 50 0 HJAARN CCC(=O)O[C@H]1N=C(c2ccccc2Cl)c2cc(Br)ccc2NC1=O ZINC000002197613 569294770 /nfs/dbraw/zinc/29/47/70/569294770.db2.gz ZUVZBTSEBFDTFI-GOSISDBHSA-N 0 0 421.678 4.821 50 0 HJAARN O=C(NCc1nnc2c3ccccc3c(-c3ccccc3)nn12)c1ccc(Cl)cc1 ZINC000002200320 569295400 /nfs/dbraw/zinc/29/54/00/569295400.db2.gz AGOMNVPFWJLPBP-UHFFFAOYSA-N 0 0 413.868 4.528 50 0 HJAARN Cc1nc(-c2cccc(NC(=O)[C@H]3CC(c4ccc(Cl)s4)=NO3)c2)oc1C ZINC000065797667 569295570 /nfs/dbraw/zinc/29/55/70/569295570.db2.gz ZIHKCBMTAOCYLU-OAHLLOKOSA-N 0 0 401.875 4.805 50 0 HJAARN CCC[C@H](C(=O)NCc1cccnc1)n1c(Cc2ccccc2F)nc2ccccc21 ZINC000037397096 569296461 /nfs/dbraw/zinc/29/64/61/569296461.db2.gz RNOKHGLLEQGWOA-HSZRJFAPSA-N 0 0 416.500 4.819 50 0 HJAARN COc1cccc(Oc2cnc(N)nc2-c2ccc(OCc3ccccc3)cc2O)c1 ZINC000002209189 569297151 /nfs/dbraw/zinc/29/71/51/569297151.db2.gz MDHYGSWEOABZMN-UHFFFAOYSA-N 0 0 415.449 4.811 50 0 HJAARN C[C@@H](Nc1nc(C(F)(F)F)nc2ccc(Br)cc21)C1CCOCC1 ZINC000170666740 569297474 /nfs/dbraw/zinc/29/74/74/569297474.db2.gz OIZIBZMUNFTNGV-SECBINFHSA-N 0 0 404.230 4.638 50 0 HJAARN O=S(=O)(Oc1ccccc1-c1nc2ncccc2o1)c1cccc(C(F)(F)F)c1 ZINC000037427459 569298646 /nfs/dbraw/zinc/29/86/46/569298646.db2.gz HUOIVNGSOFOYCZ-UHFFFAOYSA-N 0 0 420.368 4.676 50 0 HJAARN O=C(OCCOC(=O)c1cc(-c2cccs2)nc2ccccc21)c1ccccc1 ZINC000007653360 569298985 /nfs/dbraw/zinc/29/89/85/569298985.db2.gz BRBHPMFCQZTMRA-UHFFFAOYSA-N 0 0 403.459 4.977 50 0 HJAARN O=C(C1CC1)N(Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000037441102 569299581 /nfs/dbraw/zinc/29/95/81/569299581.db2.gz LUNLSTKUFZHGSS-IBGZPJMESA-N 0 0 420.406 4.776 50 0 HJAARN CCN(C(=O)Cn1cnc2scc(-c3ccc(C)s3)c2c1=O)c1ccccc1 ZINC000007671922 569299974 /nfs/dbraw/zinc/29/99/74/569299974.db2.gz RNQSUTUFAPMKEV-UHFFFAOYSA-N 0 0 409.536 4.548 50 0 HJAARN Cc1ccc(Cn2nccc2NC(=O)c2cccnc2Sc2ccc(C)cc2)o1 ZINC000007718749 569301760 /nfs/dbraw/zinc/30/17/60/569301760.db2.gz HOPNKSWWEKAINP-UHFFFAOYSA-N 0 0 404.495 4.940 50 0 HJAARN Cc1cccc(-c2noc(CN(C(=O)c3ccccc3Br)C(C)C)n2)c1 ZINC000007720415 569302326 /nfs/dbraw/zinc/30/23/26/569302326.db2.gz MCWKTBVQVGUIJP-UHFFFAOYSA-N 0 0 414.303 4.858 50 0 HJAARN CCn1c(S[C@@H](c2ccccc2)c2ccc(Cl)cc2)nnc1N1CCOCC1 ZINC000007723012 569302691 /nfs/dbraw/zinc/30/26/91/569302691.db2.gz SPVNAFVGRDUPBK-IBGZPJMESA-N 0 0 414.962 4.670 50 0 HJAARN Cc1c(Cl)cccc1N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@@H](C)C1=O ZINC000037520000 569302855 /nfs/dbraw/zinc/30/28/55/569302855.db2.gz QYLLSHCPQWJTDL-ZDUSSCGKSA-N 0 0 410.823 4.545 50 0 HJAARN COc1ccccc1CN(C)C(=O)c1ccccc1CSc1nc(C)cc(C)n1 ZINC000007737621 569304816 /nfs/dbraw/zinc/30/48/16/569304816.db2.gz VZKGOIOREWBFGQ-UHFFFAOYSA-N 0 0 407.539 4.667 50 0 HJAARN CCCNC(=O)c1cc2scc(Br)c2n1CCOc1ccccc1 ZINC000037542276 569305062 /nfs/dbraw/zinc/30/50/62/569305062.db2.gz VGRKMLXREWUXHW-UHFFFAOYSA-N 0 0 407.333 4.684 50 0 HJAARN Cc1ccc(C(=O)OCC(=O)c2ccc(Cl)s2)cc1NC(=O)c1ccco1 ZINC000007736714 569305063 /nfs/dbraw/zinc/30/50/63/569305063.db2.gz SWOZDOGQSLKFHX-UHFFFAOYSA-N 0 0 403.843 4.595 50 0 HJAARN CCCNC(=O)c1cc2sc(Br)cc2n1Cc1ccc(OC)cc1 ZINC000037544272 569305405 /nfs/dbraw/zinc/30/54/05/569305405.db2.gz SPJNUNVHSPORHH-UHFFFAOYSA-N 0 0 407.333 4.662 50 0 HJAARN Cc1cc2nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c3ccccc3n2n1 ZINC000007737975 569305616 /nfs/dbraw/zinc/30/56/16/569305616.db2.gz DAPFZLUBBXRADD-UHFFFAOYSA-N 0 0 411.431 4.536 50 0 HJAARN CCNC(=O)Cc1ccc(N(Cc2cccc(C)c2)C(=O)c2ccc(C)cc2)cc1 ZINC000037555397 569306375 /nfs/dbraw/zinc/30/63/75/569306375.db2.gz HXLJBRPGZHCVAO-UHFFFAOYSA-N 0 0 400.522 4.829 50 0 HJAARN CC(C)NC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2cccc(F)c2)cc1 ZINC000037556752 569306455 /nfs/dbraw/zinc/30/64/55/569306455.db2.gz SSPQOCFAMNJJDQ-UHFFFAOYSA-N 0 0 422.475 4.879 50 0 HJAARN CCNC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)/C=C/c2ccccc2)cc1 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CCCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1COc1ccc(CC)cc1 ZINC000003006545 569322777 /nfs/dbraw/zinc/32/27/77/569322777.db2.gz UKWSDRVJFHLVBE-JOCHJYFZSA-N 0 0 411.542 4.961 50 0 HJAARN CCCC(=O)Oc1ccc(N(C(=O)CCC)S(=O)(=O)c2ccccc2)cc1Cl ZINC000003184957 569323025 /nfs/dbraw/zinc/32/30/25/569323025.db2.gz KIFWRKYTXZWNEJ-UHFFFAOYSA-N 0 0 423.918 4.568 50 0 HJAARN CCOC(=O)c1c2c(sc1NC(=O)CSc1cn(C)c3ccccc13)CCC2 ZINC000003581796 569323089 /nfs/dbraw/zinc/32/30/89/569323089.db2.gz IXEVHKAOCHLBTD-UHFFFAOYSA-N 0 0 414.552 4.636 50 0 HJAARN Cc1ccc(-c2nn(CCC(=O)N[C@H](C)c3ccccc3)c(=O)c3ccccc32)cc1 ZINC000002262973 569325452 /nfs/dbraw/zinc/32/54/52/569325452.db2.gz NZJPDTKQASCWGH-LJQANCHMSA-N 0 0 411.505 4.639 50 0 HJAARN CC(=O)c1ccc(-n2c(N)c(C(=O)OCCC(C)C)c3nc4ccccc4nc32)cc1 ZINC000002253457 569326112 /nfs/dbraw/zinc/32/61/12/569326112.db2.gz ASHGCDHPUGDBPO-UHFFFAOYSA-N 0 0 416.481 4.561 50 0 HJAARN CCOC(=O)c1c(NC(=O)c2ccccc2OC)sc2c1CC(C)(C)SC2 ZINC000002270790 569326501 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/nfs/dbraw/zinc/39/83/67/569398367.db2.gz PYQBNQUHTSAWJJ-UHFFFAOYSA-N 0 0 407.495 4.973 50 0 HJAARN CC(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000002431757 569399175 /nfs/dbraw/zinc/39/91/75/569399175.db2.gz GZUCGLBYQLLTOL-GCJKJVERSA-N 0 0 403.478 4.641 50 0 HJAARN COc1cc(-c2nc3nc4ccccc4nc3n2CCC(C)C)cc(OC)c1OC ZINC000002436872 569399784 /nfs/dbraw/zinc/39/97/84/569399784.db2.gz CZFDWVWWNVVONE-UHFFFAOYSA-N 0 0 406.486 4.718 50 0 HJAARN C[C@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000027873420 569400544 /nfs/dbraw/zinc/40/05/44/569400544.db2.gz LZGJTEMWSDYURM-HRAATJIYSA-N 0 0 409.917 4.549 50 0 HJAARN O=C(c1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1ncc(C(F)(F)F)cc1Cl ZINC000081225744 569400790 /nfs/dbraw/zinc/40/07/90/569400790.db2.gz KHEJSTVXOCHUEB-UHFFFAOYSA-N 0 0 421.593 4.872 50 0 HJAARN Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3C)oc2NCc2ccco2)cc1 ZINC000012419133 569401116 /nfs/dbraw/zinc/40/11/16/569401116.db2.gz KDEJIHPMRFLDQG-UHFFFAOYSA-N 0 0 408.479 4.996 50 0 HJAARN 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/nfs/dbraw/zinc/57/05/63/557570563.db2.gz DCGGARODKTUMBW-UHFFFAOYSA-N 0 0 405.288 4.800 50 0 HJAARN COC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2C)sc2c1CCC2 ZINC000004614351 557572530 /nfs/dbraw/zinc/57/25/30/557572530.db2.gz JTFOUTDTXDTRDB-UHFFFAOYSA-N 0 0 407.919 4.783 50 0 HJAARN CCOC(=O)[C@]12C(=O)Oc3ccc4ccccc4c3[C@H]1[C@@]2(CC)C(=O)c1ccccc1 ZINC000004629060 557574422 /nfs/dbraw/zinc/57/44/22/557574422.db2.gz KFUVAVPTEKAKJX-MZBJOSPHSA-N 0 0 414.457 4.685 50 0 HJAARN O=C(CN1CCc2ccccc2C1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000004698563 557582790 /nfs/dbraw/zinc/58/27/90/557582790.db2.gz HRZSAFRGOHKALQ-UHFFFAOYSA-N 0 0 402.338 4.721 50 0 biogenic,in-vitro HJAARN COc1cc(SC)ccc1C(=O)NC(C)(C)COC12CC3CC(CC(C3)C1)C2 ZINC000004727779 557587697 /nfs/dbraw/zinc/58/76/97/557587697.db2.gz LCEUTFMNLWAYQK-UHFFFAOYSA-N 0 0 403.588 4.911 50 0 HJAARN CCCC1=Nc2nc3ccccc3n2[C@@H](c2cc(OC)ccc2OC)C1C(=O)OCC ZINC000004735591 557589004 /nfs/dbraw/zinc/58/90/04/557589004.db2.gz IUBHUAJQKBMSTO-QFIPXVFZSA-N 0 0 421.497 4.686 50 0 HJAARN COc1ccc(CCNc2ncc3c(n2)C[C@H](c2cccc(Cl)c2)CC3=O)cc1 ZINC000004741301 557590651 /nfs/dbraw/zinc/59/06/51/557590651.db2.gz VYOBORMSNLOFTJ-KRWDZBQOSA-N 0 0 407.901 4.706 50 0 HJAARN O=S(=O)(NCCOC12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)Cc1ccccc1-2 ZINC000004751248 557592922 /nfs/dbraw/zinc/59/29/22/557592922.db2.gz JFAYJPGCVKMEKI-UHFFFAOYSA-N 0 0 423.578 4.522 50 0 HJAARN COc1cc(NC(C)=O)c(Cl)cc1C(=O)Nc1ccc(Br)c(C)c1 ZINC000004783393 557597592 /nfs/dbraw/zinc/59/75/92/557597592.db2.gz PVBMWOSOXZPUOS-UHFFFAOYSA-N 0 0 411.683 4.630 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)Nc1ccccc1I ZINC000004795960 557598552 /nfs/dbraw/zinc/59/85/52/557598552.db2.gz MVGSPRNIMPAXQZ-UHFFFAOYSA-N 0 0 402.619 4.597 50 0 HJAARN CCCN1CCc2c(sc(NC(=S)Nc3ccccc3)c2C(=O)OCC)C1 ZINC000004817138 557601467 /nfs/dbraw/zinc/60/14/67/557601467.db2.gz FLIYPTCLHYBSSA-UHFFFAOYSA-N 0 0 403.573 4.502 50 0 HJAARN C[C@H]1CCCCN1C(=O)c1ccccc1NC(=O)c1cccc(Br)c1 ZINC000004841231 557605069 /nfs/dbraw/zinc/60/50/69/557605069.db2.gz YODPUSNSHXPUIZ-AWEZNQCLSA-N 0 0 401.304 4.716 50 0 HJAARN Cc1ccccc1NC(=O)N(CC(=O)N(Cc1ccco1)Cc1ccccc1)C1CC1 ZINC000004912192 557612845 /nfs/dbraw/zinc/61/28/45/557612845.db2.gz DULDNWAZRRYMRW-UHFFFAOYSA-N 0 0 417.509 4.813 50 0 HJAARN CCC(CC)COC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1cc(OC)ccc1OC)C2 ZINC000004912796 557613065 /nfs/dbraw/zinc/61/30/65/557613065.db2.gz CCAJABQRIQXUEH-INIZCTEOSA-N 0 0 413.514 4.846 50 0 HJAARN Cc1ccc(COC(=O)C2=C(C)NC(=O)C[C@@H]2c2ccccc2C(F)(F)F)cc1 ZINC000004916700 557614111 /nfs/dbraw/zinc/61/41/11/557614111.db2.gz TUUISDSKUJWLRB-QGZVFWFLSA-N 0 0 403.400 4.635 50 0 HJAARN CCOC(=O)c1cc(C(CC)CC)n(-c2ccc(C(=O)N3CCC[C@H](C)C3)cc2)n1 ZINC000022650657 557614227 /nfs/dbraw/zinc/61/42/27/557614227.db2.gz KKVJBEUMHBEYSF-KRWDZBQOSA-N 0 0 411.546 4.825 50 0 HJAARN Cc1cc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)ccc1Cl ZINC000005008058 557624824 /nfs/dbraw/zinc/62/48/24/557624824.db2.gz ZPFWLYKXODAASR-UHFFFAOYSA-N 0 0 400.887 4.980 50 0 HJAARN C[C@H]1CCCCN1C(=O)CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2 ZINC000005017863 557626289 /nfs/dbraw/zinc/62/62/89/557626289.db2.gz SBLGFTRUKOSZJQ-ZDUSSCGKSA-N 0 0 421.488 4.754 50 0 HJAARN CCc1nnc2sc(-c3ccc(C)c(NC(=O)Cc4ccc(Cl)cc4)c3)nn12 ZINC000005050486 557630393 /nfs/dbraw/zinc/63/03/93/557630393.db2.gz QMORYMRRYYJPTJ-UHFFFAOYSA-N 0 0 411.918 4.558 50 0 HJAARN COc1ccc([C@@H]2CC(=O)N(CC(=O)Nc3ccccc3)c3ccccc3S2)cc1 ZINC000005053274 557630990 /nfs/dbraw/zinc/63/09/90/557630990.db2.gz BHPNDMFDEVCWRW-QFIPXVFZSA-N 0 0 418.518 4.904 50 0 HJAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)N(CC)Cc2ccccc2)c1C ZINC000005054080 557631346 /nfs/dbraw/zinc/63/13/46/557631346.db2.gz ZKXZZYZHNHUBHX-UHFFFAOYSA-N 0 0 418.537 4.997 50 0 HJAARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2c(Cl)cccc2Cl)NC(=S)N1 ZINC000005059452 557632093 /nfs/dbraw/zinc/63/20/93/557632093.db2.gz BJZAXZOXPGOKCI-INIZCTEOSA-N 0 0 410.301 4.564 50 0 HJAARN O=C1[C@H]2[C@H](C(=O)N1C13CC4CC(CC(C4)C1)C3)C1c3ccccc3C2c2ccccc21 ZINC000005091180 557634652 /nfs/dbraw/zinc/63/46/52/557634652.db2.gz LPFANHDQIVJQML-ZYOQFNSSSA-N 0 0 409.529 4.847 50 0 HJAARN CC(=O)c1ccc(NC(=O)C(=Cc2ccccc2)NC(=O)c2ccccc2Cl)cc1 ZINC000005101596 557635845 /nfs/dbraw/zinc/63/58/45/557635845.db2.gz VOLRVDAZGZFBIC-PXLXIMEGSA-N 0 0 418.880 4.952 50 0 HJAARN CCCCC(=O)N[C@@H](NC(=S)Nc1ccc(C)cc1C)C(Cl)(Cl)Cl ZINC000005261154 557642411 /nfs/dbraw/zinc/64/24/11/557642411.db2.gz BQVVCAXTRJRTQB-AWEZNQCLSA-N 0 0 410.798 4.593 50 0 HJAARN C[C@@H]1CO[C@@](Cn2cncn2)(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)O1 ZINC000005735820 557671728 /nfs/dbraw/zinc/67/17/28/557671728.db2.gz BQYJATMQXGBDHF-BFUOFWGJSA-N 0 0 406.269 4.666 50 0 in-vitro HJAARN C[C@@H]1CO[C@](Cn2cncn2)(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)O1 ZINC000005735826 557671731 /nfs/dbraw/zinc/67/17/31/557671731.db2.gz BQYJATMQXGBDHF-YJYMSZOUSA-N 0 0 406.269 4.666 50 0 in-vitro HJAARN COc1cccc(CNc2ccc3[nH]c(=O)[nH]c3c2)c1OCc1ccc(Cl)cc1 ZINC000005738873 557671988 /nfs/dbraw/zinc/67/19/88/557671988.db2.gz DYDHMVTWFXUVQE-UHFFFAOYSA-N 0 0 409.873 4.709 50 0 HJAARN O=C(C[C@H]1Sc2ccccc2NC1=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000022656311 557673555 /nfs/dbraw/zinc/67/35/55/557673555.db2.gz XTDNDWVNINMNFY-IFMALSPDSA-N 0 0 402.519 4.590 50 0 HJAARN CCCc1ccc(OCCNC(=O)[C@H](Cc2ccc(O)cc2)c2ccccc2)cc1 ZINC000005794177 557674769 /nfs/dbraw/zinc/67/47/69/557674769.db2.gz LMDAUOPQDFCWRD-RUZDIDTESA-N 0 0 403.522 4.866 50 0 HJAARN COc1cccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3C(C)C)c1 ZINC000005911438 557680642 /nfs/dbraw/zinc/68/06/42/557680642.db2.gz DZEYFWGLHPABMK-ICSRJNTNSA-N 0 0 401.304 4.983 50 0 HJAARN COc1cccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3C(C)C)c1 ZINC000005911389 557680710 /nfs/dbraw/zinc/68/07/10/557680710.db2.gz DZEYFWGLHPABMK-AZUAARDMSA-N 0 0 401.304 4.983 50 0 HJAARN CCOc1ccc(S(=O)(=O)Nc2ccc(-c3cn4ccc(C)cc4n3)cc2)cc1 ZINC000006143563 557690662 /nfs/dbraw/zinc/69/06/62/557690662.db2.gz ILOTWUWVHWYLTG-UHFFFAOYSA-N 0 0 407.495 4.509 50 0 HJAARN O=C(COc1ccc(Oc2ccccc2)cc1)NCc1cccc(NC(=O)C2CC2)c1 ZINC000010580243 557707934 /nfs/dbraw/zinc/70/79/34/557707934.db2.gz GVRITJFFDNQTLT-UHFFFAOYSA-N 0 0 416.477 4.523 50 0 HJAARN CCCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1ccc(C)s1 ZINC000006728006 557717664 /nfs/dbraw/zinc/71/76/64/557717664.db2.gz DVTQQJZQDFEKQV-LJQANCHMSA-N 0 0 412.540 4.855 50 0 HJAARN CCCc1nnc2n1N[C@@H](c1ccc(C)cc1)[C@H](C(=O)Nc1cccc(C)c1C)S2 ZINC000006812229 557724023 /nfs/dbraw/zinc/72/40/23/557724023.db2.gz ZZNTWNLYBQRVBK-LEWJYISDSA-N 0 0 421.570 4.554 50 0 HJAARN CCCc1nnc2n1N[C@H](c1ccc(C)cc1)[C@H](C(=O)Nc1ccc(C)cc1C)S2 ZINC000006812260 557724151 /nfs/dbraw/zinc/72/41/51/557724151.db2.gz XKYLZLCGKOXZGC-NHCUHLMSSA-N 0 0 421.570 4.554 50 0 HJAARN Cc1cc(C)cc(N2C(=O)CS[C@@]23c2ccccc2N(Cc2ccccc2)C3=O)c1 ZINC000006997018 557732723 /nfs/dbraw/zinc/73/27/23/557732723.db2.gz WFQIPEZWGVYKFF-RUZDIDTESA-N 0 0 414.530 4.783 50 0 HJAARN Cc1csc(NC(=O)COC(=O)c2ccccc2-c2nc3ccccc3s2)n1 ZINC000010584264 557736310 /nfs/dbraw/zinc/73/63/10/557736310.db2.gz FIECLKLXTXSHTF-UHFFFAOYSA-N 0 0 409.492 4.524 50 0 HJAARN O=C(N[C@@H](Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1)c1ccc(F)cc1 ZINC000002682443 557739929 /nfs/dbraw/zinc/73/99/29/557739929.db2.gz YTBMKVWWMBSRMN-HXUWFJFHSA-N 0 0 416.374 4.895 50 0 HJAARN Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nnn1-c1cccc(C(F)(F)F)c1 ZINC000002713235 557742331 /nfs/dbraw/zinc/74/23/31/557742331.db2.gz RECDBOWWCSPHNZ-UHFFFAOYSA-N 0 0 414.309 4.866 50 0 HJAARN COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1 ZINC000002703762 557743068 /nfs/dbraw/zinc/74/30/68/557743068.db2.gz PGBFPMUOAOLEOZ-QHCPKHFHSA-N 0 0 411.457 4.855 50 0 HJAARN CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccccn2)cc1 ZINC000002704143 557743357 /nfs/dbraw/zinc/74/33/57/557743357.db2.gz AONQHECBDMRWNI-JOCHJYFZSA-N 0 0 412.445 4.645 50 0 HJAARN Cc1ccc(CN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(O)cc2)cc1 ZINC000002704528 557743425 /nfs/dbraw/zinc/74/34/25/557743425.db2.gz XOJOQGZTECCHTQ-QFIPXVFZSA-N 0 0 415.420 4.692 50 0 HJAARN Cc1ccc(CN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2cccc(O)c2)cc1 ZINC000002704527 557743459 /nfs/dbraw/zinc/74/34/59/557743459.db2.gz QGNNASAUWHBAJT-JOCHJYFZSA-N 0 0 415.420 4.692 50 0 HJAARN CCCSc1nnc(CSc2ncccn2)n1-c1cccc(C(F)(F)F)c1 ZINC000002706219 557743662 /nfs/dbraw/zinc/74/36/62/557743662.db2.gz RSEOLOSLYXTMLK-UHFFFAOYSA-N 0 0 411.478 4.871 50 0 HJAARN CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc1ccc(Br)cc1 ZINC000002721898 557747613 /nfs/dbraw/zinc/74/76/13/557747613.db2.gz YPQNEZBZBHGKHZ-UHFFFAOYSA-N 0 0 418.316 4.916 50 0 HJAARN Cc1ccc(NC(=O)COc2cccc3c2CCN(Cc2ccccc2)C3=O)c(C)c1 ZINC000002716349 557750341 /nfs/dbraw/zinc/75/03/41/557750341.db2.gz AVKRXXDSTHDBJO-UHFFFAOYSA-N 0 0 414.505 4.519 50 0 HJAARN C[C@@H]1CCc2c(sc(NC(=O)C(c3ccccc3)c3ccccc3)c2C(N)=O)C1 ZINC000002736432 557751455 /nfs/dbraw/zinc/75/14/55/557751455.db2.gz UIMRWJAOPHEOGB-OAHLLOKOSA-N 0 0 404.535 4.742 50 0 HJAARN O=C(CSc1nccc(C(F)(F)F)n1)N(Cc1ccccc1)c1ccccc1 ZINC000002731225 557754344 /nfs/dbraw/zinc/75/43/44/557754344.db2.gz UAZSISPGBLOSFT-UHFFFAOYSA-N 0 0 403.429 4.821 50 0 HJAARN COC(=O)c1cc(-c2cccc(Br)c2)nc2c1c(C)nn2-c1ccccc1 ZINC000002733630 557754921 /nfs/dbraw/zinc/75/49/21/557754921.db2.gz QENAWXPBGOQGEV-UHFFFAOYSA-N 0 0 422.282 4.945 50 0 HJAARN O=C(COc1ccccc1Cl)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000002764715 557756549 /nfs/dbraw/zinc/75/65/49/557756549.db2.gz FTVHKRGFRXFSRL-UHFFFAOYSA-N 0 0 417.896 4.888 50 0 HJAARN O=C(CSc1nccc(-c2cccs2)n1)Nc1c(F)c(F)c(F)c(F)c1F ZINC000002789817 557759773 /nfs/dbraw/zinc/75/97/73/557759773.db2.gz OGDGUPJNZULXBJ-UHFFFAOYSA-N 0 0 417.384 4.631 50 0 HJAARN Cc1ccc(OCn2ccc(C(=O)Nc3cccc(Br)c3)n2)c(C)c1 ZINC000002796459 557765310 /nfs/dbraw/zinc/76/53/10/557765310.db2.gz QBFIEZOBZASDCT-UHFFFAOYSA-N 0 0 400.276 4.551 50 0 HJAARN O=C(Nc1ccc(-c2noc(-c3ccccc3Br)n2)cc1)c1cccnc1 ZINC000002930949 557771846 /nfs/dbraw/zinc/77/18/46/557771846.db2.gz ANYNEDHECIWZOF-UHFFFAOYSA-N 0 0 421.254 4.813 50 0 HJAARN COc1ccc(CC(=O)Nc2ccc(-c3noc(-c4cccc(OC)c4)n3)cc2)cc1 ZINC000002930883 557771878 /nfs/dbraw/zinc/77/18/78/557771878.db2.gz 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Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000008396401 557785837 /nfs/dbraw/zinc/78/58/37/557785837.db2.gz XOHZLXCKDOICNT-UHFFFAOYSA-N 0 0 424.888 4.573 50 0 HJAARN Cc1nc2c(C(=O)NC3CCCCC3)cnn2c(C)c1Cc1c(F)cccc1Cl ZINC000003045373 557787148 /nfs/dbraw/zinc/78/71/48/557787148.db2.gz QQOWIEXMWZEZRB-UHFFFAOYSA-N 0 0 414.912 4.792 50 0 HJAARN C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2coc(-c3ccccc3)n2)C1=O ZINC000022705441 557795799 /nfs/dbraw/zinc/79/57/99/557795799.db2.gz QGOJUVKBHZKLSQ-FQEVSTJZSA-N 0 0 416.264 4.616 50 0 HJAARN CC(C)CCN1C(=O)N(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccc(Cl)cc1 ZINC000008583834 557795867 /nfs/dbraw/zinc/79/58/67/557795867.db2.gz KZXZMGZJISEZME-IBGZPJMESA-N 0 0 413.905 4.552 50 0 HJAARN C[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)n1nnc(-c2cccs2)n1 ZINC000008745969 557804987 /nfs/dbraw/zinc/80/49/87/557804987.db2.gz OWDPSTKRBBKCEX-AWEZNQCLSA-N 0 0 407.524 4.753 50 0 HJAARN CCc1nnc2sc(-c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)nn12 ZINC000009190260 557826903 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/nfs/dbraw/zinc/44/68/14/558446814.db2.gz KBUVQMFOYWTVQR-UHFFFAOYSA-N 0 0 420.296 4.859 50 0 HJAARN O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CCN(C(=O)c2ccncc2)CC1 ZINC000012701224 558447732 /nfs/dbraw/zinc/44/77/32/558447732.db2.gz LXRNHNGZYIFSPH-UHFFFAOYSA-N 0 0 419.912 4.893 50 0 HJAARN O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1)c1cc(-c2ccccc2)on1 ZINC000021805381 558450467 /nfs/dbraw/zinc/45/04/67/558450467.db2.gz CLMHWLJISKMDTP-NRFANRHFSA-N 0 0 409.917 4.952 50 0 HJAARN Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)no2)cc1 ZINC000021805400 558450647 /nfs/dbraw/zinc/45/06/47/558450647.db2.gz IKQCKYGIBSJIST-NRFANRHFSA-N 0 0 409.917 4.870 50 0 HJAARN O=c1nc(CN2CCc3ccccc3C2)[nH]c2scc(-c3ccc(Cl)cc3)c21 ZINC000021821788 558451218 /nfs/dbraw/zinc/45/12/18/558451218.db2.gz SOPLYLXNJOUAQD-UHFFFAOYSA-N 0 0 407.926 4.863 50 0 HJAARN COc1cccc(Nc2nc3c(cnn3C)c(Nc3ccc(OC)c(Cl)c3)n2)c1 ZINC000021873421 558453208 /nfs/dbraw/zinc/45/32/08/558453208.db2.gz LHHNIEOSDPDFIA-UHFFFAOYSA-N 0 0 410.865 4.521 50 0 HJAARN O=C(Nc1cccc(-c2ccc(F)cc2)c1)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000012715049 558454648 /nfs/dbraw/zinc/45/46/48/558454648.db2.gz FCGWRFQXERGJSW-NRFANRHFSA-N 0 0 402.469 4.984 50 0 HJAARN Cc1cccc(C)c1OCc1cc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)no1 ZINC000012716407 558455514 /nfs/dbraw/zinc/45/55/14/558455514.db2.gz HGJHFRCCQDMBFT-UHFFFAOYSA-N 0 0 418.493 4.606 50 0 HJAARN Cc1ccc(C(=O)N2CCC[C@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)cn1 ZINC000012717998 558455938 /nfs/dbraw/zinc/45/59/38/558455938.db2.gz JIKJZEGFTZVOFX-NRFANRHFSA-N 0 0 400.478 4.917 50 0 HJAARN O=C(COC(=O)c1ccc(Cl)nc1)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000010805259 558456255 /nfs/dbraw/zinc/45/62/55/558456255.db2.gz UVWRCKWAHKIGID-UHFFFAOYSA-N 0 0 417.248 4.976 50 0 HJAARN C[C@H](Oc1ccccc1)c1nc2ccccc2n1C[C@H](O)COCc1cccs1 ZINC000022081432 558462883 /nfs/dbraw/zinc/46/28/83/558462883.db2.gz XBVOBIKFYNGXKR-ROUUACIJSA-N 0 0 408.523 4.816 50 0 HJAARN Cc1ccc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)cc1Cl ZINC000012789933 558464916 /nfs/dbraw/zinc/46/49/16/558464916.db2.gz JDNMFVPUMHIQFK-UYRXBGFRSA-N 0 0 405.845 4.532 50 0 HJAARN Cc1ccc([C@@H](NCc2nc(COc3ccc(F)cc3)no2)c2ccccc2)cc1 ZINC000012790483 558465082 /nfs/dbraw/zinc/46/50/82/558465082.db2.gz XOGDGZDAKBRDFR-DEOSSOPVSA-N 0 0 403.457 4.975 50 0 HJAARN CC[C@H](NC(=O)CCn1c(=S)[nH]nc1-c1ccc(OC)cc1)c1ccc(C)cc1 ZINC000012794165 558467445 /nfs/dbraw/zinc/46/74/45/558467445.db2.gz XODORIGNLLAYAB-IBGZPJMESA-N 0 0 410.543 4.582 50 0 HJAARN COc1cc(C(C)=O)ccc1OC(=O)c1cc(-c2cccs2)nc2onc(C)c21 ZINC000022241382 558471716 /nfs/dbraw/zinc/47/17/16/558471716.db2.gz ZJAQHPRHUQTVDT-UHFFFAOYSA-N 0 0 408.435 4.690 50 0 HJAARN CCS(=O)(=O)c1c(N)c(C(=O)c2ccccc2)sc1Nc1cc(C)ccc1C ZINC000004372180 558473650 /nfs/dbraw/zinc/47/36/50/558473650.db2.gz XDCKBJGERXTFFZ-UHFFFAOYSA-N 0 0 414.552 4.715 50 0 HJAARN CCCCc1ccc(C(=O)NCCc2csc3nc(-c4ccc(F)cc4)nn23)cc1 ZINC000004374815 558475429 /nfs/dbraw/zinc/47/54/29/558475429.db2.gz SZVZHZMATGMWFT-UHFFFAOYSA-N 0 0 422.529 4.912 50 0 HJAARN O=C(CCc1nnc(-c2ccccc2)o1)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000022284239 558476223 /nfs/dbraw/zinc/47/62/23/558476223.db2.gz CNLBITFPDSHJFF-UHFFFAOYSA-N 0 0 409.449 4.647 50 0 HJAARN CCc1ccc(NC(=O)CSC2=N[C@H](C(F)(F)F)C[C@H](c3ccccc3)N2)cc1 ZINC000012848180 558479151 /nfs/dbraw/zinc/47/91/51/558479151.db2.gz PQUAZNYYMOYQGO-MSOLQXFVSA-N 0 0 421.488 4.942 50 0 HJAARN O=C(c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)N1CCc2ccccc21 ZINC000012854598 558480123 /nfs/dbraw/zinc/48/01/23/558480123.db2.gz BWOLGRCIZKTQCO-RUZDIDTESA-N 0 0 414.530 4.664 50 0 HJAARN Cc1sc2[nH]c(COC(=O)c3cc4c(s3)-c3ccccc3OC4)nc(=O)c2c1C ZINC000022357328 558482772 /nfs/dbraw/zinc/48/27/72/558482772.db2.gz AODKSIJJGIBHFA-UHFFFAOYSA-N 0 0 424.503 4.579 50 0 HJAARN O=C(c1ccc(O)cc1)C1CCN(C(=O)c2cc(Br)ccc2Cl)CC1 ZINC000022356732 558482790 /nfs/dbraw/zinc/48/27/90/558482790.db2.gz BIONPQFARKGSAM-UHFFFAOYSA-N 0 0 422.706 4.543 50 0 HJAARN CCc1ccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000004386046 558483984 /nfs/dbraw/zinc/48/39/84/558483984.db2.gz WGUOJDZPGYBDES-LJQANCHMSA-N 0 0 405.542 4.792 50 0 HJAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000012904629 558484016 /nfs/dbraw/zinc/48/40/16/558484016.db2.gz PYFVLKXEOFUNKI-QGZVFWFLSA-N 0 0 410.297 4.753 50 0 HJAARN Cc1nc(-c2ccc(C)cc2)sc1CCNS(=O)(=O)c1c(C)cc(C)cc1C ZINC000004392407 558485066 /nfs/dbraw/zinc/48/50/66/558485066.db2.gz AGQLHYGFGXMSPD-UHFFFAOYSA-N 0 0 414.596 4.873 50 0 HJAARN CCOc1ccccc1-c1noc(COc2ccc3c(c2)oc(=O)cc3C(C)C)n1 ZINC000012937547 558486720 /nfs/dbraw/zinc/48/67/20/558486720.db2.gz GSPUBNSGQNSGPB-UHFFFAOYSA-N 0 0 406.438 4.944 50 0 HJAARN CCc1ccccc1N1C[C@H](C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CC1=O ZINC000012940239 558487104 /nfs/dbraw/zinc/48/71/04/558487104.db2.gz AMANTWPGRUPWPL-YLJYHZDGSA-N 0 0 419.550 4.575 50 0 HJAARN COc1ccc(-c2nc(C(=O)N[C@H](C)c3ccc(F)c(F)c3)cs2)cc1OC ZINC000012972321 558489360 /nfs/dbraw/zinc/48/93/60/558489360.db2.gz KPSWRMYQXSXGRL-LLVKDONJSA-N 0 0 404.438 4.597 50 0 HJAARN Cc1ccc(NC(=O)c2ccsc2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000012973296 558490027 /nfs/dbraw/zinc/49/00/27/558490027.db2.gz BRQVWUIWAIHYJO-UHFFFAOYSA-N 0 0 406.916 4.763 50 0 HJAARN O=C(COc1ccc(Br)cc1F)N[C@@H](c1cccs1)c1ccccc1 ZINC000012981741 558493637 /nfs/dbraw/zinc/49/36/37/558493637.db2.gz AUZOKTVDNUYNMV-LJQANCHMSA-N 0 0 420.303 4.934 50 0 HJAARN COc1ccc(C(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc3nccnc3c2)cc1 ZINC000012981278 558493639 /nfs/dbraw/zinc/49/36/39/558493639.db2.gz WTVBWLNRYGUMJA-DEOSSOPVSA-N 0 0 408.461 4.630 50 0 HJAARN Fc1ccc(-c2nc(Cn3nnc(-c4cccc(C(F)(F)F)c4)n3)cs2)cc1 ZINC000012999738 558499869 /nfs/dbraw/zinc/49/98/69/558499869.db2.gz AKXRRPHMAODHQJ-UHFFFAOYSA-N 0 0 405.380 4.670 50 0 HJAARN CC(C)N(CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1c(F)cccc1F ZINC000004406026 558501332 /nfs/dbraw/zinc/50/13/32/558501332.db2.gz YFSBPTNNUGMDEK-OAQYLSRUSA-N 0 0 408.489 4.589 50 0 HJAARN O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1cncc(Br)c1 ZINC000022615225 558502495 /nfs/dbraw/zinc/50/24/95/558502495.db2.gz QMOCSHZQGSEFCO-UHFFFAOYSA-N 0 0 409.589 4.691 50 0 HJAARN O=C(NCc1ccc2c(c1)OCCO2)c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000013020737 558504636 /nfs/dbraw/zinc/50/46/36/558504636.db2.gz RTCCPHMYUWXJKE-UHFFFAOYSA-N 0 0 418.474 4.771 50 0 HJAARN CCOc1ccc(-c2nc(CN(C)CC(=O)Nc3ccc(Cl)cc3)cs2)cc1 ZINC000013038968 558505898 /nfs/dbraw/zinc/50/58/98/558505898.db2.gz JZLUBMYCRXVIFF-UHFFFAOYSA-N 0 0 415.946 4.933 50 0 HJAARN Cc1cccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1C ZINC000013039560 558506150 /nfs/dbraw/zinc/50/61/50/558506150.db2.gz CRWGVQSXZAGSFP-CQSZACIVSA-N 0 0 408.329 4.508 50 0 HJAARN CCOc1ccc(C(C)=O)cc1CN1C(=O)N[C@](C)(c2ccc(C(C)(C)C)cc2)C1=O ZINC000013041829 558507694 /nfs/dbraw/zinc/50/76/94/558507694.db2.gz AACXFLUYAOZLFJ-RUZDIDTESA-N 0 0 422.525 4.553 50 0 HJAARN CN(C)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000013074140 558512127 /nfs/dbraw/zinc/51/21/27/558512127.db2.gz HHARKSYVVYNONJ-UHFFFAOYSA-N 0 0 412.355 4.591 50 0 HJAARN Cc1cc(C(=O)OCC(=O)N2CC[C@@H](C)Sc3ccccc32)c2ccccc2n1 ZINC000013074090 558512156 /nfs/dbraw/zinc/51/21/56/558512156.db2.gz FILFVIQNCMVVJZ-MRXNPFEDSA-N 0 0 406.507 4.618 50 0 HJAARN O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)c1ccc(Cl)s1 ZINC000013117278 558516582 /nfs/dbraw/zinc/51/65/82/558516582.db2.gz YBFLXFCWCKYHEO-UHFFFAOYSA-N 0 0 416.915 4.671 50 0 HJAARN C[C@@H](Sc1nnc(Cc2cccs2)n1C)C(=O)c1ccc(Br)cc1 ZINC000013120831 558517013 /nfs/dbraw/zinc/51/70/13/558517013.db2.gz KOQXBZPYQGSMKW-LLVKDONJSA-N 0 0 422.373 4.593 50 0 HJAARN COc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccs2)N2NC=NC2=N3)cc1 ZINC000013122777 558517582 /nfs/dbraw/zinc/51/75/82/558517582.db2.gz DSVOYVNWGMJQFR-FGZHOGPDSA-N 0 0 414.490 4.561 50 0 HJAARN CCOc1ccccc1/C=C(/NC(=O)c1ccccc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000013125111 558518339 /nfs/dbraw/zinc/51/83/39/558518339.db2.gz MZQHGCPWYMAKLI-IPCAQAEESA-N 0 0 414.505 4.734 50 0 biogenic HJAARN C[C@@H](NC(=O)CSc1nnc(NCc2ccco2)s1)c1ccc2ccccc2c1 ZINC000013127942 558519465 /nfs/dbraw/zinc/51/94/65/558519465.db2.gz SQYKUGCKAGSRPA-CQSZACIVSA-N 0 0 424.551 4.866 50 0 HJAARN Brc1cccc(-c2noc(CSc3nnc(C4CC4)n3C3CC3)n2)c1 ZINC000013128225 558519527 /nfs/dbraw/zinc/51/95/27/558519527.db2.gz CROJPSSLLLXUHJ-UHFFFAOYSA-N 0 0 418.320 4.595 50 0 HJAARN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1Br ZINC000013137292 558521556 /nfs/dbraw/zinc/52/15/56/558521556.db2.gz RPMFSJMFGXVUAG-ZDUSSCGKSA-N 0 0 420.328 4.650 50 0 HJAARN Cc1cccc(C)c1NC(=O)[C@H](C)N1CCN(Cc2csc3ccccc23)CC1 ZINC000022930203 558524055 /nfs/dbraw/zinc/52/40/55/558524055.db2.gz ONJLTHVMQITBMR-IBGZPJMESA-N 0 0 407.583 4.663 50 0 HJAARN COc1ccc(C(=O)[C@H](C)Sc2n[nH]c(-c3ccccc3Br)n2)cc1 ZINC000013163851 558524791 /nfs/dbraw/zinc/52/47/91/558524791.db2.gz WQOUTIICEPJQSQ-NSHDSACASA-N 0 0 418.316 4.606 50 0 HJAARN Cc1nn2c(nc(C)cc2N2CCN(c3ccccc3)CC2)c1-c1ccccc1Cl ZINC000023114932 558534737 /nfs/dbraw/zinc/53/47/37/558534737.db2.gz KPWJKYIHUBJOCV-UHFFFAOYSA-N 0 0 417.944 4.993 50 0 HJAARN Cc1ccc(NC(=O)Cn2cnc3c(-c4ccccc4)csc3c2=O)c(Cl)c1 ZINC000023126343 558535839 /nfs/dbraw/zinc/53/58/39/558535839.db2.gz QZRFNYWDSNEQQY-UHFFFAOYSA-N 0 0 409.898 4.726 50 0 HJAARN CCCCCOc1cccc(C=NNc2cnn(-c3ccccc3)c(=O)c2Cl)c1 ZINC000004423404 558540548 /nfs/dbraw/zinc/54/05/48/558540548.db2.gz VQUKGPDHBJDTCD-UHFFFAOYSA-N 0 0 410.905 4.901 50 0 HJAARN COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccc(Cl)c(C)c1 ZINC000013568044 558541462 /nfs/dbraw/zinc/54/14/62/558541462.db2.gz XLCGVJQWZDWJGH-UHFFFAOYSA-N 0 0 423.856 4.878 50 0 HJAARN O=C(NC[C@@H]1CCC[C@H](CNC(=O)c2ccccc2Cl)C1)c1ccccc1Cl ZINC000013576431 558543608 /nfs/dbraw/zinc/54/36/08/558543608.db2.gz LXTIPAQPOSISLR-IYBDPMFKSA-N 0 0 419.352 4.960 50 0 HJAARN Cc1sc2[nH]c(CSc3nccn3-c3cccc(Cl)c3)nc(=O)c2c1C ZINC000023294288 558548099 /nfs/dbraw/zinc/54/80/99/558548099.db2.gz LWNOEMKUWMCRDL-UHFFFAOYSA-N 0 0 402.932 4.733 50 0 HJAARN Cc1noc2nc(C)cc(-c3nc4sc5c(c4c(=O)[nH]3)CC[C@@H](C(C)(C)C)C5)c12 ZINC000013642260 558555923 /nfs/dbraw/zinc/55/59/23/558555923.db2.gz ATMBGSNAICLXOB-GFCCVEGCSA-N 0 0 408.527 4.956 50 0 HJAARN C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000023499468 558560174 /nfs/dbraw/zinc/56/01/74/558560174.db2.gz XSBHIPIHJUUJKL-VGSWGCGISA-N 0 0 406.913 4.559 50 0 HJAARN CC(C)n1c(S[C@H](C)C(=O)Nc2cccnc2)nnc1-c1cc2ccccc2o1 ZINC000072191460 558563019 /nfs/dbraw/zinc/56/30/19/558563019.db2.gz RPOPXKSTLOLYEP-CQSZACIVSA-N 0 0 407.499 4.787 50 0 HJAARN O=C(CCS[C@H]1CCc2ccccc2NC1=O)NCCc1ccc(Cl)cc1 ZINC000013689920 558572151 /nfs/dbraw/zinc/57/21/51/558572151.db2.gz GPIRRGGSONHLCH-IBGZPJMESA-N 0 0 402.947 4.725 50 0 HJAARN CC[C@H](Oc1ccccc1)c1nn2c(nnc2-c2cncc(Br)c2)s1 ZINC000013690949 558572788 /nfs/dbraw/zinc/57/27/88/558572788.db2.gz VTYQGDCASSFKPB-AWEZNQCLSA-N 0 0 416.304 4.540 50 0 HJAARN O=S(=O)(CCN1CCC(c2nc3ccccc3s2)CC1)c1ccc(Cl)cc1 ZINC000023828707 558577428 /nfs/dbraw/zinc/57/74/28/558577428.db2.gz OYLUZVUIBORCPP-UHFFFAOYSA-N 0 0 420.987 4.603 50 0 HJAARN C[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)[C@H](c1ccccc1)N1CCOCC1 ZINC000023873049 558578938 /nfs/dbraw/zinc/57/89/38/558578938.db2.gz VNGUSSDYXGOPJD-NBGIEHNGSA-N 0 0 400.522 4.545 50 0 HJAARN C[C@H](N[C@H](c1ccccc1)c1ccc(OC(F)F)cc1)c1nc2ccccc2c(=O)[nH]1 ZINC000023908323 558581044 /nfs/dbraw/zinc/58/10/44/558581044.db2.gz BKTBVAMVIJFEDD-YCRPNKLZSA-N 0 0 421.447 4.965 50 0 HJAARN O=C(c1ccc(-c2ccccc2)cc1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000023956297 558582576 /nfs/dbraw/zinc/58/25/76/558582576.db2.gz GWVYRATWKUTHSP-UHFFFAOYSA-N 0 0 413.546 4.921 50 0 HJAARN CCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccccc1C ZINC000013722609 558582754 /nfs/dbraw/zinc/58/27/54/558582754.db2.gz RTGFKZCPERHZIM-UHFFFAOYSA-N 0 0 410.539 4.908 50 0 HJAARN Cc1nc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)nn1-c1ccc(F)cc1 ZINC000023983866 558583588 /nfs/dbraw/zinc/58/35/88/558583588.db2.gz ZLAFGQCAIJSJDU-LJQANCHMSA-N 0 0 424.526 4.626 50 0 HJAARN CN(Cc1ccccc1Cl)C(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000024017965 558584741 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409.313 4.658 50 0 HJAARN O=C(NCC1(c2ccccc2)CCC1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000024528011 558600277 /nfs/dbraw/zinc/60/02/77/558600277.db2.gz JRQLRCNYZNGOGG-UHFFFAOYSA-N 0 0 417.475 4.555 50 0 HJAARN CC[C@H](C)Nc1nnc(S[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)s1 ZINC000032777511 558600709 /nfs/dbraw/zinc/60/07/09/558600709.db2.gz CQEPZPFCKZIYIR-GJZGRUSLSA-N 0 0 419.620 4.858 50 0 HJAARN Cc1cc(C)c(NC(=O)CN2c3ccc(F)cc3-c3ccccc3S2(=O)=O)c(C)c1 ZINC000024607697 558603174 /nfs/dbraw/zinc/60/31/74/558603174.db2.gz HVBQZUIBNYTDEG-UHFFFAOYSA-N 0 0 424.497 4.565 50 0 HJAARN CSc1nsc(S[C@H](C(=O)Nc2ccc(C(C)=O)cc2)c2ccccc2)n1 ZINC000013945450 558606952 /nfs/dbraw/zinc/60/69/52/558606952.db2.gz MJKNATRWJFYKLY-INIZCTEOSA-N 0 0 415.565 4.935 50 0 HJAARN CC(C)COc1ccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1 ZINC000013946192 558607307 /nfs/dbraw/zinc/60/73/07/558607307.db2.gz MUEDQGVJSGTTGM-UHFFFAOYSA-N 0 0 404.445 4.847 50 0 HJAARN Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)NCc1ccccc1 ZINC000013955549 558607608 /nfs/dbraw/zinc/60/76/08/558607608.db2.gz RPGFOHPOQKMTBW-SANMLTNESA-N 0 0 423.516 4.728 50 0 HJAARN CC(=O)NCc1ccc(C(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)s1 ZINC000024694653 558607819 /nfs/dbraw/zinc/60/78/19/558607819.db2.gz MJVSCHCBKYBZED-UHFFFAOYSA-N 0 0 423.321 4.809 50 0 HJAARN Cc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(Cc2ccc(Cl)cc2Cl)n1 ZINC000013960908 558608748 /nfs/dbraw/zinc/60/87/48/558608748.db2.gz UZTZREQOBVZVFG-UHFFFAOYSA-N 0 0 415.328 4.656 50 0 HJAARN Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)Nc3ccn(Cc4ccccc4)n3)c12 ZINC000013960951 558608750 /nfs/dbraw/zinc/60/87/50/558608750.db2.gz CFGRRJUYYPRFCY-UHFFFAOYSA-N 0 0 422.492 4.534 50 0 HJAARN O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N[C@H]1CCSc2c(F)cccc21 ZINC000024756921 558610627 /nfs/dbraw/zinc/61/06/27/558610627.db2.gz VKHWKTJINVQDSV-XJKSGUPXSA-N 0 0 422.934 4.635 50 0 HJAARN Cc1csc(CCNC(=O)[C@H](Nc2ccc(C(F)(F)F)cc2Cl)C(C)C)n1 ZINC000024763373 558611281 /nfs/dbraw/zinc/61/12/81/558611281.db2.gz POMUVSXHUJOWAO-MRXNPFEDSA-N 0 0 419.900 4.919 50 0 HJAARN Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1csc(-c2ccc(C(C)C)cc2)n1 ZINC000024834240 558615745 /nfs/dbraw/zinc/61/57/45/558615745.db2.gz PKEDXGIKMFVQDI-UHFFFAOYSA-N 0 0 414.552 4.898 50 0 HJAARN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2Oc2ccccc2)c1 ZINC000014069324 558617154 /nfs/dbraw/zinc/61/71/54/558617154.db2.gz LHAQMTJEZPLGHZ-UHFFFAOYSA-N 0 0 424.522 4.762 50 0 HJAARN O=C(c1cccc(Br)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000014085802 558618765 /nfs/dbraw/zinc/61/87/65/558618765.db2.gz XVPKGJQNXINWDC-QGZVFWFLSA-N 0 0 402.288 4.588 50 0 HJAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCS[C@@H](c2cccs2)CC1 ZINC000219548428 558618946 /nfs/dbraw/zinc/61/89/46/558618946.db2.gz CZWCJIGHMVRSED-OAHLLOKOSA-N 0 0 407.504 4.636 50 0 HJAARN Cc1ccc(Oc2ccccc2NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC000032808646 558620604 /nfs/dbraw/zinc/62/06/04/558620604.db2.gz MIHRXQCRVDECIK-UHFFFAOYSA-N 0 0 422.506 4.580 50 0 HJAARN Cc1nc(S[C@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)n(C2CCCCC2)c1C ZINC000024932862 558621576 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HJAARN CCc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3ccccc3CC)cs2)cc1 ZINC000014181774 558628425 /nfs/dbraw/zinc/62/84/25/558628425.db2.gz LBMXHOCXNAYXOZ-UHFFFAOYSA-N 0 0 407.539 4.646 50 0 HJAARN CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000014184628 558629963 /nfs/dbraw/zinc/62/99/63/558629963.db2.gz CJHXUZLVWWOKCK-UHFFFAOYSA-N 0 0 419.283 4.615 50 0 HJAARN CCOc1ccc([C@H]2CCCN2Cn2nc(Cc3cccs3)n(C)c2=S)cc1 ZINC000014185913 558631057 /nfs/dbraw/zinc/63/10/57/558631057.db2.gz VVAWVNGQZMYMQY-LJQANCHMSA-N 0 0 414.600 4.797 50 0 HJAARN CCOc1c(Cl)cc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc1OC ZINC000025250130 558635950 /nfs/dbraw/zinc/63/59/50/558635950.db2.gz SBNPKMJYNBNNHP-UHFFFAOYSA-N 0 0 411.889 4.553 50 0 HJAARN COc1cc(C(C)=O)ccc1OCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000014201001 558636555 /nfs/dbraw/zinc/63/65/55/558636555.db2.gz NMINSGQGCLCTLF-DEOSSOPVSA-N 0 0 421.518 4.512 50 0 HJAARN C[C@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000014226378 558638545 /nfs/dbraw/zinc/63/85/45/558638545.db2.gz RLTBIXARMVJWRN-KRWDZBQOSA-N 0 0 418.522 4.774 50 0 HJAARN CCn1c(S[C@H](C)C(=O)N[C@@H]2CCCc3ccccc32)nnc1-c1cccs1 ZINC000004516559 558638979 /nfs/dbraw/zinc/63/89/79/558638979.db2.gz GJVRTXVGQLONOW-RHSMWYFYSA-N 0 0 412.584 4.701 50 0 HJAARN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CSC1=Nc2ccccc2CS1 ZINC000014232217 558640237 /nfs/dbraw/zinc/64/02/37/558640237.db2.gz ZKJQAHCATIXEMR-UHFFFAOYSA-N 0 0 416.568 4.720 50 0 HJAARN COc1ccccc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1ccc(C)cc1 ZINC000004518108 558641490 /nfs/dbraw/zinc/64/14/90/558641490.db2.gz XZUCTNPCSWEZJF-UHFFFAOYSA-N 0 0 405.502 4.560 50 0 HJAARN C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(Sc4ccccc4)c23)C1 ZINC000025463028 558641738 /nfs/dbraw/zinc/64/17/38/558641738.db2.gz URCOLTFOBLDFKR-HNNXBMFYSA-N 0 0 411.596 4.800 50 0 HJAARN Cc1ccc(S(C)(=O)=O)cc1C(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000014238962 558642789 /nfs/dbraw/zinc/64/27/89/558642789.db2.gz CHIAWQCXWCHXLH-UHFFFAOYSA-N 0 0 403.519 4.513 50 0 HJAARN COc1cc(OC)c([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1OC ZINC000025583342 558644968 /nfs/dbraw/zinc/64/49/68/558644968.db2.gz HHZXBQXNQNVPLU-CJFMBICVSA-N 0 0 416.477 4.955 50 0 HJAARN Cc1noc(CSc2ccccc2C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000025605723 558645558 /nfs/dbraw/zinc/64/55/58/558645558.db2.gz CAAWCYLUGZVTLU-UHFFFAOYSA-N 0 0 421.444 4.961 50 0 HJAARN O=C(CN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O)c1ccc(-c2ccccc2)cc1 ZINC000014244426 558645698 /nfs/dbraw/zinc/64/56/98/558645698.db2.gz WQFDMDHCCQQNMA-MHZLTWQESA-N 0 0 424.500 4.710 50 0 HJAARN Cc1ccc(-c2nc(S[C@H](C)C(=O)Nc3ccc(Br)cc3)n[nH]2)cc1 ZINC000014245126 558646050 /nfs/dbraw/zinc/64/60/50/558646050.db2.gz UKBWXIIDHSJLMX-GFCCVEGCSA-N 0 0 417.332 4.662 50 0 HJAARN O=C(CSc1ccc(F)c(F)c1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000026364636 558659631 /nfs/dbraw/zinc/65/96/31/558659631.db2.gz GJHVXIKHFGPYKZ-ZDUSSCGKSA-N 0 0 420.506 4.879 50 0 HJAARN Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[C@H](C)C3 ZINC000004543290 558663563 /nfs/dbraw/zinc/66/35/63/558663563.db2.gz MCBSQBXFUYHANF-WLRWDXFRSA-N 0 0 412.946 4.875 50 0 HJAARN C[C@@H](Sc1nnc(NCCc2cccs2)s1)C(=O)c1ccc(F)c(F)c1 ZINC000014703704 558664257 /nfs/dbraw/zinc/66/42/57/558664257.db2.gz UYNNGSXEBVEDGB-SNVBAGLBSA-N 0 0 411.524 4.896 50 0 HJAARN O=c1cc(CNc2ccc(OCc3cccc(F)c3)c(Cl)c2)nc2sccn21 ZINC000026800177 558665413 /nfs/dbraw/zinc/66/54/13/558665413.db2.gz GPOSNWBHOJKSRS-UHFFFAOYSA-N 0 0 415.877 4.740 50 0 HJAARN O=C(N[C@H](Nc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1)c1ccc(F)cc1 ZINC000026964721 558667698 /nfs/dbraw/zinc/66/76/98/558667698.db2.gz DVHOQGYVKZBYDX-FQEVSTJZSA-N 0 0 416.374 4.895 50 0 HJAARN Cc1ccc(/C=c2\sc3nc(-c4sc5ccccc5c4Cl)nn3c2=O)cc1 ZINC000026965313 558667745 /nfs/dbraw/zinc/66/77/45/558667745.db2.gz CFPSSPZEIGBRIT-GDNBJRDFSA-N 0 0 409.923 4.542 50 0 HJAARN O=C(Nc1ccc(OC[C@@H](O)COc2ccc(Cl)cc2Cl)cc1)c1ccco1 ZINC000027213343 558670939 /nfs/dbraw/zinc/67/09/39/558670939.db2.gz NBODJMNINAGGLS-OAHLLOKOSA-N 0 0 422.264 4.657 50 0 HJAARN O=C(OCc1cc(-c2ccc(Cl)cc2)no1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000014807252 558673455 /nfs/dbraw/zinc/67/34/55/558673455.db2.gz NAHWOPCGAYVXPR-LJQANCHMSA-N 0 0 413.857 4.910 50 0 HJAARN C[C@@H](OC(=O)C=Cc1cccc2cccnc12)C(=O)c1ccc(Br)cc1 ZINC000014811966 558673876 /nfs/dbraw/zinc/67/38/76/558673876.db2.gz SPOLSAYBAKZTIV-BRADTZPFSA-N 0 0 410.267 4.825 50 0 HJAARN COc1ccc(CC(=O)N(Cc2ccc(OC)cc2)[C@@H](C)Cc2cccs2)cc1 ZINC000014903582 558678897 /nfs/dbraw/zinc/67/88/97/558678897.db2.gz MWQVNNZWZHCSOC-SFHVURJKSA-N 0 0 409.551 4.968 50 0 HJAARN Cc1cccc(OCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCCC2)c1C ZINC000027664275 558679436 /nfs/dbraw/zinc/67/94/36/558679436.db2.gz LDBFEBSDTBEOLX-NRFANRHFSA-N 0 0 400.950 4.679 50 0 HJAARN Cc1noc(C)c1CCC(=O)N1CCC[C@H](C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000014954609 558682002 /nfs/dbraw/zinc/68/20/02/558682002.db2.gz JWBRMYXQCDEAJP-FQEVSTJZSA-N 0 0 416.521 4.597 50 0 HJAARN COCCCC1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)CC1 ZINC000014960681 558683866 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CCC(=O)N1c2ccc(C)cc2-c2nnc(SC)nc2O[C@@H]1c1ccc(C)cc1 ZINC000032997521 558758819 /nfs/dbraw/zinc/75/88/19/558758819.db2.gz MXOITQVSGVMNAX-OAQYLSRUSA-N 0 0 406.511 4.712 50 0 HJAARN COc1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1NC(=O)c1cccc(C)c1 ZINC000032998389 558759320 /nfs/dbraw/zinc/75/93/20/558759320.db2.gz MMLSZPLPPPRFJW-UHFFFAOYSA-N 0 0 420.465 4.525 50 0 HJAARN CCc1cc(Sc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)n2ncnc2n1 ZINC000033114885 558761013 /nfs/dbraw/zinc/76/10/13/558761013.db2.gz NVZZMBFBPUIZFJ-UHFFFAOYSA-N 0 0 423.929 4.673 50 0 HJAARN CCCc1cc(-c2nc(C)c(C(=O)Nc3nnc(CC(C)C)s3)s2)ccn1 ZINC000071279561 558763016 /nfs/dbraw/zinc/76/30/16/558763016.db2.gz COVIROBDPRZVNS-UHFFFAOYSA-N 0 0 401.561 4.768 50 0 HJAARN CC[C@@H](C)n1c(=O)c2ccccc2nc1SCc1cc(=O)oc2c(C)c(O)ccc12 ZINC000016046352 558770348 /nfs/dbraw/zinc/77/03/48/558770348.db2.gz NOVMCIATHNLCRS-CYBMUJFWSA-N 0 0 422.506 4.780 50 0 HJAARN NC(=O)c1ccc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)cc1Cl ZINC000046241779 558771040 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CN1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccc(Cl)c(Cl)c3)N2C1=S ZINC000022018271 558778906 /nfs/dbraw/zinc/77/89/06/558778906.db2.gz DJTCQNZYAWFGFQ-FUHWJXTLSA-N 0 0 416.333 4.548 50 0 HJAARN C[C@@H]1CCC[C@@H](NC(=O)CSCc2cnn(-c3ccccc3)c2-n2cccc2)[C@@H]1C ZINC000004586012 558781396 /nfs/dbraw/zinc/78/13/96/558781396.db2.gz BKTOHJLNDSKXJS-WOIUINJBSA-N 0 0 422.598 4.837 50 0 HJAARN COc1ccc(Cl)cc1C(=O)Nc1cc2nn(-c3ccc(F)cc3)nc2cc1C ZINC000016284404 558783581 /nfs/dbraw/zinc/78/35/81/558783581.db2.gz PRPYBAWTUXAQNE-UHFFFAOYSA-N 0 0 410.836 4.782 50 0 HJAARN COc1cccc(C(=O)Nc2c(CC(C)C)[nH]nc2-c2ccc(OC)c(OC)c2)c1 ZINC000034793952 558784004 /nfs/dbraw/zinc/78/40/04/558784004.db2.gz FBTILGOJTZONPY-UHFFFAOYSA-N 0 0 409.486 4.553 50 0 HJAARN Cc1cc(CSc2ccccc2C(=O)OCC(=O)c2ccc(F)cc2F)on1 ZINC000016542864 558795589 /nfs/dbraw/zinc/79/55/89/558795589.db2.gz QKINNVVJMKASOS-UHFFFAOYSA-N 0 0 403.406 4.593 50 0 HJAARN COCC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(C)C ZINC000035980717 558796394 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CC(C)CCNC(=O)[C@@]1(C)CCc2ccccc2C(=O)N1Cc1ccccc1Cl ZINC000032977830 558803396 /nfs/dbraw/zinc/80/33/96/558803396.db2.gz XIUPTRVHKNDOLL-XMMPIXPASA-N 0 0 412.961 4.850 50 0 HJAARN COc1ccccc1CN1CCN(c2cc(Oc3ccc(Cl)cc3)ncn2)C[C@H]1C ZINC000037357086 558804338 /nfs/dbraw/zinc/80/43/38/558804338.db2.gz XHJJDCRROARHHC-QGZVFWFLSA-N 0 0 424.932 4.642 50 0 HJAARN Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2cccc(Cl)c2)O3)cc1 ZINC000032983941 558804882 /nfs/dbraw/zinc/80/48/82/558804882.db2.gz PMUVVLDDHRHAQU-UUYOSTAYSA-N 0 0 418.880 4.950 50 0 HJAARN C[C@@H](Cc1ccco1)NC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983882 558804976 /nfs/dbraw/zinc/80/49/76/558804976.db2.gz BJLMOJFECGRFDX-DTHVTWRFSA-N 0 0 422.868 4.666 50 0 HJAARN O=S1(=O)c2ccccc2N[C@@H](c2ccccc2Cl)N1Cc1cccc(F)c1 ZINC000032986824 558806787 /nfs/dbraw/zinc/80/67/87/558806787.db2.gz JZNGGMPKZMRWQH-HXUWFJFHSA-N 0 0 402.878 4.794 50 0 HJAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccccc3)no2)cc1 ZINC000016846419 558808642 /nfs/dbraw/zinc/80/86/42/558808642.db2.gz WMAJXOQJRBDBPK-UHFFFAOYSA-N 0 0 411.508 4.599 50 0 HJAARN CCOc1ccccc1C(=O)Nc1nn(CC(C)C)c2nc3ccc(OC)cc3cc12 ZINC000016955675 558809988 /nfs/dbraw/zinc/80/99/88/558809988.db2.gz LMPVUEVEBDZICX-UHFFFAOYSA-N 0 0 418.497 4.900 50 0 HJAARN Cc1cc(Sc2ccccc2NC(=O)C(C)C)n2nc(-c3ccccc3)nc2n1 ZINC000032995832 558810354 /nfs/dbraw/zinc/81/03/54/558810354.db2.gz XKEDVFJDIQENSB-UHFFFAOYSA-N 0 0 403.511 4.845 50 0 HJAARN C[C@H](OC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1nnc(-c2cccs2)o1 ZINC000022977270 558810538 /nfs/dbraw/zinc/81/05/38/558810538.db2.gz RNMVPIWYNVFSDF-LBPRGKRZSA-N 0 0 424.457 4.530 50 0 HJAARN Cc1cc(Cl)ccc1OCc1nc(-c2cccc(C(=O)N3CCCCC3)c2)no1 ZINC000032996629 558810779 /nfs/dbraw/zinc/81/07/79/558810779.db2.gz NLVKYWQADMGTKY-UHFFFAOYSA-N 0 0 411.889 4.904 50 0 HJAARN COc1ccc(CCN=C2N=NC(C34CC5CC(CC(C5)C3)C4)CS2)cc1OC ZINC000016977043 558811033 /nfs/dbraw/zinc/81/10/33/558811033.db2.gz XKDGXNUMQHLPOT-UHFFFAOYSA-N 0 0 413.587 4.511 50 0 HJAARN 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CCOC(=O)c1c(C)c(C(=O)NC2CCCCC2)sc1NC(=O)C1CCCCC1 ZINC000050934987 558853918 /nfs/dbraw/zinc/85/39/18/558853918.db2.gz FJNRYOIDWKIYDE-UHFFFAOYSA-N 0 0 420.575 4.815 50 0 HJAARN CC(C)CNC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(F)cc2)n1 ZINC000036068553 558854342 /nfs/dbraw/zinc/85/43/42/558854342.db2.gz ZBUHQJZERHUYLT-UHFFFAOYSA-N 0 0 413.468 4.541 50 0 HJAARN CC(C)c1ccc(NC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)cc1 ZINC000033031678 558855590 /nfs/dbraw/zinc/85/55/90/558855590.db2.gz DVDSVYDAMKENTN-UHFFFAOYSA-N 0 0 405.473 4.936 50 0 HJAARN Cc1ccc(-c2nnc(SCC(=O)NC3CCCCC3)n2-c2ccccc2)cc1 ZINC000051428595 558856561 /nfs/dbraw/zinc/85/65/61/558856561.db2.gz PXWOCXSNHYDSHC-UHFFFAOYSA-N 0 0 406.555 4.784 50 0 HJAARN CCn1nc(C(=O)N(Cc2cccnc2)c2nc3cc(C)c(C)cc3s2)cc1C ZINC000013703350 558857364 /nfs/dbraw/zinc/85/73/64/558857364.db2.gz DHMRSELTVMYCCE-UHFFFAOYSA-N 0 0 405.527 4.680 50 0 HJAARN Cc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)NCc4ccccc4)c3)C2)cc1 ZINC000033034654 558858725 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/nfs/dbraw/zinc/87/19/90/558871990.db2.gz FBAKUVOMFCJQLS-ZDUSSCGKSA-N 0 0 411.299 4.750 50 0 HJAARN COc1ccc(/C=C\C(=O)Nc2c3c(nn2-c2ccc(C)cc2)CSC3)cc1OC ZINC000004659380 558872600 /nfs/dbraw/zinc/87/26/00/558872600.db2.gz FMKCTDLDWNGXTE-XFFZJAGNSA-N 0 0 421.522 4.597 50 0 HJAARN CC(=O)Oc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c1 ZINC000004659655 558873368 /nfs/dbraw/zinc/87/33/68/558873368.db2.gz MOOBDSQOJQJWFS-NTEUORMPSA-N 0 0 400.409 4.621 50 0 HJAARN CCn1c2ccccc2nc1N1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000033106487 558874155 /nfs/dbraw/zinc/87/41/55/558874155.db2.gz ONDRCEJNTGKQQR-UHFFFAOYSA-N 0 0 418.328 4.717 50 0 HJAARN C[C@H](C(=O)NCc1ccc(Cl)cc1)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000033113858 558875640 /nfs/dbraw/zinc/87/56/40/558875640.db2.gz WJBRRVCNDWCSQU-INIZCTEOSA-N 0 0 423.944 4.626 50 0 HJAARN S=c1sc2ccccc2n1CNCCNCn1c2ccccc2sc1=S ZINC000019369020 558877710 /nfs/dbraw/zinc/87/77/10/558877710.db2.gz ZVFRBVXWEVWTNJ-UHFFFAOYSA-N 0 0 418.638 4.972 50 0 HJAARN CC(=O)N1CCC(N(CCC(C)C)C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000004667967 558877845 /nfs/dbraw/zinc/87/78/45/558877845.db2.gz HMNOPHMPNRHTID-UHFFFAOYSA-N 0 0 415.525 4.761 50 0 HJAARN Cc1ccc(C2(c3noc(CN4CCN(c5ccccc5)CC4)n3)CCCC2)cc1 ZINC000055271547 558878097 /nfs/dbraw/zinc/87/80/97/558878097.db2.gz BTQXLDACFGKDPB-UHFFFAOYSA-N 0 0 402.542 4.560 50 0 HJAARN CCCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)c2cccc(F)c2)cc1 ZINC000033122036 558878969 /nfs/dbraw/zinc/87/89/69/558878969.db2.gz DTSHJYZEQPTOHZ-UHFFFAOYSA-N 0 0 421.501 4.928 50 0 HJAARN CCCOc1c2cc(NC(=O)Cc3ccc(F)cc3)ccc2sc1C(=O)OC ZINC000033123451 558879889 /nfs/dbraw/zinc/87/98/89/558879889.db2.gz DFSBSOKBCAFPDI-UHFFFAOYSA-N 0 0 401.459 4.797 50 0 HJAARN Cc1oc(-c2ccccc2Cl)cc1C(=O)N1CCC([C@@H](O)c2ccccn2)CC1 ZINC000055371603 558880598 /nfs/dbraw/zinc/88/05/98/558880598.db2.gz UQNHJACUTYMDJL-JOCHJYFZSA-N 0 0 410.901 4.889 50 0 HJAARN Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NNc3ccc(F)c(F)c3F)c12 ZINC000170620764 558881380 /nfs/dbraw/zinc/88/13/80/558881380.db2.gz AIXHTDKHMIQVDV-UHFFFAOYSA-N 0 0 419.451 4.792 50 0 HJAARN Cc1cc(C)c(NC(=O)CSc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)c(C)c1 ZINC000033128029 558881560 /nfs/dbraw/zinc/88/15/60/558881560.db2.gz CUNPNJFHUAUEJH-UHFFFAOYSA-N 0 0 407.539 4.505 50 0 HJAARN Cc1ccc(NC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)cc1C ZINC000033128100 558881813 /nfs/dbraw/zinc/88/18/13/558881813.db2.gz AIKGPUAMXBWWIB-GOSISDBHSA-N 0 0 407.539 4.585 50 0 HJAARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000033045156 558883108 /nfs/dbraw/zinc/88/31/08/558883108.db2.gz FFNIHVHKWKNPMJ-CYBMUJFWSA-N 0 0 416.934 4.517 50 0 HJAARN Cc1nccc(-c2cccc(NC(=O)C3(c4ccc(Br)cc4)CC3)c2)n1 ZINC000033125955 558883788 /nfs/dbraw/zinc/88/37/88/558883788.db2.gz IGICOSUULJKPIJ-UHFFFAOYSA-N 0 0 408.299 4.885 50 0 HJAARN C[C@H]1CCCC[C@H]1NC(=O)CNC(=S)N(Cc1ccccc1F)C1CCCCC1 ZINC000004672632 558884783 /nfs/dbraw/zinc/88/47/83/558884783.db2.gz WZQXILRUTWHPPN-LAUBAEHRSA-N 0 0 419.610 4.530 50 0 HJAARN Cc1nc2c(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)cnn2c(C)c1Cc1ccccc1F ZINC000004671902 558886045 /nfs/dbraw/zinc/88/60/45/558886045.db2.gz IGKDBGFTKROYLZ-ZCCHDVMBSA-N 0 0 408.521 4.631 50 0 HJAARN CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ccccc3C)cc2)cc1 ZINC000033130333 558886582 /nfs/dbraw/zinc/88/65/82/558886582.db2.gz DNAJXYCXGCGLDB-UHFFFAOYSA-N 0 0 408.523 4.603 50 0 HJAARN COc1ccccc1Oc1ccnc(-c2cccc(C(=O)NCc3ccccc3)c2)n1 ZINC000033130544 558886906 /nfs/dbraw/zinc/88/69/06/558886906.db2.gz ADGLNZURZMLKKE-UHFFFAOYSA-N 0 0 411.461 4.875 50 0 biogenic HJAARN O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCN1C(=O)c1cc2c(s1)CCC2 ZINC000033134176 558888197 /nfs/dbraw/zinc/88/81/97/558888197.db2.gz RLGPCXJTNDHGIL-HNNXBMFYSA-N 0 0 409.338 4.787 50 0 HJAARN COc1ccc(NC(=O)Nc2ccc3c(c2)CN(Cc2ccccc2)C3)cc1OC ZINC000033140084 558891598 /nfs/dbraw/zinc/89/15/98/558891598.db2.gz PLAPIXIVDOEDCS-UHFFFAOYSA-N 0 0 403.482 4.864 50 0 HJAARN Cc1ccc([C@H]2C[C@@H](c3cc(Cl)ccc3C(=O)C(F)F)n3ncnc3N2)cc1 ZINC000072333470 558891849 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CCOc1ccc(-c2noc(-c3nn(-c4cccc(C)c4)c(=O)c4ccccc43)n2)cc1 ZINC000064949757 558967660 /nfs/dbraw/zinc/96/76/60/558967660.db2.gz HWKAFUQTPHOSOY-UHFFFAOYSA-N 0 0 424.460 4.810 50 0 HJAARN COc1cccc(-n2nc(-c3nc(-c4ccc(C)c(C)c4)no3)c3ccccc3c2=O)c1 ZINC000064949736 558967707 /nfs/dbraw/zinc/96/77/07/558967707.db2.gz BCJAPJIFPZSHKR-UHFFFAOYSA-N 0 0 424.460 4.728 50 0 HJAARN Cc1ccc(-c2noc(-c3nn(-c4ccc(F)cc4)c(=O)c4ccccc43)n2)cc1C ZINC000064950000 558967897 /nfs/dbraw/zinc/96/78/97/558967897.db2.gz YORSDQPXOROEOL-UHFFFAOYSA-N 0 0 412.424 4.859 50 0 HJAARN COc1ccc(OC)c(S(=O)(=O)N2CCCCC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000064984075 558968422 /nfs/dbraw/zinc/96/84/22/558968422.db2.gz FSCYVNRJXAMIBK-GOSISDBHSA-N 0 0 409.935 4.663 50 0 HJAARN CCOc1ccccc1CNS(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004552 558969269 /nfs/dbraw/zinc/96/92/69/558969269.db2.gz GZWLFCJKOBZPOL-UHFFFAOYSA-N 0 0 418.540 4.548 50 0 HJAARN COc1ccccc1NC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021914935 558971724 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ZINC000005146282 559252559 /nfs/dbraw/zinc/25/25/59/559252559.db2.gz WVBJFMNRFOFPJJ-UHFFFAOYSA-N 0 0 405.292 4.684 50 0 HJAARN COc1ccc(CNC(=O)Cc2csc3nc(-c4ccc(Cl)cc4)cn23)cc1 ZINC000005146481 559252563 /nfs/dbraw/zinc/25/25/63/559252563.db2.gz PKZYIGQCLQWPGZ-UHFFFAOYSA-N 0 0 411.914 4.584 50 0 HJAARN CN(Cc1ccco1)C(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)C2CC2)cc1 ZINC000037557489 559255308 /nfs/dbraw/zinc/25/53/08/559255308.db2.gz JUTQALZAOMSEHM-UHFFFAOYSA-N 0 0 420.484 4.563 50 0 HJAARN Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)C3c4ccccc4Oc4ccccc43)cc12 ZINC000011726475 559255817 /nfs/dbraw/zinc/25/58/17/559255817.db2.gz AUNVSXWIBMAZNK-UHFFFAOYSA-N 0 0 424.500 4.741 50 0 HJAARN Cc1cccc(Oc2cc(N3CCN(C(=O)c4ccc(Cl)cc4)[C@H](C)C3)ncn2)c1 ZINC000037623816 559255927 /nfs/dbraw/zinc/25/59/27/559255927.db2.gz DCQQSXAGTVIGIT-QGZVFWFLSA-N 0 0 422.916 4.582 50 0 HJAARN Cc1ccc(N2C[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2=O)c(C)c1 ZINC000038850195 559258168 /nfs/dbraw/zinc/25/81/68/559258168.db2.gz GRJHIBICCIVWJC-OAHLLOKOSA-N 0 0 401.388 4.893 50 0 HJAARN CN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)C2=CCCC2)CC1 ZINC000011814298 559260344 /nfs/dbraw/zinc/26/03/44/559260344.db2.gz RBHYFDMGVWBGQC-QHCPKHFHSA-N 0 0 422.594 4.780 50 0 HJAARN COC(=O)Cc1c(C)c2ccc(OCc3c(C)c(C)cc(C)c3C)c(C)c2oc1=O ZINC000011866768 559264366 /nfs/dbraw/zinc/26/43/66/559264366.db2.gz HKRKSTYCLGZLQV-UHFFFAOYSA-N 0 0 408.494 4.938 50 0 HJAARN O=C(COc1ccc(Br)cc1)N(Cc1cccs1)c1ccccn1 ZINC000011915035 559267760 /nfs/dbraw/zinc/26/77/60/559267760.db2.gz ZMMSACUIGXVYRB-UHFFFAOYSA-N 0 0 403.301 4.518 50 0 HJAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccccn2)cc1 ZINC000248181869 559268410 /nfs/dbraw/zinc/26/84/10/559268410.db2.gz DWDXWLLKTYUBGC-URXFXBBRSA-N 0 0 401.466 4.731 50 0 HJAARN O=C(C[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000226761147 559273955 /nfs/dbraw/zinc/27/39/55/559273955.db2.gz IWTRCLAAJCNBHS-FQEVSTJZSA-N 0 0 420.534 4.613 50 0 HJAARN COc1ccc(Cl)cc1NCN1C(=O)S/C(=C\c2ccc(N(C)C)cc2)C1=O ZINC000002120224 559274924 /nfs/dbraw/zinc/27/49/24/559274924.db2.gz DVSWMXLQAZBUSS-ZDLGFXPLSA-N 0 0 417.918 4.521 50 0 HJAARN CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccccc1Nc1ccccc1 ZINC000024191519 559276977 /nfs/dbraw/zinc/27/69/77/559276977.db2.gz FEIDMJIISCIEHF-UHFFFAOYSA-N 0 0 401.510 4.539 50 0 HJAARN O=C(CSc1nncn1-c1ccccc1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000005167926 559287023 /nfs/dbraw/zinc/28/70/23/559287023.db2.gz DIXSSRVBWGUPHA-UHFFFAOYSA-N 0 0 424.545 4.860 50 0 HJAARN CC(C)(C)[C@H]1CCc2c(sc3nnn(CC(=O)c4cc5ccccc5o4)c(=O)c32)C1 ZINC000005183066 559290120 /nfs/dbraw/zinc/29/01/20/559290120.db2.gz NHTMJPIVPMVGNN-AWEZNQCLSA-N 0 0 421.522 4.633 50 0 HJAARN CCCCn1c(N)c(C(=O)N[C@@H](C)CCc2ccccc2)c2nc3ccccc3nc21 ZINC000005186685 559290865 /nfs/dbraw/zinc/29/08/65/559290865.db2.gz XCLZQXSVBXDVQE-KRWDZBQOSA-N 0 0 415.541 4.718 50 0 HJAARN Cc1cc(C(=O)COC(=O)c2c(C)noc2C)c(C)n1CCc1ccc(Cl)cc1 ZINC000005196585 559291980 /nfs/dbraw/zinc/29/19/80/559291980.db2.gz UWYIAZUTBYWIIV-UHFFFAOYSA-N 0 0 414.889 4.646 50 0 HJAARN COc1cccc(N2C[C@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)c1 ZINC000005197692 559292049 /nfs/dbraw/zinc/29/20/49/559292049.db2.gz JOMJNAJCRQKVTQ-HXUWFJFHSA-N 0 0 411.505 4.808 50 0 HJAARN O=C(Nn1c(=O)c2ccccc2nc1-c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000005199331 559292463 /nfs/dbraw/zinc/29/24/63/559292463.db2.gz DQHNECBCHIJXHF-UHFFFAOYSA-N 0 0 410.260 4.754 50 0 HJAARN Cc1cccc(-c2nc3ccccc3c(=O)n2NC(=O)c2ccc(F)cc2Cl)c1 ZINC000005199302 559292475 /nfs/dbraw/zinc/29/24/75/559292475.db2.gz BRFFVGCYWZXGID-UHFFFAOYSA-N 0 0 407.832 4.548 50 0 HJAARN CCCCCc1sc(NC(=O)c2ccc(C(F)(F)F)nc2C)c(C(N)=O)c1C ZINC000079094954 560541204 /nfs/dbraw/zinc/54/12/04/560541204.db2.gz LHILMSDRNZOQSZ-UHFFFAOYSA-N 0 0 413.465 4.863 50 0 HJAARN Cc1cc(Cl)cc(C)c1Oc1ccc(Cl)cc1NC(=O)[C@@H](C)S(C)(=O)=O ZINC000079038428 560541373 /nfs/dbraw/zinc/54/13/73/560541373.db2.gz RVPQRIAMBHMZKH-GFCCVEGCSA-N 0 0 416.326 4.774 50 0 HJAARN COc1ccc(-c2c(C)nn3c2nc(C)cc3NCCc2ccccc2)cc1OC ZINC000005243503 560549905 /nfs/dbraw/zinc/54/99/05/560549905.db2.gz QHPPGCHSQSGIJY-UHFFFAOYSA-N 0 0 402.498 4.685 50 0 HJAARN CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)on2)c1 ZINC000005244982 560550255 /nfs/dbraw/zinc/55/02/55/560550255.db2.gz PRZNHFBNQJPPKE-OAQYLSRUSA-N 0 0 416.433 4.546 50 0 HJAARN Cc1nn(C)c(C)c1/C=C1\C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1O ZINC000147166866 560556180 /nfs/dbraw/zinc/55/61/80/560556180.db2.gz IFDSJTUAVYQLDO-BLUPOTCDSA-N 0 0 412.618 4.795 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cccn(Cc2ccccc2Cl)c1=O ZINC000005269846 560560333 /nfs/dbraw/zinc/56/03/33/560560333.db2.gz FMPLBINJLXPYRE-UHFFFAOYSA-N 0 0 406.791 4.821 50 0 HJAARN Cc1ccc(-c2csc(N3N=C4c5ccccc5C[C@H]4[C@@]3(O)C(F)(F)F)n2)cc1 ZINC000005275027 560561682 /nfs/dbraw/zinc/56/16/82/560561682.db2.gz XVRQJTVUQZTZMR-OXQOHEQNSA-N 0 0 415.440 4.766 50 0 HJAARN CC(=O)N1CCC2(CC1)Oc1ccc(C)cc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 ZINC000005278608 560561836 /nfs/dbraw/zinc/56/18/36/560561836.db2.gz UNZKSPWXVBJLAE-NRFANRHFSA-N 0 0 409.917 4.531 50 0 HJAARN CC1(C)Cc2nc(-c3ccccc3)n3c(SCc4ccccc4)nnc3c2CO1 ZINC000005306573 560563525 /nfs/dbraw/zinc/56/35/25/560563525.db2.gz YBXKPPYHJRNUBK-UHFFFAOYSA-N 0 0 402.523 4.935 50 0 HJAARN Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)NCc3cccs3)c(Cl)c12 ZINC000005313884 560564400 /nfs/dbraw/zinc/56/44/00/560564400.db2.gz CZJDUGFGQJOOSN-UHFFFAOYSA-N 0 0 400.866 4.513 50 0 HJAARN CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)ccn2)c1 ZINC000005324043 560564870 /nfs/dbraw/zinc/56/48/70/560564870.db2.gz DHKTTWNEWJHSSL-QFIPXVFZSA-N 0 0 412.445 4.645 50 0 HJAARN CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccc(OC)cc1OC)CO3 ZINC000061997686 560565107 /nfs/dbraw/zinc/56/51/07/560565107.db2.gz DLTRGPVDYLNOOR-UHFFFAOYSA-N 0 0 423.509 4.813 50 0 biogenic HJAARN O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)NCCC1=CCCCC1 ZINC000005332593 560566725 /nfs/dbraw/zinc/56/67/25/560566725.db2.gz LDBBHOFAXOVWIV-UHFFFAOYSA-N 0 0 400.523 4.518 50 0 HJAARN CC(=O)Nc1ccc(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1 ZINC000005347787 560570773 /nfs/dbraw/zinc/57/07/73/560570773.db2.gz BILSAGPDAHCOJU-UHFFFAOYSA-N 0 0 412.445 4.775 50 0 biogenic HJAARN COc1ccc(-c2nc(CNC(=O)c3ncc(-c4ccc(F)cc4)o3)cs2)cc1 ZINC000206587750 560571622 /nfs/dbraw/zinc/57/16/22/560571622.db2.gz RCEZYSLBYFPUMD-UHFFFAOYSA-N 0 0 409.442 4.543 50 0 HJAARN CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccoc1C ZINC000005364955 560571958 /nfs/dbraw/zinc/57/19/58/560571958.db2.gz BCXBYVTVRBTJFO-UHFFFAOYSA-N 0 0 411.314 4.904 50 0 HJAARN Cc1cc(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)c(C)n1C1CC1 ZINC000005396754 560581164 /nfs/dbraw/zinc/58/11/64/560581164.db2.gz IQKYVHSXIWQWAJ-UHFFFAOYSA-N 0 0 412.584 4.994 50 0 HJAARN CC(C)[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCCO2 ZINC000005407902 560583514 /nfs/dbraw/zinc/58/35/14/560583514.db2.gz XHWBTKWQHDGJAQ-OAQYLSRUSA-N 0 0 407.432 4.923 50 0 HJAARN CCOC(=O)c1sc(NC(=O)/C=C/c2ccccc2Cl)c(C(=O)OCC)c1C ZINC000001903821 560583647 /nfs/dbraw/zinc/58/36/47/560583647.db2.gz LZSLXHDRHHBGPL-ZHACJKMWSA-N 0 0 421.902 4.715 50 0 HJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)C1 ZINC000005412649 560584446 /nfs/dbraw/zinc/58/44/46/560584446.db2.gz FTZLPFMJGUEJMY-LJQANCHMSA-N 0 0 402.494 4.626 50 0 HJAARN COc1cc2c(cc1OC)[C@H](C)N(CC(=O)Nc1ccc(Cl)c(Cl)c1)CC2 ZINC000005429402 560586497 /nfs/dbraw/zinc/58/64/97/560586497.db2.gz IHDHYXCRCHQEJB-LBPRGKRZSA-N 0 0 409.313 4.568 50 0 HJAARN COc1ccc(-c2cc(C(=O)OCC(=O)NC3CCCCC3)c3ccccc3n2)cc1 ZINC000002642342 560586909 /nfs/dbraw/zinc/58/69/09/560586909.db2.gz DMWYACFAZPXTIT-UHFFFAOYSA-N 0 0 418.493 4.516 50 0 HJAARN CCOc1ccc2ccccc2c1C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1 ZINC000005440237 560587633 /nfs/dbraw/zinc/58/76/33/560587633.db2.gz OTWIEGIIQPLGKT-UHFFFAOYSA-N 0 0 404.466 4.626 50 0 HJAARN Cn1c(SCC(=O)c2ccc(OC(F)F)cc2)nnc1-c1ccccc1Cl ZINC000005448585 560588286 /nfs/dbraw/zinc/58/82/86/560588286.db2.gz CHSKRLQMTGZUNG-UHFFFAOYSA-N 0 0 409.845 4.712 50 0 HJAARN CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1ccc(Cl)cc1Cl ZINC000005451554 560589056 /nfs/dbraw/zinc/58/90/56/560589056.db2.gz MNFOQBLPYPXZTH-UHFFFAOYSA-N 0 0 406.269 4.714 50 0 HJAARN CCc1cccc(CC)c1NC(=O)COC(=O)CCCc1nc2ccccc2s1 ZINC000003332810 560593428 /nfs/dbraw/zinc/59/34/28/560593428.db2.gz NREOQEBBJSOIKN-UHFFFAOYSA-N 0 0 410.539 4.926 50 0 HJAARN COc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1 ZINC000003337532 560593577 /nfs/dbraw/zinc/59/35/77/560593577.db2.gz VTKIXRHLAWLEFK-UHFFFAOYSA-N 0 0 410.853 4.967 50 0 HJAARN O=C(CCSc1ccc(F)cc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000003421334 560594358 /nfs/dbraw/zinc/59/43/58/560594358.db2.gz FYJFPKVQDASNQN-UHFFFAOYSA-N 0 0 410.518 4.932 50 0 HJAARN CC1(C)c2ccccc2N2CC(=O)N[C@@]21/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000005477763 560594800 /nfs/dbraw/zinc/59/48/00/560594800.db2.gz HZKBAAWJGMMBIJ-HPEPBICTSA-N 0 0 410.517 4.903 50 0 HJAARN CSc1nc2c3c4c(c(-c5ccco5)nc3sc2c(NCCCO)n1)CCC4 ZINC000005478171 560595037 /nfs/dbraw/zinc/59/50/37/560595037.db2.gz LUBZIFYYINIMJN-UHFFFAOYSA-N 0 0 412.540 4.504 50 0 HJAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2c(C)ccc(C)c2C)c1 ZINC000003473806 560595621 /nfs/dbraw/zinc/59/56/21/560595621.db2.gz QNNXQTJQLYFBAO-UHFFFAOYSA-N 0 0 409.935 4.515 50 0 HJAARN CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(C)cc2)o1 ZINC000005500546 560598467 /nfs/dbraw/zinc/59/84/67/560598467.db2.gz NYMYSLZUQYHSRI-HNNXBMFYSA-N 0 0 409.577 4.989 50 0 HJAARN Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)N(Cc1ccccc1)C(C)C ZINC000005519880 560603182 /nfs/dbraw/zinc/60/31/82/560603182.db2.gz GDDMIUNYHKIZMX-UHFFFAOYSA-N 0 0 408.523 4.713 50 0 HJAARN Clc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@@H](c1cccnc1)N1NC=NC1=N2 ZINC000005516536 560604504 /nfs/dbraw/zinc/60/45/04/560604504.db2.gz PWKDSKMQHOTDTE-FGZHOGPDSA-N 0 0 413.868 4.539 50 0 HJAARN COc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(F)c2)cc1 ZINC000005532653 560606050 /nfs/dbraw/zinc/60/60/50/560606050.db2.gz ZMICLCGILKVNKM-JOCHJYFZSA-N 0 0 415.420 4.686 50 0 HJAARN CNC(=O)/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)NC(=O)c1ccc(Cl)cc1 ZINC000004892313 560615396 /nfs/dbraw/zinc/61/53/96/560615396.db2.gz AUIQSFNFVADHGE-LDADJPATSA-N 0 0 415.276 4.770 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nccn2-c2ccc(C)cc2C)cc1 ZINC000004894607 560615490 /nfs/dbraw/zinc/61/54/90/560615490.db2.gz UAXWSYKWNLSACU-INIZCTEOSA-N 0 0 408.527 4.567 50 0 HJAARN COc1ccc(-c2cnc(N)nc2-c2ccc(OCc3ccccc3C)cc2O)cc1 ZINC000005563052 560618974 /nfs/dbraw/zinc/61/89/74/560618974.db2.gz MSFGCPHGDLBNRW-UHFFFAOYSA-N 0 0 413.477 4.994 50 0 HJAARN O=C(COC(=O)CC12CC3CC(CC(C3)C1)C2)Nc1ccc(N2CCCCC2)cc1 ZINC000005397784 560625482 /nfs/dbraw/zinc/62/54/82/560625482.db2.gz VPTSGPMLBJNZFX-UHFFFAOYSA-N 0 0 410.558 4.765 50 0 HJAARN C[C@@H](CCc1ccccc1)NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 ZINC000005333552 560626021 /nfs/dbraw/zinc/62/60/21/560626021.db2.gz HEHCEWYMVJDOCE-INIZCTEOSA-N 0 0 424.545 4.649 50 0 HJAARN Cc1ccccc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Oc1ccccc1 ZINC000003117997 560627578 /nfs/dbraw/zinc/62/75/78/560627578.db2.gz JKDOSSDQZVGBRR-QHCPKHFHSA-N 0 0 413.477 4.815 50 0 biogenic,in-vitro HJAARN Cc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2OCC(=O)N2CCCCC2)cc1 ZINC000005606459 560629971 /nfs/dbraw/zinc/62/99/71/560629971.db2.gz MNNYCEXBJSHYGI-UHFFFAOYSA-N 0 0 411.885 4.813 50 0 HJAARN COc1cc(/C=C/C(=O)OCC(=O)Nc2ccccc2C(C)C)cc(Cl)c1OC ZINC000006599051 560631868 /nfs/dbraw/zinc/63/18/68/560631868.db2.gz VBNLLRWFKFAVLN-MDZDMXLPSA-N 0 0 417.889 4.676 50 0 HJAARN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccccc1C(F)(F)F ZINC000007166556 560635099 /nfs/dbraw/zinc/63/50/99/560635099.db2.gz CWGCTATYQCVQID-UHFFFAOYSA-N 0 0 400.404 4.943 50 0 HJAARN O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000014702225 560636440 /nfs/dbraw/zinc/63/64/40/560636440.db2.gz LYFTUJBYGYMQSI-UHFFFAOYSA-N 0 0 418.877 4.945 50 0 HJAARN CCOc1ccc(C(=O)NCc2c(-c3ccc(Cl)cc3)nc3n2CCS3)cc1 ZINC000017307409 560707567 /nfs/dbraw/zinc/70/75/67/560707567.db2.gz NSHHOGIUXWAXOC-UHFFFAOYSA-N 0 0 413.930 4.638 50 0 HJAARN CCOc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 ZINC000017307475 560707568 /nfs/dbraw/zinc/70/75/68/560707568.db2.gz LUQUKRWEDFKJSN-UHFFFAOYSA-N 0 0 400.478 4.931 50 0 HJAARN Cc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(OC(C)C)cc4)c3)nn12 ZINC000000679725 560725166 /nfs/dbraw/zinc/72/51/66/560725166.db2.gz KEHQSVKKPGGFDW-UHFFFAOYSA-N 0 0 407.499 4.509 50 0 HJAARN O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1ccc(SC(F)F)cc1 ZINC000006376241 560728205 /nfs/dbraw/zinc/72/82/05/560728205.db2.gz PQDWXWMBTZORMZ-UHFFFAOYSA-N 0 0 418.465 4.987 50 0 HJAARN CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC000017903397 560730017 /nfs/dbraw/zinc/73/00/17/560730017.db2.gz FXTDZDPFWIBBMS-INIZCTEOSA-N 0 0 403.526 4.566 50 0 HJAARN O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccccc1 ZINC000002225078 560730915 /nfs/dbraw/zinc/73/09/15/560730915.db2.gz GNSYQRMBBCJTQH-UHFFFAOYSA-N 0 0 405.504 4.796 50 0 HJAARN Cc1ccc(Cl)c2s/c(=N\C(=O)c3ccc(Br)s3)n(C)c21 ZINC000100823869 560759069 /nfs/dbraw/zinc/75/90/69/560759069.db2.gz PKQUYSFPTUBSJW-VKAVYKQESA-N 0 0 401.738 4.767 50 0 HJAARN CCCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)CC(c1ccc(Cl)cc1)=N2 ZINC000100902036 560762428 /nfs/dbraw/zinc/76/24/28/560762428.db2.gz CVUYCVXIDQBQLW-GOSISDBHSA-N 0 0 411.868 4.865 50 0 HJAARN COc1ccc([C@@H]2CC(c3ccccc3)=Nc3nc(NC(=O)c4ccccc4)nn32)cc1 ZINC000101023555 560766777 /nfs/dbraw/zinc/76/67/77/560766777.db2.gz BSLHCQSXMDJENY-QFIPXVFZSA-N 0 0 423.476 4.595 50 0 HJAARN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nc(C3CC3)nc3ccccc32)c1C ZINC000010943590 560771064 /nfs/dbraw/zinc/77/10/64/560771064.db2.gz FEKHHZCWNLQESP-ZDUSSCGKSA-N 0 0 409.511 4.602 50 0 HJAARN O=C(CCCn1nc(-c2ccccc2)ccc1=O)Nc1ccc(Cl)cc1Cl ZINC000011693290 560773558 /nfs/dbraw/zinc/77/35/58/560773558.db2.gz RBEOSQOWYDIHRF-UHFFFAOYSA-N 0 0 402.281 4.636 50 0 HJAARN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3[C@H](C)CCC[C@@H]3C)ccc2C)cc1 ZINC000018084356 560774978 /nfs/dbraw/zinc/77/49/78/560774978.db2.gz FPYXHRIONRJIBX-HDICACEKSA-N 0 0 400.544 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CC(C)c1ccc(N2C[C@H](C(=O)Nc3ccccc3Br)CC2=O)cc1 ZINC000000635617 568456607 /nfs/dbraw/zinc/45/66/07/568456607.db2.gz XPWZFTNYNOPLBC-OAHLLOKOSA-N 0 0 401.304 4.564 50 0 HJAARN COc1cccc(CNC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)c1OC ZINC000006780547 568459199 /nfs/dbraw/zinc/45/91/99/568459199.db2.gz AXDLCNWACINPOL-UHFFFAOYSA-N 0 0 421.522 4.651 50 0 HJAARN Cc1ccc(N(Cc2ccc(C(=O)Nc3ccccc3)cc2)S(C)(=O)=O)cc1C ZINC000000653201 568459669 /nfs/dbraw/zinc/45/96/69/568459669.db2.gz MKNZTGQTCLYYAN-UHFFFAOYSA-N 0 0 408.523 4.522 50 0 HJAARN CC[C@@H](C(=O)Nc1cc(F)ccc1F)n1nc(C)c2sc3ccccc3c2c1=O ZINC000006799337 568459718 /nfs/dbraw/zinc/45/97/18/568459718.db2.gz JXLIJMNOFIYFLN-INIZCTEOSA-N 0 0 413.449 4.788 50 0 HJAARN Cc1ccc(NC(=O)c2cc3c(s2)-c2ccccc2S(=O)(=O)C3)c(Cl)c1 ZINC000006808411 568459894 /nfs/dbraw/zinc/45/98/94/568459894.db2.gz CMANTFMOMDIONI-UHFFFAOYSA-N 0 0 403.912 4.917 50 0 HJAARN COc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000000659321 568460067 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C[C@@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccccc1 ZINC000000825715 568498674 /nfs/dbraw/zinc/49/86/74/568498674.db2.gz WJJLJYVRHMKFPI-IQGLISFBSA-N 0 0 416.546 4.952 50 0 HJAARN Cc1nc(NC(=O)Cc2c(F)cccc2Cl)sc1-c1nccn1C(F)F ZINC000022753469 568500144 /nfs/dbraw/zinc/50/01/44/568500144.db2.gz AMTKFUHKUVPHCN-UHFFFAOYSA-N 0 0 400.813 4.684 50 0 HJAARN Cc1nn(-c2ccc(C(=O)NNc3ccccc3C(F)(F)F)cc2)c(C)c1Cl ZINC000095349158 568501243 /nfs/dbraw/zinc/50/12/43/568501243.db2.gz QCRAOSNSTOCPEC-UHFFFAOYSA-N 0 0 408.811 4.918 50 0 HJAARN O=S(=O)(c1ccc2ccccc2c1)N1CCn2cccc2[C@@H]1c1ccc(F)c(F)c1 ZINC000012361499 568509522 /nfs/dbraw/zinc/50/95/22/568509522.db2.gz RJAHLBCQJDKJPB-QHCPKHFHSA-N 0 0 424.472 4.713 50 0 HJAARN O=S(=O)(c1ccc2ccccc2c1)N1CCn2cccc2[C@H]1c1ccc(F)c(F)c1 ZINC000012361502 568509549 /nfs/dbraw/zinc/50/95/49/568509549.db2.gz RJAHLBCQJDKJPB-HSZRJFAPSA-N 0 0 424.472 4.713 50 0 HJAARN COc1ccc(CN2[C@@H](c3cc(C)ccc3C)Nc3ccccc3S2(=O)=O)cc1 ZINC000032986933 568510516 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Cc1ccc2ncn(C3CCN(C(=O)Nc4ccc(C)c(Cl)c4)CC3)c(=O)c2c1 ZINC000033278474 568512636 /nfs/dbraw/zinc/51/26/36/568512636.db2.gz WARURALNIVVZIJ-UHFFFAOYSA-N 0 0 410.905 4.536 50 0 HJAARN COc1ccc(-c2noc(CC3CCN(C(=O)/C=C/c4ccc(C)cc4)CC3)n2)cc1 ZINC000033299173 568513307 /nfs/dbraw/zinc/51/33/07/568513307.db2.gz LQTPKSOLNVHAEY-KPKJPENVSA-N 0 0 417.509 4.548 50 0 HJAARN CC1CCN(c2ccc(-c3noc(CCC(=O)NCCC4=CCCCC4)n3)cc2)CC1 ZINC000033283364 568513516 /nfs/dbraw/zinc/51/35/16/568513516.db2.gz BTGZLXLBAUCABZ-UHFFFAOYSA-N 0 0 422.573 4.912 50 0 HJAARN COc1ccc(C)cc1NC(=O)CSc1nccnc1Sc1cccc(C)c1 ZINC000033289066 568513607 /nfs/dbraw/zinc/51/36/07/568513607.db2.gz RXUBCJUREBLTBO-UHFFFAOYSA-N 0 0 411.552 4.984 50 0 HJAARN CCOc1ccc(NS(=O)(=O)c2cc(-c3nc(C)c(C)s3)sc2C)cc1 ZINC000033290046 568513630 /nfs/dbraw/zinc/51/36/30/568513630.db2.gz FDPVPFDJPDKNDB-UHFFFAOYSA-N 0 0 408.570 4.996 50 0 HJAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCCC2)NCc1ccccc1Cl ZINC000033670980 568516766 /nfs/dbraw/zinc/51/67/66/568516766.db2.gz QZHAJLALZSBKTA-UHFFFAOYSA-N 0 0 422.912 4.630 50 0 HJAARN CCC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl ZINC000024977906 568517394 /nfs/dbraw/zinc/51/73/94/568517394.db2.gz CWBRFSASRUHUSM-IFXJQAMLSA-N 0 0 407.341 4.639 50 0 HJAARN O=C1N(Cc2c(Cl)cccc2Cl)c2ccccc2[C@@]1(O)[C@@H]1CCCCCC1=O ZINC000012377244 568551026 /nfs/dbraw/zinc/55/10/26/568551026.db2.gz OEHWBUQTATWGLB-OPAMFIHVSA-N 0 0 418.320 4.877 50 0 HJAARN CCOC(=O)c1cnn(-c2cc(Oc3cc(C)cc(C)c3)nc(C)n2)c1C(F)(F)F ZINC000019910303 568585729 /nfs/dbraw/zinc/58/57/29/568585729.db2.gz BBEZTPLFOFROAJ-UHFFFAOYSA-N 0 0 420.391 4.575 50 0 HJAARN Cc1nc(-c2cccs2)c(CCC(=O)N2CCN(c3cccc(C)c3)CC2)s1 ZINC000019933175 568586019 /nfs/dbraw/zinc/58/60/19/568586019.db2.gz OOLBWXOMGCNNLU-UHFFFAOYSA-N 0 0 411.596 4.770 50 0 HJAARN C[C@@H]1CCC[C@H](n2c(SCc3cccc(C(N)=O)c3)nc3ccccc3c2=O)[C@@H]1C ZINC000095349918 568600728 /nfs/dbraw/zinc/60/07/28/568600728.db2.gz UBPMOCMOHRLGNE-ZOCZFRKYSA-N 0 0 421.566 4.785 50 0 HJAARN COc1cc(-c2nc3c(c(=S)[nH]2)Cc2cc(Cl)ccc2O3)cc(OC)c1O ZINC000020380628 568602565 /nfs/dbraw/zinc/60/25/65/568602565.db2.gz CJGXJAREYVYYBZ-UHFFFAOYSA-N 0 0 402.859 4.879 50 0 HJAARN C[C@@]1(C(=O)NC2CCCCCC2)Cc2ccccc2C(=O)N1CCc1ccccc1 ZINC000020386777 568603527 /nfs/dbraw/zinc/60/35/27/568603527.db2.gz LAGXMAMSSDNKBY-SANMLTNESA-N 0 0 404.554 4.525 50 0 HJAARN CCO[C@@H](C)c1nc(Cn2nc(-c3ccc(Br)cc3)nc2C)cs1 ZINC000095401594 568605253 /nfs/dbraw/zinc/60/52/53/568605253.db2.gz GDBUDGOJPDZXKJ-NSHDSACASA-N 0 0 407.337 4.618 50 0 HJAARN COc1ccccc1-c1nn(CCC(=O)NC2CCCCC2)c2nc(C)cc(C)c12 ZINC000020437558 568607116 /nfs/dbraw/zinc/60/71/16/568607116.db2.gz JIVWBIXYRRELBG-UHFFFAOYSA-N 0 0 406.530 4.563 50 0 HJAARN Cn1cc(C[C@H]2CCN(C(=O)Nc3sc(C4CC4)nc3-c3ccccc3)C2)cn1 ZINC000095430193 568608639 /nfs/dbraw/zinc/60/86/39/568608639.db2.gz PLYHBOVLBKPEPC-OAHLLOKOSA-N 0 0 407.543 4.518 50 0 HJAARN CC[C@@H](C(=O)Nc1cc(F)ccc1F)n1nc(-c2ccccc2)c2c(c1=O)CCCC2 ZINC000020463875 568609914 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Cc1ccc(OC2CCN([C@@H](C)C(=O)Nc3cccc(Cl)c3Cl)CC2)nc1 ZINC000095462516 568621552 /nfs/dbraw/zinc/62/15/52/568621552.db2.gz ZMFJPWBFOUWPLM-AWEZNQCLSA-N 0 0 408.329 4.567 50 0 HJAARN C[C@@H](NC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1)c1ccccc1Cl ZINC000095463389 568621992 /nfs/dbraw/zinc/62/19/92/568621992.db2.gz YEMHMDRTCWOVGT-SNVBAGLBSA-N 0 0 402.850 4.564 50 0 HJAARN C[C@H](NC(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1)c1ccccc1Cl ZINC000095463388 568622000 /nfs/dbraw/zinc/62/20/00/568622000.db2.gz YEMHMDRTCWOVGT-JTQLQIEISA-N 0 0 402.850 4.564 50 0 HJAARN COCCOc1ccc(CNC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1 ZINC000040134215 568622027 /nfs/dbraw/zinc/62/20/27/568622027.db2.gz NDJPMFUJGSFIHE-UHFFFAOYSA-N 0 0 424.111 4.650 50 0 HJAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000095465103 568623221 /nfs/dbraw/zinc/62/32/21/568623221.db2.gz PXQFFAPLSDZAFK-JKSUJKDBSA-N 0 0 411.889 4.535 50 0 HJAARN O=C([C@H](c1ccccc1)N1Cc2ccccc2C1=O)N1CC=C(c2ccccc2)CC1 ZINC000020531031 568626816 /nfs/dbraw/zinc/62/68/16/568626816.db2.gz BSBKBWJXFCBOJZ-VWLOTQADSA-N 0 0 408.501 4.700 50 0 HJAARN O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)N1CCO[C@H](c2ccccc2)C1 ZINC000095473895 568629094 /nfs/dbraw/zinc/62/90/94/568629094.db2.gz LNWAFMUNPQEDPZ-GMAHTHKFSA-N 0 0 408.929 4.916 50 0 HJAARN COc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCCCC2)cc1 ZINC000095474400 568629426 /nfs/dbraw/zinc/62/94/26/568629426.db2.gz CFLZRJPULJQTAV-LJQANCHMSA-N 0 0 401.532 4.895 50 0 HJAARN COc1ccc(-c2noc(CN(C)C(=O)CCSc3ccc(Cl)cc3)n2)cc1 ZINC000095481675 568633946 /nfs/dbraw/zinc/63/39/46/568633946.db2.gz SEBVNPZUFAOFSX-UHFFFAOYSA-N 0 0 417.918 4.539 50 0 HJAARN Cc1noc(C[C@@H](NC(=O)c2cccc(Br)c2Cl)c2ccccc2)n1 ZINC000225442103 568638316 /nfs/dbraw/zinc/63/83/16/568638316.db2.gz SOYHVCHIDAXOAL-OAHLLOKOSA-N 0 0 420.694 4.508 50 0 HJAARN O=C(c1ccccc1F)N1N=C(c2cccs2)C[C@H]1c1cnc2ccccc2n1 ZINC000225510590 568645121 /nfs/dbraw/zinc/64/51/21/568645121.db2.gz YOENBPIYQPNQGN-FQEVSTJZSA-N 0 0 402.454 4.822 50 0 HJAARN COc1ccc([C@](O)(CC(C)C)[C@@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020868284 568647119 /nfs/dbraw/zinc/64/71/19/568647119.db2.gz MDDIGKZIVUQBLA-BJKOFHAPSA-N 0 0 417.977 4.698 50 0 HJAARN COc1ccc(-c2noc([C@H](C)NC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1OC ZINC000020888860 568647411 /nfs/dbraw/zinc/64/74/11/568647411.db2.gz ANPHBXSFQYDPFG-AWEZNQCLSA-N 0 0 409.486 4.542 50 0 HJAARN Cc1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c(C)cc1Br ZINC000225538625 568648748 /nfs/dbraw/zinc/64/87/48/568648748.db2.gz RCHYTQKDSVWQOP-UHFFFAOYSA-N 0 0 422.388 4.709 50 0 HJAARN CS(=O)(=O)Nc1cccc(NC(=O)/C=C/c2sc3ccccc3c2Cl)c1 ZINC000029163048 568649286 /nfs/dbraw/zinc/64/92/86/568649286.db2.gz QQYSRIQEJSTAOI-MDZDMXLPSA-N 0 0 406.916 4.578 50 0 HJAARN COc1cc(OC)cc(C(=O)Nc2c3ccccc3oc2C(=O)N2CCC(C)CC2)c1 ZINC000020900619 568649611 /nfs/dbraw/zinc/64/96/11/568649611.db2.gz LXHPCAMJKVDEPP-UHFFFAOYSA-N 0 0 422.481 4.574 50 0 HJAARN Cc1cccc(OCC(=O)Nc2c3ccccc3oc2C(=O)N2CCC(C)CC2)c1 ZINC000020900627 568649869 /nfs/dbraw/zinc/64/98/69/568649869.db2.gz JTVWFJYUSJIIED-UHFFFAOYSA-N 0 0 406.482 4.631 50 0 HJAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1c1cccc(Cl)c1 ZINC000020903010 568650433 /nfs/dbraw/zinc/65/04/33/568650433.db2.gz CMLCFIPDKWPWDZ-DEOSSOPVSA-N 0 0 421.928 4.773 50 0 HJAARN COc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1OC ZINC000020903916 568650597 /nfs/dbraw/zinc/65/05/97/568650597.db2.gz OHMZVYJZAPHBFU-UHFFFAOYSA-N 0 0 420.296 4.816 50 0 HJAARN O=S(=O)(NCc1ccc(Cl)cc1)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000020977502 568653874 /nfs/dbraw/zinc/65/38/74/568653874.db2.gz RPQBTULGYNFDKL-UHFFFAOYSA-N 0 0 422.837 4.554 50 0 HJAARN C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000020977823 568653922 /nfs/dbraw/zinc/65/39/22/568653922.db2.gz LKTOEPNZFKUGTM-JTQLQIEISA-N 0 0 414.430 4.562 50 0 HJAARN Cc1cc2c(cc1S(=O)(=O)Nc1cc(F)ccc1F)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000020990006 568655453 /nfs/dbraw/zinc/65/54/53/568655453.db2.gz SJJQUCWUCBMNHH-UHFFFAOYSA-N 0 0 418.465 4.710 50 0 HJAARN C[C@H](NC(=O)c1ccc(N2CCOc3ccccc32)s1)c1ccc2c(c1)OCCO2 ZINC000020992044 568656036 /nfs/dbraw/zinc/65/60/36/568656036.db2.gz VNZRSLYSBMKTGB-HNNXBMFYSA-N 0 0 422.506 4.541 50 0 HJAARN CC(C)(C)OC(=O)c1ccc(CN2CCN(c3nccc4ccsc43)CC2)cc1 ZINC000095891443 568657555 /nfs/dbraw/zinc/65/75/55/568657555.db2.gz KSTLDUWJKVUEQH-UHFFFAOYSA-N 0 0 409.555 4.574 50 0 in-vitro HJAARN COc1cccc(Cn2c(C)c(C[NH2+]CCc3ccc(C)cc3)c(C(=O)[O-])c2C)c1 ZINC000021024622 568658504 /nfs/dbraw/zinc/65/85/04/568658504.db2.gz PXLZYWYMDFBFCF-UHFFFAOYSA-N 0 0 406.526 4.501 50 0 HJAARN Cc1c(C[NH2+]CCCN(C)c2ccccc2)c(C(=O)[O-])c(C)n1-c1ccc(C)cc1 ZINC000021025524 568658758 /nfs/dbraw/zinc/65/87/58/568658758.db2.gz OUAXDDIMKAFSNU-UHFFFAOYSA-N 0 0 405.542 4.717 50 0 HJAARN Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)Nc1cccc(-c2ccno2)c1 ZINC000021034333 568659543 /nfs/dbraw/zinc/65/95/43/568659543.db2.gz XSCSGRTWHYMGER-UHFFFAOYSA-N 0 0 421.478 4.983 50 0 HJAARN Cc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(Br)c(C)c3)cc2)o1 ZINC000021032082 568659600 /nfs/dbraw/zinc/65/96/00/568659600.db2.gz YCPSJAPWROCWLO-UHFFFAOYSA-N 0 0 407.289 4.522 50 0 HJAARN COc1cccc(N2CCN(C(=O)c3cc4c(s3)-c3cc(C)sc3CC4)CC2)c1 ZINC000021043729 568659992 /nfs/dbraw/zinc/65/99/92/568659992.db2.gz FSIPBWFZJOYVSO-UHFFFAOYSA-N 0 0 424.591 4.855 50 0 HJAARN O=C1CN(C(=S)NCc2ccccc2)[C@H](c2ccc(Cl)cc2)c2ccccc2N1 ZINC000095945174 568663419 /nfs/dbraw/zinc/66/34/19/568663419.db2.gz FVTGZLCIYLZJSC-JOCHJYFZSA-N 0 0 421.953 4.758 50 0 HJAARN CCC(=O)N1N=C(c2ccccc2OC)C[C@@H]1c1cc2ccc(OC)cc2nc1Cl ZINC000095945287 568663432 /nfs/dbraw/zinc/66/34/32/568663432.db2.gz FEKNAITXKKHKEV-HXUWFJFHSA-N 0 0 423.900 4.993 50 0 HJAARN CC(=O)N1N=C(c2ccc(C)o2)O[C@H]1c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000021092792 568664508 /nfs/dbraw/zinc/66/45/08/568664508.db2.gz FYOCLFBOTKRUDW-QFIPXVFZSA-N 0 0 423.856 4.733 50 0 HJAARN COCCn1c(-c2cccc(OC)c2)cnc1NC(=O)Nc1cccc(Cl)c1 ZINC000021094383 568664690 /nfs/dbraw/zinc/66/46/90/568664690.db2.gz LARYWSUOHWENLP-UHFFFAOYSA-N 0 0 400.866 4.503 50 0 HJAARN Cc1cc(C(=O)COC(=O)CSc2ccc(Cl)cc2)c(C)n1Cc1ccco1 ZINC000095946955 568664722 /nfs/dbraw/zinc/66/47/22/568664722.db2.gz ZKEJLEVZQXUVNK-UHFFFAOYSA-N 0 0 417.914 4.918 50 0 HJAARN O=C(Nc1cccc(OCc2cc(=O)n3ccccc3n2)c1)Nc1ccccc1Cl ZINC000021099544 568666277 /nfs/dbraw/zinc/66/62/77/568666277.db2.gz REOOEZFYGPNULY-UHFFFAOYSA-N 0 0 420.856 4.571 50 0 HJAARN Cc1nn(-c2ccccc2)c(-n2cccc2)c1CNC(=O)Nc1ccc(C)c(F)c1 ZINC000021100823 568666623 /nfs/dbraw/zinc/66/66/23/568666623.db2.gz OZAUHUCLGRKETA-UHFFFAOYSA-N 0 0 403.461 4.741 50 0 HJAARN CCOc1ccc(OCC)c(Nc2c3[nH]cccc-3c(=O)n2Cc2ccccc2)c1 ZINC000021107250 568667196 /nfs/dbraw/zinc/66/71/96/568667196.db2.gz CIRJXLXBTNXRTJ-QHCPKHFHSA-N 0 0 403.482 4.646 50 0 HJAARN COc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cc(C)c(Cl)cc2OC)cc1 ZINC000021106514 568667256 /nfs/dbraw/zinc/66/72/56/568667256.db2.gz CHWZNBXTYWJJDS-OAQYLSRUSA-N 0 0 409.873 4.832 50 0 HJAARN C[C@H]1CN(C(=O)C2(c3cccc(Br)c3)CCOCC2)c2ccccc21 ZINC000095953229 568668021 /nfs/dbraw/zinc/66/80/21/568668021.db2.gz UCGGIZIGYSHAAA-HNNXBMFYSA-N 0 0 400.316 4.648 50 0 HJAARN CCOC(=O)CC1=CC(SCC(=O)Nc2ccc(C)c(C)c2)=Nc2ccccc2N1 ZINC000021152641 568672641 /nfs/dbraw/zinc/67/26/41/568672641.db2.gz UHHAOWQKQNBXNL-UHFFFAOYSA-N 0 0 423.538 4.968 50 0 HJAARN Cc1ccc(S(=O)(=O)N2N=C(c3ccsc3)C[C@H]2c2cccc(F)c2)cc1 ZINC000225782345 568674498 /nfs/dbraw/zinc/67/44/98/568674498.db2.gz UANHTZUECMIFIZ-FQEVSTJZSA-N 0 0 400.500 4.736 50 0 HJAARN Cc1nc([C@@H]2CCCCCN2C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)no1 ZINC000096001124 568681159 /nfs/dbraw/zinc/68/11/59/568681159.db2.gz GCXSRBXZSFKMSX-SFHVURJKSA-N 0 0 421.526 4.844 50 0 HJAARN COc1ccc(C(=O)Nc2ccc(Cc3nc(-c4ccccc4)no3)cc2)cc1OC ZINC000021362478 568690389 /nfs/dbraw/zinc/69/03/89/568690389.db2.gz KIPNPTWYNSRLOE-UHFFFAOYSA-N 0 0 415.449 4.597 50 0 HJAARN COc1cccc(NC(=O)N(Cc2cnc3ccccn23)c2ccccc2)c1OC ZINC000096103003 568691625 /nfs/dbraw/zinc/69/16/25/568691625.db2.gz YVOJMZOVENEMIS-UHFFFAOYSA-N 0 0 402.454 4.590 50 0 HJAARN CSc1ccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)cc1 ZINC000096117741 568697292 /nfs/dbraw/zinc/69/72/92/568697292.db2.gz ICPMPYFLXGEICV-RHSMWYFYSA-N 0 0 403.573 4.915 50 0 HJAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2cccc(OC(F)F)c2)S1 ZINC000096117958 568697532 /nfs/dbraw/zinc/69/75/32/568697532.db2.gz HLYYHQLIGMENQV-XJKSGUPXSA-N 0 0 423.485 4.794 50 0 HJAARN O=C(c1csc(-c2ccccc2)n1)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 ZINC000096119020 568698685 /nfs/dbraw/zinc/69/86/85/568698685.db2.gz URJURYFPFQSEOH-HNNXBMFYSA-N 0 0 422.535 4.941 50 0 HJAARN O=C(CCc1ccccc1Br)NCc1cccc(Oc2ccccn2)c1 ZINC000096122531 568700198 /nfs/dbraw/zinc/70/01/98/568700198.db2.gz SDFCNJUAURTXCG-UHFFFAOYSA-N 0 0 411.299 4.885 50 0 HJAARN COc1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3C)no2)cc1 ZINC000021524699 568709293 /nfs/dbraw/zinc/70/92/93/568709293.db2.gz PDLKIIYNYKQOPS-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN CCOC(=O)c1c(NC(=O)N2CCn3c(C)ccc3[C@@H]2CC)sc2c1CCCC2 ZINC000021525806 568709422 /nfs/dbraw/zinc/70/94/22/568709422.db2.gz BKOMRFATGROQOX-INIZCTEOSA-N 0 0 415.559 4.912 50 0 HJAARN CCN(CC)c1ccc2cc(C(=O)Nc3cccc(Br)c3)c(=O)oc2c1 ZINC000000845987 568710702 /nfs/dbraw/zinc/71/07/02/568710702.db2.gz GVEIZZXIDLKZKH-UHFFFAOYSA-N 0 0 415.287 4.654 50 0 HJAARN CCCn1c(C(=O)NCCc2ccccn2)cc2cc(NC(=O)CC(C)(C)C)ccc21 ZINC000096275242 568714337 /nfs/dbraw/zinc/71/43/37/568714337.db2.gz BLRKHNMKWNOCOZ-UHFFFAOYSA-N 0 0 420.557 4.794 50 0 HJAARN C[C@@H](C(=O)NCc1ccncc1)n1c(Cc2cccc(Cl)c2)nc2ccccc21 ZINC000096279040 568717224 /nfs/dbraw/zinc/71/72/24/568717224.db2.gz ZGYUOKKRUXNQIU-INIZCTEOSA-N 0 0 404.901 4.553 50 0 HJAARN COc1ccc(Cl)cc1-n1c(N)c(C(=O)NCc2ccc(C)cc2)sc1=S ZINC000012416085 568717760 /nfs/dbraw/zinc/71/77/60/568717760.db2.gz KFKLYFDTTLMQMO-UHFFFAOYSA-N 0 0 419.959 4.751 50 0 HJAARN CCCCn1c(=O)c2ccccc2nc1SCc1nc(-c2ccc(OC)cc2)no1 ZINC000012415715 568718022 /nfs/dbraw/zinc/71/80/22/568718022.db2.gz KFJCFIPDLWLHJX-UHFFFAOYSA-N 0 0 422.510 4.548 50 0 HJAARN O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000096281361 568718691 /nfs/dbraw/zinc/71/86/91/568718691.db2.gz YQXAWRBSVCBOJJ-OAHLLOKOSA-N 0 0 416.321 4.716 50 0 HJAARN CC[C@H](C)C1=NS(=O)(=O)c2cc(NC(=O)c3ccco3)ccc2N1c1ccccc1 ZINC000096287024 568719290 /nfs/dbraw/zinc/71/92/90/568719290.db2.gz AHSCJXHDJYMXBS-HNNXBMFYSA-N 0 0 423.494 4.817 50 0 HJAARN O=C(Cn1c(Cc2ccccc2Cl)nc2cc(Cl)c(Cl)cc21)NC1CC1 ZINC000096291051 568720736 /nfs/dbraw/zinc/72/07/36/568720736.db2.gz GXTDDCMBMOKCEC-UHFFFAOYSA-N 0 0 408.716 4.866 50 0 HJAARN O=C(c1ccco1)N(CCc1nc(-c2ccc(Cl)cc2)no1)CCc1ccccc1 ZINC000096292879 568721431 /nfs/dbraw/zinc/72/14/31/568721431.db2.gz YLPCWWGPFBCWST-UHFFFAOYSA-N 0 0 421.884 4.911 50 0 HJAARN CC[C@H](C)N(Cc1ccc(OS(=O)(=O)c2c(C)cccc2Cl)cc1)C(C)=O ZINC000096294516 568722266 /nfs/dbraw/zinc/72/22/66/568722266.db2.gz BFDVDXJDTOOASX-HNNXBMFYSA-N 0 0 409.935 4.563 50 0 HJAARN CC[C@H](C)N(Cc1cccc(OS(=O)(=O)c2c(C)cccc2Cl)c1)C(C)=O ZINC000096294719 568722554 /nfs/dbraw/zinc/72/25/54/568722554.db2.gz BERYPFSIOQXVNM-HNNXBMFYSA-N 0 0 409.935 4.563 50 0 HJAARN COc1ccc(/C=C\C(=O)Oc2ccc(NC(=O)c3ccccc3OC)cc2)cc1 ZINC000096305068 568723323 /nfs/dbraw/zinc/72/33/23/568723323.db2.gz GOSBAQSJAXGAEC-SXGWCWSVSA-N 0 0 403.434 4.575 50 0 HJAARN Cc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(Cl)cc3Cl)n2)cc1 ZINC000012441139 568723789 /nfs/dbraw/zinc/72/37/89/568723789.db2.gz XVGRVBRPASHXDZ-UHFFFAOYSA-N 0 0 416.308 4.944 50 0 HJAARN Cc1cc(NC(=O)Cc2ccc(F)cc2)n(-c2nc(-c3ccc(C)cc3)cs2)n1 ZINC000012441915 568724578 /nfs/dbraw/zinc/72/45/78/568724578.db2.gz GJDMCUQNKXWUCK-UHFFFAOYSA-N 0 0 406.486 4.933 50 0 HJAARN Cc1cc(NC(=O)COc2ccccc2C)n(-c2nc(-c3ccc(C)cc3)cs2)n1 ZINC000012441909 568724638 /nfs/dbraw/zinc/72/46/38/568724638.db2.gz CDRDQBRYPXLLKK-UHFFFAOYSA-N 0 0 418.522 4.939 50 0 HJAARN COc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000000870111 568726556 /nfs/dbraw/zinc/72/65/56/568726556.db2.gz ZULRTUYHJROXKS-XMMPIXPASA-N 0 0 418.518 4.722 50 0 HJAARN Cc1cccc(-c2nnc(SCC(=O)NCc3ccccc3)n2-c2ccccc2)c1 ZINC000000870483 568726708 /nfs/dbraw/zinc/72/67/08/568726708.db2.gz SSIJULVEENWXIY-UHFFFAOYSA-N 0 0 414.534 4.651 50 0 HJAARN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(C)c2)ccc1F ZINC000003022275 568726805 /nfs/dbraw/zinc/72/68/05/568726805.db2.gz RADXLGOFFCEMPL-UHFFFAOYSA-N 0 0 412.486 4.602 50 0 HJAARN COc1ccc(-c2cc(C(=O)N[C@H](c3nc(-c4ccccc4)no3)C(C)C)no2)cc1 ZINC000238950419 568727505 /nfs/dbraw/zinc/72/75/05/568727505.db2.gz XZDZPXXIPWHZKJ-FQEVSTJZSA-N 0 0 418.453 4.527 50 0 HJAARN C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(Oc4ccc(Cl)cc4Cl)cc3)C(=O)[C@H]21 ZINC000239254582 568728581 /nfs/dbraw/zinc/72/85/81/568728581.db2.gz YKTVDFRFGDGFHY-FXHACXQTSA-N 0 0 402.277 5.487 50 0 HJAARN C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)Oc4ccc(C(C)(C)C)cc4)c3)C(=O)[C@H]2C1 ZINC000239247990 568728585 /nfs/dbraw/zinc/72/85/85/568728585.db2.gz XUVZOOARONHAFF-HVETUWLQSA-N 0 0 419.521 5.129 50 0 HJAARN Cc1ccc(-c2noc(Cn3nc(-c4ccc(C(C)C)cc4)ccc3=O)n2)cc1C ZINC000096322874 568731206 /nfs/dbraw/zinc/73/12/06/568731206.db2.gz ZLWMYKLRPTZDQH-UHFFFAOYSA-N 0 0 400.482 4.749 50 0 HJAARN Cc1ccc(-c2nc3sc4c(n3n2)CCN(C(=O)Nc2cc(C)ccc2C)C4)cc1 ZINC000096323845 568732953 /nfs/dbraw/zinc/73/29/53/568732953.db2.gz ABBYPYJGUZOGJC-UHFFFAOYSA-N 0 0 417.538 4.973 50 0 HJAARN O=c1c2ccccc2c(-c2nc(-c3ccncc3)no2)cn1-c1ccc(Cl)cc1 ZINC000096324388 568733641 /nfs/dbraw/zinc/73/36/41/568733641.db2.gz QBMAAMFJBSQKOS-UHFFFAOYSA-N 0 0 400.825 4.756 50 0 HJAARN COc1ccccc1NC(=O)CSc1nnc(COc2cccc3ccccc32)o1 ZINC000000877682 568733995 /nfs/dbraw/zinc/73/39/95/568733995.db2.gz UZEMEDNMYBKVHF-UHFFFAOYSA-N 0 0 421.478 4.541 50 0 HJAARN CCOC(=O)c1c(NC(=O)COc2ccc(F)cc2)sc2c1CC[C@@H](CC)C2 ZINC000000879535 568734966 /nfs/dbraw/zinc/73/49/66/568734966.db2.gz TXCPEDRPCKQLIV-CYBMUJFWSA-N 0 0 405.491 4.596 50 0 HJAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@H](c1ccc(F)c(F)c1)CC(=O)N2 ZINC000021661299 568736138 /nfs/dbraw/zinc/73/61/38/568736138.db2.gz CKXVJLMIHAGLIE-ZDUSSCGKSA-N 0 0 410.449 4.851 50 0 HJAARN CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCCc2ccccc2)C12CCCC2 ZINC000096344402 568737330 /nfs/dbraw/zinc/73/73/30/568737330.db2.gz ABUNHUPBGWDKIX-HSZRJFAPSA-N 0 0 404.554 4.698 50 0 HJAARN Cc1ccc(C(=O)N(C)CCc2noc(-c3cc4cc(Cl)ccc4[nH]3)n2)s1 ZINC000096349872 568738566 /nfs/dbraw/zinc/73/85/66/568738566.db2.gz QPYYHVRBEMKXNY-UHFFFAOYSA-N 0 0 400.891 4.556 50 0 HJAARN O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)N1CCCCCC1 ZINC000000885336 568738830 /nfs/dbraw/zinc/73/88/30/568738830.db2.gz NUWWQRNISPETQP-UHFFFAOYSA-N 0 0 421.488 4.756 50 0 HJAARN O=C(N1CC[C@]2(C1)CC(=O)c1ccccc1O2)C1(c2ccc(Cl)cc2)CCCC1 ZINC000096367445 568739664 /nfs/dbraw/zinc/73/96/64/568739664.db2.gz BGFLDPAFOIRAQW-HSZRJFAPSA-N 0 0 409.913 4.788 50 0 HJAARN COc1ccccc1[C@@H](CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)OC ZINC000096384761 568741761 /nfs/dbraw/zinc/74/17/61/568741761.db2.gz AFARZGKVFWGDRS-MRXNPFEDSA-N 0 0 421.337 4.850 50 0 HJAARN COc1ccc(NC(=O)c2cccc(-c3nc(-c4ccccc4)no3)c2)c(OC)c1 ZINC000021707577 568744530 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Cc1ccc(NC(=O)CCc2nc(CSc3nc4cc(C)ccc4o3)no2)cc1 ZINC000021721405 568750615 /nfs/dbraw/zinc/75/06/15/568750615.db2.gz GBSGYJDGDRYMCO-UHFFFAOYSA-N 0 0 408.483 4.691 50 0 HJAARN Cc1nnc(S[C@@H](C)C(=O)Nc2c(C)cccc2C)n1-c1cccc(Cl)c1 ZINC000000925061 568750762 /nfs/dbraw/zinc/75/07/62/568750762.db2.gz HMSYEOHQIHBWCY-AWEZNQCLSA-N 0 0 400.935 4.965 50 0 HJAARN Cc1cc(C)c(NC(=O)CCc2nc(CSc3nc4ccccc4o3)no2)c(C)c1 ZINC000021721594 568750826 /nfs/dbraw/zinc/75/08/26/568750826.db2.gz WHVIMCMREKNEHU-UHFFFAOYSA-N 0 0 422.510 5.000 50 0 HJAARN Cc1ccc(-c2nc(CN3CCC(C(=O)Nc4ccc(Cl)cc4C)CC3)no2)cc1 ZINC000021724421 568750971 /nfs/dbraw/zinc/75/09/71/568750971.db2.gz DLOCUYQAGNCPIX-UHFFFAOYSA-N 0 0 424.932 4.858 50 0 HJAARN Cc1ccc(-c2nc(CN3CCC(C(=O)Nc4ccc(C)cc4C)CC3)no2)cc1 ZINC000021724251 568750973 /nfs/dbraw/zinc/75/09/73/568750973.db2.gz UVZPBUMGTBYQAC-UHFFFAOYSA-N 0 0 404.514 4.513 50 0 HJAARN CCCOc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)cc1 ZINC000021725396 568751618 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HVPCIAPPSLNSDO-LJQANCHMSA-N 0 0 412.493 4.680 50 0 HJAARN Cc1ccc(N(Cc2nc3nc(C)cc(C)n3n2)C(=O)c2ccccc2Cl)cc1 ZINC000086066060 568755607 /nfs/dbraw/zinc/75/56/07/568755607.db2.gz QJWBCWDHEZVDAJ-UHFFFAOYSA-N 0 0 405.889 4.550 50 0 HJAARN COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@]21C ZINC000254292415 568756035 /nfs/dbraw/zinc/75/60/35/568756035.db2.gz XAAOVQCJMNBXLL-CRVNWHJASA-N 0 0 404.591 4.775 50 0 HJAARN COc1ccc(NC(=O)Cn2c(SCc3cccc(F)c3)nc3cccnc32)cc1 ZINC000021869462 568756060 /nfs/dbraw/zinc/75/60/60/568756060.db2.gz JWHVRTLKUXLUOC-UHFFFAOYSA-N 0 0 422.485 4.510 50 0 HJAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(O)cc2)n2nc(-c3ccccc3)nc2N1 ZINC000000950569 568756973 /nfs/dbraw/zinc/75/69/73/568756973.db2.gz DIBYQRWJGYVXNV-JOCHJYFZSA-N 0 0 423.476 4.578 50 0 HJAARN CCOc1cc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc(OCC)c1OCC ZINC000000951829 568757318 /nfs/dbraw/zinc/75/73/18/568757318.db2.gz QXMONTAQRMFSJM-UHFFFAOYSA-N 0 0 415.486 4.700 50 0 HJAARN Cc1ccc(Nc2ccc3cc(S(=O)(=O)N4CCC(C)CC4)ccc3n2)cc1F ZINC000021881945 568757337 /nfs/dbraw/zinc/75/73/37/568757337.db2.gz IVLQCULTKGBXIP-UHFFFAOYSA-N 0 0 413.518 4.847 50 0 HJAARN COC(=O)c1sc2ncn(Cc3c(Cl)ccc(Cl)c3Cl)c(=O)c2c1C ZINC000000957755 568757894 /nfs/dbraw/zinc/75/78/94/568757894.db2.gz NJYVLWYLVLZTRH-UHFFFAOYSA-N 0 0 417.701 4.562 50 0 HJAARN CC(=O)Nc1c2cc(Cl)ccc2oc1C(=O)c1coc2ccc(OC(C)=O)cc12 ZINC000096562087 568760129 /nfs/dbraw/zinc/76/01/29/568760129.db2.gz VTFRBIKXJUORCQ-UHFFFAOYSA-N 0 0 411.797 4.947 50 0 HJAARN CCn1cc(/C=C\C(=O)Nc2c(C)nn(Cc3ccc(Cl)c(Cl)c3)c2C)cn1 ZINC000096577556 568761386 /nfs/dbraw/zinc/76/13/86/568761386.db2.gz STWPMJKSCWQZEC-VURMDHGXSA-N 0 0 418.328 4.723 50 0 HJAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)COc1cccc(C)c1 ZINC000001000983 568761470 /nfs/dbraw/zinc/76/14/70/568761470.db2.gz VLTXBRZHIAYPIB-UHFFFAOYSA-N 0 0 409.507 4.842 50 0 HJAARN O=C1S/C(=C\c2ccc(O)c(Br)c2)C(=O)N1Cc1ccccc1F ZINC000001008714 568762027 /nfs/dbraw/zinc/76/20/27/568762027.db2.gz VUOXZJZZIRVZAS-NVNXTCNLSA-N 0 0 408.248 4.530 50 0 HJAARN CCC[C@@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)Nc3cccc(C)c3)N2C1=O ZINC000021936338 568762266 /nfs/dbraw/zinc/76/22/66/568762266.db2.gz PVVDJYUKFFFNRS-BEFAXECRSA-N 0 0 420.538 4.514 50 0 HJAARN CCC(C)(C)[C@@H]1CCc2nc3sc(C(=O)Nc4nnc(C)s4)c(N)c3cc2C1 ZINC000096581830 568762689 /nfs/dbraw/zinc/76/26/89/568762689.db2.gz RMGRFJYUMUJACP-GFCCVEGCSA-N 0 0 415.588 4.832 50 0 HJAARN COc1ccc(-c2nc3cc(NC(=O)COc4ccccc4OC)ccc3o2)cc1 ZINC000001010610 568762931 /nfs/dbraw/zinc/76/29/31/568762931.db2.gz BBEMBHDOCHROAR-UHFFFAOYSA-N 0 0 404.422 4.530 50 0 HJAARN CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1 ZINC000001012822 568763168 /nfs/dbraw/zinc/76/31/68/568763168.db2.gz UTRYIIFWLLCCNW-DQPIFXJKSA-N 0 0 410.495 4.539 50 0 HJAARN C[C@@H](NC(=O)COC(=O)/C=C\c1cccc2cccnc12)c1cccc2ccccc21 ZINC000096941186 568765499 /nfs/dbraw/zinc/76/54/99/568765499.db2.gz AVIZYQISZHKCHG-KGUUONHRSA-N 0 0 410.473 4.822 50 0 HJAARN CC(=O)Nc1ccc2nc(SCC(=O)Nc3cc(Cl)ccc3C)sc2c1 ZINC000001061596 568766264 /nfs/dbraw/zinc/76/62/64/568766264.db2.gz MOJGJCNNBXVJRO-UHFFFAOYSA-N 0 0 405.932 4.947 50 0 HJAARN CCN1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000022460137 568768173 /nfs/dbraw/zinc/76/81/73/568768173.db2.gz LLYIUPRXVAQFCM-XMSQKQJNSA-N 0 0 413.631 4.543 50 0 HJAARN Cc1ccc(C(C)C)c(OCC(=O)N2NC3=C(CCCCC3)[C@@]2(O)C(F)(F)F)c1 ZINC000001101566 568768855 /nfs/dbraw/zinc/76/88/55/568768855.db2.gz JFOGMNFBZIQMFT-OXJNMPFZSA-N 0 0 412.452 4.527 50 0 HJAARN COc1ccc(-n2ncc(C(=O)N3CC=C(c4ccccc4)CC3)c2-n2cccc2)cc1 ZINC000022569435 568769831 /nfs/dbraw/zinc/76/98/31/568769831.db2.gz RDEHYZZZHIEDJG-UHFFFAOYSA-N 0 0 424.504 4.601 50 0 HJAARN COc1ccc(C(=O)[C@H](OC(=O)c2cc3ccccc3oc2=O)c2ccccc2)cc1 ZINC000001099281 568769984 /nfs/dbraw/zinc/76/99/84/568769984.db2.gz HUCNDSLMRGOTPC-HSZRJFAPSA-N 0 0 414.413 4.583 50 0 biogenic HJAARN CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2OC)sc2c1CC[C@@H](C)C2 ZINC000001102459 568771423 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CCn1c2ccccc2c2cc(NC(=O)COC(=O)CCc3ccccc3)ccc21 ZINC000002635811 568792044 /nfs/dbraw/zinc/79/20/44/568792044.db2.gz UDFMOKLZOSIJDQ-UHFFFAOYSA-N 0 0 400.478 4.929 50 0 HJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000215701930 568792596 /nfs/dbraw/zinc/79/25/96/568792596.db2.gz WBWWBMFFEMVWOX-AQTBWJFISA-N 0 0 416.355 4.588 50 0 HJAARN CCOC(=O)c1c(NC(=S)NC(=O)CCC2CCCC2)sc2c1CC[C@H](C)C2 ZINC000002637919 568792836 /nfs/dbraw/zinc/79/28/36/568792836.db2.gz DGBBKIFRZHHRJJ-ZDUSSCGKSA-N 0 0 422.616 4.833 50 0 HJAARN O=C1CCCC[C@@H]1Sc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3 ZINC000002639395 568793084 /nfs/dbraw/zinc/79/30/84/568793084.db2.gz WANSGJRJCHNYJJ-IBGZPJMESA-N 0 0 424.591 4.793 50 0 HJAARN C[C@@H]1CCC[C@@H](C)N1C(=S)SCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000215716235 568793436 /nfs/dbraw/zinc/79/34/36/568793436.db2.gz DZCGZWACRAAWPY-VXGBXAGGSA-N 0 0 406.495 4.805 50 0 HJAARN CSc1nc2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2s1 ZINC000002644360 568794581 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CC(=O)Nc1cccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)c1 ZINC000002662788 568799515 /nfs/dbraw/zinc/79/95/15/568799515.db2.gz UGHVGOLIHBPTER-UHFFFAOYSA-N 0 0 418.931 4.695 50 0 HJAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1nc2ccccc2[nH]1 ZINC000028647257 568800530 /nfs/dbraw/zinc/80/05/30/568800530.db2.gz UYFYMRLEHQIDBD-UHFFFAOYSA-N 0 0 409.449 4.677 50 0 HJAARN Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)c1c(F)cccc1F)CC(=O)N2 ZINC000002724238 568803488 /nfs/dbraw/zinc/80/34/88/568803488.db2.gz KFABHVSDPLIIQB-QFIPXVFZSA-N 0 0 410.395 4.596 50 0 HJAARN Cc1nn(Cc2ccc(C(=O)N[C@@H](C)c3ccc(C)cc3)o2)c(C)c1Br ZINC000002759847 568806820 /nfs/dbraw/zinc/80/68/20/568806820.db2.gz MJGAXOHUZGMGQD-ZDUSSCGKSA-N 0 0 416.319 4.703 50 0 HJAARN CCOc1ccc(/C=C2\N=C(c3ccccc3Br)OC2=O)cc1OCC ZINC000002801311 568811146 /nfs/dbraw/zinc/81/11/46/568811146.db2.gz COSZATCGGXSTII-WJDWOHSUSA-N 0 0 416.271 4.591 50 0 HJAARN Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CC1)N2C(=O)c1cc(-c2ccccc2)on1 ZINC000002803154 568811207 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/nfs/dbraw/zinc/82/68/27/568826827.db2.gz LQPCKGCQMILGHN-UHFFFAOYSA-N 0 0 410.543 4.794 50 0 HJAARN Cc1cccc(NC(=O)c2ccccc2NC(=O)CN[C@H](C)c2ccc(F)cc2F)c1 ZINC000057338575 568827352 /nfs/dbraw/zinc/82/73/52/568827352.db2.gz CMIFWZKOCHNCTA-MRXNPFEDSA-N 0 0 423.463 4.815 50 0 HJAARN CN(Cc1ccccc1)C(=O)COc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000005886504 568828229 /nfs/dbraw/zinc/82/82/29/568828229.db2.gz MJGQFWRMDYDLAZ-UHFFFAOYSA-N 0 0 407.470 4.535 50 0 HJAARN O=C(c1ccc(OC(F)F)cc1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000005936757 568830317 /nfs/dbraw/zinc/83/03/17/568830317.db2.gz ZPHSAGVYUHEQMJ-OAHLLOKOSA-N 0 0 404.438 4.724 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)[C@H](C)Nc2ccc(OCc3ccccc3)cc2)cc1 ZINC000005934672 568830509 /nfs/dbraw/zinc/83/05/09/568830509.db2.gz OURKGAKOCCAXAT-KRWDZBQOSA-N 0 0 403.482 4.663 50 0 HJAARN CCN(C(=O)COc1ccc(Br)cc1)c1nc2c(cccc2C)s1 ZINC000005938560 568830645 /nfs/dbraw/zinc/83/06/45/568830645.db2.gz YNTOVRQQIBZTRK-UHFFFAOYSA-N 0 0 405.317 4.799 50 0 HJAARN O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)Nc1ccccc1Cl ZINC000002971359 568831949 /nfs/dbraw/zinc/83/19/49/568831949.db2.gz FUKGFJTYBVKMIH-UHFFFAOYSA-N 0 0 413.930 4.896 50 0 HJAARN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1Cl ZINC000057405932 568832782 /nfs/dbraw/zinc/83/27/82/568832782.db2.gz ACBAQSNJBWUMHR-CABCVRRESA-N 0 0 422.356 4.508 50 0 HJAARN CCOc1ccc(CCNC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc1OCC ZINC000057413569 568833278 /nfs/dbraw/zinc/83/32/78/568833278.db2.gz ORGOTENDCQTZQK-UHFFFAOYSA-N 0 0 413.905 4.500 50 0 HJAARN CCCCn1c(SCC(=O)Nc2ccc(C)cc2C)nc2ccsc2c1=O ZINC000057426383 568835279 /nfs/dbraw/zinc/83/52/79/568835279.db2.gz WJAZSQCNPISUGW-UHFFFAOYSA-N 0 0 401.557 4.606 50 0 HJAARN O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)Nc1cccc2ncccc21 ZINC000031682214 568837732 /nfs/dbraw/zinc/83/77/32/568837732.db2.gz VWTPOZSMEKWIIC-UHFFFAOYSA-N 0 0 400.409 4.622 50 0 HJAARN Cc1nc(SCc2cc(=O)n3c4c(sc3n2)CCCC4)n(C2CCCC2)c1C ZINC000012507182 568839449 /nfs/dbraw/zinc/83/94/49/568839449.db2.gz 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C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)CS3)[C@H]1C ZINC000003040602 568847862 /nfs/dbraw/zinc/84/78/62/568847862.db2.gz BGYAIVAWNHSMQB-UWVAXJGDSA-N 0 0 408.567 4.880 50 0 HJAARN Cc1ccc(Cn2c(=O)cc(C(=O)NCc3ccccc3Cl)c3ccccc32)cc1 ZINC000003042564 568848186 /nfs/dbraw/zinc/84/81/86/568848186.db2.gz GEGKPUTUQBYHOK-UHFFFAOYSA-N 0 0 416.908 4.942 50 0 HJAARN Cc1ccc(C)c(Cc2c(C)nc3c(C(=O)N4CCc5ccccc5C4)cnn3c2C)c1 ZINC000003045315 568848845 /nfs/dbraw/zinc/84/88/45/568848845.db2.gz GZYJUJDLLRZWKH-UHFFFAOYSA-N 0 0 424.548 4.752 50 0 HJAARN CC(=O)Nc1cc(C(=O)NCc2ccco2)ccc1Sc1ccc(Cl)cc1 ZINC000003048887 568849798 /nfs/dbraw/zinc/84/97/98/568849798.db2.gz JIQSOYRVEATMRB-UHFFFAOYSA-N 0 0 400.887 4.973 50 0 HJAARN CSc1ccc(CN(C)C(=O)Cn2c3ccccc3nc2-c2cscn2)cc1 ZINC000012544564 568849881 /nfs/dbraw/zinc/84/98/81/568849881.db2.gz XDXPOTLQQNXJQA-UHFFFAOYSA-N 0 0 408.552 4.540 50 0 HJAARN CCN(C(=O)COC(=O)CCc1nc2ccccc2s1)c1cccc2ccccc21 ZINC000003279146 568850758 /nfs/dbraw/zinc/85/07/58/568850758.db2.gz ZFJUCFPMAUOJTN-UHFFFAOYSA-N 0 0 418.518 4.978 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)c(C)c(C)nc1-c1cccc(Cl)c1 ZINC000057528084 568851080 /nfs/dbraw/zinc/85/10/80/568851080.db2.gz NIAVBROZLZQWMU-UHFFFAOYSA-N 0 0 416.308 4.781 50 0 HJAARN CCc1cc(=O)n(CC(=O)Nc2ccccc2C(C)C)c(-c2cccc(Cl)c2)n1 ZINC000057527838 568851092 /nfs/dbraw/zinc/85/10/92/568851092.db2.gz ZELQFIHWVCSKBY-UHFFFAOYSA-N 0 0 409.917 4.888 50 0 HJAARN COc1cccc([C@@H](NC(=O)Cc2ccc(-c3ccccc3)cc2)c2nccn2C)c1 ZINC000012547429 568851471 /nfs/dbraw/zinc/85/14/71/568851471.db2.gz BZKDFKRLYYUWMJ-RUZDIDTESA-N 0 0 411.505 4.544 50 0 HJAARN COc1ccccc1CNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000003054617 568851602 /nfs/dbraw/zinc/85/16/02/568851602.db2.gz ZKWITSWAMYBBPT-HYARGMPZSA-N 0 0 416.502 4.711 50 0 HJAARN Cc1ccc(-c2nnc(SCC(=O)NCc3ccco3)n2-c2ccc(C)cc2)cc1 ZINC000003286449 568852145 /nfs/dbraw/zinc/85/21/45/568852145.db2.gz CNOPLFANXHIAHZ-UHFFFAOYSA-N 0 0 418.522 4.553 50 0 HJAARN O=C(CN1CCCC[C@@H]1c1nc2ccccc2s1)NCCc1c[nH]c2ccccc12 ZINC000057531705 568852324 /nfs/dbraw/zinc/85/23/24/568852324.db2.gz JDUMBRAECBYFPB-OAQYLSRUSA-N 0 0 418.566 4.664 50 0 HJAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nccn1Cc1ccccc1 ZINC000012550843 568852885 /nfs/dbraw/zinc/85/28/85/568852885.db2.gz XRHUHDGMMJOUIX-MRXNPFEDSA-N 0 0 422.579 4.853 50 0 HJAARN C[C@@H]1CCc2c(sc3ncnc(N[C@H](c4nccn4C)c4ccccc4F)c23)C1 ZINC000012550385 568852899 /nfs/dbraw/zinc/85/28/99/568852899.db2.gz GDRMSFOPLQXULJ-YJYMSZOUSA-N 0 0 407.518 4.890 50 0 HJAARN CC(=O)c1cccc(NC(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)c1 ZINC000003319172 568853964 /nfs/dbraw/zinc/85/39/64/568853964.db2.gz FFLOBSNDKOBCOS-UHFFFAOYSA-N 0 0 405.834 4.692 50 0 HJAARN Cc1occc1C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000012552850 568854540 /nfs/dbraw/zinc/85/45/40/568854540.db2.gz GISAORXVTBHGIM-UHFFFAOYSA-N 0 0 404.875 4.603 50 0 HJAARN C[C@@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)C(=O)c1cnc2ccccc2n1 ZINC000012553611 568854700 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Cc1ccc2c(c1)CCCN2C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000030028917 568856886 /nfs/dbraw/zinc/85/68/86/568856886.db2.gz VSLWTASAYKMYBL-UHFFFAOYSA-N 0 0 424.497 4.528 50 0 HJAARN COc1ccccc1[C@H](C)NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 ZINC000012560040 568857329 /nfs/dbraw/zinc/85/73/29/568857329.db2.gz SPHSEEPPOKVSFR-AWEZNQCLSA-N 0 0 409.486 4.630 50 0 HJAARN C[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl ZINC000003134699 568857848 /nfs/dbraw/zinc/85/78/48/568857848.db2.gz LGZUNRPCLBOXCM-VIFPVBQESA-N 0 0 406.187 4.937 50 0 HJAARN O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1ccccc1N1CCCC1 ZINC000012563437 568859338 /nfs/dbraw/zinc/85/93/38/568859338.db2.gz LZAYMZPVJLODKS-HSZRJFAPSA-N 0 0 423.607 4.996 50 0 HJAARN O=C(N[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)s1)c1ccc(Cl)s1 ZINC000003176567 568859904 /nfs/dbraw/zinc/85/99/04/568859904.db2.gz KRNAHILPHPVUTI-UWVGGRQHSA-N 0 0 403.356 4.587 50 0 HJAARN Brc1cccc(OCc2nc3c4c5c(sc4ncn3n2)CCCC5)c1 ZINC000003176379 568859916 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Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000015390893 568884679 /nfs/dbraw/zinc/88/46/79/568884679.db2.gz RJNXGONRCOIBFL-QGZVFWFLSA-N 0 0 420.962 4.529 50 0 HJAARN COc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1NC(=O)CC(C)(C)C ZINC000003349489 568885344 /nfs/dbraw/zinc/88/53/44/568885344.db2.gz XDKUZTMXCMQIBL-UHFFFAOYSA-N 0 0 410.923 4.524 50 0 HJAARN COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1ccc2ccccc2c1 ZINC000003351212 568885823 /nfs/dbraw/zinc/88/58/23/568885823.db2.gz VAOSHJWRCUETLP-UHFFFAOYSA-N 0 0 414.461 4.723 50 0 HJAARN CCOc1ccc(NC(=O)c2ccc(NC(=O)Cc3ccc(OC)cc3)cc2)cc1 ZINC000003352027 568885837 /nfs/dbraw/zinc/88/58/37/568885837.db2.gz UBQDEJWMGFABKH-UHFFFAOYSA-N 0 0 404.466 4.527 50 0 HJAARN COc1ccccc1CNC(=O)Cn1c2ccccc2nc1-c1ccccc1Cl ZINC000012649490 568885943 /nfs/dbraw/zinc/88/59/43/568885943.db2.gz NIYYUIPYCWGTQX-UHFFFAOYSA-N 0 0 405.885 4.682 50 0 HJAARN CCOc1ccc(NC(=O)CSc2ccc3nc(-c4ccccc4)cn3n2)cc1 ZINC000004251233 568885987 /nfs/dbraw/zinc/88/59/87/568885987.db2.gz 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ZINC000058155449 568893104 /nfs/dbraw/zinc/89/31/04/568893104.db2.gz PXCBSHODIZOWDL-UHFFFAOYSA-N 0 0 418.946 4.745 50 0 HJAARN O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000058160194 568894234 /nfs/dbraw/zinc/89/42/34/568894234.db2.gz CEFOJDPDABTMED-LJQANCHMSA-N 0 0 416.456 4.686 50 0 HJAARN CCCCOc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)cc1OC ZINC000058161216 568894373 /nfs/dbraw/zinc/89/43/73/568894373.db2.gz SXOWIPGSZXFSGH-UHFFFAOYSA-N 0 0 419.481 4.774 50 0 HJAARN COc1ccc([C@H](NC(=O)CCCc2c[nH]c3ccccc23)C(F)(F)F)cc1OC ZINC000058162435 568894801 /nfs/dbraw/zinc/89/48/01/568894801.db2.gz PCCJOWWKDNIUIU-NRFANRHFSA-N 0 0 420.431 4.928 50 0 HJAARN O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)Nc1ccc2c(c1)CCC2 ZINC000003396851 568895484 /nfs/dbraw/zinc/89/54/84/568895484.db2.gz OTCGYGWVVVAFTG-UHFFFAOYSA-N 0 0 408.502 4.639 50 0 HJAARN Cc1ccc(-c2cc(NC(=O)c3cc(-c4ccco4)nc4onc(C)c43)n[nH]2)s1 ZINC000058168718 568895616 /nfs/dbraw/zinc/89/56/16/568895616.db2.gz UYHFFDNJBFHGLX-UHFFFAOYSA-N 0 0 405.439 4.804 50 0 HJAARN COc1ccc(C(C)(C)C)cc1NC(=O)CSc1nnc(-c2ccccc2F)o1 ZINC000003398267 568895654 /nfs/dbraw/zinc/89/56/54/568895654.db2.gz SPKXDBZGYSUNEI-UHFFFAOYSA-N 0 0 415.490 4.913 50 0 HJAARN CCOc1ccc(-c2nc(CC(=O)Nc3ccc4c(c3)OCCCO4)cs2)cc1 ZINC000030855149 568896589 /nfs/dbraw/zinc/89/65/89/568896589.db2.gz MQHHGFLNTAMDBG-UHFFFAOYSA-N 0 0 410.495 4.551 50 0 HJAARN O=C(CSc1n[nH]c(-c2ccc(Br)cc2)n1)c1ccc(Cl)s1 ZINC000003409046 568897653 /nfs/dbraw/zinc/89/76/53/568897653.db2.gz JGWHNQWOLDCCIG-UHFFFAOYSA-N 0 0 414.737 4.924 50 0 HJAARN COc1cc(NC(=O)COc2ccc3cc(Br)ccc3c2)cc(OC)c1 ZINC000003430424 568901703 /nfs/dbraw/zinc/90/17/03/568901703.db2.gz WRLWXULMTQSHIA-UHFFFAOYSA-N 0 0 416.271 4.637 50 0 HJAARN Cc1cccc(C)c1NC(=O)CN(C)[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000003434019 568902257 /nfs/dbraw/zinc/90/22/57/568902257.db2.gz HNTDYSPWJDYTRV-FQEVSTJZSA-N 0 0 415.537 4.868 50 0 HJAARN COc1ccc(-c2csc3ncnc(NCc4ccc(OC)c(OC)c4)c23)cc1 ZINC000003433439 568902320 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CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1cc2cc3c(cc2nc1Cl)OCCO3 ZINC000001246953 568908630 /nfs/dbraw/zinc/90/86/30/568908630.db2.gz WDTMAFQMBUBRPT-FQEVSTJZSA-N 0 0 421.884 4.665 50 0 HJAARN CCNC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 ZINC000003483247 568908664 /nfs/dbraw/zinc/90/86/64/568908664.db2.gz PVQSGFMHQQNSFB-UHFFFAOYSA-N 0 0 413.374 4.985 50 0 HJAARN COc1ccccc1-c1noc(-c2cc3n(n2)C[C@@H](c2ccc(Cl)cc2)OC3)n1 ZINC000263616794 568911054 /nfs/dbraw/zinc/91/10/54/568911054.db2.gz KOJVSYRLMLUJRB-IBGZPJMESA-N 0 0 408.845 4.534 50 0 HJAARN FC(F)(F)c1ccc(-c2noc(-c3ncn4c3CO[C@H](c3ccccc3)C4)n2)cc1 ZINC000263616119 568911164 /nfs/dbraw/zinc/91/11/64/568911164.db2.gz HEAHVWLXIKAFTD-KRWDZBQOSA-N 0 0 412.371 4.890 50 0 HJAARN C[C@H](OC(=O)c1cc(-c2ccco2)nc2ccccc21)C(=O)N(C)c1ccccc1 ZINC000003521283 568912255 /nfs/dbraw/zinc/91/22/55/568912255.db2.gz HMFZWNDLWLVVBP-INIZCTEOSA-N 0 0 400.434 4.703 50 0 HJAARN CCOc1ccc([C@H]2Cn3nc(-c4nc(-c5ccccc5C)no4)cc3CO2)cc1 ZINC000263618055 568912298 /nfs/dbraw/zinc/91/22/98/568912298.db2.gz RADBRSPKNAGXNV-OAQYLSRUSA-N 0 0 402.454 4.579 50 0 HJAARN COc1ccc(-c2oc3ccccc3c(=O)c2Oc2nc(C)cc(C)n2)cc1OC ZINC000001292699 568912875 /nfs/dbraw/zinc/91/28/75/568912875.db2.gz CULCOBFUAINQTO-UHFFFAOYSA-N 0 0 404.422 4.676 50 0 HJAARN CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cc2cc3c(cc2nc1Cl)OCCO3 ZINC000001295078 568912885 /nfs/dbraw/zinc/91/28/85/568912885.db2.gz SLGPKVBCGDIDII-LJQANCHMSA-N 0 0 421.884 4.747 50 0 HJAARN CN(CC(=O)Nc1ccccc1C(=O)Nc1ccccc1)Cc1ccc(Cl)cc1 ZINC000003540617 568913732 /nfs/dbraw/zinc/91/37/32/568913732.db2.gz NIAQFNZLGPSYNQ-UHFFFAOYSA-N 0 0 407.901 4.663 50 0 HJAARN COc1ccc(-c2c(N)n(CCc3ccccc3)c(=O)c3ccccc32)cc1OC ZINC000001315142 568913886 /nfs/dbraw/zinc/91/38/86/568913886.db2.gz JKGSPHOFEQVXRS-UHFFFAOYSA-N 0 0 400.478 4.511 50 0 HJAARN O=C(C[C@]1(O)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O)c1ccccc1 ZINC000001320508 568914145 /nfs/dbraw/zinc/91/41/45/568914145.db2.gz KNMRAHSETZJVGI-MHZLTWQESA-N 0 0 407.469 4.847 50 0 HJAARN O=C(CCC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1)c1ccc(Cl)s1 ZINC000031127203 568914785 /nfs/dbraw/zinc/91/47/85/568914785.db2.gz QMNGULLETXZLIY-CYBMUJFWSA-N 0 0 402.903 4.912 50 0 HJAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1C ZINC000003596343 568918647 /nfs/dbraw/zinc/91/86/47/568918647.db2.gz DKUODSUPPJPKQG-UHFFFAOYSA-N 0 0 418.522 4.934 50 0 HJAARN Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1 ZINC000058434665 568918749 /nfs/dbraw/zinc/91/87/49/568918749.db2.gz ZDMCHGBQXPSEAK-RDPSFJRHSA-N 0 0 421.585 4.548 50 0 HJAARN Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(OC(F)F)cc2)s1 ZINC000012729756 568921498 /nfs/dbraw/zinc/92/14/98/568921498.db2.gz UHKNOIZNQHUQGY-GOSISDBHSA-N 0 0 409.479 4.726 50 0 HJAARN CCOc1ccc(/C=C2\SC(=O)N(CNc3cc(F)ccc3C)C2=O)cc1OC ZINC000334163545 568921684 /nfs/dbraw/zinc/92/16/84/568921684.db2.gz WMMBMHQJPCBIGZ-GRSHGNNSSA-N 0 0 416.474 4.647 50 0 HJAARN O=S(=O)(Cc1cc(Oc2ccccc2)nc(-c2ccccc2)n1)c1ccccc1 ZINC000001383060 568921784 /nfs/dbraw/zinc/92/17/84/568921784.db2.gz DESWIWBVKGLPQF-UHFFFAOYSA-N 0 0 402.475 4.910 50 0 HJAARN COc1ccc(NC(=O)COc2ccc(-c3nccc(-c4cccs4)n3)cc2)cc1 ZINC000001383628 568922086 /nfs/dbraw/zinc/92/20/86/568922086.db2.gz LPZUDQAYBMFVKX-UHFFFAOYSA-N 0 0 417.490 4.898 50 0 HJAARN CCOC(=O)C[C@@H](C(=O)Nc1nc2ccc(OC)cc2s1)[C@@H](C)c1ccccc1 ZINC000003646763 568922260 /nfs/dbraw/zinc/92/22/60/568922260.db2.gz FUGBXGXESOXNLJ-WMLDXEAASA-N 0 0 412.511 4.617 50 0 HJAARN COc1ccc2c(c1)CCc1sc(NC(=O)c3ccccc3Br)nc1-2 ZINC000003651715 568922782 /nfs/dbraw/zinc/92/27/82/568922782.db2.gz AJNVQWGECFEUDX-UHFFFAOYSA-N 0 0 415.312 4.932 50 0 HJAARN CCOC(=O)c1ccc(NC(=S)N(Cc2ccccc2)Cc2ccccn2)cc1 ZINC000003662280 568923844 /nfs/dbraw/zinc/92/38/44/568923844.db2.gz NITBNMDYHRYNKG-UHFFFAOYSA-N 0 0 405.523 4.658 50 0 HJAARN CCOC(=O)c1ccc(NC(=S)N(Cc2ccc(C)cc2)Cc2ccccn2)cc1 ZINC000003662281 568923894 /nfs/dbraw/zinc/92/38/94/568923894.db2.gz DWAUFQDGOOAXJE-UHFFFAOYSA-N 0 0 419.550 4.966 50 0 HJAARN O=C(Nc1ccc(F)cc1F)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc21 ZINC000001393397 568925055 /nfs/dbraw/zinc/92/50/55/568925055.db2.gz LTZBZLFWNHJELN-UHFFFAOYSA-N 0 0 411.795 4.570 50 0 HJAARN Cc1ccc(OCC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c2c1[C@H](C)CC2=O ZINC000012736724 568925507 /nfs/dbraw/zinc/92/55/07/568925507.db2.gz ZXTZLVCXGVJQEP-ZIAGYGMSSA-N 0 0 405.416 4.960 50 0 HJAARN Cc1cc(C)n(Cc2ccc(Cl)cc2Cl)c(=O)c1S(=O)(=O)c1ccccc1 ZINC000001397437 568925669 /nfs/dbraw/zinc/92/56/69/568925669.db2.gz HDZUSZZQDJTLGH-UHFFFAOYSA-N 0 0 422.333 4.653 50 0 HJAARN COc1ccc(Cc2nc(=O)c3c4c(sc3[nH]2)CCCCC4)c(Cl)c1OC ZINC000083937304 568926644 /nfs/dbraw/zinc/92/66/44/568926644.db2.gz FYLMHBPJEZKPBP-UHFFFAOYSA-N 0 0 404.919 4.515 50 0 HJAARN COC(=O)c1ccccc1Sc1nc(-c2cccc(C(F)(F)F)c2)nnc1C ZINC000001400926 568927044 /nfs/dbraw/zinc/92/70/44/568927044.db2.gz DSQPXRQINJWPTA-UHFFFAOYSA-N 0 0 405.401 4.804 50 0 HJAARN C[C@]1(c2ccc3noc(-c4ccc(F)cc4)c3c2)NC(=O)N(c2ccccc2F)N1 ZINC000001401679 568927384 /nfs/dbraw/zinc/92/73/84/568927384.db2.gz NTCAYMOFZYSJNO-QFIPXVFZSA-N 0 0 406.392 4.680 50 0 HJAARN COc1ccc(-c2csc(-n3nc(-c4ccc(Cl)cc4)cc3NC=O)n2)cc1 ZINC000001405130 568927713 /nfs/dbraw/zinc/92/77/13/568927713.db2.gz WFORZBANEPNVHT-UHFFFAOYSA-N 0 0 410.886 4.893 50 0 HJAARN COc1ccc(CC[C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1OC ZINC000083960107 568928328 /nfs/dbraw/zinc/92/83/28/568928328.db2.gz XXBZVSFHPVZTQJ-BHDDXSALSA-N 0 0 411.517 4.960 50 0 HJAARN COc1ccc(-c2nnc([C@H](C)Sc3nnc(COc4ccc(C)cc4)o3)o2)cc1 ZINC000031621233 568928692 /nfs/dbraw/zinc/92/86/92/568928692.db2.gz RZYMBKLLESACHF-AWEZNQCLSA-N 0 0 424.482 4.869 50 0 HJAARN O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000012742933 568930103 /nfs/dbraw/zinc/93/01/03/568930103.db2.gz IVEKFTXKOVIUJF-PZJWPPBQSA-N 0 0 424.497 4.524 50 0 HJAARN Cc1nc(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)sc1SCC(N)=O ZINC000031799763 568931507 /nfs/dbraw/zinc/93/15/07/568931507.db2.gz KZSQCFAQNPXUPD-UHFFFAOYSA-N 0 0 423.972 4.663 50 0 HJAARN COc1cc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)ccc1OCC(C)C ZINC000003999978 568932020 /nfs/dbraw/zinc/93/20/20/568932020.db2.gz PTYSUWXYPSLCGS-FXXWNWNUSA-N 0 0 420.553 4.757 50 0 biogenic HJAARN O=C(c1ccc(OC(F)(F)F)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000012746295 568932562 /nfs/dbraw/zinc/93/25/62/568932562.db2.gz MFWPQFWXIXVXQK-KRWDZBQOSA-N 0 0 407.388 4.724 50 0 HJAARN Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1cccc2[nH]ccc21 ZINC000084016916 568933084 /nfs/dbraw/zinc/93/30/84/568933084.db2.gz VWKRLPFDZQKAOF-UHFFFAOYSA-N 0 0 413.403 4.565 50 0 HJAARN CSc1nc(-c2ccco2)nc(C)c1C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000084019692 568933279 /nfs/dbraw/zinc/93/32/79/568933279.db2.gz CPWCTVBFCIWRJU-CQSZACIVSA-N 0 0 415.515 4.873 50 0 HJAARN CCCCCCOC[C@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21 ZINC000004027986 568934036 /nfs/dbraw/zinc/93/40/36/568934036.db2.gz OXLUIJSXMUVGQM-CDJZJNNCSA-N 0 0 424.578 4.828 50 0 biogenic HJAARN COc1ccc(CNC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)cc1 ZINC000012748183 568934301 /nfs/dbraw/zinc/93/43/01/568934301.db2.gz PQMPMKJZGLEYHH-UHFFFAOYSA-N 0 0 402.903 4.623 50 0 HJAARN COc1ccc(C2=Nn3c(COc4ccc(Cl)cc4Cl)nnc3SC2)cc1 ZINC000001417179 568934903 /nfs/dbraw/zinc/93/49/03/568934903.db2.gz NOBCDPJZXGZAJK-UHFFFAOYSA-N 0 0 421.309 4.531 50 0 HJAARN CC(C)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000004033474 568934985 /nfs/dbraw/zinc/93/49/85/568934985.db2.gz XKJRBELXYAUGBQ-HNNXBMFYSA-N 0 0 412.331 4.975 50 0 HJAARN CCc1cccc(C)c1-n1c(CNC(=O)C23CC4CC(CC(C4)C2)C3)nnc1SC ZINC000004059408 568936831 /nfs/dbraw/zinc/93/68/31/568936831.db2.gz FQBSNASNPGBBCD-UHFFFAOYSA-N 0 0 424.614 4.693 50 0 HJAARN COc1ccc(OC)c([C@@H]2c3cccn3CCN2C(=S)Nc2ccc(C)cc2)c1 ZINC000004059445 568936957 /nfs/dbraw/zinc/93/69/57/568936957.db2.gz KLBTVPBXVOKPPA-JOCHJYFZSA-N 0 0 407.539 4.616 50 0 HJAARN CC(C)[C@@H](NC(=O)N[C@H](C)c1ccc(F)c(F)c1)c1ccc2c(c1)OCCCO2 ZINC000012749600 568937514 /nfs/dbraw/zinc/93/75/14/568937514.db2.gz CCZIMTVVAKDYSA-SPLOXXLWSA-N 0 0 404.457 4.884 50 0 HJAARN COc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccccc3)C2)cc1 ZINC000004070915 568937717 /nfs/dbraw/zinc/93/77/17/568937717.db2.gz UJNILVYYMGPEKJ-QHCPKHFHSA-N 0 0 406.507 4.544 50 0 HJAARN O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000025916966 568937859 /nfs/dbraw/zinc/93/78/59/568937859.db2.gz SOEJIOFIWFVOHJ-UHFFFAOYSA-N 0 0 416.427 4.876 50 0 HJAARN Cc1nnc(SC2=C3CCCC[C@@]3(c3ccccc3Cl)N(C)C2=O)n1C1CC1 ZINC000012750226 568937920 /nfs/dbraw/zinc/93/79/20/568937920.db2.gz HCDJLWSATAYWTC-NRFANRHFSA-N 0 0 414.962 4.863 50 0 HJAARN CC(C)(C)n1nc2c(c1NC(=O)COc1ccc(Cl)cc1Cl)CSC2 ZINC000004077294 568938224 /nfs/dbraw/zinc/93/82/24/568938224.db2.gz MTTZDIMXYSODPG-UHFFFAOYSA-N 0 0 400.331 4.709 50 0 HJAARN COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCCCCC3)o2)cc1 ZINC000001422145 568938451 /nfs/dbraw/zinc/93/84/51/568938451.db2.gz AGEAKWAQLQLLKS-UHFFFAOYSA-N 0 0 412.511 4.563 50 0 HJAARN CCOC(=O)c1c(N)oc2c1cc1oc(N)c(C(=O)OCC)c1c2-c1ccc(C)cc1 ZINC000001424249 568938793 /nfs/dbraw/zinc/93/87/93/568938793.db2.gz HSSMXGMLIVVIHS-UHFFFAOYSA-N 0 0 422.437 4.672 50 0 HJAARN Cc1cccc(C(=O)Nc2c(C(=O)NCc3ccco3)sc3nc(C)cc(C)c32)c1 ZINC000001428493 568939541 /nfs/dbraw/zinc/93/95/41/568939541.db2.gz FFXWPACDCNCRBG-UHFFFAOYSA-N 0 0 419.506 4.997 50 0 HJAARN O=C(OCc1ccccc1Cl)c1ccc(-c2nnn(Cc3ccc(F)cc3)n2)cc1 ZINC000001432039 568940675 /nfs/dbraw/zinc/94/06/75/568940675.db2.gz KWIDHPPMUXELGW-UHFFFAOYSA-N 0 0 422.847 4.538 50 0 HJAARN COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000004090956 568942390 /nfs/dbraw/zinc/94/23/90/568942390.db2.gz WLODLJGTYACJHB-MDWZMJQESA-N 0 0 400.503 4.793 50 0 HJAARN O=C(CC[C@H]1Cc2ccccc2NC1=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000012754758 568942546 /nfs/dbraw/zinc/94/25/46/568942546.db2.gz MSZVOLCPJJCRMY-ROUUACIJSA-N 0 0 419.550 4.594 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cc1Cl ZINC000012760095 568943986 /nfs/dbraw/zinc/94/39/86/568943986.db2.gz VSVAXQKDWWXXJZ-UHFFFAOYSA-N 0 0 411.893 4.754 50 0 HJAARN CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)cc3C)cc2Cl)CC1 ZINC000004123108 568945257 /nfs/dbraw/zinc/94/52/57/568945257.db2.gz LGXNUWDSEOJYJO-UHFFFAOYSA-N 0 0 413.949 4.658 50 0 HJAARN COc1ccc(-c2nnc(SCC(=O)OC(C)(C)C)n2-c2ccccc2C)cc1 ZINC000004212831 568946032 /nfs/dbraw/zinc/94/60/32/568946032.db2.gz ONULMOZAGHRGFW-UHFFFAOYSA-N 0 0 411.527 4.685 50 0 HJAARN O=C(/C=C\c1cc(Br)ccc1F)N1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000229430997 568946790 /nfs/dbraw/zinc/94/67/90/568946790.db2.gz YLHRQPVBJUVBDA-OPZJBCNKSA-N 0 0 424.335 4.778 50 0 HJAARN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000012764200 568947285 /nfs/dbraw/zinc/94/72/85/568947285.db2.gz WSUQTAURTWJCAP-FQEVSTJZSA-N 0 0 410.517 4.840 50 0 HJAARN COc1cccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2)c1OC ZINC000004162438 568947407 /nfs/dbraw/zinc/94/74/07/568947407.db2.gz IUIUQQRCFHAUTC-UHFFFAOYSA-N 0 0 416.433 4.955 50 0 HJAARN Cn1c(SCC(=O)Nc2ccc(C3CCCCC3)cc2)nc2ccccc2c1=O ZINC000004167838 568948136 /nfs/dbraw/zinc/94/81/36/568948136.db2.gz CXXARFYLXXKYKE-UHFFFAOYSA-N 0 0 407.539 4.712 50 0 HJAARN O=C(NCCc1cc(F)cc2c1OCOC2)c1csc(-c2ccc(Cl)s2)n1 ZINC000084445414 568949280 /nfs/dbraw/zinc/94/92/80/568949280.db2.gz NXWKHHYFIDPGJD-UHFFFAOYSA-N 0 0 424.906 4.503 50 0 HJAARN CCOC(CCNC(=O)c1cnc(Nc2ccccc2OC)c2ccccc12)OCC ZINC000004192631 568950351 /nfs/dbraw/zinc/95/03/51/568950351.db2.gz CNOQSALUMJWGDW-UHFFFAOYSA-N 0 0 423.513 4.506 50 0 HJAARN Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(C(C)(C)C)cc2)C[S@](=O)C3)c1C ZINC000004224878 568952692 /nfs/dbraw/zinc/95/26/92/568952692.db2.gz FDTLECHBEKHMNQ-SSEXGKCCSA-N 0 0 421.566 4.801 50 0 HJAARN COc1ccccc1-n1ccnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000004248665 568953800 /nfs/dbraw/zinc/95/38/00/568953800.db2.gz CQXOHHRJYTWKSR-UHFFFAOYSA-N 0 0 407.417 4.631 50 0 HJAARN CCc1cccc(CC)c1-n1ccnc1SCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000004248650 568953824 /nfs/dbraw/zinc/95/38/24/568953824.db2.gz HCAWPJQQTWHFFY-UHFFFAOYSA-N 0 0 407.539 4.931 50 0 HJAARN CCOc1ccccc1NC(=O)CSc1nccn1Cc1ccc(Cl)cc1 ZINC000004248805 568954002 /nfs/dbraw/zinc/95/40/02/568954002.db2.gz JQASFHWWWVSMGS-UHFFFAOYSA-N 0 0 401.919 4.714 50 0 HJAARN Cc1ccc(C(=O)N[C@@H](C(=O)NCc2ccccc2)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004257745 568955502 /nfs/dbraw/zinc/95/55/02/568955502.db2.gz SWHWKPISEKHNBS-LWSGHJBASA-N 0 0 416.565 4.626 50 0 HJAARN CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc2ccccc21 ZINC000004262981 568955659 /nfs/dbraw/zinc/95/56/59/568955659.db2.gz AGDHPFHBHOCBOS-QFIPXVFZSA-N 0 0 401.466 4.505 50 0 HJAARN CC1(C)Cc2cccc(OCC(=O)N3CCS[C@H](c4ccccc4F)CC3)c2O1 ZINC000219073693 568955829 /nfs/dbraw/zinc/95/58/29/568955829.db2.gz DUTNIJSHUAVBQF-FQEVSTJZSA-N 0 0 415.530 4.625 50 0 HJAARN CC(C)C[C@@H](NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccc1 ZINC000012777885 568955868 /nfs/dbraw/zinc/95/58/68/568955868.db2.gz JTLYRMDRJNJRJV-GOSISDBHSA-N 0 0 423.582 4.700 50 0 HJAARN O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000012778020 568956012 /nfs/dbraw/zinc/95/60/12/568956012.db2.gz HIUOOAOIWKTNPB-FQEVSTJZSA-N 0 0 400.478 4.509 50 0 HJAARN CC(C)c1ccccc1NC(=O)[C@H](C)Sc1nnnn1-c1ccc(Cl)cc1 ZINC000012778601 568956137 /nfs/dbraw/zinc/95/61/37/568956137.db2.gz KGMDQUIIORSRMW-ZDUSSCGKSA-N 0 0 401.923 4.558 50 0 HJAARN C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000004278476 568958386 /nfs/dbraw/zinc/95/83/86/568958386.db2.gz NBXNJIKLRLIDJO-GFCCVEGCSA-N 0 0 407.474 4.509 50 0 HJAARN CN(C)[C@@H](CNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21)c1ccco1 ZINC000012784418 568959318 /nfs/dbraw/zinc/95/93/18/568959318.db2.gz WLPNHMPFUSCNPG-QFIPXVFZSA-N 0 0 403.457 4.667 50 0 HJAARN COc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1ccc(OC)c(OC)c1)O2 ZINC000004291748 568959719 /nfs/dbraw/zinc/95/97/19/568959719.db2.gz AMXVGDZWMXQINT-OFVILXPXSA-N 0 0 416.477 4.955 50 0 HJAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3)o2)c1 ZINC000004309965 568960537 /nfs/dbraw/zinc/96/05/37/568960537.db2.gz SLHHHUZBJZTLKE-UHFFFAOYSA-N 0 0 404.289 4.538 50 0 HJAARN CCCn1c(Cn2ccnc2C)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000015669139 568960728 /nfs/dbraw/zinc/96/07/28/568960728.db2.gz VUQZYTNPYDGFHC-UHFFFAOYSA-N 0 0 407.905 4.905 50 0 HJAARN COC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccc(Br)o1 ZINC000015669053 568960817 /nfs/dbraw/zinc/96/08/17/568960817.db2.gz GDZPSIYJDPICCJ-UHFFFAOYSA-N 0 0 412.286 4.871 50 0 HJAARN Cc1cccc(COc2ccccc2C(=O)NCc2ccc(NC(=O)C3CC3)cc2)c1 ZINC000012788314 568960851 /nfs/dbraw/zinc/96/08/51/568960851.db2.gz UEHXCLYAVHAUNP-UHFFFAOYSA-N 0 0 414.505 4.853 50 0 HJAARN CCOC(=O)N1CCc2c(sc(NC(=O)CC)c2-c2nc3ccccc3s2)C1 ZINC000004281050 568966257 /nfs/dbraw/zinc/96/62/57/568966257.db2.gz DHEDPTGGEJSTDU-UHFFFAOYSA-N 0 0 415.540 4.888 50 0 HJAARN O=C(CSc1ccc2c(c1)CCC2)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000007989543 568966456 /nfs/dbraw/zinc/96/64/56/568966456.db2.gz KRLNIKKHKUVMSV-UHFFFAOYSA-N 0 0 418.566 4.891 50 0 HJAARN Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NCc1ccccc1Cl ZINC000015681447 568967941 /nfs/dbraw/zinc/96/79/41/568967941.db2.gz 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O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc(Br)c1 ZINC000008266822 568986112 /nfs/dbraw/zinc/98/61/12/568986112.db2.gz FYCSVZKAIMTRLU-UHFFFAOYSA-N 0 0 419.363 4.500 50 0 HJAARN CCCCCn1cnnc1SCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000008269766 568986250 /nfs/dbraw/zinc/98/62/50/568986250.db2.gz HCWBGLSDHFTDHX-UHFFFAOYSA-N 0 0 416.547 4.631 50 0 HJAARN O=C(Cc1ccc2c(c1)CCCC2)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000008270262 568986277 /nfs/dbraw/zinc/98/62/77/568986277.db2.gz OEXZJEYJXLSFBK-UHFFFAOYSA-N 0 0 400.526 4.732 50 0 HJAARN O=C(c1nccnc1-c1nc2ccccc2s1)N1CCC(Cc2ccccc2)CC1 ZINC000008274968 568986850 /nfs/dbraw/zinc/98/68/50/568986850.db2.gz LUVYSCFIAONLOL-UHFFFAOYSA-N 0 0 414.534 4.848 50 0 HJAARN Cc1occc1-c1nnc(SCCCSc2nnc(-c3ccoc3C)o2)o1 ZINC000008276984 568986972 /nfs/dbraw/zinc/98/69/72/568986972.db2.gz HFLDKIKZAOHPOL-UHFFFAOYSA-N 0 0 404.473 4.864 50 0 HJAARN CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1nccn1CC ZINC000011936380 568987341 /nfs/dbraw/zinc/98/73/41/568987341.db2.gz 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COc1ccc(NC(C)=O)cc1N[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000008393371 568998658 /nfs/dbraw/zinc/99/86/58/568998658.db2.gz TVKJWAFLMMKJCC-INIZCTEOSA-N 0 0 419.481 4.885 50 0 HJAARN COc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000008393373 568998722 /nfs/dbraw/zinc/99/87/22/568998722.db2.gz TVKJWAFLMMKJCC-MRXNPFEDSA-N 0 0 419.481 4.885 50 0 HJAARN CCN(CC)c1ccc(-c2nnc(SCC(=O)c3ccc(F)c(F)c3)o2)cc1 ZINC000008394719 568999062 /nfs/dbraw/zinc/99/90/62/568999062.db2.gz QHDKANYOOUYYCT-UHFFFAOYSA-N 0 0 403.454 4.836 50 0 HJAARN CCc1cc([C@@H](c2ccsc2)N2CCN(C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546484 569000166 /nfs/dbraw/zinc/00/01/66/569000166.db2.gz DEAUITIDXKOLIH-LJQANCHMSA-N 0 0 415.584 4.554 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1 ZINC000008427845 569002195 /nfs/dbraw/zinc/00/21/95/569002195.db2.gz VTROPKMVSQLGTN-UHFFFAOYSA-N 0 0 418.975 4.958 50 0 HJAARN C[C@@H](Sc1nnc(C2CC2)n1C)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000006106334 569002957 /nfs/dbraw/zinc/00/29/57/569002957.db2.gz GMAPUDMFBBXXIL-SECBINFHSA-N 0 0 415.569 4.572 50 0 HJAARN CC(=O)NCCc1ccc(C(=O)CSc2nc(-c3ccccc3)cs2)s1 ZINC000026040277 569003354 /nfs/dbraw/zinc/00/33/54/569003354.db2.gz BYDDANSQASBBRA-UHFFFAOYSA-N 0 0 402.566 4.525 50 0 HJAARN CCC(=O)Nc1ccc(CCc2nc3cc(C(=O)N4CCC(C)CC4)ccc3[nH]2)cc1 ZINC000085653684 569006025 /nfs/dbraw/zinc/00/60/25/569006025.db2.gz UBVAAQURCLGQCI-UHFFFAOYSA-N 0 0 418.541 4.569 50 0 HJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccccc2)C(=O)c2ccccc2C)c1C ZINC000085711463 569007238 /nfs/dbraw/zinc/00/72/38/569007238.db2.gz FLHWWWKABKZAHH-UHFFFAOYSA-N 0 0 404.510 4.959 50 0 HJAARN O=C(Nc1ncc(Cc2cc(F)cc(F)c2)s1)c1csc(-c2ccco2)n1 ZINC000012823530 569007324 /nfs/dbraw/zinc/00/73/24/569007324.db2.gz KJFNXOLBRURQHW-UHFFFAOYSA-N 0 0 403.435 4.981 50 0 HJAARN Cc1ccc(C(=O)Nc2nc(-c3ccc(I)cc3)cs2)cc1 ZINC000001512582 569009411 /nfs/dbraw/zinc/00/94/11/569009411.db2.gz KJZXYAFINWIUEK-UHFFFAOYSA-N 0 0 420.275 4.975 50 0 HJAARN CN(Cc1nnc(SCc2ccccc2Cl)n1C)Cc1ccc2ncccc2c1 ZINC000055243799 569009166 /nfs/dbraw/zinc/00/91/66/569009166.db2.gz JXGCXVQBBWYCIA-UHFFFAOYSA-N 0 0 423.973 4.941 50 0 HJAARN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2ccc(C)o2)cc1 ZINC000085876614 569009578 /nfs/dbraw/zinc/00/95/78/569009578.db2.gz MZWXYPTZWUBPFG-HNNXBMFYSA-N 0 0 418.401 4.517 50 0 biogenic HJAARN O=C1OC(c2ccc(Br)cc2)=NC1=CNc1cccc(C(F)(F)F)c1 ZINC000001513757 569009911 /nfs/dbraw/zinc/00/99/11/569009911.db2.gz OAOCCDMOBYWDMB-ZROIWOOFSA-N 0 0 411.177 4.725 50 0 HJAARN COc1ccc(N2C(=O)[C@@H]3CCCN3[C@H]2c2ccc(Br)cc2)cc1Cl ZINC000085988218 569010020 /nfs/dbraw/zinc/01/00/20/569010020.db2.gz NEPPYBNNUWAAQU-FUHWJXTLSA-N 0 0 421.722 4.621 50 0 HJAARN COc1ccc(Br)cc1[C@@H]1N2CCC[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000085988294 569010063 /nfs/dbraw/zinc/01/00/63/569010063.db2.gz IRJSKODRHPBDEV-FUHWJXTLSA-N 0 0 421.722 4.621 50 0 HJAARN CC[C@H](Sc1nnc([C@@H](C)Oc2ccc(F)cc2)o1)C(=O)Nc1ccc(F)cc1 ZINC000012851165 569010452 /nfs/dbraw/zinc/01/04/52/569010452.db2.gz AQUUYFMLDXDEDK-PXAZEXFGSA-N 0 0 419.453 4.997 50 0 HJAARN O=C(COc1ccc(Cl)cc1C(=O)Nc1ccccc1)N1CCc2ccccc21 ZINC000006126939 569010478 /nfs/dbraw/zinc/01/04/78/569010478.db2.gz RKFWQVFEVPCIJT-UHFFFAOYSA-N 0 0 406.869 4.560 50 0 HJAARN COc1cnc(CSc2ccccc2)cc1OCC(=O)Nc1ccc(F)cc1F ZINC000015824523 569011302 /nfs/dbraw/zinc/01/13/02/569011302.db2.gz YXEDPZDBLRQUQU-UHFFFAOYSA-N 0 0 416.449 4.678 50 0 HJAARN COc1ccccc1Cn1ccnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000015825629 569011416 /nfs/dbraw/zinc/01/14/16/569011416.db2.gz ZMUSUCKQUREGKG-UHFFFAOYSA-N 0 0 421.444 4.690 50 0 HJAARN COCCNC(=O)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1 ZINC000015826503 569011529 /nfs/dbraw/zinc/01/15/29/569011529.db2.gz GKMRFPVSRDBSLR-UHFFFAOYSA-N 0 0 419.431 4.618 50 0 HJAARN Cc1ccc(OCc2nc(CC(=O)Nc3ccc(Br)cc3)cs2)cc1 ZINC000012863650 569011971 /nfs/dbraw/zinc/01/19/71/569011971.db2.gz JHHPAKHNRLZAKL-UHFFFAOYSA-N 0 0 417.328 4.974 50 0 HJAARN CCCCC(=O)Nc1cc2sc([N-]S(=O)(=O)c3ccc(C)cc3)nc2c(C)c1 ZINC000015862054 569015585 /nfs/dbraw/zinc/01/55/85/569015585.db2.gz NRFCXPFFNVBVFS-UHFFFAOYSA-N 0 0 417.556 4.843 50 0 HJAARN COc1cccc(Cn2c3ccccc3nc2-c2cc(OC)c(OC)c(OC)c2)c1 ZINC000015861491 569015600 /nfs/dbraw/zinc/01/56/00/569015600.db2.gz YOGXUCFXCWNAMV-UHFFFAOYSA-N 0 0 404.466 4.786 50 0 HJAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccccc2)C(=O)c2ccccc2OC)c1C ZINC000015862469 569015868 /nfs/dbraw/zinc/01/58/68/569015868.db2.gz VLZYAXZXLUNVOM-UHFFFAOYSA-N 0 0 420.509 4.659 50 0 HJAARN CC(=O)Nc1ccc(Cc2nc3cc(C(=O)NC4CCCCCC4)ccc3[nH]2)cc1 ZINC000015863807 569016234 /nfs/dbraw/zinc/01/62/34/569016234.db2.gz XPEKZPJGFYBCBA-UHFFFAOYSA-N 0 0 404.514 4.565 50 0 HJAARN Cc1nn(-c2nc3ccccc3[nH]2)c2c1[C@@H](c1c(Cl)cccc1Cl)CC(=O)N2 ZINC000015868248 569017016 /nfs/dbraw/zinc/01/70/16/569017016.db2.gz SHTFRLJAQIZDLA-NSHDSACASA-N 0 0 412.280 4.838 50 0 HJAARN CCn1c(CCc2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)nc2ccccc21 ZINC000015870456 569017218 /nfs/dbraw/zinc/01/72/18/569017218.db2.gz QPEJTUYHNRFFJQ-UHFFFAOYSA-N 0 0 419.550 4.951 50 0 HJAARN COc1ccc(-c2nc(CSc3n[nH]c(-c4ccccc4)n3)cs2)cc1OC ZINC000006178259 569017561 /nfs/dbraw/zinc/01/75/61/569017561.db2.gz JMODDLURKBJCSA-UHFFFAOYSA-N 0 0 410.524 4.905 50 0 HJAARN O=C(Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)Nc1cccc(F)c1 ZINC000015880699 569017969 /nfs/dbraw/zinc/01/79/69/569017969.db2.gz LQPTYWWSJINNON-UHFFFAOYSA-N 0 0 404.854 4.761 50 0 HJAARN CC(=O)c1ccc(NC(=O)Cn2c(-c3nnc(CC(C)C)o3)cc3ccccc32)cc1 ZINC000015881579 569018632 /nfs/dbraw/zinc/01/86/32/569018632.db2.gz UWOIYIGYABPSEN-UHFFFAOYSA-N 0 0 416.481 4.731 50 0 HJAARN CCSc1cccc(C(=O)N2CCN(c3nc4c(cc(F)cc4F)s3)CC2)c1 ZINC000015882503 569019117 /nfs/dbraw/zinc/01/91/17/569019117.db2.gz JBHDNCXMGSLJIJ-UHFFFAOYSA-N 0 0 419.522 4.649 50 0 HJAARN Cc1cccc(NC(=O)c2cccn(Cc3ccc(C(F)(F)F)cc3)c2=O)c1C ZINC000015882850 569019225 /nfs/dbraw/zinc/01/92/25/569019225.db2.gz XXEMNNNDUJTCRQ-UHFFFAOYSA-N 0 0 400.400 4.785 50 0 HJAARN Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(C(F)(F)F)cc3)c2)cc1C ZINC000015883278 569019251 /nfs/dbraw/zinc/01/92/51/569019251.db2.gz IRAYIVROOSQHCC-UHFFFAOYSA-N 0 0 400.400 4.785 50 0 HJAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N(C)Cc1cccs1 ZINC000012896278 569020327 /nfs/dbraw/zinc/02/03/27/569020327.db2.gz DJCQJPZWJKCAOP-UHFFFAOYSA-N 0 0 403.507 4.882 50 0 HJAARN COc1ccc(NC(=O)c2c3c(sc2-n2cccc2)CSCC3)c(OC)c1 ZINC000012902682 569020654 /nfs/dbraw/zinc/02/06/54/569020654.db2.gz IHKBLSMNRBZSOZ-UHFFFAOYSA-N 0 0 400.525 4.598 50 0 HJAARN CNC(=O)c1ccc(CN(C)C(=O)c2ccccc2OCc2ccccc2Cl)cc1 ZINC000012902257 569020887 /nfs/dbraw/zinc/02/08/87/569020887.db2.gz UPQDUVCUWATPOV-UHFFFAOYSA-N 0 0 422.912 4.551 50 0 HJAARN C[C@@H](NC(=O)c1ccc(OCc2cscn2)cc1)c1ccccc1Br ZINC000012904636 569021056 /nfs/dbraw/zinc/02/10/56/569021056.db2.gz SQQVTQFKHCJGCW-CYBMUJFWSA-N 0 0 417.328 4.976 50 0 HJAARN Cc1cc(C)cc(NC(=O)[C@@H](NCC(=O)Nc2c(C)cccc2C)c2ccccc2)c1 ZINC000012905899 569021223 /nfs/dbraw/zinc/02/12/23/569021223.db2.gz GHNRRNNQMKTEGI-VWLOTQADSA-N 0 0 415.537 4.828 50 0 HJAARN Cc1noc([C@@H](C)Sc2nc3scc(-c4ccc(C)c(C)c4)c3c(=O)n2C)n1 ZINC000012914074 569022054 /nfs/dbraw/zinc/02/20/54/569022054.db2.gz QNNYARHKOSAJCA-GFCCVEGCSA-N 0 0 412.540 4.824 50 0 HJAARN Cc1ccc([C@H](NC(=O)CCc2nnc(-c3ccsc3)o2)c2ccccc2)cc1 ZINC000012913691 569022086 /nfs/dbraw/zinc/02/20/86/569022086.db2.gz CJCMAXWYBUWYAL-JOCHJYFZSA-N 0 0 403.507 4.945 50 0 HJAARN CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000012914938 569022182 /nfs/dbraw/zinc/02/21/82/569022182.db2.gz FTUJSOQFSHVHCT-KBXCAEBGSA-N 0 0 406.429 4.568 50 0 HJAARN CC(=O)N(c1nc(COc2ccc3ccc(=O)oc3c2)cs1)c1ccccc1F ZINC000012915686 569022519 /nfs/dbraw/zinc/02/25/19/569022519.db2.gz ICJARYJPRVCLAL-UHFFFAOYSA-N 0 0 410.426 4.652 50 0 HJAARN COC(=O)c1cccc2c1CCCN2C(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000012920396 569022972 /nfs/dbraw/zinc/02/29/72/569022972.db2.gz AYRLKZCBTWNCQB-UHFFFAOYSA-N 0 0 424.349 4.993 50 0 HJAARN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3cnc(C(C)(C)C)nc3)c12 ZINC000063817814 569024790 /nfs/dbraw/zinc/02/47/90/569024790.db2.gz WFCNNLIJBSMQGM-UHFFFAOYSA-N 0 0 406.534 4.712 50 0 HJAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Oc1ccc(F)c2c1C(=O)C[C@@H]2C ZINC000012931390 569024815 /nfs/dbraw/zinc/02/48/15/569024815.db2.gz GHRYCIHXCBOCAG-RYUDHWBXSA-N 0 0 405.853 4.892 50 0 HJAARN Cc1cc(NC(=O)CSc2nc3ccccc3o2)n(-c2nc3ccccc3s2)n1 ZINC000035298120 569028079 /nfs/dbraw/zinc/02/80/79/569028079.db2.gz PQWAANFWGIUJIS-UHFFFAOYSA-N 0 0 421.507 4.662 50 0 HJAARN O=C(CCC(=O)c1cccs1)NCCC(=O)OCc1ccc(-c2ccccc2)cc1 ZINC000016046793 569028317 /nfs/dbraw/zinc/02/83/17/569028317.db2.gz PCYGCESSWAOFLR-UHFFFAOYSA-N 0 0 421.518 4.628 50 0 HJAARN COc1ccc(OC)c(NC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)c1 ZINC000006187238 569029485 /nfs/dbraw/zinc/02/94/85/569029485.db2.gz JFWLXFWQXZGHHK-UHFFFAOYSA-N 0 0 421.280 4.885 50 0 HJAARN CCS(=O)(=O)c1ccc2oc(Nc3ccc(Br)cc3Cl)nc2c1 ZINC000012951208 569029583 /nfs/dbraw/zinc/02/95/83/569029583.db2.gz WUCXTYRKMABPFO-UHFFFAOYSA-N 0 0 415.696 4.781 50 0 HJAARN Cc1ccnc(SCC(=O)c2cc3cc4c(cc3oc2=O)N(C)C(C)(C)C[C@@H]4C)n1 ZINC000575473166 569029968 /nfs/dbraw/zinc/02/99/68/569029968.db2.gz KHIOMYOTBCEAQN-ZDUSSCGKSA-N 0 0 423.538 4.588 50 0 HJAARN C[C@H](CCC(=O)NCCO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000017185616 569030489 /nfs/dbraw/zinc/03/04/89/569030489.db2.gz HENFUZBSUMHZKR-XFXAHWLSSA-N 0 0 419.650 4.531 50 0 HJAARN Cc1nc(Cc2nc3ccc(-c4cccc(C(F)(F)F)c4)cc3c(=O)[nH]2)cs1 ZINC000063837566 569030529 /nfs/dbraw/zinc/03/05/29/569030529.db2.gz KGCQCCMGOWOOQD-UHFFFAOYSA-N 0 0 401.413 4.965 50 0 HJAARN CCc1ccc(-c2nc(S[C@H](C)C(=O)N[C@H](C)CCc3ccccc3)n[nH]2)cc1 ZINC000006214805 569033265 /nfs/dbraw/zinc/03/32/65/569033265.db2.gz YMSQJZPUWYNOPB-IAGOWNOFSA-N 0 0 408.571 4.652 50 0 HJAARN Cc1ccc([C@@H](C)NC(=O)C2CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)cc1 ZINC000035398635 569035209 /nfs/dbraw/zinc/03/52/09/569035209.db2.gz JOZPGLFWEBNLKC-GOSISDBHSA-N 0 0 418.516 4.685 50 0 HJAARN O=C(CSc1ccccc1)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 ZINC000035399493 569035392 /nfs/dbraw/zinc/03/53/92/569035392.db2.gz WLVSNFCLHAMXKJ-UHFFFAOYSA-N 0 0 407.514 4.652 50 0 biogenic HJAARN COc1cccc(Cn2c3ccc(C)cc3c3ncn(Cc4ccccc4)c(=O)c32)c1 ZINC000035400608 569035476 /nfs/dbraw/zinc/03/54/76/569035476.db2.gz RBGMSQFNKYEVOY-UHFFFAOYSA-N 0 0 409.489 4.765 50 0 HJAARN COc1cc(CC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc(OC)c1OC ZINC000006258362 569035907 /nfs/dbraw/zinc/03/59/07/569035907.db2.gz MQHOPMMSXQMTLP-UHFFFAOYSA-N 0 0 418.902 4.671 50 0 HJAARN CCCCc1ccc(C(=O)N(CC(=O)N(CCCC)Cc2cccn2C)C2CC2)cc1 ZINC000035433384 569037024 /nfs/dbraw/zinc/03/70/24/569037024.db2.gz DOUONXHMKGGKIF-UHFFFAOYSA-N 0 0 423.601 4.801 50 0 HJAARN CCCCN(Cc1cccn1C)C(=O)CN(C(=O)C[C@@H](C)CC(C)(C)C)C1CC1 ZINC000035433824 569037043 /nfs/dbraw/zinc/03/70/43/569037043.db2.gz IQLFIOMCMBFJHK-LJQANCHMSA-N 0 0 403.611 4.607 50 0 HJAARN CCCNC(=O)Nc1cccc(-c2noc(-c3cccc(Br)c3)n2)c1 ZINC000035481896 569039511 /nfs/dbraw/zinc/03/95/11/569039511.db2.gz MRLZZPPHYOLHOW-UHFFFAOYSA-N 0 0 401.264 4.698 50 0 HJAARN CCCOc1c(Cl)cc(/C=C/C(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc1OC ZINC000012559435 569040131 /nfs/dbraw/zinc/04/01/31/569040131.db2.gz QEKXNOZDOTYCGM-ATWMFIQVSA-N 0 0 413.905 4.904 50 0 HJAARN COc1cccc(CNC(=O)c2ccc3cnn(Cc4ccc(Cl)cc4)c3c2)c1 ZINC000035505006 569040827 /nfs/dbraw/zinc/04/08/27/569040827.db2.gz GPUDOMUZWMXESC-UHFFFAOYSA-N 0 0 405.885 4.677 50 0 HJAARN COc1cccc2cc(C(=O)NCc3cc(-c4ccncc4)n(C4CCCC4)n3)oc21 ZINC000090607135 569041899 /nfs/dbraw/zinc/04/18/99/569041899.db2.gz TYDBELLUBJYECU-UHFFFAOYSA-N 0 0 416.481 4.745 50 0 HJAARN COc1cc(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)cc(OC)c1 ZINC000012974569 569042042 /nfs/dbraw/zinc/04/20/42/569042042.db2.gz ZDBLKIPBUHWFAR-UHFFFAOYSA-N 0 0 418.902 4.953 50 0 HJAARN Cc1ccc(COc2ccc(/C=C3/NC(=S)N(c4ccccc4)C3=O)cc2)cc1 ZINC000102964884 569042286 /nfs/dbraw/zinc/04/22/86/569042286.db2.gz BMTFTYYMZIUBBL-PXLXIMEGSA-N 0 0 400.503 4.836 50 0 HJAARN Cc1ccc(Oc2ccccc2NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1 ZINC000012977578 569042398 /nfs/dbraw/zinc/04/23/98/569042398.db2.gz HSCVIBALOHRJQC-GOSISDBHSA-N 0 0 404.466 4.871 50 0 HJAARN Cc1ccc(-c2nc3cnc(Br)cn3c2Nc2ccc3c(c2)OCO3)cc1 ZINC000035511598 569043093 /nfs/dbraw/zinc/04/30/93/569043093.db2.gz HTSXUHMMVPLMAT-UHFFFAOYSA-N 0 0 423.270 4.940 50 0 HJAARN COc1ccccc1CNC(=O)Nc1ccc2c(c1)N(C)C(=O)c1ccccc1S2 ZINC000006796035 569043198 /nfs/dbraw/zinc/04/31/98/569043198.db2.gz MFYHFBWQZZBFBK-UHFFFAOYSA-N 0 0 419.506 4.758 50 0 HJAARN O=C(NCCC1=CCCCC1)[C@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1 ZINC000035513100 569043227 /nfs/dbraw/zinc/04/32/27/569043227.db2.gz AAFORVHTEJFBOD-FQEVSTJZSA-N 0 0 408.521 4.506 50 0 HJAARN O=C(NCc1ccc(F)cc1)c1ccc(-c2cnc(NC3CCCCC3)nc2)cc1 ZINC000035514188 569043267 /nfs/dbraw/zinc/04/32/67/569043267.db2.gz CCWWOYYJXPVIEU-UHFFFAOYSA-N 0 0 404.489 4.957 50 0 HJAARN CCCN1C(=O)COc2ccc(-c3noc([C@H](C)Oc4cccc(Cl)c4)n3)cc21 ZINC000035527620 569043922 /nfs/dbraw/zinc/04/39/22/569043922.db2.gz ZOHHHQSLAGQQIP-ZDUSSCGKSA-N 0 0 413.861 4.665 50 0 HJAARN O=C(CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)NCCC1=CCCCC1 ZINC000035528864 569044086 /nfs/dbraw/zinc/04/40/86/569044086.db2.gz CYKCCPFPUHUMBL-UHFFFAOYSA-N 0 0 403.954 4.981 50 0 HJAARN O=C(C[C@H](c1c[nH]c2ccccc21)c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000035579558 569046087 /nfs/dbraw/zinc/04/60/87/569046087.db2.gz MWNKXGUIHZXCFV-SFHVURJKSA-N 0 0 402.416 4.568 50 0 HJAARN COc1cc(/C=C/C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)ccc1OC(C)C ZINC000006389305 569046363 /nfs/dbraw/zinc/04/63/63/569046363.db2.gz RJKFVQZGAAIQJJ-YRNVUSSQSA-N 0 0 409.461 4.518 50 0 HJAARN CC(C)=C[C@@H]1[C@@H](C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)C1(C)C ZINC000012987793 569047501 /nfs/dbraw/zinc/04/75/01/569047501.db2.gz ABQBIWXPMGCECP-OFNKIYASSA-N 0 0 415.537 4.690 50 0 HJAARN Cc1oc2ncn(Cc3ccccc3)c(=O)c2c1C(=O)Nc1cccc(Cl)c1C ZINC000035672041 569048580 /nfs/dbraw/zinc/04/85/80/569048580.db2.gz DJXFDCCNVOMMMA-UHFFFAOYSA-N 0 0 407.857 4.560 50 0 HJAARN CCCCc1ccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)cc1 ZINC000006429850 569048832 /nfs/dbraw/zinc/04/88/32/569048832.db2.gz HWHACDGQNQBJQY-UHFFFAOYSA-N 0 0 420.465 4.670 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)cc1 ZINC000012999440 569049113 /nfs/dbraw/zinc/04/91/13/569049113.db2.gz SFRQINGWDUFGKA-UHFFFAOYSA-N 0 0 415.902 4.515 50 0 HJAARN Cc1nc(CSc2ccccc2C(=O)Nc2ccc(Br)c(C)c2)no1 ZINC000013012766 569050619 /nfs/dbraw/zinc/05/06/19/569050619.db2.gz VQCDMEUYCPNPAH-UHFFFAOYSA-N 0 0 418.316 4.994 50 0 HJAARN COc1ccc(NC(=O)c2csc(-c3cccc(OC)c3OC)n2)cc1Cl ZINC000013018642 569051033 /nfs/dbraw/zinc/05/10/33/569051033.db2.gz KWKRSYZZAKOXFH-UHFFFAOYSA-N 0 0 404.875 4.742 50 0 HJAARN O=C(Nc1ccnn1Cc1cc(Br)cs1)c1ccc2ncsc2c1 ZINC000013022993 569051211 /nfs/dbraw/zinc/05/12/11/569051211.db2.gz XEKZGLXCXIJJLA-UHFFFAOYSA-N 0 0 419.329 4.617 50 0 HJAARN O=C(CCc1c[nH]c2ccccc12)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000013023005 569051256 /nfs/dbraw/zinc/05/12/56/569051256.db2.gz NNJMPGFLKJINGB-UHFFFAOYSA-N 0 0 423.314 4.747 50 0 HJAARN CCCOC(=O)c1cccc(Nc2c(C(=O)OCC)cnc3ccc(OC)cc32)c1 ZINC000001777841 569052568 /nfs/dbraw/zinc/05/25/68/569052568.db2.gz PLWRVJSFMTXYOF-UHFFFAOYSA-N 0 0 408.454 4.731 50 0 HJAARN CCCOc1ccccc1Nc1ncnc2ccc(I)cc21 ZINC000001779977 569052626 /nfs/dbraw/zinc/05/26/26/569052626.db2.gz HZYALEGLLXRESW-UHFFFAOYSA-N 0 0 405.239 4.767 50 0 HJAARN CCCCCNC(=O)[C@H]1CS[C@H](c2ccc(F)cc2)N1C(=O)c1ccc(C)cc1 ZINC000035703290 569052716 /nfs/dbraw/zinc/05/27/16/569052716.db2.gz YFMRAYTZGLXTHN-NFBKMPQASA-N 0 0 414.546 4.697 50 0 HJAARN CC(C)C[C@H](C(=O)Oc1ccc(-c2ccccc2)cc1)N1C(=O)c2ccccc2C1=O ZINC000001807863 569053581 /nfs/dbraw/zinc/05/35/81/569053581.db2.gz HMYVXVFXFIAZCB-HSZRJFAPSA-N 0 0 413.473 4.970 50 0 HJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000137798540 569053708 /nfs/dbraw/zinc/05/37/08/569053708.db2.gz MUTCSHDRYWFKDV-CCDWMCETSA-N 0 0 420.468 4.891 50 0 HJAARN COc1ccc(C(=O)[C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN32)cc1 ZINC000025578172 569053849 /nfs/dbraw/zinc/05/38/49/569053849.db2.gz ITRRDDIVDBXDFN-XMSQKQJNSA-N 0 0 408.841 4.694 50 0 HJAARN C[C@@H](NC(=O)CN1CCC[C@H]1c1nc2ccccc2s1)c1cc2ccccc2o1 ZINC000239433265 569054337 /nfs/dbraw/zinc/05/43/37/569054337.db2.gz XLCAGXRIGHCOHU-QAPCUYQASA-N 0 0 405.523 5.057 50 0 HJAARN Cc1c(Cl)cccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C1=O ZINC000245312312 569055804 /nfs/dbraw/zinc/05/58/04/569055804.db2.gz TXMYRMUHOJDGJQ-YPAWHYETSA-N 0 0 418.880 4.700 50 0 HJAARN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4Cl)[C@H]3C2=O)cc1 ZINC000245325131 569055828 /nfs/dbraw/zinc/05/58/28/569055828.db2.gz CNTPOBMIWIPEHC-YPAWHYETSA-N 0 0 418.880 4.700 50 0 HJAARN Cc1sc(NC(=O)c2ccccc2)c(CN2CCN(c3ccccc3)CC2)c1C ZINC000054105765 569057474 /nfs/dbraw/zinc/05/74/74/569057474.db2.gz MTGCLPBPVVKTLK-UHFFFAOYSA-N 0 0 405.567 4.939 50 0 HJAARN C[C@@H]1CCc2c(C(=O)OCC(=O)N3CCC(Cc4ccccc4)CC3)csc2C1 ZINC000006468287 569057984 /nfs/dbraw/zinc/05/79/84/569057984.db2.gz UBQSZBQMLXNDRI-QGZVFWFLSA-N 0 0 411.567 4.511 50 0 HJAARN Cc1nn(C)c(C)c1/C=C1/C[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@H]1O ZINC000253534515 569058317 /nfs/dbraw/zinc/05/83/17/569058317.db2.gz IFDSJTUAVYQLDO-OZVVJSJISA-N 0 0 412.618 4.795 50 0 HJAARN C[C@@H](CC(=O)N(Cc1ccco1)Cc1ccc(OS(C)(=O)=O)cc1)CC(C)(C)C ZINC000035770113 569058335 /nfs/dbraw/zinc/05/83/35/569058335.db2.gz PRNNFVYXXLUOMZ-KRWDZBQOSA-N 0 0 421.559 4.609 50 0 HJAARN CCCCCOC(=O)c1ccc(Nc2nc(C(=O)OCC)nc3ccccc32)cc1 ZINC000001913359 569059268 /nfs/dbraw/zinc/05/92/68/569059268.db2.gz YAGSXXCCSULKRI-UHFFFAOYSA-N 0 0 407.470 4.897 50 0 HJAARN COc1ccc(C(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccc(OC)cc2)cc1 ZINC000001184758 569060321 /nfs/dbraw/zinc/06/03/21/569060321.db2.gz YZHMWJGQEUCYER-UHFFFAOYSA-N 0 0 416.429 4.739 50 0 biogenic HJAARN Cc1cccc(N2CCN(c3nc(=O)c4scc(-c5ccccc5)c4[nH]3)C[C@H]2C)c1 ZINC000064392423 569060582 /nfs/dbraw/zinc/06/05/82/569060582.db2.gz OCPSQZDYNHXNCQ-QGZVFWFLSA-N 0 0 416.550 4.675 50 0 HJAARN CCCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(Br)c2)cc1 ZINC000005046867 569060895 /nfs/dbraw/zinc/06/08/95/569060895.db2.gz XAVFQTUDSJVORJ-UHFFFAOYSA-N 0 0 406.276 4.667 50 0 HJAARN COc1ccccc1C1=NO[C@H](CN(Cc2ccccc2)C(=O)Nc2ccccc2)C1 ZINC000035836062 569061993 /nfs/dbraw/zinc/06/19/93/569061993.db2.gz FLWCIBRRRSVWCZ-NRFANRHFSA-N 0 0 415.493 4.923 50 0 HJAARN Cc1ccc(Cc2nc3nc4c(c(Nc5cc(F)ccc5F)n3n2)CCCC4)cc1 ZINC000064449988 569062715 /nfs/dbraw/zinc/06/27/15/569062715.db2.gz WEHIJEZNKIWCSG-UHFFFAOYSA-N 0 0 405.452 4.924 50 0 HJAARN CC[C@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)C4CCC4)CC2)n1)CCCC3 ZINC000035849366 569062766 /nfs/dbraw/zinc/06/27/66/569062766.db2.gz OFYWVJMVDVQRSZ-HNNXBMFYSA-N 0 0 412.603 4.532 50 0 HJAARN Cc1ccc(Oc2nccnc2N2CCC[C@H](C(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000064452343 569062836 /nfs/dbraw/zinc/06/28/36/569062836.db2.gz LVNZNOIOBYPVAP-KRWDZBQOSA-N 0 0 406.461 4.572 50 0 HJAARN Cc1cc(C)cc(NC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3)C2)c1 ZINC000064452438 569062934 /nfs/dbraw/zinc/06/29/34/569062934.db2.gz YEWWJZCXKXMHIA-IBGZPJMESA-N 0 0 402.498 4.741 50 0 HJAARN COc1cc2nc(C(=O)N3CCCCC3)cc(Nc3ccc(F)cc3)c2cc1OC ZINC000064474046 569063591 /nfs/dbraw/zinc/06/35/91/569063591.db2.gz GVVAZHCRMXWMSX-UHFFFAOYSA-N 0 0 409.461 4.761 50 0 HJAARN Cc1ccc(NC(=O)N2CCN(c3nc4ccccc4n4cccc34)CC2)c(Cl)c1 ZINC000064473060 569063694 /nfs/dbraw/zinc/06/36/94/569063694.db2.gz RPACXAVZOCCNDM-UHFFFAOYSA-N 0 0 419.916 4.803 50 0 HJAARN C[C@H]1Oc2ccc(NC(=O)c3ccccc3Cl)cc2CN(Cc2ccccc2)C1=O ZINC000035873112 569064197 /nfs/dbraw/zinc/06/41/97/569064197.db2.gz ALKYXUWKEIYEEU-MRXNPFEDSA-N 0 0 420.896 4.902 50 0 HJAARN CCn1cc([C@H](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c2cccc(F)c2)c2ccccc21 ZINC000035872427 569064199 /nfs/dbraw/zinc/06/41/99/569064199.db2.gz MJOHGUSTVPKNGW-KGVIQGDOSA-N 0 0 408.517 4.958 50 0 HJAARN COc1ccc(N(C[C@H]2CC2(Cl)Cl)S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000006541694 569064814 /nfs/dbraw/zinc/06/48/14/569064814.db2.gz MMVKMTJQSDOONW-OAHLLOKOSA-N 0 0 414.354 4.701 50 0 HJAARN CCOC(=O)[C@H]1CCCN(c2nc(CC(C)C)nc3sc4c(c32)CCCCC4)C1 ZINC000035893021 569065061 /nfs/dbraw/zinc/06/50/61/569065061.db2.gz ROYKEAYXCGRTKM-INIZCTEOSA-N 0 0 415.603 4.938 50 0 HJAARN CCOC(=O)[C@@H]1CCCN(c2nc(CC(C)C)nc3sc4c(c32)CCCCC4)C1 ZINC000035893019 569065086 /nfs/dbraw/zinc/06/50/86/569065086.db2.gz ROYKEAYXCGRTKM-MRXNPFEDSA-N 0 0 415.603 4.938 50 0 HJAARN O=C(CN1CCC(c2nc3ccccc3s2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000006553604 569065567 /nfs/dbraw/zinc/06/55/67/569065567.db2.gz LMYFQRRRRFSPOB-HXUWFJFHSA-N 0 0 405.567 4.670 50 0 HJAARN O=C(CN1CCC(c2nc3ccccc3s2)CC1)N[C@H]1CCCc2ccccc21 ZINC000006553603 569065598 /nfs/dbraw/zinc/06/55/98/569065598.db2.gz LMYFQRRRRFSPOB-FQEVSTJZSA-N 0 0 405.567 4.670 50 0 HJAARN CC[C@@H]1Oc2ccc(NC(=O)C3CCCC3)cc2CN(Cc2cccc(OC)c2)C1=O ZINC000035909215 569065694 /nfs/dbraw/zinc/06/56/94/569065694.db2.gz YVSDTLUXHMOUBK-QFIPXVFZSA-N 0 0 422.525 4.524 50 0 HJAARN Cc1cc(-c2c(C)nc3c(OCc4ccc(C(C)(C)C)cc4)cccn3c2=O)nn1C ZINC000035911470 569066024 /nfs/dbraw/zinc/06/60/24/569066024.db2.gz NNQGBPJDHZMKMO-UHFFFAOYSA-N 0 0 416.525 4.588 50 0 HJAARN C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000006571195 569066668 /nfs/dbraw/zinc/06/66/68/569066668.db2.gz LPAMWOMFYWGENP-DOTOQJQBSA-N 0 0 412.584 4.783 50 0 HJAARN CC(=O)N1N=C(c2cc(C)nc3ccccc32)O[C@H]1c1ccc(Br)cc1 ZINC000064567328 569067357 /nfs/dbraw/zinc/06/73/57/569067357.db2.gz DGUNLZXLKZZOLV-FQEVSTJZSA-N 0 0 410.271 4.545 50 0 HJAARN COc1cccc2c(Nc3cc(F)ccc3C)cc(C(=O)N3CCSCC3)nc12 ZINC000064568503 569067588 /nfs/dbraw/zinc/06/75/88/569067588.db2.gz NJBDEXFYABIDHB-UHFFFAOYSA-N 0 0 411.502 4.624 50 0 HJAARN COc1cccc2c(Nc3cccc(Cl)c3)cc(C(=O)N3CCSCC3)nc12 ZINC000064568502 569067615 /nfs/dbraw/zinc/06/76/15/569067615.db2.gz QZJDPODJMNHYMJ-UHFFFAOYSA-N 0 0 413.930 4.829 50 0 HJAARN CCOc1ccccc1Nc1cc(C(=O)N2CCSCC2)nc2c(OC)cccc12 ZINC000064568509 569067629 /nfs/dbraw/zinc/06/76/29/569067629.db2.gz ZZMBSPNAZQVKQM-UHFFFAOYSA-N 0 0 423.538 4.575 50 0 HJAARN COc1ccc2c(c1)nc(SCC(=O)NC(=O)NC(C)(C)C)cc2-c1ccccc1 ZINC000006589447 569068080 /nfs/dbraw/zinc/06/80/80/569068080.db2.gz PMMHCXKVWZHOEO-UHFFFAOYSA-N 0 0 423.538 4.627 50 0 HJAARN COc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccccc3F)n2)cc1 ZINC000064579676 569068387 /nfs/dbraw/zinc/06/83/87/569068387.db2.gz JEERYDACKWXHPG-UHFFFAOYSA-N 0 0 419.412 4.569 50 0 HJAARN Cc1nc([C@H](C)N(C)Cc2nc3ccccc3c(=O)[nH]2)oc1-c1ccc(Cl)cc1 ZINC000089557950 569070166 /nfs/dbraw/zinc/07/01/66/569070166.db2.gz NUUJGWHOGKBUHX-AWEZNQCLSA-N 0 0 408.889 4.733 50 0 HJAARN COc1ccc(-c2c(C)oc3c(ccc4c3CN(Cc3cccnc3)CO4)c2=O)cc1 ZINC000054313253 569070670 /nfs/dbraw/zinc/07/06/70/569070670.db2.gz NRJMCETVAATYEQ-UHFFFAOYSA-N 0 0 414.461 4.524 50 0 biogenic HJAARN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc2ccccc2n1 ZINC000006606509 569071246 /nfs/dbraw/zinc/07/12/46/569071246.db2.gz LGHZYCFQJRWRDH-IBGZPJMESA-N 0 0 416.308 4.935 50 0 HJAARN O=c1[nH]c(=O)c2c([nH]1)Nc1ccc3ccccc3c1[C@@H]2c1ccc(Cl)cc1Cl ZINC000004623534 569071441 /nfs/dbraw/zinc/07/14/41/569071441.db2.gz ZKUYRJHBTPQWNY-KRWDZBQOSA-N 0 0 410.260 4.760 50 0 HJAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C(=O)NCC ZINC000035980844 569071909 /nfs/dbraw/zinc/07/19/09/569071909.db2.gz VTBQRGWPGJHEJP-UHFFFAOYSA-N 0 0 422.529 4.830 50 0 HJAARN C/C=C/CN(C(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2)[C@H](C)CC ZINC000426374470 569072585 /nfs/dbraw/zinc/07/25/85/569072585.db2.gz ZOOWLTVNBFEZEU-PMGBHYCQSA-N 0 0 401.576 4.728 50 0 HJAARN C[C@H]1CCCCN1c1nc(-c2ccccc2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000035987202 569074184 /nfs/dbraw/zinc/07/41/84/569074184.db2.gz CFZZZUMGVULLDR-KRWDZBQOSA-N 0 0 404.489 4.592 50 0 HJAARN Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)c(C)c1 ZINC000006623502 569075180 /nfs/dbraw/zinc/07/51/80/569075180.db2.gz JVEJQAGETZAHCO-UHFFFAOYSA-N 0 0 416.449 4.635 50 0 HJAARN O=C1C[C@@H](c2ccccc2Cl)c2scc(S(=O)(=O)c3ccccc3)c2N1 ZINC000064656625 569076823 /nfs/dbraw/zinc/07/68/23/569076823.db2.gz HLXVKLUHRPGFNP-AWEZNQCLSA-N 0 0 403.912 4.708 50 0 HJAARN O=C(NC[C@@H]1CCCO1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 ZINC000064669421 569078860 /nfs/dbraw/zinc/07/88/60/569078860.db2.gz RTYJPFKPEYJHSO-IBGZPJMESA-N 0 0 423.488 4.973 50 0 HJAARN O=C(C[C@H]1COc2ccc(Cl)cc2N1Cc1ccccc1)NCc1ccccc1 ZINC000064663708 569079715 /nfs/dbraw/zinc/07/97/15/569079715.db2.gz DKPUNDGSVSCKDT-NRFANRHFSA-N 0 0 406.913 4.814 50 0 HJAARN O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000006649374 569080143 /nfs/dbraw/zinc/08/01/43/569080143.db2.gz VXZMPZYBXCVADU-FQEVSTJZSA-N 0 0 414.486 4.607 50 0 HJAARN Cc1cccc(CCNC(=O)Cc2csc3nc(-c4ccc(C)c(C)c4)cn23)c1 ZINC000064676295 569080389 /nfs/dbraw/zinc/08/03/89/569080389.db2.gz OFRQGETZFFTRBT-UHFFFAOYSA-N 0 0 403.551 4.889 50 0 HJAARN Cc1ccc(-c2nc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cs2)s1 ZINC000064676462 569080418 /nfs/dbraw/zinc/08/04/18/569080418.db2.gz YATDWLVTBLBTOE-UHFFFAOYSA-N 0 0 403.960 4.796 50 0 HJAARN 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COc1ccc2c(c1)NC1(CCN(C(=O)Cc3ccc(Cl)cc3)CC1)c1cccn1-2 ZINC000064858678 569109246 /nfs/dbraw/zinc/10/92/46/569109246.db2.gz MZIXZUKJCIOYLX-UHFFFAOYSA-N 0 0 421.928 4.625 50 0 biogenic HJAARN Cc1c(NC(=O)Nc2cc(C)cc(C)c2)sc2nc3n(c(=O)c12)CC[C@H](C)CC3 ZINC000006750162 569109252 /nfs/dbraw/zinc/10/92/52/569109252.db2.gz KFCCJYFMCXHTSD-GFCCVEGCSA-N 0 0 410.543 5.000 50 0 HJAARN Cc1ccc(C[S@@](=O)Cc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)o2)cc1 ZINC000006751496 569110132 /nfs/dbraw/zinc/11/01/32/569110132.db2.gz ZJKCHTKVVXMFOD-MNNSJKJDSA-N 0 0 407.535 4.844 50 0 HJAARN CC[C@@H](C(=O)NC1CCCC1)n1c2cnccc2nc1SCc1cccc(F)c1 ZINC000006752244 569110215 /nfs/dbraw/zinc/11/02/15/569110215.db2.gz KKKRBUSNOZGEDO-IBGZPJMESA-N 0 0 412.534 4.873 50 0 HJAARN O=C(Cn1c2cnccc2nc1SCc1cccc(F)c1)NCCC1=CCCCC1 ZINC000006752238 569110234 /nfs/dbraw/zinc/11/02/34/569110234.db2.gz UAMWECQDSNVEIA-UHFFFAOYSA-N 0 0 424.545 4.869 50 0 HJAARN CCNC(=O)c1ccc(CSc2nc3ccncc3n2Cc2cccc(C)c2)cc1 ZINC000006752385 569110305 /nfs/dbraw/zinc/11/03/05/569110305.db2.gz VWIYUHAABDVHOK-UHFFFAOYSA-N 0 0 416.550 4.830 50 0 HJAARN Cc1ccc(C)c(OCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)c1 ZINC000006752565 569110377 /nfs/dbraw/zinc/11/03/77/569110377.db2.gz VVOYGIWTYBVGNT-UHFFFAOYSA-N 0 0 419.569 4.971 50 0 aggregator HJAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccc(F)cc2)N1CCc1ccccc1 ZINC000006752873 569111458 /nfs/dbraw/zinc/11/14/58/569111458.db2.gz CXLWOEKFLWICEC-DEOSSOPVSA-N 0 0 413.452 4.709 50 0 HJAARN CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cccc(OCCC)c1 ZINC000006752999 569111653 /nfs/dbraw/zinc/11/16/53/569111653.db2.gz WMPOCWIBCVHZMY-HSZRJFAPSA-N 0 0 405.498 4.916 50 0 HJAARN COC(=O)CC1=CC(SCC(=O)Nc2cc(C)cc(C)c2)=Nc2ccccc2N1 ZINC000064869464 569112176 /nfs/dbraw/zinc/11/21/76/569112176.db2.gz POWNNYGCCVVQLP-UHFFFAOYSA-N 0 0 409.511 4.578 50 0 HJAARN CCc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(F)cc2)cc1 ZINC000064872009 569113683 /nfs/dbraw/zinc/11/36/83/569113683.db2.gz SGKPAPDOEANDFI-UHFFFAOYSA-N 0 0 418.515 4.527 50 0 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/nfs/dbraw/zinc/11/65/08/569116508.db2.gz PSTZKLLZWDQJKO-UHFFFAOYSA-N 0 0 415.486 4.547 50 0 HJAARN C[C@@H](c1ccc(F)cc1)N(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(F)cc1 ZINC000036246603 569116731 /nfs/dbraw/zinc/11/67/31/569116731.db2.gz IPSMJLDNEHILOC-AWEZNQCLSA-N 0 0 417.433 4.650 50 0 HJAARN COc1cc(OC)cc(N(Cc2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000036247017 569116864 /nfs/dbraw/zinc/11/68/64/569116864.db2.gz GZOAZVWYTWJHHO-UHFFFAOYSA-N 0 0 411.523 4.716 50 0 HJAARN COc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2F)c2cccc(C)c2)cc1 ZINC000036247263 569116923 /nfs/dbraw/zinc/11/69/23/569116923.db2.gz KDCNCJHGLHVQOT-UHFFFAOYSA-N 0 0 403.450 4.677 50 0 HJAARN COc1ccc(S(=O)(=O)N(Cc2ccccc2OC)c2ccc(Cl)cc2)cc1 ZINC000036247581 569116975 /nfs/dbraw/zinc/11/69/75/569116975.db2.gz JHSJTIQFEHKDFH-UHFFFAOYSA-N 0 0 417.914 4.753 50 0 HJAARN COc1ccc(S(=O)(=O)N(Cc2cccc(F)c2)c2cccc(Cl)c2)cc1 ZINC000036247333 569117041 /nfs/dbraw/zinc/11/70/41/569117041.db2.gz FFEYWTXDPIKHQH-UHFFFAOYSA-N 0 0 405.878 4.883 50 0 HJAARN COc1ccccc1CN(c1cccc(F)c1)S(=O)(=O)c1ccccc1Cl ZINC000036247545 569117059 /nfs/dbraw/zinc/11/70/59/569117059.db2.gz ZNKOJLFUMGNEIS-UHFFFAOYSA-N 0 0 405.878 4.883 50 0 HJAARN Cn1c2ccccc2c2sc(C(=O)NCC3(c4ccccc4)CCCC3)cc2c1=O ZINC000006771938 569117201 /nfs/dbraw/zinc/11/72/01/569117201.db2.gz UFZDRXQBKFGGDB-UHFFFAOYSA-N 0 0 416.546 4.995 50 0 HJAARN COc1cccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000036248455 569117588 /nfs/dbraw/zinc/11/75/88/569117588.db2.gz WSBCAFASIJMZER-UHFFFAOYSA-N 0 0 403.450 4.677 50 0 HJAARN Cc1cccc(S(=O)(=O)N(c2ccc3c(c2)OCO3)[C@@H](C)c2ccc(F)cc2)c1 ZINC000036248558 569118199 /nfs/dbraw/zinc/11/81/99/569118199.db2.gz IRGXKMDIYULWDW-INIZCTEOSA-N 0 0 413.470 4.819 50 0 HJAARN CCCN(CCC(=O)NCc1ccccc1)c1nc(CC)nc2cc(Cl)ccc21 ZINC000006774892 569118408 /nfs/dbraw/zinc/11/84/08/569118408.db2.gz OGNKGTFGTYUFKA-UHFFFAOYSA-N 0 0 410.949 4.769 50 0 HJAARN Cc1ccc(-c2nc3ccccc3c(NCCNC(=O)c3cccc(F)c3)n2)cc1 ZINC000006774472 569118442 /nfs/dbraw/zinc/11/84/42/569118442.db2.gz DGORHYNRJDMXKB-UHFFFAOYSA-N 0 0 400.457 4.586 50 0 HJAARN Cc1ccc(-n2nc(C(=O)NCc3ccc(Cl)cc3)cc2-c2cccnc2)cc1 ZINC000064896668 569118643 /nfs/dbraw/zinc/11/86/43/569118643.db2.gz IWRDSPUAKUXHJH-UHFFFAOYSA-N 0 0 402.885 4.826 50 0 HJAARN Cc1ccc(C(=O)N[C@H](C(=O)NC(c2ccccc2)c2ccccc2)C(C)C)cc1 ZINC000006778593 569118802 /nfs/dbraw/zinc/11/88/02/569118802.db2.gz XEIBQHVXLJYIBG-QHCPKHFHSA-N 0 0 400.522 4.655 50 0 HJAARN CCCN(CCC(=O)N[C@@H](C)c1ccccc1)c1nc(C2CC2)nc2ccccc21 ZINC000006775224 569118849 /nfs/dbraw/zinc/11/88/49/569118849.db2.gz MYADXTDAIHUCDC-SFHVURJKSA-N 0 0 402.542 4.991 50 0 HJAARN CC(C)COc1nc(-c2ccc(F)cc2)n(-c2ccc(NC(=O)c3ccco3)cc2)n1 ZINC000006776221 569119074 /nfs/dbraw/zinc/11/90/74/569119074.db2.gz ULQGAYMEVCJJBB-UHFFFAOYSA-N 0 0 420.444 4.954 50 0 HJAARN CC(C)COc1nc(-c2ccco2)n(-c2ccc(NC(=O)c3ccccc3F)cc2)n1 ZINC000006776335 569119077 /nfs/dbraw/zinc/11/90/77/569119077.db2.gz WGFHWOPCMXWKGF-UHFFFAOYSA-N 0 0 420.444 4.954 50 0 HJAARN O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(c2ccnc(-c3ccc(F)cc3)n2)C1 ZINC000064928912 569123278 /nfs/dbraw/zinc/12/32/78/569123278.db2.gz MFPKDVAMZZPDNH-INIZCTEOSA-N 0 0 410.880 4.791 50 0 HJAARN COc1cc(C(C)=O)ccc1OCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000006790321 569124195 /nfs/dbraw/zinc/12/41/95/569124195.db2.gz SAFHHEYXZPZWSB-UHFFFAOYSA-N 0 0 416.886 4.692 50 0 HJAARN Cc1c(C(=O)NCCc2ccccc2)oc2ccc3c(c12)C(=O)CC1(CCCC1)O3 ZINC000006793674 569124837 /nfs/dbraw/zinc/12/48/37/569124837.db2.gz JTFBXMPVYAFBCE-UHFFFAOYSA-N 0 0 403.478 4.992 50 0 biogenic HJAARN CC[C@H](C(=O)Nc1cc(F)ccc1F)n1nc(C)c2sc3ccccc3c2c1=O ZINC000006799338 569126391 /nfs/dbraw/zinc/12/63/91/569126391.db2.gz JXLIJMNOFIYFLN-MRXNPFEDSA-N 0 0 413.449 4.788 50 0 HJAARN CCn1cc([C@H](CC(=O)N2C[C@H](C)O[C@@H](C)C2)c2cccc(F)c2)c2ccccc21 ZINC000169681616 569127688 /nfs/dbraw/zinc/12/76/88/569127688.db2.gz MJOHGUSTVPKNGW-NPPFBWRTSA-N 0 0 408.517 4.958 50 0 HJAARN CC(C)Cc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4cccnc4)no3)o2)cc1 ZINC000064947414 569129290 /nfs/dbraw/zinc/12/92/90/569129290.db2.gz UQBNHMXMRMXDSV-UHFFFAOYSA-N 0 0 423.494 4.564 50 0 HJAARN CCN(c1cccc(C)c1)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000006804201 569130757 /nfs/dbraw/zinc/13/07/57/569130757.db2.gz PPUIEEVQHQVFPV-SFTDATJTSA-N 0 0 406.979 4.764 50 0 HJAARN O=C(NCCc1c[nH]c2ccccc12)c1ccc2nc(N3CCCCC3)sc2c1 ZINC000006806246 569130965 /nfs/dbraw/zinc/13/09/65/569130965.db2.gz CVILBIVOXOFTPG-UHFFFAOYSA-N 0 0 404.539 4.740 50 0 HJAARN O=C(Nc1ccc(F)cc1Cl)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2 ZINC000006808377 569132569 /nfs/dbraw/zinc/13/25/69/569132569.db2.gz JEVFOUKASBHKDO-UHFFFAOYSA-N 0 0 407.875 4.747 50 0 HJAARN Cc1nn2c(nc(C)c(CC(=O)NCCCc3ccccc3)c2C)c1-c1ccccc1 ZINC000006808879 569132973 /nfs/dbraw/zinc/13/29/73/569132973.db2.gz OTQWGXXRCRVEDD-UHFFFAOYSA-N 0 0 412.537 4.613 50 0 HJAARN CC[C@@H](C)NC(=O)CCc1c(C)nc2nc(-c3ccc(Cl)cc3Cl)nn2c1C ZINC000006809092 569133204 /nfs/dbraw/zinc/13/32/04/569133204.db2.gz CYIMCTBKOFCQAD-LLVKDONJSA-N 0 0 420.344 4.562 50 0 HJAARN Cc1ccc(-n2ncc3c4nc(COc5cc(C(C)C)ccc5C)nn4cnc32)cc1 ZINC000006810132 569134849 /nfs/dbraw/zinc/13/48/49/569134849.db2.gz HNEIQENUIFGTQW-UHFFFAOYSA-N 0 0 412.497 4.782 50 0 HJAARN O=C(c1cccc(Br)c1)N1CCC[C@H](OCc2cc(F)ccc2F)C1 ZINC000036315514 569134957 /nfs/dbraw/zinc/13/49/57/569134957.db2.gz PSHVYGUNGMASAC-KRWDZBQOSA-N 0 0 410.258 4.549 50 0 HJAARN CCOC(=O)c1nc2onc(-c3ccc(F)cc3)c2c(NCc2ccccc2C)n1 ZINC000064960339 569135527 /nfs/dbraw/zinc/13/55/27/569135527.db2.gz IKGSMHDTKSXBRY-UHFFFAOYSA-N 0 0 406.417 4.521 50 0 HJAARN CCn1cc(-c2nc(-c3ccc(OC(C)C)c(OC)c3)no2)c(=O)c2cc(F)ccc21 ZINC000064963661 569136882 /nfs/dbraw/zinc/13/68/82/569136882.db2.gz QPUMBECBVHLQGQ-UHFFFAOYSA-N 0 0 423.444 4.673 50 0 HJAARN CC1(C)N=C(SCC(=O)Nc2ccc(F)cc2F)C(c2ccc(Cl)cc2)=N1 ZINC000006818764 569138994 /nfs/dbraw/zinc/13/89/94/569138994.db2.gz BCLHVVNEBRRDJU-UHFFFAOYSA-N 0 0 407.873 4.927 50 0 HJAARN Cc1csc2nc(COc3ccc(C)cc3NC(=O)c3ccc(C)cc3)cc(=O)n12 ZINC000064976785 569139785 /nfs/dbraw/zinc/13/97/85/569139785.db2.gz GLIRCMYLJQDZEM-UHFFFAOYSA-N 0 0 419.506 4.513 50 0 HJAARN Cc1cn2c(nc(COc3ccc(C)cc3NC(=O)c3ccccc3C)cc2=O)s1 ZINC000064976844 569139901 /nfs/dbraw/zinc/13/99/01/569139901.db2.gz NPXHHQPPPKDPPK-UHFFFAOYSA-N 0 0 419.506 4.513 50 0 HJAARN Cc1cn2c(nc(COc3cc(C)ccc3NC(=O)c3ccccc3C)cc2=O)s1 ZINC000064976877 569139933 /nfs/dbraw/zinc/13/99/33/569139933.db2.gz QVJXMRWULVXADC-UHFFFAOYSA-N 0 0 419.506 4.513 50 0 HJAARN O=C(NCc1ccc2c(c1)CCN2C(=O)c1ccccc1)c1ccccc1C(F)(F)F ZINC000064978204 569140261 /nfs/dbraw/zinc/14/02/61/569140261.db2.gz OSROZPGDHTUBFA-UHFFFAOYSA-N 0 0 424.422 4.838 50 0 HJAARN Cc1cccc(C(=O)N2CCc3cc(CNC(=O)c4ccc(Cl)cc4)ccc32)c1 ZINC000064978287 569140440 /nfs/dbraw/zinc/14/04/40/569140440.db2.gz BNDFNYVNEJDBEX-UHFFFAOYSA-N 0 0 404.897 4.781 50 0 HJAARN COc1ccc([C@H]2c3cccn3CCCN2Cc2ccc(F)cc2)c(OC)c1OC ZINC000036348531 569144647 /nfs/dbraw/zinc/14/46/47/569144647.db2.gz ZXXUZHYLCPNKFV-QFIPXVFZSA-N 0 0 410.489 4.648 50 0 HJAARN CCCCc1ccc(NC(=O)c2ccc(-c3cc(N4CCOCC4)ncn3)cc2)cc1 ZINC000064989421 569145959 /nfs/dbraw/zinc/14/59/59/569145959.db2.gz BAKREPGNMSCMSX-UHFFFAOYSA-N 0 0 416.525 4.575 50 0 HJAARN O=C(CCc1ccccc1)NCc1ccc2c(c1)N(C(=O)c1ccc(Cl)cc1)CC2 ZINC000064989671 569146080 /nfs/dbraw/zinc/14/60/80/569146080.db2.gz IBLSLGYNRHDLFP-UHFFFAOYSA-N 0 0 418.924 4.792 50 0 HJAARN CCOc1ccccc1C(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1C)CC2 ZINC000064990038 569146349 /nfs/dbraw/zinc/14/63/49/569146349.db2.gz NXYNXBGAZGKNPC-UHFFFAOYSA-N 0 0 414.505 4.527 50 0 HJAARN CCOc1ccccc1NC(=O)NCc1ccc2c(c1)N(C(=O)c1ccccc1)CC2 ZINC000064990413 569146481 /nfs/dbraw/zinc/14/64/81/569146481.db2.gz SMEVTSBUTNZURY-UHFFFAOYSA-N 0 0 415.493 4.610 50 0 HJAARN C[C@@H]1Cc2ccc(CNC(=O)Nc3ccc(F)cc3F)cc2N1C(=O)c1ccccc1 ZINC000064990640 569146540 /nfs/dbraw/zinc/14/65/40/569146540.db2.gz XRZOWRAIBJBFHF-OAHLLOKOSA-N 0 0 421.447 4.878 50 0 HJAARN C[C@H]1Cc2ccc(CNC(=O)Nc3ccc(F)cc3F)cc2N1C(=O)c1ccccc1 ZINC000064990641 569146547 /nfs/dbraw/zinc/14/65/47/569146547.db2.gz XRZOWRAIBJBFHF-HNNXBMFYSA-N 0 0 421.447 4.878 50 0 HJAARN Cc1cccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccc(F)cc4)cc32)c1 ZINC000064990885 569146681 /nfs/dbraw/zinc/14/66/81/569146681.db2.gz AUPUKQBLUXEUDC-UHFFFAOYSA-N 0 0 403.457 4.659 50 0 HJAARN Cc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1C ZINC000006830898 569147351 /nfs/dbraw/zinc/14/73/51/569147351.db2.gz NWYZBQDGILAHOX-UHFFFAOYSA-N 0 0 415.522 4.677 50 0 HJAARN COc1cccc(-c2nc(OCC(C)C)nn2-c2cccc(NC(=O)CC(C)C)c2)c1 ZINC000006833050 569148204 /nfs/dbraw/zinc/14/82/04/569148204.db2.gz JHMWCBJTLCCZIZ-UHFFFAOYSA-N 0 0 422.529 4.962 50 0 HJAARN COc1cccc(-c2nc(OCC(C)C)nn2-c2cccc(NC(=O)C3CCC3)c2)c1 ZINC000006833049 569148284 /nfs/dbraw/zinc/14/82/84/569148284.db2.gz LKHAKDGMFDVIHV-UHFFFAOYSA-N 0 0 420.513 4.716 50 0 HJAARN COc1ccc(-n2cnc3c2NC(=O)C[C@@H]3c2ccc(OC(C)C)c(OC)c2)cc1 ZINC000036357107 569148728 /nfs/dbraw/zinc/14/87/28/569148728.db2.gz UYTACBIGITZACQ-GOSISDBHSA-N 0 0 407.470 4.800 50 0 HJAARN O=C(NCc1ccco1)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 ZINC000036357753 569149175 /nfs/dbraw/zinc/14/91/75/569149175.db2.gz JTHQYCFUQUOGLM-JOCHJYFZSA-N 0 0 400.478 4.653 50 0 HJAARN CCc1cccc2c([C@H](CC(=O)N3CCCC3)c3ccc(OC)c(OC)c3)c[nH]c21 ZINC000006837912 569149548 /nfs/dbraw/zinc/14/95/48/569149548.db2.gz LBSDJFBGCPRTBD-HXUWFJFHSA-N 0 0 406.526 4.892 50 0 HJAARN CCCCCc1ccc(C(=O)CSc2nnc(NC(=O)C3CCC3)s2)cc1 ZINC000006838311 569149611 /nfs/dbraw/zinc/14/96/11/569149611.db2.gz AHNOKYRWIIZDPU-UHFFFAOYSA-N 0 0 403.573 4.984 50 0 HJAARN O=C(Cc1cccs1)Nc1cccc([C@@H]2SCC(=O)N2c2cccc(F)c2)c1 ZINC000006838456 569149787 /nfs/dbraw/zinc/14/97/87/569149787.db2.gz WLQHNZHLOYLTRQ-NRFANRHFSA-N 0 0 412.511 4.847 50 0 HJAARN O=C(CSc1nnc(-c2ccco2)o1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000006836812 569150041 /nfs/dbraw/zinc/15/00/41/569150041.db2.gz JJRSIRZMJIYINZ-UHFFFAOYSA-N 0 0 403.769 4.733 50 0 HJAARN COc1cccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccc(F)c(Cl)c2)c1OC ZINC000036364840 569152071 /nfs/dbraw/zinc/15/20/71/569152071.db2.gz JNFOEKBKXQSHHV-ZDUSSCGKSA-N 0 0 401.825 4.806 50 0 HJAARN CCCNC(=O)[C@@H](C)C1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1 ZINC000065005647 569152669 /nfs/dbraw/zinc/15/26/69/569152669.db2.gz NODSUPGYTJNETB-KRWDZBQOSA-N 0 0 419.525 4.509 50 0 HJAARN O=C([C@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2)N1CCCC1 ZINC000036367246 569152893 /nfs/dbraw/zinc/15/28/93/569152893.db2.gz YTQVZVXJVXCBJM-JOCHJYFZSA-N 0 0 406.501 4.895 50 0 HJAARN Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)CN2C(=O)C(C)C ZINC000065020979 569154240 /nfs/dbraw/zinc/15/42/40/569154240.db2.gz XEVZBYGMZUGIGR-UHFFFAOYSA-N 0 0 420.962 4.729 50 0 HJAARN CC(C)C(=O)N1CC(C)(C)c2cc(S(=O)(=O)Nc3ccc(C(C)C)cc3)ccc21 ZINC000065021066 569154292 /nfs/dbraw/zinc/15/42/92/569154292.db2.gz RBUDMRCLHADRHY-UHFFFAOYSA-N 0 0 414.571 4.891 50 0 HJAARN CCOc1ccc(NC(=O)[C@@H]2CCCN(c3ncc(-c4ccc(F)cc4)cn3)C2)cc1 ZINC000065023145 569154725 /nfs/dbraw/zinc/15/47/25/569154725.db2.gz VQSXIKSHIKDNNF-GOSISDBHSA-N 0 0 420.488 4.537 50 0 HJAARN Cc1ccc(NC(=O)[C@@H]2CCCN(c3ncc(-c4ccc(F)cc4)cn3)C2)cc1C ZINC000065023155 569154729 /nfs/dbraw/zinc/15/47/29/569154729.db2.gz LAFJYDFCJKUGEL-LJQANCHMSA-N 0 0 404.489 4.755 50 0 HJAARN CCc1ccc(NC(=O)[C@@H]2CCCN(c3ncc(-c4ccc(C)cc4)cn3)C2)cc1 ZINC000065023292 569154829 /nfs/dbraw/zinc/15/48/29/569154829.db2.gz DQRBILPBHIANND-OAQYLSRUSA-N 0 0 400.526 4.870 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1 ZINC000065023712 569155118 /nfs/dbraw/zinc/15/51/18/569155118.db2.gz NDBQEXYOAVTHMX-KRWDZBQOSA-N 0 0 422.916 4.661 50 0 HJAARN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(c2ncc(-c3ccccc3)cn2)CC1 ZINC000065023908 569155199 /nfs/dbraw/zinc/15/51/99/569155199.db2.gz WGSVEFGEPHCRFS-UHFFFAOYSA-N 0 0 410.880 4.791 50 0 HJAARN Cc1ccc(NC(=O)COc2nc(C)nc3onc(-c4ccccc4)c32)cc1Cl ZINC000065024597 569155390 /nfs/dbraw/zinc/15/53/90/569155390.db2.gz OCDDSRVHRGLYBX-UHFFFAOYSA-N 0 0 408.845 4.573 50 0 HJAARN CCOc1ccc(NC(=O)c2cccc(-c3cnc(N4CCCCC4)nc3)c2)cc1 ZINC000065025730 569156434 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Cc1scc(-c2nnc(SCC(=O)NCc3ccco3)n2C)c1-c1ccccc1 ZINC000013330598 569255111 /nfs/dbraw/zinc/25/51/11/569255111.db2.gz PYILPAIKKJNQPI-UHFFFAOYSA-N 0 0 424.551 4.521 50 0 HJAARN O=C(Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1)Nc1ccc2c(c1)OCO2 ZINC000013609682 569256712 /nfs/dbraw/zinc/25/67/12/569256712.db2.gz FVEVCCJONRLQIU-UHFFFAOYSA-N 0 0 417.469 4.507 50 0 HJAARN O=C(CSc1ccc(Cl)cc1)Nc1nnc(Cc2ccc(Cl)s2)o1 ZINC000013653854 569256824 /nfs/dbraw/zinc/25/68/24/569256824.db2.gz YRHYPIOAMHYTMA-UHFFFAOYSA-N 0 0 400.312 4.760 50 0 HJAARN O=C(Cc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1)NCc1cccs1 ZINC000013716592 569257502 /nfs/dbraw/zinc/25/75/02/569257502.db2.gz SNAWJHDQBALQDP-UHFFFAOYSA-N 0 0 402.878 4.652 50 0 HJAARN Cc1nc(CN2CCN(C(=O)c3oc4c(ccc5ccccc45)c3C)CC2)cs1 ZINC000014380686 569259764 /nfs/dbraw/zinc/25/97/64/569259764.db2.gz MWURNUKEUXHFNT-UHFFFAOYSA-N 0 0 405.523 4.617 50 0 HJAARN O=C(c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1)N1CCc2ccccc2C1 ZINC000014609425 569260645 /nfs/dbraw/zinc/26/06/45/569260645.db2.gz 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ZINC000016840163 569264442 /nfs/dbraw/zinc/26/44/42/569264442.db2.gz OXGWGEXCZFJCHM-UHFFFAOYSA-N 0 0 402.281 4.758 50 0 HJAARN CCCCn1c(=O)c2sccc2nc1SCc1nc(-c2ccc(C)cc2)no1 ZINC000016843273 569264854 /nfs/dbraw/zinc/26/48/54/569264854.db2.gz LZGBCVNPLKWNKR-UHFFFAOYSA-N 0 0 412.540 4.909 50 0 HJAARN O=c1c2sccc2nc(SCc2nc(-c3ccccc3Cl)no2)n1C1CC1 ZINC000016843582 569264883 /nfs/dbraw/zinc/26/48/83/569264883.db2.gz GPBFKAGPBFQQHJ-UHFFFAOYSA-N 0 0 416.915 4.789 50 0 HJAARN O=c1c(Cl)c(N[C@H]2CCSc3c(F)cccc32)cnn1-c1ccc(F)cc1F ZINC000089800208 569266143 /nfs/dbraw/zinc/26/61/43/569266143.db2.gz GMVUAISECXCJAK-AWEZNQCLSA-N 0 0 423.847 4.952 50 0 HJAARN O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000089845851 569267191 /nfs/dbraw/zinc/26/71/91/569267191.db2.gz MWQRVXXOXYDSDR-UHFFFAOYSA-N 0 0 421.928 4.893 50 0 HJAARN CC(=O)N(c1nc(CSc2nnc(NC3CC3)s2)cs1)c1ccccc1 ZINC000007577698 569268220 /nfs/dbraw/zinc/26/82/20/569268220.db2.gz XYMCPZBENZEJBK-UHFFFAOYSA-N 0 0 403.558 4.546 50 0 HJAARN Cc1nc(-c2cccs2)sc1-c1ccc(SCC(=O)N2CCCCC2)nn1 ZINC000016992287 569270580 /nfs/dbraw/zinc/27/05/80/569270580.db2.gz QSNNZYKMPDJWRB-UHFFFAOYSA-N 0 0 416.597 4.742 50 0 HJAARN Cc1ccc(-c2nc3n(c2CNC(=O)c2cccc(C(F)(F)F)c2)CCS3)cc1 ZINC000017051269 569272506 /nfs/dbraw/zinc/27/25/06/569272506.db2.gz FZYFLFDEDGGMSE-UHFFFAOYSA-N 0 0 417.456 4.913 50 0 HJAARN Cc1oc(-c2ccccc2C)nc1Cn1ccn2nc(-c3ccc(C)cc3)cc2c1=O ZINC000017051467 569272521 /nfs/dbraw/zinc/27/25/21/569272521.db2.gz VYQPHGQJEPNLJF-UHFFFAOYSA-N 0 0 410.477 4.792 50 0 HJAARN CCCCCC(=O)N1CCN(c2cc(Oc3ccc(F)c(Cl)c3)ncn2)C[C@H]1C ZINC000037356298 569272769 /nfs/dbraw/zinc/27/27/69/569272769.db2.gz ORZHDIWWXKBANA-OAHLLOKOSA-N 0 0 420.916 4.679 50 0 HJAARN Cc1ccnc(N(C(=O)c2ccnc3ccccc32)C(=O)c2ccnc3ccccc32)c1 ZINC000017091406 569274732 /nfs/dbraw/zinc/27/47/32/569274732.db2.gz LGFYEFIMXVUXBU-UHFFFAOYSA-N 0 0 418.456 4.974 50 0 HJAARN COc1cccc(Nc2ccccc2C(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)c1 ZINC000170633587 569274879 /nfs/dbraw/zinc/27/48/79/569274879.db2.gz HRTDONNFLCKMJE-HSZRJFAPSA-N 0 0 424.447 4.931 50 0 HJAARN CC(C)CNc1nc2nn(-c3cccc(F)c3)c(N)c2c(-c2cccc(Cl)c2)n1 ZINC000037358386 569276793 /nfs/dbraw/zinc/27/67/93/569276793.db2.gz ZNGMANMDHJQEEY-UHFFFAOYSA-N 0 0 410.884 4.925 50 0 HJAARN CC(C)n1c2ccc(C(=O)N(C)[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)cc2nc1C(F)(F)F ZINC000170636607 569279290 /nfs/dbraw/zinc/27/92/90/569279290.db2.gz SJIKECIKEAXFPB-XKQJLSEDSA-N 0 0 409.452 4.522 50 0 HJAARN CCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c12 ZINC000002091593 569280353 /nfs/dbraw/zinc/28/03/53/569280353.db2.gz CUKDKMRDLGAYAT-FQEVSTJZSA-N 0 0 417.502 4.509 50 0 biogenic HJAARN Cc1cc(OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c2c(C)c(C)c(=O)oc2c1 ZINC000002091753 569280474 /nfs/dbraw/zinc/28/04/74/569280474.db2.gz PTWHYUUSDAANAC-INIZCTEOSA-N 0 0 417.502 4.563 50 0 biogenic HJAARN C[C@@H](C(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)n1cccn1 ZINC000027127254 569280873 /nfs/dbraw/zinc/28/08/73/569280873.db2.gz WSSXOHMSRMSWMZ-LBPRGKRZSA-N 0 0 403.269 4.642 50 0 HJAARN Cc1cc(=O)oc2cc(OCCCCOc3ccc4c(C)cc(=O)oc4c3)ccc12 ZINC000002097374 569281053 /nfs/dbraw/zinc/28/10/53/569281053.db2.gz XSFWAVOPRGUHCE-UHFFFAOYSA-N 0 0 406.434 4.754 50 0 biogenic HJAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000001250510 569282384 /nfs/dbraw/zinc/28/23/84/569282384.db2.gz WXDUNGYJXQGYNK-PXDATVDWSA-N 0 0 416.477 4.955 50 0 HJAARN COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2)cc1 ZINC000002105438 569282931 /nfs/dbraw/zinc/28/29/31/569282931.db2.gz YCTBWOYOWHIENS-HSZRJFAPSA-N 0 0 411.457 4.590 50 0 biogenic HJAARN CCCOC(=O)c1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)cc1 ZINC000002114301 569284490 /nfs/dbraw/zinc/28/44/90/569284490.db2.gz VEPNKSSJUQFDGF-UHFFFAOYSA-N 0 0 419.477 4.595 50 0 biogenic HJAARN CCCCCN(Cc1ccc(F)cc1)CN1C(=O)N[C@@]2(C1=O)[C@H](C)CCC[C@@H]2C ZINC000252457382 569286627 /nfs/dbraw/zinc/28/66/27/569286627.db2.gz DNTUVPFPJQMNAZ-CYGODWOOSA-N 0 0 403.542 4.522 50 0 HJAARN CCOC(=O)CCc1c(C)c2ccc(O[C@@H](C)C(=O)c3ccccc3)c(C)c2oc1=O ZINC000002137467 569287404 /nfs/dbraw/zinc/28/74/04/569287404.db2.gz GNIZQQLYHIOWKE-KRWDZBQOSA-N 0 0 422.477 4.556 50 0 biogenic HJAARN COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2)n1-c1ccccc1 ZINC000000906792 569287711 /nfs/dbraw/zinc/28/77/11/569287711.db2.gz AADTWPWZMZZLQE-UHFFFAOYSA-N 0 0 416.506 4.674 50 0 HJAARN Cc1cccc(-c2nc(NCC(C)C)nc3nn(-c4cc(F)ccc4F)c(N)c32)c1 ZINC000037376373 569288045 /nfs/dbraw/zinc/28/80/45/569288045.db2.gz ZONOEIUDCIHXBX-UHFFFAOYSA-N 0 0 408.456 4.719 50 0 HJAARN CC(C)(C)CC(=O)N1CCCN(c2cc(Oc3ccc(F)c(Cl)c3)ncn2)CC1 ZINC000037377618 569288239 /nfs/dbraw/zinc/28/82/39/569288239.db2.gz UTZXHXRWOKZCRH-UHFFFAOYSA-N 0 0 420.916 4.536 50 0 HJAARN O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)Nc1cc(Cl)ccc1Cl ZINC000002544879 569288444 /nfs/dbraw/zinc/28/84/44/569288444.db2.gz LGFBNBKJFPEEFR-UHFFFAOYSA-N 0 0 417.079 4.649 50 0 HJAARN O=C(CSc1nnc(CNc2ccccc2)n1-c1ccccc1)c1ccc(F)cc1 ZINC000002544648 569288450 /nfs/dbraw/zinc/28/84/50/569288450.db2.gz CQAKCWQPDYKLRG-UHFFFAOYSA-N 0 0 418.497 4.994 50 0 HJAARN O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2nc(-c3ccc(Cl)cc3Cl)cs2)C1 ZINC000002146520 569289644 /nfs/dbraw/zinc/28/96/44/569289644.db2.gz GCFVUYPNDBTJHJ-QWHCGFSZSA-N 0 0 418.349 4.902 50 0 biogenic HJAARN COc1ccc(NC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)cc1OC ZINC000002146864 569289753 /nfs/dbraw/zinc/28/97/53/569289753.db2.gz UQMQZTVSDJRSDN-UHFFFAOYSA-N 0 0 421.449 4.745 50 0 biogenic HJAARN CC(C)[C@@H](NC(=O)c1ccc(Br)cc1)c1nc(-c2ccccc2)no1 ZINC000252494023 569290866 /nfs/dbraw/zinc/29/08/66/569290866.db2.gz NIRMGQFFOPCECQ-MRXNPFEDSA-N 0 0 400.276 4.626 50 0 HJAARN COC1CCN(c2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2)CC1 ZINC000252501515 569291096 /nfs/dbraw/zinc/29/10/96/569291096.db2.gz UGVDQOQKFHYQIM-UHFFFAOYSA-N 0 0 400.522 4.821 50 0 HJAARN Clc1cccc(-c2nc3c(c(NCc4nc(-c5ccncc5)no4)n2)CCCC3)c1 ZINC000170658079 569295513 /nfs/dbraw/zinc/29/55/13/569295513.db2.gz HZMWLBSPZWXJST-UHFFFAOYSA-N 0 0 418.888 4.733 50 0 HJAARN Cc1cc(C)cc(N2C[C@H](c3nc(-c4ccc(Br)cc4)no3)CC2=O)c1 ZINC000007615844 569295788 /nfs/dbraw/zinc/29/57/88/569295788.db2.gz YQFMPUKJACBPOK-OAHLLOKOSA-N 0 0 412.287 4.636 50 0 HJAARN CCn1c(SCC(=O)c2cc(C)n(CCc3ccccc3)c2C)nnc1C1CC1 ZINC000007618307 569295917 /nfs/dbraw/zinc/29/59/17/569295917.db2.gz ACOXCECBINNHTN-UHFFFAOYSA-N 0 0 408.571 4.811 50 0 HJAARN CN(Cc1ccccc1)C(=O)Cn1c2ccccc2nc1Cc1cccc(Cl)c1 ZINC000037397101 569296390 /nfs/dbraw/zinc/29/63/90/569296390.db2.gz GUJWZYQTQZBZBD-UHFFFAOYSA-N 0 0 403.913 4.939 50 0 HJAARN Cc1cc2nc(Cc3ccc(Cl)c(Cl)c3)n(CC(=O)NC3CC3)c2cc1C ZINC000037398857 569297275 /nfs/dbraw/zinc/29/72/75/569297275.db2.gz IOEUITZKPOTHGJ-UHFFFAOYSA-N 0 0 402.325 4.829 50 0 HJAARN C[C@H](c1ccccc1)n1c(=O)c2ccccc2nc1SCC(=O)c1ccc(O)cc1 ZINC000007628550 569297704 /nfs/dbraw/zinc/29/77/04/569297704.db2.gz UIUDCILVKAADGW-MRXNPFEDSA-N 0 0 416.502 4.686 50 0 HJAARN COc1ccc(-c2csc(NC(=O)CSCc3nc4ccccc4[nH]3)n2)cc1 ZINC000007641537 569298284 /nfs/dbraw/zinc/29/82/84/569298284.db2.gz SZPBGBSGTYJSSQ-UHFFFAOYSA-N 0 0 410.524 4.567 50 0 HJAARN CCS(=O)(=O)c1ccc2oc(-c3cccc(NC(=O)c4ccccc4F)c3)nc2c1 ZINC000037426123 569298540 /nfs/dbraw/zinc/29/85/40/569298540.db2.gz HWBGLTAITDCJRD-UHFFFAOYSA-N 0 0 424.453 4.680 50 0 HJAARN O=C(N[C@H]1CCCOc2ccc(F)cc21)c1[nH]c2ccccc2c1Br ZINC000065834709 569298633 /nfs/dbraw/zinc/29/86/33/569298633.db2.gz LDJDIZGPYKQKSD-HNNXBMFYSA-N 0 0 403.251 4.713 50 0 HJAARN CC[C@@H](C(=O)N1CCCC1)N(c1nc(C(C)(C)C)cs1)c1ccc(OC)cc1 ZINC000037439363 569299460 /nfs/dbraw/zinc/29/94/60/569299460.db2.gz WTIYYFOWWAOJAY-SFHVURJKSA-N 0 0 401.576 4.988 50 0 HJAARN O=C(c1cccc(F)c1)N(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037440199 569299577 /nfs/dbraw/zinc/29/95/77/569299577.db2.gz USUJQKHZEPJZFT-QFIPXVFZSA-N 0 0 424.422 4.940 50 0 HJAARN O=C(c1ccccc1F)N(Cc1ccccc1F)C[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000037441115 569299584 /nfs/dbraw/zinc/29/95/84/569299584.db2.gz CARQOCJGRCRQQE-LJQANCHMSA-N 0 0 424.422 4.940 50 0 HJAARN O=C(C1CC1)N(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000037440828 569299591 /nfs/dbraw/zinc/29/95/91/569299591.db2.gz SJORFUBWBDOAME-LJQANCHMSA-N 0 0 420.406 4.776 50 0 HJAARN Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)cc1 ZINC000007699708 569301211 /nfs/dbraw/zinc/30/12/11/569301211.db2.gz QUJSCQVIGJITBG-FQEVSTJZSA-N 0 0 403.450 4.664 50 0 HJAARN Cc1c(Cl)cccc1N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@H](C)C1=O ZINC000037519999 569302832 /nfs/dbraw/zinc/30/28/32/569302832.db2.gz QYLLSHCPQWJTDL-CYBMUJFWSA-N 0 0 410.823 4.545 50 0 HJAARN COc1ccccc1CCNC(=O)c1cc2sccc2n1Cc1ccccc1F ZINC000037525460 569304024 /nfs/dbraw/zinc/30/40/24/569304024.db2.gz VWCUCANXLYCINP-UHFFFAOYSA-N 0 0 408.498 4.871 50 0 HJAARN CC(=O)c1cccc(OCC(=O)N(Cc2ccccc2)[C@H](C)Cc2cccs2)c1 ZINC000007735563 569304570 /nfs/dbraw/zinc/30/45/70/569304570.db2.gz NZUOXIRQDSYVTJ-GOSISDBHSA-N 0 0 407.535 4.990 50 0 HJAARN COc1ccc(CN2CCCN(c3ccc(NC(=O)c4cccs4)cc3)C2=O)cc1 ZINC000037544062 569305388 /nfs/dbraw/zinc/30/53/88/569305388.db2.gz MAOFQFSWKLGJEK-UHFFFAOYSA-N 0 0 421.522 4.841 50 0 HJAARN Cc1ccccc1Cn1c(C(=O)NCC2CC2)cc2scc(Br)c21 ZINC000037544413 569305507 /nfs/dbraw/zinc/30/55/07/569305507.db2.gz QJIPVBDCYHLOEC-UHFFFAOYSA-N 0 0 403.345 4.962 50 0 HJAARN COc1ccccc1CCNC(=O)c1cc2sccc2n1Cc1ccccc1OC ZINC000037541867 569305609 /nfs/dbraw/zinc/30/56/09/569305609.db2.gz LKHZRTFCTQMTEH-UHFFFAOYSA-N 0 0 420.534 4.741 50 0 HJAARN CCN(C)C(=O)CCc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1OC ZINC000037547155 569305670 /nfs/dbraw/zinc/30/56/70/569305670.db2.gz CKFRKPHQTVMZCH-UHFFFAOYSA-N 0 0 411.477 4.532 50 0 HJAARN CC(C)NC(=O)N1C[C@H](C(=O)N[C@@H](C)c2ccccc2)CC[C@@H]1c1ccc(F)cc1 ZINC000037546583 569305944 /nfs/dbraw/zinc/30/59/44/569305944.db2.gz CGZDEFPKTKSFTL-UCNVEGJOSA-N 0 0 411.521 4.574 50 0 HJAARN CCC(=O)N(Cc1ccc(F)cc1)c1ccc(CC(=O)NCCc2ccccc2)cc1 ZINC000037556432 569306346 /nfs/dbraw/zinc/30/63/46/569306346.db2.gz KWFTVHVIGZXMKC-UHFFFAOYSA-N 0 0 418.512 4.670 50 0 HJAARN CCC(=O)Nc1ccc(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1 ZINC000007763593 569307719 /nfs/dbraw/zinc/30/77/19/569307719.db2.gz VKUNGTHPGQBOSA-UHFFFAOYSA-N 0 0 412.540 4.665 50 0 HJAARN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cccc(OC(C)C)c2)c1 ZINC000002212990 569307864 /nfs/dbraw/zinc/30/78/64/569307864.db2.gz DVJCDMMXNPSNAV-UHFFFAOYSA-N 0 0 419.934 4.603 50 0 HJAARN C[C@@H]1c2[nH]c3ccccc3c2CCN1S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000066001206 569308449 /nfs/dbraw/zinc/30/84/49/569308449.db2.gz HQRDCYHBKLRWLQ-LLVKDONJSA-N 0 0 412.408 4.634 50 0 HJAARN COc1ccc(OCCCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 ZINC000007778921 569308992 /nfs/dbraw/zinc/30/89/92/569308992.db2.gz GRPDWFNGPDPDCU-UHFFFAOYSA-N 0 0 404.438 4.895 50 0 HJAARN Cc1ccc(Sc2ncccc2C(=O)Nc2ccnn2Cc2ccco2)c(C)c1 ZINC000007779061 569309000 /nfs/dbraw/zinc/30/90/00/569309000.db2.gz WRIIEUXINJZVOL-UHFFFAOYSA-N 0 0 404.495 4.940 50 0 HJAARN CCNC(=O)Cc1cccc(N(Cc2ccc(C)cc2)C(=O)/C=C/c2ccccc2)c1 ZINC000037600749 569309056 /nfs/dbraw/zinc/30/90/56/569309056.db2.gz AORUMLJXZDAKFP-WUKNDPDISA-N 0 0 412.533 4.920 50 0 HJAARN CC[C@@H](C)c1ccccc1NC(=O)COc1ncnc2ccc(Br)cc21 ZINC000007779896 569309400 /nfs/dbraw/zinc/30/94/00/569309400.db2.gz MBZAOMAEAWKTGK-CYBMUJFWSA-N 0 0 414.303 4.923 50 0 HJAARN CN(C)C(=O)[C@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)c1ccccc1 ZINC000007791071 569310988 /nfs/dbraw/zinc/31/09/88/569310988.db2.gz OHEDHJOTNFEWKV-HXUWFJFHSA-N 0 0 417.538 4.683 50 0 HJAARN COc1ccc(C(C)(C)C)cc1NC(=O)CCCNc1nc(C)c(C(C)=O)s1 ZINC000007813323 569312327 /nfs/dbraw/zinc/31/23/27/569312327.db2.gz KIIWRPKMXLJNOO-UHFFFAOYSA-N 0 0 403.548 4.791 50 0 HJAARN CC(C)[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccc2c(c1)OCCCO2 ZINC000007814406 569312565 /nfs/dbraw/zinc/31/25/65/569312565.db2.gz HMZLRYQVDCHOTL-VFNWGFHPSA-N 0 0 403.906 4.782 50 0 HJAARN COc1ccc(-c2cc(C(=O)OCc3cc(C)on3)c3ccccc3n2)cc1OC ZINC000007818661 569312831 /nfs/dbraw/zinc/31/28/31/569312831.db2.gz AGKVSOZONYGPPE-UHFFFAOYSA-N 0 0 404.422 4.572 50 0 HJAARN C[C@H](NC(=O)CSc1nnc(-c2ccccc2F)o1)c1ccc2c(c1)CCCC2 ZINC000007830594 569313511 /nfs/dbraw/zinc/31/35/11/569313511.db2.gz JYXWPNOWRYOQRR-AWEZNQCLSA-N 0 0 411.502 4.724 50 0 HJAARN C[C@H]1c2ccsc2CCN1C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000007829605 569313556 /nfs/dbraw/zinc/31/35/56/569313556.db2.gz FFTLDTBTUYGZSG-INIZCTEOSA-N 0 0 400.507 4.755 50 0 HJAARN O=C(Nc1ccc(N2CCOCC2)cc1)[C@H](Sc1ccccc1)c1ccccc1 ZINC000007842688 569314058 /nfs/dbraw/zinc/31/40/58/569314058.db2.gz HLEHAWWINDQORD-HSZRJFAPSA-N 0 0 404.535 4.995 50 0 HJAARN CC(C)(C)n1ncc2c1N=C1NC(=O)N(c3ccccc3)[C@@H]1[C@H]2c1ccc(F)cc1 ZINC000066091488 569314552 /nfs/dbraw/zinc/31/45/52/569314552.db2.gz QRFAKHADZYSJMT-RBUKOAKNSA-N 0 0 403.461 4.551 50 0 HJAARN COc1cccc(NC(=O)[C@@H](Sc2nnc(C3CC3)n2C2CC2)c2ccccc2)c1 ZINC000007851794 569314609 /nfs/dbraw/zinc/31/46/09/569314609.db2.gz IMDMZUAWKXXMTN-FQEVSTJZSA-N 0 0 420.538 4.971 50 0 HJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1[C@H]1Nc2ccccc2C(=O)N1C1CC1 ZINC000007886356 569315283 /nfs/dbraw/zinc/31/52/83/569315283.db2.gz DCSTUBAYPLYMTE-QFIPXVFZSA-N 0 0 406.917 4.931 50 0 HJAARN COc1ccc(-c2noc(COc3ccccc3C(=O)Nc3ccccc3)n2)cc1 ZINC000007896194 569318960 /nfs/dbraw/zinc/31/89/60/569318960.db2.gz DWKJHLCUKFLYEH-UHFFFAOYSA-N 0 0 401.422 4.577 50 0 HJAARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)c5c(C)nn(C(C)=O)c5C[C@@H]4[C@@H]3CC[C@H]2C1 ZINC000252693503 569320058 /nfs/dbraw/zinc/32/00/58/569320058.db2.gz DLCTVKXJNPOKCT-DTBQZZNTSA-N 0 0 412.574 4.840 50 0 biogenic HJAARN Cc1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)c1 ZINC000007914377 569321650 /nfs/dbraw/zinc/32/16/50/569321650.db2.gz KUTSTZBFVVRLAH-FQEVSTJZSA-N 0 0 403.507 4.518 50 0 HJAARN Cc1cc(C)c2oc(C(=O)Nc3nnc(SCc4ccccc4)s3)cc(=O)c2c1 ZINC000002237174 569322045 /nfs/dbraw/zinc/32/20/45/569322045.db2.gz QMCHHAOLVUFBLF-UHFFFAOYSA-N 0 0 423.519 4.806 50 0 HJAARN CCOc1ccc([C@H]2Oc3ccccc3C3=Nc4ncnn4[C@H](c4ccccc4)C32)cc1 ZINC000002267690 569325969 /nfs/dbraw/zinc/32/59/69/569325969.db2.gz COKQPBUCEUGRFT-JWQCQUIFSA-N 0 0 422.488 4.890 50 0 HJAARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H](C)SC2=N1 ZINC000002256385 569326300 /nfs/dbraw/zinc/32/63/00/569326300.db2.gz WVKQZNGKFUZXKK-ZUZCIYMTSA-N 0 0 413.326 4.594 50 0 HJAARN COc1ccc(-c2nc(NC(=O)c3cccc(N4CCCC4=O)c3)sc2C)cc1 ZINC000007921640 569327123 /nfs/dbraw/zinc/32/71/23/569327123.db2.gz OBSJEULPILUQRM-UHFFFAOYSA-N 0 0 407.495 4.506 50 0 HJAARN O=c1c2ccccc2nc(CCc2ccccc2)n1-c1ccc(Br)cc1 ZINC000019926803 569357554 /nfs/dbraw/zinc/35/75/54/569357554.db2.gz PEOYQKRQMIJPQH-UHFFFAOYSA-N 0 0 405.295 4.933 50 0 HJAARN CCOC(=O)c1cccc(Nc2c(-c3ccc(O)c(OC)c3)nc3ccc(C)cn32)c1 ZINC000035616470 569357985 /nfs/dbraw/zinc/35/79/85/569357985.db2.gz JQCZYLPBIRIIEO-UHFFFAOYSA-N 0 0 417.465 4.944 50 0 HJAARN c1ccc2sc(C3CCN(c4nnc(C5CC5)n4C[C@@H]4CCCCO4)CC3)nc2c1 ZINC000253400975 569365610 /nfs/dbraw/zinc/36/56/10/569365610.db2.gz KPMZBQZDOATHEG-SFHVURJKSA-N 0 0 423.586 4.718 50 0 HJAARN Cc1ccccc1OCCOCCOc1cccc(C=C2SC(=S)NC2=O)c1 ZINC000027531600 569366841 /nfs/dbraw/zinc/36/68/41/569366841.db2.gz VBPYABQXSGPACE-XMHGGMMESA-N 0 0 415.536 4.799 50 0 HJAARN CC(C)C[C@@H](C(=O)N[C@H]1CCCc2c3ccccc3[nH]c21)N1Cc2ccccc2C1=O ZINC000253413733 569366890 /nfs/dbraw/zinc/36/68/90/569366890.db2.gz VOBXEVRFEYQYIP-GOTSBHOMSA-N 0 0 415.537 4.732 50 0 biogenic HJAARN Cc1cccc(OCCOCCOc2ccccc2C=C2SC(=S)NC2=O)c1 ZINC000027531597 569366921 /nfs/dbraw/zinc/36/69/21/569366921.db2.gz WUXNQIUOGSAYOR-RGEXLXHISA-N 0 0 415.536 4.799 50 0 HJAARN Cc1ccc(-n2c(N)c(C(=O)Nc3cccc(F)c3)c3nc4ccccc4nc32)cc1 ZINC000002291111 569368989 /nfs/dbraw/zinc/36/89/89/569368989.db2.gz QYFFFWNDSFBSFX-UHFFFAOYSA-N 0 0 411.440 4.856 50 0 HJAARN CCn1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)c2ccccc21 ZINC000027552218 569372775 /nfs/dbraw/zinc/37/27/75/569372775.db2.gz JMBLUNQJQDTXLX-WOJGMQOQSA-N 0 0 424.298 4.517 50 0 HJAARN O=C(CCCc1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)C(F)(F)F ZINC000027570390 569374123 /nfs/dbraw/zinc/37/41/23/569374123.db2.gz ZQUVQZWXJTZCJI-IBGZPJMESA-N 0 0 410.823 4.550 50 0 HJAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccccc1)N(CCCOC(C)C)C3=O ZINC000002329052 569375608 /nfs/dbraw/zinc/37/56/08/569375608.db2.gz RKVJSYPTADMRQT-QFIPXVFZSA-N 0 0 405.494 4.770 50 0 HJAARN Cc1nc2sc3c(c2c2nc(-c4ccc(OC(C)C)cc4)nn21)CC(C)(C)OC3 ZINC000002334685 569375863 /nfs/dbraw/zinc/37/58/63/569375863.db2.gz UJKPDRRFUBMHSO-UHFFFAOYSA-N 0 0 408.527 4.953 50 0 HJAARN O=C(NC[C@](O)(c1ccoc1)c1cccs1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000253472916 569381357 /nfs/dbraw/zinc/38/13/57/569381357.db2.gz QPVNVOYLLMQRQF-QFIPXVFZSA-N 0 0 415.942 4.859 50 0 HJAARN CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(Cl)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253499888 569382157 /nfs/dbraw/zinc/38/21/57/569382157.db2.gz QQEHDZXXCDSAFE-HAQXLAQNSA-N 0 0 406.950 4.544 50 0 biogenic HJAARN Cn1c2cn(-c3ccccc3Cl)c(-c3ccc(C(C)(C)C)cc3)c2c(=O)n(C)c1=O ZINC000002368385 569388453 /nfs/dbraw/zinc/38/84/53/569388453.db2.gz GPFJHELOOHWHSG-UHFFFAOYSA-N 0 0 421.928 4.646 50 0 HJAARN CC[C@@H](C)COC(=O)c1c(N)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc12 ZINC000002394104 569394153 /nfs/dbraw/zinc/39/41/53/569394153.db2.gz JIKVYQSEVPLFKT-CQSZACIVSA-N 0 0 402.498 4.976 50 0 HJAARN Cc1ccc(-n2cc3c(c2-c2ccc(C(C)(C)C)cc2)c(=O)n(C)c(=O)n3C)c(C)c1 ZINC000002402298 569395623 /nfs/dbraw/zinc/39/56/23/569395623.db2.gz NMYZNYQIPJJGQO-UHFFFAOYSA-N 0 0 415.537 4.609 50 0 HJAARN CC(C)(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000002414549 569397171 /nfs/dbraw/zinc/39/71/71/569397171.db2.gz QZFHWIGNZAQFCY-XMSQKQJNSA-N 0 0 417.505 4.815 50 0 HJAARN COc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)c1 ZINC000002418196 569397501 /nfs/dbraw/zinc/39/75/01/569397501.db2.gz CQXYVHFEXFVALV-IBGZPJMESA-N 0 0 418.474 4.625 50 0 HJAARN CCCOC(=O)c1c(N)n(-c2cccc(C(F)(F)F)c2)c2nc3ccccc3nc21 ZINC000002417887 569397532 /nfs/dbraw/zinc/39/75/32/569397532.db2.gz AROHFFAQLRJADG-UHFFFAOYSA-N 0 0 414.387 4.742 50 0 HJAARN CC(C)c1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000002421074 569398095 /nfs/dbraw/zinc/39/80/95/569398095.db2.gz KIWVVNZGWKXGME-XMSQKQJNSA-N 0 0 421.468 4.780 50 0 HJAARN COc1ccc(-c2c(=O)c3ccc(OC(=O)N(C)C)cc3oc2C(F)(F)F)cc1 ZINC000002425866 569398488 /nfs/dbraw/zinc/39/84/88/569398488.db2.gz HDPNTMRHSSGSLU-UHFFFAOYSA-N 0 0 407.344 4.548 50 0 HJAARN CC(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000002431759 569399183 /nfs/dbraw/zinc/39/91/83/569399183.db2.gz GZUCGLBYQLLTOL-XMSQKQJNSA-N 0 0 403.478 4.641 50 0 HJAARN CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2nc3ccccc3nc21 ZINC000002434735 569399535 /nfs/dbraw/zinc/39/95/35/569399535.db2.gz DURJHHZBLYKNTD-UHFFFAOYSA-N 0 0 406.486 4.863 50 0 HJAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1 ZINC000002449583 569402425 /nfs/dbraw/zinc/40/24/25/569402425.db2.gz HLYCIMMURFRJJU-UHFFFAOYSA-N 0 0 418.522 4.934 50 0 HJAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)/C=C/c2ccc(Br)cc2)c1 ZINC000012761040 569403213 /nfs/dbraw/zinc/40/32/13/569403213.db2.gz ZPWRWNVCWSOMHR-UBIUBJKMSA-N 0 0 416.315 4.843 50 0 HJAARN Cc1ccc(-c2csc3ncn(CCC(=O)Nc4ccccc4)c(=O)c23)cc1C ZINC000012862900 569404152 /nfs/dbraw/zinc/40/41/52/569404152.db2.gz KHZRHTSTIKUJCI-UHFFFAOYSA-N 0 0 403.507 4.771 50 0 HJAARN Cc1oc2cc3oc(=O)c(CC(=O)N[C@@H](C)CCc4ccco4)c(C)c3cc2c1C ZINC000012896707 569404804 /nfs/dbraw/zinc/40/48/04/569404804.db2.gz FAIAAQUVIRLSKU-ZDUSSCGKSA-N 0 0 407.466 4.737 50 0 biogenic HJAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccccc3)C2)c2ccccc12 ZINC000013002120 569406398 /nfs/dbraw/zinc/40/63/98/569406398.db2.gz VBJOBLZBBIOIAD-UYAOXDASSA-N 0 0 416.521 4.578 50 0 HJAARN COc1cc(CSc2nc(CC(=O)Nc3ccccc3C)cs2)cc(OC)c1 ZINC000013010323 569407257 /nfs/dbraw/zinc/40/72/57/569407257.db2.gz XRGUVWUAJBAPKA-UHFFFAOYSA-N 0 0 414.552 4.942 50 0 HJAARN Cc1ccc(NC(=O)CSc2ccccc2C(=O)OCCOc2ccccc2)cc1 ZINC000013055927 569408116 /nfs/dbraw/zinc/40/81/16/569408116.db2.gz BTYRHVWEMPRSHK-UHFFFAOYSA-N 0 0 421.518 4.962 50 0 HJAARN CC[C@@H](C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Cc1c(Cl)cccc1Cl ZINC000013096280 569408891 /nfs/dbraw/zinc/40/88/91/569408891.db2.gz RLRDNWIIOMWTAS-CYBMUJFWSA-N 0 0 418.324 4.600 50 0 HJAARN Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2Br)c(C)c1 ZINC000013138102 569409856 /nfs/dbraw/zinc/40/98/56/569409856.db2.gz XEHWXPAXHDCYCP-UHFFFAOYSA-N 0 0 419.138 4.629 50 0 HJAARN O=C(Cc1ccccc1Cl)Nc1cccc(NC(=O)Cc2ccccc2Cl)n1 ZINC000013161632 569410193 /nfs/dbraw/zinc/41/01/93/569410193.db2.gz CQWXOMRABVHMCR-UHFFFAOYSA-N 0 0 414.292 4.751 50 0 HJAARN CCN1CCN(c2nn3c(nc(-c4ccc(C)cc4)c3NC3CCCCC3)s2)CC1 ZINC000013347065 569410761 /nfs/dbraw/zinc/41/07/61/569410761.db2.gz CCXCLAHSNAJNQA-UHFFFAOYSA-N 0 0 424.618 4.653 50 0 HJAARN Cc1cc(C)cc(NC(=O)Nc2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)c1 ZINC000013359712 569411716 /nfs/dbraw/zinc/41/17/16/569411716.db2.gz SYMANHYAPJOEPS-UHFFFAOYSA-N 0 0 421.522 4.699 50 0 HJAARN Cc1ccccc1CC(=O)Nc1ccc(SCc2nc3ccccc3[nH]c2=O)cc1 ZINC000013361097 569411899 /nfs/dbraw/zinc/41/18/99/569411899.db2.gz KKRUNCSLFJINMV-UHFFFAOYSA-N 0 0 415.518 4.705 50 0 HJAARN C[C@H]1C[C@H](C(N)=O)c2ccccc2N1S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000328593261 569415522 /nfs/dbraw/zinc/41/55/22/569415522.db2.gz UFEHLSQUEYDGHZ-NHYWBVRUSA-N 0 0 413.326 4.741 50 0 HJAARN Cc1ccc(N2C(=O)CC[C@H](c3nc([C@@H]4CCOC4)no3)[C@@H]2c2cccs2)cc1 ZINC000328594569 569415937 /nfs/dbraw/zinc/41/59/37/569415937.db2.gz VBQDHUWVVSGAQD-OXFYSEKESA-N 0 0 409.511 4.595 50 0 HJAARN CCCCC12CN3CC(C)(CN(C1)C3c1ccc(OCc3ccccc3)cc1)C2=O ZINC000019329881 569419896 /nfs/dbraw/zinc/41/98/96/569419896.db2.gz ZPSYAWLRIPJESB-UHFFFAOYSA-N 0 0 404.554 4.661 50 0 HJAARN O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000007960654 569420065 /nfs/dbraw/zinc/42/00/65/569420065.db2.gz GRMLXSFHIKLQHA-QGZVFWFLSA-N 0 0 422.916 4.515 50 0 HJAARN CN(C(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O)c1ccc(Oc2ccccc2)cc1 ZINC000078883538 569421448 /nfs/dbraw/zinc/42/14/48/569421448.db2.gz VMICYZRXBOWZSZ-UHFFFAOYSA-N 0 0 416.477 4.599 50 0 HJAARN C[C@H]1CN(c2ccc(CNc3nc4cc(C(F)(F)F)ccc4s3)cn2)C[C@H](C)O1 ZINC000078904413 569421618 /nfs/dbraw/zinc/42/16/18/569421618.db2.gz ADTQSGNYHWPWKI-STQMWFEESA-N 0 0 422.476 4.936 50 0 HJAARN C[C@@H]1CN(c2ccc(CNc3nc4cc(C(F)(F)F)ccc4s3)cn2)C[C@@H](C)O1 ZINC000078904417 569421709 /nfs/dbraw/zinc/42/17/09/569421709.db2.gz ADTQSGNYHWPWKI-CHWSQXEVSA-N 0 0 422.476 4.936 50 0 HJAARN C[C@H](NC(=O)c1ccccc1NCc1cccnc1)c1cccc(Br)c1 ZINC000078995468 569423074 /nfs/dbraw/zinc/42/30/74/569423074.db2.gz XCJPBZHDFTXTCV-HNNXBMFYSA-N 0 0 410.315 4.947 50 0 HJAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CNC(=O)c1ccccc1Cl ZINC000019603962 569425017 /nfs/dbraw/zinc/42/50/17/569425017.db2.gz GSFLRMNVGDKJAD-UHFFFAOYSA-N 0 0 417.292 4.642 50 0 HJAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(C(C)C)nn1-c1ccccc1)CC3 ZINC000079193481 569429425 /nfs/dbraw/zinc/42/94/25/569429425.db2.gz UIUCUNKFLWTKHD-UHFFFAOYSA-N 0 0 414.509 4.684 50 0 biogenic HJAARN Cc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000019796606 569430247 /nfs/dbraw/zinc/43/02/47/569430247.db2.gz MIQQJRCODREQTN-SNVBAGLBSA-N 0 0 413.886 4.744 50 0 HJAARN O=C(C[C@@H]1OCCc2ccccc21)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000079356481 569430559 /nfs/dbraw/zinc/43/05/59/569430559.db2.gz UHYIAPSOBUWLHV-IBGZPJMESA-N 0 0 401.388 4.534 50 0 HJAARN CCCN1C(=O)COc2ccc(-c3csc(NC(=O)c4ccc(C)cc4)n3)cc21 ZINC000019820282 569430789 /nfs/dbraw/zinc/43/07/89/569430789.db2.gz RWLYNVYZLMWMHF-UHFFFAOYSA-N 0 0 407.495 4.506 50 0 HJAARN Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccccc2F)N2CCOCC2)c1C ZINC000019879507 569432952 /nfs/dbraw/zinc/43/29/52/569432952.db2.gz LZWMNJOGKGXSIA-HXUWFJFHSA-N 0 0 414.502 4.771 50 0 HJAARN CCCCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000067238369 571051176 /nfs/dbraw/zinc/05/11/76/571051176.db2.gz LSMWAZFLDQXUMF-UHFFFAOYSA-N 0 0 412.559 4.687 50 0 HJAARN CCCCn1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1cccc(C(C)C)c1 ZINC000067238546 571051231 /nfs/dbraw/zinc/05/12/31/571051231.db2.gz VPLGIAPWPTWZAQ-UHFFFAOYSA-N 0 0 412.559 4.687 50 0 HJAARN CC[C@@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000067238698 571051234 /nfs/dbraw/zinc/05/12/34/571051234.db2.gz MGPUZLSMDVLPDO-CYBMUJFWSA-N 0 0 418.950 4.697 50 0 HJAARN CC[C@@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1cccc(C(C)C)c1 ZINC000067239144 571051481 /nfs/dbraw/zinc/05/14/81/571051481.db2.gz HKKICPPSQWKTOE-OAHLLOKOSA-N 0 0 412.559 4.858 50 0 HJAARN CC[C@@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccc(Cl)cc1F ZINC000067238926 571051554 /nfs/dbraw/zinc/05/15/54/571051554.db2.gz GBDRVTUWXHOUKW-LLVKDONJSA-N 0 0 422.913 4.527 50 0 HJAARN COc1cc(OC)cc(-n2c(=O)c3ccccc3nc2SCc2ccccc2)c1 ZINC000067258607 571057522 /nfs/dbraw/zinc/05/75/22/571057522.db2.gz INYGYKAJFLJGSA-UHFFFAOYSA-N 0 0 404.491 4.695 50 0 HJAARN COc1cc(OC)cc(-n2c(=O)c3ccccc3nc2SCc2ccc(F)cc2)c1 ZINC000067258639 571057952 /nfs/dbraw/zinc/05/79/52/571057952.db2.gz RVSFACLRUWRVBL-UHFFFAOYSA-N 0 0 422.481 4.834 50 0 HJAARN Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc3c(c2)OCO3)cc1 ZINC000067259389 571058444 /nfs/dbraw/zinc/05/84/44/571058444.db2.gz GKJSYMRTCWFONH-UHFFFAOYSA-N 0 0 416.502 4.774 50 0 HJAARN CC(C)OCCCn1c(=O)c2ccccc2nc1SCc1cc(F)ccc1F ZINC000067259132 571058448 /nfs/dbraw/zinc/05/84/48/571058448.db2.gz WCFHQVXYCPWCBD-UHFFFAOYSA-N 0 0 404.482 4.782 50 0 HJAARN Cc1noc(C)c1CSc1nc2ccsc2c(=O)n1Cc1ccccc1F ZINC000067259909 571058815 /nfs/dbraw/zinc/05/88/15/571058815.db2.gz MRVASJWKOVEWRV-UHFFFAOYSA-N 0 0 401.488 4.543 50 0 HJAARN Cc1ccc(C)c(Cn2nc3c4cc(-c5ccc(C(C)C)cc5)nn4ccn3c2=O)c1 ZINC000067260558 571059564 /nfs/dbraw/zinc/05/95/64/571059564.db2.gz QHUHGTFAMNHERO-UHFFFAOYSA-N 0 0 411.509 4.599 50 0 HJAARN O=C(NCc1ccc(Cl)cc1)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1 ZINC000067261707 571060134 /nfs/dbraw/zinc/06/01/34/571060134.db2.gz RIORLDBPDNSFRC-UHFFFAOYSA-N 0 0 424.291 4.566 50 0 HJAARN Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccccc2Cl)nc1 ZINC000067294333 571069894 /nfs/dbraw/zinc/06/98/94/571069894.db2.gz WCLHTVBKEYNHCN-LVWGJNHUSA-N 0 0 405.841 4.980 50 0 HJAARN COc1cc(/N=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)n2)cc(OC)c1 ZINC000067296711 571071171 /nfs/dbraw/zinc/07/11/71/571071171.db2.gz IWLZMDYLYMFXLL-LCUIJRPUSA-N 0 0 415.449 4.638 50 0 HJAARN O=C(Nc1nccs1)c1cc2ccc(O)cc2o/c1=N\c1ccc(F)c(Cl)c1 ZINC000067298141 571072195 /nfs/dbraw/zinc/07/21/95/571072195.db2.gz OQKWBUZFINFFPI-NKFKGCMQSA-N 0 0 415.833 4.872 50 0 HJAARN COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3cc(C)cc(C)c3)oc21 ZINC000067298913 571072981 /nfs/dbraw/zinc/07/29/81/571072981.db2.gz GOSFGNDJMPIEDM-LCUIJRPUSA-N 0 0 402.450 4.814 50 0 HJAARN COc1ccc(-c2noc(CN(C(=O)c3ccc(OC(C)C)cc3)C(C)C)n2)cc1 ZINC000008570362 571082330 /nfs/dbraw/zinc/08/23/30/571082330.db2.gz QXUGUMBQSCUVNS-UHFFFAOYSA-N 0 0 409.486 4.583 50 0 HJAARN CCc1ccc(OCCSc2nc3ccccc3n2CC(=O)N2CCCCC2)cc1 ZINC000008586896 571083590 /nfs/dbraw/zinc/08/35/90/571083590.db2.gz GRBGXWROSPOXKD-UHFFFAOYSA-N 0 0 423.582 4.782 50 0 HJAARN CCc1ccc(NC(=O)[C@H](CC)n2c3ccccc3nc(C(F)(F)F)c2=O)cc1 ZINC000008599723 571089444 /nfs/dbraw/zinc/08/94/44/571089444.db2.gz JVEJPQFRCKSWJU-INIZCTEOSA-N 0 0 403.404 4.568 50 0 HJAARN CCOc1ccc(CCNC(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)cc1 ZINC000008603744 571091246 /nfs/dbraw/zinc/09/12/46/571091246.db2.gz ZDCBUMUYKBZQDN-UHFFFAOYSA-N 0 0 423.513 4.812 50 0 HJAARN Cc1nc2cccnc2n1C1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000008608428 571093410 /nfs/dbraw/zinc/09/34/10/571093410.db2.gz BGKDBNHSGZVIEY-UHFFFAOYSA-N 0 0 403.408 4.628 50 0 HJAARN COc1ccc(-c2nsc(NC(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)n2)cc1 ZINC000008613996 571095380 /nfs/dbraw/zinc/09/53/80/571095380.db2.gz ZONAEKBEQSPYLR-LBPRGKRZSA-N 0 0 403.891 4.582 50 0 HJAARN CSc1ccc(Nc2nn(-c3ccc(OC(F)(F)F)cc3)nc2C(C)=O)cc1 ZINC000008613004 571095396 /nfs/dbraw/zinc/09/53/96/571095396.db2.gz QEAHVDSIALLGNX-UHFFFAOYSA-N 0 0 408.405 4.834 50 0 aggregator HJAARN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccccc1)N(Cc1cccnc1)C3=O ZINC000008664911 571099694 /nfs/dbraw/zinc/09/96/94/571099694.db2.gz NOGQSNJMKDIVJP-OAQYLSRUSA-N 0 0 416.864 4.895 50 0 HJAARN Cc1c(-c2nsc(NC(=O)c3ccccc3C)n2)nnn1-c1ccc(C)c(Cl)c1 ZINC000008673346 571100695 /nfs/dbraw/zinc/10/06/95/571100695.db2.gz GLIRFCBTWLEZON-UHFFFAOYSA-N 0 0 424.917 4.617 50 0 HJAARN Cc1cccc(C(=O)Nc2ccc3nc(SCC(=O)N4CCCC4)sc3c2)c1 ZINC000008673945 571101041 /nfs/dbraw/zinc/10/10/41/571101041.db2.gz BAFZLBUTYSZQCQ-UHFFFAOYSA-N 0 0 411.552 4.572 50 0 HJAARN O=C(Nc1cccc(N2CCCC2=O)c1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000008706956 571103861 /nfs/dbraw/zinc/10/38/61/571103861.db2.gz ZNDNIKLHUKYYSM-UHFFFAOYSA-N 0 0 408.461 4.676 50 0 HJAARN C[C@@H](NC(=O)CNc1ccccc1C(=O)NCc1ccccc1)c1ccc(Cl)cc1 ZINC000008707389 571103891 /nfs/dbraw/zinc/10/38/91/571103891.db2.gz MJJVHOABGFGGHI-QGZVFWFLSA-N 0 0 421.928 4.559 50 0 HJAARN C[C@@H](C(=O)Nc1cccc2ccccc21)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000008709598 571104831 /nfs/dbraw/zinc/10/48/31/571104831.db2.gz AIWFZJWTBLAVSI-HTAPYJJXSA-N 0 0 402.494 4.775 50 0 HJAARN Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N[C@@H]1CCSc2ccccc21 ZINC000008718398 571105846 /nfs/dbraw/zinc/10/58/46/571105846.db2.gz BBYNONQXHXENAY-HXUWFJFHSA-N 0 0 408.571 4.915 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nccn1-c1cccc(F)c1 ZINC000008724996 571107961 /nfs/dbraw/zinc/10/79/61/571107961.db2.gz JOUIVAQOOCIYGP-UHFFFAOYSA-N 0 0 421.501 4.545 50 0 HJAARN C[C@H](CCc1ccco1)NC(=O)COc1ccc2c(c1)occ(-c1ccccc1)c2=O ZINC000008765412 571115337 /nfs/dbraw/zinc/11/53/37/571115337.db2.gz GNYVGLVKFSJOHX-QGZVFWFLSA-N 0 0 417.461 4.569 50 0 biogenic HJAARN O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000008773117 571117644 /nfs/dbraw/zinc/11/76/44/571117644.db2.gz SLXFWGSQZDLIMD-HNNXBMFYSA-N 0 0 423.357 4.585 50 0 HJAARN Cc1cc(-c2csc(Nc3cccc(C)c3)n2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000008780106 571118896 /nfs/dbraw/zinc/11/88/96/571118896.db2.gz XPNKZMUPZYPNCV-QGZVFWFLSA-N 0 0 401.557 4.640 50 0 HJAARN O=C(Cn1c(=O)cnc2ccccc21)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000008825010 571121912 /nfs/dbraw/zinc/12/19/12/571121912.db2.gz SFPNZLJKDZQDJU-UHFFFAOYSA-N 0 0 421.909 4.840 50 0 HJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2F)N1c1nccs1 ZINC000008827461 571122176 /nfs/dbraw/zinc/12/21/76/571122176.db2.gz XYYZBQRCYFJMPW-INIZCTEOSA-N 0 0 412.829 4.792 50 0 HJAARN Cc1ccc(NC(=O)CSc2nc(CC(=O)Nc3cccc(C)c3)cs2)cc1 ZINC000008852861 571127431 /nfs/dbraw/zinc/12/74/31/571127431.db2.gz NUXDKLVOVXXEKR-UHFFFAOYSA-N 0 0 411.552 4.672 50 0 HJAARN COc1ccc(CCNc2nc(Cl)nc(Nc3ccc(Cl)cc3)n2)cc1OC ZINC000008872598 571130528 /nfs/dbraw/zinc/13/05/28/571130528.db2.gz SGWIZPBRWHFPQU-UHFFFAOYSA-N 0 0 420.300 4.594 50 0 HJAARN Cc1ccc(S(=O)(=O)c2nc(-c3cccc(C)c3)oc2NCc2cccnc2)cc1 ZINC000039844358 571134687 /nfs/dbraw/zinc/13/46/87/571134687.db2.gz WAJIDBMLQOYSBE-UHFFFAOYSA-N 0 0 419.506 4.798 50 0 HJAARN COc1ccc(Cc2nnc(S[C@@H](C)c3nnc(-c4ccc(C)cc4)o3)o2)cc1 ZINC000039982372 571136194 /nfs/dbraw/zinc/13/61/94/571136194.db2.gz AXXLMXHGVKUJHE-AWEZNQCLSA-N 0 0 408.483 4.881 50 0 HJAARN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@@]12CCC(=O)N1c1ccccc1S2 ZINC000040018319 571139133 /nfs/dbraw/zinc/13/91/33/571139133.db2.gz ZTWZCLISFCZDKV-QHCPKHFHSA-N 0 0 422.506 4.686 50 0 HJAARN CCn1c(Sc2nc(C)nc3sc4c(c32)CCC4)nnc1-c1ccccc1OC ZINC000040020252 571139426 /nfs/dbraw/zinc/13/94/26/571139426.db2.gz GTGYKNWJMCQFKA-UHFFFAOYSA-N 0 0 423.567 4.927 50 0 HJAARN CC(C)N(C(=O)CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@H]1C)C(C)C ZINC000008886398 571141394 /nfs/dbraw/zinc/14/13/94/571141394.db2.gz UVOJUOHHMMACGD-IEBWSBKVSA-N 0 0 415.607 4.829 50 0 HJAARN COc1ccc([C@@H]2CCCN2C(=O)CCC(=O)c2ccc(Cl)s2)cc1OC ZINC000040039804 571142303 /nfs/dbraw/zinc/14/23/03/571142303.db2.gz ZNNKTOCNSPAXGL-AWEZNQCLSA-N 0 0 407.919 4.745 50 0 HJAARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1nc2cc(Cl)ccc2s1 ZINC000008893955 571142951 /nfs/dbraw/zinc/14/29/51/571142951.db2.gz XKDDHIVYUKVFSH-NSHDSACASA-N 0 0 417.943 4.806 50 0 HJAARN Cc1oc2cc(OCC(=O)N(C)Cc3cccs3)ccc2c(=O)c1-c1ccccc1 ZINC000040050836 571144288 /nfs/dbraw/zinc/14/42/88/571144288.db2.gz UXAUYYJNEYQKQE-UHFFFAOYSA-N 0 0 419.502 4.867 50 0 HJAARN CC(C)[C@H](NC(=O)c1cnc2ccccn2c1=O)c1ccc(C2CCCCC2)cc1 ZINC000040058009 571146057 /nfs/dbraw/zinc/14/60/57/571146057.db2.gz UPVWDLWLPLHYJN-QHCPKHFHSA-N 0 0 403.526 4.869 50 0 HJAARN COc1ccc(-n2nc3c(c2NC(=O)c2ccc(C(F)(F)F)cc2)CSC3)cc1 ZINC000008909706 571146602 /nfs/dbraw/zinc/14/66/02/571146602.db2.gz GCPYNODHUFYIQP-UHFFFAOYSA-N 0 0 419.428 4.899 50 0 HJAARN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCc1ccc(Cn2cncn2)cc1 ZINC000040067926 571148605 /nfs/dbraw/zinc/14/86/05/571148605.db2.gz XUMSRTGXCQABQN-CQSZACIVSA-N 0 0 418.328 4.536 50 0 HJAARN Cc1c(C(=O)N2CCC(c3c[nH]c4ccccc43)CC2)cnn1-c1ccc(F)cc1 ZINC000040068158 571148702 /nfs/dbraw/zinc/14/87/02/571148702.db2.gz SHXLRPLMJJNJOS-UHFFFAOYSA-N 0 0 402.473 4.821 50 0 HJAARN O=C(COc1ccc(Br)cc1)N(Cc1ccco1)Cc1ccccc1F ZINC000008916431 571151969 /nfs/dbraw/zinc/15/19/69/571151969.db2.gz LAYXYFUSKGSPAX-UHFFFAOYSA-N 0 0 418.262 4.789 50 0 HJAARN O=C(c1ccccc1Nc1ccc(F)cc1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000040080012 571155212 /nfs/dbraw/zinc/15/52/12/571155212.db2.gz LBAGVWWKFMQRFQ-QGZVFWFLSA-N 0 0 415.472 4.632 50 0 HJAARN C[C@H](OC(=O)c1cc(-c2cccnc2)nc2ccccc21)c1nc(C(C)(C)C)no1 ZINC000040086332 571156828 /nfs/dbraw/zinc/15/68/28/571156828.db2.gz RKFODVZTKCKCNP-AWEZNQCLSA-N 0 0 402.454 4.895 50 0 HJAARN O=C(NCc1ccccc1Cn1ccnc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000040095116 571162015 /nfs/dbraw/zinc/16/20/15/571162015.db2.gz IEEQPLVBWUGRAX-UHFFFAOYSA-N 0 0 408.811 4.925 50 0 HJAARN Cc1c(C[NH2+]CCc2cccs2)c(C(=O)[O-])c(C)n1Cc1ccc(Cl)cc1 ZINC000008932663 571163051 /nfs/dbraw/zinc/16/30/51/571163051.db2.gz QJACNEOZZMREQR-UHFFFAOYSA-N 0 0 402.947 4.899 50 0 HJAARN COc1ccccc1CC[NH2+]Cc1c(C)n(Cc2ccccc2C)c(C)c1C(=O)[O-] ZINC000008932680 571163094 /nfs/dbraw/zinc/16/30/94/571163094.db2.gz XZGDLWLHSUSOSO-UHFFFAOYSA-N 0 0 406.526 4.501 50 0 HJAARN CCCN(Cc1ccccc1)C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000040103734 571164507 /nfs/dbraw/zinc/16/45/07/571164507.db2.gz QWYUSODSRIGPSV-UHFFFAOYSA-N 0 0 405.292 4.664 50 0 HJAARN Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H](C)Cc1ccccc1Cl ZINC000040111969 571169921 /nfs/dbraw/zinc/16/99/21/571169921.db2.gz PIJYCYHGSFUCMA-ZDUSSCGKSA-N 0 0 415.946 4.993 50 0 HJAARN Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1cccc(OCc2ccccn2)c1 ZINC000040111871 571170004 /nfs/dbraw/zinc/17/00/04/571170004.db2.gz LFMKPMRATNBCPG-UHFFFAOYSA-N 0 0 417.440 4.693 50 0 HJAARN Cc1cc(CSc2ncccc2C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)no1 ZINC000040112752 571170696 /nfs/dbraw/zinc/17/06/96/571170696.db2.gz NJDLAOHHAZBVMO-INIZCTEOSA-N 0 0 411.527 4.949 50 0 HJAARN Cc1cc(CSc2ncccc2C(=O)Nc2ccc(Oc3cnccn3)cc2)no1 ZINC000040112553 571170848 /nfs/dbraw/zinc/17/08/48/571170848.db2.gz FTDOLRACWHEHIP-UHFFFAOYSA-N 0 0 419.466 4.505 50 0 HJAARN COc1ccc(CCC(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CC(C)C)cc1 ZINC000008959018 571182254 /nfs/dbraw/zinc/18/22/54/571182254.db2.gz BXFSHCXHLJIWDO-UHFFFAOYSA-N 0 0 424.541 4.674 50 0 HJAARN O=C(Cc1ccc(-n2cccn2)cc1)Nc1c(-c2ccc(F)cc2)nc2sccn21 ZINC000040131182 571183535 /nfs/dbraw/zinc/18/35/35/571183535.db2.gz WIHZXXZLQUGIOM-UHFFFAOYSA-N 0 0 417.469 4.569 50 0 HJAARN Cc1sc(=O)n(CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)c1-c1ccc(F)cc1 ZINC000040131657 571184018 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/nfs/dbraw/zinc/27/50/49/571275049.db2.gz YTDCUMWKCJOZLV-UHFFFAOYSA-N 0 0 424.526 4.668 50 0 HJAARN COc1cc(CN(C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)ccc1OCc1ccccc1 ZINC000009641926 571275881 /nfs/dbraw/zinc/27/58/81/571275881.db2.gz NAJKVVRTXGRILB-UHFFFAOYSA-N 0 0 420.509 4.694 50 0 HJAARN C[C@H](Sc1nnnn1C1CCCC1)c1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000009643915 571276002 /nfs/dbraw/zinc/27/60/02/571276002.db2.gz GKRLYUDESBJYAQ-LBPRGKRZSA-N 0 0 424.555 4.607 50 0 HJAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N[C@H]3CCOc4ccccc43)cc12 ZINC000009643027 571276050 /nfs/dbraw/zinc/27/60/50/571276050.db2.gz CZLCGAMZFMJAPO-IBGZPJMESA-N 0 0 421.497 4.847 50 0 HJAARN Cc1ccc(NC(=O)[C@@H](Sc2nnnn2Cc2ccccc2)c2ccccc2)cc1 ZINC000009647438 571276501 /nfs/dbraw/zinc/27/65/01/571276501.db2.gz IZZZPUNYPHXPAV-NRFANRHFSA-N 0 0 415.522 4.502 50 0 HJAARN C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc21)C(=O)Nc1ccc(Cl)cn1 ZINC000009647126 571276577 /nfs/dbraw/zinc/27/65/77/571276577.db2.gz CFTUMNAWNJFPQU-SECBINFHSA-N 0 0 412.824 4.816 50 0 HJAARN Cc1c2cc(Br)ccc2oc1C(=O)OCC(=O)Nc1ccccc1Cl ZINC000009664839 571277942 /nfs/dbraw/zinc/27/79/42/571277942.db2.gz QXDFWKHIIRSFBG-UHFFFAOYSA-N 0 0 422.662 4.953 50 0 HJAARN CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C1=O ZINC000009667909 571278258 /nfs/dbraw/zinc/27/82/58/571278258.db2.gz WFTPGVVUMXJPID-OVCLIPMQSA-N 0 0 411.672 4.748 50 0 HJAARN COc1ccc2ncc3c(-c4ccc(C)cc4)nn(CC(=O)NC4CCCC4)c3c2c1 ZINC000009725532 571282349 /nfs/dbraw/zinc/28/23/49/571282349.db2.gz OAFIIMGEFKYXKZ-UHFFFAOYSA-N 0 0 414.509 4.627 50 0 HJAARN Cc1nnc(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)n1-c1cccc(C)c1 ZINC000009728408 571282703 /nfs/dbraw/zinc/28/27/03/571282703.db2.gz BFAKLAIYNSQGCG-MRXNPFEDSA-N 0 0 424.595 4.894 50 0 HJAARN CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nc2c3ccccc3oc2c1=O ZINC000009752196 571284286 /nfs/dbraw/zinc/28/42/86/571284286.db2.gz WXLRCZGOZIUUBM-UHFFFAOYSA-N 0 0 407.495 4.510 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)Cc1csc(NC(=O)NC2CCCCC2)n1 ZINC000009785174 571285361 /nfs/dbraw/zinc/28/53/61/571285361.db2.gz RKVDTLJHBLGCKL-UHFFFAOYSA-N 0 0 406.939 4.740 50 0 HJAARN CC(C)[C@H](NC(=O)N(C)CCOc1ccccc1Cl)c1ccc2c(c1)OCCO2 ZINC000009792141 571285602 /nfs/dbraw/zinc/28/56/02/571285602.db2.gz DOUJSXCMDLNDMV-NRFANRHFSA-N 0 0 418.921 4.529 50 0 HJAARN CC(C)[C@@H](NC(=O)N(C)Cc1nc2ccccc2s1)c1ccc2c(c1)OCCO2 ZINC000009792048 571285604 /nfs/dbraw/zinc/28/56/04/571285604.db2.gz KOJBLUUAHUMJSD-OAQYLSRUSA-N 0 0 411.527 4.606 50 0 HJAARN CC(=O)Nc1ccc(-c2csc(NC(=O)CSc3ccc4c(c3)CCC4)n2)cc1 ZINC000009817651 571286161 /nfs/dbraw/zinc/28/61/61/571286161.db2.gz YMMQFWKVGMVUCK-UHFFFAOYSA-N 0 0 423.563 4.988 50 0 HJAARN CCc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1ccc(C)cc1 ZINC000009855889 571288489 /nfs/dbraw/zinc/28/84/89/571288489.db2.gz JIZZVFCKQVSAKS-UHFFFAOYSA-N 0 0 424.500 4.742 50 0 HJAARN Cc1ccc(S(=O)(=O)CCCC(=O)Nc2nc3c(ccc(Cl)c3C)s2)cc1 ZINC000009913017 571290134 /nfs/dbraw/zinc/29/01/34/571290134.db2.gz RXZTURWDENBXIA-UHFFFAOYSA-N 0 0 422.959 4.759 50 0 HJAARN CC(=O)Nc1ccc(S[C@@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)cc1 ZINC000009951174 571291408 /nfs/dbraw/zinc/29/14/08/571291408.db2.gz UZSJCRGEJDCYBN-LJQANCHMSA-N 0 0 416.930 4.612 50 0 HJAARN COc1ccc(-c2csc(NC(=O)CSc3ncnc4sccc43)n2)cc1 ZINC000009951586 571291508 /nfs/dbraw/zinc/29/15/08/571291508.db2.gz DZPHACLMAKNQKG-UHFFFAOYSA-N 0 0 414.537 4.554 50 0 HJAARN Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCCc1ccc(Cl)cc1 ZINC000071326383 571291650 /nfs/dbraw/zinc/29/16/50/571291650.db2.gz NMORAGDERAFSCR-UHFFFAOYSA-N 0 0 407.326 4.869 50 0 HJAARN O=C(COc1ccc(F)cc1)Nc1c2ccccc2oc1C(=O)Nc1ccc(F)cc1 ZINC000009959111 571291996 /nfs/dbraw/zinc/29/19/96/571291996.db2.gz VSYYVMMTJMQNOA-UHFFFAOYSA-N 0 0 422.387 4.981 50 0 HJAARN CC(=O)c1ccc(NC(=O)CSc2ncnc3c(-c4ccc(F)cc4)c[nH]c32)cc1 ZINC000071328176 571292495 /nfs/dbraw/zinc/29/24/95/571292495.db2.gz PFQHWTQUXRCSIG-UHFFFAOYSA-N 0 0 420.469 4.697 50 0 HJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCC(=O)c1ccc(F)c(F)c1 ZINC000009963819 571293069 /nfs/dbraw/zinc/29/30/69/571293069.db2.gz IEYBWDPFESXUIW-UHFFFAOYSA-N 0 0 418.827 4.520 50 0 HJAARN Cc1ccc(NC(=O)[C@@H](C)n2nnc3sc(-c4ccccc4)cc3c2=O)cc1Cl ZINC000009971159 571293287 /nfs/dbraw/zinc/29/32/87/571293287.db2.gz JERBJTGZOPDGSH-CYBMUJFWSA-N 0 0 424.913 4.682 50 0 HJAARN O=C(OCc1ncc(-c2ccccc2)o1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000009984276 571293611 /nfs/dbraw/zinc/29/36/11/571293611.db2.gz UJCDQZYHSANJKL-UHFFFAOYSA-N 0 0 422.444 4.946 50 0 HJAARN O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)NCc1ccc(F)cc1 ZINC000009987565 571293737 /nfs/dbraw/zinc/29/37/37/571293737.db2.gz LPJRCXGIVMEKRN-UHFFFAOYSA-N 0 0 424.526 4.543 50 0 HJAARN COc1cc(NC(=O)c2cccnc2Cl)ccc1-c1cc2ccccc2oc1=O ZINC000010128916 571295328 /nfs/dbraw/zinc/29/53/28/571295328.db2.gz KQZOXLXKTHGTPX-UHFFFAOYSA-N 0 0 406.825 4.769 50 0 HJAARN CCOc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3ccc(OC)cc3)C[C@H]21 ZINC000010215630 571297129 /nfs/dbraw/zinc/29/71/29/571297129.db2.gz BZARBMCMBGGJRM-ZJSXRUAMSA-N 0 0 401.466 4.731 50 0 HJAARN C[C@H]1C[C@H](C)CN(c2oc(-c3cccs3)nc2S(=O)(=O)c2ccccc2)C1 ZINC000010272067 571298862 /nfs/dbraw/zinc/29/88/62/571298862.db2.gz OJRSOJFRMINXAG-GJZGRUSLSA-N 0 0 402.541 4.718 50 0 HJAARN CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)SC2=Nc3ccccc3[C@H]3CC=NN23)c1C ZINC000010276859 571299181 /nfs/dbraw/zinc/29/91/81/571299181.db2.gz WQEYANHTYAACLJ-WMLDXEAASA-N 0 0 424.526 4.547 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000010327627 571300491 /nfs/dbraw/zinc/30/04/91/571300491.db2.gz ASKSYBIWHLNLFG-UHFFFAOYSA-N 0 0 422.912 4.626 50 0 HJAARN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cn2cncn2)cc1 ZINC000010391451 571301997 /nfs/dbraw/zinc/30/19/97/571301997.db2.gz ARZOYISVWSXNBI-UHFFFAOYSA-N 0 0 414.309 4.616 50 0 HJAARN COc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)cc1 ZINC000010443245 571302885 /nfs/dbraw/zinc/30/28/85/571302885.db2.gz KFGGZHXOXGQJBI-UHFFFAOYSA-N 0 0 420.465 4.508 50 0 HJAARN O=C(c1nc2ccccc2s1)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000077177487 571311969 /nfs/dbraw/zinc/31/19/69/571311969.db2.gz LWGFAYAPLWJHSL-ZDUSSCGKSA-N 0 0 424.526 4.974 50 0 HJAARN COc1ccccc1NC(=O)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccc(F)cc2)C1 ZINC000077200389 571313057 /nfs/dbraw/zinc/31/30/57/571313057.db2.gz LUUNDJUCJKZMJW-IAGOWNOFSA-N 0 0 401.438 4.516 50 0 HJAARN CONC(=O)c1ccccc1Nc1cc(Nc2cc(C)nn2C(C)C)ncc1Cl ZINC000114407258 571315429 /nfs/dbraw/zinc/31/54/29/571315429.db2.gz BVAHPPKGOOJSPU-UHFFFAOYSA-N 0 0 414.897 4.599 50 0 in-vitro HJAARN O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1cccnc1Sc1ccccc1 ZINC000030529230 571315675 /nfs/dbraw/zinc/31/56/75/571315675.db2.gz NOOHHKRGEHXQGK-HXUWFJFHSA-N 0 0 419.506 4.603 50 0 HJAARN O=C(NCCC1=CCCCC1)C1CCN(c2cc(-c3ccc(F)cc3)ncn2)CC1 ZINC000035480898 571316784 /nfs/dbraw/zinc/31/67/84/571316784.db2.gz NDWZKAJGZKEBMY-UHFFFAOYSA-N 0 0 408.521 4.506 50 0 HJAARN CCCN1c2ccc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc2CCC1=O ZINC000008840545 535002935 /nfs/dbraw/zinc/00/29/35/535002935.db2.gz BWLZRWYQVIUVPP-UHFFFAOYSA-N 0 0 414.571 4.719 50 0 HJAARN COc1ccc(CCC(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1 ZINC000009107403 132228206 /nfs/dbraw/zinc/22/82/06/132228206.db2.gz BYOHLPKLAGLGHT-UHFFFAOYSA-N 0 0 414.505 4.746 50 0 HJAARN O=C(c1cc(Cl)ccc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000000670639 132230488 /nfs/dbraw/zinc/23/04/88/132230488.db2.gz HQNXYSATHAXHKX-UHFFFAOYSA-N 0 0 403.231 4.975 50 0 HJAARN O=C(Nc1cccc(Cl)c1N1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000001065335 132236147 /nfs/dbraw/zinc/23/61/47/132236147.db2.gz CDCIXHJXYUMEKM-UHFFFAOYSA-N 0 0 406.913 4.947 50 0 HJAARN O=C(Nc1ccccc1)N1CCN(c2nnc(-c3ccccc3)c3ccccc32)CC1 ZINC000001113275 132237463 /nfs/dbraw/zinc/23/74/63/132237463.db2.gz VBFOWBUNUZEIRT-UHFFFAOYSA-N 0 0 409.493 4.651 50 0 HJAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)N1CCN(c2ccccc2F)CC1 ZINC000001116060 132237649 /nfs/dbraw/zinc/23/76/49/132237649.db2.gz GQWYQKNYUTTXPX-UHFFFAOYSA-N 0 0 417.695 4.514 50 0 HJAARN Cc1cc(C)cc(N2C3=C(C(=O)OC3)[C@@H](c3ccc(C(F)(F)F)cc3)CC2=O)c1 ZINC000001429593 132245938 /nfs/dbraw/zinc/24/59/38/132245938.db2.gz ZEFYQWVIHSTVQZ-QGZVFWFLSA-N 0 0 401.384 4.654 50 0 HJAARN O=C(c1cccs1)N(C(=S)N1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000001635190 132247120 /nfs/dbraw/zinc/24/71/20/132247120.db2.gz GHOMTOKRYXRAQH-UHFFFAOYSA-N 0 0 407.564 4.502 50 0 HJAARN CCOc1ccccc1N1CCN(C(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)CC1 ZINC000002644154 132256279 /nfs/dbraw/zinc/25/62/79/132256279.db2.gz MVNGAGVNGPMKHC-SFHVURJKSA-N 0 0 417.553 4.654 50 0 HJAARN CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)cc1 ZINC000002838473 132258371 /nfs/dbraw/zinc/25/83/71/132258371.db2.gz YUMFTXAJJBIHJE-KRWDZBQOSA-N 0 0 411.571 4.981 50 0 HJAARN COC(=O)C1=CN(c2ccc(F)c(Cl)c2)C=C(C(=O)OC)C1c1ccc(C)s1 ZINC000002844556 132258381 /nfs/dbraw/zinc/25/83/81/132258381.db2.gz NODSTJOONAFORP-UHFFFAOYSA-N 0 0 421.877 4.567 50 0 HJAARN O=C(COc1ccccc1)c1cn(CC(=O)N2CCCc3ccccc32)c2ccccc12 ZINC000002866507 132258708 /nfs/dbraw/zinc/25/87/08/132258708.db2.gz ALUIXHUXZCMTPE-UHFFFAOYSA-N 0 0 424.500 4.882 50 0 HJAARN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@@H]1c1ccccc1C(F)(F)F ZINC000003194963 132263298 /nfs/dbraw/zinc/26/32/98/132263298.db2.gz ADCQOGZXVUAZOJ-GOSISDBHSA-N 0 0 404.388 4.813 50 0 HJAARN Cc1sc2ncnc(N3CCC(C(=O)N[C@@H]4CCCc5ccccc54)CC3)c2c1C ZINC000003433337 132266018 /nfs/dbraw/zinc/26/60/18/132266018.db2.gz XDZMACFDTVKIMD-HXUWFJFHSA-N 0 0 420.582 4.718 50 0 HJAARN OC[C@@H]1CCCN(c2nc(CN3CCCCC3)nc3scc(-c4ccccc4)c32)C1 ZINC000003434604 132266057 /nfs/dbraw/zinc/26/60/57/132266057.db2.gz AYVQQYDDBWZNFC-GOSISDBHSA-N 0 0 422.598 4.553 50 0 HJAARN O=C(c1ccc(-c2nc3ccccc3s2)s1)N1CCN(c2ccccc2)CC1 ZINC000003442828 132266281 /nfs/dbraw/zinc/26/62/81/132266281.db2.gz ZMJAXAOECJNIHQ-UHFFFAOYSA-N 0 0 405.548 4.987 50 0 HJAARN CC(C)CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)CS2 ZINC000003645349 132267469 /nfs/dbraw/zinc/26/74/69/132267469.db2.gz HAFIOEZYUCWVQM-UHFFFAOYSA-N 0 0 402.947 4.755 50 0 HJAARN COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc32)CC1 ZINC000004418288 132277049 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O=C(CS(=O)(=O)c1ccc(Cl)cc1)N[C@H](c1ccccc1)C1CCCCC1 ZINC000032379817 527006380 /nfs/dbraw/zinc/00/63/80/527006380.db2.gz DYXRRJFVRDNOCL-OAQYLSRUSA-N 0 0 405.947 4.552 50 0 HJAARN O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(F)cc1)Nc1nccs1 ZINC000044086974 527067998 /nfs/dbraw/zinc/06/79/98/527067998.db2.gz ZRVQAFZBUGKNTJ-UHFFFAOYSA-N 0 0 410.499 4.866 50 0 HJAARN Cc1nc2c3ccccc3nc(SCc3cc(=O)oc4cc(C)c(C)cc34)n2n1 ZINC000032871510 527115242 /nfs/dbraw/zinc/11/52/42/527115242.db2.gz CICDEMYQDZWTHK-UHFFFAOYSA-N 0 0 402.479 4.601 50 0 HJAARN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)Nc2c(-c3ccc(F)cc3)cnn21 ZINC000032093835 527184150 /nfs/dbraw/zinc/18/41/50/527184150.db2.gz IOTLPJJQOZWLPT-INIZCTEOSA-N 0 0 419.243 4.518 50 0 HJAARN O=C(Nc1ccc(I)cc1C(F)(F)F)c1cccc(F)c1 ZINC000000679722 527221333 /nfs/dbraw/zinc/22/13/33/527221333.db2.gz AXTWJASSCGQARK-UHFFFAOYSA-N 0 0 409.120 4.701 50 0 HJAARN O=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1ccccc1Br ZINC000032095243 527236451 /nfs/dbraw/zinc/23/64/51/527236451.db2.gz 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COc1ccc(-c2nc(CN3CCC[C@@H](OCc4ccccc4)C3)c(C)o2)c(F)c1 ZINC000012758633 558460695 /nfs/dbraw/zinc/46/06/95/558460695.db2.gz BLLRYKVQKFYDPO-HXUWFJFHSA-N 0 0 410.489 4.979 50 0 HJAARN Cc1cc(C)c(-c2csc(NC(=O)c3ccc(Cn4cncn4)cc3)n2)cc1C ZINC000010817722 558461263 /nfs/dbraw/zinc/46/12/63/558461263.db2.gz XIEVCMBMMQTUMB-UHFFFAOYSA-N 0 0 403.511 4.627 50 0 HJAARN O=C(CSc1ncnc2ccsc21)Nc1ccc(Br)cc1Cl ZINC000022069201 558461376 /nfs/dbraw/zinc/46/13/76/558461376.db2.gz CXVYMYGWUCANPP-UHFFFAOYSA-N 0 0 414.737 4.838 50 0 HJAARN Cc1cc(OCC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c(C(C)C)cc1Cl ZINC000012785912 558463245 /nfs/dbraw/zinc/46/32/45/558463245.db2.gz WOVOJFMZVPPYFX-INIZCTEOSA-N 0 0 412.921 4.609 50 0 HJAARN Cc1cc(-c2cc(C(=O)Nc3ncccc3O)c3cnn(C(C)C)c3n2)c(C)s1 ZINC000022102354 558463692 /nfs/dbraw/zinc/46/36/92/558463692.db2.gz RPBJCRPCYGGAAH-UHFFFAOYSA-N 0 0 407.499 4.710 50 0 HJAARN Cc1ccc(NC(=O)Cc2nc(COc3cccc4c3OC(C)(C)C4)cs2)cc1 ZINC000012793954 558467314 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HJAARN Cc1cccc(C)c1NC(=O)CN[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 ZINC000023956397 558582648 /nfs/dbraw/zinc/58/26/48/558582648.db2.gz QGUUKFIHKHTXCP-RUZDIDTESA-N 0 0 411.505 4.937 50 0 HJAARN COC(=O)c1ccoc1CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000024039479 558585984 /nfs/dbraw/zinc/58/59/84/558585984.db2.gz AUGRNXTXIHLJHX-UHFFFAOYSA-N 0 0 409.442 4.745 50 0 HJAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ncnc4ccccc43)cc2)cc1C ZINC000024057594 558587200 /nfs/dbraw/zinc/58/72/00/558587200.db2.gz GUJMRMCVYSAKLU-UHFFFAOYSA-N 0 0 419.506 4.864 50 0 HJAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ncnc4ccccc43)cc2)cc1 ZINC000024057496 558587208 /nfs/dbraw/zinc/58/72/08/558587208.db2.gz DOAQTZWIZSZNHK-UHFFFAOYSA-N 0 0 405.479 4.556 50 0 HJAARN COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cc(C)c(O)c(C)c2)c(OC)c1 ZINC000024080151 558587848 /nfs/dbraw/zinc/58/78/48/558587848.db2.gz AWKFTNRCPHMZTO-QHCPKHFHSA-N 0 0 404.466 4.797 50 0 HJAARN COc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc(F)cc2)cc1 ZINC000013777698 558592661 /nfs/dbraw/zinc/59/26/61/558592661.db2.gz CQNRQHOVPXDDKV-UHFFFAOYSA-N 0 0 416.452 4.831 50 0 HJAARN Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCc4cccs4)cc3N2)cc1 ZINC000013810102 558595438 /nfs/dbraw/zinc/59/54/38/558595438.db2.gz RJQUSHOXJSCGPG-NVXWUHKLSA-N 0 0 420.460 4.843 50 0 HJAARN Cc1c(Cl)cccc1Nc1nnc(SCc2cc(=O)n3ccccc3n2)s1 ZINC000024506288 558599618 /nfs/dbraw/zinc/59/96/18/558599618.db2.gz NCTWLGJDDFCXIB-UHFFFAOYSA-N 0 0 415.931 4.544 50 0 HJAARN COc1ccc(-c2nnc(S[C@@H](C)c3nc(=O)c4c(C)c(C)sc4[nH]3)o2)cc1 ZINC000004475384 558599853 /nfs/dbraw/zinc/59/98/53/558599853.db2.gz NYXJFXJPUFQGIG-NSHDSACASA-N 0 0 414.512 4.513 50 0 HJAARN COc1cc(NC(=O)COc2cccc(C)c2C)ccc1NC(=O)c1cccs1 ZINC000004487837 558601095 /nfs/dbraw/zinc/60/10/95/558601095.db2.gz ZYJMYQDQCFFMPQ-UHFFFAOYSA-N 0 0 410.495 4.643 50 0 HJAARN CC(C)NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC000004484651 558603530 /nfs/dbraw/zinc/60/35/30/558603530.db2.gz LVKMBZLIACCOST-UHFFFAOYSA-N 0 0 407.461 4.720 50 0 HJAARN COCCn1c2ccccc2nc1SCC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000004484779 558603599 /nfs/dbraw/zinc/60/35/99/558603599.db2.gz HYHUWHRMYDORLC-UHFFFAOYSA-N 0 0 411.571 4.602 50 0 HJAARN O=C1c2cccc3cccc(c23)N1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000024634384 558605760 /nfs/dbraw/zinc/60/57/60/558605760.db2.gz ZLFHCKKYGYGBCO-UHFFFAOYSA-N 0 0 411.427 4.599 50 0 HJAARN Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)NC1CCCCC1 ZINC000013955495 558607416 /nfs/dbraw/zinc/60/74/16/558607416.db2.gz VUZIKFNMHGKKEA-RUZDIDTESA-N 0 0 415.537 4.861 50 0 HJAARN COC(=O)c1cc(C)sc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)C ZINC000013961119 558608932 /nfs/dbraw/zinc/60/89/32/558608932.db2.gz HWHYFJGBNDONMI-UHFFFAOYSA-N 0 0 412.515 4.607 50 0 HJAARN C[C@H](c1nnc(SCCOc2ccc(Cl)cc2)n1-c1ccc(F)cc1)N(C)C ZINC000004490719 558609334 /nfs/dbraw/zinc/60/93/34/558609334.db2.gz LFVHUCWIVZEFTN-CQSZACIVSA-N 0 0 420.941 4.854 50 0 HJAARN COc1ccc(CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)cc1F ZINC000004494142 558610250 /nfs/dbraw/zinc/61/02/50/558610250.db2.gz FUYRODNOHHQPPG-KRWDZBQOSA-N 0 0 417.481 4.703 50 0 HJAARN COc1ccc(OC)c(-c2csc(NC(=O)CSc3ccc(F)cc3)n2)c1 ZINC000004496753 558611029 /nfs/dbraw/zinc/61/10/29/558611029.db2.gz INCPSGXALCLKGO-UHFFFAOYSA-N 0 0 404.488 4.697 50 0 HJAARN Cc1ccc(-c2nnc(CCC(=O)N3CCC[C@H]3c3nc4ccccc4s3)o2)cc1 ZINC000024775923 558612463 /nfs/dbraw/zinc/61/24/63/558612463.db2.gz ZBXAWNHFVVDFTQ-SFHVURJKSA-N 0 0 418.522 4.951 50 0 HJAARN Cc1ccc(-c2nnc(CCC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)o2)cc1 ZINC000024775913 558612473 /nfs/dbraw/zinc/61/24/73/558612473.db2.gz ZBXAWNHFVVDFTQ-GOSISDBHSA-N 0 0 418.522 4.951 50 0 HJAARN O=C(NCc1ccc(COCC(F)(F)F)cc1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000014018904 558613950 /nfs/dbraw/zinc/61/39/50/558613950.db2.gz LBSRFQYSXDXYSD-UHFFFAOYSA-N 0 0 422.422 4.904 50 0 HJAARN COc1ccc(-c2csc(NC(=O)CSc3ccc(C)cc3)n2)c(OC)c1 ZINC000004496462 558615226 /nfs/dbraw/zinc/61/52/26/558615226.db2.gz FWZDXTDFZWMYAB-UHFFFAOYSA-N 0 0 400.525 4.867 50 0 HJAARN 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HQCLEIRJTJKXMX-UHFFFAOYSA-N 0 0 400.413 4.720 50 0 HJAARN Cc1cccc(Cc2cnc(NC(=O)N[C@H](c3nnc4ccccn43)C(C)C)s2)c1 ZINC000072230644 558619312 /nfs/dbraw/zinc/61/93/12/558619312.db2.gz RNUGOIGZRBTRLO-IBGZPJMESA-N 0 0 420.542 4.604 50 0 HJAARN CCCCN1C[C@@H](c2nc3ccccc3n2CCCOc2ccc(OC)cc2)CC1=O ZINC000014095541 558619974 /nfs/dbraw/zinc/61/99/74/558619974.db2.gz ZOCXDKAHHVVZTQ-IBGZPJMESA-N 0 0 421.541 4.630 50 0 HJAARN COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCC4)ccc1OCc1ccccc1 ZINC000024986321 558625075 /nfs/dbraw/zinc/62/50/75/558625075.db2.gz LDNDEAYJEVLXRD-UHFFFAOYSA-N 0 0 404.491 4.728 50 0 HJAARN CCOc1cccc2cc([C@@H](C)NS(=O)(=O)c3ccccc3Br)oc21 ZINC000024991137 558625921 /nfs/dbraw/zinc/62/59/21/558625921.db2.gz MJEGUZYOVQSVNY-GFCCVEGCSA-N 0 0 424.316 4.634 50 0 HJAARN Cc1cc(-c2csc(CC(=O)Nc3ccc(C)cc3)n2)c(C)n1C[C@H]1CCCO1 ZINC000014168245 558626901 /nfs/dbraw/zinc/62/69/01/558626901.db2.gz JPRQJCQDPAWBLE-LJQANCHMSA-N 0 0 409.555 4.897 50 0 HJAARN 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O=C(Cc1ccc2ccccc2c1)Nn1cnc2scc(-c3cccs3)c2c1=O ZINC000014240392 558643255 /nfs/dbraw/zinc/64/32/55/558643255.db2.gz CDKMLTRLUHYJSA-UHFFFAOYSA-N 0 0 417.515 4.653 50 0 HJAARN Fc1ccccc1[C@@H]1C2=C(N=C3N=CNN31)c1ccccc1O[C@H]2c1cccs1 ZINC000025783656 558650041 /nfs/dbraw/zinc/65/00/41/558650041.db2.gz RFEFCBMGQFGPPN-RTWAWAEBSA-N 0 0 402.454 4.691 50 0 HJAARN Fc1cccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2F)N2NC=NC2=N3)c1 ZINC000025783677 558650111 /nfs/dbraw/zinc/65/01/11/558650111.db2.gz LOMYIKGLNOYMGK-GOTSBHOMSA-N 0 0 414.415 4.769 50 0 HJAARN Fc1ccccc1[C@H]1C2=C(N=C3N=CNN31)c1ccccc1O[C@H]2c1cccs1 ZINC000025783658 558650219 /nfs/dbraw/zinc/65/02/19/558650219.db2.gz RFEFCBMGQFGPPN-SFTDATJTSA-N 0 0 402.454 4.691 50 0 HJAARN CC(=O)N[C@H](C)c1ccc(C(=O)CSc2nccn2-c2ccc(Cl)cc2)cc1 ZINC000026042473 558653957 /nfs/dbraw/zinc/65/39/57/558653957.db2.gz NOBVWGGHKSSFLB-CQSZACIVSA-N 0 0 413.930 4.698 50 0 HJAARN CC(=O)N[C@@H](C)c1ccc(C(=O)CSc2nccn2-c2ccc(Cl)cc2)cc1 ZINC000026042477 558653971 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C[C@@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000015314347 558731955 /nfs/dbraw/zinc/73/19/55/558731955.db2.gz KYVBRSQEHARVGI-BQSCNCKTSA-N 0 0 420.597 4.660 50 0 HJAARN CCOc1ccc2nc(NC(=O)CCC(=O)O[C@@H]3CC[C@H](C)[C@@H](C)C3)sc2c1 ZINC000015318852 558732445 /nfs/dbraw/zinc/73/24/45/558732445.db2.gz HPDUZEAHPLHGLC-OFQRWUPVSA-N 0 0 404.532 4.782 50 0 HJAARN CCOc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@H]2c2ccsc2)cc1 ZINC000015412316 558738093 /nfs/dbraw/zinc/73/80/93/558738093.db2.gz KVWNRTNBLQXBJB-HSZRJFAPSA-N 0 0 420.534 4.885 50 0 HJAARN COc1ccc([C@H]2C(=O)N(c3ccccc3F)CC(=O)N2c2ccc(Cl)cc2)cc1 ZINC000015412372 558738197 /nfs/dbraw/zinc/73/81/97/558738197.db2.gz WVLCJKBIHFKTOC-QFIPXVFZSA-N 0 0 424.859 4.609 50 0 HJAARN COc1ccc([C@@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2cccc(C)c2C)cc1 ZINC000015413226 558738531 /nfs/dbraw/zinc/73/85/31/558738531.db2.gz PAGGDTNADAPYSB-RUZDIDTESA-N 0 0 414.505 4.742 50 0 HJAARN Cc1ccc(-c2nc(C(=O)N[C@H](c3nccn3C)c3ccccc3F)cs2)cc1 ZINC000015497783 558741554 /nfs/dbraw/zinc/74/15/54/558741554.db2.gz FGCKNAVNBGWXEQ-IBGZPJMESA-N 0 0 406.486 4.511 50 0 HJAARN COc1ccc(-c2cc(C(=O)Nc3nc(C(C)=O)cs3)c3ccccc3n2)cc1 ZINC000015575691 558744401 /nfs/dbraw/zinc/74/44/01/558744401.db2.gz LWKIZBHLWAPDJS-UHFFFAOYSA-N 0 0 403.463 4.822 50 0 HJAARN COC(=O)c1sccc1NC(=O)/C=C/c1cc(Cl)c(OC(C)C)c(OC)c1 ZINC000015606730 558745805 /nfs/dbraw/zinc/74/58/05/558745805.db2.gz WPAXXJMNMIFTAS-AATRIKPKSA-N 0 0 409.891 4.636 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955234 558746944 /nfs/dbraw/zinc/74/69/44/558746944.db2.gz RRMVTHWNZLYDEH-UHFFFAOYSA-N 0 0 410.905 4.549 50 0 HJAARN CC(=O)c1ccc(NC(=O)C(=CC=Cc2ccccc2)NC(=O)c2ccccc2)cc1 ZINC000015746697 558751618 /nfs/dbraw/zinc/75/16/18/558751618.db2.gz HLLJFXZQCAKYGH-AGPUXGRSSA-N 0 0 410.473 4.855 50 0 HJAARN CCCN1c2ccccc2/C(=C\c2nc3ccccc3c(=O)n2-c2ccc(C)cc2)C1=O ZINC000031829099 558752685 /nfs/dbraw/zinc/75/26/85/558752685.db2.gz OFXKQGQMFGFGDA-OQKWZONESA-N 0 0 421.500 4.991 50 0 HJAARN Cc1ccccc1OCCOc1c(Cl)cc(/C=C2\SC(=N)NC2=O)cc1Cl ZINC000015800521 558753939 /nfs/dbraw/zinc/75/39/39/558753939.db2.gz XVBISUCERGKAAY-YBEGLDIGSA-N 0 0 423.321 4.898 50 0 HJAARN Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000071195068 558755665 /nfs/dbraw/zinc/75/56/65/558755665.db2.gz NSGATDBWJGMIAV-NRFANRHFSA-N 0 0 401.441 4.898 50 0 HJAARN CCCOc1ccc(NC(=O)COc2ccc(Br)cc2)c2cccnc12 ZINC000015840915 558756698 /nfs/dbraw/zinc/75/66/98/558756698.db2.gz RQGSIQKNIBGNPD-UHFFFAOYSA-N 0 0 415.287 4.804 50 0 HJAARN CCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(N[C@H](C)C(C)C)c2C)cc1C ZINC000072304066 558756676 /nfs/dbraw/zinc/75/66/76/558756676.db2.gz GODUUXYOHGDTFZ-QGZVFWFLSA-N 0 0 417.575 4.774 50 0 HJAARN Cc1ccc([C@H](CNC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)N2CCC(C)CC2)o1 ZINC000015860513 558758438 /nfs/dbraw/zinc/75/84/38/558758438.db2.gz ABGFJFYDAKYUPO-FQEVSTJZSA-N 0 0 422.525 4.514 50 0 HJAARN CCSc1nnc2c(n1)O[C@@H](c1cccc(C)c1)N(C(=O)CC)c1ccccc1-2 ZINC000032997225 558758456 /nfs/dbraw/zinc/75/84/56/558758456.db2.gz DBYHMSXFOPDSGV-NRFANRHFSA-N 0 0 406.511 4.793 50 0 HJAARN CCSc1nnc2c(n1)O[C@H](c1ccc(C)cc1C)N(C(C)=O)c1ccccc1-2 ZINC000032997270 558758686 /nfs/dbraw/zinc/75/86/86/558758686.db2.gz WAPKMDYTJBONAJ-OAQYLSRUSA-N 0 0 406.511 4.712 50 0 HJAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(C)c(C)c1)N(C(C)=O)c1ccccc1-2 ZINC000032997275 558758688 /nfs/dbraw/zinc/75/86/88/558758688.db2.gz VLASKGWFOMJLPR-NRFANRHFSA-N 0 0 406.511 4.712 50 0 HJAARN CCSc1nnc2c(n1)O[C@H](c1ccccc1C)N(C(=O)CC)c1ccc(F)cc1-2 ZINC000032997823 558758957 /nfs/dbraw/zinc/75/89/57/558758957.db2.gz MWTQVBQKRBKRIM-OAQYLSRUSA-N 0 0 424.501 4.932 50 0 HJAARN CCOc1ccc(C(=O)Nc2ccc(OC)c(NC(=O)c3cccc(C)c3)c2)cc1 ZINC000032998397 558759343 /nfs/dbraw/zinc/75/93/43/558759343.db2.gz YWPYEPUZXSDKHG-UHFFFAOYSA-N 0 0 404.466 4.907 50 0 HJAARN COc1cc(OC)cc(C(=O)Nc2ccc(OC)c(NC(=O)c3ccccc3C)c2)c1 ZINC000032998357 558759345 /nfs/dbraw/zinc/75/93/45/558759345.db2.gz JSUOATDVYGXGQT-UHFFFAOYSA-N 0 0 420.465 4.525 50 0 HJAARN COc1ccc(CCC(=O)Nc2ccc(OC)c(NC(=O)c3cccc(C)c3)c2)cc1 ZINC000032998393 558759348 /nfs/dbraw/zinc/75/93/48/558759348.db2.gz BKEXCEYMQSRPQV-UHFFFAOYSA-N 0 0 418.493 4.836 50 0 HJAARN CCCc1c(C)nc2ncnn2c1Sc1ccccc1NC(=O)c1ccc(F)cc1 ZINC000033114891 558761121 /nfs/dbraw/zinc/76/11/21/558761121.db2.gz MYYQNVFAJUCWIC-UHFFFAOYSA-N 0 0 421.501 4.928 50 0 HJAARN Cc1ccccc1N1CCN(c2nccn3nc(-c4ccc(Cl)cc4)cc23)CC1 ZINC000033266335 558763151 /nfs/dbraw/zinc/76/31/51/558763151.db2.gz VWALZJFGYFIOQP-UHFFFAOYSA-N 0 0 403.917 4.685 50 0 HJAARN CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)cc1 ZINC000016014164 558766864 /nfs/dbraw/zinc/76/68/64/558766864.db2.gz SIBPVIVHFXHGJK-UHFFFAOYSA-N 0 0 422.531 4.543 50 0 HJAARN Cc1ccc(N2C(=O)C[C@@H](C(=O)Nc3ccc4c(c3)OCO4)[C@H]2c2cccs2)cc1 ZINC000016018611 558767283 /nfs/dbraw/zinc/76/72/83/558767283.db2.gz YYAHCFSZCUMPQE-VGSWGCGISA-N 0 0 420.490 4.518 50 0 HJAARN Cc1csc(C2(NS(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)CCC2)n1 ZINC000072307424 558767341 /nfs/dbraw/zinc/76/73/41/558767341.db2.gz ULGGAPCTZOEHFU-UHFFFAOYSA-N 0 0 411.763 4.769 50 0 HJAARN c1nc2ccccc2n1Cc1nnc2sc(C(c3ccccc3)c3ccccc3)nn12 ZINC000033531859 558769840 /nfs/dbraw/zinc/76/98/40/558769840.db2.gz ACKVNRCXJKTZHN-UHFFFAOYSA-N 0 0 422.517 4.764 50 0 HJAARN CC[C@H](C)n1c(=O)c2ccccc2nc1SCc1cc(=O)oc2c(C)c(O)ccc12 ZINC000016046353 558770380 /nfs/dbraw/zinc/77/03/80/558770380.db2.gz NOVMCIATHNLCRS-ZDUSSCGKSA-N 0 0 422.506 4.780 50 0 HJAARN CN(C)c1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000033696869 558770780 /nfs/dbraw/zinc/77/07/80/558770780.db2.gz FHMXTZARZZAHMO-UHFFFAOYSA-N 0 0 402.317 4.891 50 0 HJAARN CC(C)c1ccc(CN(c2ccc3c(c2)OCO3)S(=O)(=O)c2cccs2)cc1 ZINC000033808213 558771560 /nfs/dbraw/zinc/77/15/60/558771560.db2.gz OGIRCBYVTBVZRK-UHFFFAOYSA-N 0 0 415.536 4.996 50 0 HJAARN O=c1c2cc(Cl)cc(Cl)c2nc(CN2CCCCC2)n1-c1ccccc1F ZINC000002860632 558773896 /nfs/dbraw/zinc/77/38/96/558773896.db2.gz QFIZDGGBLCAZAS-UHFFFAOYSA-N 0 0 406.288 4.818 50 0 HJAARN O=C1[C@@H]2[C@@H](C(=O)N1c1nc3ccccc3s1)C1c3ccccc3C2c2ccccc21 ZINC000000850607 558774509 /nfs/dbraw/zinc/77/45/09/558774509.db2.gz YTLSEFYARONJEB-UJKMTWAASA-N 0 0 408.482 4.693 50 0 HJAARN CCOC(=O)N1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1Cl ZINC000001194015 558775752 /nfs/dbraw/zinc/77/57/52/558775752.db2.gz CPTPUIGLTYDOMU-QGZVFWFLSA-N 0 0 423.694 4.603 50 0 HJAARN COc1cc(CSc2nnc(-c3ccco3)n2-c2ccccc2)cc(OC)c1OC ZINC000016195254 558777881 /nfs/dbraw/zinc/77/78/81/558777881.db2.gz QWDFSUNEGBHUMJ-UHFFFAOYSA-N 0 0 423.494 4.845 50 0 HJAARN CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 ZINC000004585810 558781141 /nfs/dbraw/zinc/78/11/41/558781141.db2.gz SRCUCWBQILVJBR-UHFFFAOYSA-N 0 0 406.916 4.509 50 0 HJAARN Cn1ccnc1[C@H](NC(=O)c1cc2cc(Cl)ccc2o1)c1ccc(Cl)cc1 ZINC000016262931 558781858 /nfs/dbraw/zinc/78/18/58/558781858.db2.gz BOMMRCYHJPLJRK-GOSISDBHSA-N 0 0 400.265 4.993 50 0 HJAARN CCc1cc(=O)n2nc(N[C@@H]3CCCC[C@H]3c3ccc(C(F)(F)F)cc3)sc2n1 ZINC000072310221 558781870 /nfs/dbraw/zinc/78/18/70/558781870.db2.gz NRMIPQRDCKHRJQ-JKSUJKDBSA-N 0 0 422.476 4.871 50 0 HJAARN COc1cccc(COc2ccc(-c3nc(C(=O)N4CCCC4)cs3)c(F)c2)c1 ZINC000034713428 558783302 /nfs/dbraw/zinc/78/33/02/558783302.db2.gz RYXYVOJZIOBKHK-UHFFFAOYSA-N 0 0 412.486 4.773 50 0 HJAARN CCOc1ccc(C(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2C)cc1 ZINC000004585481 558784409 /nfs/dbraw/zinc/78/44/09/558784409.db2.gz QYYBSEVBUQSQGJ-UHFFFAOYSA-N 0 0 413.477 4.654 50 0 HJAARN O=C1C[C@H](c2cccc(Br)c2)c2c(n[nH]c2-c2ccc(Cl)cc2)N1 ZINC000035143214 558788483 /nfs/dbraw/zinc/78/84/83/558788483.db2.gz ITOGKOCPOJXAAQ-CQSZACIVSA-N 0 0 402.679 4.967 50 0 HJAARN CN(C(=O)Cc1cccs1)C1(C(=O)Nc2ccccc2)C2CC3CC(C2)CC1C3 ZINC000035170826 558788729 /nfs/dbraw/zinc/78/87/29/558788729.db2.gz NIEZPQCDEVKLED-UHFFFAOYSA-N 0 0 408.567 4.583 50 0 HJAARN Cc1ccc(N2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NC2CCCC2)cc1C ZINC000035482090 558792592 /nfs/dbraw/zinc/79/25/92/558792592.db2.gz GYABZGLIWBSDOP-XMMPIXPASA-N 0 0 421.566 4.798 50 0 HJAARN CC[C@@H](C)N(Cc1ccc(OS(C)(=O)=O)cc1)C(=O)c1ccc2ccccc2c1 ZINC000035776454 558795101 /nfs/dbraw/zinc/79/51/01/558795101.db2.gz NLPWPTWQYWLKBC-QGZVFWFLSA-N 0 0 411.523 4.619 50 0 HJAARN COC(=O)c1cc2c(ncn2C)c(F)c1Nc1ccc(Br)cc1Cl ZINC000036108785 558797814 /nfs/dbraw/zinc/79/78/14/558797814.db2.gz WXGUDZJZWDZKBV-UHFFFAOYSA-N 0 0 412.646 4.659 50 0 HJAARN CC(=O)Nc1cccc(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)c1 ZINC000016705641 558801532 /nfs/dbraw/zinc/80/15/32/558801532.db2.gz DDRFPXCSZHYLJG-UHFFFAOYSA-N 0 0 415.902 4.895 50 0 HJAARN C[C@@H](Cc1ccco1)NC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccc(Cl)cc1)O2 ZINC000032983578 558805213 /nfs/dbraw/zinc/80/52/13/558805213.db2.gz OJTQUCULXVUFEH-OMBDHMDGSA-N 0 0 422.868 4.666 50 0 HJAARN O=C(Cn1nc(COc2ccc(Cl)cc2Cl)oc1=S)Nc1ccccc1 ZINC000016769604 558806374 /nfs/dbraw/zinc/80/63/74/558806374.db2.gz OPRMGIBOEKDGBJ-UHFFFAOYSA-N 0 0 410.282 4.730 50 0 HJAARN O=C(CSc1nccn2nc(-c3ccc(F)cc3)cc12)Nc1ccc(F)cc1F ZINC000016841451 558808181 /nfs/dbraw/zinc/80/81/81/558808181.db2.gz AVUOIGFBWUAUAW-UHFFFAOYSA-N 0 0 414.412 4.544 50 0 HJAARN O=C(c1ccc(Cl)cc1)N1CCC[C@@H](C(=O)N2CCC[C@@H]2c2cccs2)C1 ZINC000032988693 558808242 /nfs/dbraw/zinc/80/82/42/558808242.db2.gz CVIGMCQVVALQMI-SJLPKXTDSA-N 0 0 402.947 4.617 50 0 HJAARN CCn1c(SCC(=O)Nc2ccccc2)nc2c(-c3ccccc3)csc2c1=O ZINC000016845101 558808464 /nfs/dbraw/zinc/80/84/64/558808464.db2.gz KMVXZUMIBWMOTN-UHFFFAOYSA-N 0 0 421.547 4.876 50 0 HJAARN Cc1cc(C)cc(NC(=O)Cn2cnc3c(-c4ccc(F)cc4)csc3c2=O)c1 ZINC000038486541 558811411 /nfs/dbraw/zinc/81/14/11/558811411.db2.gz GIKBICPFYSOOHP-UHFFFAOYSA-N 0 0 407.470 4.520 50 0 HJAARN Cc1c(-c2cc(-c3cnn(C)c3C)n(-c3ccc(Cl)c(Cl)c3)n2)cnn1C ZINC000017082137 558814216 /nfs/dbraw/zinc/81/42/16/558814216.db2.gz PQEMPBXJEBDNQP-UHFFFAOYSA-N 0 0 401.301 4.597 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)c1cc2cc(Br)ccc2oc1=N ZINC000017087781 558816574 /nfs/dbraw/zinc/81/65/74/558816574.db2.gz OODUPBDTYHCJJZ-UHFFFAOYSA-N 0 0 407.651 4.589 50 0 HJAARN COc1cccc(-c2nn(Cn3cc(Cl)cn3)c(-c3cccc(OC)c3)c2C)c1 ZINC000017088131 558817031 /nfs/dbraw/zinc/81/70/31/558817031.db2.gz WQKBGAUSDQBVSR-UHFFFAOYSA-N 0 0 408.889 4.898 50 0 HJAARN Cc1ccc(-c2nc(CSc3nnc(-c4ccc5c(c4)OCO5)n3C)cs2)cc1 ZINC000017093191 558821573 /nfs/dbraw/zinc/82/15/73/558821573.db2.gz ZPILFAYDRNWYIV-UHFFFAOYSA-N 0 0 422.535 4.935 50 0 HJAARN COc1cc(-c2nnc(SCc3ccc(F)cc3Cl)n2C)cc(OC)c1OC ZINC000017093722 558822102 /nfs/dbraw/zinc/82/21/02/558822102.db2.gz QRUHDTZTVHMCSO-UHFFFAOYSA-N 0 0 423.897 4.593 50 0 HJAARN CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1 ZINC000017167169 558824569 /nfs/dbraw/zinc/82/45/69/558824569.db2.gz UTRYIIFWLLCCNW-CCNLRRDASA-N 0 0 410.495 4.539 50 0 HJAARN COc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)C(C)C)cc2s1 ZINC000033000704 558826695 /nfs/dbraw/zinc/82/66/95/558826695.db2.gz RBFLKNNNKRKPJW-UHFFFAOYSA-N 0 0 415.540 4.630 50 0 HJAARN CCCCc1c(C)nn(-c2nc(CC(=O)Nc3ccc(C(C)=O)cc3)cs2)c1C ZINC000033004508 558827209 /nfs/dbraw/zinc/82/72/09/558827209.db2.gz SNWOGWNJVPCJJW-UHFFFAOYSA-N 0 0 410.543 4.672 50 0 HJAARN CCC(=O)Nc1nc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2s1 ZINC000033007543 558828314 /nfs/dbraw/zinc/82/83/14/558828314.db2.gz PFASUOBVOVKCEX-UHFFFAOYSA-N 0 0 403.529 4.569 50 0 HJAARN CCCCOc1ccc(C2=NC(=CNc3ccc(OC)c(Cl)c3)C(=O)O2)cc1 ZINC000004590669 558829118 /nfs/dbraw/zinc/82/91/18/558829118.db2.gz GGFOBRJUXMZNCN-AQTBWJFISA-N 0 0 400.862 4.784 50 0 HJAARN COc1ccc(CC(=O)Nc2ccccc2-c2nc(-c3ccccc3)no2)cc1OC ZINC000033012659 558832431 /nfs/dbraw/zinc/83/24/31/558832431.db2.gz CTZDGCFDXPYRHF-UHFFFAOYSA-N 0 0 415.449 4.602 50 0 biogenic HJAARN CC(=O)C1=C(C)NC(SCC(=O)c2ccccc2)=C(C#N)[C@H]1c1sccc1C ZINC000001199139 558837281 /nfs/dbraw/zinc/83/72/81/558837281.db2.gz IOGJWWAXGCHLQO-HXUWFJFHSA-N 0 0 408.548 4.958 50 0 HJAARN Cc1sc(-c2nc(-c3cccc(Cl)c3)no2)cc1S(=O)(=O)N1CCCCC1 ZINC000046141469 558840027 /nfs/dbraw/zinc/84/00/27/558840027.db2.gz AWXKFAUNZISIBA-UHFFFAOYSA-N 0 0 423.947 4.602 50 0 HJAARN O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccccn2)N1CCc1c[nH]c2ccccc12 ZINC000013548825 558843001 /nfs/dbraw/zinc/84/30/01/558843001.db2.gz ZOHJLVMKIBIMIN-VWLOTQADSA-N 0 0 419.488 4.741 50 0 HJAARN O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccccn2)N1CCc1c[nH]c2ccccc12 ZINC000013548827 558843065 /nfs/dbraw/zinc/84/30/65/558843065.db2.gz ZOHJLVMKIBIMIN-RUZDIDTESA-N 0 0 419.488 4.741 50 0 HJAARN Cc1ccn2c(=O)cc(CSc3ccccc3NC(=O)c3ccc(F)cc3)nc2c1 ZINC000033025947 558847050 /nfs/dbraw/zinc/84/70/50/558847050.db2.gz KHJYXFSGPJJVLL-UHFFFAOYSA-N 0 0 419.481 4.687 50 0 HJAARN Cc1c([C@@H](C)NCc2sc(N3CCCC3)nc2Cl)cnn1-c1cccc(F)c1 ZINC000019227748 558852750 /nfs/dbraw/zinc/85/27/50/558852750.db2.gz HSLXHXWVYSVJSC-CYBMUJFWSA-N 0 0 419.957 4.881 50 0 HJAARN O=C(N[C@H](N1CCCCC1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1Cl ZINC000019227792 558852984 /nfs/dbraw/zinc/85/29/84/558852984.db2.gz NMTANWAZEVQEEN-CYBMUJFWSA-N 0 0 404.552 4.905 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)CCCn1c(=O)c2cccn2c2ccc(F)cc21 ZINC000033031613 558854679 /nfs/dbraw/zinc/85/46/79/558854679.db2.gz GBPWZNNHURKIBJ-UHFFFAOYSA-N 0 0 411.864 4.774 50 0 HJAARN CSc1cccc(NC(=O)CCCn2c(=O)c3cccn3c3ccc(F)cc32)c1 ZINC000033031672 558855592 /nfs/dbraw/zinc/85/55/92/558855592.db2.gz ACWLOKSWIYZLOR-UHFFFAOYSA-N 0 0 409.486 4.534 50 0 HJAARN COc1ccc(-c2c(=O)c3ccc4c(c3oc2C(F)(F)F)CN(C2CC2)CO4)cc1 ZINC000013691160 558855830 /nfs/dbraw/zinc/85/58/30/558855830.db2.gz UBCVLAHLOJHAOZ-UHFFFAOYSA-N 0 0 417.383 4.802 50 0 HJAARN CCC(=O)Nc1ccccc1Sc1nc(Br)nn1Cc1ccccc1 ZINC000033036154 558860173 /nfs/dbraw/zinc/86/01/73/558860173.db2.gz YXLJGNQSJWHDKQ-UHFFFAOYSA-N 0 0 417.332 4.589 50 0 HJAARN COc1cccc(OC)c1C(=O)OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 ZINC000011136382 558860624 /nfs/dbraw/zinc/86/06/24/558860624.db2.gz PFXFWISWZSWELL-DEOSSOPVSA-N 0 0 424.424 4.808 50 0 HJAARN CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)N2CCCC[C@@H]2C)cc1 ZINC000033037047 558861205 /nfs/dbraw/zinc/86/12/05/558861205.db2.gz FTIDMTKEZLBEIN-KRWDZBQOSA-N 0 0 416.525 4.821 50 0 HJAARN O=C(NCc1ccc(F)c(Cl)c1)c1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000072328205 558863061 /nfs/dbraw/zinc/86/30/61/558863061.db2.gz CVHVWXJYBCXJEH-UHFFFAOYSA-N 0 0 408.658 4.562 50 0 HJAARN C[C@@H](C(=O)c1ccccc1)[C@]1(O)c2ccccc2N(Cc2cccc(Cl)c2)C1=O ZINC000068713106 558864350 /nfs/dbraw/zinc/86/43/50/558864350.db2.gz VJZUDPDBUWZMHP-FYSMJZIKSA-N 0 0 405.881 4.593 50 0 HJAARN CCCCOc1ccc(-c2n[nH]cc2C(=O)NCc2ccc(F)c(Cl)c2)cc1 ZINC000072328997 558864513 /nfs/dbraw/zinc/86/45/13/558864513.db2.gz QRKNQEGUEOEKIO-UHFFFAOYSA-N 0 0 401.869 4.978 50 0 HJAARN CCOc1ccc(-c2n[nH]cc2C(=O)NCc2ccc(OC(C)C)cc2)cc1Cl ZINC000072329358 558864924 /nfs/dbraw/zinc/86/49/24/558864924.db2.gz MMSCSRHXPIZWEY-UHFFFAOYSA-N 0 0 413.905 4.846 50 0 HJAARN Cc1cccc(-n2c(S[C@@H]3CCCCNC3=O)nnc2-c2ccc(Cl)cc2)c1 ZINC000022201742 558865327 /nfs/dbraw/zinc/86/53/27/558865327.db2.gz XRGSQXZZUKYOGW-GOSISDBHSA-N 0 0 412.946 4.657 50 0 HJAARN CCCCOc1ccc(-c2cc(C(=O)NCc3ccc(OCCC)cc3)[nH]n2)cc1 ZINC000072331552 558868013 /nfs/dbraw/zinc/86/80/13/558868013.db2.gz YISSCKPJEONQIU-UHFFFAOYSA-N 0 0 407.514 4.974 50 0 HJAARN CC(C)CNC(=O)c1ccc2c(c1)nc(SCc1ccccc1)n(CC(C)C)c2=O ZINC000033077003 558868469 /nfs/dbraw/zinc/86/84/69/558868469.db2.gz PJBAXGTZPYADMO-UHFFFAOYSA-N 0 0 423.582 4.731 50 0 HJAARN Cc1ccc(C)c(C(=O)CSc2nccn(-c3cccc4ccccc43)c2=O)c1 ZINC000033039864 558869068 /nfs/dbraw/zinc/86/90/68/558869068.db2.gz PXXYSYOEIDCUMQ-UHFFFAOYSA-N 0 0 400.503 4.978 50 0 HJAARN CCCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2n[nH]c(-c3ccc(F)cc3)c21 ZINC000033085675 558870420 /nfs/dbraw/zinc/87/04/20/558870420.db2.gz VMMQYBWPUSHUSL-UHFFFAOYSA-N 0 0 418.472 4.970 50 0 HJAARN Cc1ccc(NC(=O)c2nc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)c(C)c1 ZINC000033088579 558871621 /nfs/dbraw/zinc/87/16/21/558871621.db2.gz BBDGITOLGFGOBV-UHFFFAOYSA-N 0 0 417.416 4.741 50 0 HJAARN CC(C)c1ccccc1NC(=O)CCC(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000055088980 558871780 /nfs/dbraw/zinc/87/17/80/558871780.db2.gz HGILSKLSVGFYMH-GOSISDBHSA-N 0 0 404.514 4.592 50 0 HJAARN CCc1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@@H]3C)cc1 ZINC000033089198 558871984 /nfs/dbraw/zinc/87/19/84/558871984.db2.gz XPILTDCKWFZJAC-LBPRGKRZSA-N 0 0 411.299 4.696 50 0 HJAARN c1cc([C@H]2CCCO2)sc1CN(Cc1cccnc1)Cc1ccc2c(c1)OCO2 ZINC000055099439 558872251 /nfs/dbraw/zinc/87/22/51/558872251.db2.gz IFSWHDWUWPBRHW-OAQYLSRUSA-N 0 0 408.523 4.926 50 0 HJAARN COc1ccc(-n2c(/C=C/c3cccc(O)c3)nc3ccccc3c2=O)cc1Cl ZINC000004659528 558873195 /nfs/dbraw/zinc/87/31/95/558873195.db2.gz ICETZVDSYYULNB-FMIVXFBMSA-N 0 0 404.853 4.924 50 0 HJAARN CCCN(CCC)c1ccc(C(=O)OC)cc1NC(=S)Nc1ccccc1OC ZINC000004669074 558876973 /nfs/dbraw/zinc/87/69/73/558876973.db2.gz XFNYQBDNLIESEN-UHFFFAOYSA-N 0 0 415.559 4.917 50 0 HJAARN CCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)Nc2ccc(F)cc2)cc1 ZINC000033122147 558878988 /nfs/dbraw/zinc/87/89/88/558878988.db2.gz YTKVYDDJDBXOEB-UHFFFAOYSA-N 0 0 422.489 4.929 50 0 HJAARN Cc1cc(Sc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)n2ncnc2n1 ZINC000033122087 558879007 /nfs/dbraw/zinc/87/90/07/558879007.db2.gz UFSBHFBECYWEOZ-UHFFFAOYSA-N 0 0 410.890 4.881 50 0 HJAARN Cc1cccc(-n2cc(CN(C)[C@H](C)c3ccncn3)c(-c3cccc(F)c3)n2)c1 ZINC000055385835 558880851 /nfs/dbraw/zinc/88/08/51/558880851.db2.gz GAZSZYRSNSFEFV-GOSISDBHSA-N 0 0 401.489 4.970 50 0 HJAARN O=C(Nc1ccc(Cl)cc1)N[C@@H](C(=O)N1CCc2ccccc21)c1ccccc1 ZINC000033127819 558881142 /nfs/dbraw/zinc/88/11/42/558881142.db2.gz GMVOHKCJIUKFJC-OAQYLSRUSA-N 0 0 405.885 4.792 50 0 HJAARN Cc1cc(C)cc(NC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)c1 ZINC000033128104 558881776 /nfs/dbraw/zinc/88/17/76/558881776.db2.gz BAMIHJPYJXXOHG-GOSISDBHSA-N 0 0 407.539 4.585 50 0 HJAARN CCOc1ccccc1NC(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CC2 ZINC000033128730 558882623 /nfs/dbraw/zinc/88/26/23/558882623.db2.gz MCDZBQLNRJNCTK-UHFFFAOYSA-N 0 0 401.466 4.932 50 0 HJAARN COc1cccc(CNC(=O)c2ccc(-c3ccc(Oc4ccccc4)nn3)cc2)c1 ZINC000033130964 558887559 /nfs/dbraw/zinc/88/75/59/558887559.db2.gz QJSYLCOBWDZLIT-UHFFFAOYSA-N 0 0 411.461 4.875 50 0 biogenic HJAARN COc1ccc(Oc2ccc(-c3cccc(C(=O)NCc4ccc(C)o4)c3)nn2)cc1 ZINC000033130992 558887577 /nfs/dbraw/zinc/88/75/77/558887577.db2.gz PYYDWBSKYVNLJP-UHFFFAOYSA-N 0 0 415.449 4.776 50 0 HJAARN COc1cccc(NC(=O)CSc2nc(-c3cc4ccccc4oc3=O)cs2)c1 ZINC000057523643 558888945 /nfs/dbraw/zinc/88/89/45/558888945.db2.gz SBROZMUIXVLCKR-UHFFFAOYSA-N 0 0 424.503 4.656 50 0 HJAARN CCc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(F)cc4)cc23)cc1 ZINC000057511107 558888997 /nfs/dbraw/zinc/88/89/97/558888997.db2.gz YIKCARSBHNLVIB-UHFFFAOYSA-N 0 0 406.486 4.829 50 0 HJAARN CCN(CCCNC(=O)c1ccccc1-c1nc(C(C)(C)C)no1)c1ccccc1 ZINC000060369767 558890740 /nfs/dbraw/zinc/89/07/40/558890740.db2.gz VGLTUPFIKPOROR-UHFFFAOYSA-N 0 0 406.530 4.681 50 0 HJAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCC(c2noc(-c3cccc(F)c3)n2)CC1 ZINC000033139597 558891173 /nfs/dbraw/zinc/89/11/73/558891173.db2.gz JQOMWNJIOQMFBV-UHFFFAOYSA-N 0 0 419.378 4.914 50 0 HJAARN Cc1cc2n(n1)[C@@H](c1ccc(Br)cc1)C(C(=O)Nc1ccccc1)=C(C)N2 ZINC000072332696 558893052 /nfs/dbraw/zinc/89/30/52/558893052.db2.gz SDKWNTAWASBBBH-FQEVSTJZSA-N 0 0 423.314 4.882 50 0 HJAARN C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000057994968 558893411 /nfs/dbraw/zinc/89/34/11/558893411.db2.gz MYRNJIQMNYQWDR-YPMHNXCESA-N 0 0 415.342 4.563 50 0 HJAARN O=C(CSCc1ccc(F)cc1Br)NCc1ccc(Cl)cc1 ZINC000058006736 558894655 /nfs/dbraw/zinc/89/46/55/558894655.db2.gz CGLJPXGLIKUMOK-UHFFFAOYSA-N 0 0 402.716 4.791 50 0 HJAARN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(Br)cc1 ZINC000004684692 558895231 /nfs/dbraw/zinc/89/52/31/558895231.db2.gz VOILQDIITWSYKB-GOSISDBHSA-N 0 0 412.287 4.651 50 0 HJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000058014329 558895305 /nfs/dbraw/zinc/89/53/05/558895305.db2.gz DPACDMOKVQUKPS-UHFFFAOYSA-N 0 0 424.863 4.617 50 0 HJAARN O=C(CCCNc1ccnc2cc(Cl)ccc21)NCCc1cccc2cccnc21 ZINC000058061787 558897292 /nfs/dbraw/zinc/89/72/92/558897292.db2.gz ZDWJKMKACFQSHW-UHFFFAOYSA-N 0 0 418.928 4.987 50 0 HJAARN C[C@H](NC(=O)[C@H]1CCCN(c2nccnc2Sc2ccccc2)C1)c1ccccc1 ZINC000033168805 558898393 /nfs/dbraw/zinc/89/83/93/558898393.db2.gz CBDMQVATBCXOOH-ICSRJNTNSA-N 0 0 418.566 4.722 50 0 HJAARN CCN1c2ccc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2CCC1=O ZINC000033173160 558901431 /nfs/dbraw/zinc/90/14/31/558901431.db2.gz DTYSXUAPBQVIOP-UHFFFAOYSA-N 0 0 412.555 4.834 50 0 HJAARN Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)Nc1cc(C)ccc1C ZINC000033173831 558902129 /nfs/dbraw/zinc/90/21/29/558902129.db2.gz UXSUTDAWFCKVBY-UHFFFAOYSA-N 0 0 415.462 4.883 50 0 HJAARN CCOc1ccc(-c2nc(C[S@@](=O)Cc3ccccc3F)cs2)cc1OC ZINC000058158020 558903659 /nfs/dbraw/zinc/90/36/59/558903659.db2.gz MKJSFGWMUBDYQV-HHHXNRCGSA-N 0 0 405.516 4.805 50 0 HJAARN CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1ccccc1Cl ZINC000004691255 558905222 /nfs/dbraw/zinc/90/52/22/558905222.db2.gz YJODESUIRBPNBB-AWEZNQCLSA-N 0 0 400.935 4.588 50 0 HJAARN Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)CC(=O)Nc2ccccc2Cl)cc1 ZINC000058162361 558906101 /nfs/dbraw/zinc/90/61/01/558906101.db2.gz HZFKLECNTVWLOL-QHCPKHFHSA-N 0 0 421.928 4.899 50 0 HJAARN COc1ccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c(OC)c1 ZINC000010659455 558907053 /nfs/dbraw/zinc/90/70/53/558907053.db2.gz OZIWMDZBFZCEBX-UHFFFAOYSA-N 0 0 406.442 4.542 50 0 HJAARN CC(=O)Nc1sc2c(c1CN1CCN(c3ccccc3Cl)CC1)CCCC2 ZINC000058167666 558907467 /nfs/dbraw/zinc/90/74/67/558907467.db2.gz VGIREBHMPOCQDU-UHFFFAOYSA-N 0 0 403.979 4.561 50 0 HJAARN CCN(C(=O)NCc1cccc(OC[C@H]2CCCO2)c1)[C@H](C)c1ccc(F)cc1 ZINC000058168884 558907742 /nfs/dbraw/zinc/90/77/42/558907742.db2.gz OFKCGBQORNBDEV-VGOFRKELSA-N 0 0 400.494 4.676 50 0 HJAARN O=C(CN[C@@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(N2CCCC2)cc1 ZINC000058176685 558909591 /nfs/dbraw/zinc/90/95/91/558909591.db2.gz LEOGSTGNLLVCQO-HSZRJFAPSA-N 0 0 409.530 4.805 50 0 HJAARN O=S(=O)(Cc1csc(-c2cccs2)n1)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000058175684 558909600 /nfs/dbraw/zinc/90/96/00/558909600.db2.gz YJGMHJCSVQENPZ-UHFFFAOYSA-N 0 0 420.512 4.781 50 0 HJAARN CCOc1ccc2ccccc2c1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2)C1=O ZINC000004702329 558910111 /nfs/dbraw/zinc/91/01/11/558910111.db2.gz PJDMMKZUPHRLHO-MOSHPQCFSA-N 0 0 406.869 4.985 50 0 HJAARN COc1ccc2cc(C(=O)N(C)CCCc3cc(-c4ccccc4)no3)c(C)nc2c1 ZINC000058196092 558910982 /nfs/dbraw/zinc/91/09/82/558910982.db2.gz ZHZMSQOMPBQJNQ-UHFFFAOYSA-N 0 0 415.493 4.912 50 0 HJAARN CCC[C@H](NC(=O)NCC(=O)Nc1ccc(Br)cc1C)c1cccs1 ZINC000058223051 558913230 /nfs/dbraw/zinc/91/32/30/558913230.db2.gz MZVKRUIPVTYBSY-HNNXBMFYSA-N 0 0 424.364 4.598 50 0 HJAARN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2cccc(OC)c2)cc1 ZINC000004715834 558915284 /nfs/dbraw/zinc/91/52/84/558915284.db2.gz MRGNQPRYOOUDBA-WIOPSUGQSA-N 0 0 416.477 4.955 50 0 HJAARN O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000058297978 558917603 /nfs/dbraw/zinc/91/76/03/558917603.db2.gz JIXXECAYDBIUIV-MRXNPFEDSA-N 0 0 420.900 4.820 50 0 HJAARN Cc1cccc2c(=O)n(CCC(=O)Nc3cccc(Cl)c3SC(F)F)cnc12 ZINC000058323548 558919387 /nfs/dbraw/zinc/91/93/87/558919387.db2.gz ODAGBUBORQNUKT-UHFFFAOYSA-N 0 0 423.872 4.702 50 0 HJAARN CC[C@@H](C(=O)Nc1ccccc1)n1c2cc(C)c(C)cc2nc(C(F)(F)F)c1=O ZINC000033251186 558919728 /nfs/dbraw/zinc/91/97/28/558919728.db2.gz AHIPUDQWDLFYLT-INIZCTEOSA-N 0 0 403.404 4.622 50 0 HJAARN COc1ccc(OC)c(NC(=O)c2ccccc2-c2nc(-c3ccccc3)no2)c1 ZINC000033252367 558920636 /nfs/dbraw/zinc/92/06/36/558920636.db2.gz YTKKKKPOIMNJLM-UHFFFAOYSA-N 0 0 401.422 4.673 50 0 HJAARN COc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccccc3)no2)cc1OC ZINC000033252351 558920660 /nfs/dbraw/zinc/92/06/60/558920660.db2.gz LTQUESPBTHUPBR-UHFFFAOYSA-N 0 0 401.422 4.673 50 0 HJAARN O=C(Cc1cnn(-c2ccccc2)c1)N1CCC[C@@H]1c1cccc(Br)c1 ZINC000058358102 558921673 /nfs/dbraw/zinc/92/16/73/558921673.db2.gz MOTHEOFCMPJKHU-HXUWFJFHSA-N 0 0 410.315 4.541 50 0 HJAARN COc1ccc(NC(=O)N2CCC(c3nc(-c4ccccc4Cl)no3)CC2)cc1 ZINC000033255294 558923179 /nfs/dbraw/zinc/92/31/79/558923179.db2.gz HGWISSVBQTUSDE-UHFFFAOYSA-N 0 0 412.877 4.810 50 0 HJAARN CC(C)NC(=O)Nc1ccc(-c2noc(Cc3ccccc3Br)n2)cc1 ZINC000033257160 558924100 /nfs/dbraw/zinc/92/41/00/558924100.db2.gz XZKRFYGFZMRCBC-UHFFFAOYSA-N 0 0 415.291 4.620 50 0 HJAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCC[C@@H]2c2ccccc2C)cc1 ZINC000058413099 558925088 /nfs/dbraw/zinc/92/50/88/558925088.db2.gz PACGISHDDYBCTL-HXUWFJFHSA-N 0 0 406.555 4.978 50 0 HJAARN CCc1nc(-c2ccc(-n3cc(C(=O)Nc4ccc(C)cc4C)c(C)n3)cc2)no1 ZINC000033258532 558925389 /nfs/dbraw/zinc/92/53/89/558925389.db2.gz BDIXMWISYHHDCW-UHFFFAOYSA-N 0 0 401.470 4.662 50 0 HJAARN COc1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c32)cc1OC(F)F ZINC000058441078 558927640 /nfs/dbraw/zinc/92/76/40/558927640.db2.gz BHVMJUQFGWUIFR-UHFFFAOYSA-N 0 0 415.352 4.654 50 0 HJAARN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000059321202 558933986 /nfs/dbraw/zinc/93/39/86/558933986.db2.gz ILELCOVMHSBNRV-JXFKEZNVSA-N 0 0 407.518 4.585 50 0 HJAARN CCOc1cccc([C@@H](C)NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c1 ZINC000060183063 558941694 /nfs/dbraw/zinc/94/16/94/558941694.db2.gz ZUIVNXARPYRFBJ-DVECYGJZSA-N 0 0 416.521 4.824 50 0 HJAARN Cc1ccc(C)c([C@@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)c1 ZINC000021784317 558949574 /nfs/dbraw/zinc/94/95/74/558949574.db2.gz JZDHONHWJGDOQD-SFHVURJKSA-N 0 0 405.523 4.874 50 0 HJAARN Cc1ccccc1CSc1nc2c(c(=O)[nH]1)[C@H](c1cc(F)cc(F)c1)CC(=O)N2 ZINC000021784837 558949939 /nfs/dbraw/zinc/94/99/39/558949939.db2.gz PQGAQSFCZWYZHF-INIZCTEOSA-N 0 0 413.449 4.535 50 0 HJAARN COc1ccccc1OCCCCn1c2ccccc2nc1[C@@H]1CCCN1C(C)=O ZINC000021787457 558950575 /nfs/dbraw/zinc/95/05/75/558950575.db2.gz ARSQANOVIXCKTB-NRFANRHFSA-N 0 0 407.514 4.588 50 0 HJAARN CCN1c2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)ccc2C(=O)N2CCCC[C@H]12 ZINC000097944090 558950977 /nfs/dbraw/zinc/95/09/77/558950977.db2.gz WFGXVVDMOHMCIU-LJQANCHMSA-N 0 0 417.431 4.750 50 0 HJAARN Cc1ccc(NC(=S)NN2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000019682526 558957086 /nfs/dbraw/zinc/95/70/86/558957086.db2.gz XMOKZRPDLXBTHS-UHFFFAOYSA-N 0 0 414.578 4.584 50 0 HJAARN Cc1cccc(NC(=O)Nc2ccc(OCc3cc(=O)n4cc(C)ccc4n3)cc2)c1 ZINC000033068195 558958577 /nfs/dbraw/zinc/95/85/77/558958577.db2.gz BOTQYYVXYDZGRG-UHFFFAOYSA-N 0 0 414.465 4.534 50 0 HJAARN Cc1ccccc1N1C(=O)c2cc3ccsc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000064662213 558965162 /nfs/dbraw/zinc/96/51/62/558965162.db2.gz SUPMMGUZDDHCTB-XMMPIXPASA-N 0 0 421.566 4.879 50 0 HJAARN Cc1cc(Nc2ccc(NC(=O)c3c(F)cccc3F)cc2)nc(N2CCCC2)n1 ZINC000064800859 558966108 /nfs/dbraw/zinc/96/61/08/558966108.db2.gz XIUTVXAMKZSRBK-UHFFFAOYSA-N 0 0 409.440 4.659 50 0 HJAARN COc1ccc(NC(=O)c2ccc3oc(=O)n(Cc4ccc(C)cc4)c3c2)cc1Cl ZINC000064894556 558967270 /nfs/dbraw/zinc/96/72/70/558967270.db2.gz DHMUASWABZOQCS-UHFFFAOYSA-N 0 0 422.868 4.866 50 0 HJAARN O=c1c2ccccc2c(-c2nc(-c3ccccc3Cl)no2)nn1-c1ccccc1 ZINC000064949548 558967619 /nfs/dbraw/zinc/96/76/19/558967619.db2.gz UNORJYCOEQZISI-UHFFFAOYSA-N 0 0 400.825 4.756 50 0 HJAARN CCOc1ccc(-n2nc(-c3nc(-c4ccccc4)no3)c3ccccc3c2=O)cc1 ZINC000064949791 558967904 /nfs/dbraw/zinc/96/79/04/558967904.db2.gz RPBSAICDRJVUHX-UHFFFAOYSA-N 0 0 410.433 4.501 50 0 HJAARN COc1ccc(S(=O)(=O)N2CCCCC[C@H]2c2ccccc2Cl)cc1OC ZINC000064984098 558968395 /nfs/dbraw/zinc/96/83/95/558968395.db2.gz ATCNCLHMQBPPBV-SFHVURJKSA-N 0 0 409.935 4.663 50 0 HJAARN CCOc1ccc(CNS(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)cc1 ZINC000065004555 558969186 /nfs/dbraw/zinc/96/91/86/558969186.db2.gz TUWVSJZZTIJWMA-UHFFFAOYSA-N 0 0 418.540 4.548 50 0 HJAARN COc1ccc(Oc2ccc(-c3noc(CNC(=O)c4ccc(C)cc4)n3)cc2)cc1 ZINC000065005231 558969691 /nfs/dbraw/zinc/96/96/91/558969691.db2.gz AQBRNCSQGMAYKW-UHFFFAOYSA-N 0 0 415.449 4.776 50 0 HJAARN O=C(Nc1ccc(Cl)cn1)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915282 558971658 /nfs/dbraw/zinc/97/16/58/558971658.db2.gz FEEWINCNBXUGCP-UHFFFAOYSA-N 0 0 420.900 4.824 50 0 HJAARN COc1cccc(NC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)c1 ZINC000021914998 558971735 /nfs/dbraw/zinc/97/17/35/558971735.db2.gz YDOKHXVCFFPLBV-UHFFFAOYSA-N 0 0 415.493 4.784 50 0 HJAARN Cc1ccc(CNC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc1 ZINC000021944672 558978656 /nfs/dbraw/zinc/97/86/56/558978656.db2.gz LHBLWRMEDCOFIB-UHFFFAOYSA-N 0 0 404.489 4.551 50 0 biogenic HJAARN Clc1ccc(C2=Nn3c(COc4ccc5c(c4)CCCC5)nnc3SC2)cc1 ZINC000096602184 558981317 /nfs/dbraw/zinc/98/13/17/558981317.db2.gz GRRDZSDLYJLUQA-UHFFFAOYSA-N 0 0 410.930 4.747 50 0 HJAARN CCOc1ccc(CN(Cc2ccccc2)Cc2cc(=O)n3cc(C)sc3n2)cc1 ZINC000033069028 558982621 /nfs/dbraw/zinc/98/26/21/558982621.db2.gz ATOZXVSIWQPHLZ-UHFFFAOYSA-N 0 0 419.550 4.666 50 0 HJAARN CCN(Cc1ccccc1)C(=O)c1cccc([C@@H]2CCCN(C(=O)NC(C)C)C2)c1 ZINC000033264289 558984192 /nfs/dbraw/zinc/98/41/92/558984192.db2.gz BPNIQHOWGYJAHY-HSZRJFAPSA-N 0 0 407.558 4.646 50 0 HJAARN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N=NC1CCCCC1 ZINC000089793185 558986535 /nfs/dbraw/zinc/98/65/35/558986535.db2.gz KZWOTRDNUFXEMJ-UHFFFAOYSA-N 0 0 422.894 4.781 50 0 HJAARN COc1cc(CNC(=O)COc2cccc(C)c2C)ccc1OCc1ccccc1F ZINC000072427739 558988576 /nfs/dbraw/zinc/98/85/76/558988576.db2.gz AHVBKCXXDSHNAA-UHFFFAOYSA-N 0 0 423.484 4.725 50 0 HJAARN CCOc1ccc(C(=O)NCc2ccc(OCc3ccccc3F)c(OC)c2)cc1 ZINC000072427749 558988679 /nfs/dbraw/zinc/98/86/79/558988679.db2.gz QDXGJQWYRSYOKY-UHFFFAOYSA-N 0 0 409.457 4.742 50 0 HJAARN Cc1cc(C)c(NC(=O)Cn2nc(Cc3ccccc3)c3ccccc3c2=O)c(C)c1 ZINC000067621277 558989615 /nfs/dbraw/zinc/98/96/15/558989615.db2.gz TYNRWOWAXORUQR-UHFFFAOYSA-N 0 0 411.505 4.551 50 0 HJAARN Cc1ocnc1C(=O)N1CCOc2c(O)cc(-c3csc4ccccc34)cc2C1 ZINC000067770469 558992673 /nfs/dbraw/zinc/99/26/73/558992673.db2.gz MBCLGUOUZVHHSI-UHFFFAOYSA-N 0 0 406.463 4.605 50 0 HJAARN CC(C)CC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccc4ncccc4c3)nc2)C1 ZINC000067883517 558994438 /nfs/dbraw/zinc/99/44/38/558994438.db2.gz VBXHKNUPFLATMN-OAQYLSRUSA-N 0 0 401.510 4.764 50 0 HJAARN Cc1cc(C)cc(NC(=O)N2CC[C@H](n3c(-c4ccoc4)nc4cccnc43)C2)c1 ZINC000097111607 558995432 /nfs/dbraw/zinc/99/54/32/558995432.db2.gz WAMCSXVQFMMBNP-IBGZPJMESA-N 0 0 401.470 4.787 50 0 HJAARN O=C(NCc1ccc(F)cc1)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 ZINC000022503284 558997652 /nfs/dbraw/zinc/99/76/52/558997652.db2.gz NGUVGILQEVIUEV-UHFFFAOYSA-N 0 0 403.457 4.740 50 0 HJAARN C[C@@H](OC(=O)/C=C\c1cccc2cccnc12)C(=O)Nc1ncc(Cl)cc1Cl ZINC000098003464 559016526 /nfs/dbraw/zinc/01/65/26/559016526.db2.gz AOMYBDLNXJIQCH-QDZRJHCZSA-N 0 0 416.264 4.520 50 0 HJAARN Cc1nc(SCc2ccccc2)[nH]c(=O)c1CC(=O)Nc1ccc(C(C)C)cc1 ZINC000023138473 559019787 /nfs/dbraw/zinc/01/97/87/559019787.db2.gz AUHYKUVAJVKMRA-UHFFFAOYSA-N 0 0 407.539 4.675 50 0 HJAARN COc1ccc(-n2c(C)nc3ccc(NC(=O)c4ccccc4Cl)cc3c2=O)cc1 ZINC000023143831 559020947 /nfs/dbraw/zinc/02/09/47/559020947.db2.gz JIWHHLAHNRAJPQ-UHFFFAOYSA-N 0 0 419.868 4.608 50 0 HJAARN C[C@H](NC(=O)C1CCCCC1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000023181138 559031227 /nfs/dbraw/zinc/03/12/27/559031227.db2.gz NWQBJFCBIOHNOZ-CVDCTZTESA-N 0 0 411.615 4.696 50 0 HJAARN Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)Nc1ccc(Cl)cc1C ZINC000033269654 559032429 /nfs/dbraw/zinc/03/24/29/559032429.db2.gz JGLBDPJODRCWOZ-UHFFFAOYSA-N 0 0 403.891 4.685 50 0 HJAARN Cc1ccc2[nH]c(SCc3noc(CCC(=O)Nc4cc(C)ccc4C)n3)nc2c1 ZINC000033270733 559032526 /nfs/dbraw/zinc/03/25/26/559032526.db2.gz XLGASWRIWJAKGI-UHFFFAOYSA-N 0 0 421.526 4.735 50 0 HJAARN CCOc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)c1 ZINC000033271516 559033028 /nfs/dbraw/zinc/03/30/28/559033028.db2.gz CYFWLDLVJQLJTN-KRWDZBQOSA-N 0 0 418.522 4.972 50 0 HJAARN Cn1cc([C@@H]2c3ccccc3C(=O)N2CC(=O)Nc2ccc(F)cc2)c2ccccc21 ZINC000004734645 559034093 /nfs/dbraw/zinc/03/40/93/559034093.db2.gz BEWCLQFVYXTSRC-DEOSSOPVSA-N 0 0 413.452 4.501 50 0 HJAARN Cc1nc(-c2ccc(C)c(-n3cc(C(=O)Nc4c(C)cccc4C)c(C)n3)c2)no1 ZINC000033275262 559034723 /nfs/dbraw/zinc/03/47/23/559034723.db2.gz HGWRTEGYJWBTPS-UHFFFAOYSA-N 0 0 401.470 4.717 50 0 HJAARN Cc1nc(-c2ccc(C)c(-n3cc(C(=O)Nc4ccccc4Cl)c(C)n3)c2)no1 ZINC000033275298 559034909 /nfs/dbraw/zinc/03/49/09/559034909.db2.gz QYHDAVMNMJJJBW-UHFFFAOYSA-N 0 0 407.861 4.753 50 0 HJAARN COc1ccc(NC(=O)c2ccc(-c3nc(-c4cccc(F)c4)no3)cc2)c(OC)c1 ZINC000033278989 559042407 /nfs/dbraw/zinc/04/24/07/559042407.db2.gz WMDFMASXFHBLOW-UHFFFAOYSA-N 0 0 419.412 4.812 50 0 HJAARN Cc1ccsc1CCNC(=O)c1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000033278980 559042413 /nfs/dbraw/zinc/04/24/13/559042413.db2.gz MIEORGUACSPEFF-UHFFFAOYSA-N 0 0 407.470 4.885 50 0 HJAARN C=Cc1ccc(CSc2nc3c(c(=O)[nH]2)CN(Cc2ccc(OC)cc2)CC3)cc1 ZINC000033287258 559043887 /nfs/dbraw/zinc/04/38/87/559043887.db2.gz QMFVDYXWQVXBRX-UHFFFAOYSA-N 0 0 419.550 4.684 50 0 HJAARN Cc1nc(-c2cccc(-c3noc(C(=O)NCCCc4ccccc4)n3)c2)cs1 ZINC000033283689 559045252 /nfs/dbraw/zinc/04/52/52/559045252.db2.gz DCOQYWDDRHSURU-UHFFFAOYSA-N 0 0 404.495 4.531 50 0 HJAARN CCOc1ccccc1NC(=O)CCc1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC000033283637 559045266 /nfs/dbraw/zinc/04/52/66/559045266.db2.gz HKNMPFCCNZCWSV-UHFFFAOYSA-N 0 0 420.513 4.697 50 0 HJAARN Cc1ccc(NC(=O)CCc2nc(-c3ccc(N4CCC(C)CC4)cc3)no2)cc1F ZINC000033283474 559045283 /nfs/dbraw/zinc/04/52/83/559045283.db2.gz MBTJHVWEVGGECT-UHFFFAOYSA-N 0 0 422.504 4.992 50 0 HJAARN CC1CCC(NC(=O)CCc2nc(-c3ccc(N4CCC(C)CC4)cc3)no2)CC1 ZINC000033283462 559045285 /nfs/dbraw/zinc/04/52/85/559045285.db2.gz TYXLKWYGFFBTPL-UHFFFAOYSA-N 0 0 410.562 4.600 50 0 HJAARN CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2cccc(Br)c2)cc1 ZINC000004746964 559045340 /nfs/dbraw/zinc/04/53/40/559045340.db2.gz UXTJPWIVVPYLAW-LBPRGKRZSA-N 0 0 407.333 4.753 50 0 HJAARN Cc1ccc(N[C@@H]2SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)c1 ZINC000004748406 559046149 /nfs/dbraw/zinc/04/61/49/559046149.db2.gz GGPKOBXPZLNJLE-MRXNPFEDSA-N 0 0 405.317 4.700 50 0 HJAARN Cc1coc2cc3oc(=O)c(CCC(=O)NCCc4ccccc4F)c(C)c3cc12 ZINC000004743730 559046264 /nfs/dbraw/zinc/04/62/64/559046264.db2.gz JWYZCFSFRDMZFJ-UHFFFAOYSA-N 0 0 407.441 4.587 50 0 HJAARN Cc1csc(-c2csc(S(=O)(=O)N3CC=C(c4ccccc4)CC3)c2)n1 ZINC000033297624 559047609 /nfs/dbraw/zinc/04/76/09/559047609.db2.gz XZOBWNRDWDZUQT-UHFFFAOYSA-N 0 0 402.566 4.658 50 0 HJAARN CC(C)Cc1csc(-c2csc(S(=O)(=O)NCc3ccccc3F)c2)n1 ZINC000033297749 559047614 /nfs/dbraw/zinc/04/76/14/559047614.db2.gz JGWMQZCHVLASGJ-UHFFFAOYSA-N 0 0 410.561 4.688 50 0 HJAARN COc1ccc(-c2noc([C@H]3CCCN3C(=O)Nc3ccc(F)c(Cl)c3)n2)cc1 ZINC000004753462 559049485 /nfs/dbraw/zinc/04/94/85/559049485.db2.gz WFRBCGMCFHJCPL-QGZVFWFLSA-N 0 0 416.840 4.907 50 0 HJAARN Cc1cccc(-c2nsc3c2ncn(CC(=O)Nc2ccc(C(C)C)cc2)c3=O)c1 ZINC000033300158 559049784 /nfs/dbraw/zinc/04/97/84/559049784.db2.gz UHOIYIOGJBQJLX-UHFFFAOYSA-N 0 0 418.522 4.591 50 0 HJAARN COc1ccc(-c2nnc(COc3ccc(NC(=O)c4ccsc4)cc3)o2)cc1 ZINC000033308289 559052473 /nfs/dbraw/zinc/05/24/73/559052473.db2.gz MVXVCAWKSAJHNM-UHFFFAOYSA-N 0 0 407.451 4.638 50 0 HJAARN COc1ccc(-c2nnc(COc3ccc(NC(=O)/C=C/c4ccco4)cc3)o2)cc1 ZINC000033308327 559052524 /nfs/dbraw/zinc/05/25/24/559052524.db2.gz PSEVSXMMOHXUKJ-OUKQBFOZSA-N 0 0 417.421 4.569 50 0 HJAARN Cc1cc(C)c(CNC(=O)c2ccc(-c3nccnc3N3CCCC3)cc2)c(C)c1 ZINC000033313077 559055033 /nfs/dbraw/zinc/05/50/33/559055033.db2.gz PJMSTECVNBHIRR-UHFFFAOYSA-N 0 0 400.526 4.599 50 0 HJAARN CCc1ccc([C@@H](C)NC(=O)c2cccc(-c3nccnc3N3CCCC3)c2)cc1 ZINC000033313010 559055035 /nfs/dbraw/zinc/05/50/35/559055035.db2.gz RFSONTUBEWHCAE-GOSISDBHSA-N 0 0 400.526 4.797 50 0 HJAARN O=C(NC[C@H](c1ccc(Cl)cc1)N1CCC(c2ccccc2)=N1)c1ccccc1 ZINC000004770885 559057319 /nfs/dbraw/zinc/05/73/19/559057319.db2.gz QJSNGWARUFIDPR-HSZRJFAPSA-N 0 0 403.913 4.921 50 0 HJAARN Cc1ccc(NC(=O)COc2ccccc2-c2noc(COc3ccccc3)n2)cc1 ZINC000033324974 559058570 /nfs/dbraw/zinc/05/85/70/559058570.db2.gz YKMDUNDOPSEOEH-UHFFFAOYSA-N 0 0 415.449 4.642 50 0 HJAARN CCOc1ccc(NC(=O)CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000033326094 559058983 /nfs/dbraw/zinc/05/89/83/559058983.db2.gz KDIMMSYEDIMCGL-LJQANCHMSA-N 0 0 423.538 4.777 50 0 HJAARN CC1CCN(C(=O)COc2cccc(-c3noc(-c4ccc(Cl)cc4)n3)c2)CC1 ZINC000033327320 559059970 /nfs/dbraw/zinc/05/99/70/559059970.db2.gz MSGFZVAXTRSKNA-UHFFFAOYSA-N 0 0 411.889 4.694 50 0 HJAARN Cc1cccc(-c2nc(CN3CCC(C(=O)Nc4ccc(Cl)c(C)c4)CC3)no2)c1 ZINC000033327698 559060506 /nfs/dbraw/zinc/06/05/06/559060506.db2.gz XKFSREZQGVNMIA-UHFFFAOYSA-N 0 0 424.932 4.858 50 0 HJAARN O=C(Nc1ncc2c(n1)C[C@H](c1ccccc1)CC2=O)c1ccc(Cl)cc1Cl ZINC000004777096 559060694 /nfs/dbraw/zinc/06/06/94/559060694.db2.gz APPDJGRTEAHGLF-ZDUSSCGKSA-N 0 0 412.276 4.948 50 0 HJAARN COc1cccc(C(=O)n2nc(-c3ccco3)nc2NCc2ccc(Cl)cc2)c1 ZINC000004777316 559061024 /nfs/dbraw/zinc/06/10/24/559061024.db2.gz KWQNNGVMFSVTGB-UHFFFAOYSA-N 0 0 408.845 4.501 50 0 HJAARN COc1ccc(C(=O)Nc2nc(C)c(-c3nc(-c4ccc(C)cc4)no3)s2)cc1 ZINC000033331351 559062375 /nfs/dbraw/zinc/06/23/75/559062375.db2.gz HUFFKSSQMVULKS-UHFFFAOYSA-N 0 0 406.467 4.738 50 0 HJAARN COc1ccc(CCNc2nc3ccc(C)cc3cc2-c2noc(C)n2)cc1OC ZINC000033331615 559062517 /nfs/dbraw/zinc/06/25/17/559062517.db2.gz FPTBFUUTKBNVRS-UHFFFAOYSA-N 0 0 404.470 4.573 50 0 HJAARN O=C(Nc1ccc2c(c1)OCO2)c1ccc(O[C@H](F)C(F)(F)C(F)(F)F)cc1 ZINC000004783976 559062915 /nfs/dbraw/zinc/06/29/15/559062915.db2.gz KQTFBFXOTWQVAN-HNNXBMFYSA-N 0 0 407.266 4.540 50 0 HJAARN Cc1ccc(CN2c3ccc(Cl)cc3[C@](O)(CC(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000004784329 559063112 /nfs/dbraw/zinc/06/31/12/559063112.db2.gz OTBTXDVYMAVCBS-RUZDIDTESA-N 0 0 419.908 4.964 50 0 HJAARN O=C(/C=C\c1ccccc1)Nc1ccc2nc(SCC(=O)N3CCCC3)sc2c1 ZINC000033335218 559063334 /nfs/dbraw/zinc/06/33/34/559063334.db2.gz KVEQACTWUKIONE-FLIBITNWSA-N 0 0 423.563 4.663 50 0 HJAARN CCCOc1c(Cl)cc(C(=O)OCc2nnc(-c3ccccc3)o2)cc1OCC ZINC000004800892 559067537 /nfs/dbraw/zinc/06/75/37/559067537.db2.gz UTVTUPLOECOSRL-UHFFFAOYSA-N 0 0 416.861 4.935 50 0 HJAARN COc1cccc(-c2nc(COC(=O)c3cccc(OC(F)F)c3)cs2)c1OC ZINC000011463987 559077674 /nfs/dbraw/zinc/07/76/74/559077674.db2.gz OSFHIJHMFYEWIH-UHFFFAOYSA-N 0 0 421.421 4.786 50 0 HJAARN COc1cccc(C(=O)N2c3ncnn3[C@H](c3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000004815012 559077904 /nfs/dbraw/zinc/07/79/04/559077904.db2.gz PDWQODMSHOYVKR-GOTSBHOMSA-N 0 0 410.477 4.668 50 0 HJAARN O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccccc1Oc1ccccc1 ZINC000011474821 559077931 /nfs/dbraw/zinc/07/79/31/559077931.db2.gz KMABEPSSQJYHJC-UHFFFAOYSA-N 0 0 402.479 4.790 50 0 HJAARN O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OCc1nc2ccccc2s1 ZINC000011516652 559079560 /nfs/dbraw/zinc/07/95/60/559079560.db2.gz QEMMNLYCWPSQGH-UHFFFAOYSA-N 0 0 418.474 4.562 50 0 HJAARN Cc1onc(-c2ccc(Cl)cc2)c1-c1ccn(S(=O)(=O)c2ccc(C)cc2)n1 ZINC000095626678 559087809 /nfs/dbraw/zinc/08/78/09/559087809.db2.gz BHENJTVMMYJPBH-UHFFFAOYSA-N 0 0 413.886 4.712 50 0 HJAARN Cc1ccccc1C(=O)n1nc(-c2cccnc2)nc1NCc1cccc(Cl)c1 ZINC000004816441 559088903 /nfs/dbraw/zinc/08/89/03/559088903.db2.gz WHDBSIKDRVJZKE-UHFFFAOYSA-N 0 0 403.873 4.603 50 0 HJAARN O=C(Oc1ccc(Cl)nc1F)c1cc(Br)ccc1Br ZINC000096034759 559089824 /nfs/dbraw/zinc/08/98/24/559089824.db2.gz PDYIQJSGVJVVOJ-UHFFFAOYSA-N 0 0 409.436 4.618 50 0 HJAARN COc1ccc(/C=C/c2nn3c(nnc3-c3cc4ccccc4o3)s2)cc1OC ZINC000096193958 559101209 /nfs/dbraw/zinc/10/12/09/559101209.db2.gz PFBBQZMHKUARNU-CSKARUKUSA-N 0 0 404.451 4.787 50 0 HJAARN C1OC2(CCCCC2)O[C@H]1[C@@H]1OC2(CCCCC2)O[C@@H]1[C@@H]1COC2(CCCCC2)O1 ZINC000011565571 559110619 /nfs/dbraw/zinc/11/06/19/559110619.db2.gz WGMZNGZBEGHRHH-UJOPUZHASA-N 0 0 422.562 4.582 50 0 HJAARN CCCCC(=O)N1c2ncnn2[C@H](c2ccc(C)cc2)C[C@@H]1c1ccc(OC)cc1 ZINC000004816569 559112749 /nfs/dbraw/zinc/11/27/49/559112749.db2.gz GVNVCLGEGSTYSS-YADHBBJMSA-N 0 0 404.514 4.853 50 0 HJAARN O=C(Cc1csc(COc2ccc(F)cc2)n1)NCC12CC3CC(CC(C3)C1)C2 ZINC000011606815 559113271 /nfs/dbraw/zinc/11/32/71/559113271.db2.gz RTUJBSUGCRXSPH-UHFFFAOYSA-N 0 0 414.546 4.736 50 0 HJAARN COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)C(C)C)c3ncnn32)cc1 ZINC000004816781 559113575 /nfs/dbraw/zinc/11/35/75/559113575.db2.gz HJZYYPSHSVKLCO-UXHICEINSA-N 0 0 410.905 4.664 50 0 HJAARN CCOc1ccccc1C(=O)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000023315576 559116756 /nfs/dbraw/zinc/11/67/56/559116756.db2.gz IYDAOWVVSIRNSF-UHFFFAOYSA-N 0 0 411.889 4.809 50 0 HJAARN COC[C@@H](C)NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023314651 559116993 /nfs/dbraw/zinc/11/69/93/559116993.db2.gz WMXLIHUBDDLGOW-GFCCVEGCSA-N 0 0 404.297 4.815 50 0 HJAARN COC[C@H](C)NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)cc1 ZINC000023314654 559117012 /nfs/dbraw/zinc/11/70/12/559117012.db2.gz WMXLIHUBDDLGOW-LBPRGKRZSA-N 0 0 404.297 4.815 50 0 HJAARN Cc1cccc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000023320785 559125862 /nfs/dbraw/zinc/12/58/62/559125862.db2.gz XOEBPYUKOKRWIA-UHFFFAOYSA-N 0 0 406.476 4.821 50 0 HJAARN Cc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 ZINC000023320708 559125922 /nfs/dbraw/zinc/12/59/22/559125922.db2.gz HUOWWGLXSGGTQP-XMMPIXPASA-N 0 0 406.476 4.821 50 0 HJAARN Cc1cc(C)c(C(=O)N2CCC[C@@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)[nH]1 ZINC000011661482 559127087 /nfs/dbraw/zinc/12/70/87/559127087.db2.gz JKVPMBRNUILDGI-FQEVSTJZSA-N 0 0 415.537 4.581 50 0 HJAARN CCc1cccc(C)c1NC(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000098211330 559127212 /nfs/dbraw/zinc/12/72/12/559127212.db2.gz PMSXLSNFOYSKNC-UHFFFAOYSA-N 0 0 404.445 4.854 50 0 HJAARN CCc1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc(OC)c(F)c2)no1 ZINC000098211397 559127256 /nfs/dbraw/zinc/12/72/56/559127256.db2.gz XRYNRRLQXVDIIN-UHFFFAOYSA-N 0 0 420.444 4.554 50 0 HJAARN O=C(NC1CCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1)c1ccc2cc[nH]c2c1 ZINC000098212660 559127844 /nfs/dbraw/zinc/12/78/44/559127844.db2.gz KTXLCPAEEZMWNJ-UHFFFAOYSA-N 0 0 419.916 4.610 50 0 HJAARN O=C(CCOc1ccccc1-c1ccccc1)NCc1ccc(Cn2ccnc2)cc1 ZINC000046456440 559138133 /nfs/dbraw/zinc/13/81/33/559138133.db2.gz ZGVWZLJYLOYDTA-UHFFFAOYSA-N 0 0 411.505 4.684 50 0 HJAARN C[C@H]1CCc2c(sc3ncnc(N4CCC[C@@H](c5nnc6n5CCCCC6)C4)c23)C1 ZINC000014017344 559143360 /nfs/dbraw/zinc/14/33/60/559143360.db2.gz QUOWRXJZZDSSFE-JKSUJKDBSA-N 0 0 422.602 4.518 50 0 HJAARN O=c1oc2ccccc2c(NC2CCCC2)c1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000101095947 559143366 /nfs/dbraw/zinc/14/33/66/559143366.db2.gz VECGPWQLQOPKBD-UHFFFAOYSA-N 0 0 418.902 4.602 50 0 HJAARN Cc1cc(C)c(NC(=O)CN(C)CC(=O)N[C@H](C)c2ccc3ccccc3c2)c(C)c1 ZINC000014066076 559147678 /nfs/dbraw/zinc/14/76/78/559147678.db2.gz HNOQIKRHSQVJEO-HXUWFJFHSA-N 0 0 417.553 4.513 50 0 HJAARN Cc1nnc(-c2cc(C(C)C)n(-c3ccc(C(=O)N(C)C4CCCCC4)cc3)n2)o1 ZINC000023324336 559149575 /nfs/dbraw/zinc/14/95/75/559149575.db2.gz VOWZJNIZGHDNJJ-UHFFFAOYSA-N 0 0 407.518 4.759 50 0 HJAARN O=C(CS(=O)(=O)c1ccc(Cl)s1)Nc1ccc(Oc2ccccc2)cc1 ZINC000011666507 559149579 /nfs/dbraw/zinc/14/95/79/559149579.db2.gz UEEBVKZSKNSINV-UHFFFAOYSA-N 0 0 407.900 4.606 50 0 HJAARN COc1ccc(NC(=O)NCCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000014105347 559151066 /nfs/dbraw/zinc/15/10/66/559151066.db2.gz RBJQREJJIONIEF-UHFFFAOYSA-N 0 0 405.454 4.638 50 0 HJAARN Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)N[C@H](C)C(C)(C)C)c3)n2)o1 ZINC000023326780 559154611 /nfs/dbraw/zinc/15/46/11/559154611.db2.gz DJSAXVJUUJWJOV-OAHLLOKOSA-N 0 0 409.534 4.594 50 0 HJAARN Cc1nnc(-c2cc(CCC(C)C)n(-c3cccc(C(=O)N(C)CC(C)C)c3)n2)o1 ZINC000023326985 559154690 /nfs/dbraw/zinc/15/46/90/559154690.db2.gz VWWXZEDXBADDRS-UHFFFAOYSA-N 0 0 409.534 4.547 50 0 HJAARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000014187004 559155348 /nfs/dbraw/zinc/15/53/48/559155348.db2.gz XHMAPXYXWXCADS-UHFFFAOYSA-N 0 0 424.426 4.771 50 0 HJAARN Cc1ccc(NC=C(c2nnc(C(F)(F)F)n2-c2ccc(C)cc2)[N+](=O)[O-])cc1 ZINC000100142712 559163784 /nfs/dbraw/zinc/16/37/84/559163784.db2.gz RFISBRLDQMNDCK-WJDWOHSUSA-N 0 0 403.364 4.590 50 0 HJAARN O=C(CSc1nnc(-c2ccco2)o1)N(CCc1ccccc1)Cc1ccccc1 ZINC000004836056 559165892 /nfs/dbraw/zinc/16/58/92/559165892.db2.gz QBYKUFBRPRMJIC-UHFFFAOYSA-N 0 0 419.506 4.693 50 0 HJAARN Cc1nnc(-c2cc(C(C)C)n(-c3cccc(C(=O)N4CCCCCCC4)c3)n2)o1 ZINC000023329394 559167298 /nfs/dbraw/zinc/16/72/98/559167298.db2.gz OEOGCXKZMPVOQQ-UHFFFAOYSA-N 0 0 407.518 4.760 50 0 HJAARN CCCCC(=O)n1nc(-c2ccco2)nc1NCc1ccc(Br)cc1 ZINC000014611223 559171216 /nfs/dbraw/zinc/17/12/16/559171216.db2.gz OFUHOYNTINOOAU-UHFFFAOYSA-N 0 0 403.280 4.743 50 0 HJAARN Cc1occc1-c1nnc(SCC(=O)N[C@H]2CCCC[C@H]2C)n1-c1ccccc1 ZINC000004840893 559171383 /nfs/dbraw/zinc/17/13/83/559171383.db2.gz YQJXPODHAMAEJY-BEFAXECRSA-N 0 0 410.543 4.623 50 0 HJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)C3CCC3)c2)n(-c2cccc(C)c2)n1 ZINC000023333501 559171885 /nfs/dbraw/zinc/17/18/85/559171885.db2.gz XVGDRWCGSIXLFS-UHFFFAOYSA-N 0 0 403.482 4.763 50 0 HJAARN CCOc1ccccc1Nc1nnc(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)s1 ZINC000004843446 559171909 /nfs/dbraw/zinc/17/19/09/559171909.db2.gz AZCANRVULTZDQN-KBPBESRZSA-N 0 0 406.577 4.562 50 0 HJAARN COc1ccc(CN(Cc2nc3cc(C)ccc3o2)C(=O)c2ccccc2OC)cc1 ZINC000023450397 559174682 /nfs/dbraw/zinc/17/46/82/559174682.db2.gz IJYRBSIVIPGEFZ-UHFFFAOYSA-N 0 0 416.477 4.996 50 0 HJAARN CCc1ccc(-n2c(=O)c3ccccc3nc2-c2ccc(OC)c(OC)c2OC)cc1 ZINC000023441664 559175015 /nfs/dbraw/zinc/17/50/15/559175015.db2.gz FUDJGKWENRYYHS-UHFFFAOYSA-N 0 0 416.477 4.641 50 0 HJAARN CC[C@H](C(=O)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1)c1ccccc1 ZINC000220689546 559176408 /nfs/dbraw/zinc/17/64/08/559176408.db2.gz KQWLVGBLFFFMST-MJGOQNOKSA-N 0 0 407.489 4.851 50 0 HJAARN Cc1sc2[nH]c(CN3CCc4ccccc4C3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000023748606 559180850 /nfs/dbraw/zinc/18/08/50/559180850.db2.gz UJQPTLLJARLUIE-UHFFFAOYSA-N 0 0 401.535 4.827 50 0 HJAARN O=C(Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)Nc1ccc(Cl)cc1 ZINC000023802953 559181139 /nfs/dbraw/zinc/18/11/39/559181139.db2.gz MFEJNLIJCCPCLM-UHFFFAOYSA-N 0 0 406.294 4.883 50 0 HJAARN CCN(C(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1ccc2ccccc2c1 ZINC000050380594 559182042 /nfs/dbraw/zinc/18/20/42/559182042.db2.gz AWIOHNZDTYCFEW-UHFFFAOYSA-N 0 0 416.521 4.510 50 0 HJAARN O=C(Nc1ccccc1F)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1 ZINC000011694433 559188166 /nfs/dbraw/zinc/18/81/66/559188166.db2.gz HABLRCWLTMNBIK-UHFFFAOYSA-N 0 0 405.404 4.982 50 0 HJAARN COc1ccc([C@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)c2ccccc2)cc1 ZINC000004871439 559194393 /nfs/dbraw/zinc/19/43/93/559194393.db2.gz SYZMDNSLXOPPRV-JOCHJYFZSA-N 0 0 416.477 4.704 50 0 HJAARN CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(C)C ZINC000004872631 559194695 /nfs/dbraw/zinc/19/46/95/559194695.db2.gz JUJZKJRUARUSDY-SYNKRZKOSA-N 0 0 410.602 4.824 50 0 HJAARN COc1cc2c(C(=O)Nc3cccc(Cl)c3)cn(CC(C)C)c(=O)c2cc1OC ZINC000004874722 559195152 /nfs/dbraw/zinc/19/51/52/559195152.db2.gz XNFPAVJVNWLYSC-UHFFFAOYSA-N 0 0 414.889 4.580 50 0 HJAARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000004880495 559196315 /nfs/dbraw/zinc/19/63/15/559196315.db2.gz NQDMDQSOANWEOP-UHFFFAOYSA-N 0 0 404.445 4.903 50 0 HJAARN CCOc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000004882004 559197077 /nfs/dbraw/zinc/19/70/77/559197077.db2.gz YBFXWORKEFOYQB-BJKOFHAPSA-N 0 0 412.489 4.561 50 0 HJAARN COc1ccc(/C=C2\N=C(SC)N(c3ccc(F)c(Cl)c3)C2=O)c(OC)c1 ZINC000004883259 559197597 /nfs/dbraw/zinc/19/75/97/559197597.db2.gz CUKKEXYYDKYELN-PXNMLYILSA-N 0 0 406.866 4.603 50 0 HJAARN CCOc1ccccc1CN1C(=O)c2ccccc2[C@H]1C(=O)NC1CCCCCC1 ZINC000004894363 559198837 /nfs/dbraw/zinc/19/88/37/559198837.db2.gz OVPYIGMWRIJHIX-QHCPKHFHSA-N 0 0 406.526 4.621 50 0 HJAARN O=C1OC(=CNc2nc(SCc3c(Cl)cccc3Cl)n[nH]2)c2ccccc21 ZINC000100403904 559199172 /nfs/dbraw/zinc/19/91/72/559199172.db2.gz WLYNOLOPFCOHQL-NVNXTCNLSA-N 0 0 419.293 4.985 50 0 HJAARN C[C@@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@H]1C(=O)NCCc1ccccc1 ZINC000004903038 559199996 /nfs/dbraw/zinc/19/99/96/559199996.db2.gz AKDAKVXIAZROFT-CPJSRVTESA-N 0 0 412.533 4.564 50 0 HJAARN CCN(CCCNC(=O)c1cc2c(s1)c1cc(C)ccc1[nH]c2=O)c1ccccc1 ZINC000004905755 559201713 /nfs/dbraw/zinc/20/17/13/559201713.db2.gz ZOERITOKIRVXMK-UHFFFAOYSA-N 0 0 419.550 4.698 50 0 HJAARN CSc1cccc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000004915378 559203554 /nfs/dbraw/zinc/20/35/54/559203554.db2.gz FCQTTYFVDKCRSC-QFIPXVFZSA-N 0 0 404.491 4.904 50 0 HJAARN CCN(C(=O)CCc1nc(-c2ccccc2F)no1)c1cccc(C(F)(F)F)c1 ZINC000004921469 559206872 /nfs/dbraw/zinc/20/68/72/559206872.db2.gz JAZJMNDONYDZFS-UHFFFAOYSA-N 0 0 407.367 4.880 50 0 HJAARN Cc1ccccc1NC(=O)[C@H](CSCc1ccccc1)N1Cc2ccccc2C1=O ZINC000004935164 559210147 /nfs/dbraw/zinc/21/01/47/559210147.db2.gz YPXYQEHCXOFAMF-QHCPKHFHSA-N 0 0 416.546 4.892 50 0 HJAARN C[C@H]1CCN(C(=O)CSc2nnc(Cc3ccccc3)o2)c2ccccc2S1 ZINC000004934356 559211068 /nfs/dbraw/zinc/21/10/68/559211068.db2.gz OYCMMIDOPPTERO-HNNXBMFYSA-N 0 0 411.552 4.670 50 0 HJAARN COc1cccc(Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc(F)ccc32)c1 ZINC000004937217 559212135 /nfs/dbraw/zinc/21/21/35/559212135.db2.gz OKJWTIUOWAPXBJ-UHFFFAOYSA-N 0 0 405.400 4.568 50 0 HJAARN COc1ccc(/C=C/c2nc3ccccc3s2)cc1S(=O)(=O)N1CCCCC1 ZINC000004942373 559213474 /nfs/dbraw/zinc/21/34/74/559213474.db2.gz TXFRZEUDPYLRAI-ZRDIBKRKSA-N 0 0 414.552 4.650 50 0 HJAARN COc1ccc(-c2nn(C)c3sc(C(=O)NCc4ccc(C)cc4)cc23)cc1OC ZINC000005007450 559227656 /nfs/dbraw/zinc/22/76/56/559227656.db2.gz GPEAKSXDKKWOHK-UHFFFAOYSA-N 0 0 421.522 4.557 50 0 HJAARN O=C1Nc2ccc(Cl)cc2[C@@]12Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 ZINC000005010022 559227874 /nfs/dbraw/zinc/22/78/74/559227874.db2.gz TVKBVQFIFYBNEC-NFBKMPQASA-N 0 0 401.853 4.689 50 0 HJAARN Cc1ccc2c(c1)/C(=C/c1nc3ccccc3c(=O)n1-c1ccc(Cl)cc1)C(=O)N2 ZINC000005031275 559230879 /nfs/dbraw/zinc/23/08/79/559230879.db2.gz UOUMLVPVEWGGJV-UYRXBGFRSA-N 0 0 413.864 4.840 50 0 HJAARN Cc1ccc2c(c1)C(=O)O[C@H](C(=O)Nc1ncc(Cc3ccc(C(C)C)cc3)s1)C2 ZINC000005032208 559231324 /nfs/dbraw/zinc/23/13/24/559231324.db2.gz FHNSWDYLIGJIBB-NRFANRHFSA-N 0 0 420.534 4.886 50 0 HJAARN CCOC(=O)C[C@@H](NC(=O)c1cc2c(s1)-c1ccccc1OC2)c1cccs1 ZINC000005051169 559237036 /nfs/dbraw/zinc/23/70/36/559237036.db2.gz FYHMTFWSMNEMOG-OAHLLOKOSA-N 0 0 413.520 4.793 50 0 HJAARN O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc2c(s1)-c1ccccc1OC2 ZINC000005050851 559237039 /nfs/dbraw/zinc/23/70/39/559237039.db2.gz UDBBDLYODZEAMG-UHFFFAOYSA-N 0 0 404.535 4.702 50 0 HJAARN COc1ccccc1NC(=O)CN1c2ccccc2S[C@H](c2ccccc2)CC1=O ZINC000005053011 559237240 /nfs/dbraw/zinc/23/72/40/559237240.db2.gz YCVXMDGUWSPBNJ-QFIPXVFZSA-N 0 0 418.518 4.904 50 0 HJAARN Cc1oc(-c2cccs2)nc1CSCC(=O)NCCc1ccc(Cl)cc1 ZINC000005057740 559238033 /nfs/dbraw/zinc/23/80/33/559238033.db2.gz SMLHDRVPLDVGCR-UHFFFAOYSA-N 0 0 406.960 4.957 50 0 HJAARN Fc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 ZINC000005053755 559238967 /nfs/dbraw/zinc/23/89/67/559238967.db2.gz MCZWQRPBPUICEI-XZOQPEGZSA-N 0 0 414.415 4.769 50 0 HJAARN COc1cc(C(=S)N2CCOCC2)cc(Cl)c1OCc1ccccc1Cl ZINC000033746697 559239615 /nfs/dbraw/zinc/23/96/15/559239615.db2.gz IIPKFUDNHKVLTJ-UHFFFAOYSA-N 0 0 412.338 4.589 50 0 HJAARN CCOc1ccc2nc(N3CCC(C(=O)N[C@H]4CCCC[C@@H]4C)CC3)sc2c1 ZINC000005086119 559242913 /nfs/dbraw/zinc/24/29/13/559242913.db2.gz AVCPPLLNSKUJMQ-YJBOKZPZSA-N 0 0 401.576 4.606 50 0 HJAARN CCN(C(=O)COC(=O)c1nc(Cl)ccc1Cl)c1cccc2ccccc21 ZINC000011711090 559245613 /nfs/dbraw/zinc/24/56/13/559245613.db2.gz LPGZFZSLFLVKMJ-UHFFFAOYSA-N 0 0 403.265 4.752 50 0 HJAARN CCOc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4c(cc(C)cc4C)s3)C2)cc1 ZINC000005107832 559246234 /nfs/dbraw/zinc/24/62/34/559246234.db2.gz ZVCVYPPKARHQMG-LJQANCHMSA-N 0 0 423.582 4.845 50 0 HJAARN COc1ccc(C2=NN(C(=O)CSc3nc(C)cs3)[C@H](c3ccco3)C2)cc1 ZINC000005101564 559246575 /nfs/dbraw/zinc/24/65/75/559246575.db2.gz LSAZBIHHZBJGLG-KRWDZBQOSA-N 0 0 413.524 4.523 50 0 HJAARN O=C1CS[C@H](c2ccc(Cl)cc2Cl)N1c1ccc(Br)cn1 ZINC000005128633 559249038 /nfs/dbraw/zinc/24/90/38/559249038.db2.gz PPEFQGKUWQWDGB-CQSZACIVSA-N 0 0 404.116 4.930 50 0 HJAARN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)c3c2C(=O)C[C@H]3C)c(Br)c1 ZINC000012996567 559251265 /nfs/dbraw/zinc/25/12/65/559251265.db2.gz BHROIDAAVOIZBG-VXGBXAGGSA-N 0 0 420.278 4.993 50 0 HJAARN COc1ccc(C(=O)N(Cc2cccnc2)c2nc3cc(OC)ccc3s2)cc1 ZINC000005142285 559251917 /nfs/dbraw/zinc/25/19/17/559251917.db2.gz BRCKLGNOMXSYQV-UHFFFAOYSA-N 0 0 405.479 4.556 50 0 HJAARN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)N3CCC(C)CC3)c(C)c12 ZINC000005151965 559254027 /nfs/dbraw/zinc/25/40/27/559254027.db2.gz GDBXDJNXTPXTEI-UHFFFAOYSA-N 0 0 404.558 4.845 50 0 HJAARN COC(=O)C1=C(C)N(Cc2ccccc2F)C(=O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000037577400 559254690 /nfs/dbraw/zinc/25/46/90/559254690.db2.gz OFOUIKNZHHQFAA-KRWDZBQOSA-N 0 0 421.390 4.808 50 0 HJAARN Cc1cc(=O)n2c(-c3ccc(NC(=O)Nc4ccc(C)c(F)c4)cc3)csc2n1 ZINC000011771023 559258614 /nfs/dbraw/zinc/25/86/14/559258614.db2.gz JTZPOEFFIMKXDB-UHFFFAOYSA-N 0 0 408.458 4.823 50 0 HJAARN Cc1ccc(-n2c(=O)c3c[nH]nc3nc2SCc2ccccc2F)cc1Cl ZINC000005156375 559258893 /nfs/dbraw/zinc/25/88/93/559258893.db2.gz TUXIRDLLDIQJOC-UHFFFAOYSA-N 0 0 400.866 4.502 50 0 aggregator HJAARN O=C(CCc1csc(NC(=O)c2ccc(F)cc2)n1)Nc1ccc(F)c(Cl)c1 ZINC000011835125 559261073 /nfs/dbraw/zinc/26/10/73/559261073.db2.gz DIHPLQYOAFSBND-UHFFFAOYSA-N 0 0 421.856 4.898 50 0 HJAARN O=C(CCc1csc(NC(=O)c2ccc(Cl)cc2)n1)NCCC1=CCCCC1 ZINC000011835435 559261210 /nfs/dbraw/zinc/26/12/10/559261210.db2.gz HCNWFSNBWYRHRO-UHFFFAOYSA-N 0 0 417.962 4.988 50 0 HJAARN Cc1cccc2sc(NC(=O)c3cc(=O)c(OCc4ccc(F)cc4)co3)nc21 ZINC000011856872 559262437 /nfs/dbraw/zinc/26/24/37/559262437.db2.gz YTHRXXWLIFMHGV-UHFFFAOYSA-N 0 0 410.426 4.528 50 0 HJAARN COc1ccc(C2=Nc3ncnn3[C@@H](c3ccc(Cl)cc3Cl)C2)cc1OC ZINC000100752903 559262582 /nfs/dbraw/zinc/26/25/82/559262582.db2.gz LWXSUEHFUYHXQO-MRXNPFEDSA-N 0 0 403.269 4.658 50 0 HJAARN COc1ccc(NC(=O)c2nc(-c3c(F)cccc3OC)sc2C)cc1OC ZINC000011865756 559263915 /nfs/dbraw/zinc/26/39/15/559263915.db2.gz JWMVEAUQXJALKI-UHFFFAOYSA-N 0 0 402.447 4.536 50 0 HJAARN O=C(Nc1ccccc1)c1nc(SCc2ccc(F)cc2)ncc1Br ZINC000011916313 559267277 /nfs/dbraw/zinc/26/72/77/559267277.db2.gz IGENATGMVSPKKZ-UHFFFAOYSA-N 0 0 418.291 4.923 50 0 HJAARN COc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1Br ZINC000011918028 559268006 /nfs/dbraw/zinc/26/80/06/559268006.db2.gz ADEVBLIXMOZUGU-UHFFFAOYSA-N 0 0 404.260 4.752 50 0 HJAARN COc1ccc(-n2c(/C=C\c3cc(OC)ccc3OC)nc3ccccc3c2=O)cc1 ZINC000033861681 559269937 /nfs/dbraw/zinc/26/99/37/559269937.db2.gz BFRLGQJWEBBIPC-NVNXTCNLSA-N 0 0 414.461 4.582 50 0 HJAARN Cc1nc(SCCCCN2C(=O)c3ccccc3C2=O)cc(-c2ccccc2)n1 ZINC000012016962 559271237 /nfs/dbraw/zinc/27/12/37/559271237.db2.gz UTGMHZYVAWAKSU-UHFFFAOYSA-N 0 0 403.507 4.621 50 0 HJAARN Cc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(F)cc2)no1 ZINC000005163273 559275324 /nfs/dbraw/zinc/27/53/24/559275324.db2.gz CACORSXKIAVBMO-SFHVURJKSA-N 0 0 410.788 4.632 50 0 HJAARN CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)NCCC3=CCCCC3)o2)cc1 ZINC000005170060 559287374 /nfs/dbraw/zinc/28/73/74/559287374.db2.gz JLJNXZAFGPRTJA-HNNXBMFYSA-N 0 0 401.532 4.623 50 0 HJAARN O=C(c1ccc(Cl)cc1Cl)N1CCN(c2nc3ccc(F)cc3s2)CC1 ZINC000005181293 559289655 /nfs/dbraw/zinc/28/96/55/559289655.db2.gz YGXBLSJLCXCEAW-UHFFFAOYSA-N 0 0 410.301 4.705 50 0 HJAARN C[C@@H]1CCCCN1C(=O)COC(=O)c1oc2ccccc2c1COc1ccccc1 ZINC000005185143 559290625 /nfs/dbraw/zinc/29/06/25/559290625.db2.gz CMLUNZPFZLDEOD-QGZVFWFLSA-N 0 0 407.466 4.570 50 0 HJAARN COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)c(OC)c2)c1 ZINC000005186159 559290731 /nfs/dbraw/zinc/29/07/31/559290731.db2.gz ICSNMCWEKQKFEQ-SQJMNOBHSA-N 0 0 416.477 4.955 50 0 HJAARN Oc1ccc2c(c1)Oc1ncn3nc(Cc4ccccc4)nc3c1[C@@H]2c1ccccc1 ZINC000005186994 559290891 /nfs/dbraw/zinc/29/08/91/559290891.db2.gz XXWYIXKREGTTSV-JOCHJYFZSA-N 0 0 406.445 4.707 50 0 HJAARN O=C(Nc1ccc(F)cc1)[C@H](CSCc1ccccc1)N1Cc2ccccc2C1=O ZINC000005189945 559291281 /nfs/dbraw/zinc/29/12/81/559291281.db2.gz GOKVATCZSMJTAK-QFIPXVFZSA-N 0 0 420.509 4.722 50 0 HJAARN NC(=O)c1c(NC(=O)CCSc2ccc(Cl)cc2)sc2c1CCCCC2 ZINC000005191877 559291494 /nfs/dbraw/zinc/29/14/94/559291494.db2.gz DLUFURZCWQMCCA-UHFFFAOYSA-N 0 0 408.976 4.890 50 0 HJAARN COc1ccc(C)cc1NC(=O)[C@@H](Oc1ccc(C(C)=O)cc1OC)c1ccccc1 ZINC000005194371 559291710 /nfs/dbraw/zinc/29/17/10/559291710.db2.gz SXZXSBFPTPSOIU-DEOSSOPVSA-N 0 0 419.477 4.974 50 0 HJAARN CCOC(=O)[C@@H](CC)Oc1ccc2c(c1)occ(Oc1ccccc1Cl)c2=O ZINC000000950722 560180006 /nfs/dbraw/zinc/18/00/06/560180006.db2.gz FHMPOSFSXFAVBF-MRXNPFEDSA-N 0 0 402.830 4.959 50 0 biogenic,in-vitro HJAARN COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2CC(=O)NC2CCCCC2)cc1 ZINC000012420650 560211853 /nfs/dbraw/zinc/21/18/53/560211853.db2.gz JBBLCTXSNSOSSX-AREMUKBSSA-N 0 0 417.553 4.573 50 0 biogenic,in-vitro HJAARN Cc1nc2cc(N(C)C(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)ccc2[nH]1 ZINC000079096842 560541334 /nfs/dbraw/zinc/54/13/34/560541334.db2.gz LGTBOTOYWAEONH-UHFFFAOYSA-N 0 0 401.495 4.857 50 0 HJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(NC(=O)c2ccccc2F)c1 ZINC000005259022 560551046 /nfs/dbraw/zinc/55/10/46/560551046.db2.gz PXJDCJSHPHKADN-UHFFFAOYSA-N 0 0 407.832 4.739 50 0 HJAARN CCOc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2cccc(OC)c2OC)cc1 ZINC000005256253 560552497 /nfs/dbraw/zinc/55/24/97/560552497.db2.gz ROKWBMJNFVWBGP-JOCHJYFZSA-N 0 0 421.497 4.541 50 0 HJAARN COc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2cccc(Cl)c2)cc1OC ZINC000005256260 560552501 /nfs/dbraw/zinc/55/25/01/560552501.db2.gz LPNZTJGUJNDPKP-OAQYLSRUSA-N 0 0 411.889 4.796 50 0 HJAARN CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(Br)cc3)ccc12 ZINC000002330532 560559494 /nfs/dbraw/zinc/55/94/94/560559494.db2.gz JJAUCCUZPJGBPZ-UHFFFAOYSA-N 0 0 416.271 4.526 50 0 HJAARN Cc1ccc(NC(=O)c2cccn(Cc3c(F)cccc3Cl)c2=O)cc1Cl ZINC000005269554 560560339 /nfs/dbraw/zinc/56/03/39/560560339.db2.gz SVHRJXXIPBMLAS-UHFFFAOYSA-N 0 0 405.256 4.903 50 0 HJAARN CCOc1ccccc1NC(=O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000005270265 560560656 /nfs/dbraw/zinc/56/06/56/560560656.db2.gz QVFNSFBGZCUIMS-UHFFFAOYSA-N 0 0 416.399 4.566 50 0 HJAARN Cc1cccc(NC(=O)c2cc3cccnc3n(Cc3ccc(Cl)cc3)c2=O)c1C ZINC000005305496 560563461 /nfs/dbraw/zinc/56/34/61/560563461.db2.gz SGWSMTMHFHNNMI-UHFFFAOYSA-N 0 0 417.896 4.967 50 0 HJAARN CCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(F)c1)N(c1cc(C)on1)C3=O ZINC000005307873 560563685 /nfs/dbraw/zinc/56/36/85/560563685.db2.gz GGYJVMYOHFPBIR-HXUWFJFHSA-N 0 0 404.397 4.541 50 0 HJAARN CC(C)(C)c1cc(NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)on1 ZINC000005315828 560564479 /nfs/dbraw/zinc/56/44/79/560564479.db2.gz JKBGMEYBSMBTGT-UHFFFAOYSA-N 0 0 406.558 4.680 50 0 HJAARN CC[C@@H](C)c1ccccc1NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000005318904 560564597 /nfs/dbraw/zinc/56/45/97/560564597.db2.gz IGCMFYQDWZBBHY-LSDHHAIUSA-N 0 0 409.555 4.735 50 0 HJAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccc(Cl)cc2)N1Cc1ccco1 ZINC000005343407 560568057 /nfs/dbraw/zinc/56/80/57/560568057.db2.gz HVPVWMSNZNCZPF-OAQYLSRUSA-N 0 0 405.841 4.774 50 0 aggregator HJAARN Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000005420318 560584801 /nfs/dbraw/zinc/58/48/01/560584801.db2.gz ZVWPEGBEYMFSLD-QHCPKHFHSA-N 0 0 404.535 4.892 50 0 HJAARN COc1ccc(NC(=O)COc2ccc(Cl)cc2Cc2ccccc2)cc1OC ZINC000002629985 560586314 /nfs/dbraw/zinc/58/63/14/560586314.db2.gz LYVBDYFUCAXWTF-UHFFFAOYSA-N 0 0 411.885 4.966 50 0 HJAARN COc1ccc(-c2cc(C(=O)OCC(=O)C(C)(C)C)c3ccccc3n2)cc1OC ZINC000002628830 560586339 /nfs/dbraw/zinc/58/63/39/560586339.db2.gz JGYJTGWOOUCHQG-UHFFFAOYSA-N 0 0 407.466 4.691 50 0 HJAARN O=C(Nc1cccc(N2CCCCC2=O)c1)c1cc(Br)ccc1Cl ZINC000005441614 560587643 /nfs/dbraw/zinc/58/76/43/560587643.db2.gz VQBXBVMMAUXTRZ-UHFFFAOYSA-N 0 0 407.695 4.872 50 0 HJAARN CCN1C(=O)c2cccc3c2c1ccc3NC(=O)/C=C/c1ccc(Br)o1 ZINC000003169137 560588517 /nfs/dbraw/zinc/58/85/17/560588517.db2.gz NBEFRCYQEAYCLO-YRNVUSSQSA-N 0 0 411.255 4.827 50 0 HJAARN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(Cl)c2C)c1 ZINC000003204961 560588865 /nfs/dbraw/zinc/58/88/65/560588865.db2.gz RHWIGUQJEZIXKX-UHFFFAOYSA-N 0 0 415.342 4.585 50 0 HJAARN O=C(COC(=O)c1cccc(OC(F)F)c1)Nc1ccc(Oc2ccccc2)cc1 ZINC000003249896 560589277 /nfs/dbraw/zinc/58/92/77/560589277.db2.gz ZMLCJXHANPSKEK-UHFFFAOYSA-N 0 0 413.376 4.876 50 0 HJAARN CCOc1ccc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1OCC ZINC000003239192 560590519 /nfs/dbraw/zinc/59/05/19/560590519.db2.gz GXNKPAZENRNLPH-UHFFFAOYSA-N 0 0 412.269 4.586 50 0 HJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1c(F)cccc1F)CC2 ZINC000003282964 560591464 /nfs/dbraw/zinc/59/14/64/560591464.db2.gz HAOBBDDKMHZRLU-OAQYLSRUSA-N 0 0 415.461 4.831 50 0 HJAARN CCc1nnc(NC(=O)c2c(C)c(-c3ccc(OC)cc3)nc3ccccc32)s1 ZINC000005477473 560594486 /nfs/dbraw/zinc/59/44/86/560594486.db2.gz ZSOWZMDCBMZQNI-UHFFFAOYSA-N 0 0 404.495 4.885 50 0 HJAARN N=C1S/C(=C/c2ccc(-c3ccccc3F)o2)C(=O)N1c1ccc2c(c1)OCO2 ZINC000004473833 560606070 /nfs/dbraw/zinc/60/60/70/560606070.db2.gz WTZANBAGZHBRIA-CAWYJTFNSA-N 0 0 408.410 4.870 50 0 HJAARN Cc1cc(=O)c(C(=O)Nc2ccc(Cl)cc2)nn1-c1ccc(Cl)cc1Cl ZINC000005534319 560606196 /nfs/dbraw/zinc/60/61/96/560606196.db2.gz KMGNRFABRHJKHW-UHFFFAOYSA-N 0 0 408.672 4.753 50 0 HJAARN CC(C)c1ccccc1NC(=O)CSc1ncnc2c1cnn2Cc1ccccc1 ZINC000005557233 560613370 /nfs/dbraw/zinc/61/33/70/560613370.db2.gz CXIONOAKTVCLIP-UHFFFAOYSA-N 0 0 417.538 4.729 50 0 HJAARN CCCC(=O)Nc1ccc(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)cc1 ZINC000004961124 560620939 /nfs/dbraw/zinc/62/09/39/560620939.db2.gz SRUOMGIKTXUXNC-UHFFFAOYSA-N 0 0 420.538 4.858 50 0 HJAARN Cc1ccc(Sc2ccc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)cc2)cc1C ZINC000005265552 560625233 /nfs/dbraw/zinc/62/52/33/560625233.db2.gz JPKRFBLUVTXPHF-UHFFFAOYSA-N 0 0 415.518 4.872 50 0 HJAARN Cc1ccc(NC(=O)COC(=O)/C=C/c2cccc(Cl)c2)c(Br)c1 ZINC000005745729 560627442 /nfs/dbraw/zinc/62/74/42/560627442.db2.gz PKWLNBGRABNWMT-SOFGYWHQSA-N 0 0 408.679 4.606 50 0 HJAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1Cc1nc(C2CC2)no1 ZINC000206669282 560627562 /nfs/dbraw/zinc/62/75/62/560627562.db2.gz LBCHFDWDKYXEFN-UHFFFAOYSA-N 0 0 401.388 4.738 50 0 HJAARN O=C(Nc1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1)C1CCC1 ZINC000005652284 560636629 /nfs/dbraw/zinc/63/66/29/560636629.db2.gz CMKHCHXPXIOFQG-UHFFFAOYSA-N 0 0 412.483 4.541 50 0 HJAARN O=C(COC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1)NC1CCCC1 ZINC000005659108 560637063 /nfs/dbraw/zinc/63/70/63/560637063.db2.gz PZQQMAKXFCJUFO-UHFFFAOYSA-N 0 0 420.481 4.961 50 0 HJAARN CCCOc1c(Br)cc(C(=O)Nc2cc(OC)cc(OC)c2)cc1OC ZINC000008855986 560640033 /nfs/dbraw/zinc/64/00/33/560640033.db2.gz AXYBMZKJCBRYNF-UHFFFAOYSA-N 0 0 424.291 4.516 50 0 HJAARN O=C(Cc1csc(SCc2ccc(Br)cc2)n1)NCc1ccco1 ZINC000008854557 560640056 /nfs/dbraw/zinc/64/00/56/560640056.db2.gz JIDFGAKJNTYULU-UHFFFAOYSA-N 0 0 423.357 4.650 50 0 HJAARN COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)CCc2ccccc2)c(OC)c1 ZINC000015953799 560650649 /nfs/dbraw/zinc/65/06/49/560650649.db2.gz LXBRFSSHLGAUPU-ZSQFBXSQSA-N 0 0 423.553 4.531 50 0 biogenic HJAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=S)NC(=O)c1ccccc1 ZINC000017297411 560706232 /nfs/dbraw/zinc/70/62/32/560706232.db2.gz DPSRLALRXOTREV-UHFFFAOYSA-N 0 0 410.520 4.719 50 0 HJAARN CCCCCn1c(=O)c2ccccc2nc1SCc1nc(-c2cccs2)no1 ZINC000017270051 560706569 /nfs/dbraw/zinc/70/65/69/560706569.db2.gz GDSFIDBPJWICIS-UHFFFAOYSA-N 0 0 412.540 4.991 50 0 HJAARN CC(C)(C)c1ccc(O)c(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000017360840 560711652 /nfs/dbraw/zinc/71/16/52/560711652.db2.gz RTSAXNJURVYDAZ-UHFFFAOYSA-N 0 0 414.933 4.834 50 0 HJAARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cnc4c(cnn4C(C)C)c3)cc12 ZINC000017525913 560718143 /nfs/dbraw/zinc/71/81/43/560718143.db2.gz HOIXJASTNXEAKO-UHFFFAOYSA-N 0 0 416.510 4.973 50 0 HJAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccc(O)cc1)c1cn(C(C)C)c3cccc(c13)N2 ZINC000409414078 560723255 /nfs/dbraw/zinc/72/32/55/560723255.db2.gz NEZVPTHYALPYIS-OAQYLSRUSA-N 0 0 401.466 4.778 50 0 HJAARN O=C(NCc1ccccc1)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 ZINC000001163275 560727458 /nfs/dbraw/zinc/72/74/58/560727458.db2.gz CXWQDQWLYLYUJY-UHFFFAOYSA-N 0 0 417.472 4.684 50 0 HJAARN O=C(CCCc1c[nH]c2ccccc12)OCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000006376330 560728465 /nfs/dbraw/zinc/72/84/65/560728465.db2.gz QKBYBCCRIWTPSX-UHFFFAOYSA-N 0 0 418.537 4.515 50 0 HJAARN CCOc1cc2c(cc1/C=C1/CCn3c1nc1cc(Cl)ccc1c3=O)O[C@@H](C)C2 ZINC000096759093 560729096 /nfs/dbraw/zinc/72/90/96/560729096.db2.gz UBIXQRATYLOLAA-GFAPJHNFSA-N 0 0 408.885 4.716 50 0 HJAARN O=C(NCCc1ccc(Cl)cc1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000017906800 560730530 /nfs/dbraw/zinc/73/05/30/560730530.db2.gz DIOPACHSUGPLGL-UHFFFAOYSA-N 0 0 405.885 4.539 50 0 HJAARN Cc1ccccc1[C@@H]1c2c(O)n(-c3ccc(Cl)cc3)c(O)c2ON1c1ccccc1 ZINC000017952287 560731283 /nfs/dbraw/zinc/73/12/83/560731283.db2.gz GYMNKLBWYBVUMP-VSKRKVRLSA-N 0 0 418.880 4.700 50 0 HJAARN CCOC(=O)c1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1 ZINC000004820448 560736543 /nfs/dbraw/zinc/73/65/43/560736543.db2.gz ZSYYKMLEYPTIEN-UHFFFAOYSA-N 0 0 412.898 4.797 50 0 HJAARN CC(C)C[C@@H]1[C@@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)[C@H]2ON1c1ccccc1 ZINC000101041694 560767018 /nfs/dbraw/zinc/76/70/18/560767018.db2.gz KAEVMPMHCQRLOG-AOIWGVFYSA-N 0 0 419.308 4.718 50 0 HJAARN Cc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4C)c(O)c3ON2c2ccccc2)cc1 ZINC000018038143 560773436 /nfs/dbraw/zinc/77/34/36/560773436.db2.gz QBVBZOBHRWSSFE-SMIHKQSGSA-N 0 0 412.489 4.663 50 0 HJAARN C[C@@H]1C[C@H](C)CN(C(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)C1 ZINC000018068179 560774602 /nfs/dbraw/zinc/77/46/02/560774602.db2.gz MTHRDAKVSAXJLF-HDICACEKSA-N 0 0 418.566 4.802 50 0 HJAARN COc1ccc2c(c1)C(=O)N(c1ccccc1OC)C(=O)C2=CNc1ccc(C)cc1 ZINC000018115973 560776142 /nfs/dbraw/zinc/77/61/42/560776142.db2.gz CROUJQJPWAWWKT-QNGOZBTKSA-N 0 0 414.461 4.652 50 0 HJAARN Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101136934 560788388 /nfs/dbraw/zinc/78/83/88/560788388.db2.gz AFZQLWRVIQBPGG-VSKRKVRLSA-N 0 0 418.880 4.700 50 0 HJAARN CCOc1ccc(NC=C2c3ccccc3C(=O)N(c3ccccc3OC)C2=O)cc1 ZINC000101264168 560790000 /nfs/dbraw/zinc/79/00/00/560790000.db2.gz PMIKULDBGLBJQN-PGMHBOJBSA-N 0 0 414.461 4.734 50 0 HJAARN O=S(=O)(N[C@H]1CCSc2ccc(Cl)cc21)c1ccccc1Br ZINC000012979171 560790177 /nfs/dbraw/zinc/79/01/77/560790177.db2.gz SGQWNMGUBLCDJP-ZDUSSCGKSA-N 0 0 418.765 4.618 50 0 HJAARN CCOc1ccc(C2=Nc3ncnn3[C@@H](c3ccccc3OC(F)F)C2)cc1Cl ZINC000101642201 560797571 /nfs/dbraw/zinc/79/75/71/560797571.db2.gz LBNXFUCQEXCYLU-MRXNPFEDSA-N 0 0 418.831 4.988 50 0 HJAARN c1c([C@H]2CC(c3ccccc3)=Nc3nnnn32)c(-c2ccccc2)nn1-c1ccccc1 ZINC000102175042 560808302 /nfs/dbraw/zinc/80/83/02/560808302.db2.gz UNTCFDANCMKUCG-HSZRJFAPSA-N 0 0 417.476 4.582 50 0 HJAARN CCSc1nc2n(n1)[C@@H](c1cccc(OC)c1OC)C1C(=O)CC(C)(C)CC1=N2 ZINC000102680490 560821180 /nfs/dbraw/zinc/82/11/80/560821180.db2.gz NHTVZYCMVADLRN-KRWDZBQOSA-N 0 0 414.531 4.715 50 0 HJAARN Cc1cc(C)c(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccs4)[C@@H]3C2=O)c(C)c1 ZINC000102724024 560821524 /nfs/dbraw/zinc/82/15/24/560821524.db2.gz GGXVKOKJHJWILE-ILWGZMRPSA-N 0 0 418.518 4.724 50 0 HJAARN CCOc1ccc(NC(=O)N2CC[C@H](n3c(-c4ccco4)nc4cccnc43)C2)cc1 ZINC000097124168 560849465 /nfs/dbraw/zinc/84/94/65/560849465.db2.gz QGDCYXDHCRGAMC-KRWDZBQOSA-N 0 0 417.469 4.569 50 0 HJAARN O=C(Oc1ccc(-c2nnco2)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000014795037 560851138 /nfs/dbraw/zinc/85/11/38/560851138.db2.gz ZRRZNSQPZMWOCU-UHFFFAOYSA-N 0 0 408.417 4.809 50 0 HJAARN C[C@@H](OC(=O)/C=C/c1cccc2cccnc12)C(=O)Nc1ncc(Cl)cc1Cl ZINC000014854933 560871466 /nfs/dbraw/zinc/87/14/66/560871466.db2.gz AOMYBDLNXJIQCH-ABZNLYFFSA-N 0 0 416.264 4.520 50 0 HJAARN CC1=C(C)SC(=c2sc3n(c2=O)[C@H](c2ccccc2)C2=C(CCCC2)N=3)S1 ZINC000051329947 560871734 /nfs/dbraw/zinc/87/17/34/560871734.db2.gz YAVDCNIYOZSTCH-QGZVFWFLSA-N 0 0 412.605 4.758 50 0 HJAARN Cc1cc(C)cc(NC(=O)NCCn2c(-c3ccc(F)cc3)nc3cccnc32)c1 ZINC000046913261 560878763 /nfs/dbraw/zinc/87/87/63/560878763.db2.gz HPISEEMNZFZYSW-UHFFFAOYSA-N 0 0 403.461 4.676 50 0 HJAARN Cc1cc(C)n(-c2ccc(NC(=O)c3cc(F)ccc3Br)cc2F)n1 ZINC000047409254 560886782 /nfs/dbraw/zinc/88/67/82/560886782.db2.gz ZMKBYJFUUFJSKR-UHFFFAOYSA-N 0 0 406.230 4.782 50 0 HJAARN CCCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 ZINC000012062996 560888209 /nfs/dbraw/zinc/88/82/09/560888209.db2.gz XHTUSDBBLWMXOK-ZDUSSCGKSA-N 0 0 401.850 4.585 50 0 HJAARN COc1ccccc1-c1ccc(SCC(=O)Nc2cccc(C(F)(F)F)c2)nn1 ZINC000012140473 560890245 /nfs/dbraw/zinc/89/02/45/560890245.db2.gz DLBUNBGIPXKWRM-UHFFFAOYSA-N 0 0 419.428 4.902 50 0 HJAARN Cc1cc2oc(=O)cc(CN3c4ccccc4[C@@H](C(N)=O)C[C@H]3C)c2cc1C(C)C ZINC000106566332 560892482 /nfs/dbraw/zinc/89/24/82/560892482.db2.gz NIWBEZMPSOGMPA-IERDGZPVSA-N 0 0 404.510 4.593 50 0 HJAARN Cc1cc2oc(=O)cc(CN3c4ccccc4[C@H](C(N)=O)C[C@H]3C)c2cc1C(C)C ZINC000106566330 560892496 /nfs/dbraw/zinc/89/24/96/560892496.db2.gz NIWBEZMPSOGMPA-IIBYNOLFSA-N 0 0 404.510 4.593 50 0 HJAARN CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3cccc(Br)c3)cc21 ZINC000003165571 560893209 /nfs/dbraw/zinc/89/32/09/560893209.db2.gz SLSNSDOBMBPZJW-UHFFFAOYSA-N 0 0 416.271 4.645 50 0 biogenic HJAARN Cc1cc(C)cc(OCC(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)c1 ZINC000012226571 560894977 /nfs/dbraw/zinc/89/49/77/560894977.db2.gz IIVVPDYOXRIKDK-UHFFFAOYSA-N 0 0 406.404 4.688 50 0 HJAARN O=C(c1cncc(Br)c1)N1CCS[C@H](c2ccccc2Cl)CC1 ZINC000211146736 560895164 /nfs/dbraw/zinc/89/51/64/560895164.db2.gz TVHYHPSTPPXCSK-INIZCTEOSA-N 0 0 411.752 4.818 50 0 HJAARN COc1ccc(C2C(=O)C(=O)N(Cc3cccc(OC)c3)[C@H]2c2ccccc2)cc1 ZINC000045941616 568422105 /nfs/dbraw/zinc/42/21/05/568422105.db2.gz VODPKXLXKTXQCJ-QHCPKHFHSA-N 0 0 401.462 4.757 50 0 HJAARN O=C1C(=O)N(Cc2ccc3c(c2)OCO3)[C@H](c2ccccc2F)C1c1ccccc1 ZINC000045942335 568422369 /nfs/dbraw/zinc/42/23/69/568422369.db2.gz RDJYCTACAJDLMN-JOCHJYFZSA-N 0 0 403.409 4.607 50 0 HJAARN Cc1ccc(C2C(=O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@H]2c2ccccc2F)cc1 ZINC000045942341 568422382 /nfs/dbraw/zinc/42/23/82/568422382.db2.gz XKOUCDIQSCDKTG-QHCPKHFHSA-N 0 0 417.436 4.916 50 0 HJAARN Cc1ccccc1S(=O)(=O)Nc1c(=O)oc2ccccc2c1NCc1ccccc1 ZINC000045962041 568422796 /nfs/dbraw/zinc/42/27/96/568422796.db2.gz RNOWJARASIQXOP-UHFFFAOYSA-N 0 0 420.490 4.514 50 0 HJAARN Cc1cc(C)cc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NC2CCCC2)c1 ZINC000045962021 568422848 /nfs/dbraw/zinc/42/28/48/568422848.db2.gz BHGBJKKNDOFCDN-UHFFFAOYSA-N 0 0 412.511 4.565 50 0 HJAARN CCCn1c(=O)oc2cc(NC(=O)Nc3ccc(Br)c(C)c3)ccc21 ZINC000046010267 568423302 /nfs/dbraw/zinc/42/33/02/568423302.db2.gz NXDRMWJMOLLJER-UHFFFAOYSA-N 0 0 404.264 4.719 50 0 HJAARN COc1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000046012151 568423372 /nfs/dbraw/zinc/42/33/72/568423372.db2.gz QTUWTEOWHWUJJP-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN CCc1cc(OCC(=O)Nc2cccc(C)c2)nc2c1c(C)nn2-c1ccc(C)cc1 ZINC000046016987 568423736 /nfs/dbraw/zinc/42/37/36/568423736.db2.gz WRTFIFOLZCJBQI-UHFFFAOYSA-N 0 0 414.509 4.926 50 0 HJAARN CCCc1noc(-c2cc(S(=O)(=O)Nc3ccccc3C(C)C)ccc2OC)n1 ZINC000046020220 568423837 /nfs/dbraw/zinc/42/38/37/568423837.db2.gz MZPCWFXLXRDCCF-UHFFFAOYSA-N 0 0 415.515 4.622 50 0 HJAARN O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000046044004 568424889 /nfs/dbraw/zinc/42/48/89/568424889.db2.gz VIXSAWPOOLMBJN-AWEZNQCLSA-N 0 0 410.823 4.850 50 0 HJAARN Cc1cc(F)ccc1NC(=O)[C@@H]1CCCN(C(=O)Cc2cccc3ccccc32)C1 ZINC000046045263 568425141 /nfs/dbraw/zinc/42/51/41/568425141.db2.gz QZZIMDDWPJRCCJ-HXUWFJFHSA-N 0 0 404.485 4.707 50 0 HJAARN Cc1cc(F)ccc1NC(=O)[C@H]1CCCN(C(=O)Cc2cccc3ccccc32)C1 ZINC000046045266 568425145 /nfs/dbraw/zinc/42/51/45/568425145.db2.gz QZZIMDDWPJRCCJ-FQEVSTJZSA-N 0 0 404.485 4.707 50 0 HJAARN COc1ccc(C(=O)c2cn(Cc3cc(C)ccc3C)c3nc(C)ccc3c2=O)cc1 ZINC000046053734 568425494 /nfs/dbraw/zinc/42/54/94/568425494.db2.gz ISNNRDNHWNHGLD-UHFFFAOYSA-N 0 0 412.489 4.610 50 0 HJAARN CCCCN(CCCC)S(=O)(=O)c1ccc2c(c1)C(=O)Nc1ccccc1O2 ZINC000046077664 568427422 /nfs/dbraw/zinc/42/74/22/568427422.db2.gz PCAPSRVQMJFEJM-UHFFFAOYSA-N 0 0 402.516 4.636 50 0 HJAARN O=C(c1ccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)cc1)N1CCCCC1 ZINC000046079687 568427886 /nfs/dbraw/zinc/42/78/86/568427886.db2.gz PUIYMEKGYAIYIT-UHFFFAOYSA-N 0 0 411.933 4.798 50 0 HJAARN O=C(Nc1ccc(-n2cncn2)cc1C(F)(F)F)N1CCC[C@@H]1C1CCCCC1 ZINC000047675111 568430755 /nfs/dbraw/zinc/43/07/55/568430755.db2.gz MLTWJASEJKWUPU-GOSISDBHSA-N 0 0 407.440 4.863 50 0 HJAARN O=C(NCc1cccs1)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F ZINC000047914415 568431587 /nfs/dbraw/zinc/43/15/87/568431587.db2.gz MCAWLCSCLUOACX-UHFFFAOYSA-N 0 0 409.389 4.934 50 0 HJAARN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)o1 ZINC000048260987 568433523 /nfs/dbraw/zinc/43/35/23/568433523.db2.gz XQIREKVYCABCFS-KDOFPFPSSA-N 0 0 401.453 4.735 50 0 HJAARN O=C(NC(C1CC1)C1CC1)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 ZINC000048288732 568434734 /nfs/dbraw/zinc/43/47/34/568434734.db2.gz VBCCCFKTVGIBCQ-UHFFFAOYSA-N 0 0 412.493 4.658 50 0 HJAARN CC(C)Cn1c(=O)c2ccccc2nc1SCC(=O)Nc1ccc(F)cc1Cl ZINC000051364629 568438075 /nfs/dbraw/zinc/43/80/75/568438075.db2.gz INRCXAKULYMRPF-UHFFFAOYSA-N 0 0 419.909 4.576 50 0 HJAARN CCOC(=O)/C=C/c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000048332549 568439156 /nfs/dbraw/zinc/43/91/56/568439156.db2.gz ZUQKCWISAMTZLP-ZGQNHIEXSA-N 0 0 424.497 4.649 50 0 HJAARN Cc1[nH]c(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)c(C)c1C(=O)OC(C)C ZINC000048342331 568440550 /nfs/dbraw/zinc/44/05/50/568440550.db2.gz SIMRHSUOEFJBSB-UHFFFAOYSA-N 0 0 420.513 4.649 50 0 HJAARN COc1ccc(-c2nc(CSCC(=O)NC3CCCCCC3)cs2)cc1OC ZINC000048367754 568442094 /nfs/dbraw/zinc/44/20/94/568442094.db2.gz AMDXECUIKAKPGL-UHFFFAOYSA-N 0 0 420.600 4.900 50 0 HJAARN CCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc(C(C)C)cc3)c2c1=O ZINC000048989448 568444156 /nfs/dbraw/zinc/44/41/56/568444156.db2.gz SYVLSDLZDHYNQK-UHFFFAOYSA-N 0 0 414.509 4.647 50 0 HJAARN COc1ccc(Nc2c(C(=O)N3CCC[C@@H](C)C3)cnc3nc(C)ccc32)cc1OC ZINC000049005350 568444467 /nfs/dbraw/zinc/44/44/67/568444467.db2.gz OGWABPNVUZJJRN-OAHLLOKOSA-N 0 0 420.513 4.571 50 0 HJAARN Cc1cc(SCC(=O)NCc2ccc(Cl)cc2)nc(-c2ccc(F)cc2)n1 ZINC000049007045 568444928 /nfs/dbraw/zinc/44/49/28/568444928.db2.gz DGBBCZGSFZLVPM-UHFFFAOYSA-N 0 0 401.894 4.653 50 0 HJAARN COc1cc(Cl)c(C)cc1Nc1c(C(=O)N2CCCC2)cnc2nc(C)ccc21 ZINC000049004623 568446718 /nfs/dbraw/zinc/44/67/18/568446718.db2.gz OJNRYUKCNLVQID-UHFFFAOYSA-N 0 0 410.905 4.888 50 0 HJAARN COc1cc(Nc2c(C(=O)OC(C)C)cnc3nc(C)ccc32)c(OC)cc1Cl ZINC000049004518 568446720 /nfs/dbraw/zinc/44/67/20/568446720.db2.gz PPWRDOGPHVTHMW-UHFFFAOYSA-N 0 0 415.877 4.918 50 0 HJAARN CC(=O)c1cccc(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc32)c1 ZINC000049004677 568446725 /nfs/dbraw/zinc/44/67/25/568446725.db2.gz RVCGBXLMHFVURF-UHFFFAOYSA-N 0 0 402.498 4.901 50 0 HJAARN CCn1c2ccccc2nc1NC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000049207733 568446946 /nfs/dbraw/zinc/44/69/46/568446946.db2.gz BHLNKMHKWXLBLE-UHFFFAOYSA-N 0 0 401.466 4.969 50 0 HJAARN Cc1cccc(-c2noc(C3CCN(CC(=O)Nc4cccc(Cl)c4C)CC3)n2)c1 ZINC000049403242 568448241 /nfs/dbraw/zinc/44/82/41/568448241.db2.gz UBOYNWYXKICIAK-UHFFFAOYSA-N 0 0 424.932 4.825 50 0 HJAARN COc1cccc([C@H]2SCC(=O)Nc3c2cnn3C)c1OCc1cccc(C)c1 ZINC000049550221 568451815 /nfs/dbraw/zinc/45/18/15/568451815.db2.gz SXASKSDXSCIZTE-OAQYLSRUSA-N 0 0 409.511 4.740 50 0 HJAARN Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1SCC(=O)Nc2c1cnn2C(C)(C)C ZINC000049549807 568451833 /nfs/dbraw/zinc/45/18/33/568451833.db2.gz WLBWQEXABNRTOZ-HXUWFJFHSA-N 0 0 409.559 4.924 50 0 HJAARN O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2 ZINC000012249807 568456017 /nfs/dbraw/zinc/45/60/17/568456017.db2.gz WOHOZRHTZRJDNF-UHFFFAOYSA-N 0 0 424.425 4.928 50 0 HJAARN COc1ccc(C(=O)c2sc3nc(-c4ccc(OC)c(OC)c4)ccc3c2N)cc1 ZINC000012250944 568456247 /nfs/dbraw/zinc/45/62/47/568456247.db2.gz LITQTRCXLDDFEX-UHFFFAOYSA-N 0 0 420.490 4.802 50 0 HJAARN COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1sc(-c2cccs2)nc1C ZINC000018463318 568457056 /nfs/dbraw/zinc/45/70/56/568457056.db2.gz MRGZABNYSWFFBX-ZDUSSCGKSA-N 0 0 416.524 4.681 50 0 HJAARN C[C@H]1CC[C@H](C)N(C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)C1 ZINC000000647216 568457310 /nfs/dbraw/zinc/45/73/10/568457310.db2.gz SFUSILZIDFJXLJ-KBPBESRZSA-N 0 0 402.420 4.676 50 0 HJAARN CCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2cccc(F)c2)[C@@H](C)C(C)C)c1 ZINC000006722745 568458015 /nfs/dbraw/zinc/45/80/15/568458015.db2.gz DERSWIOGVIMRNC-KRWDZBQOSA-N 0 0 413.537 4.927 50 0 HJAARN Cc1cccc([N-][C@]2(C(F)(F)F)N=C(c3ccccc3)N(C3CCCCC3)C2=O)[nH+]1 ZINC000006760710 568458699 /nfs/dbraw/zinc/45/86/99/568458699.db2.gz CJGJLPUSYKKRNX-NRFANRHFSA-N 0 0 416.447 4.682 50 0 HJAARN CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cccnc4)cc3n2)s1 ZINC000000654389 568459481 /nfs/dbraw/zinc/45/94/81/568459481.db2.gz XYJVSFJPHORLNO-UHFFFAOYSA-N 0 0 417.416 4.686 50 0 HJAARN O=C(NCc1cccs1)c1cnn2c1N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000000674415 568461035 /nfs/dbraw/zinc/46/10/35/568461035.db2.gz YLYOLGJBIXUJEP-TZMCWYRMSA-N 0 0 412.462 4.596 50 0 HJAARN CCc1cccc(NC(=O)C2CCN(C(=O)N3C[C@@H](CC)Oc4ccccc43)CC2)c1 ZINC000006846723 568461281 /nfs/dbraw/zinc/46/12/81/568461281.db2.gz LXJSJCVSUHSBMD-OAQYLSRUSA-N 0 0 421.541 4.697 50 0 HJAARN C[C@@H](OCCCNC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1 ZINC000024775596 568462383 /nfs/dbraw/zinc/46/23/83/568462383.db2.gz JYCADHZJOINEQF-LJQANCHMSA-N 0 0 402.494 4.837 50 0 HJAARN CCCCCCN(C(=O)Cn1ccsc1=N)c1nc(-c2ccccc2)cs1 ZINC000006888007 568463216 /nfs/dbraw/zinc/46/32/16/568463216.db2.gz IWKDXRDAKXPYSB-UHFFFAOYSA-N 0 0 400.573 4.766 50 0 HJAARN Cc1nc2sc(C(=O)c3ccccc3)c(N)c2c(C)c1C(=O)Nc1ccccc1 ZINC000000706689 568463506 /nfs/dbraw/zinc/46/35/06/568463506.db2.gz LFSMNMCMMHQRPV-UHFFFAOYSA-N 0 0 401.491 4.979 50 0 HJAARN O=C(c1ccccc1)N1C[C@@H](COc2ccccc2)O[C@H](c2c[nH]c3ccccc32)O1 ZINC000000709999 568463632 /nfs/dbraw/zinc/46/36/32/568463632.db2.gz ZFGQRFFERSTKPE-CPJSRVTESA-N 0 0 414.461 4.718 50 0 HJAARN CCOc1ccc([C@H]2Oc3ccc(Br)cc3C=C2[N+](=O)[O-])cc1OCC ZINC000000718286 568465827 /nfs/dbraw/zinc/46/58/27/568465827.db2.gz MLTNUTWAVASJRD-LJQANCHMSA-N 0 0 420.259 4.998 50 0 HJAARN CC(C)Oc1ccc(C(=O)Nc2nc(CN3CCc4ccccc4C3)cs2)cc1 ZINC000021681382 568466868 /nfs/dbraw/zinc/46/68/68/568466868.db2.gz OAIMCQWOZYLTJJ-UHFFFAOYSA-N 0 0 407.539 4.741 50 0 HJAARN CN(Cc1ccccn1)C(=O)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12 ZINC000012316406 568466885 /nfs/dbraw/zinc/46/68/85/568466885.db2.gz NMUMJSCIYZCTSZ-UHFFFAOYSA-N 0 0 416.428 4.749 50 0 HJAARN O=C(CCS(=O)(=O)c1ccc(Br)cc1)c1ccc2ccccc2c1 ZINC000000732291 568469867 /nfs/dbraw/zinc/46/98/67/568469867.db2.gz AOXAPGRGVRNAAF-UHFFFAOYSA-N 0 0 403.297 4.649 50 0 HJAARN Cc1cc(C)c(-c2csc(NC(=O)[C@@H]3CCCN(C(=O)c4ccoc4)C3)n2)c(C)c1 ZINC000024834936 568469984 /nfs/dbraw/zinc/46/99/84/568469984.db2.gz JVKMWQKZCYIBEY-QGZVFWFLSA-N 0 0 423.538 4.819 50 0 HJAARN COc1cc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c(OC)cc1Cl ZINC000021900787 568472519 /nfs/dbraw/zinc/47/25/19/568472519.db2.gz FTNDCXIPDMSWEP-UHFFFAOYSA-N 0 0 416.886 4.923 50 0 HJAARN CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000781480 568474947 /nfs/dbraw/zinc/47/49/47/568474947.db2.gz ODGULVQRPJQRIC-UHFFFAOYSA-N 0 0 420.460 4.638 50 0 HJAARN O=C(CSc1nc2cc(Cl)cnc2[nH]1)N[C@H](c1cccs1)c1ccccc1 ZINC000007240579 568476075 /nfs/dbraw/zinc/47/60/75/568476075.db2.gz FPQKWHHNRHXHPJ-KRWDZBQOSA-N 0 0 414.943 4.671 50 0 HJAARN COc1ccc(-c2nn(C)c(=O)c3ccccc32)cc1NC(=O)c1ccc(Cl)cc1 ZINC000000796482 568482146 /nfs/dbraw/zinc/48/21/46/568482146.db2.gz YVJPUYQSGHCBPV-UHFFFAOYSA-N 0 0 419.868 4.515 50 0 HJAARN CCc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc(OC)cc3)n3ccccc23)cc1 ZINC000012342081 568484351 /nfs/dbraw/zinc/48/43/51/568484351.db2.gz KEKJPPCIRMADDP-UHFFFAOYSA-N 0 0 413.477 4.576 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)COc1ccc(Cl)cc1Cl ZINC000008009502 568487672 /nfs/dbraw/zinc/48/76/72/568487672.db2.gz JTMSQDJTTPLYJP-UHFFFAOYSA-N 0 0 418.324 4.833 50 0 HJAARN CN(CC(=O)Nc1cccc2ccccc21)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000024924157 568487767 /nfs/dbraw/zinc/48/77/67/568487767.db2.gz VAPGMPCAXNVEBT-UHFFFAOYSA-N 0 0 415.415 4.639 50 0 HJAARN COc1ccccc1-c1cc(C(=O)Nc2ccccc2-c2cn3cccc(C)c3n2)n[nH]1 ZINC000390827387 568489936 /nfs/dbraw/zinc/48/99/36/568489936.db2.gz GTDCVVVBRWDKSY-UHFFFAOYSA-N 0 0 423.476 4.961 50 0 HJAARN COc1cc(/C=C/C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc(OC)c1OC ZINC000008128420 568491026 /nfs/dbraw/zinc/49/10/26/568491026.db2.gz GRXUKVBEASJSLV-PLSXKVAHSA-N 0 0 412.511 4.555 50 0 HJAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000008135584 568491414 /nfs/dbraw/zinc/49/14/14/568491414.db2.gz AENSESYWZJHAHA-SFHVURJKSA-N 0 0 407.823 4.976 50 0 HJAARN O=C(CCCCCn1cccc1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000604418612 568493010 /nfs/dbraw/zinc/49/30/10/568493010.db2.gz ITAHLRJYFHVVLX-UHFFFAOYSA-N 0 0 408.464 4.578 50 0 HJAARN CCOc1c(Cl)cc(/C=C/C(=O)N(Cc2ccc(OC)cc2)C2CC2)cc1OC ZINC000008164722 568493409 /nfs/dbraw/zinc/49/34/09/568493409.db2.gz YCFTWYYTHQCSFD-KPKJPENVSA-N 0 0 415.917 4.960 50 0 HJAARN COc1cc(/C=C/C(=O)N2CCCC[C@H]2CSC(C)(C)C)cc(OC)c1OC ZINC000390831645 568495797 /nfs/dbraw/zinc/49/57/97/568495797.db2.gz TVJJZYKSRLODSD-DVQDXYAYSA-N 0 0 407.576 4.638 50 0 HJAARN CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccccc1)c1ccccc21 ZINC000000822121 568498554 /nfs/dbraw/zinc/49/85/54/568498554.db2.gz KIMXWAXSINFZJQ-UHFFFAOYSA-N 0 0 409.463 4.872 50 0 HJAARN C[C@@H](C(=O)Nc1cccnc1Cl)N1CCC(c2nc3ccccc3s2)CC1 ZINC000008533015 568501393 /nfs/dbraw/zinc/50/13/93/568501393.db2.gz MTFYEZFNNIKGAW-ZDUSSCGKSA-N 0 0 400.935 4.551 50 0 HJAARN COc1ccc(OCc2nnc(SCC(=O)Nc3cccc4ccccc43)o2)cc1 ZINC000220970327 568509302 /nfs/dbraw/zinc/50/93/02/568509302.db2.gz DBOFMFGYPTYTBP-UHFFFAOYSA-N 0 0 421.478 4.541 50 0 HJAARN COc1ccc(NC(=O)CCCc2nc3cccnc3n2Cc2ccc(F)cc2)cc1 ZINC000033072723 568511114 /nfs/dbraw/zinc/51/11/14/568511114.db2.gz JEAASLPEPPAPJB-UHFFFAOYSA-N 0 0 418.472 4.589 50 0 HJAARN COc1cccc(CNC(=O)c2sc3ncnc(N(C)C4CCCCC4)c3c2C)c1 ZINC000033078875 568511123 /nfs/dbraw/zinc/51/11/23/568511123.db2.gz TZQSQFXGOPLOMP-UHFFFAOYSA-N 0 0 424.570 4.707 50 0 HJAARN Cc1cn2c(nc(CN(Cc3ccccc3)Cc3ccc(Cl)cc3)cc2=O)s1 ZINC000033268814 568512363 /nfs/dbraw/zinc/51/23/63/568512363.db2.gz HUFAPTRFJUHELF-UHFFFAOYSA-N 0 0 409.942 4.920 50 0 HJAARN CCc1cc([C@H]2CCCN2C(=O)c2c(C)onc2-c2c(F)cccc2Cl)on1 ZINC000033269946 568512384 /nfs/dbraw/zinc/51/23/84/568512384.db2.gz BIOFGECNTVFDBA-OAHLLOKOSA-N 0 0 403.841 4.970 50 0 HJAARN Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)/C=C\c1cnn(C)c1C ZINC000033726272 568518767 /nfs/dbraw/zinc/51/87/67/568518767.db2.gz BIHQSDIDSAPCFT-VURMDHGXSA-N 0 0 418.328 4.549 50 0 HJAARN COC(=O)c1ccc2nc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)sc2c1 ZINC000012378188 568551546 /nfs/dbraw/zinc/55/15/46/568551546.db2.gz DZHVRSUZJWSLFJ-UHFFFAOYSA-N 0 0 416.458 4.566 50 0 HJAARN CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1c(-c2ccccc2)nc2ncccn21 ZINC000606422320 568590615 /nfs/dbraw/zinc/59/06/15/568590615.db2.gz NNFNPSILGQTUIO-DZGCQCFKSA-N 0 0 401.297 4.926 50 0 HJAARN O=C(Nc1c(F)cccc1F)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 ZINC000390826069 568591023 /nfs/dbraw/zinc/59/10/23/568591023.db2.gz ATFXVLQMBBTASB-UHFFFAOYSA-N 0 0 411.456 4.700 50 0 HJAARN O=C(c1nc2ccccc2s1)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 ZINC000390826493 568591209 /nfs/dbraw/zinc/59/12/09/568591209.db2.gz MMCIXFCHXPGUMI-UHFFFAOYSA-N 0 0 417.538 4.640 50 0 HJAARN Cc1nn(-c2ccccc2Cl)c2nc(C)cc(C(=O)NCCc3ccccc3)c12 ZINC000020283562 568596618 /nfs/dbraw/zinc/59/66/18/568596618.db2.gz KBLXOOBWLQFBEC-UHFFFAOYSA-N 0 0 404.901 4.663 50 0 HJAARN C[C@@H](NC(=O)c1cccc(F)c1)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020288449 568597494 /nfs/dbraw/zinc/59/74/94/568597494.db2.gz IKRAOXRPOHZFJZ-WZONZLPQSA-N 0 0 423.557 4.569 50 0 HJAARN C[C@@H](NC(=O)c1ccc(F)cc1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020288464 568597961 /nfs/dbraw/zinc/59/79/61/568597961.db2.gz IYGIPWWXXZHXFW-JPYJTQIMSA-N 0 0 423.557 4.569 50 0 HJAARN COc1cc(OC)c(Nc2c3[nH]cccc-3c(=O)n2Cc2cccs2)cc1Cl ZINC000020319309 568598534 /nfs/dbraw/zinc/59/85/34/568598534.db2.gz XDUBBWSCBHOXIB-IBGZPJMESA-N 0 0 415.902 4.580 50 0 HJAARN COc1cc(OC)c(Nc2c3[nH]cccc-3c(=O)n2Cc2cccs2)cc1Cl ZINC000020319304 568598611 /nfs/dbraw/zinc/59/86/11/568598611.db2.gz XDUBBWSCBHOXIB-LJQANCHMSA-N 0 0 415.902 4.580 50 0 HJAARN CCc1ccc(S(=O)(=O)c2cnc3ccc(OC)cc3c2N2CCC[C@@H](C)C2)cc1 ZINC000020381455 568602588 /nfs/dbraw/zinc/60/25/88/568602588.db2.gz KDAITILUCFXJPP-QGZVFWFLSA-N 0 0 424.566 4.875 50 0 HJAARN O=S(=O)(c1ccc(Cl)cc1)c1cnc2ccc(F)cc2c1N1CCCCC1 ZINC000020381650 568602604 /nfs/dbraw/zinc/60/26/04/568602604.db2.gz IZQFZOOGOMJTHM-UHFFFAOYSA-N 0 0 404.894 4.850 50 0 HJAARN COc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCCC3)c2c1 ZINC000020381543 568602701 /nfs/dbraw/zinc/60/27/01/568602701.db2.gz ALESCUPZACBUHN-UHFFFAOYSA-N 0 0 416.930 4.720 50 0 HJAARN CCOc1ccccc1CNC(=O)CCn1c(C)c(C(C)=O)cc1-c1ccc(F)cc1 ZINC000020385465 568603330 /nfs/dbraw/zinc/60/33/30/568603330.db2.gz RUJNGLDQJNSZMV-UHFFFAOYSA-N 0 0 422.500 4.910 50 0 HJAARN CC(=O)Nc1cc(NC(=O)c2c3c(sc2-n2cccc2)CCCC3)c(F)cc1F ZINC000095377694 568603355 /nfs/dbraw/zinc/60/33/55/568603355.db2.gz ROKCNZFXWVULMB-UHFFFAOYSA-N 0 0 415.465 4.907 50 0 HJAARN COc1ccccc1-c1nn(CCC(=O)N2C[C@@H](C)C[C@H](C)C2)c2nc(C)cc(C)c12 ZINC000020437678 568607256 /nfs/dbraw/zinc/60/72/56/568607256.db2.gz DIVCZKZPMOEECO-IRXDYDNUSA-N 0 0 420.557 4.618 50 0 HJAARN CCn1cc(/C=C(\NC(=O)c2ccccc2F)C(=O)N2CCCCC2)c2ccccc21 ZINC000020438843 568607389 /nfs/dbraw/zinc/60/73/89/568607389.db2.gz HENFAQLBGSJEDI-JWGURIENSA-N 0 0 419.500 4.584 50 0 HJAARN CCCC[C@](O)(c1ccc(F)cc1)[C@@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020447086 568608457 /nfs/dbraw/zinc/60/84/57/568608457.db2.gz BTGJJKUUMGGZNO-GOTSBHOMSA-N 0 0 405.941 4.973 50 0 HJAARN Cc1nn(CCCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c(=O)c2c3ccccc3sc21 ZINC000020467122 568610307 /nfs/dbraw/zinc/61/03/07/568610307.db2.gz BICXINLHFOZBFO-IIDMSEBBSA-N 0 0 411.571 4.641 50 0 HJAARN Cc1noc(C)c1COc1cccc(C(=O)N[C@H]2CCCC[C@@H]2OC2CCCC2)c1 ZINC000095444881 568611603 /nfs/dbraw/zinc/61/16/03/568611603.db2.gz HWOBHVHNYKOURE-GOTSBHOMSA-N 0 0 412.530 4.871 50 0 HJAARN C[C@H](NC(=O)C(C)(C)[C@H](O)c1cccc(OCc2ccccc2)c1)c1ccccn1 ZINC000095451132 568614447 /nfs/dbraw/zinc/61/44/47/568614447.db2.gz BYDAIOVNWBDQOR-FDDCHVKYSA-N 0 0 404.510 4.598 50 0 HJAARN CC(C)(C)CN(C[C@@H](O)c1ccccc1)C(=O)CCCc1nnc(-c2ccccc2)o1 ZINC000095451257 568614530 /nfs/dbraw/zinc/61/45/30/568614530.db2.gz HKZHGLWYPRPWRR-OAQYLSRUSA-N 0 0 421.541 4.668 50 0 HJAARN O=S(=O)(Cc1ccc(Cl)cc1Cl)Nc1cccc(Oc2cnccn2)c1 ZINC000095454525 568616454 /nfs/dbraw/zinc/61/64/54/568616454.db2.gz FSQBQVJICNWIBZ-UHFFFAOYSA-N 0 0 410.282 4.518 50 0 HJAARN Cc1csc(CN(C)C(=O)[C@@H]2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)n1 ZINC000095465661 568623787 /nfs/dbraw/zinc/62/37/87/568623787.db2.gz CWJWWHNDQUAONR-HUUCEWRRSA-N 0 0 402.951 4.914 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O ZINC000020531115 568626986 /nfs/dbraw/zinc/62/69/86/568626986.db2.gz JHCJNEGOJAEGFA-OAQYLSRUSA-N 0 0 424.422 4.911 50 0 HJAARN CC[C@H](C(=O)NC1CCCC1)n1c(SCc2cccc(F)c2)nc2cccnc21 ZINC000020532394 568628008 /nfs/dbraw/zinc/62/80/08/568628008.db2.gz AWYLVQLHDIWKPY-LJQANCHMSA-N 0 0 412.534 4.873 50 0 HJAARN O=C1CS[C@@H](c2ccc(O)cc2)c2c(ncn2-c2cccc(Br)c2)N1 ZINC000095474840 568629546 /nfs/dbraw/zinc/62/95/46/568629546.db2.gz DJODHKHVOVHIBZ-KRWDZBQOSA-N 0 0 416.300 4.765 50 0 HJAARN C[C@@H](C(=O)Nc1nc(-c2cccnc2)cs1)c1ccc(C[C@H]2CCCC2=O)cc1 ZINC000095476392 568630559 /nfs/dbraw/zinc/63/05/59/568630559.db2.gz CUIGGZNWFHRQSI-CRAIPNDOSA-N 0 0 405.523 4.859 50 0 HJAARN COc1cccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)c1OC ZINC000095480670 568633320 /nfs/dbraw/zinc/63/33/20/568633320.db2.gz OOYQKAXJFIUUGH-UGSOOPFHSA-N 0 0 417.531 4.622 50 0 HJAARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000095481642 568633787 /nfs/dbraw/zinc/63/37/87/568633787.db2.gz XMHRMSKBWYLULD-LLVKDONJSA-N 0 0 408.310 4.840 50 0 HJAARN Cc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000095482253 568634143 /nfs/dbraw/zinc/63/41/43/568634143.db2.gz RFVQESKJBMJANU-KRWDZBQOSA-N 0 0 407.514 4.768 50 0 HJAARN CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2cccc(C)c2)no1 ZINC000095482495 568634744 /nfs/dbraw/zinc/63/47/44/568634744.db2.gz NSSJXYLOEOSNNY-FQEVSTJZSA-N 0 0 407.514 4.816 50 0 HJAARN COc1ccc(CCN2COc3ccc4c(=O)c(-c5ccccc5)coc4c3C2)cc1 ZINC000020647332 568639148 /nfs/dbraw/zinc/63/91/48/568639148.db2.gz CMXLHPOBDDAMIM-UHFFFAOYSA-N 0 0 413.473 4.863 50 0 biogenic HJAARN COc1cc(CCC(=O)Nc2ccc3oc(-c4ccc(Cl)cc4)cc(=O)c3c2)on1 ZINC000020718226 568640674 /nfs/dbraw/zinc/64/06/74/568640674.db2.gz LBNZGZJMOHNTIK-UHFFFAOYSA-N 0 0 424.840 4.681 50 0 HJAARN CCc1ccc(/C=C2\Sc3ccccc3N(CC(=O)NCCC(C)C)C2=O)cc1 ZINC000020728237 568640677 /nfs/dbraw/zinc/64/06/77/568640677.db2.gz PUJQEDAWPXDVTR-JCMHNJIXSA-N 0 0 408.567 4.891 50 0 HJAARN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(/C=C2\Oc3ccccc3NC2=O)cc1 ZINC000020729965 568640854 /nfs/dbraw/zinc/64/08/54/568640854.db2.gz SOESZVPMWFTCJP-SNFPTOCBSA-N 0 0 412.489 4.810 50 0 HJAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)Nc2cccc(OC)c2)c1C ZINC000020761192 568642076 /nfs/dbraw/zinc/64/20/76/568642076.db2.gz ONMJKTRKEQKIGJ-UHFFFAOYSA-N 0 0 424.472 4.817 50 0 HJAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)N2CCCC[C@H]2C)c1C ZINC000020761179 568642109 /nfs/dbraw/zinc/64/21/09/568642109.db2.gz SHXKJXFYWFIAHM-MRXNPFEDSA-N 0 0 400.494 4.570 50 0 HJAARN CSc1cccc(NC(=O)c2cnc3scc(-c4ccc(C)cc4)n3c2=O)c1 ZINC000020768176 568643458 /nfs/dbraw/zinc/64/34/58/568643458.db2.gz DHBSGJFWQPURJW-UHFFFAOYSA-N 0 0 407.520 4.706 50 0 HJAARN CCc1cccc(CC)c1NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O ZINC000020767833 568643511 /nfs/dbraw/zinc/64/35/11/568643511.db2.gz NSDZRERVFAHBNQ-UHFFFAOYSA-N 0 0 403.507 4.800 50 0 HJAARN COc1cc2c(cc1NC(=O)c1cn(-c3ccc(F)cc3)nn1)oc1ccccc12 ZINC000020890851 568647686 /nfs/dbraw/zinc/64/76/86/568647686.db2.gz NTVXABOWPVKGHT-UHFFFAOYSA-N 0 0 402.385 4.567 50 0 HJAARN Cc1ccc(C(=O)NCCC2=CCCCC2)cc1NC(=O)C1=C(C)OCCS1 ZINC000020919408 568650793 /nfs/dbraw/zinc/65/07/93/568650793.db2.gz JBTOEQCKVNJNMC-UHFFFAOYSA-N 0 0 400.544 4.549 50 0 HJAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@H]3CCOc4ccccc43)cc12 ZINC000007964723 568650873 /nfs/dbraw/zinc/65/08/73/568650873.db2.gz VWJMUBGQMAGHCB-SFHVURJKSA-N 0 0 407.470 4.788 50 0 HJAARN Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)N(Cc1ccco1)C1CCCCC1 ZINC000020942167 568652873 /nfs/dbraw/zinc/65/28/73/568652873.db2.gz MGIPAIQTSQWJOF-UHFFFAOYSA-N 0 0 411.502 4.522 50 0 HJAARN C[C@H](CNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1)c1ccccc1 ZINC000020977764 568653860 /nfs/dbraw/zinc/65/38/60/568653860.db2.gz VOUPZVOVPVFAEE-LLVKDONJSA-N 0 0 416.446 4.504 50 0 HJAARN Cc1cc2c(cc1S(=O)(=O)Nc1ccc(F)c(F)c1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000020990060 568655480 /nfs/dbraw/zinc/65/54/80/568655480.db2.gz WWNMDEKRXSGNHI-UHFFFAOYSA-N 0 0 418.465 4.710 50 0 HJAARN Cc1ccc(NC(=O)CCN2c3ccccc3Sc3ncccc3C2=O)cc1F ZINC000020993534 568656167 /nfs/dbraw/zinc/65/61/67/568656167.db2.gz XQPHJLZBDLKMJZ-UHFFFAOYSA-N 0 0 407.470 4.669 50 0 HJAARN O=S(=O)(Nc1cccc(Br)c1)c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000021033852 568659417 /nfs/dbraw/zinc/65/94/17/568659417.db2.gz DRKBLBZSDYMWCK-UHFFFAOYSA-N 0 0 419.300 4.782 50 0 HJAARN Cc1ncc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3Br)c2)o1 ZINC000021032697 568659666 /nfs/dbraw/zinc/65/96/66/568659666.db2.gz IHAZAXYMLUVNPF-UHFFFAOYSA-N 0 0 421.316 4.830 50 0 HJAARN CCc1c(C)sc2c1CCN(CC(=O)NCc1ccccc1)[C@H]2c1ccccc1 ZINC000021045686 568660116 /nfs/dbraw/zinc/66/01/16/568660116.db2.gz DETRMWPROHWHHD-DEOSSOPVSA-N 0 0 404.579 4.883 50 0 HJAARN Cc1cc2c(s1)CCc1cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)sc1-2 ZINC000021043583 568660170 /nfs/dbraw/zinc/66/01/70/568660170.db2.gz CJCVTMFFQCEQCH-UHFFFAOYSA-N 0 0 412.555 4.985 50 0 HJAARN COc1ccc(NC(=O)CN[C@@H](C)c2nc3ccccc3n2C(C)C)cc1Cl ZINC000095941373 568662072 /nfs/dbraw/zinc/66/20/72/568662072.db2.gz OXXBEBBLTYZMHE-AWEZNQCLSA-N 0 0 400.910 4.569 50 0 HJAARN C[C@@H](c1ccccc1)N(CC(=O)Nc1cccc(C(=O)N(C)C)c1)c1ccccc1 ZINC000095945348 568663346 /nfs/dbraw/zinc/66/33/46/568663346.db2.gz BPGMCSXZZIIYAQ-IBGZPJMESA-N 0 0 401.510 4.595 50 0 HJAARN COc1ccc([C@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)c2cccs2)cc1 ZINC000095945198 568663405 /nfs/dbraw/zinc/66/34/05/568663405.db2.gz MLXVSBFHOYFYGD-HXUWFJFHSA-N 0 0 422.506 4.765 50 0 HJAARN C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000095951102 568667414 /nfs/dbraw/zinc/66/74/14/568667414.db2.gz NCUBPDQHVYNQMT-QGZVFWFLSA-N 0 0 415.493 4.610 50 0 HJAARN COc1ccc(N(Cc2ccc(C(C)C)cc2)C(=O)[C@H](C)Sc2nncn2C)cc1 ZINC000095950641 568667436 /nfs/dbraw/zinc/66/74/36/568667436.db2.gz ZLALESKFPGKNPB-KRWDZBQOSA-N 0 0 424.570 4.661 50 0 HJAARN CC(C)(C)c1ccc(O)c(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)c1 ZINC000095950321 568667484 /nfs/dbraw/zinc/66/74/84/568667484.db2.gz VXDFTCPVGNVTHM-UHFFFAOYSA-N 0 0 408.523 4.934 50 0 HJAARN COc1cc(Cl)c(Nc2c3[nH]cccc-3c(=O)n2-c2ccc(C)cc2)c(OC)c1 ZINC000021108039 568667778 /nfs/dbraw/zinc/66/77/78/568667778.db2.gz KOFJJSRJLUVOMQ-OAQYLSRUSA-N 0 0 409.873 4.832 50 0 HJAARN CN(Cc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095951872 568667795 /nfs/dbraw/zinc/66/77/95/568667795.db2.gz QHVAINGMAZCHAH-FUHWJXTLSA-N 0 0 424.715 4.787 50 0 HJAARN COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)C1 ZINC000095983487 568675660 /nfs/dbraw/zinc/67/56/60/568675660.db2.gz DLBNVIOZQVMSOH-CQSZACIVSA-N 0 0 406.935 4.515 50 0 HJAARN C[C@]1(C(=O)Nc2ccc(N3CCCCC3)cc2)CCCCN1C(=O)c1ccccc1 ZINC000096006671 568682918 /nfs/dbraw/zinc/68/29/18/568682918.db2.gz DMRSJGQRTISHAA-RUZDIDTESA-N 0 0 405.542 4.700 50 0 HJAARN CC(=O)OCCCc1cccc(NC(=O)c2cccc(OCc3csc(C)n3)c2)c1 ZINC000096012052 568684606 /nfs/dbraw/zinc/68/46/06/568684606.db2.gz ZJDVWPVSWNWSFG-UHFFFAOYSA-N 0 0 424.522 4.779 50 0 HJAARN CCc1ccc(S(=O)(=O)Nc2ccccc2CCc2nc3ccccc3[nH]2)cc1 ZINC000021357243 568688313 /nfs/dbraw/zinc/68/83/13/568688313.db2.gz FGFYNIFCXSLXRK-UHFFFAOYSA-N 0 0 405.523 4.711 50 0 HJAARN CC(C)CC(=O)Nc1ccc(SCc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 ZINC000021357941 568688608 /nfs/dbraw/zinc/68/86/08/568688608.db2.gz GHSAYHQANHLCDG-UHFFFAOYSA-N 0 0 411.483 4.742 50 0 HJAARN O=C(c1ccccc1Br)N1CCC(c2nnc(-c3ccsc3)o2)CC1 ZINC000096096584 568689051 /nfs/dbraw/zinc/68/90/51/568689051.db2.gz PDGJKJXLGBKMOZ-UHFFFAOYSA-N 0 0 418.316 4.580 50 0 HJAARN CCc1nc(-c2ccc(-c3noc([C@H](C)NC(=O)c4ccccc4)n3)cc2)cs1 ZINC000021358113 568689601 /nfs/dbraw/zinc/68/96/01/568689601.db2.gz HGHWRAFFRANXEQ-AWEZNQCLSA-N 0 0 404.495 4.914 50 0 HJAARN Cc1ccc2[nH]c(C(=O)NCc3ccccc3)c(NC(=O)c3ccc(F)cc3)c2c1 ZINC000021361928 568690216 /nfs/dbraw/zinc/69/02/16/568690216.db2.gz ZBEMPOVZBLPGGH-UHFFFAOYSA-N 0 0 401.441 4.798 50 0 HJAARN Fc1ccc([C@@H](c2nnc(-c3ccccc3)o2)N2CCN(c3ccccc3)CC2)cc1 ZINC000021366923 568690766 /nfs/dbraw/zinc/69/07/66/568690766.db2.gz OQIVHSVICBDHJS-QHCPKHFHSA-N 0 0 414.484 4.787 50 0 HJAARN O=C(CCc1cc(Cl)no1)Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1 ZINC000012390538 568694950 /nfs/dbraw/zinc/69/49/50/568694950.db2.gz HBSPMCYRQRLWSP-UHFFFAOYSA-N 0 0 412.804 4.812 50 0 HJAARN Cc1ccc([C@H](c2ccccc2C)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000096182532 568702619 /nfs/dbraw/zinc/70/26/19/568702619.db2.gz DYLDLSPCMNBMAC-RUZDIDTESA-N 0 0 402.513 4.990 50 0 HJAARN COCCn1ccc2cc(C(=O)N[C@H]3CCCc4c5cc(OC)ccc5[nH]c43)ccc21 ZINC000096232005 568707882 /nfs/dbraw/zinc/70/78/82/568707882.db2.gz VOIXYYDORSHYEQ-QFIPXVFZSA-N 0 0 417.509 4.585 50 0 HJAARN COc1ccc(C2(C(=O)N[C@H]3CCCc4c5cc(F)ccc5[nH]c43)CCOCC2)cc1 ZINC000096232742 568708507 /nfs/dbraw/zinc/70/85/07/568708507.db2.gz BUHVTJAAWFCPGP-QFIPXVFZSA-N 0 0 422.500 4.558 50 0 HJAARN COc1ccccc1NC(=O)COc1ccccc1-c1nc(-c2ccccc2C)no1 ZINC000021524694 568709144 /nfs/dbraw/zinc/70/91/44/568709144.db2.gz ZYFKCGRZJMIUFG-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN CC(C)CCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021527585 568709667 /nfs/dbraw/zinc/70/96/67/568709667.db2.gz YZYBIVGBRQZDAD-VWLOTQADSA-N 0 0 409.574 4.741 50 0 HJAARN CC(C)CN(CCc1nc(-c2ccc(Br)cc2)no1)C(=O)CC(C)(C)C ZINC000096275952 568714829 /nfs/dbraw/zinc/71/48/29/568714829.db2.gz YMWSUYSEXUDWNK-UHFFFAOYSA-N 0 0 422.367 4.962 50 0 HJAARN CCOc1ccc([C@H](CC(=O)NCCc2ccccn2)c2c[nH]c3ccccc32)cc1 ZINC000096276590 568715263 /nfs/dbraw/zinc/71/52/63/568715263.db2.gz AEAUWHXZSRYOME-QHCPKHFHSA-N 0 0 413.521 4.843 50 0 HJAARN COc1nc(-c2ccc(F)cc2)n(-c2cccc(NC(=O)c3ccc(F)c(C)c3)c2)n1 ZINC000096278450 568716595 /nfs/dbraw/zinc/71/65/95/568716595.db2.gz FNXCHQRMWSNGJP-UHFFFAOYSA-N 0 0 420.419 4.782 50 0 HJAARN COc1ccc2[nH]cc([C@H](CC(=O)NCCc3ccccn3)c3ccccc3F)c2c1 ZINC000096278580 568716749 /nfs/dbraw/zinc/71/67/49/568716749.db2.gz PJEDEJXXYQTTHY-HXUWFJFHSA-N 0 0 417.484 4.592 50 0 HJAARN CC[C@@H](C)[C@H](NC(=O)COc1ccc(Cl)cc1)c1nc(-c2ccc(C)cc2)no1 ZINC000096279014 568717215 /nfs/dbraw/zinc/71/72/15/568717215.db2.gz WHXJAVMASOVZBR-QRWLVFNGSA-N 0 0 413.905 4.981 50 0 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/nfs/dbraw/zinc/84/46/38/568844638.db2.gz XVLAATDFYXYTCW-UHFFFAOYSA-N 0 0 421.280 4.904 50 0 HJAARN COc1ccc(Br)cc1CN(C)C(=O)CCc1ccc2ccccc2n1 ZINC000012534779 568844921 /nfs/dbraw/zinc/84/49/21/568844921.db2.gz CHOFCRQUVBKZHE-UHFFFAOYSA-N 0 0 413.315 4.597 50 0 HJAARN Cc1ccccc1Nc1nnc(SCC(=O)c2cccc(N3CCCC3=O)c2)s1 ZINC000012534838 568844943 /nfs/dbraw/zinc/84/49/43/568844943.db2.gz SSVMEXZNMGQBDW-UHFFFAOYSA-N 0 0 424.551 4.692 50 0 HJAARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000012535096 568845094 /nfs/dbraw/zinc/84/50/94/568845094.db2.gz ZZHDATUVGQYHAD-UHFFFAOYSA-N 0 0 417.415 4.915 50 0 HJAARN Cc1nc2c(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)cnn2c(C)c1Cc1ccccc1F ZINC000003033759 568845360 /nfs/dbraw/zinc/84/53/60/568845360.db2.gz IGKDBGFTKROYLZ-AYSMAOOMSA-N 0 0 408.521 4.631 50 0 HJAARN Cc1nc2c(C(=O)NCc3ccccc3Cl)cnn2c(C)c1Cc1ccccc1F ZINC000003033775 568845365 /nfs/dbraw/zinc/84/53/65/568845365.db2.gz XEQMKDPMVNARSM-UHFFFAOYSA-N 0 0 422.891 4.659 50 0 HJAARN O=C(COc1cccc(Oc2ccccn2)c1)Nc1cccc(OC(F)(F)F)c1 ZINC000012536903 568846021 /nfs/dbraw/zinc/84/60/21/568846021.db2.gz NVEWYCMXACNGLD-UHFFFAOYSA-N 0 0 404.344 4.790 50 0 HJAARN Cc1ccc([C@@H]2C(=O)N(C3CCCCCC3)CC(=O)N2CCc2ccccc2)cc1 ZINC000003039175 568846141 /nfs/dbraw/zinc/84/61/41/568846141.db2.gz NIGRUJFXPOMEOF-RUZDIDTESA-N 0 0 404.554 4.672 50 0 HJAARN COc1ccc(CN2C(=O)CN(C3CCCCCC3)C(=O)[C@H]2c2ccc(C)cc2)cc1 ZINC000003039195 568846364 /nfs/dbraw/zinc/84/63/64/568846364.db2.gz XIPCLRFNRHAPMH-RUZDIDTESA-N 0 0 420.553 4.639 50 0 HJAARN C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCOc1ccccc1Cl ZINC000012539527 568847054 /nfs/dbraw/zinc/84/70/54/568847054.db2.gz YSDQVBDTOZLNPJ-OAHLLOKOSA-N 0 0 409.873 4.853 50 0 HJAARN Cc1ccc(OCCn2c3ccccc3nc2[C@H](C)NC(=O)c2ccco2)c(C)c1 ZINC000012541161 568848305 /nfs/dbraw/zinc/84/83/05/568848305.db2.gz GGLILYMHGUSXNT-SFHVURJKSA-N 0 0 403.482 4.816 50 0 HJAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000012541230 568848314 /nfs/dbraw/zinc/84/83/14/568848314.db2.gz CWRJEIOYJBKPOB-CQSZACIVSA-N 0 0 406.486 4.934 50 0 HJAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F ZINC000003044721 568848633 /nfs/dbraw/zinc/84/86/33/568848633.db2.gz JIROGDKSSUUVME-YPMHNXCESA-N 0 0 408.449 4.785 50 0 HJAARN CSCC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000012542759 568848896 /nfs/dbraw/zinc/84/88/96/568848896.db2.gz IFBOYAFSTRYIPG-UGSOOPFHSA-N 0 0 403.935 4.594 50 0 HJAARN CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)Nc3cccc(Cl)c3)c(C)c2c1 ZINC000003047717 568849229 /nfs/dbraw/zinc/84/92/29/568849229.db2.gz DJMNGDLEGDCJLY-UHFFFAOYSA-N 0 0 420.918 4.677 50 0 HJAARN CC(=O)c1ccc(O)c(CSc2nnc(-c3ccc(Br)cc3)o2)c1 ZINC000003269871 568849997 /nfs/dbraw/zinc/84/99/97/568849997.db2.gz FDAJKZQUAYXUMO-UHFFFAOYSA-N 0 0 405.273 4.700 50 0 HJAARN Cc1cc(=O)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c(-c2cccc(Cl)c2)n1 ZINC000057526642 568850741 /nfs/dbraw/zinc/85/07/41/568850741.db2.gz OEQMDIYAYYPKFD-UHFFFAOYSA-N 0 0 421.806 4.530 50 0 HJAARN COc1ccc([C@@H](NC(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)c2nccn2C)cc1 ZINC000012547730 568851109 /nfs/dbraw/zinc/85/11/09/568851109.db2.gz IEXZRDGHJZSDEB-NHCUHLMSSA-N 0 0 411.933 4.728 50 0 HJAARN Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccccc2C(C)C)c(=O)c1C ZINC000057528293 568851259 /nfs/dbraw/zinc/85/12/59/568851259.db2.gz GVECLYHUYJKWJF-UHFFFAOYSA-N 0 0 409.917 4.943 50 0 HJAARN CCN(CCNC(=O)CSCc1nc(-c2cccs2)oc1C)c1ccccc1 ZINC000003058709 568852181 /nfs/dbraw/zinc/85/21/81/568852181.db2.gz AYDCBTNHBBYSCQ-UHFFFAOYSA-N 0 0 415.584 4.587 50 0 HJAARN CCCCCSc1nc2ccccc2n1CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000012549970 568852328 /nfs/dbraw/zinc/85/23/28/568852328.db2.gz XZKWVTKHBILPPM-UHFFFAOYSA-N 0 0 424.570 4.766 50 0 HJAARN CCN1c2cc(C(=O)NCCc3ccccc3)ccc2Sc2ccccc2C1=O ZINC000003060488 568852593 /nfs/dbraw/zinc/85/25/93/568852593.db2.gz LYASPYNEPAZCIZ-UHFFFAOYSA-N 0 0 402.519 4.790 50 0 HJAARN COc1cccc(/C=C2/Sc3ccc(C(=O)NC4CCCCC4)cc3NC2=O)c1 ZINC000003060756 568852621 /nfs/dbraw/zinc/85/26/21/568852621.db2.gz QSNIFOOQFRJQKN-FYJGNVAPSA-N 0 0 408.523 4.843 50 0 HJAARN CCOc1ccc(-c2nc(CSCC(=O)NCc3cccs3)c(C)o2)cc1 ZINC000003063476 568853092 /nfs/dbraw/zinc/85/30/92/568853092.db2.gz ONSQVOYLSBFHEX-UHFFFAOYSA-N 0 0 402.541 4.660 50 0 HJAARN Cc1cc(C)c(NC(=O)COC(=O)c2c3ccccc3nc3c2CCCC3)c(C)c1 ZINC000003302567 568853109 /nfs/dbraw/zinc/85/31/09/568853109.db2.gz ZEVIUONHSAHVBY-UHFFFAOYSA-N 0 0 402.494 4.834 50 0 HJAARN Cc1ccnc(-n2c(S[C@H](C)C(=O)c3ccc(F)cc3)nc3ccccc3c2=O)c1 ZINC000012551099 568853142 /nfs/dbraw/zinc/85/31/42/568853142.db2.gz APGCDBIUAXEHLQ-OAHLLOKOSA-N 0 0 419.481 4.592 50 0 HJAARN Cc1ccc(-c2nn(CC(=O)N[C@H]3CCCc4ccccc43)c(=O)c3ccccc32)cc1 ZINC000003063777 568853229 /nfs/dbraw/zinc/85/32/29/568853229.db2.gz SZHSJXKNAFBRBZ-DEOSSOPVSA-N 0 0 423.516 4.566 50 0 HJAARN COC(=O)[C@](C)(Cl)Cc1ccc(-c2ccc(C[C@@](C)(Cl)C(=O)OC)cc2)cc1 ZINC000003065621 568853418 /nfs/dbraw/zinc/85/34/18/568853418.db2.gz KIGXIBJSKGLUHZ-FGZHOGPDSA-N 0 0 423.336 4.780 50 0 HJAARN O=C(COC(=O)c1c(Cl)cccc1Cl)N1CCC(Cc2ccccc2)CC1 ZINC000003320120 568854150 /nfs/dbraw/zinc/85/41/50/568854150.db2.gz BIKWKWHSTZOFBB-UHFFFAOYSA-N 0 0 406.309 4.632 50 0 HJAARN CCOc1cccc2c1O[C@@H](c1ccco1)N1N=C(c3ccc4c(c3)OCO4)C[C@@H]21 ZINC000227486500 568855337 /nfs/dbraw/zinc/85/53/37/568855337.db2.gz RBODANZUSHIBEF-SBUREZEXSA-N 0 0 404.422 4.649 50 0 HJAARN O=C(CSc1ccc2c(c1)OCCO2)Nc1nc(-c2cc(F)ccc2F)cs1 ZINC000003333486 568855446 /nfs/dbraw/zinc/85/54/46/568855446.db2.gz RNXOBTDYMUJVOG-UHFFFAOYSA-N 0 0 420.462 4.590 50 0 HJAARN COc1ccc(Nc2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1 ZINC000012557377 568856243 /nfs/dbraw/zinc/85/62/43/568856243.db2.gz AZTCGFAEWBYNBK-UHFFFAOYSA-N 0 0 408.454 4.717 50 0 HJAARN Clc1ccc(OCc2nnc(SCc3noc(-c4cccs4)n3)o2)cc1 ZINC000030024875 568856419 /nfs/dbraw/zinc/85/64/19/568856419.db2.gz VARFKLHVRKTVKY-UHFFFAOYSA-N 0 0 406.876 4.706 50 0 HJAARN O=C(CSc1ccc(C(F)(F)F)cn1)N[C@H]1CCSc2c(F)cccc21 ZINC000057666877 568857744 /nfs/dbraw/zinc/85/77/44/568857744.db2.gz TXEFXYHHGHXGQB-ZDUSSCGKSA-N 0 0 402.438 4.685 50 0 HJAARN O=C(Nc1cccc(CN2CCCC2=O)c1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000030128548 568858022 /nfs/dbraw/zinc/85/80/22/568858022.db2.gz LCDAEZOVWQNSPB-UHFFFAOYSA-N 0 0 422.488 4.672 50 0 HJAARN CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)c1 ZINC000030214988 568858973 /nfs/dbraw/zinc/85/89/73/568858973.db2.gz OARUZPDEFLDNPH-UHFFFAOYSA-N 0 0 414.868 4.999 50 0 HJAARN Cc1nc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)nn1-c1ccc(Cl)cc1 ZINC000012567334 568860768 /nfs/dbraw/zinc/86/07/68/568860768.db2.gz WWVYIONCWPLMSQ-UHFFFAOYSA-N 0 0 410.861 4.523 50 0 HJAARN CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nnc2sc3ccccc3n12 ZINC000003495586 568861184 /nfs/dbraw/zinc/86/11/84/568861184.db2.gz JUXAOCOSVYLZOG-UHFFFAOYSA-N 0 0 410.568 4.863 50 0 HJAARN Brc1ccccc1-c1nc(SCc2nc(-c3ccccc3)no2)n[nH]1 ZINC000012569306 568861413 /nfs/dbraw/zinc/86/14/13/568861413.db2.gz AOTNADWYSXEECY-UHFFFAOYSA-N 0 0 414.288 4.577 50 0 HJAARN O=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000003226699 568864234 /nfs/dbraw/zinc/86/42/34/568864234.db2.gz LKFIISIYXOWJND-UHFFFAOYSA-N 0 0 413.779 4.504 50 0 HJAARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(C(C)C)cc2)N2C(=O)[C@@H](C)SC2=N1 ZINC000003636563 568865092 /nfs/dbraw/zinc/86/50/92/568865092.db2.gz GQWPDVZXUMZGNF-BEFAXECRSA-N 0 0 400.544 4.658 50 0 HJAARN CCCCNC(=O)CCSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)n1 ZINC000003645249 568865993 /nfs/dbraw/zinc/86/59/93/568865993.db2.gz CHGZLEOQXNSULN-UHFFFAOYSA-N 0 0 413.465 4.570 50 0 HJAARN CN(Cc1ccccc1)C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000003240009 568866219 /nfs/dbraw/zinc/86/62/19/568866219.db2.gz SCQJTVXXENCFDQ-UHFFFAOYSA-N 0 0 420.563 4.747 50 0 HJAARN CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN(C)Cc1ccccc1 ZINC000012586825 568866981 /nfs/dbraw/zinc/86/69/81/568866981.db2.gz PQDMXLBTFFKBEO-UHFFFAOYSA-N 0 0 408.523 4.662 50 0 HJAARN COC(=O)c1ccc(COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1 ZINC000003251712 568867857 /nfs/dbraw/zinc/86/78/57/568867857.db2.gz HLLMPRHICDRIGE-UHFFFAOYSA-N 0 0 408.837 4.715 50 0 HJAARN O=C(COC(=O)[C@H](Sc1ccccc1)c1ccccc1)Nc1cc(F)ccc1F ZINC000003264480 568869839 /nfs/dbraw/zinc/86/98/39/568869839.db2.gz WFXYCLVYPHQQCR-OAQYLSRUSA-N 0 0 413.445 4.980 50 0 HJAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)Cc1ccc(Br)cc1 ZINC000012600866 568869885 /nfs/dbraw/zinc/86/98/85/568869885.db2.gz GNKPYOJGVNRVQX-OLMNPRSZSA-N 0 0 411.336 4.539 50 0 HJAARN CCOc1ccc([C@@H](C)NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1 ZINC000012602521 568870433 /nfs/dbraw/zinc/87/04/33/568870433.db2.gz HPCOEJKWESAPFN-MRXNPFEDSA-N 0 0 405.523 4.881 50 0 HJAARN C[C@@]1(C(=O)NC(=S)N(CCc2ccccc2)Cc2ccccc2)CC1(Cl)Cl ZINC000003281158 568871641 /nfs/dbraw/zinc/87/16/41/568871641.db2.gz GZDXSNVIWTUKRU-FQEVSTJZSA-N 0 0 421.393 4.716 50 0 HJAARN COc1cc(C(=O)Nc2nc3ccc(C)cc3s2)ccc1OCc1cscn1 ZINC000030572629 568871984 /nfs/dbraw/zinc/87/19/84/568871984.db2.gz FXISKLUESKKBBX-UHFFFAOYSA-N 0 0 411.508 4.901 50 0 HJAARN CCCc1cc(=O)oc2cc(OCCOc3cccc(Br)c3)ccc12 ZINC000003292045 568873919 /nfs/dbraw/zinc/87/39/19/568873919.db2.gz GOJXEWXSTSEYCA-UHFFFAOYSA-N 0 0 403.272 4.966 50 0 HJAARN COc1ccc(-c2n[nH]cc2CNc2nc(C)c(-c3ccn(CC4CC4)n3)s2)cc1 ZINC000299773149 568874428 /nfs/dbraw/zinc/87/44/28/568874428.db2.gz BOWXBOVYTKQJPE-UHFFFAOYSA-N 0 0 420.542 4.736 50 0 HJAARN O=C(COC(=O)CCc1nc2ccccc2s1)Nc1c(Cl)cccc1Cl ZINC000003302616 568876968 /nfs/dbraw/zinc/87/69/68/568876968.db2.gz SPTXDQYDHDGQBX-UHFFFAOYSA-N 0 0 409.294 4.718 50 0 HJAARN CCOc1ccccc1NC(=O)CNc1ccc(Br)c(C(F)(F)F)c1 ZINC000003304888 568877296 /nfs/dbraw/zinc/87/72/96/568877296.db2.gz GLJKZJKNVQFHER-UHFFFAOYSA-N 0 0 417.225 4.917 50 0 HJAARN O=C(Cn1c(=S)[nH]nc1-c1cccs1)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000012620530 568877320 /nfs/dbraw/zinc/87/73/20/568877320.db2.gz PTHMANSYLBNBQN-GFCCVEGCSA-N 0 0 422.988 4.676 50 0 HJAARN CC1(C)Cc2c3ccccc3ccc2C(N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])=[NH+]1 ZINC000004027532 568878313 /nfs/dbraw/zinc/87/83/13/568878313.db2.gz OVPAWNHGQLHHAC-HSZRJFAPSA-N 0 0 411.505 4.688 50 0 biogenic HJAARN Cc1ccc2nc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccccc3)sc2c1 ZINC000003313161 568878631 /nfs/dbraw/zinc/87/86/31/568878631.db2.gz YQCVFPMCUULGTI-HXUWFJFHSA-N 0 0 415.518 4.585 50 0 HJAARN Cc1ccc2cc(CCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)c(=O)[nH]c2c1 ZINC000004032846 568879057 /nfs/dbraw/zinc/87/90/57/568879057.db2.gz CRDXUNKEHJCTFA-UHFFFAOYSA-N 0 0 408.929 4.661 50 0 HJAARN CCOc1ccc2nc(-c3ccc(NC(=S)NC[C@@H]4CCCO4)cc3)sc2c1 ZINC000003315175 568879203 /nfs/dbraw/zinc/87/92/03/568879203.db2.gz JOOJVUPTTBOBEO-KRWDZBQOSA-N 0 0 413.568 4.827 50 0 HJAARN O=C(c1c[nH]c2ccccc12)[C@@H](Sc1nnnn1-c1ccccc1)c1ccccc1 ZINC000003320919 568880453 /nfs/dbraw/zinc/88/04/53/568880453.db2.gz AFSPJGKFYCZBKT-QFIPXVFZSA-N 0 0 411.490 4.860 50 0 HJAARN CC(C)c1ccc(Nc2nnc(SCC(=O)NCc3cccs3)s2)cc1 ZINC000003325580 568881156 /nfs/dbraw/zinc/88/11/56/568881156.db2.gz YDVLVTSOHVHZLW-UHFFFAOYSA-N 0 0 404.586 4.875 50 0 HJAARN O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccc(Br)o1 ZINC000004063007 568881581 /nfs/dbraw/zinc/88/15/81/568881581.db2.gz BGXYLYUFBUOJQB-UHFFFAOYSA-N 0 0 400.257 4.966 50 0 aggregator HJAARN O=C(COC(=O)Cc1ccc(Cl)cc1Cl)Nc1ccc(OC(F)(F)F)cc1 ZINC000003329438 568881688 /nfs/dbraw/zinc/88/16/88/568881688.db2.gz RJJRSVMELQYMCU-UHFFFAOYSA-N 0 0 422.186 4.616 50 0 HJAARN COc1ccc2c(Cl)c(C(=O)OCC(=O)NCc3ccccc3)sc2c1Cl ZINC000003332974 568882277 /nfs/dbraw/zinc/88/22/77/568882277.db2.gz BDUQSDGQZVZBBN-UHFFFAOYSA-N 0 0 424.305 4.690 50 0 HJAARN COc1cc(CCC(=O)Nc2ccccc2Cc2ccccc2)cc(OC)c1OC ZINC000003332678 568882294 /nfs/dbraw/zinc/88/22/94/568882294.db2.gz AUBSOHHHFZPLAB-UHFFFAOYSA-N 0 0 405.494 4.875 50 0 HJAARN CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccc2c(c1)OCO2)CO3 ZINC000058090611 568884201 /nfs/dbraw/zinc/88/42/01/568884201.db2.gz ATPLFCDUNSGWRP-UHFFFAOYSA-N 0 0 407.466 4.525 50 0 biogenic HJAARN Cc1noc(C)c1CSc1nnc([C@@H]2COc3ccccc3O2)n1-c1ccccc1 ZINC000003352873 568886013 /nfs/dbraw/zinc/88/60/13/568886013.db2.gz PUQVYGNIAGOMSM-FQEVSTJZSA-N 0 0 420.494 4.677 50 0 HJAARN COc1ccc(-c2nc(C(=O)O[C@@H](C)c3nc4ccccc4[nH]3)cs2)cc1OC ZINC000058105884 568886385 /nfs/dbraw/zinc/88/63/85/568886385.db2.gz AKTJSNZBSZCJAM-LBPRGKRZSA-N 0 0 409.467 4.622 50 0 HJAARN C[C@@H](Sc1nnc(NC2CCCCC2)s1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000003356416 568886909 /nfs/dbraw/zinc/88/69/09/568886909.db2.gz VUNRUCXGKWNVBN-KDOFPFPSSA-N 0 0 416.616 4.957 50 0 HJAARN Cc1cc(C(=O)CSc2nnc(-c3ccccc3)n2C)c(C)n1Cc1cccs1 ZINC000003372995 568890872 /nfs/dbraw/zinc/89/08/72/568890872.db2.gz OLIHJCIYHCCKGV-UHFFFAOYSA-N 0 0 422.579 4.985 50 0 HJAARN Cc1ccc(C)c(NC(=S)Nn2cnc3scc(-c4cccs4)c3c2=O)c1 ZINC000003381971 568892712 /nfs/dbraw/zinc/89/27/12/568892712.db2.gz AVMWMAIVLBPQFN-UHFFFAOYSA-N 0 0 412.565 4.744 50 0 HJAARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccnc(Sc2ccccn2)c1 ZINC000058163055 568894968 /nfs/dbraw/zinc/89/49/68/568894968.db2.gz HTNWDBNEYWYWGB-UHFFFAOYSA-N 0 0 402.479 4.772 50 0 HJAARN Cc1ccsc1C(=O)O[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000003398255 568895734 /nfs/dbraw/zinc/89/57/34/568895734.db2.gz YWBWNIUELHLTRA-SNVBAGLBSA-N 0 0 408.451 4.642 50 0 HJAARN C[C@H](NC(=O)Nc1cccc(CN2CCCC2=O)c1)c1ccc(Cl)c(Cl)c1 ZINC000058171784 568896405 /nfs/dbraw/zinc/89/64/05/568896405.db2.gz HUQKQDCMUHFNCA-ZDUSSCGKSA-N 0 0 406.313 4.999 50 0 HJAARN Cc1ccc(CNC(=O)c2ccccc2SCC(=O)NCC2CCCCC2)cc1 ZINC000003408799 568897621 /nfs/dbraw/zinc/89/76/21/568897621.db2.gz NIBKRFZDSHDOBK-UHFFFAOYSA-N 0 0 410.583 4.714 50 0 HJAARN C[C@@H](NC(=O)CSc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)c1ccccc1 ZINC000003411778 568898323 /nfs/dbraw/zinc/89/83/23/568898323.db2.gz LFHDFJYIGLLENY-CQSZACIVSA-N 0 0 421.547 4.621 50 0 HJAARN CSCC[C@H](NCC(=O)Nc1c(Cl)cccc1Cl)c1nc2ccccc2[nH]1 ZINC000003412942 568898447 /nfs/dbraw/zinc/89/84/47/568898447.db2.gz CXOPCKHXCXIOAS-INIZCTEOSA-N 0 0 423.369 4.892 50 0 HJAARN Clc1ccc(-n2nnnc2SCc2c(-c3ccccc3)nc3sccn23)cc1 ZINC000003412639 568898461 /nfs/dbraw/zinc/89/84/61/568898461.db2.gz PPAKJFFVFDRMHQ-UHFFFAOYSA-N 0 0 424.942 4.984 50 0 aggregator HJAARN Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccc(OC(F)F)cc3)cc2C1=O ZINC000003422771 568900268 /nfs/dbraw/zinc/90/02/68/568900268.db2.gz MRSQOGGFSBQTLW-UHFFFAOYSA-N 0 0 422.387 4.649 50 0 HJAARN Cc1ccc(C)c(-c2nnc(OCC(=O)N3CCc4ccccc43)c3ccccc32)c1 ZINC000003427044 568900565 /nfs/dbraw/zinc/90/05/65/568900565.db2.gz IPGKAIJRURLVRT-UHFFFAOYSA-N 0 0 409.489 4.882 50 0 HJAARN COc1cc(Cl)c(C)cc1NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000003432207 568902033 /nfs/dbraw/zinc/90/20/33/568902033.db2.gz FJWJSBXGPMLTHQ-UHFFFAOYSA-N 0 0 400.828 4.746 50 0 HJAARN O=C(COc1ccc(Br)cc1Cl)Nc1ccccc1Br ZINC000003445071 568904516 /nfs/dbraw/zinc/90/45/16/568904516.db2.gz QHOJOTZTQOLCOG-UHFFFAOYSA-N 0 0 419.500 4.883 50 0 HJAARN Cc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1N1CCCCC1=O ZINC000005441821 568906913 /nfs/dbraw/zinc/90/69/13/568906913.db2.gz GPUGWPDRUXSOHC-UHFFFAOYSA-N 0 0 407.297 4.836 50 0 HJAARN O=C(COc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1)Nc1cccc(Cl)c1 ZINC000001237951 568907058 /nfs/dbraw/zinc/90/70/58/568907058.db2.gz ULJBCQKBLSJDAX-UHFFFAOYSA-N 0 0 421.836 4.837 50 0 biogenic HJAARN Cc1ccc(Nc2nnc(SCC(=O)N[C@@H]3CCCc4ccccc43)s2)cc1 ZINC000003469743 568907628 /nfs/dbraw/zinc/90/76/28/568907628.db2.gz GMTVFJPHGZFZFG-GOSISDBHSA-N 0 0 410.568 4.876 50 0 HJAARN CCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(C)cc1)[C@H](C)CCC3 ZINC000001248975 568908578 /nfs/dbraw/zinc/90/85/78/568908578.db2.gz GGYWAJITJQNGRM-CYBMUJFWSA-N 0 0 410.568 4.955 50 0 HJAARN CCOc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000003487098 568908965 /nfs/dbraw/zinc/90/89/65/568908965.db2.gz AOMFDKWZVXZPKU-UHFFFAOYSA-N 0 0 407.841 4.578 50 0 HJAARN Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3nn(-c4ccccc4)c4c3CCC4)nc2c1 ZINC000058297614 568909307 /nfs/dbraw/zinc/90/93/07/568909307.db2.gz ALKSHDLNJSUQGJ-JOCHJYFZSA-N 0 0 411.509 4.523 50 0 HJAARN Cc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccc(OC(C)C)cc5)no4)cc3CO2)cc1 ZINC000263615487 568910105 /nfs/dbraw/zinc/91/01/05/568910105.db2.gz CRVFDIZZHUXJNN-QFIPXVFZSA-N 0 0 416.481 4.967 50 0 HJAARN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3ccsc3)c2)cc1 ZINC000058305127 568910418 /nfs/dbraw/zinc/91/04/18/568910418.db2.gz PHVQSVQJTMEDHC-OAHLLOKOSA-N 0 0 414.552 4.744 50 0 HJAARN Fc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccc(Cl)c(F)c5)no4)cc3CO2)cc1 ZINC000263616337 568910885 /nfs/dbraw/zinc/91/08/85/568910885.db2.gz IDOGPDCQEUJNIG-SFHVURJKSA-N 0 0 414.799 4.803 50 0 HJAARN Fc1ccc([C@H]2Cn3cnc(-c4nc(-c5ccc(Cl)c(F)c5)no4)c3CO2)cc1 ZINC000263617092 568911282 /nfs/dbraw/zinc/91/12/82/568911282.db2.gz MARINNXHGHKIOO-QGZVFWFLSA-N 0 0 414.799 4.803 50 0 HJAARN CCOc1ccc([C@@H]2Cn3nc(-c4nc(-c5cccc(Cl)c5)no4)cc3CO2)cc1 ZINC000263618214 568912542 /nfs/dbraw/zinc/91/25/42/568912542.db2.gz RTTYBZLCTKOYAQ-FQEVSTJZSA-N 0 0 422.872 4.924 50 0 HJAARN CCCN(CCC)S(=O)(=O)c1cccc(C(=O)Nc2c(C)cccc2CC)c1 ZINC000003548587 568914258 /nfs/dbraw/zinc/91/42/58/568914258.db2.gz YVIIVSHEQYAMFK-UHFFFAOYSA-N 0 0 402.560 4.620 50 0 HJAARN COc1ccc(-c2nc(NC(=O)c3cncc(Br)c3)sc2C)cc1 ZINC000003560628 568915829 /nfs/dbraw/zinc/91/58/29/568915829.db2.gz CJEUETZZIFGRDE-UHFFFAOYSA-N 0 0 404.289 4.537 50 0 HJAARN CC(C)CN(CC(C)C)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000003580162 568916808 /nfs/dbraw/zinc/91/68/08/568916808.db2.gz DUSVLVUBEIVVIL-UHFFFAOYSA-N 0 0 423.582 4.618 50 0 HJAARN CC(C)(C)[C@H]1CCc2sc(C(=O)N(Cc3ccc(C(N)=O)cc3)C3CC3)cc2C1 ZINC000031169141 568916930 /nfs/dbraw/zinc/91/69/30/568916930.db2.gz HZQXMJQMDNCJSM-SFHVURJKSA-N 0 0 410.583 4.803 50 0 HJAARN O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000031177279 568917466 /nfs/dbraw/zinc/91/74/66/568917466.db2.gz IVLLWJNWJYGHED-IBGZPJMESA-N 0 0 416.905 4.745 50 0 HJAARN Cc1ccc([C@@H](C)CC[NH+]2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)o1 ZINC000012701469 568917472 /nfs/dbraw/zinc/91/74/72/568917472.db2.gz CNXZVMATBICWJT-IBGZPJMESA-N 0 0 410.558 4.861 50 0 HJAARN Cc1cc(C)nc(Sc2ccc(NC(=O)c3cnc(-c4ccccc4)nc3)cc2)n1 ZINC000058419155 568917543 /nfs/dbraw/zinc/91/75/43/568917543.db2.gz QYDODGHLNVRMLQ-UHFFFAOYSA-N 0 0 413.506 4.954 50 0 HJAARN Fc1ccc(-n2nnc3c2ncnc3SCc2cccc(C(F)(F)F)c2)cc1 ZINC000004166714 568919365 /nfs/dbraw/zinc/91/93/65/568919365.db2.gz XTBXKBURXOVYBB-UHFFFAOYSA-N 0 0 405.380 4.661 50 0 HJAARN CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000031246177 568920538 /nfs/dbraw/zinc/92/05/38/568920538.db2.gz DNYWRCJWMUKALB-UHFFFAOYSA-N 0 0 406.448 4.548 50 0 HJAARN O=c1[nH]c(CN2CCCC[C@H]2c2nc3ccccc3s2)nc2ccc(Cl)cc12 ZINC000012727498 568920927 /nfs/dbraw/zinc/92/09/27/568920927.db2.gz AELAXXYKULNQSK-KRWDZBQOSA-N 0 0 410.930 4.913 50 0 HJAARN O=C1C(=O)N(Cc2ccc3c(c2)OCO3)[C@@H](c2ccc(F)c(F)c2)C1c1ccccc1 ZINC000045942614 568921109 /nfs/dbraw/zinc/92/11/09/568921109.db2.gz SVPTVBACFBEUSR-QFIPXVFZSA-N 0 0 421.399 4.746 50 0 HJAARN COc1ccc(CCNC(=O)C[C@H](c2ccccc2)c2cccc(C)c2O)cc1OC ZINC000003633568 568921593 /nfs/dbraw/zinc/92/15/93/568921593.db2.gz GLRGJNKSMLFADF-JOCHJYFZSA-N 0 0 419.521 4.599 50 0 biogenic HJAARN COc1ccc([C@@H]2[C@H](C(=O)Nc3cccc(Cl)c3)c3ccccc3C(=O)N2C)cc1 ZINC000003657649 568923160 /nfs/dbraw/zinc/92/31/60/568923160.db2.gz PDZXRMVDGRIYDI-FGZHOGPDSA-N 0 0 420.896 4.898 50 0 HJAARN COc1ccc(S(=O)(=O)Cc2c3ccccc3oc2C(=O)c2ccccc2)cc1 ZINC000001388652 568923262 /nfs/dbraw/zinc/92/32/62/568923262.db2.gz INUKOENDCBBJJG-UHFFFAOYSA-N 0 0 406.459 4.646 50 0 HJAARN CCOc1ncccc1CNC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC000031325850 568923419 /nfs/dbraw/zinc/92/34/19/568923419.db2.gz JVCUUPCIHHWYOS-UHFFFAOYSA-N 0 0 417.440 4.871 50 0 HJAARN COc1cc(CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1OC ZINC000031335545 568924303 /nfs/dbraw/zinc/92/43/03/568924303.db2.gz XKSHUKVYUIUAFI-GFCCVEGCSA-N 0 0 412.313 4.781 50 0 HJAARN c1c(-c2ccccc2)sc2ncnc(NCc3nnc4n3-c3ccccc3CC4)c12 ZINC000012736770 568925470 /nfs/dbraw/zinc/92/54/70/568925470.db2.gz WEPWABIOASLVNW-UHFFFAOYSA-N 0 0 410.506 4.650 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c32)cc1Cl ZINC000012738645 568926258 /nfs/dbraw/zinc/92/62/58/568926258.db2.gz NAOGEINEHPIGJH-UHFFFAOYSA-N 0 0 410.817 4.655 50 0 HJAARN CCCCNC(=O)c1nn2c(nc(-c3ccc(C)cc3)cc2C(F)(F)F)c1Cl ZINC000004181747 568928086 /nfs/dbraw/zinc/92/80/86/568928086.db2.gz ASSQWDNDYFOCDB-UHFFFAOYSA-N 0 0 410.827 4.907 50 0 HJAARN O=C(OC[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O)c1ccccc1Cl ZINC000001406647 568928225 /nfs/dbraw/zinc/92/82/25/568928225.db2.gz WJDOZGUZOCRTDI-IBGZPJMESA-N 0 0 405.881 4.764 50 0 HJAARN COc1cccc(CN(Cc2ccc(F)cc2Br)C2CCC(O)CC2)c1 ZINC000083973420 568929173 /nfs/dbraw/zinc/92/91/73/568929173.db2.gz BKPFPMFUQVXGPJ-UHFFFAOYSA-N 0 0 422.338 4.903 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000012741668 568929614 /nfs/dbraw/zinc/92/96/14/568929614.db2.gz HWGRJAGAQTWFOI-GFCCVEGCSA-N 0 0 416.308 4.856 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000012741670 568929738 /nfs/dbraw/zinc/92/97/38/568929738.db2.gz HWGRJAGAQTWFOI-LBPRGKRZSA-N 0 0 416.308 4.856 50 0 HJAARN Cn1ccnc1SC[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000003983847 568931209 /nfs/dbraw/zinc/93/12/09/568931209.db2.gz RNFUORZCJMHGLE-HYUOFNBHSA-N 0 0 416.631 4.567 50 0 biogenic HJAARN COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1cc2oc3ccccc3c2cc1OC ZINC000003999912 568932006 /nfs/dbraw/zinc/93/20/06/568932006.db2.gz LDSRSSNPXDMHOZ-JOCHJYFZSA-N 0 0 405.406 4.893 50 0 biogenic HJAARN COc1cccc(C(=O)Nc2ccccc2-c2nnc(-c3cccc(OC)c3)o2)c1 ZINC000004722501 568932941 /nfs/dbraw/zinc/93/29/41/568932941.db2.gz AYCASLARPRSPKO-UHFFFAOYSA-N 0 0 401.422 4.673 50 0 HJAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@]32CCOC(C)(C)C2)cc1OC ZINC000004029865 568934444 /nfs/dbraw/zinc/93/44/44/568934444.db2.gz LWRLBQILWIOHKS-CYFREDJKSA-N 0 0 408.498 4.533 50 0 biogenic HJAARN CC(C)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000004033473 568934994 /nfs/dbraw/zinc/93/49/94/568934994.db2.gz XKJRBELXYAUGBQ-OAHLLOKOSA-N 0 0 412.331 4.975 50 0 HJAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@]32CCOC(C)(C)C2)c(OC)c1 ZINC000004037641 568935710 /nfs/dbraw/zinc/93/57/10/568935710.db2.gz VRFITYPURADBAC-GBXCKJPGSA-N 0 0 408.498 4.533 50 0 biogenic HJAARN COc1ccc([C@H]2c3cccn3CCN2C(=S)Nc2cccc(C)c2C)cc1OC ZINC000004059490 568936931 /nfs/dbraw/zinc/93/69/31/568936931.db2.gz BXQKJBRRINDTRE-QHCPKHFHSA-N 0 0 421.566 4.924 50 0 HJAARN O=C(CSc1cn(Cc2ccccc2Cl)c2ccccc12)NC[C@@H]1CCCO1 ZINC000004060840 568937014 /nfs/dbraw/zinc/93/70/14/568937014.db2.gz DALZNPPAHKIMNL-KRWDZBQOSA-N 0 0 414.958 4.730 50 0 HJAARN CCOC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000004073929 568938080 /nfs/dbraw/zinc/93/80/80/568938080.db2.gz ZFVNCIMEWULGEX-BLIZOZELSA-N 0 0 420.634 4.956 50 0 biogenic HJAARN Cc1cc(-c2noc(-c3ccccc3I)n2)c2ccccc2n1 ZINC000001428569 568939575 /nfs/dbraw/zinc/93/95/75/568939575.db2.gz HBTRJSQYWAEMCE-UHFFFAOYSA-N 0 0 413.218 4.865 50 0 HJAARN CC(C)(C)c1nc(CSc2nnc(Cc3ccccc3)n2-c2ccccc2)no1 ZINC000046587842 568940974 /nfs/dbraw/zinc/94/09/74/568940974.db2.gz PGGQVHNVVFERIB-UHFFFAOYSA-N 0 0 405.527 4.831 50 0 HJAARN Cc1cc(C)cc(-n2nc3c(c2NC(=O)c2cc4ccccc4oc2=O)CSC3)c1 ZINC000004087669 568941032 /nfs/dbraw/zinc/94/10/32/568941032.db2.gz ZRKDEJSYVHKKAX-UHFFFAOYSA-N 0 0 417.490 4.595 50 0 HJAARN COc1cc(C)c(NC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)cc1OC ZINC000012752409 568941671 /nfs/dbraw/zinc/94/16/71/568941671.db2.gz UKBRVEZONPEQFF-UHFFFAOYSA-N 0 0 407.894 4.961 50 0 HJAARN COc1cc(-c2nc(CN3CCC[C@H](OCc4ccccc4)C3)c(C)o2)ccc1F ZINC000012753075 568941766 /nfs/dbraw/zinc/94/17/66/568941766.db2.gz AVFTVBCYKFWION-FQEVSTJZSA-N 0 0 410.489 4.979 50 0 HJAARN Cc1oc(C)c2c1c(=O)cc(-c1ccc3c(c1)OCO3)cc2OC(=O)c1ccco1 ZINC000004090858 568942162 /nfs/dbraw/zinc/94/21/62/568942162.db2.gz ZESXFKGDURDJLS-UHFFFAOYSA-N 0 0 404.374 4.618 50 0 biogenic HJAARN COc1ccc(/C=C/C(=O)NC(=S)Nc2c(C)cc(Br)cc2C)cc1 ZINC000004090967 568942458 /nfs/dbraw/zinc/94/24/58/568942458.db2.gz XDUVLXZTDHCVSW-RMKNXTFCSA-N 0 0 419.344 4.601 50 0 HJAARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2ccc(OC)c(Cl)c2)cc1 ZINC000004100599 568942626 /nfs/dbraw/zinc/94/26/26/568942626.db2.gz XFQSRPXFVYBNJL-NRFANRHFSA-N 0 0 409.873 4.519 50 0 HJAARN O=C(Nc1nnc(-c2ccc3c(c2)OCCO3)o1)c1ccc(Oc2ccccc2)cc1 ZINC000004107171 568943489 /nfs/dbraw/zinc/94/34/89/568943489.db2.gz RGENPHUHZBRBHW-UHFFFAOYSA-N 0 0 415.405 4.552 50 0 HJAARN CCOc1ccc(C(=O)N2CCN=C2SCc2cc(C)ccc2C)cc1OCC ZINC000004120310 568944602 /nfs/dbraw/zinc/94/46/02/568944602.db2.gz NAFFPMWRTAHDAO-UHFFFAOYSA-N 0 0 412.555 4.846 50 0 HJAARN C[C@@H](Oc1ccccc1)C(=O)N1CCN=C1SCc1ccc(C(F)(F)F)cc1 ZINC000004120478 568944884 /nfs/dbraw/zinc/94/48/84/568944884.db2.gz GBBRAIKXMMJSOE-CQSZACIVSA-N 0 0 408.445 4.604 50 0 HJAARN CCc1cccc(CC)c1NC(=O)CSc1nnc(Cc2ccccc2)n1CC ZINC000004130187 568945212 /nfs/dbraw/zinc/94/52/12/568945212.db2.gz MEOTYGWNOHZAOR-UHFFFAOYSA-N 0 0 408.571 4.744 50 0 HJAARN Cn1c(CSc2nnc(-c3ccccc3F)n2C2CC2)nnc1-c1ccccc1 ZINC000084307068 568945749 /nfs/dbraw/zinc/94/57/49/568945749.db2.gz GRPUNJHUPWAHCS-UHFFFAOYSA-N 0 0 406.490 4.507 50 0 HJAARN CCOC(=O)c1c2c(sc1NC(=O)c1ccc3ncsc3c1)SCCC2 ZINC000012762390 568946760 /nfs/dbraw/zinc/94/67/60/568946760.db2.gz IHTPGTMMIPHILP-UHFFFAOYSA-N 0 0 404.538 4.825 50 0 HJAARN CCN(CC)c1ccc(C[C@@H]2c3ccccc3CN3c4ccccc4C(=O)N[C@H]23)cc1 ZINC000004158725 568947360 /nfs/dbraw/zinc/94/73/60/568947360.db2.gz MHYKHABQBMXVEA-RSXGOPAZSA-N 0 0 411.549 4.949 50 0 HJAARN O=c1[nH]c(-c2ccc(COCC(F)(F)F)cc2)nc2sc3c(c21)CCCCC3 ZINC000084403262 568948586 /nfs/dbraw/zinc/94/85/86/568948586.db2.gz FCEHUILHCYBBPH-UHFFFAOYSA-N 0 0 408.445 4.999 50 0 HJAARN C[C@H](NC(=O)CSC1=N[C@@H](C(F)(F)F)C[C@H](c2ccccc2)N1)c1ccccc1 ZINC000004178740 568949054 /nfs/dbraw/zinc/94/90/54/568949054.db2.gz KLTKPYODGQZHHJ-BMGDILEWSA-N 0 0 421.488 4.619 50 0 HJAARN COc1ccc(CNC(=O)c2cnc(Nc3ccccc3OC)c3ccccc23)cc1 ZINC000004192640 568950493 /nfs/dbraw/zinc/95/04/93/568950493.db2.gz OZUFFCBXJIEEEC-UHFFFAOYSA-N 0 0 413.477 4.926 50 0 HJAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@@H](C)c3ccccc3)cc2)cc1C ZINC000015570628 568950706 /nfs/dbraw/zinc/95/07/06/568950706.db2.gz FBGDRJIHLYHBTN-IBGZPJMESA-N 0 0 422.550 4.937 50 0 HJAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)[C@H](C)c3ccccc3)cc2)cc1C ZINC000015570627 568950713 /nfs/dbraw/zinc/95/07/13/568950713.db2.gz FBGDRJIHLYHBTN-LJQANCHMSA-N 0 0 422.550 4.937 50 0 HJAARN O=C(Nc1cccnc1)C1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000084564666 568951068 /nfs/dbraw/zinc/95/10/68/568951068.db2.gz JUGWZESUVOUOCC-UHFFFAOYSA-N 0 0 415.522 4.608 50 0 HJAARN CCOC(=O)/C=C(\C)N1N=C2c3ccc(OC)cc3CC[C@@H]2[C@H]1c1cccc(F)c1 ZINC000004205928 568951788 /nfs/dbraw/zinc/95/17/88/568951788.db2.gz XKNITNZFPVZCAL-MRVAOUDQSA-N 0 0 408.473 4.625 50 0 HJAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012774491 568953479 /nfs/dbraw/zinc/95/34/79/568953479.db2.gz AODMUENIEFXUSV-GJZGRUSLSA-N 0 0 421.324 4.638 50 0 HJAARN CCCCCc1nnc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)s1 ZINC000015606236 568954045 /nfs/dbraw/zinc/95/40/45/568954045.db2.gz OQKNEIOFYBPYRS-UHFFFAOYSA-N 0 0 404.536 4.548 50 0 HJAARN COc1ccc(CC(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)cc1OC ZINC000012775746 568954407 /nfs/dbraw/zinc/95/44/07/568954407.db2.gz KSQYJVSLGSUCJB-QYVVGCJJSA-N 0 0 413.517 4.660 50 0 HJAARN CC1(C)CC(=O)c2cc(C(=O)N3CCCC[C@H]3CCCc3ccccc3)c(=O)[nH]c2C1 ZINC000084673748 568955335 /nfs/dbraw/zinc/95/53/35/568955335.db2.gz YDYCJESJPAAGLM-IBGZPJMESA-N 0 0 420.553 4.548 50 0 HJAARN C[C@H]1CN(C(=O)NC[C@@H]2CCN(c3cccc(Br)c3)C2)c2ccccc21 ZINC000084715165 568956910 /nfs/dbraw/zinc/95/69/10/568956910.db2.gz WMYCCIJQCYIBJG-HOTGVXAUSA-N 0 0 414.347 4.609 50 0 HJAARN CC(=O)c1ccc(C(=O)N(Cc2cccnc2)c2nc3c(cccc3F)s2)cc1 ZINC000004273251 568957744 /nfs/dbraw/zinc/95/77/44/568957744.db2.gz SIXYTVIGNAPROH-UHFFFAOYSA-N 0 0 405.454 4.880 50 0 HJAARN O=C(Nc1nnc(-c2ccccc2Cl)o1)c1ccc(C(=O)c2ccccc2)cc1 ZINC000004275905 568958175 /nfs/dbraw/zinc/95/81/75/568958175.db2.gz PMIWPWYNWBOGRD-UHFFFAOYSA-N 0 0 403.825 4.873 50 0 HJAARN CCc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3cccc(C)c3C)cs2)cc1 ZINC000012783820 568959168 /nfs/dbraw/zinc/95/91/68/568959168.db2.gz CEYDIXKSCNNTQF-UHFFFAOYSA-N 0 0 407.539 4.700 50 0 HJAARN COc1cccc([C@H]2Oc3ccccc3C3=Nc4ncnn4[C@H](c4cccs4)C32)c1 ZINC000004291777 568959788 /nfs/dbraw/zinc/95/97/88/568959788.db2.gz GEVQATVEGQLRGU-FGZHOGPDSA-N 0 0 414.490 4.561 50 0 HJAARN O=C(Cc1c[nH]c2ccccc12)Nc1ccc(Br)cc1Br ZINC000012785623 568959855 /nfs/dbraw/zinc/95/98/55/568959855.db2.gz WHYUAJYCNJKLSL-UHFFFAOYSA-N 0 0 408.093 4.874 50 0 HJAARN Cc1ccc(S(=O)(=O)c2c(C(=O)c3ccccc3)cnc3ccc(F)cc32)cc1 ZINC000004313901 568961275 /nfs/dbraw/zinc/96/12/75/568961275.db2.gz AENVXDXBBKWEAM-UHFFFAOYSA-N 0 0 405.450 4.746 50 0 HJAARN O=C(NCCSc1nc(-c2ccc(F)cc2)c[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000004315705 568961753 /nfs/dbraw/zinc/96/17/53/568961753.db2.gz LWADLMNQOBELDQ-UHFFFAOYSA-N 0 0 409.408 4.757 50 0 HJAARN Cc1ccc(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000004315955 568961928 /nfs/dbraw/zinc/96/19/28/568961928.db2.gz CHGMJNZAQSKMGL-UHFFFAOYSA-N 0 0 405.450 4.746 50 0 HJAARN COc1ccc(CCC(=O)NCCSc2nc(-c3ccc(Cl)cc3)c[nH]2)cc1 ZINC000004315822 568961997 /nfs/dbraw/zinc/96/19/97/568961997.db2.gz FYWDTKTVGHVWLH-UHFFFAOYSA-N 0 0 415.946 4.580 50 0 HJAARN Cc1cc(NC(=O)Nc2nnc(N3CCCC[C@@H]3C)s2)ccc1Br ZINC000015671711 568962023 /nfs/dbraw/zinc/96/20/23/568962023.db2.gz BZLVOVKKNBBJQO-NSHDSACASA-N 0 0 410.341 4.632 50 0 HJAARN CCN(CCCNC(=O)c1noc2c1CSc1ccccc1-2)c1cccc(C)c1 ZINC000015673918 568962945 /nfs/dbraw/zinc/96/29/45/568962945.db2.gz TYLJYWDIBNMYLV-UHFFFAOYSA-N 0 0 407.539 4.902 50 0 HJAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)c1ccccn1 ZINC000007980503 568963539 /nfs/dbraw/zinc/96/35/39/568963539.db2.gz AXCCPDLIOGBOAA-UHFFFAOYSA-N 0 0 402.885 4.860 50 0 HJAARN Cc1cc(C(=O)CSc2ncnc3c2cnn3-c2ccccc2)c(C)n1C1CC1 ZINC000007987442 568965267 /nfs/dbraw/zinc/96/52/67/568965267.db2.gz WUDGJZLZPXUMLE-UHFFFAOYSA-N 0 0 403.511 4.544 50 0 HJAARN Cc1ccc(-n2c(CCC(=O)NCCC3=CCCCC3)nc3ccccc3c2=O)cc1 ZINC000007988437 568965788 /nfs/dbraw/zinc/96/57/88/568965788.db2.gz PYVJHIJWSMJNLG-UHFFFAOYSA-N 0 0 415.537 4.633 50 0 HJAARN COc1cccc(CNC(=O)Cn2c(-c3cccs3)cc3ccccc32)c1OC ZINC000015679525 568967132 /nfs/dbraw/zinc/96/71/32/568967132.db2.gz XFJFAAPRCPZUET-UHFFFAOYSA-N 0 0 406.507 4.703 50 0 HJAARN CCc1nc2ccccc2n1CC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000008013452 568968534 /nfs/dbraw/zinc/96/85/34/568968534.db2.gz TUIKJVIWVIVCJP-UHFFFAOYSA-N 0 0 404.539 4.615 50 0 HJAARN Cc1ccnn1-c1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000008022819 568968908 /nfs/dbraw/zinc/96/89/08/568968908.db2.gz JMRHLRVQFVOBQU-UHFFFAOYSA-N 0 0 402.523 4.810 50 0 HJAARN Cc1[nH]nc2c1[C@H](c1ccccc1Cl)N(c1ccc(Br)cc1)C2=O ZINC000008024903 568969022 /nfs/dbraw/zinc/96/90/22/568969022.db2.gz QNCGVQYTUPXGLL-KRWDZBQOSA-N 0 0 402.679 4.884 50 0 HJAARN COc1ccc(/C=C\C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1OC ZINC000211784103 568969453 /nfs/dbraw/zinc/96/94/53/568969453.db2.gz NFDHULLTSQSCBN-NTMALXAHSA-N 0 0 408.523 4.733 50 0 HJAARN COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000008058903 568970981 /nfs/dbraw/zinc/97/09/81/568970981.db2.gz HFQVSLQQVWSJQJ-MRXNPFEDSA-N 0 0 416.326 4.536 50 0 HJAARN COc1ccc(-c2csc(NC(=O)c3cc(Cl)c4c(c3)OCCCO4)n2)cc1 ZINC000008061431 568971120 /nfs/dbraw/zinc/97/11/20/568971120.db2.gz RPVJPJUTOOMWJK-UHFFFAOYSA-N 0 0 416.886 4.886 50 0 HJAARN C[C@@H](NC(=O)CSc1nnc2n1CCCCC2)c1ccc(-c2ccccc2)cc1 ZINC000008071320 568971447 /nfs/dbraw/zinc/97/14/47/568971447.db2.gz HCVQSZUPSWQXTD-QGZVFWFLSA-N 0 0 406.555 4.641 50 0 HJAARN CCC(=O)N(c1nnc(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc32)s1)C1CC1 ZINC000008074196 568971941 /nfs/dbraw/zinc/97/19/41/568971941.db2.gz AJHKWUAESOLIIX-GFCCVEGCSA-N 0 0 414.556 4.597 50 0 HJAARN O=C(COc1cccc(C(=O)NCc2ccccc2)c1)Nc1ccc2ccccc2c1 ZINC000008121253 568974452 /nfs/dbraw/zinc/97/44/52/568974452.db2.gz OIVSFXBADUAPIK-UHFFFAOYSA-N 0 0 410.473 4.787 50 0 HJAARN CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C(=O)c3ccc(OC)cc3)o2)cc1 ZINC000008130655 568975071 /nfs/dbraw/zinc/97/50/71/568975071.db2.gz MPDJJRVZPNJJGE-HNNXBMFYSA-N 0 0 411.527 4.955 50 0 HJAARN C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000008131678 568975509 /nfs/dbraw/zinc/97/55/09/568975509.db2.gz LCIDZUAAPDLNCX-JKSUJKDBSA-N 0 0 404.539 4.603 50 0 HJAARN O=C(Cn1c2ccccc2nc1-c1cscn1)N[C@@H]1CCSc2ccccc21 ZINC000008132047 568975670 /nfs/dbraw/zinc/97/56/70/568975670.db2.gz VQKWVNCCCAHKFU-OAHLLOKOSA-N 0 0 406.536 4.513 50 0 HJAARN COc1ccc([C@H](CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)NC(C)=O)cc1 ZINC000008132428 568975784 /nfs/dbraw/zinc/97/57/84/568975784.db2.gz NULVYMFKNGSTJT-CJAUYULYSA-N 0 0 416.521 4.807 50 0 HJAARN O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccccc1Oc1ccccc1Cl ZINC000015711554 568976001 /nfs/dbraw/zinc/97/60/01/568976001.db2.gz FROWZOJIUHDRFY-UHFFFAOYSA-N 0 0 420.852 4.757 50 0 HJAARN CCOc1ccc(CN(C)C(=O)CCc2c(C)nc3c(cnn3C(C)C)c2C)cc1 ZINC000008133984 568976508 /nfs/dbraw/zinc/97/65/08/568976508.db2.gz KZWKHUXEIYWUJY-UHFFFAOYSA-N 0 0 408.546 4.619 50 0 HJAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000008135581 568976993 /nfs/dbraw/zinc/97/69/93/568976993.db2.gz AENSESYWZJHAHA-GOSISDBHSA-N 0 0 407.823 4.976 50 0 HJAARN CCn1c(=S)n(CN2CCC[C@@H]2c2ccc(OC)cc2OC)nc1-c1ccccc1 ZINC000008151280 568977459 /nfs/dbraw/zinc/97/74/59/568977459.db2.gz LMFCTTJBBAJHLW-HXUWFJFHSA-N 0 0 424.570 4.913 50 0 HJAARN Cc1cccc(NC(=O)CN(C)CC(=O)Nc2ccccc2Oc2ccccc2)c1C ZINC000008152958 568977640 /nfs/dbraw/zinc/97/76/40/568977640.db2.gz HEHSOVSXRJPUDL-UHFFFAOYSA-N 0 0 417.509 4.605 50 0 HJAARN COc1ccc(C(=O)N(Cc2ccccn2)c2nc3ccccc3s2)c(OC)c1 ZINC000004304732 568977756 /nfs/dbraw/zinc/97/77/56/568977756.db2.gz YVXGGILIRJYFGK-UHFFFAOYSA-N 0 0 405.479 4.556 50 0 HJAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2csc(-c3cccs3)n2)CC1 ZINC000015724632 568977881 /nfs/dbraw/zinc/97/78/81/568977881.db2.gz BYHHDPGPMPPMBQ-UHFFFAOYSA-N 0 0 403.960 4.796 50 0 HJAARN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1O ZINC000038205203 568979159 /nfs/dbraw/zinc/97/91/59/568979159.db2.gz SUAPRTIICPPQPX-IUXPMGMMSA-N 0 0 407.850 4.820 50 0 HJAARN CCc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000008171010 568979935 /nfs/dbraw/zinc/97/99/35/568979935.db2.gz WXHKSLPZESILAX-UHFFFAOYSA-N 0 0 417.509 4.550 50 0 HJAARN COc1ccc(C(=O)c2oc3ccc(NC(=O)c4cccnc4)cc3c2C)cc1OC ZINC000015729492 568980094 /nfs/dbraw/zinc/98/00/94/568980094.db2.gz SGXVSVRDJVHJKU-UHFFFAOYSA-N 0 0 416.433 4.637 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000012808707 568980605 /nfs/dbraw/zinc/98/06/05/568980605.db2.gz AIXZCZOOIYSTIH-UHFFFAOYSA-N 0 0 415.415 4.784 50 0 HJAARN Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC(c3ccccc3)c3ccccc3)ccc12 ZINC000012808864 568980750 /nfs/dbraw/zinc/98/07/50/568980750.db2.gz KSTNDNXXULOYIT-SFHVURJKSA-N 0 0 413.473 4.775 50 0 HJAARN CN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000008193672 568981979 /nfs/dbraw/zinc/98/19/79/568981979.db2.gz VZFVTBXUPDRYGO-UHFFFAOYSA-N 0 0 419.550 4.873 50 0 HJAARN O=C(Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)NC1CCCCC1 ZINC000008195547 568982375 /nfs/dbraw/zinc/98/23/75/568982375.db2.gz RRBZPDFCIXAOST-UHFFFAOYSA-N 0 0 422.550 4.632 50 0 HJAARN Cc1cc2c(cc1S(=O)(=O)Nc1ccc(F)cc1Cl)[nH]c1c2C(=O)CCC1 ZINC000015733807 568983327 /nfs/dbraw/zinc/98/33/27/568983327.db2.gz CZZILBSNZBDWSH-UHFFFAOYSA-N 0 0 406.866 4.589 50 0 HJAARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000008230911 568983932 /nfs/dbraw/zinc/98/39/32/568983932.db2.gz QTLDWFNUJVEZQJ-UHFFFAOYSA-N 0 0 415.829 4.656 50 0 HJAARN CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000008249700 568985096 /nfs/dbraw/zinc/98/50/96/568985096.db2.gz KFXOKPWUNDJDHX-KRWDZBQOSA-N 0 0 404.510 4.611 50 0 HJAARN O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(OC(F)(F)F)cc1 ZINC000012811405 568985478 /nfs/dbraw/zinc/98/54/78/568985478.db2.gz IDVLDAFADMYGSV-UHFFFAOYSA-N 0 0 424.463 4.637 50 0 HJAARN 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O=C(c1cc2ccc(F)cc2s1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000012932860 569025077 /nfs/dbraw/zinc/02/50/77/569025077.db2.gz QVPCHDZRVGLXQU-UHFFFAOYSA-N 0 0 411.527 4.608 50 0 HJAARN O=C(Nc1ccccc1OCC(F)(F)F)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000012934352 569026181 /nfs/dbraw/zinc/02/61/81/569026181.db2.gz VTWAXSBTLFCPJH-OAHLLOKOSA-N 0 0 421.419 4.510 50 0 HJAARN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2ccccc2)CC1 ZINC000016026272 569026550 /nfs/dbraw/zinc/02/65/50/569026550.db2.gz LIQSDGKSLXKKCW-UHFFFAOYSA-N 0 0 402.338 4.687 50 0 HJAARN CC(C)CCC[C@@H](C)NC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000026182101 569029430 /nfs/dbraw/zinc/02/94/30/569029430.db2.gz VVLVUBPQCNLFKX-CQSZACIVSA-N 0 0 420.907 4.800 50 0 HJAARN COc1ccc2[nH]cc([C@@H](C(=O)[O-])[N@@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)c2c1 ZINC000020745799 569031183 /nfs/dbraw/zinc/03/11/83/569031183.db2.gz HHZZVUFEYUXDOR-SZNDQCEHSA-N 0 0 421.522 4.792 50 0 HJAARN COc1ccc2[nH]cc([C@H](C(=O)[O-])[N@@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)c2c1 ZINC000020745798 569031245 /nfs/dbraw/zinc/03/12/45/569031245.db2.gz HHZZVUFEYUXDOR-SPLOXXLWSA-N 0 0 421.522 4.792 50 0 HJAARN Cc1ccc(NC(=O)COc2ccc(C=NNc3ccc([N+](=O)[O-])cc3)cc2)cc1C ZINC000016312446 569031284 /nfs/dbraw/zinc/03/12/84/569031284.db2.gz QIXLNGSDPUNXGJ-UHFFFAOYSA-N 0 0 418.453 4.675 50 0 HJAARN Cc1cc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c(Cl)c1 ZINC000006206134 569033031 /nfs/dbraw/zinc/03/30/31/569033031.db2.gz PXMJRBDOHPKBOU-UHFFFAOYSA-N 0 0 420.962 4.692 50 0 HJAARN COc1ccc([C@H]2CCCCCN2C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1 ZINC000026556417 569033033 /nfs/dbraw/zinc/03/30/33/569033033.db2.gz CCIIRQLNJBUTFQ-PKTZIBPZSA-N 0 0 422.525 4.570 50 0 HJAARN O=C(Cc1csc(NC(=O)Nc2ccccc2)n1)Nc1ccc(C(F)(F)F)cc1 ZINC000035375249 569033936 /nfs/dbraw/zinc/03/39/36/569033936.db2.gz KHSHJIJESKLHBH-UHFFFAOYSA-N 0 0 420.416 4.987 50 0 HJAARN CN1C[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000035375639 569034002 /nfs/dbraw/zinc/03/40/02/569034002.db2.gz OTUKDDLHXSNQFC-AYPBNUJASA-N 0 0 422.937 4.777 50 0 HJAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1nc(-c2ccccc2)nnc1-c1ccccc1 ZINC000006242369 569034577 /nfs/dbraw/zinc/03/45/77/569034577.db2.gz MCWYINJNINDOIH-UHFFFAOYSA-N 0 0 410.521 4.904 50 0 HJAARN Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)NCCC4=CCCCC4)C3)nn2)cc1 ZINC000035398070 569035019 /nfs/dbraw/zinc/03/50/19/569035019.db2.gz IGQRCBHUIIBLGO-QFIPXVFZSA-N 0 0 404.558 4.675 50 0 HJAARN Cc1cccc(-c2ccc(N3CCC[C@H](C(=O)Nc4cc(C)cc(C)c4)C3)nn2)c1 ZINC000035398236 569035085 /nfs/dbraw/zinc/03/50/85/569035085.db2.gz BVEJGXHMSMHZHM-NRFANRHFSA-N 0 0 400.526 4.924 50 0 HJAARN COc1ccc(NC(=O)C2CCN(c3ccc(-c4ccccc4)nn3)CC2)cc1Cl ZINC000035398351 569035131 /nfs/dbraw/zinc/03/51/31/569035131.db2.gz XCMLJORANMRPLY-UHFFFAOYSA-N 0 0 422.916 4.661 50 0 HJAARN Cc1ccc([C@H](C)NC(=O)C2CCN(c3ccc(-c4cccc(F)c4)nn3)CC2)cc1 ZINC000035398636 569035221 /nfs/dbraw/zinc/03/52/21/569035221.db2.gz JOZPGLFWEBNLKC-SFHVURJKSA-N 0 0 418.516 4.685 50 0 HJAARN Cc1nn(CCNC(=O)c2c(C)onc2-c2ccccc2Cl)c(C)c1-c1ccco1 ZINC000575614801 569036011 /nfs/dbraw/zinc/03/60/11/569036011.db2.gz INGGTJANPHTGDG-UHFFFAOYSA-N 0 0 424.888 4.807 50 0 HJAARN Cc1nn(CCNC(=O)Cc2cccc(C(F)(F)F)c2)c(C)c1-c1ccsc1 ZINC000575615255 569036133 /nfs/dbraw/zinc/03/61/33/569036133.db2.gz NFAZWKUALFYMAH-UHFFFAOYSA-N 0 0 407.461 4.606 50 0 HJAARN O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000035414103 569036143 /nfs/dbraw/zinc/03/61/43/569036143.db2.gz SFYQCAPQRZATRN-VWLOTQADSA-N 0 0 423.516 4.550 50 0 HJAARN C[C@H](NC(=O)c1ccccc1)c1nc(-c2ccc3c(c2)ncn3C2CCCC2)no1 ZINC000035453721 569037774 /nfs/dbraw/zinc/03/77/74/569037774.db2.gz LCCJCKJZLSHUFJ-HNNXBMFYSA-N 0 0 401.470 4.692 50 0 HJAARN O=C(c1ccc(S(=O)(=O)c2ccccc2)s1)N1CC=C(c2ccccc2)CC1 ZINC000035460805 569038216 /nfs/dbraw/zinc/03/82/16/569038216.db2.gz JUSSTROSCZFYTN-UHFFFAOYSA-N 0 0 409.532 4.510 50 0 HJAARN CCc1nnc(NC(=O)c2sc(COc3ccc(Cl)c(C)c3)nc2C)s1 ZINC000035476300 569038507 /nfs/dbraw/zinc/03/85/07/569038507.db2.gz WUTZIJIJXNZXGX-UHFFFAOYSA-N 0 0 408.936 4.659 50 0 HJAARN CCCNC(=O)Nc1cccc(-c2noc(-c3ccc(Br)cc3)n2)c1 ZINC000035481891 569039510 /nfs/dbraw/zinc/03/95/10/569039510.db2.gz JACYIXFSNFJERN-UHFFFAOYSA-N 0 0 401.264 4.698 50 0 HJAARN CCOc1ccccc1Nc1nnc(SCC(=O)Nc2ccccc2F)s1 ZINC000006319384 569040394 /nfs/dbraw/zinc/04/03/94/569040394.db2.gz KMZDIZALUKSPSW-UHFFFAOYSA-N 0 0 404.492 4.550 50 0 HJAARN Cc1ccc([C@@H](C)NC(=O)C2CCN(c3ccnc(-c4ccccc4)n3)CC2)cc1 ZINC000035502411 569040400 /nfs/dbraw/zinc/04/04/00/569040400.db2.gz YWYPXGUBKJWSSG-LJQANCHMSA-N 0 0 400.526 4.546 50 0 HJAARN CCOC(=O)c1c(C)[nH]c(CCC(=O)Nc2cc(-c3cccc(Cl)c3)no2)c1C ZINC000035509431 569041073 /nfs/dbraw/zinc/04/10/73/569041073.db2.gz UWSCRJHRIWEOHG-UHFFFAOYSA-N 0 0 415.877 4.688 50 0 HJAARN Cc1nc(-c2ccccc2)sc1CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000090592608 569041500 /nfs/dbraw/zinc/04/15/00/569041500.db2.gz GTUCXCGQOJNTIP-UHFFFAOYSA-N 0 0 412.458 4.616 50 0 HJAARN O=C(NCc1ccc(F)cc1)c1nnc(/C(Cl)=C/c2ccc(Cl)cc2)s1 ZINC000012972584 569041733 /nfs/dbraw/zinc/04/17/33/569041733.db2.gz XSFMXDDLEVRMQT-DHDCSXOGSA-N 0 0 408.285 4.998 50 0 HJAARN COc1ccc(C2=Nc3cc(Br)ccc3N=C(c3ccncc3)N2)cc1 ZINC000006743676 569041738 /nfs/dbraw/zinc/04/17/38/569041738.db2.gz VBGQVULPHOJAEJ-UHFFFAOYSA-N 0 0 407.271 4.803 50 0 HJAARN O=C(Nc1ccc(F)cc1)N1CCCN(c2nc3cc(F)ccc3n3cccc23)CC1 ZINC000035510377 569042288 /nfs/dbraw/zinc/04/22/88/569042288.db2.gz GEVQKCGOUIFWMN-UHFFFAOYSA-N 0 0 421.451 4.510 50 0 HJAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(CSCc2ccco2)CC1 ZINC000090608434 569042301 /nfs/dbraw/zinc/04/23/01/569042301.db2.gz VFCPLKWBWKMAKM-UHFFFAOYSA-N 0 0 419.490 4.633 50 0 HJAARN COc1ccc(Br)c(C(=O)N(CCc2cccs2)Cc2ccoc2)c1 ZINC000090612369 569042820 /nfs/dbraw/zinc/04/28/20/569042820.db2.gz DGMHZRGWIBEQRD-UHFFFAOYSA-N 0 0 420.328 4.997 50 0 HJAARN O=C(Nc1ccc(F)c(F)c1)c1nc2c3ccccc3oc2c(N2CCCCC2)n1 ZINC000035513896 569043282 /nfs/dbraw/zinc/04/32/82/569043282.db2.gz GZLSVBIFSHTYMF-UHFFFAOYSA-N 0 0 408.408 4.897 50 0 HJAARN O=C(CN1CCc2ccccc2C1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000035515116 569043354 /nfs/dbraw/zinc/04/33/54/569043354.db2.gz WVFCHOPPDJONJW-QFIPXVFZSA-N 0 0 419.912 4.669 50 0 HJAARN Cc1ccc(-c2noc([C@H]3CCCN3S(=O)(=O)c3cccc(Cl)c3C)n2)cc1 ZINC000035527826 569043971 /nfs/dbraw/zinc/04/39/71/569043971.db2.gz DBLSCARBHUNVGN-QGZVFWFLSA-N 0 0 417.918 4.533 50 0 HJAARN CCCCn1c2nnc(SCc3ccc(Cl)cc3)n2c2ccsc2c1=O ZINC000035529083 569044117 /nfs/dbraw/zinc/04/41/17/569044117.db2.gz WSIWNMJBBQNZEH-UHFFFAOYSA-N 0 0 404.948 4.852 50 0 HJAARN CCCN(CCC)c1nc2ncnc(SCC(=O)Nc3cccc(F)c3)c2s1 ZINC000035533962 569044489 /nfs/dbraw/zinc/04/44/89/569044489.db2.gz MOQUVUFXHROKLY-UHFFFAOYSA-N 0 0 419.551 4.583 50 0 HJAARN O=C(N[C@H](C(=O)N1CCCc2ccccc21)c1ccccc1)c1cc2ccccc2[nH]1 ZINC000035562313 569045120 /nfs/dbraw/zinc/04/51/20/569045120.db2.gz TWWNDDUBNOKWCR-DEOSSOPVSA-N 0 0 409.489 4.618 50 0 HJAARN CCn1cc([C@H](C)NC(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc32)c(C)n1 ZINC000006395863 569046653 /nfs/dbraw/zinc/04/66/53/569046653.db2.gz SELZZUYOZXLBMV-AWEZNQCLSA-N 0 0 419.916 4.966 50 0 HJAARN COc1ccc(NC2(c3nnnn3-c3ccc(Cl)cc3)CCCCC2)cc1OC ZINC000035622777 569046687 /nfs/dbraw/zinc/04/66/87/569046687.db2.gz ROCIXUAOVQDWPT-UHFFFAOYSA-N 0 0 413.909 4.604 50 0 HJAARN CCCn1c(SCc2csc(-c3ccc4c(c3)OCO4)n2)nnc1C1CC1 ZINC000006400358 569046701 /nfs/dbraw/zinc/04/67/01/569046701.db2.gz CYJDAENQGOSYMQ-UHFFFAOYSA-N 0 0 400.529 4.710 50 0 HJAARN Cc1c(C)c2cc(Cl)c(OC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)cc2oc1=O ZINC000006417458 569046992 /nfs/dbraw/zinc/04/69/92/569046992.db2.gz LYLMAFYSXKLKGU-QGZVFWFLSA-N 0 0 423.893 4.518 50 0 HJAARN C[C@H](c1nc(C(C)(C)C)no1)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012987507 569047509 /nfs/dbraw/zinc/04/75/09/569047509.db2.gz OEDFXVSYRVARTM-SNVBAGLBSA-N 0 0 418.847 4.671 50 0 HJAARN O=C(CSCc1coc(-c2ccc(Cl)cc2)n1)Nc1ccc2c(c1)OCO2 ZINC000012984770 569047687 /nfs/dbraw/zinc/04/76/87/569047687.db2.gz VMVAVENQYKBFHC-UHFFFAOYSA-N 0 0 402.859 4.596 50 0 HJAARN O=C(/C=C/c1ccccc1OC(F)F)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000036652300 569048038 /nfs/dbraw/zinc/04/80/38/569048038.db2.gz XZLNDNKLTDYWAK-CKDFRHGISA-N 0 0 415.436 4.826 50 0 HJAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000012999404 569049114 /nfs/dbraw/zinc/04/91/14/569049114.db2.gz PJWMRABLYRWCKP-AWEZNQCLSA-N 0 0 400.935 4.837 50 0 HJAARN COc1ccc(-c2cnn3c2NC(=O)C[C@H]3C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000035684716 569049651 /nfs/dbraw/zinc/04/96/51/569049651.db2.gz UKJNRZRUKCPECT-KRWDZBQOSA-N 0 0 414.824 4.523 50 0 HJAARN COc1cc2c(cc1NC(=O)[C@H]1CCCN(C(=O)c3ccoc3)C1)oc1ccccc12 ZINC000013006433 569049962 /nfs/dbraw/zinc/04/99/62/569049962.db2.gz TUBFGAAXCFSMLW-HNNXBMFYSA-N 0 0 418.449 4.679 50 0 HJAARN Cc1ccc(-c2csc3ncnc(OCC(=O)Nc4cc(F)ccc4F)c23)cc1 ZINC000006438749 569050753 /nfs/dbraw/zinc/05/07/53/569050753.db2.gz JRFLZCWBBYSONV-UHFFFAOYSA-N 0 0 411.433 4.962 50 0 HJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2SCC(=O)N2C[C@@H]2CCCO2)cc1 ZINC000013013745 569050951 /nfs/dbraw/zinc/05/09/51/569050951.db2.gz OJFNMYQBRXBWEC-GBXCKJPGSA-N 0 0 419.550 4.601 50 0 HJAARN CC(C)[C@H](NC(=O)CCn1ncc(=O)c2ccccc21)c1ccc(C(C)(C)C)cc1 ZINC000013019892 569051111 /nfs/dbraw/zinc/05/11/11/569051111.db2.gz RBOAWBFERRRNQZ-DEOSSOPVSA-N 0 0 405.542 4.598 50 0 HJAARN O=C(CCNC(=O)c1ccccc1Cl)N(CCc1ccccc1)Cc1ccccc1 ZINC000013023824 569051268 /nfs/dbraw/zinc/05/12/68/569051268.db2.gz RQOVXZLHUWTRIU-UHFFFAOYSA-N 0 0 420.940 4.731 50 0 HJAARN CCCCCNC(=O)[C@@H]1CS[C@@H](c2ccc(F)cc2)N1C(=O)c1ccc(C)cc1 ZINC000035703292 569052697 /nfs/dbraw/zinc/05/26/97/569052697.db2.gz YFMRAYTZGLXTHN-REWPJTCUSA-N 0 0 414.546 4.697 50 0 HJAARN COc1ccc(N2C(=O)C(NC3CCCCCC3)=C(Sc3ccccc3)C2=O)cc1 ZINC000001786234 569052971 /nfs/dbraw/zinc/05/29/71/569052971.db2.gz LCQKBUHREJGSQX-UHFFFAOYSA-N 0 0 422.550 4.885 50 0 HJAARN C[C@H](Oc1ccc(Br)cc1Br)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000239338991 569054231 /nfs/dbraw/zinc/05/42/31/569054231.db2.gz LNYSSRAAGKDGSC-UTUOFQBUSA-N 0 0 419.157 4.768 50 0 HJAARN Cc1ccc(C)c(NC(=O)CN2CC[C@]3(O)CCCC[C@@H]3[C@H]2c2ccc(F)cc2)c1 ZINC000245226213 569055166 /nfs/dbraw/zinc/05/51/66/569055166.db2.gz KTVXTLHHFMATLT-NQHRYMMQSA-N 0 0 410.533 4.749 50 0 HJAARN COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OC)c(OC)c2)c1 ZINC000245255439 569055483 /nfs/dbraw/zinc/05/54/83/569055483.db2.gz ICSNMCWEKQKFEQ-OFVILXPXSA-N 0 0 416.477 4.955 50 0 HJAARN CC(C)CN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)C1CCCC1 ZINC000035765048 569058005 /nfs/dbraw/zinc/05/80/05/569058005.db2.gz QPTGEJOAORZNBX-UHFFFAOYSA-N 0 0 410.558 4.526 50 0 HJAARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(C(=O)Cc2ccccc2)C(C)C)o1 ZINC000035765826 569058033 /nfs/dbraw/zinc/05/80/33/569058033.db2.gz ZZADHFYHJXSYNH-UHFFFAOYSA-N 0 0 418.537 4.597 50 0 HJAARN CCCCNC(=O)N(CC(=O)N(Cc1sccc1C)Cc1ccccc1)C1CC1 ZINC000035775517 569058683 /nfs/dbraw/zinc/05/86/83/569058683.db2.gz FLAIJDFOIGFOAI-UHFFFAOYSA-N 0 0 413.587 4.559 50 0 HJAARN CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)nc1C ZINC000001925875 569059714 /nfs/dbraw/zinc/05/97/14/569059714.db2.gz AEJKEEBSBCFFOY-SDNWHVSQSA-N 0 0 422.506 4.859 50 0 HJAARN CC(C)c1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000001962601 569059986 /nfs/dbraw/zinc/05/99/86/569059986.db2.gz MGMFJEBRQJQHEP-UHFFFAOYSA-N 0 0 401.462 4.837 50 0 HJAARN COc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)c2ccccc2)cc1OC ZINC000001994041 569060110 /nfs/dbraw/zinc/06/01/10/569060110.db2.gz RINUWYKRBVQYPA-UHFFFAOYSA-N 0 0 416.429 4.739 50 0 HJAARN COc1cc(COc2cc3oc(=O)c4c(c3cc2Cl)CCC4)cc(OC)c1OC ZINC000000950433 569060248 /nfs/dbraw/zinc/06/02/48/569060248.db2.gz OLMXZAPSAZRKGU-UHFFFAOYSA-N 0 0 416.857 4.540 50 0 biogenic HJAARN CC(C)OC(=O)[C@@H](C)Oc1ccc2c(c1)occ(Oc1ccccc1Cl)c2=O ZINC000000950719 569060254 /nfs/dbraw/zinc/06/02/54/569060254.db2.gz OTZPGOPXAWXEIK-CYBMUJFWSA-N 0 0 402.830 4.958 50 0 biogenic HJAARN CCOc1cc(C(=O)Nc2cccc(Br)c2)cc(OCC)c1OCC ZINC000001192076 569060337 /nfs/dbraw/zinc/06/03/37/569060337.db2.gz CIUBBWDQQBNGJW-UHFFFAOYSA-N 0 0 408.292 4.898 50 0 HJAARN COc1ccc(CN2CCc3cc(OC)c(OC)cc3C2)cc1OCc1ccccc1 ZINC000004987549 569060864 /nfs/dbraw/zinc/06/08/64/569060864.db2.gz CRSRDVYYIHVUEX-UHFFFAOYSA-N 0 0 419.521 4.850 50 0 biogenic HJAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(C(=O)C2CCCCC2)C2CC2)o1 ZINC000035809334 569060984 /nfs/dbraw/zinc/06/09/84/569060984.db2.gz ABVHGUVKKOUHDG-UHFFFAOYSA-N 0 0 422.569 4.731 50 0 HJAARN CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)/C=C/c1ccccc1 ZINC000012875986 569061480 /nfs/dbraw/zinc/06/14/80/569061480.db2.gz IAPQJTWDFSUNMC-DNYIEUBBSA-N 0 0 405.538 4.993 50 0 HJAARN Cc1cc(C)n(Cc2cccc(C)c2)c1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000035836916 569061989 /nfs/dbraw/zinc/06/19/89/569061989.db2.gz YDBKGIGSXMHFDK-UHFFFAOYSA-N 0 0 405.517 4.563 50 0 HJAARN Cc1cccc(-c2noc([C@H](Cc3ccccc3)NC(=O)c3cccc(F)c3)n2)c1 ZINC000035845251 569062623 /nfs/dbraw/zinc/06/26/23/569062623.db2.gz DKGJGYOAZGLXGU-NRFANRHFSA-N 0 0 401.441 4.898 50 0 HJAARN CC(C)(C)c1ccc(-c2nnc(SCC(=O)NC3CC3)n2-c2ccccc2)cc1 ZINC000006515757 569062644 /nfs/dbraw/zinc/06/26/44/569062644.db2.gz ZAZZIFZQSIGLQL-UHFFFAOYSA-N 0 0 406.555 4.603 50 0 HJAARN CCOC(=O)[C@@H](C)Sc1nnc(-c2cc(OC)cc(OC)c2)n1C1CCCCC1 ZINC000035847545 569062659 /nfs/dbraw/zinc/06/26/59/569062659.db2.gz FZEOSMRYAGNFRK-CQSZACIVSA-N 0 0 419.547 4.511 50 0 HJAARN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccccc3C)C2)cc1F ZINC000064452536 569062955 /nfs/dbraw/zinc/06/29/55/569062955.db2.gz IYDVDWLNTRXBCD-GOSISDBHSA-N 0 0 420.488 4.880 50 0 HJAARN Cc1sc2ncnc(N3CCC[C@@H](C)C3)c2c1C(=O)Nc1ccc(F)cc1F ZINC000064459717 569062979 /nfs/dbraw/zinc/06/29/79/569062979.db2.gz NSXTUOBIAJMCDC-LLVKDONJSA-N 0 0 402.470 4.767 50 0 HJAARN COc1ccc(NC(=O)c2c(C)sc3ncnc(N4CCC[C@@H](C)C4)c32)c(C)c1 ZINC000064459762 569063043 /nfs/dbraw/zinc/06/30/43/569063043.db2.gz YIUZBFWTTCJZRQ-CYBMUJFWSA-N 0 0 410.543 4.805 50 0 HJAARN Cc1c(Cl)c(C(F)(F)F)nn1CCC(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000006526853 569063092 /nfs/dbraw/zinc/06/30/92/569063092.db2.gz QYYWBQAWURXVSO-UHFFFAOYSA-N 0 0 403.876 4.586 50 0 HJAARN Cc1cc(C(F)(F)F)n2nc(-c3nnc(C45CC6CC(CC(C6)C4)C5)o3)cc2n1 ZINC000006527926 569063203 /nfs/dbraw/zinc/06/32/03/569063203.db2.gz CMXUAKAOBMRUQJ-UHFFFAOYSA-N 0 0 403.408 4.574 50 0 HJAARN CC(C)c1nc2sc3c(c2c(N2CCN(C(=O)C(C)(C)C)CC2)n1)CC[C@H](C)C3 ZINC000035865732 569063319 /nfs/dbraw/zinc/06/33/19/569063319.db2.gz WGLQEVCHDLKJOQ-HNNXBMFYSA-N 0 0 414.619 4.634 50 0 HJAARN O=C(Nc1ccccc1Cl)N1CCCN(c2nc3ccccc3n3cccc23)CC1 ZINC000064473182 569063683 /nfs/dbraw/zinc/06/36/83/569063683.db2.gz NTOVCCTUDIBPKN-UHFFFAOYSA-N 0 0 419.916 4.885 50 0 HJAARN O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)Nc1ccc2c(c1)CCC2 ZINC000006531223 569064109 /nfs/dbraw/zinc/06/41/09/569064109.db2.gz ZYQLXSVXABGCHQ-UHFFFAOYSA-N 0 0 419.550 4.731 50 0 HJAARN CN(C)c1ccc(Nc2cc(-c3ccccc3)nc3nc(-c4cccnc4)nn32)cc1 ZINC000064482335 569064362 /nfs/dbraw/zinc/06/43/62/569064362.db2.gz XLJSDTHCQYYPFV-UHFFFAOYSA-N 0 0 407.481 4.663 50 0 HJAARN CCOc1ccc(NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)cc1 ZINC000006538661 569064469 /nfs/dbraw/zinc/06/44/69/569064469.db2.gz NNILNYYEALZKKQ-UHFFFAOYSA-N 0 0 403.554 4.793 50 0 HJAARN CC[C@H](C(=O)N1CCN(c2cc(C)nc(-c3cccc(C)c3)n2)CC1)c1ccccc1 ZINC000035889620 569064899 /nfs/dbraw/zinc/06/48/99/569064899.db2.gz YXWAAIBRMWOXDH-QHCPKHFHSA-N 0 0 414.553 4.603 50 0 HJAARN CCOC(=O)[C@@H]1CCCN(c2nc(C(C)C)nc3sc4c(c32)CC[C@@H](C)C4)C1 ZINC000035892801 569065093 /nfs/dbraw/zinc/06/50/93/569065093.db2.gz SIQKPEFOTFERHT-HUUCEWRRSA-N 0 0 401.576 4.719 50 0 HJAARN CCOc1ccc(OCCOC(=O)c2c3ccccc3nc3c2C[C@H](C)CC3)cc1 ZINC000006553030 569065513 /nfs/dbraw/zinc/06/55/13/569065513.db2.gz BVUTWBYNZQWFNK-QGZVFWFLSA-N 0 0 405.494 4.994 50 0 HJAARN O=C(CSc1nnc(Nc2ccccc2)s1)Nc1ccccc1OC(F)F ZINC000006559537 569065657 /nfs/dbraw/zinc/06/56/57/569065657.db2.gz SSACHMWYBJNGDE-UHFFFAOYSA-N 0 0 408.455 4.614 50 0 HJAARN COc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3cccc(F)c3)c2)cc1 ZINC000035927297 569066548 /nfs/dbraw/zinc/06/65/48/569066548.db2.gz DCYFSSSSTBZBGB-HSZRJFAPSA-N 0 0 422.481 4.865 50 0 HJAARN COc1cccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3cccc(F)c3)c2)c1 ZINC000035927244 569066584 /nfs/dbraw/zinc/06/65/84/569066584.db2.gz CBEZQCAEDBXOGD-HSZRJFAPSA-N 0 0 422.481 4.865 50 0 HJAARN C[C@@H]1CSC(N(C(=O)c2cncc(Br)c2)c2ccc(Cl)cc2)=N1 ZINC000006578564 569066947 /nfs/dbraw/zinc/06/69/47/569066947.db2.gz LLWWETXVFYZCIT-SNVBAGLBSA-N 0 0 410.724 4.636 50 0 HJAARN COc1ccccc1Oc1cc(-c2cccc(C(=O)N3CCC(C)CC3)c2)ncn1 ZINC000064578435 569068334 /nfs/dbraw/zinc/06/83/34/569068334.db2.gz RDWXUXDFTMVDJR-UHFFFAOYSA-N 0 0 403.482 4.817 50 0 HJAARN O=C(CSc1nnc(Nc2ccccc2F)s1)NC12CC3CC(CC(C3)C1)C2 ZINC000006597328 569069280 /nfs/dbraw/zinc/06/92/80/569069280.db2.gz FCUXIJMGFQPQFJ-UHFFFAOYSA-N 0 0 418.563 4.598 50 0 HJAARN CC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000035970793 569069383 /nfs/dbraw/zinc/06/93/83/569069383.db2.gz ACNHCNCQGVCCOZ-JOCHJYFZSA-N 0 0 405.498 4.501 50 0 HJAARN Cc1ccc(-n2ccn3c(SCc4ccc(F)cc4Cl)nnc3c2=O)cc1C ZINC000064593562 569069576 /nfs/dbraw/zinc/06/95/76/569069576.db2.gz MENQMYAMEVJHQX-UHFFFAOYSA-N 0 0 414.893 4.582 50 0 HJAARN CC[C@@H]1CCCN(C(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)CC1 ZINC000426428980 569072966 /nfs/dbraw/zinc/07/29/66/569072966.db2.gz OEPPTNQWOKVXAG-QGZVFWFLSA-N 0 0 401.576 4.564 50 0 HJAARN CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)OCC(=O)c1ccc[nH]1 ZINC000006610077 569074107 /nfs/dbraw/zinc/07/41/07/569074107.db2.gz OYEBWQQGHLDDIA-MRXNPFEDSA-N 0 0 402.800 4.550 50 0 HJAARN CCN(Cc1ccccc1)C(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2 ZINC000426726908 569074038 /nfs/dbraw/zinc/07/40/38/569074038.db2.gz PTTMYEVHRPHSRA-UHFFFAOYSA-N 0 0 409.555 4.574 50 0 HJAARN CCCCN(CCc1nc(-c2ccc(N(C)C)cc2)no1)C(=O)c1ccc(C)cc1 ZINC000036000514 569074978 /nfs/dbraw/zinc/07/49/78/569074978.db2.gz PYJBYWFXKJDJSS-UHFFFAOYSA-N 0 0 406.530 4.596 50 0 HJAARN COc1ccc(-c2cc(CN(Cc3ccc(F)cc3)C(=O)c3ccco3)no2)cc1 ZINC000036012089 569075747 /nfs/dbraw/zinc/07/57/47/569075747.db2.gz MIOQFOWMKDWRNA-UHFFFAOYSA-N 0 0 406.413 4.925 50 0 HJAARN CC[C@H](C)N(Cc1cc(Cl)ccc1OS(=O)(=O)CC)C(=O)c1cccs1 ZINC000036009398 569076311 /nfs/dbraw/zinc/07/63/11/569076311.db2.gz KJCZFICFXRVBDA-ZDUSSCGKSA-N 0 0 415.964 4.571 50 0 HJAARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2cc(F)ccc2F)cc1 ZINC000064656765 569076931 /nfs/dbraw/zinc/07/69/31/569076931.db2.gz NBGUMKIQHNYDFE-OAHLLOKOSA-N 0 0 419.474 4.642 50 0 HJAARN Cc1nc(-c2cc(S(=O)(=O)Nc3ccc(Cl)cc3F)c(C)n2C)sc1C ZINC000064668342 569078709 /nfs/dbraw/zinc/07/87/09/569078709.db2.gz GOJOLHKQBSFHDY-UHFFFAOYSA-N 0 0 413.927 4.667 50 0 HJAARN COc1ccccc1CNS(=O)(=O)c1cc(-c2csc(C)n2)ccc1C(C)C ZINC000064669979 569079067 /nfs/dbraw/zinc/07/90/67/569079067.db2.gz FQSVFBUXZFVYBZ-UHFFFAOYSA-N 0 0 416.568 4.729 50 0 HJAARN Cc1ccc(CNC(=O)C[C@H]2COc3cc(C)ccc3N2Cc2ccccc2)cc1 ZINC000064663617 569079704 /nfs/dbraw/zinc/07/97/04/569079704.db2.gz OIVFEQSDFDLOFB-QHCPKHFHSA-N 0 0 400.522 4.778 50 0 HJAARN Cc1ccc(-c2csc(-c3nnn(-c4cccc(C(F)(F)F)c4)c3N)n2)cc1 ZINC000064664461 569079863 /nfs/dbraw/zinc/07/98/63/569079863.db2.gz YRJJDGLJLPPHRA-UHFFFAOYSA-N 0 0 401.417 4.967 50 0 HJAARN O=C(Nc1ccccc1N1CCCC1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000006647763 569080728 /nfs/dbraw/zinc/08/07/28/569080728.db2.gz OHNKVVKWMTYLEQ-DEOSSOPVSA-N 0 0 412.489 4.993 50 0 HJAARN Cc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 ZINC000006658432 569083278 /nfs/dbraw/zinc/08/32/78/569083278.db2.gz YJLPANNJOBKUPQ-OAQYLSRUSA-N 0 0 416.864 4.895 50 0 HJAARN CC(C)NC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2cccc(Cl)c2)n1 ZINC000036064278 569085443 /nfs/dbraw/zinc/08/54/43/569085443.db2.gz VKUJUYHOOSAZGQ-UHFFFAOYSA-N 0 0 415.896 4.808 50 0 HJAARN COc1ccc(-c2noc([C@H]3CCCN3C(=O)Nc3cccc(SC)c3)n2)cc1 ZINC000064747563 569088852 /nfs/dbraw/zinc/08/88/52/569088852.db2.gz JLDWMDDLFOUKOH-GOSISDBHSA-N 0 0 410.499 4.836 50 0 HJAARN O=C(c1cccc(F)c1)N(Cc1nccn1Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000006689525 569089406 /nfs/dbraw/zinc/08/94/06/569089406.db2.gz QFRQGEGAUIDUEL-UHFFFAOYSA-N 0 0 417.406 4.894 50 0 HJAARN CC(C)NC(=O)N(Cc1ccco1)Cc1nccn1Cc1ccc(C(F)(F)F)cc1 ZINC000006689737 569089416 /nfs/dbraw/zinc/08/94/16/569089416.db2.gz TUOMOGVTTGZLFS-UHFFFAOYSA-N 0 0 420.435 4.663 50 0 HJAARN CN(Cc1ccccc1)C(=O)c1ccc2c(c1)Sc1ncccc1C(=O)N2C1CC1 ZINC000064759558 569091038 /nfs/dbraw/zinc/09/10/38/569091038.db2.gz RJJSWMISQMTIMN-UHFFFAOYSA-N 0 0 415.518 4.628 50 0 HJAARN Cc1ccc(C2=NO[C@@H](CN(Cc3ccc(C(F)(F)F)cc3)C(=O)C3CC3)C2)cc1 ZINC000006694999 569091475 /nfs/dbraw/zinc/09/14/75/569091475.db2.gz WDTRRHISTYZHTH-HXUWFJFHSA-N 0 0 416.443 4.946 50 0 HJAARN CN(C)c1ccc(NC(=O)C2CCC2)cc1CN(Cc1ccco1)C(=O)C(C)(C)C ZINC000006694891 569091515 /nfs/dbraw/zinc/09/15/15/569091515.db2.gz XCIXNPVLWZEMOY-UHFFFAOYSA-N 0 0 411.546 4.659 50 0 HJAARN CCN(C)C(=O)c1ccc(CSc2nc(C(C)C)cc(N(CC)CC)n2)cc1 ZINC000006695749 569091551 /nfs/dbraw/zinc/09/15/51/569091551.db2.gz IIBSNIBUROBTJH-UHFFFAOYSA-N 0 0 400.592 4.830 50 0 HJAARN CC(C)(C)c1cc(N2CCCC2)nc(SCc2cccc(C(=O)NCC3CC3)c2)n1 ZINC000006695514 569091607 /nfs/dbraw/zinc/09/16/07/569091607.db2.gz ACSQEWRGFCXQPN-UHFFFAOYSA-N 0 0 424.614 4.806 50 0 HJAARN CCNC(=O)N(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)C(C)C ZINC000006696074 569091825 /nfs/dbraw/zinc/09/18/25/569091825.db2.gz JHMKZVRIJVJSSJ-UHFFFAOYSA-N 0 0 416.953 4.598 50 0 HJAARN COc1ccc(OCc2nc(CN(CC(C)C)C(=O)Cc3ccccc3)cs2)cc1 ZINC000036106196 569092983 /nfs/dbraw/zinc/09/29/83/569092983.db2.gz FXVLWBZSVACTRO-UHFFFAOYSA-N 0 0 424.566 4.958 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccccc1)CC2=O ZINC000064775553 569093555 /nfs/dbraw/zinc/09/35/55/569093555.db2.gz PYWFIIUUKUNTTC-HNNXBMFYSA-N 0 0 406.869 4.502 50 0 HJAARN Cc1ccccc1CC(=O)NCc1ccc2c(c1)N(C(=O)c1ccc(Cl)cc1)CC2 ZINC000064775795 569093637 /nfs/dbraw/zinc/09/36/37/569093637.db2.gz RNEHWRVQOXKSTB-UHFFFAOYSA-N 0 0 418.924 4.710 50 0 HJAARN CC(=O)c1cc2c(cc1NC(=O)C=Cc1ccc(Cl)c(C(F)(F)F)c1)OCO2 ZINC000036112405 569093667 /nfs/dbraw/zinc/09/36/67/569093667.db2.gz SUQDFMJPDMJCJR-HWKANZROSA-N 0 0 411.763 4.942 50 0 HJAARN COCCCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)NC(C)(C)C ZINC000036115204 569093944 /nfs/dbraw/zinc/09/39/44/569093944.db2.gz ONJBUGOSQCBPQD-UHFFFAOYSA-N 0 0 419.591 4.686 50 0 HJAARN C[C@H](NC(=O)c1cnc2scc(-c3ccccc3Cl)n2c1=O)c1ccccc1 ZINC000064787980 569094349 /nfs/dbraw/zinc/09/43/49/569094349.db2.gz MNDUMNZCMLRREY-ZDUSSCGKSA-N 0 0 409.898 4.567 50 0 HJAARN Cc1cccc2cc(-c3noc(CCC(=O)Nc4ccccc4C(C)C)n3)c(=O)[nH]c12 ZINC000064789933 569094736 /nfs/dbraw/zinc/09/47/36/569094736.db2.gz HJIQUYPZACRHED-UHFFFAOYSA-N 0 0 416.481 4.581 50 0 HJAARN O=C(Nc1ccccc1[C@H]1SCC(=O)N1c1ccccc1F)c1ccc(F)cc1 ZINC000006706136 569095211 /nfs/dbraw/zinc/09/52/11/569095211.db2.gz AMABPCADJKZAAU-JOCHJYFZSA-N 0 0 410.445 4.996 50 0 HJAARN CCC(=O)N(Cc1ccc(F)cc1)Cc1cc(NC(=O)CC(C)C)ccc1N(C)C ZINC000006708031 569095408 /nfs/dbraw/zinc/09/54/08/569095408.db2.gz IWKSMHVKWFFYDP-UHFFFAOYSA-N 0 0 413.537 4.815 50 0 HJAARN CCC(CC)C(=O)N(Cc1ccco1)Cc1cc(NC(=O)C(C)C)ccc1N(C)C ZINC000006708311 569095500 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CCc1cc(C(=O)NCCc2ccccc2)c2c(C3CC3)nn(Cc3ccccc3)c2n1 ZINC000036621730 569212318 /nfs/dbraw/zinc/21/23/18/569212318.db2.gz CSKAEYFBECXINF-UHFFFAOYSA-N 0 0 424.548 4.892 50 0 HJAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1cccs1)c1cn(CCC(C)C)c3cccc(c13)N2 ZINC000524732672 569213216 /nfs/dbraw/zinc/21/32/16/569213216.db2.gz HRWZTZSQVFOMPE-JOCHJYFZSA-N 0 0 419.550 4.949 50 0 HJAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccsc1)c1cn(CCC(C)C)c3cccc(c13)N2 ZINC000524734642 569213652 /nfs/dbraw/zinc/21/36/52/569213652.db2.gz XUKGJMFNLGPZPU-NRFANRHFSA-N 0 0 419.550 4.949 50 0 HJAARN O=C(Nc1ccc(N2CCN(Cc3ccc(F)cc3)C2=O)nc1)c1ccc(Cl)cc1 ZINC000065272538 569215766 /nfs/dbraw/zinc/21/57/66/569215766.db2.gz KRZMPKUFQMFYNQ-UHFFFAOYSA-N 0 0 424.863 4.569 50 0 HJAARN COc1cccc([C@H](C)NC(=O)c2cc3nc(N(C)C)n(-c4ccccc4)c3s2)c1 ZINC000065306711 569220680 /nfs/dbraw/zinc/22/06/80/569220680.db2.gz OXGKGXJUCGZOIV-HNNXBMFYSA-N 0 0 420.538 4.653 50 0 HJAARN Cc1cc(-n2c(C)cc([C@H]3Nc4ccccc4C(=O)N3Cc3ccco3)c2C)no1 ZINC000007113034 569221628 /nfs/dbraw/zinc/22/16/28/569221628.db2.gz IDBVWGDIGSIBEC-QFIPXVFZSA-N 0 0 402.454 4.750 50 0 HJAARN CCN1c2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2-c2ccccc2S1(=O)=O ZINC000065315052 569223459 /nfs/dbraw/zinc/22/34/59/569223459.db2.gz SOHJMPKAJXXQLG-UHFFFAOYSA-N 0 0 406.507 4.751 50 0 HJAARN Cc1cccc(-c2noc([C@@H]3CCCN3S(=O)(=O)c3ccc(C)c(Cl)c3)n2)c1 ZINC000065320830 569223948 /nfs/dbraw/zinc/22/39/48/569223948.db2.gz DTFMCFDFANCQLV-SFHVURJKSA-N 0 0 417.918 4.533 50 0 HJAARN Cc1nn(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(C)c1-c1ccccc1 ZINC000238826850 569225312 /nfs/dbraw/zinc/22/53/12/569225312.db2.gz DYOFULISHNKEJG-UHFFFAOYSA-N 0 0 411.933 4.794 50 0 HJAARN COc1ccccc1-c1noc(COC(=O)C2(c3ccc(Cl)cc3)CCCC2)n1 ZINC000007156388 569225880 /nfs/dbraw/zinc/22/58/80/569225880.db2.gz ICCYTQUDHIMHMP-UHFFFAOYSA-N 0 0 412.873 4.954 50 0 HJAARN CCCOc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2ccc(C)cc2)cc1OCC ZINC000065331567 569225896 /nfs/dbraw/zinc/22/58/96/569225896.db2.gz XROSCOUCDMPNGY-LJQANCHMSA-N 0 0 405.498 4.842 50 0 HJAARN COc1ccccc1NC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000007158639 569226006 /nfs/dbraw/zinc/22/60/06/569226006.db2.gz SDYUBSMTFRFRST-DEOSSOPVSA-N 0 0 418.493 4.892 50 0 HJAARN Cn1c(SCc2cn(-c3ccccc3)nc2-c2ccccc2)nnc1C(F)(F)F ZINC000007180681 569227530 /nfs/dbraw/zinc/22/75/30/569227530.db2.gz LOMLBHFHIBTMGT-UHFFFAOYSA-N 0 0 415.444 4.979 50 0 HJAARN COc1cc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)ccc1OC(F)F ZINC000036774028 569227870 /nfs/dbraw/zinc/22/78/70/569227870.db2.gz IVYAZQHMEUTJBJ-UHFFFAOYSA-N 0 0 419.424 4.610 50 0 HJAARN O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1ccc2c(c1)OCCCO2 ZINC000065475529 569231424 /nfs/dbraw/zinc/23/14/24/569231424.db2.gz QXHMBXKIWDWPKF-UHFFFAOYSA-N 0 0 409.486 4.508 50 0 HJAARN Cc1ccc(C)n1C1CCN(C(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)CC1 ZINC000065475789 569231482 /nfs/dbraw/zinc/23/14/82/569231482.db2.gz KCIZUSJPIHPKDZ-UHFFFAOYSA-N 0 0 415.843 4.572 50 0 HJAARN Cc1ccc(C)n1NC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc(C)cc2C)cc1 ZINC000007302011 569232825 /nfs/dbraw/zinc/23/28/25/569232825.db2.gz RFFNANPZLMIKCI-IBGZPJMESA-N 0 0 405.498 4.512 50 0 HJAARN Cc1ccc(-c2csc3ncn(CC(=O)N(C)[C@@H](C)c4ccccc4)c(=O)c23)cc1 ZINC000007375509 569234222 /nfs/dbraw/zinc/23/42/22/569234222.db2.gz WXABSPUBOFDQJY-KRWDZBQOSA-N 0 0 417.534 4.653 50 0 HJAARN Cc1[nH]c2c(cc(C)cc2CNC(=O)Cn2c3ccccc3nc2C(F)(F)F)c1C ZINC000065539180 569234541 /nfs/dbraw/zinc/23/45/41/569234541.db2.gz RLTIVQMJGDISHO-UHFFFAOYSA-N 0 0 414.431 4.778 50 0 HJAARN CCOC(=O)c1c(C)oc2nc(CSc3c(Cl)cccc3Cl)nc(N)c21 ZINC000007360516 569234988 /nfs/dbraw/zinc/23/49/88/569234988.db2.gz JXITTWSRNIYGOY-UHFFFAOYSA-N 0 0 412.298 4.889 50 0 HJAARN O=C(CN1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc(N2CCCC2)cc1 ZINC000007360551 569235160 /nfs/dbraw/zinc/23/51/60/569235160.db2.gz OUENHVVCMMFICM-GOSISDBHSA-N 0 0 420.582 4.715 50 0 HJAARN Cc1c(C(=O)NCc2ccc([C@@H](C)O)cc2)sc2nc(-c3ccco3)nc(C)c12 ZINC000065591576 569236880 /nfs/dbraw/zinc/23/68/80/569236880.db2.gz MRMQPCMTFIOCCT-CQSZACIVSA-N 0 0 407.495 4.551 50 0 HJAARN CCN(CC)C(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 ZINC000007408416 569237040 /nfs/dbraw/zinc/23/70/40/569237040.db2.gz MMBFHKAAEQOAPV-CYBMUJFWSA-N 0 0 409.313 4.881 50 0 HJAARN Cc1ccc(NC(=O)CSc2ccc(-c3ccc4c(c3)OCO4)nn2)cc1Cl ZINC000007446626 569239367 /nfs/dbraw/zinc/23/93/67/569239367.db2.gz QBTSZOOSFJXVGQ-UHFFFAOYSA-N 0 0 413.886 4.565 50 0 HJAARN O=C(Nc1cccc2cccnc21)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000526052270 569239769 /nfs/dbraw/zinc/23/97/69/569239769.db2.gz NTGBFLOEPTUEON-UHFFFAOYSA-N 0 0 412.854 4.566 50 0 HJAARN COc1ccc(-c2nnc([C@H](C)OC(=O)c3c4c(nc5ccccc53)CCC4)o2)cc1 ZINC000007477464 569240384 /nfs/dbraw/zinc/24/03/84/569240384.db2.gz WMJBBBREKFOVIK-AWEZNQCLSA-N 0 0 415.449 4.700 50 0 HJAARN O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)c1cccnc1SC(F)F ZINC000170605648 569244309 /nfs/dbraw/zinc/24/43/09/569244309.db2.gz ZHOSYHKOAMIMSF-UHFFFAOYSA-N 0 0 415.918 4.855 50 0 HJAARN O=C(Nc1c2c(nn1-c1ccccc1)CCC2)Nc1c2c(nn1-c1ccccc1)CCC2 ZINC000170605087 569244486 /nfs/dbraw/zinc/24/44/86/569244486.db2.gz GRPXETMDQOCQLP-UHFFFAOYSA-N 0 0 424.508 4.679 50 0 HJAARN COc1ccc(F)c(C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1OC ZINC000170606880 569244565 /nfs/dbraw/zinc/24/45/65/569244565.db2.gz FZSQLVCPOAIADY-HNNXBMFYSA-N 0 0 422.456 4.586 50 0 HJAARN CCNc1ccc(Cl)cc1C(=O)NCCCc1nnc(SC)n1C1CCCC1 ZINC000170611950 569245714 /nfs/dbraw/zinc/24/57/14/569245714.db2.gz AOGPTDKSTWRUJJ-UHFFFAOYSA-N 0 0 421.998 4.563 50 0 HJAARN Cc1ccccc1C(=O)N1CCN(c2ccc(Oc3ccccc3)cc2)C(=O)[C@H]1C ZINC000037275721 569245826 /nfs/dbraw/zinc/24/58/26/569245826.db2.gz UVBBIBWXUFQJHY-LJQANCHMSA-N 0 0 400.478 4.665 50 0 HJAARN Cc1nn(-c2ccc(F)cc2)c(Oc2cccc(F)c2)c1CCC(=O)N1CCCC1 ZINC000037278701 569246094 /nfs/dbraw/zinc/24/60/94/569246094.db2.gz ZMTVHFWFERYVIX-UHFFFAOYSA-N 0 0 411.452 4.806 50 0 HJAARN COc1cc2cc([C@@H]3CC(c4cccs4)=NN3C(C)=O)c(Cl)nc2c(OC)c1 ZINC000170612555 569246545 /nfs/dbraw/zinc/24/65/45/569246545.db2.gz DACWEENEDPPQQT-INIZCTEOSA-N 0 0 415.902 4.665 50 0 HJAARN CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc(-c2nccc(C)n2)cc1 ZINC000170627101 569250293 /nfs/dbraw/zinc/25/02/93/569250293.db2.gz RODHSVHQYVDXOY-UHFFFAOYSA-N 0 0 417.494 4.785 50 0 HJAARN O=C(CN(Cc1ccco1)C(=O)c1ccccc1F)Nc1ccccc1C(F)(F)F ZINC000009870710 569251151 /nfs/dbraw/zinc/25/11/51/569251151.db2.gz JGIMDYOIKCYKKN-UHFFFAOYSA-N 0 0 420.362 4.719 50 0 HJAARN O=C(CCCNC(=O)c1ccc(Cl)cc1)OCc1csc(-c2ccccc2)n1 ZINC000009910580 569251761 /nfs/dbraw/zinc/25/17/61/569251761.db2.gz MTMGKHMIXHYJOW-UHFFFAOYSA-N 0 0 414.914 4.717 50 0 HJAARN CCOC(=O)Cn1nc(C)c2c1NC(=O)C[C@H]2c1cccc(Oc2ccccc2)c1 ZINC000071283792 569251968 /nfs/dbraw/zinc/25/19/68/569251968.db2.gz WWDXSMGZXJABJX-IBGZPJMESA-N 0 0 405.454 4.671 50 0 HJAARN COc1ccccc1C(=O)N1c2ncnn2[C@@H](c2ccccc2)C[C@H]1c1ccc(C)cc1 ZINC000010059795 569253097 /nfs/dbraw/zinc/25/30/97/569253097.db2.gz GWXXUXBXSROFJF-XZOQPEGZSA-N 0 0 424.504 4.976 50 0 HJAARN COc1ccc(SCC(=O)Nc2nc3ccc4nc(C)sc4c3s2)cc1 ZINC000010219160 569253813 /nfs/dbraw/zinc/25/38/13/569253813.db2.gz IRLPATHJLIQGIN-UHFFFAOYSA-N 0 0 401.538 4.954 50 0 HJAARN COc1ccc(C(=O)N(C(=O)N2CCCCC2)c2cccc(Cl)c2)c(OC)c1 ZINC000010254586 569254293 /nfs/dbraw/zinc/25/42/93/569254293.db2.gz ULZAQBUIAZNNBX-UHFFFAOYSA-N 0 0 402.878 4.610 50 0 HJAARN O=C(c1ccc(Br)o1)N(C(=O)N1CCCCC1)c1ccc(Cl)cc1 ZINC000010254570 569254307 /nfs/dbraw/zinc/25/43/07/569254307.db2.gz GSPWBQLCVTYTRD-UHFFFAOYSA-N 0 0 411.683 4.948 50 0 HJAARN CSc1ccccc1C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 ZINC000010498845 569254669 /nfs/dbraw/zinc/25/46/69/569254669.db2.gz ZAAMKGRWMVSBQX-UHFFFAOYSA-N 0 0 411.552 4.621 50 0 HJAARN Nc1cccc(S[C@H]2CC(=O)N(c3ccc(-c4nc5ccccc5o4)cc3)C2=O)c1 ZINC000013576092 569256211 /nfs/dbraw/zinc/25/62/11/569256211.db2.gz VSQSQVVMKSGVDL-FQEVSTJZSA-N 0 0 415.474 4.501 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1 ZINC000013611199 569256718 /nfs/dbraw/zinc/25/67/18/569256718.db2.gz HKOGKHODXONHHC-UHFFFAOYSA-N 0 0 423.904 4.586 50 0 HJAARN COC(=O)c1ccccc1S(=O)(=O)N(Cc1ccccc1)c1ccccc1Cl ZINC000014390486 569259843 /nfs/dbraw/zinc/25/98/43/569259843.db2.gz QOUIYYQNHBDXDP-UHFFFAOYSA-N 0 0 415.898 4.522 50 0 HJAARN CCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1C ZINC000014427969 569259988 /nfs/dbraw/zinc/25/99/88/569259988.db2.gz JJNLIVRSLABZSK-GOSISDBHSA-N 0 0 414.571 4.681 50 0 HJAARN COc1ccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2ccccc2Cl)cc1 ZINC000014610082 569260846 /nfs/dbraw/zinc/26/08/46/569260846.db2.gz XRFFYPRGLDKMLA-UHFFFAOYSA-N 0 0 404.857 4.849 50 0 HJAARN Cc1cc(NCc2ccc(N3CCCC3)nc2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000089595743 569261031 /nfs/dbraw/zinc/26/10/31/569261031.db2.gz CBUWERYVNXPVQM-UHFFFAOYSA-N 0 0 401.436 4.807 50 0 HJAARN Cc1ccc2cccc(C(=O)NC3(c4noc([C@@H]5CCCO5)n4)CCCCCC3)c2n1 ZINC000089665946 569262237 /nfs/dbraw/zinc/26/22/37/569262237.db2.gz CAXDIGUSGHQRJA-IBGZPJMESA-N 0 0 420.513 4.757 50 0 HJAARN NS(=O)(=O)c1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc32)cc1 ZINC000016755005 569262453 /nfs/dbraw/zinc/26/24/53/569262453.db2.gz MGLYRHRXJIWXIQ-LYBHJNIJSA-N 0 0 410.882 4.633 50 0 HJAARN COCCn1c(=O)c2[nH]c3ccccc3c2nc1SCc1c(F)cccc1Cl ZINC000016837376 569263793 /nfs/dbraw/zinc/26/37/93/569263793.db2.gz GVDGSSLLJBSOIV-UHFFFAOYSA-N 0 0 417.893 4.609 50 0 HJAARN CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5)oc4C)ccn3n2)cc1 ZINC000016840094 569264433 /nfs/dbraw/zinc/26/44/33/569264433.db2.gz KOCHNVHULRZWFF-UHFFFAOYSA-N 0 0 410.477 4.737 50 0 HJAARN COc1ccc(-c2cn3c(CCC(=O)Nc4ccc(N(C)C)cc4)csc3n2)cc1 ZINC000016848850 569265526 /nfs/dbraw/zinc/26/55/26/569265526.db2.gz JUCQKJDWXOYYAN-UHFFFAOYSA-N 0 0 420.538 4.709 50 0 HJAARN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)N1CCC[C@H]1C1CCCC1 ZINC000089800389 569266072 /nfs/dbraw/zinc/26/60/72/569266072.db2.gz IHAMICQVNZUZEK-RDJZCZTQSA-N 0 0 412.477 4.690 50 0 HJAARN O=C(CCCc1ncc(-c2ccccc2)o1)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000089851245 569267322 /nfs/dbraw/zinc/26/73/22/569267322.db2.gz ZEKLGSJUWWBBAR-UHFFFAOYSA-N 0 0 406.486 4.510 50 0 HJAARN CC(C)c1nnc(CCC(=O)N(c2ccccc2)c2ncccc2Br)o1 ZINC000089893801 569268063 /nfs/dbraw/zinc/26/80/63/569268063.db2.gz RWTRPQIHPFSWML-UHFFFAOYSA-N 0 0 415.291 4.648 50 0 HJAARN CCC(=O)N1N=C(c2ccccc2OC)C[C@@H]1c1cc2cc(OC)ccc2nc1Cl ZINC000089941556 569269291 /nfs/dbraw/zinc/26/92/91/569269291.db2.gz KXRWTHQOWQKOEK-HXUWFJFHSA-N 0 0 423.900 4.993 50 0 HJAARN Cc1ccc(C(=O)N2CCN(c3cc(Oc4ccc(Cl)cc4)ncn3)C[C@@H]2C)cc1 ZINC000037356146 569272501 /nfs/dbraw/zinc/27/25/01/569272501.db2.gz LGPGRQPHYMLMJL-KRWDZBQOSA-N 0 0 422.916 4.582 50 0 HJAARN COc1ccccc1-c1nc(NC(C)C)nc2nn(-c3ccc(Cl)cc3)c(N)c21 ZINC000037357717 569275672 /nfs/dbraw/zinc/27/56/72/569275672.db2.gz WNOFEKTVPFFTMM-UHFFFAOYSA-N 0 0 408.893 4.547 50 0 HJAARN Clc1ccc(Nc2nc(NC[C@H]3CCCO3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017200423 569276551 /nfs/dbraw/zinc/27/65/51/569276551.db2.gz LWSWWCPNBLYBCL-GOSISDBHSA-N 0 0 420.904 4.803 50 0 HJAARN COc1ccc(/C=C/c2nnc(NC(=O)c3ccccc3Br)s2)cc1 ZINC000017247655 569276844 /nfs/dbraw/zinc/27/68/44/569276844.db2.gz ZKOTVNOUGLTSQL-DHZHZOJOSA-N 0 0 416.300 4.732 50 0 HJAARN COc1ccc(-c2oc3ccccc3c(=O)c2OC(=O)C2CCCCC2)cc1OC ZINC000000937023 569276853 /nfs/dbraw/zinc/27/68/53/569276853.db2.gz RWILIYJEMYHDTK-UHFFFAOYSA-N 0 0 408.450 4.963 50 0 HJAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000002093609 569280617 /nfs/dbraw/zinc/28/06/17/569280617.db2.gz IRDFNUJWZCFSPX-UHFFFAOYSA-N 0 0 407.372 4.756 50 0 biogenic HJAARN Cc1c(C)c(=O)oc2c(C)c(OC(=O)CCCCCNC(=O)OC(C)(C)C)ccc12 ZINC000002094647 569280828 /nfs/dbraw/zinc/28/08/28/569280828.db2.gz MCTKNIPNEUYSNT-UHFFFAOYSA-N 0 0 417.502 4.709 50 0 biogenic HJAARN COC(=O)Cc1c(C)c2ccc(OCc3c(C)c(C)c(C)c(C)c3C)cc2oc1=O ZINC000002096508 569280920 /nfs/dbraw/zinc/28/09/20/569280920.db2.gz LJACDNPYTOSEGL-UHFFFAOYSA-N 0 0 408.494 4.938 50 0 biogenic HJAARN COc1ccc2c(c1)c(C(=O)COc1ccc3c(C)c(C)c(=O)oc3c1C)c(C)n2C ZINC000002095991 569280926 /nfs/dbraw/zinc/28/09/26/569280926.db2.gz JMFMYZHNOQYDAM-UHFFFAOYSA-N 0 0 419.477 4.789 50 0 biogenic HJAARN CCOC(=O)CCc1c(C)c2ccc(OCc3c(F)cccc3Cl)cc2oc1=O ZINC000002096344 569281061 /nfs/dbraw/zinc/28/10/61/569281061.db2.gz XOHNUBRHJOIBPH-UHFFFAOYSA-N 0 0 418.848 4.969 50 0 biogenic HJAARN COc1ccc([C@@H]2CCCCCN2C(=O)Cc2ccn(-c3ccc(F)cc3)n2)cc1 ZINC000170640114 569282030 /nfs/dbraw/zinc/28/20/30/569282030.db2.gz SIGXWLIMRSFKON-QHCPKHFHSA-N 0 0 407.489 4.706 50 0 HJAARN Cc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 ZINC000000623009 569282247 /nfs/dbraw/zinc/28/22/47/569282247.db2.gz NOJXMLZKGZPAFW-UHFFFAOYSA-N 0 0 414.534 4.897 50 0 HJAARN Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c1 ZINC000000860563 569282364 /nfs/dbraw/zinc/28/23/64/569282364.db2.gz MERNLZRGFWUGIO-UHFFFAOYSA-N 0 0 415.522 4.677 50 0 HJAARN CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nc2sc(C)c(C)c2c1=O ZINC000002522449 569282829 /nfs/dbraw/zinc/28/28/29/569282829.db2.gz UNNVCKITVNNYJX-UHFFFAOYSA-N 0 0 415.584 4.751 50 0 HJAARN COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2)cc1 ZINC000002105436 569282976 /nfs/dbraw/zinc/28/29/76/569282976.db2.gz YCTBWOYOWHIENS-QHCPKHFHSA-N 0 0 411.457 4.590 50 0 biogenic HJAARN Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)cc1 ZINC000000744071 569287650 /nfs/dbraw/zinc/28/76/50/569287650.db2.gz MYPMYYNRPSAMHL-UHFFFAOYSA-N 0 0 414.534 4.897 50 0 HJAARN O=C(CSc1nnc(COc2ccccc2)n1Cc1ccccc1)c1ccccc1 ZINC000002544646 569288440 /nfs/dbraw/zinc/28/84/40/569288440.db2.gz LNVYJRPBVSRABM-UHFFFAOYSA-N 0 0 415.518 4.880 50 0 HJAARN CCCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H](CC)NC(=O)OC(C)(C)C)c12 ZINC000002146879 569289750 /nfs/dbraw/zinc/28/97/50/569289750.db2.gz KQSZLKPDJVVDGL-INIZCTEOSA-N 0 0 417.502 4.653 50 0 biogenic HJAARN Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)NCCc2ccccc2Cl)cc1C ZINC000002152531 569290152 /nfs/dbraw/zinc/29/01/52/569290152.db2.gz WUERLBDIXIQMDV-PXLXIMEGSA-N 0 0 422.912 4.680 50 0 HJAARN COc1ccccc1C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000012761042 569291655 /nfs/dbraw/zinc/29/16/55/569291655.db2.gz BBKMNXUAUINMDX-UHFFFAOYSA-N 0 0 403.301 4.757 50 0 HJAARN CC(C)n1c2ccc(C(=O)N(C)[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)cc2nc1C(F)(F)F ZINC000252516408 569292122 /nfs/dbraw/zinc/29/21/22/569292122.db2.gz SJIKECIKEAXFPB-IAOVAPTHSA-N 0 0 409.452 4.522 50 0 HJAARN Cc1sc2ncn(C[C@H](O)COc3cc(C)c(Cl)cc3C(C)C)c(=O)c2c1C ZINC000170648906 569292360 /nfs/dbraw/zinc/29/23/60/569292360.db2.gz SCKWUIHBTJBZEE-HNNXBMFYSA-N 0 0 420.962 4.600 50 0 HJAARN COc1ccc([C@@H](C(C)C)N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)cc1OC ZINC000252537183 569292918 /nfs/dbraw/zinc/29/29/18/569292918.db2.gz KOTPLUZQGAFTLN-OAQYLSRUSA-N 0 0 406.486 4.539 50 0 HJAARN CC[C@H](C)COC(=O)c1c(N)n(Cc2ccc(C)cc2)c2nc3ccccc3nc12 ZINC000002193456 569293876 /nfs/dbraw/zinc/29/38/76/569293876.db2.gz OBCMHJMLDKZIFH-HNNXBMFYSA-N 0 0 402.498 4.726 50 0 HJAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccco2)N1c1nc2ccc(F)cc2s1 ZINC000002198370 569294737 /nfs/dbraw/zinc/29/47/37/569294737.db2.gz KPIUBBYOKAOPSM-GOSISDBHSA-N 0 0 418.405 4.885 50 0 HJAARN Cc1cc2nc(Cc3ccccc3F)n([C@H](C)C(=O)NCc3ccccn3)c2cc1C ZINC000037397497 569296807 /nfs/dbraw/zinc/29/68/07/569296807.db2.gz RABNWEAMDMSFMY-GOSISDBHSA-N 0 0 416.500 4.655 50 0 HJAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(Cl)c3)cc2)cc1 ZINC000007652673 569298995 /nfs/dbraw/zinc/29/89/95/569298995.db2.gz BHQSWRUKVLYXQC-UHFFFAOYSA-N 0 0 414.914 4.726 50 0 HJAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000007654298 569299125 /nfs/dbraw/zinc/29/91/25/569299125.db2.gz PESHDNHFUVLEIH-UHFFFAOYSA-N 0 0 410.260 4.945 50 0 HJAARN O=C(c1ccccc1F)N(Cc1ccccc1F)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037440956 569299596 /nfs/dbraw/zinc/29/95/96/569299596.db2.gz VRFTWMQJABZCPN-IBGZPJMESA-N 0 0 424.422 4.940 50 0 HJAARN C[C@@H](Sc1nncn1-c1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000007677760 569300257 /nfs/dbraw/zinc/30/02/57/569300257.db2.gz QSYSHVYEFOBLSH-GOSISDBHSA-N 0 0 414.534 4.654 50 0 HJAARN O=C(Nc1ccc(-c2nccs2)cc1)c1cccc(I)c1 ZINC000007684139 569300568 /nfs/dbraw/zinc/30/05/68/569300568.db2.gz RHZWERMJCXFUSH-UHFFFAOYSA-N 0 0 406.248 4.667 50 0 HJAARN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C1c2ccccc2Oc2ccccc21 ZINC000007706179 569301458 /nfs/dbraw/zinc/30/14/58/569301458.db2.gz SFDDUFMVWJSUEC-KRWDZBQOSA-N 0 0 410.477 4.725 50 0 HJAARN O=C(NCc1ccc2c(c1)OCO2)c1cc2sccc2n1Cc1ccccc1F ZINC000037525458 569304036 /nfs/dbraw/zinc/30/40/36/569304036.db2.gz CGURWZGKIXPHOX-UHFFFAOYSA-N 0 0 408.454 4.549 50 0 HJAARN CCOc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2cccnc2)cc1 ZINC000007737154 569304753 /nfs/dbraw/zinc/30/47/53/569304753.db2.gz FXROBVVEYYDREM-UHFFFAOYSA-N 0 0 418.522 4.899 50 0 HJAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(F)cc2F)c1CCC(=O)NC(C)C ZINC000037547339 569305844 /nfs/dbraw/zinc/30/58/44/569305844.db2.gz GHZGUQYOJKIQCJ-UHFFFAOYSA-N 0 0 417.431 4.848 50 0 HJAARN COc1ccccc1C(=O)Nc1ncc2c(n1)C[C@H](c1ccc(C(C)C)cc1)CC2=O ZINC000002211312 569307524 /nfs/dbraw/zinc/30/75/24/569307524.db2.gz HFWKMNCOIAUKLW-SFHVURJKSA-N 0 0 415.493 4.774 50 0 HJAARN Cc1noc(C)c1COc1ccc(C(=O)OCCOc2ccc(Cl)cc2)cc1 ZINC000007777541 569308701 /nfs/dbraw/zinc/30/87/01/569308701.db2.gz VZDIYOJDRFQZFI-UHFFFAOYSA-N 0 0 401.846 4.760 50 0 HJAARN Cc1ccc(Sc2ncccc2C(=O)Nc2ccnn2Cc2ccncc2)c(C)c1 ZINC000007778067 569308821 /nfs/dbraw/zinc/30/88/21/569308821.db2.gz ZIJZIOXRVRXCLG-UHFFFAOYSA-N 0 0 415.522 4.742 50 0 HJAARN CCCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)CC(C)C)CC2 ZINC000037601291 569309208 /nfs/dbraw/zinc/30/92/08/569309208.db2.gz CEIDMIAKJNGBJR-CLOONOSVSA-N 0 0 422.569 4.500 50 0 HJAARN COc1ccc(-c2csc3ncnc(N(C)C[C@H]4COc5ccccc5O4)c23)cc1 ZINC000007780972 569310096 /nfs/dbraw/zinc/31/00/96/569310096.db2.gz GYBQJAXBUXMDKO-KRWDZBQOSA-N 0 0 419.506 4.643 50 0 HJAARN O=C(CSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)Nc1ccc(F)cc1 ZINC000007789593 569310532 /nfs/dbraw/zinc/31/05/32/569310532.db2.gz KEJBPZBSGPNVOK-UHFFFAOYSA-N 0 0 407.474 4.631 50 0 HJAARN CCc1ccc(-c2nnc3c4cnn(-c5ccc(Cl)c(Cl)c5)c4ncn32)cc1 ZINC000002219524 569312095 /nfs/dbraw/zinc/31/20/95/569312095.db2.gz FCBXOCCJENVDLH-UHFFFAOYSA-N 0 0 409.280 4.999 50 0 HJAARN O=C(c1cc(Cl)cc2cccnc21)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000195696241 569313507 /nfs/dbraw/zinc/31/35/07/569313507.db2.gz RUJMYZGIUACXBI-UHFFFAOYSA-N 0 0 402.828 4.850 50 0 HJAARN Cc1cc2nc3sc(=Cc4ccc(-c5ccc(Cl)cc5)o4)c(=O)n3c2cc1C ZINC000252676297 569319603 /nfs/dbraw/zinc/31/96/03/569319603.db2.gz WRKPOLUOUTWXFW-UHFFFAOYSA-N 0 0 406.894 4.987 50 0 HJAARN Oc1cc2ccccc2cc1-c1nc2c3cnn(-c4cccc(Cl)c4)c3ncn2n1 ZINC000002231491 569319833 /nfs/dbraw/zinc/31/98/33/569319833.db2.gz ABHJZVBOAUKUAN-UHFFFAOYSA-N 0 0 412.840 4.642 50 0 HJAARN CCc1cccc(C)c1N(C(=O)CSCc1nc2ccccc2[nH]1)[C@@H](C)COC ZINC000002233413 569320065 /nfs/dbraw/zinc/32/00/65/569320065.db2.gz ZNLGGPOKYBKXKB-KRWDZBQOSA-N 0 0 411.571 4.735 50 0 HJAARN Cc1ccc([C@]2(CCNS(=O)(=O)c3ccc(C)cc3)CCO[C@@H](C(C)C)C2)cc1 ZINC000002237265 569322197 /nfs/dbraw/zinc/32/21/97/569322197.db2.gz IDNUCAKYMLCODK-DNQXCXABSA-N 0 0 415.599 4.745 50 0 HJAARN Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)Oc2ccccc2Cl)c1 ZINC000003012724 569322821 /nfs/dbraw/zinc/32/28/21/569322821.db2.gz OHRNEDGLQPGLQA-UHFFFAOYSA-N 0 0 401.871 4.668 50 0 HJAARN CCOC(=O)c1cccc(-n2c(-c3ccc(F)cc3)nc3nc4ccccc4nc32)c1 ZINC000002247383 569324376 /nfs/dbraw/zinc/32/43/76/569324376.db2.gz RBTFIWCWCNFAKF-UHFFFAOYSA-N 0 0 412.424 4.952 50 0 HJAARN Cc1ccc(CNC(=O)c2c(N)n(-c3ccccc3C)c3nc4ccccc4nc32)cc1 ZINC000002249774 569324573 /nfs/dbraw/zinc/32/45/73/569324573.db2.gz TYBPERUYEWEWDK-UHFFFAOYSA-N 0 0 421.504 4.703 50 0 HJAARN COc1ccc(-n2c(N)c(C(=O)OCC(C)C)c3nc4ccccc4nc32)cc1Cl ZINC000002252950 569324622 /nfs/dbraw/zinc/32/46/22/569324622.db2.gz SOXSBGKKKMPRFM-UHFFFAOYSA-N 0 0 424.888 4.631 50 0 HJAARN COc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(C)cc2)cc1 ZINC000002250172 569324637 /nfs/dbraw/zinc/32/46/37/569324637.db2.gz IRJGTLBCRVKZEP-DQEYMECFSA-N 0 0 422.488 4.808 50 0 HJAARN Cn1c2ccccc2nc1-c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 ZINC000019877699 569357445 /nfs/dbraw/zinc/35/74/45/569357445.db2.gz SFXKACWIHBMEMZ-UHFFFAOYSA-N 0 0 404.477 4.769 50 0 HJAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3[C@@H](O)C(=O)[C@@]21C ZINC000257347509 569363896 /nfs/dbraw/zinc/36/38/96/569363896.db2.gz JUIAJKQHOKYMHP-UCRNNGOCSA-N 0 0 404.591 4.775 50 0 HJAARN CSCC[C@@H](NC(=O)c1cccc(Br)c1)c1nc2ccccc2[nH]1 ZINC000002284757 569364496 /nfs/dbraw/zinc/36/44/96/569364496.db2.gz GIVPCDKKKUQUBK-MRXNPFEDSA-N 0 0 404.333 4.550 50 0 HJAARN Cc1cc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)co1 ZINC000253420469 569367811 /nfs/dbraw/zinc/36/78/11/569367811.db2.gz XKWZNSPCMMGOAF-KRWDZBQOSA-N 0 0 400.475 4.967 50 0 HJAARN O=C(NC1CCCC1)C1(N(Cc2cccs2)C(=O)c2ccccn2)CCCCC1 ZINC000002457447 569367928 /nfs/dbraw/zinc/36/79/28/569367928.db2.gz YDBRGXVTNYWGLE-UHFFFAOYSA-N 0 0 411.571 4.547 50 0 HJAARN CCOc1ccc(-n2c(N)c(C(=O)Nc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002304532 569372277 /nfs/dbraw/zinc/37/22/77/569372277.db2.gz CHPDLBBJAPSIAG-UHFFFAOYSA-N 0 0 423.476 4.807 50 0 HJAARN Nc1c(C(=O)NC2CCCCC2)c2nc3ccccc3nc2n1-c1ccc(Cl)cc1 ZINC000002308391 569372655 /nfs/dbraw/zinc/37/26/55/569372655.db2.gz GYRVUTMECSCUHW-UHFFFAOYSA-N 0 0 419.916 4.872 50 0 HJAARN CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1coc3ccccc3c1=O)NC2 ZINC000054979035 569372895 /nfs/dbraw/zinc/37/28/95/569372895.db2.gz TYSGOOQFEPLJAB-DEOSSOPVSA-N 0 0 416.477 4.574 50 0 HJAARN CCCC[C@H](NC(=O)CCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000002315316 569373111 /nfs/dbraw/zinc/37/31/11/569373111.db2.gz AIONUDQLZAUZOY-QFIPXVFZSA-N 0 0 406.526 4.891 50 0 HJAARN Cc1ccc(S(=O)(=O)c2c(N)n(C3CCCCC3)c3nc4ccccc4nc32)cc1 ZINC000002315040 569373118 /nfs/dbraw/zinc/37/31/18/569373118.db2.gz CWGHBWXBEIFENS-UHFFFAOYSA-N 0 0 420.538 4.813 50 0 HJAARN CCOc1ccc(NC(=O)c2c(N)n(-c3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002318386 569374191 /nfs/dbraw/zinc/37/41/91/569374191.db2.gz ZNUZGXSHZXQVHN-UHFFFAOYSA-N 0 0 423.476 4.807 50 0 HJAARN CC[C@@H](C(=O)Nc1c2cc(Br)ccc2[nH]c1C(=O)OC)c1ccccc1 ZINC000002339675 569376201 /nfs/dbraw/zinc/37/62/01/569376201.db2.gz BJNJVSNXSFZWLU-CQSZACIVSA-N 0 0 415.287 4.849 50 0 HJAARN CC(=O)O[C@@H]1C=C2CC[C@@H]3[C@@H]4CC[C@](OC(C)=O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000253534432 569382840 /nfs/dbraw/zinc/38/28/40/569382840.db2.gz JNZLFQBVNULBKB-HUVRVWIJSA-N 0 0 416.558 4.772 50 0 HJAARN COC(=O)COc1ccc(-c2nnc(Nc3ccc(OC)cc3)c3ccccc32)cc1 ZINC000002359603 569385557 /nfs/dbraw/zinc/38/55/57/569385557.db2.gz AGZHJBHOANOFRV-UHFFFAOYSA-N 0 0 415.449 4.601 50 0 HJAARN O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1cc(=O)[nH]c2ccccc21 ZINC000252508088 569387772 /nfs/dbraw/zinc/38/77/72/569387772.db2.gz XCHVFKITEIMQPQ-QFIPXVFZSA-N 0 0 408.461 4.531 50 0 HJAARN CC(C)n1nccc1[C@@H]1CC(=O)Oc2ccc3c(=O)c(-c4ccc(F)cc4)coc3c21 ZINC000253413371 569389045 /nfs/dbraw/zinc/38/90/45/569389045.db2.gz UPUQJWVBJHEPIN-KRWDZBQOSA-N 0 0 418.424 4.818 50 0 HJAARN COCCCNc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)C[C@H](C)CC3 ZINC000002384354 569391810 /nfs/dbraw/zinc/39/18/10/569391810.db2.gz ZRWDPCOAGVIRKJ-CYBMUJFWSA-N 0 0 417.962 4.674 50 0 HJAARN CN(C)c1ccc([C@H](O)[P@](=O)(OCc2ccccc2)c2ccc(N(C)C)cc2)cc1 ZINC000002386615 569392105 /nfs/dbraw/zinc/39/21/05/569392105.db2.gz SZIGYIMGUCOGKS-AYWVHJORSA-N 0 0 424.481 4.630 50 0 HJAARN CCOc1ccc(CN(C)C(=O)c2cccnc2SCc2c(C)noc2C)cc1 ZINC000027747043 569392495 /nfs/dbraw/zinc/39/24/95/569392495.db2.gz GLVRYJDFIMYCGJ-UHFFFAOYSA-N 0 0 411.527 4.650 50 0 HJAARN COc1ccc([C@H](O)[P@](=O)(OCc2ccccc2)c2ccc(N(C)C)cc2)cc1 ZINC000002397670 569394603 /nfs/dbraw/zinc/39/46/03/569394603.db2.gz ZBCHVPFBTSZELS-RNWIMVQKSA-N 0 0 411.438 4.573 50 0 HJAARN O=C(Nc1nc2n(n1)[C@H](c1ccccc1Cl)C[C@@H](c1ccccc1)N2)c1ccco1 ZINC000002398369 569394654 /nfs/dbraw/zinc/39/46/54/569394654.db2.gz DFSMFAADKMMFOB-ROUUACIJSA-N 0 0 419.872 4.923 50 0 HJAARN COc1ccc(Cn2c3ccccc3nc2[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 ZINC000027792732 569395418 /nfs/dbraw/zinc/39/54/18/569395418.db2.gz ACKNJYXKYJUDGX-HXUWFJFHSA-N 0 0 411.505 4.922 50 0 HJAARN CSc1nc2c(sc3nc(-c4ccccc4)c4c(c32)CCC4)c(NCCO)n1 ZINC000002403563 569395777 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CCc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)cc1 ZINC000067292774 571068152 /nfs/dbraw/zinc/06/81/52/571068152.db2.gz BWWWPPLHJNNNRM-YXKKDJNZSA-N 0 0 410.901 4.790 50 0 HJAARN CSc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)c1 ZINC000067293239 571069079 /nfs/dbraw/zinc/06/90/79/571069079.db2.gz YFMAPFLERYDCNM-GYHWCHFESA-N 0 0 403.463 4.740 50 0 HJAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc3c(c2)OCO3)cc1 ZINC000067297602 571071803 /nfs/dbraw/zinc/07/18/03/571071803.db2.gz NUVNUGWUHAMSGJ-LCUIJRPUSA-N 0 0 414.417 4.655 50 0 HJAARN CN(Cc1ccccc1)c1nnc(NC(=O)Nc2cccc(Br)c2)s1 ZINC000008587578 571083799 /nfs/dbraw/zinc/08/37/99/571083799.db2.gz OBUDEXVAHLBVCJ-UHFFFAOYSA-N 0 0 418.320 4.581 50 0 HJAARN COC(=O)c1ccccc1NC(=O)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000008602171 571090882 /nfs/dbraw/zinc/09/08/82/571090882.db2.gz ZBELPSMJCXJWEW-UHFFFAOYSA-N 0 0 423.900 4.969 50 0 HJAARN O=c1n2nc(-c3ccccc3)nc2c2ccccc2n1Cc1cccc(C(F)(F)F)c1 ZINC000008604281 571091668 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/nfs/dbraw/zinc/70/65/04/519706504.db2.gz AJINSRMAPGKIMN-UHFFFAOYSA-N 0 0 407.514 4.532 50 0 HJAARN CC(C)CN1c2cccc(Cl)c2[C@@]2(CC(=O)Nc3c2cnn3C(C)(C)C)C1=O ZINC000032087562 519733039 /nfs/dbraw/zinc/73/30/39/519733039.db2.gz BMVXAXPDLOEITC-NRFANRHFSA-N 0 0 400.910 4.572 50 0 HJAARN CC(C)[C@H](SC1=Nc2ccccc2CS1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000043030757 519823918 /nfs/dbraw/zinc/82/39/18/519823918.db2.gz BCAKNJMMZUQSSN-IBGZPJMESA-N 0 0 411.552 4.664 50 0 HJAARN CCN(CC(=O)Nc1ccc(C)cc1Br)[C@@H](C)c1cccc(OC)c1 ZINC000032927262 520358329 /nfs/dbraw/zinc/35/83/29/520358329.db2.gz MRGNOKYUCXZIRA-HNNXBMFYSA-N 0 0 405.336 4.788 50 0 HJAARN CCCOc1ccc(NC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)c2cccnc12 ZINC000032624395 520398694 /nfs/dbraw/zinc/39/86/94/520398694.db2.gz HFFAYZKJMWDJDM-UHFFFAOYSA-N 0 0 402.450 4.999 50 0 HJAARN CCN(CC)C(=O)[C@H](Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccccc1 ZINC000032739725 520538259 /nfs/dbraw/zinc/53/82/59/520538259.db2.gz RRGNBUJYAQRQCI-HSZRJFAPSA-N 0 0 417.557 4.693 50 0 HJAARN CCOc1ccc(-c2cc(C(=O)NC[C@@H](C)Oc3ccc(Cl)cc3)no2)cc1 ZINC000041155629 520805987 /nfs/dbraw/zinc/80/59/87/520805987.db2.gz BGNRVBCEWSFAKU-CQSZACIVSA-N 0 0 400.862 4.591 50 0 HJAARN CCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H](c2ccccc2)C=C[C@H]3c2ccccc2)cc1 ZINC000239402601 521038585 /nfs/dbraw/zinc/03/85/85/521038585.db2.gz QVHCBIHNSPQTPJ-QEGGNFSNSA-N 0 0 423.512 5.328 50 0 HJAARN CCOc1ccc(NC(=O)C2CCN(c3nccnc3Oc3ccccc3)CC2)cc1 ZINC000033141958 521054771 /nfs/dbraw/zinc/05/47/71/521054771.db2.gz GPIQJOWSJXHALR-UHFFFAOYSA-N 0 0 418.497 4.523 50 0 HJAARN CCOc1ccc(OCC)c(Nc2nc3ccccc3nc2C(=O)OCC(C)C)c1 ZINC000045901728 521171111 /nfs/dbraw/zinc/17/11/11/521171111.db2.gz OQJBZOVNNBOONZ-UHFFFAOYSA-N 0 0 409.486 4.984 50 0 HJAARN CCC(=O)Nc1nc2ccc(CC(=O)Nc3ccc(Br)cc3)cc2s1 ZINC000032959680 521229510 /nfs/dbraw/zinc/22/95/10/521229510.db2.gz RFFCCVRHMUQPPY-UHFFFAOYSA-N 0 0 418.316 4.589 50 0 HJAARN CCOc1cccc(-c2nn3c(nnc3-c3cc(-c4ccc(C)cc4)n[nH]3)s2)c1 ZINC000019827230 521313582 /nfs/dbraw/zinc/31/35/82/521313582.db2.gz FRNQAUSMXOXZOU-UHFFFAOYSA-N 0 0 402.483 4.617 50 0 HJAARN CCc1cccc(NC(=O)C2CCN(c3nccnc3Oc3ccccc3)CC2)c1 ZINC000033141968 521749243 /nfs/dbraw/zinc/74/92/43/521749243.db2.gz LACOEFGDKGKQCU-UHFFFAOYSA-N 0 0 402.498 4.686 50 0 HJAARN COC(=O)c1ccc([C@@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)cc1 ZINC000263584945 522167144 /nfs/dbraw/zinc/16/71/44/522167144.db2.gz CICPNGKCUNEESY-FQEVSTJZSA-N 0 0 410.473 4.950 50 0 biogenic HJAARN COc1cc(Cl)c(NC(=O)c2cc3cc(Br)ccc3[nH]2)cc1OC ZINC000032771115 522527288 /nfs/dbraw/zinc/52/72/88/522527288.db2.gz FMMRYJCVOATDMP-UHFFFAOYSA-N 0 0 409.667 4.853 50 0 HJAARN COc1cc(Nc2cc(C(=O)N3CCCCC3)nc3ccc(C)cc32)cc(OC)c1 ZINC000044168071 522766122 /nfs/dbraw/zinc/76/61/22/522766122.db2.gz PLMKBVKCJLTVCC-UHFFFAOYSA-N 0 0 405.498 4.930 50 0 HJAARN COc1ccc(-c2csc(CCNC(=O)c3ccc(Br)cc3)n2)cc1 ZINC000031848792 523164008 /nfs/dbraw/zinc/16/40/08/523164008.db2.gz VVPZZSIWEFKFMH-UHFFFAOYSA-N 0 0 417.328 4.554 50 0 HJAARN CCn1c(CSc2nc3ccccc3s2)nnc1S[C@@H](C)c1nc(C)no1 ZINC000032905998 523202641 /nfs/dbraw/zinc/20/26/41/523202641.db2.gz FGAVSDFBAXQWFN-JTQLQIEISA-N 0 0 418.573 4.745 50 0 HJAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccccc4F)cc3)n2)cc1 ZINC000032579037 523276072 /nfs/dbraw/zinc/27/60/72/523276072.db2.gz TUNZYDZOLAXVHH-UHFFFAOYSA-N 0 0 419.412 4.569 50 0 HJAARN CN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000044774945 523279357 /nfs/dbraw/zinc/27/93/57/523279357.db2.gz ARGMKEIULVSZSO-IAGOWNOFSA-N 0 0 406.507 4.733 50 0 HJAARN COc1ccc(-c2noc(-c3sc(NC(=O)c4ccccc4F)nc3C)n2)cc1 ZINC000031814338 523280155 /nfs/dbraw/zinc/28/01/55/523280155.db2.gz XFUGLKKZNDQEBY-UHFFFAOYSA-N 0 0 410.430 4.569 50 0 HJAARN CN(Cc1cccc(Cl)c1Cl)C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000040104773 523305882 /nfs/dbraw/zinc/30/58/82/523305882.db2.gz DCEGIAAHRICZMN-KRWDZBQOSA-N 0 0 422.312 4.775 50 0 HJAARN COc1ccc(-n2nc(C3CC3)c3c2nc(-c2cnn(C)c2C)cc3C(F)F)cc1 ZINC000020602866 523348476 /nfs/dbraw/zinc/34/84/76/523348476.db2.gz DFRVJTCPJQCAQV-UHFFFAOYSA-N 0 0 409.440 4.953 50 0 HJAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cccnc1Sc1ccccc1 ZINC000032810742 523522318 /nfs/dbraw/zinc/52/23/18/523522318.db2.gz XYNHDYMMPRSKAV-UHFFFAOYSA-N 0 0 414.534 4.750 50 0 HJAARN CCn1nc(C)c2c1nc(O[C@@H](C)C(=O)Nc1cccc(F)c1)cc2-c1ccccc1 ZINC000045992281 523671732 /nfs/dbraw/zinc/67/17/32/523671732.db2.gz BZFGDRZMFVWXFW-INIZCTEOSA-N 0 0 418.472 4.972 50 0 HJAARN COc1ccc(C)cc1NC(=O)N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000021037471 523832794 /nfs/dbraw/zinc/83/27/94/523832794.db2.gz ZPFIHYLKPLPKFC-NRFANRHFSA-N 0 0 414.465 4.965 50 0 HJAARN CN(C(=O)CSc1nnnn1C1CCCCC1)C(c1ccccc1)c1ccccc1 ZINC000040009969 523841668 /nfs/dbraw/zinc/84/16/68/523841668.db2.gz XJXYQQRWZPYQRO-UHFFFAOYSA-N 0 0 421.570 4.518 50 0 HJAARN CCc1ccc(-c2cc3c(=O)[nH]nc(SCc4c(F)cccc4Cl)n3n2)cc1 ZINC000045972044 523853930 /nfs/dbraw/zinc/85/39/30/523853930.db2.gz LCKVOTOAIWTWHW-UHFFFAOYSA-N 0 0 414.893 4.732 50 0 HJAARN CCc1ccc(Cl)c(CC)c1NC(=O)N1CCN(C(=O)c2cccs2)CC1 ZINC000043388929 523952811 /nfs/dbraw/zinc/95/28/11/523952811.db2.gz HCDBNTXEGUHIAX-UHFFFAOYSA-N 0 0 405.951 4.516 50 0 HJAARN COc1ccc(Cl)cc1C(=O)OCc1nc(-c2ccc(Br)cc2)no1 ZINC000044836544 524200418 /nfs/dbraw/zinc/20/04/18/524200418.db2.gz RRPCFRILZSPORE-UHFFFAOYSA-N 0 0 423.650 4.518 50 0 HJAARN C[C@@H]1CCC[C@@H](NC(=O)CCC(=O)Nc2ccc(OCCc3ccccc3)cc2)[C@H]1C ZINC000248140596 524304383 /nfs/dbraw/zinc/30/43/83/524304383.db2.gz FJGYJYVPOMIGPN-JXALWOEJSA-N 0 0 422.569 4.968 50 0 HJAARN Cc1ccc(CNC(=O)CSc2nnc(SCc3cccs3)s2)cc1 ZINC000032823815 524508812 /nfs/dbraw/zinc/50/88/12/524508812.db2.gz GYTDAMQHKBAWBM-UHFFFAOYSA-N 0 0 407.611 4.609 50 0 HJAARN COc1ccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)o2)cc1OC ZINC000045943159 524510872 /nfs/dbraw/zinc/51/08/72/524510872.db2.gz VVGGEXRDVVIYDY-UHFFFAOYSA-N 0 0 404.875 4.743 50 0 HJAARN COc1ccc(NC(=O)C[C@H](c2ccc(C)cc2)N2Cc3ccccc3C2=O)cc1 ZINC000020561777 524521430 /nfs/dbraw/zinc/52/14/30/524521430.db2.gz SAJOXFAJYLSWJZ-HSZRJFAPSA-N 0 0 400.478 4.730 50 0 HJAARN COc1ccccc1NC(=O)NCCn1c2ccccc2nc1-c1ccc(F)cc1 ZINC000032950649 524614813 /nfs/dbraw/zinc/61/48/13/524614813.db2.gz OXSOZSCRMLDZMY-UHFFFAOYSA-N 0 0 404.445 4.673 50 0 HJAARN COc1ccccc1[C@@H](C)N(C)C(=O)COc1ccc(Cl)cc1Br ZINC000032796587 524714387 /nfs/dbraw/zinc/71/43/87/524714387.db2.gz MKFUCKWBKQYJEO-GFCCVEGCSA-N 0 0 412.711 4.710 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)c1nn(-c2ccccc2F)cc1Br ZINC000032932059 524757518 /nfs/dbraw/zinc/75/75/18/524757518.db2.gz KXXZTOJCIGFMOL-UHFFFAOYSA-N 0 0 408.658 4.988 50 0 HJAARN Cc1ccc(N(Cc2ccco2)C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 ZINC000032493052 524899728 /nfs/dbraw/zinc/89/97/28/524899728.db2.gz LEBCYIATWJBECJ-FQEVSTJZSA-N 0 0 420.484 4.813 50 0 HJAARN Cc1cc(F)ccc1NC(=O)CSc1nnc(-c2cccc(F)c2)n1CC(C)C ZINC000032579574 524988171 /nfs/dbraw/zinc/98/81/71/524988171.db2.gz HAAJEHXGSWYFME-UHFFFAOYSA-N 0 0 416.497 4.919 50 0 HJAARN COc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2cccc3ccccc32)C1 ZINC000035538897 524990872 /nfs/dbraw/zinc/99/08/72/524990872.db2.gz WRPQOLTUGJSVNX-GOSISDBHSA-N 0 0 412.493 4.647 50 0 HJAARN Cc1cc(N2CCN([C@H](C)c3nc4ccccc4n3C(F)F)CC2)nc(C(C)C)n1 ZINC000032879219 525083614 /nfs/dbraw/zinc/08/36/14/525083614.db2.gz GFURJQCTYZEIKB-MRXNPFEDSA-N 0 0 414.504 4.536 50 0 HJAARN Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2CC(C)C)c(F)c1 ZINC000032579570 525085767 /nfs/dbraw/zinc/08/57/67/525085767.db2.gz RJQURGGXBQDOCB-UHFFFAOYSA-N 0 0 412.534 4.703 50 0 HJAARN C[C@@H](NC(=O)CCCc1nc(-c2cccs2)no1)c1cccc(Br)c1 ZINC000032924578 525087316 /nfs/dbraw/zinc/08/73/16/525087316.db2.gz HAWGZEGDTAOJKN-GFCCVEGCSA-N 0 0 420.332 4.761 50 0 HJAARN Cc1ccc(NC(=O)Cn2c3ccccc3nc2C(=O)c2ccc(Cl)cc2)cc1 ZINC000032959136 525102200 /nfs/dbraw/zinc/10/22/00/525102200.db2.gz OMHACKLAPHITFL-UHFFFAOYSA-N 0 0 403.869 4.868 50 0 HJAARN C[C@@H](NC(=O)C[C@@H](NC(N)=O)c1ccccc1Cl)c1ccc(-c2ccccc2)cc1 ZINC000030229715 525127171 /nfs/dbraw/zinc/12/71/71/525127171.db2.gz YLHVXQXUHYEQNA-OPAMFIHVSA-N 0 0 421.928 4.984 50 0 HJAARN COc1ccc([C@@H](CC(=O)Nc2ccc(F)cc2)N2Cc3ccccc3C2=O)cc1 ZINC000020560616 525172402 /nfs/dbraw/zinc/17/24/02/525172402.db2.gz DXRVPLOJJLMXTI-JOCHJYFZSA-N 0 0 404.441 4.560 50 0 HJAARN Cc1ccccc1CSc1nnc2n1c1ccsc1c(=O)n2Cc1cccs1 ZINC000045924480 525187499 /nfs/dbraw/zinc/18/74/99/525187499.db2.gz BIEQJOFOSXQNOI-UHFFFAOYSA-N 0 0 424.576 4.816 50 0 HJAARN Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2ccc(SC3CCCC3)cc2)no1 ZINC000032809468 525212384 /nfs/dbraw/zinc/21/23/84/525212384.db2.gz TXZKSBDAPRUTGO-CQSZACIVSA-N 0 0 419.572 4.717 50 0 HJAARN C[C@H](NC(=O)c1ccccc1COc1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000032926441 525238112 /nfs/dbraw/zinc/23/81/12/525238112.db2.gz UMUHQTJAYWFSIX-INIZCTEOSA-N 0 0 408.885 4.676 50 0 HJAARN Cc1ccccc1NC(=O)Cc1nc(COc2ccc3c(C)cc(=O)oc3c2)cs1 ZINC000040161664 525245332 /nfs/dbraw/zinc/24/53/32/525245332.db2.gz RHBCESYOAKPUQQ-UHFFFAOYSA-N 0 0 420.490 4.627 50 0 HJAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CC(=O)N2c2ccc(F)cc2)cc1 ZINC000020446087 525278632 /nfs/dbraw/zinc/27/86/32/525278632.db2.gz VDOGEDXQZSMMJX-XMMPIXPASA-N 0 0 407.441 4.530 50 0 HJAARN COc1ccc([C@H](C)NC(=O)c2cc(-c3cccc4ccccc43)n[nH]2)cc1OC ZINC000044839331 525312666 /nfs/dbraw/zinc/31/26/66/525312666.db2.gz KGLJOWXYRCERGI-HNNXBMFYSA-N 0 0 401.466 4.738 50 0 HJAARN COc1ccc([C@H](CC(=O)Nc2ccc(F)c(F)c2)N2Cc3ccccc3C2=O)cc1 ZINC000020560730 525344154 /nfs/dbraw/zinc/34/41/54/525344154.db2.gz YZJYBNAJKIGDBJ-QFIPXVFZSA-N 0 0 422.431 4.699 50 0 HJAARN Cc1cc(O[C@H](C)C(=O)N[C@H](c2nccn2C)c2ccccc2F)ccc1C(C)C ZINC000048354123 525381904 /nfs/dbraw/zinc/38/19/04/525381904.db2.gz IFJAOSVAEFTBBH-VGSWGCGISA-N 0 0 409.505 4.664 50 0 HJAARN COc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2ccc(OC(F)(F)F)cc2)cc1O ZINC000040266366 525405004 /nfs/dbraw/zinc/40/50/04/525405004.db2.gz WMWMCKDNRDERCU-CQSZACIVSA-N 0 0 419.359 4.609 50 0 HJAARN Cc1ccc(OCCCn2c3ccccc3nc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000031903674 525416584 /nfs/dbraw/zinc/41/65/84/525416584.db2.gz ZMBCHSQANSLYIW-IBGZPJMESA-N 0 0 405.542 4.928 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/nfs/dbraw/zinc/06/83/74/557068374.db2.gz XOJXKSPIHQEDKC-UHFFFAOYSA-N 0 0 418.803 4.845 50 0 HJAARN COc1ccc([C@H]2[C@@H](Oc3ccccc3)C(=O)N2c2ccc(C)c(C)c2)cc1OC ZINC000000717827 557068642 /nfs/dbraw/zinc/06/86/42/557068642.db2.gz ZHYHURCCOGWEPT-BJKOFHAPSA-N 0 0 403.478 4.856 50 0 HJAARN CCOC(=O)C1=C(c2ccccc2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000000717907 557069063 /nfs/dbraw/zinc/06/90/63/557069063.db2.gz CLUIFIYJPFSGHT-KRWDZBQOSA-N 0 0 405.281 4.664 50 0 HJAARN O=C(c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3)N1CCCCCC1 ZINC000000720972 557070361 /nfs/dbraw/zinc/07/03/61/557070361.db2.gz FMWKZRILQGMQKZ-UHFFFAOYSA-N 0 0 414.431 4.530 50 0 HJAARN Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4)cc3O)nc2c1 ZINC000000724626 557072763 /nfs/dbraw/zinc/07/27/63/557072763.db2.gz SRUYBIOGIQGSEP-UHFFFAOYSA-N 0 0 403.463 4.636 50 0 HJAARN Cc1ccc(NC(=O)C2=C(C)N(C)C(=O)N[C@@H]2c2ccc3c4c(cccc42)CC3)cc1 ZINC000000727084 557073576 /nfs/dbraw/zinc/07/35/76/557073576.db2.gz GIJFTDWCGSVFKV-XMMPIXPASA-N 0 0 411.505 4.856 50 0 HJAARN COc1ccc2ccccc2c1[C@H]1NC(=S)NC(C)=C1C(=O)Nc1ccccc1C ZINC000000727053 557073657 /nfs/dbraw/zinc/07/36/57/557073657.db2.gz OWUBZVFDFMCSJG-QFIPXVFZSA-N 0 0 417.534 4.588 50 0 HJAARN CCOc1cc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)ccc1OC(C)=O ZINC000000728500 557074214 /nfs/dbraw/zinc/07/42/14/557074214.db2.gz PMGBDHVXBYHFNZ-NDENLUEZSA-N 0 0 401.418 4.508 50 0 HJAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000000730381 557074922 /nfs/dbraw/zinc/07/49/22/557074922.db2.gz KOFZKQPLUFVJPT-QGZVFWFLSA-N 0 0 414.571 4.800 50 0 HJAARN Cc1cccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2cccc(F)c2)c1 ZINC000000752789 557075893 /nfs/dbraw/zinc/07/58/93/557075893.db2.gz OSFAHVXGGLJDKL-UHFFFAOYSA-N 0 0 414.440 4.824 50 0 HJAARN O=C(c1ccccc1)N1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccccc1 ZINC000000758706 557077185 /nfs/dbraw/zinc/07/71/85/557077185.db2.gz OXAUSTVMMAEMQF-NRFANRHFSA-N 0 0 421.294 4.633 50 0 HJAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(C(=O)c2cccs2)CC1 ZINC000000784026 557079697 /nfs/dbraw/zinc/07/96/97/557079697.db2.gz AVWPGYCIVAMIQD-UHFFFAOYSA-N 0 0 416.852 4.911 50 0 HJAARN O=C(CSc1nnc(-c2cccnc2)n1C1CCCCC1)Nc1cccc(F)c1 ZINC000000784944 557080063 /nfs/dbraw/zinc/08/00/63/557080063.db2.gz YSBSAEANOMZYKJ-UHFFFAOYSA-N 0 0 411.506 4.715 50 0 HJAARN CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000000804725 557086250 /nfs/dbraw/zinc/08/62/50/557086250.db2.gz TUBSWCKLMGFDAK-GFCCVEGCSA-N 0 0 422.959 4.884 50 0 HJAARN O=C(/C=C/c1ccccc1)N1CCC(C(=O)Nc2nc(-c3ccccc3)cs2)CC1 ZINC000009365009 557088513 /nfs/dbraw/zinc/08/85/13/557088513.db2.gz CVRQXCUANUFWQK-VAWYXSNFSA-N 0 0 417.534 4.701 50 0 HJAARN COC(=O)c1c(NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)sc2c1CCCC2 ZINC000000826648 557094156 /nfs/dbraw/zinc/09/41/56/557094156.db2.gz UWSZYVGOHAUBPU-IINYFYTJSA-N 0 0 402.343 4.943 50 0 HJAARN O=C(Cc1ccccc1)Nc1ccccc1C(=O)OCC(=O)c1ccc(Cl)cc1 ZINC000000837152 557096886 /nfs/dbraw/zinc/09/68/86/557096886.db2.gz RELMYFIVCICSJT-UHFFFAOYSA-N 0 0 407.853 4.561 50 0 HJAARN Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CCCC[C@H]4C)c3n2)cc1 ZINC000000848680 557100198 /nfs/dbraw/zinc/10/01/98/557100198.db2.gz BXTQSKCPKBFFLF-CQSZACIVSA-N 0 0 402.420 4.738 50 0 HJAARN COc1ccc(/C=C/C(=O)NCCC(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000009455012 557105488 /nfs/dbraw/zinc/10/54/88/557105488.db2.gz GALHQQOFXPQNCZ-DTQAZKPQSA-N 0 0 416.477 4.646 50 0 HJAARN O=C(Nc1cccc(O)c1)c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F ZINC000000866035 557105674 /nfs/dbraw/zinc/10/56/74/557105674.db2.gz WFFOLPFLWDPYPC-IAGOWNOFSA-N 0 0 420.366 4.640 50 0 HJAARN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)cc1 ZINC000000891000 557112412 /nfs/dbraw/zinc/11/24/12/557112412.db2.gz SKOBUCLDFKGXSZ-HNNXBMFYSA-N 0 0 409.511 4.926 50 0 HJAARN COc1ccc([C@H](CCN2C(=O)c3ccccc3C2=O)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000000892511 557112744 /nfs/dbraw/zinc/11/27/44/557112744.db2.gz CSELFABKMWUWRS-QUCCMNQESA-N 0 0 407.510 4.670 50 0 HJAARN CCC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc(OC)c(OC)c1)c2=O ZINC000000939986 557121098 /nfs/dbraw/zinc/12/10/98/557121098.db2.gz GGMDVQFGFCXEOA-UHFFFAOYSA-N 0 0 422.355 4.811 50 0 biogenic HJAARN Cc1ccc(NC2=C(Cl)C(=O)N(c3ccc(Br)cc3)C2=O)c(C)c1 ZINC000000946302 557122853 /nfs/dbraw/zinc/12/28/53/557122853.db2.gz VKRINIFGBBKYMM-UHFFFAOYSA-N 0 0 405.679 4.502 50 0 HJAARN Cc1ccc(C)c(OCC(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)c1C ZINC000000951223 557124285 /nfs/dbraw/zinc/12/42/85/557124285.db2.gz CFIYWWIJNHVMCJ-UHFFFAOYSA-N 0 0 401.919 4.725 50 0 HJAARN COC(=O)c1ccc(COc2ccc3oc(-c4ccc(OC)cc4)cc(=O)c3c2)cc1 ZINC000000955676 557126057 /nfs/dbraw/zinc/12/60/57/557126057.db2.gz DJMQADKKZAAOSJ-UHFFFAOYSA-N 0 0 416.429 4.834 50 0 biogenic HJAARN Cc1cc2c3nnc(SCC(=O)Nc4ccc(C)c(Cl)c4)nc3[nH]c2c(C)c1 ZINC000000976833 557129308 /nfs/dbraw/zinc/12/93/08/557129308.db2.gz RVLBRGCVTYVAPF-UHFFFAOYSA-N 0 0 411.918 4.816 50 0 HJAARN O=C(NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1cccnc1 ZINC000000977577 557129497 /nfs/dbraw/zinc/12/94/97/557129497.db2.gz COHHYBNDHJZGFG-UHFFFAOYSA-N 0 0 408.870 4.670 50 0 HJAARN CC(=O)CSc1nnc(-c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)n1C ZINC000000980455 557130103 /nfs/dbraw/zinc/13/01/03/557130103.db2.gz HLZMLUYKDDBQFV-UHFFFAOYSA-N 0 0 422.554 4.713 50 0 HJAARN O=C(Cc1ccccc1)NC(=S)Nc1cccc(NC(=O)c2ccccc2Cl)c1 ZINC000000980422 557130121 /nfs/dbraw/zinc/13/01/21/557130121.db2.gz IFJALJAPXXEMTB-UHFFFAOYSA-N 0 0 423.925 4.648 50 0 HJAARN O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1ccc(F)cc1 ZINC000000987099 557132757 /nfs/dbraw/zinc/13/27/57/557132757.db2.gz BBIFYHILQGQXOR-UHFFFAOYSA-N 0 0 410.499 4.866 50 0 HJAARN O=C(Nc1c(C(=O)N2CCCCCC2)cnn1-c1ccccc1)c1ccccc1Cl ZINC000000992655 557135347 /nfs/dbraw/zinc/13/53/47/557135347.db2.gz ZGSFZKAMCBWWTQ-UHFFFAOYSA-N 0 0 422.916 4.794 50 0 HJAARN CC[C@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](CC)C2 ZINC000000996945 557138147 /nfs/dbraw/zinc/13/81/47/557138147.db2.gz CJQQMHNLURMGHL-YOEHRIQHSA-N 0 0 401.528 4.846 50 0 HJAARN COc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3ccc(OC)cc3)c2)cc1 ZINC000001006634 557141185 /nfs/dbraw/zinc/14/11/85/557141185.db2.gz IMVUOOPDJKYFBP-UHFFFAOYSA-N 0 0 410.857 4.862 50 0 HJAARN Cn1ccnc1SCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000001016903 557143294 /nfs/dbraw/zinc/14/32/94/557143294.db2.gz KHHOVNXCJBLTMO-IBGZPJMESA-N 0 0 410.930 4.544 50 0 HJAARN COc1cccc(NC(=O)[C@H]2CC2(c2cccc(OC)c2)c2cccc(OC)c2)c1 ZINC000001024863 557144764 /nfs/dbraw/zinc/14/47/64/557144764.db2.gz UCQFOLUWOIYCLU-HSZRJFAPSA-N 0 0 403.478 4.657 50 0 HJAARN Cc1nnc(Sc2nc3ccc(Cl)cc3s2)n1-c1ccc2c(c1)OCCO2 ZINC000001032409 557147546 /nfs/dbraw/zinc/14/75/46/557147546.db2.gz TXTGGHJNBIEBRL-UHFFFAOYSA-N 0 0 416.915 4.761 50 0 HJAARN O=S(=O)(c1ccc(Cl)cc1)N(CCc1ccccn1)c1ccc(Cl)cc1 ZINC000001033033 557148498 /nfs/dbraw/zinc/14/84/98/557148498.db2.gz JMNHGKSIRNFCLL-UHFFFAOYSA-N 0 0 407.322 4.826 50 0 HJAARN C[C@@H]1C[C@H](NC(=S)Nc2ccc(I)cc2F)CC(C)(C)C1 ZINC000001041441 557153471 /nfs/dbraw/zinc/15/34/71/557153471.db2.gz DMDYIBHZVORTCC-PWSUYJOCSA-N 0 0 420.335 4.932 50 0 HJAARN O=C(NC(=O)c1cn2cc(C(F)(F)F)cc(Cl)c2n1)Nc1ccc(Cl)cc1 ZINC000001042416 557154071 /nfs/dbraw/zinc/15/40/71/557154071.db2.gz URTHYWBSDPKQSD-UHFFFAOYSA-N 0 0 417.174 4.622 50 0 HJAARN O=c1oc(-c2ccc(Cl)cc2Cl)nc2ccc(I)cc12 ZINC000001046114 557156399 /nfs/dbraw/zinc/15/63/99/557156399.db2.gz YHCJMFWMMXTBLC-UHFFFAOYSA-N 0 0 418.017 4.766 50 0 HJAARN CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1)c1ccccc1 ZINC000001049233 557158424 /nfs/dbraw/zinc/15/84/24/557158424.db2.gz FLJIQHAVZDIVAZ-HSZRJFAPSA-N 0 0 422.550 4.640 50 0 HJAARN O=C(Nc1cccnc1)c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Cl ZINC000001064131 557165675 /nfs/dbraw/zinc/16/56/75/557165675.db2.gz NSQJNMAYSJHFNS-UHFFFAOYSA-N 0 0 417.778 4.716 50 0 HJAARN COc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2)=C(C)Nc2nc3ccccc3n21 ZINC000001069396 557168511 /nfs/dbraw/zinc/16/85/11/557168511.db2.gz RKUFWYZCLJTRPV-HSZRJFAPSA-N 0 0 410.477 4.973 50 0 HJAARN Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)[C@]21SCC(=O)N1c1ccc(F)cc1 ZINC000001069739 557168798 /nfs/dbraw/zinc/16/87/98/557168798.db2.gz YGRBMKXOAUNPHR-LFVRLGFBSA-N 0 0 410.514 4.699 50 0 HJAARN COc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc(C)c4)cc3)CC2=O)cc1 ZINC000001072387 557170561 /nfs/dbraw/zinc/17/05/61/557170561.db2.gz YYFAPOVAAHYHQH-GOSISDBHSA-N 0 0 416.477 4.788 50 0 HJAARN O=C(Nc1ccncc1)c1cc(-c2ccccn2)nc2ccc(Br)cc21 ZINC000001073793 557171553 /nfs/dbraw/zinc/17/15/53/557171553.db2.gz PTEUAFQEICGPLO-UHFFFAOYSA-N 0 0 405.255 4.707 50 0 HJAARN O=C(N[C@H](Oc1ccc(Br)cc1)C(Cl)(Cl)Cl)c1ccco1 ZINC000001103180 557179839 /nfs/dbraw/zinc/17/98/39/557179839.db2.gz ZGROPAWZMJIVSV-GFCCVEGCSA-N 0 0 413.482 4.547 50 0 HJAARN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)OCc1ccc(Br)cc1 ZINC000001113892 557185693 /nfs/dbraw/zinc/18/56/93/557185693.db2.gz QECUPWKFOJHUND-UHFFFAOYSA-N 0 0 421.678 4.829 50 0 HJAARN CC[C@H](C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1)c1ccccc1 ZINC000001115439 557186843 /nfs/dbraw/zinc/18/68/43/557186843.db2.gz GAGLMKAEEQVYED-QFIPXVFZSA-N 0 0 408.523 4.928 50 0 HJAARN O=C(Cn1cc(C(=O)c2ccccc2F)c2ccccc21)N1CCc2ccccc2C1 ZINC000001116745 557187747 /nfs/dbraw/zinc/18/77/47/557187747.db2.gz JFTIWJXCWBOALP-UHFFFAOYSA-N 0 0 412.464 4.596 50 0 HJAARN COc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000001119278 557189577 /nfs/dbraw/zinc/18/95/77/557189577.db2.gz RZMKNOHPGLBWNL-UHFFFAOYSA-N 0 0 423.325 4.622 50 0 HJAARN CCSc1nnc2c(n1)O[C@H](c1ccsc1)Nc1ccc(Br)cc1-2 ZINC000001119952 557190366 /nfs/dbraw/zinc/19/03/66/557190366.db2.gz AUADCAFDEDGQJE-CQSZACIVSA-N 0 0 421.345 4.978 50 0 HJAARN COc1ccc(C(C)C)cc1S(=O)(=O)NCCc1c(C)[nH]c2c1cccc2Cl ZINC000001120538 557190527 /nfs/dbraw/zinc/19/05/27/557190527.db2.gz OORWIOZCMSZJIE-UHFFFAOYSA-N 0 0 420.962 4.783 50 0 HJAARN Cc1[nH]c2ccccc2c1[C@]1(O)c2ccccc2N(Cc2ccc(Cl)cc2)C1=O ZINC000001132550 557199308 /nfs/dbraw/zinc/19/93/08/557199308.db2.gz KKPBHDWTGMMKQH-XMMPIXPASA-N 0 0 402.881 4.912 50 0 HJAARN Cc1ccccc1NC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1ccc(Cl)cc1 ZINC000001135140 557200875 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COc1ccccc1CCNC(=O)c1ccc(COc2ccc3c(c2)CCC3)cc1 ZINC000001144621 557206934 /nfs/dbraw/zinc/20/69/34/557206934.db2.gz JBMQMYZPSDHIGU-UHFFFAOYSA-N 0 0 401.506 4.735 50 0 HJAARN O=S(=O)(Nc1ccc(CSc2ccccc2)cc1)c1ccc2c(c1)OCCO2 ZINC000001146878 557208543 /nfs/dbraw/zinc/20/85/43/557208543.db2.gz DKAVWNBAASRBMS-UHFFFAOYSA-N 0 0 413.520 4.551 50 0 HJAARN Cc1c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2oc(=O)c1Cc1ccccc1 ZINC000001148614 557209693 /nfs/dbraw/zinc/20/96/93/557209693.db2.gz ZYNTYKGLRIQCAT-UHFFFAOYSA-N 0 0 417.436 4.849 50 0 HJAARN CCc1cc2c(cc1OCC(=O)OC)oc(C(F)(F)F)c(-c1ccc(F)cc1)c2=O ZINC000001154457 557212884 /nfs/dbraw/zinc/21/28/84/557212884.db2.gz ZIRHASKPOKMNBY-UHFFFAOYSA-N 0 0 424.346 4.732 50 0 HJAARN COc1cc(C(=O)Nc2cccc3ccccc32)c(Br)c(OC)c1OC ZINC000001159610 557217373 /nfs/dbraw/zinc/21/73/73/557217373.db2.gz KYWXMRXJBFKMTF-UHFFFAOYSA-N 0 0 416.271 4.880 50 0 HJAARN COc1ccc(-c2noc(COc3cc(C)c(Br)c(C)c3)n2)cc1OC ZINC000001159889 557217504 /nfs/dbraw/zinc/21/75/04/557217504.db2.gz 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CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc4ccccc4n3)s2)cc1 ZINC000002430471 557346658 /nfs/dbraw/zinc/34/66/58/557346658.db2.gz UJVUSJHDBKXPOK-UHFFFAOYSA-N 0 0 420.519 4.687 50 0 HJAARN COc1cc(-c2nnc3sc(-c4ccc(C(C)(C)C)cc4)nn32)cc(OC)c1OC ZINC000002427643 557346737 /nfs/dbraw/zinc/34/67/37/557346737.db2.gz PLMXHQBUQFAXPF-UHFFFAOYSA-N 0 0 424.526 4.843 50 0 HJAARN COc1ccc(Cc2nnc(SCC(=O)Nc3cccc4ccccc43)o2)cc1 ZINC000002436605 557347280 /nfs/dbraw/zinc/34/72/80/557347280.db2.gz CKGRYPGSPVSYGC-UHFFFAOYSA-N 0 0 405.479 4.553 50 0 HJAARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C(C)(C)C)cc2)N2C(=O)[C@@H](C)SC2=N1 ZINC000002463218 557350289 /nfs/dbraw/zinc/35/02/89/557350289.db2.gz BWTWZELDXYHCMO-KDOFPFPSSA-N 0 0 400.544 4.584 50 0 HJAARN O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2)N1CCCCC1 ZINC000002474756 557351155 /nfs/dbraw/zinc/35/11/55/557351155.db2.gz ONSKWKAYYPWGSK-HOCLYGCPSA-N 0 0 412.843 4.823 50 0 HJAARN CCCCOC(=O)c1c(N)n(-c2ccc(OCC)cc2)c2nc3ccccc3nc21 ZINC000002482489 557351390 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CSc1nnc2c(n1)O[C@H](c1ccc(Br)s1)Nc1ccccc1-2 ZINC000002738911 557375091 /nfs/dbraw/zinc/37/50/91/557375091.db2.gz LNPGBMDICZKMFI-CYBMUJFWSA-N 0 0 407.318 4.588 50 0 HJAARN CS(=O)(=O)c1ccc2nc(NC(=O)c3sc4ccccc4c3Cl)sc2c1 ZINC000002740509 557375425 /nfs/dbraw/zinc/37/54/25/557375425.db2.gz MPSDKENFQCNMTK-UHFFFAOYSA-N 0 0 422.940 4.820 50 0 HJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc3sccc3n2[C@@H](C)c2ccccc2)C1 ZINC000034680220 557381696 /nfs/dbraw/zinc/38/16/96/557381696.db2.gz RJONICNKGSEQBA-WMZOPIPTSA-N 0 0 410.539 4.727 50 0 HJAARN COc1cccc(-c2nc(-c3cccc(OCC(=O)c4ccc(F)cc4)c3)no2)c1 ZINC000034680487 557382189 /nfs/dbraw/zinc/38/21/89/557382189.db2.gz WOAPKFLPXSARES-UHFFFAOYSA-N 0 0 404.397 4.813 50 0 HJAARN COc1ccc(-c2nc(C(=O)Nc3c(C)nn(-c4ccccc4)c3C)cs2)cc1 ZINC000010541192 557388586 /nfs/dbraw/zinc/38/85/86/557388586.db2.gz WJKOLLCUUSJIHU-UHFFFAOYSA-N 0 0 404.495 4.874 50 0 HJAARN C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NCc1ccco1 ZINC000002798897 557389728 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O=C1c2ccccc2-c2nn(-c3ccccc3)c(=O)c3ccc(N4CCCCCC4)c1c32 ZINC000002956479 557430869 /nfs/dbraw/zinc/43/08/69/557430869.db2.gz HIVIYAXHVGCLPA-UHFFFAOYSA-N 0 0 421.500 4.978 50 0 HJAARN CCOc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CC)cc3s2)cc1 ZINC000002971241 557432838 /nfs/dbraw/zinc/43/28/38/557432838.db2.gz NGTXCPSHCXXBAF-UHFFFAOYSA-N 0 0 415.540 4.774 50 0 HJAARN CCCSc1nnc2c(n1)O[C@H](c1sccc1C)N(C(C)=O)c1ccccc1-2 ZINC000002978221 557433976 /nfs/dbraw/zinc/43/39/76/557433976.db2.gz QSNKVRIOQRXWPX-LJQANCHMSA-N 0 0 412.540 4.855 50 0 HJAARN CC(C)C(=O)Nc1ccc2oc(-c3cccc(I)c3)nc2c1 ZINC000002978368 557434260 /nfs/dbraw/zinc/43/42/60/557434260.db2.gz XCORGXZVSBOHGE-UHFFFAOYSA-N 0 0 406.223 4.694 50 0 HJAARN COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(F)c4)ccc3o2)cc1 ZINC000002979480 557434919 /nfs/dbraw/zinc/43/49/19/557434919.db2.gz YAWGEFSOCNWJQA-UHFFFAOYSA-N 0 0 421.453 4.769 50 0 HJAARN O=C(/C=C/c1cccc2ccccc12)NCCNC(=O)/C=C/c1cccc2ccccc12 ZINC000002985871 557436857 /nfs/dbraw/zinc/43/68/57/557436857.db2.gz 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557548024 /nfs/dbraw/zinc/54/80/24/557548024.db2.gz BKLSBBQWGJLDNI-XMMPIXPASA-N 0 0 412.537 4.554 50 0 HJAARN Cc1cc2nc3s/c(=C/c4ccc(-c5cccc(Cl)c5)o4)c(=O)n3c2cc1C ZINC000004482001 557558586 /nfs/dbraw/zinc/55/85/86/557558586.db2.gz JMNHPHREQOKHAF-RGVLZGJSSA-N 0 0 406.894 4.987 50 0 HJAARN CCCCN1c2ccc(Br)cc2[C@@](O)(c2c(C)[nH]c3ccccc32)C1=O ZINC000004553717 557566300 /nfs/dbraw/zinc/56/63/00/557566300.db2.gz OTIBOROKHUTHPL-OAQYLSRUSA-N 0 0 413.315 4.621 50 0 HJAARN Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3C)c3ccc(Cl)cc32)o1 ZINC000004553474 557566327 /nfs/dbraw/zinc/56/63/27/557566327.db2.gz RWYZKGFOJXFPET-QHCPKHFHSA-N 0 0 409.869 4.557 50 0 HJAARN C[C@@H](C(=O)c1ccccc1)[C@]1(O)c2cc(Cl)ccc2N(CCc2ccccc2)C1=O ZINC000004555233 557567251 /nfs/dbraw/zinc/56/72/51/557567251.db2.gz WVJYHISCQIDKMU-GKVSMKOHSA-N 0 0 419.908 4.636 50 0 HJAARN COC(=O)c1c(NC(=O)CCc2ccc(OC)cc2)sc2c1CCCCCC2 ZINC000004611512 557572175 /nfs/dbraw/zinc/57/21/75/557572175.db2.gz PTRLQILIVBNPMD-UHFFFAOYSA-N 0 0 401.528 4.774 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Ic1ccc(Oc2ccc(I)cc2)cc1 ZINC000004803940 557598939 /nfs/dbraw/zinc/59/89/39/557598939.db2.gz VHEGXFQQYZIMMF-UHFFFAOYSA-N 0 0 422.003 4.688 50 0 HJAARN O=c1c2ccccc2nc(/C=C/c2ccccn2)n1-c1ccc(Br)cc1 ZINC000004855826 557607014 /nfs/dbraw/zinc/60/70/14/557607014.db2.gz NOCHARYECOZHIM-JLHYYAGUSA-N 0 0 404.267 4.714 50 0 HJAARN FC(F)(F)c1nn(-c2nc(-c3cccs3)cc(C(F)(F)F)n2)c2c1CCC2 ZINC000004881468 557609748 /nfs/dbraw/zinc/60/97/48/557609748.db2.gz SUZNFVILRLDQHU-UHFFFAOYSA-N 0 0 404.339 4.917 50 0 HJAARN CCOc1ccc([C@H]2Cc3[nH]c(C(=O)OCCSCC)c(C)c3C(=O)C2)cc1 ZINC000004912607 557613069 /nfs/dbraw/zinc/61/30/69/557613069.db2.gz GQECYMYXSYLZIC-INIZCTEOSA-N 0 0 401.528 4.544 50 0 HJAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(I)ccc1Cl ZINC000004918961 557614252 /nfs/dbraw/zinc/61/42/52/557614252.db2.gz PKSKBWDGBQPGAO-UHFFFAOYSA-N 0 0 415.702 4.643 50 0 HJAARN O=C(N/C(=C/c1ccc(Br)cc1)c1nc2ccccc2[nH]1)c1ccco1 ZINC000004955469 557617135 /nfs/dbraw/zinc/61/71/35/557617135.db2.gz WAJNGSGMCOPHFS-SFQUDFHCSA-N 0 0 408.255 4.847 50 0 HJAARN Cc1ccc(-c2noc(CN(C(=O)COc3ccc(C(C)C)cc3)C(C)C)n2)cc1 ZINC000004958777 557617332 /nfs/dbraw/zinc/61/73/32/557617332.db2.gz SBBSDJZKSAZYSF-UHFFFAOYSA-N 0 0 407.514 4.984 50 0 HJAARN CCCOc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2OC)cc1 ZINC000004973303 557618689 /nfs/dbraw/zinc/61/86/89/557618689.db2.gz GHEYWFXGJOYETA-UHFFFAOYSA-N 0 0 403.438 4.940 50 0 HJAARN Cc1cc(C)cc(N([C@H](C)C(=O)Nc2c(C)cccc2C(C)C)S(C)(=O)=O)c1 ZINC000005051394 557630497 /nfs/dbraw/zinc/63/04/97/557630497.db2.gz KEBYWWOPLASTGT-GOSISDBHSA-N 0 0 402.560 4.528 50 0 HJAARN C[C@@H](NC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2)C(=O)Nc1ccc(F)cc1F ZINC000005073563 557634018 /nfs/dbraw/zinc/63/40/18/557634018.db2.gz VEILVRXYPMJDAB-NJXAFLLQSA-N 0 0 404.501 4.795 50 0 HJAARN CC1=C(C(=O)OCCCc2ccccc2)[C@@H](c2c(F)cccc2Cl)CC(=O)N1 ZINC000005091386 557634602 /nfs/dbraw/zinc/63/46/02/557634602.db2.gz JNTLLDXNFSOUMU-INIZCTEOSA-N 0 0 401.865 4.533 50 0 HJAARN Cc1ccc(-n2c(N)c(C(=O)OCc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000005100507 557635341 /nfs/dbraw/zinc/63/53/41/557635341.db2.gz GBRPYZVVEQLTSR-UHFFFAOYSA-N 0 0 408.461 4.821 50 0 HJAARN CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccc(C)cc1 ZINC000005296026 557643837 /nfs/dbraw/zinc/64/38/37/557643837.db2.gz KHKNEBBWOGZCMO-UHFFFAOYSA-N 0 0 400.935 4.966 50 0 HJAARN COc1ccc([C@@H]2CC(=O)c3cnc4c(-c5ccc(F)cc5)c(C)nn4c3C2)cc1 ZINC000005351742 557646530 /nfs/dbraw/zinc/64/65/30/557646530.db2.gz NCWVHMAMNWPEEY-KRWDZBQOSA-N 0 0 401.441 4.765 50 0 HJAARN CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)ccc1C ZINC000005478118 557656167 /nfs/dbraw/zinc/65/61/67/557656167.db2.gz GWUCKQQAIKZPPT-UHFFFAOYSA-N 0 0 416.934 4.570 50 0 HJAARN CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccc(OC)cc1 ZINC000005499579 557658237 /nfs/dbraw/zinc/65/82/37/557658237.db2.gz DXHFRYGCBFGGOU-UHFFFAOYSA-N 0 0 410.543 4.828 50 0 HJAARN O=C(Cc1ccccc1)NC(=S)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000005616746 557665503 /nfs/dbraw/zinc/66/55/03/557665503.db2.gz NNZKATDTVWBWBV-UHFFFAOYSA-N 0 0 405.454 4.690 50 0 HJAARN CCCCCC(=O)N[C@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000005792253 557674741 /nfs/dbraw/zinc/67/47/41/557674741.db2.gz CREPRYJGANIVOU-CYBMUJFWSA-N 0 0 414.761 4.505 50 0 HJAARN CCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000005792256 557674799 /nfs/dbraw/zinc/67/47/99/557674799.db2.gz CREPRYJGANIVOU-ZDUSSCGKSA-N 0 0 414.761 4.505 50 0 HJAARN O=C(NCc1ccccc1)C(=O)c1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000006659307 557712556 /nfs/dbraw/zinc/71/25/56/557712556.db2.gz WZYZFYQDAAJYFN-UHFFFAOYSA-N 0 0 402.881 4.842 50 0 HJAARN CN(Cc1ccccc1)C(=O)c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000006759418 557719708 /nfs/dbraw/zinc/71/97/08/557719708.db2.gz AMCVOTITKUZUKX-MOPGFXCFSA-N 0 0 414.431 4.816 50 0 HJAARN Clc1ccc(CCNc2nc3ccccc3c3nc(-c4cccnc4)nn32)cc1 ZINC000006805430 557722749 /nfs/dbraw/zinc/72/27/49/557722749.db2.gz NYDAAQATYZOMPS-UHFFFAOYSA-N 0 0 400.873 4.648 50 0 HJAARN Cc1ccccc1NC(=O)[C@H]1Sc2nnc(-c3ccccc3)n2NC12CCCCC2 ZINC000006811748 557722991 /nfs/dbraw/zinc/72/29/91/557722991.db2.gz OJNANKDKLALJAE-LJQANCHMSA-N 0 0 419.554 4.613 50 0 biogenic HJAARN CCc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 ZINC000006976877 557732108 /nfs/dbraw/zinc/73/21/08/557732108.db2.gz WIHAKLPYPJTFRX-UHFFFAOYSA-N 0 0 415.522 4.623 50 0 HJAARN CCOc1ccc(-n2c(CSc3ncccn3)nnc2S[C@@H](C)CC)cc1 ZINC000002706125 557743755 /nfs/dbraw/zinc/74/37/55/557743755.db2.gz QOTRRFYOKNYMPP-AWEZNQCLSA-N 0 0 401.561 4.639 50 0 HJAARN CCCCSc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(OC)cc1 ZINC000002706308 557743847 /nfs/dbraw/zinc/74/38/47/557743847.db2.gz DQZLXVLNKRCJBD-UHFFFAOYSA-N 0 0 415.588 4.867 50 0 HJAARN Cc1ccc(S(=O)(=O)c2c(C(=O)c3ccccc3)cnc3ccccc32)cc1C ZINC000002713719 557748803 /nfs/dbraw/zinc/74/88/03/557748803.db2.gz FCPTWGPZQJQJGN-UHFFFAOYSA-N 0 0 401.487 4.915 50 0 HJAARN CCC[C@@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3OC)c2C(N)=O)C1 ZINC000002762758 557755815 /nfs/dbraw/zinc/75/58/15/557755815.db2.gz IPYLBHBEZHYORA-LLVKDONJSA-N 0 0 406.935 4.666 50 0 HJAARN CCOC(=O)c1c(-c2ccco2)csc1NC(=O)c1cc2ccccc2oc1=O ZINC000002763941 557756252 /nfs/dbraw/zinc/75/62/52/557756252.db2.gz WMCJNJLQSFFRPU-UHFFFAOYSA-N 0 0 409.419 4.544 50 0 HJAARN CC(=O)c1ccc(NC(=O)c2ccccc2C(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000002751569 557757771 /nfs/dbraw/zinc/75/77/71/557757771.db2.gz UKRFTOXXTCAVLX-UHFFFAOYSA-N 0 0 400.434 4.596 50 0 HJAARN C[C@@H]1CCc2c(sc3ncn4nc(Cn5nc(C(F)F)cc5C(F)F)nc4c23)C1 ZINC000002789553 557759496 /nfs/dbraw/zinc/75/94/96/557759496.db2.gz QCOCTVUTAKLGPX-MRVPVSSYSA-N 0 0 424.427 4.584 50 0 HJAARN Cc1nc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)sc1C(=O)N(C)C ZINC000002772592 557760679 /nfs/dbraw/zinc/76/06/79/557760679.db2.gz ZMHNJHWZNGCHAT-UHFFFAOYSA-N 0 0 414.339 4.927 50 0 HJAARN Cc1nn(C)c(-c2nc3c4c5c(sc4ncn3n2)C[C@H](C(C)(C)C)CC5)c1Cl ZINC000002797874 557761954 /nfs/dbraw/zinc/76/19/54/557761954.db2.gz ORNOHAKKEKVCDE-LLVKDONJSA-N 0 0 414.966 4.852 50 0 HJAARN COC(=O)c1c(=O)n(Cc2ccc(C)cc2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000002890001 557768368 /nfs/dbraw/zinc/76/83/68/557768368.db2.gz KGALMVAOSCGLCI-UHFFFAOYSA-N 0 0 410.473 4.721 50 0 HJAARN CCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccs1)C(C(=O)OC(C)C)=C(C)N2 ZINC000007990966 557769164 /nfs/dbraw/zinc/76/91/64/557769164.db2.gz NZTPJXGGQNNADT-HNNXBMFYSA-N 0 0 419.572 4.507 50 0 HJAARN COc1cc(Cl)c(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)cc1OC ZINC000010591361 557772069 /nfs/dbraw/zinc/77/20/69/557772069.db2.gz BCPFSEJNWCGUNJ-UHFFFAOYSA-N 0 0 406.866 4.957 50 0 HJAARN COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccccc3Cl)ns2)c1 ZINC000002925012 557772498 /nfs/dbraw/zinc/77/24/98/557772498.db2.gz ZPWRTGDKOWRURJ-UHFFFAOYSA-N 0 0 421.931 4.607 50 0 HJAARN Cc1ccc(-n2cnnc2SCC(=O)N[C@@H](c2cccs2)C(C)C)cc1Cl ZINC000010601032 557773415 /nfs/dbraw/zinc/77/34/15/557773415.db2.gz IONNQDQYASJLSZ-GOSISDBHSA-N 0 0 420.991 4.896 50 0 HJAARN CCc1cccc(/N=c2\oc3c(cccc3OC)cc2C(=O)Nc2nccs2)c1 ZINC000002951392 557774721 /nfs/dbraw/zinc/77/47/21/557774721.db2.gz JNUWFSNIGVAWBC-FLFQWRMESA-N 0 0 405.479 4.945 50 0 HJAARN O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)Nc1cccnc1Cl ZINC000008435649 557788975 /nfs/dbraw/zinc/78/89/75/557788975.db2.gz PGIMUXZPNHJQAO-UHFFFAOYSA-N 0 0 424.835 4.942 50 0 HJAARN CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc3c(c2)OCO3)N1c1ccccc1 ZINC000008448810 557790475 /nfs/dbraw/zinc/79/04/75/557790475.db2.gz XFBAPSGNWAAXCA-HSZRJFAPSA-N 0 0 419.868 4.997 50 0 HJAARN COc1cc(C(=O)Oc2ccc3c(Br)cccc3c2)cc(OC)c1OC ZINC000008453372 557791268 /nfs/dbraw/zinc/79/12/68/557791268.db2.gz OGLSLUYPTCACQS-UHFFFAOYSA-N 0 0 417.255 4.847 50 0 HJAARN CC(C)CCN1C(=O)N(c2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccc(Cl)cc1 ZINC000008583833 557795859 /nfs/dbraw/zinc/79/58/59/557795859.db2.gz KZXZMGZJISEZME-LJQANCHMSA-N 0 0 413.905 4.552 50 0 HJAARN Cc1nn(-c2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)c(C)c1Br ZINC000008592963 557796166 /nfs/dbraw/zinc/79/61/66/557796166.db2.gz KYFYKZHAVHCZRO-UHFFFAOYSA-N 0 0 415.188 4.867 50 0 HJAARN CCc1sc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc1-c1ccccc1 ZINC000008782428 557808402 /nfs/dbraw/zinc/80/84/02/557808402.db2.gz LIPVIPQZZNZGIR-HNNXBMFYSA-N 0 0 409.486 4.503 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1CCc1nn2c(nnc2-c2cccc(F)c2)s1 ZINC000008990264 557817478 /nfs/dbraw/zinc/81/74/78/557817478.db2.gz KMXPOGOSJOSREU-UHFFFAOYSA-N 0 0 418.501 4.580 50 0 HJAARN C[C@H](Cc1nnc(NC(=O)Cc2ccc(Br)cc2)s1)c1ccccc1 ZINC000009095431 557823532 /nfs/dbraw/zinc/82/35/32/557823532.db2.gz NSGZIUIJUHLYFP-CYBMUJFWSA-N 0 0 416.344 4.828 50 0 HJAARN Cc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2cccc(Cl)c2)s1 ZINC000009215862 557829609 /nfs/dbraw/zinc/82/96/09/557829609.db2.gz CZTFWTCUIZVOJJ-KRWDZBQOSA-N 0 0 423.881 4.665 50 0 HJAARN O=C(CSc1ncn(-c2ccccc2)n1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000009235814 557831451 /nfs/dbraw/zinc/83/14/51/557831451.db2.gz GTJUELAIVWTAIG-UHFFFAOYSA-N 0 0 412.824 4.670 50 0 HJAARN COCc1nn2c(ncc3c2C[C@@H](c2cccs2)CC3=O)c1-c1ccc(OC)cc1 ZINC000009290269 557834850 /nfs/dbraw/zinc/83/48/50/557834850.db2.gz ZXSRYWMVULJJLJ-OAHLLOKOSA-N 0 0 419.506 4.526 50 0 HJAARN CCc1nc2sc([C@@H](c3ccc(C(F)(F)F)cc3)[NH+]3CCC(C)CC3)c([O-])n2n1 ZINC000022853347 557840220 /nfs/dbraw/zinc/84/02/20/557840220.db2.gz CPRUHYJUCXVLLU-MRXNPFEDSA-N 0 0 424.492 4.899 50 0 HJAARN O=C(Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O)c1ccc(Br)cc1 ZINC000009600589 557846818 /nfs/dbraw/zinc/84/68/18/557846818.db2.gz HQBLBUKUSSXKBL-UHFFFAOYSA-N 0 0 421.250 4.502 50 0 HJAARN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1ccc2c(c1)OCO2 ZINC000010039118 557854552 /nfs/dbraw/zinc/85/45/52/557854552.db2.gz ZKBIBBKNUMQKBT-UHFFFAOYSA-N 0 0 422.444 4.863 50 0 HJAARN CCOc1ccc2nc(NC(=O)c3cc(Cl)c(NC(C)=O)cc3OC)sc2c1 ZINC000010060207 557854814 /nfs/dbraw/zinc/85/48/14/557854814.db2.gz JIDPFCCXKDJUDD-UHFFFAOYSA-N 0 0 419.890 4.568 50 0 HJAARN COc1cc(-c2nc3cc(NC(=O)c4cccc(F)c4)ccc3o2)cc(OC)c1OC ZINC000010120162 557855862 /nfs/dbraw/zinc/85/58/62/557855862.db2.gz KLFHNVYPZRTUOF-UHFFFAOYSA-N 0 0 422.412 4.912 50 0 HJAARN CCOc1c(Cl)cc(C[NH2+][C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1Cl ZINC000010475469 558258194 /nfs/dbraw/zinc/25/81/94/558258194.db2.gz KLKPJMSGAWODEM-SFHVURJKSA-N 0 0 407.297 4.659 50 0 HJAARN c1ccc(Oc2ccc(Nc3nc(N4CCCC4)nc(N4CCCC4)n3)cc2)cc1 ZINC000004331142 558262794 /nfs/dbraw/zinc/26/27/94/558262794.db2.gz UUGOZAXDZJFKLO-UHFFFAOYSA-N 0 0 402.502 4.608 50 0 HJAARN O=C(CC(F)(F)F)N1CCC[C@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000011662005 558265898 /nfs/dbraw/zinc/26/58/98/558265898.db2.gz BOZXMDLBXLEZFH-INIZCTEOSA-N 0 0 408.395 4.622 50 0 HJAARN COc1ccc(N[C@@H]2CCCN(C(=O)c3cccc4c(C)c(C)[nH]c43)C2)cc1OC ZINC000011665320 558268736 /nfs/dbraw/zinc/26/87/36/558268736.db2.gz RNWABHNNZFCURA-GOSISDBHSA-N 0 0 407.514 4.519 50 0 HJAARN Cc1ccc(C)c(OCCn2c3ccccc3nc2[C@@H](C)NC(=O)c2ccco2)c1 ZINC000011667250 558269147 /nfs/dbraw/zinc/26/91/47/558269147.db2.gz OOGLKBQXCRLTDW-GOSISDBHSA-N 0 0 403.482 4.816 50 0 HJAARN CC[C@@H](NC(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)c1ccncc1 ZINC000011667844 558269866 /nfs/dbraw/zinc/26/98/66/558269866.db2.gz JLQAITWHOQGZIK-LJQANCHMSA-N 0 0 424.932 4.788 50 0 HJAARN O=C(c1ccccc1)[C@@H]1CCCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000011717587 558271769 /nfs/dbraw/zinc/27/17/69/558271769.db2.gz BJNIYUKNFMKNOY-QGZVFWFLSA-N 0 0 415.415 4.850 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)c2ccccc2C)C1 ZINC000011816524 558279856 /nfs/dbraw/zinc/27/98/56/558279856.db2.gz AKAAUBGFJQNVHF-QGZVFWFLSA-N 0 0 414.933 4.928 50 0 HJAARN O=C(c1cccc2ccccc21)N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000019790090 558282247 /nfs/dbraw/zinc/28/22/47/558282247.db2.gz LLYYRYHJKSUIQN-UHFFFAOYSA-N 0 0 409.327 4.560 50 0 HJAARN O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1c[nH]nc1C1CCCCC1 ZINC000011819221 558282438 /nfs/dbraw/zinc/28/24/38/558282438.db2.gz KCUXWQXWCOFSBD-LJQANCHMSA-N 0 0 407.493 4.590 50 0 HJAARN CC(C)(C)c1ccc(-c2nn(CN3CCOCC3)c(=S)n2-c2ccccc2)cc1 ZINC000019797679 558284770 /nfs/dbraw/zinc/28/47/70/558284770.db2.gz NKMOADREEOTFLW-UHFFFAOYSA-N 0 0 408.571 4.657 50 0 HJAARN COc1ccc(NC(=O)CC[C@@H]2CCCN(Cc3csc(C(C)=O)c3)C2)c(C)c1 ZINC000011843292 558288143 /nfs/dbraw/zinc/28/81/43/558288143.db2.gz LIGPIGKMHAGGFC-SFHVURJKSA-N 0 0 414.571 4.899 50 0 HJAARN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3F)nnc2-c2cccnc2)cc1 ZINC000019823470 558291049 /nfs/dbraw/zinc/29/10/49/558291049.db2.gz LBUYRSHLDZSWBH-UHFFFAOYSA-N 0 0 419.485 4.508 50 0 HJAARN Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NC(=O)CCC(=O)c2ccccc2)c1 ZINC000011874062 558291736 /nfs/dbraw/zinc/29/17/36/558291736.db2.gz OFLDZNCNOAECII-QFIPXVFZSA-N 0 0 401.510 4.646 50 0 HJAARN O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCN(C(=O)c2cn3ccsc3n2)C1 ZINC000011935390 558299449 /nfs/dbraw/zinc/29/94/49/558299449.db2.gz CCQSKSBONXKBEC-FQEVSTJZSA-N 0 0 415.518 4.798 50 0 HJAARN COc1ccc(-n2ccnc2CN2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)cc1 ZINC000011935985 558300035 /nfs/dbraw/zinc/30/00/35/558300035.db2.gz AJBANASYLGTBAX-LJQANCHMSA-N 0 0 421.566 4.698 50 0 HJAARN Cc1cccc(OCC(=O)N2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)c1 ZINC000019889204 558302531 /nfs/dbraw/zinc/30/25/31/558302531.db2.gz YXABUMPOTNTBOV-UHFFFAOYSA-N 0 0 416.521 4.511 50 0 HJAARN O[C@H](COc1ccc(-c2ccccc2)cc1)CN1CCN(c2ccccc2Cl)CC1 ZINC000019909398 558306391 /nfs/dbraw/zinc/30/63/91/558306391.db2.gz IWQJMRBOMOJZJC-QFIPXVFZSA-N 0 0 422.956 4.569 50 0 HJAARN O=C1S/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1CN1CCCCC1 ZINC000019911696 558306576 /nfs/dbraw/zinc/30/65/76/558306576.db2.gz MIEUGUIQMWTOAG-RCCKNPSSSA-N 0 0 408.523 4.745 50 0 HJAARN CCCCN(Cc1ccccc1)C(=O)c1cn(Cc2ccc(F)cc2Cl)nn1 ZINC000011999552 558307770 /nfs/dbraw/zinc/30/77/70/558307770.db2.gz JDKASBKGQUOZGB-UHFFFAOYSA-N 0 0 400.885 4.561 50 0 HJAARN Cc1nc2ccc(C(=O)N3CCC[C@H](C(=O)c4ccc(Cl)cc4)C3)cc2nc1C ZINC000012000499 558308069 /nfs/dbraw/zinc/30/80/69/558308069.db2.gz CIOQYVDYJNYWED-SFHVURJKSA-N 0 0 407.901 4.635 50 0 HJAARN CC(C)c1csc(CN2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)n1 ZINC000012000136 558308139 /nfs/dbraw/zinc/30/81/39/558308139.db2.gz DCSUAZBNECOHOS-MRXNPFEDSA-N 0 0 421.557 4.853 50 0 HJAARN COc1ccccc1-n1ccc2c(cnc3c(-c4cccc(Cl)c4)c(C)nn32)c1=O ZINC000019962568 558316059 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O=C(CN1C(=O)CSc2ccccc21)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000021531154 558440599 /nfs/dbraw/zinc/44/05/99/558440599.db2.gz CFTFDRHQHLWPGF-UHFFFAOYSA-N 0 0 415.474 4.572 50 0 HJAARN Cn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000012631071 558441830 /nfs/dbraw/zinc/44/18/30/558441830.db2.gz MAMRPUWTIIJACC-UHFFFAOYSA-N 0 0 422.941 4.943 50 0 HJAARN COc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCc2ccccc2)CC1=O ZINC000012637146 558442972 /nfs/dbraw/zinc/44/29/72/558442972.db2.gz KWJBCDUPLBTVMR-FQEVSTJZSA-N 0 0 411.505 4.808 50 0 HJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000072058559 558443535 /nfs/dbraw/zinc/44/35/35/558443535.db2.gz UXDFFQLISYHZSJ-JOCHJYFZSA-N 0 0 400.482 4.733 50 0 HJAARN Cc1ccc(-c2nsc(NC(=O)c3cc(=O)c4cc(Cl)ccc4o3)n2)s1 ZINC000021659735 558444694 /nfs/dbraw/zinc/44/46/94/558444694.db2.gz KBWPTHDZTMAKCJ-UHFFFAOYSA-N 0 0 403.872 4.587 50 0 HJAARN CCCCN(CC(=O)Nc1ncc(C)s1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000004356606 558444912 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CC(=O)c1sc(NC(=O)c2ccccc2OC[C@H]2CCCO2)nc1-c1ccccc1 ZINC000021843553 558451933 /nfs/dbraw/zinc/45/19/33/558451933.db2.gz ORCAEIWDNYSJSV-QGZVFWFLSA-N 0 0 422.506 4.823 50 0 HJAARN COc1ccccc1CCC(=O)N1CCC[C@@H](C(=O)c2cccc3ccccc32)C1 ZINC000012711079 558452387 /nfs/dbraw/zinc/45/23/87/558452387.db2.gz DYNFBKNRFSNWNN-OAQYLSRUSA-N 0 0 401.506 4.903 50 0 HJAARN COc1ccc(OC)c(Nc2nc3c(cnn3C)c(Nc3cccc(Cl)c3)n2)c1 ZINC000021873505 558453319 /nfs/dbraw/zinc/45/33/19/558453319.db2.gz JWBJORYYVUORRP-UHFFFAOYSA-N 0 0 410.865 4.521 50 0 HJAARN CN(CCC1CCOCC1)C(=O)c1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 ZINC000012716166 558455509 /nfs/dbraw/zinc/45/55/09/558455509.db2.gz DXUDEHZAMDXFNX-UHFFFAOYSA-N 0 0 412.917 4.961 50 0 HJAARN O=C(N[C@@H]1CCc2ccccc21)c1cc(COc2cccc(C(F)(F)F)c2)on1 ZINC000012744946 558457912 /nfs/dbraw/zinc/45/79/12/558457912.db2.gz AJZQHPSWWBWZHA-GOSISDBHSA-N 0 0 402.372 4.690 50 0 HJAARN COCCc1nc2ccc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)cc2o1 ZINC000012755451 558460081 /nfs/dbraw/zinc/46/00/81/558460081.db2.gz PJPPUUWKZSRTLD-KRWDZBQOSA-N 0 0 407.495 4.604 50 0 HJAARN O=C(Nc1ccc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1)c1cccs1 ZINC000010819894 558462915 /nfs/dbraw/zinc/46/29/15/558462915.db2.gz CKLLWNHOGMOOIA-UHFFFAOYSA-N 0 0 418.518 4.736 50 0 HJAARN Cc1ccc(-c2nc(C(=O)N3CCCN(C)c4nc5ccccc5nc43)cs2)cc1 ZINC000012784266 558463000 /nfs/dbraw/zinc/46/30/00/558463000.db2.gz RFYBSPFLIJJQMG-UHFFFAOYSA-N 0 0 415.522 4.548 50 0 HJAARN CCc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccco2)cc1 ZINC000012780602 558463012 /nfs/dbraw/zinc/46/30/12/558463012.db2.gz VCUJDSYYVTWSBC-MRXNPFEDSA-N 0 0 418.522 4.907 50 0 HJAARN Cc1cc(C(=O)CCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c(C)s1 ZINC000022131971 558464238 /nfs/dbraw/zinc/46/42/38/558464238.db2.gz DCFFCJQZUSCVNZ-IBGZPJMESA-N 0 0 413.539 4.853 50 0 HJAARN O=S(=O)(c1ccc(Cl)cc1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000012788930 558464336 /nfs/dbraw/zinc/46/43/36/558464336.db2.gz KYMDRBKOJDYQKI-UHFFFAOYSA-N 0 0 421.927 4.568 50 0 HJAARN O=C(NCC1(c2ccccc2)CCCC1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000010824383 558464992 /nfs/dbraw/zinc/46/49/92/558464992.db2.gz AKSWXVAZEZDAMR-UHFFFAOYSA-N 0 0 403.526 4.672 50 0 HJAARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2C2=Cc3ccccc3OC2)c(OC)c1 ZINC000022195831 558466059 /nfs/dbraw/zinc/46/60/59/558466059.db2.gz FCUSYUWQJPQGNS-XMMPIXPASA-N 0 0 414.461 4.578 50 0 HJAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000012793096 558466940 /nfs/dbraw/zinc/46/69/40/558466940.db2.gz MYRZGCJLENQFRC-QGZVFWFLSA-N 0 0 400.935 4.941 50 0 HJAARN CN(Cc1ccc(Cl)cc1)C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000022226921 558467064 /nfs/dbraw/zinc/46/70/64/558467064.db2.gz XAISBPFTCCOHKV-UHFFFAOYSA-N 0 0 411.855 4.629 50 0 HJAARN COc1cc(C(=O)N2CC[C@H](C)Sc3ccccc32)cc(OC)c1Br ZINC000012793385 558467120 /nfs/dbraw/zinc/46/71/20/558467120.db2.gz UDTFMEPDVSAZBV-LBPRGKRZSA-N 0 0 422.344 4.997 50 0 HJAARN O=C1CCCN1CCCNc1cc(-c2nc3ccccc3s2)c2ccccc2n1 ZINC000012799489 558471270 /nfs/dbraw/zinc/47/12/70/558471270.db2.gz GZKMYHBGNHFCJT-UHFFFAOYSA-N 0 0 402.523 4.936 50 0 HJAARN Cc1ccc2c(C)c(CCC(=O)N[C@@H]3CCSc4ccc(F)cc43)c(=O)oc2c1 ZINC000012857918 558480751 /nfs/dbraw/zinc/48/07/51/558480751.db2.gz TTXVCNKPULBJCM-LJQANCHMSA-N 0 0 411.498 4.835 50 0 HJAARN COc1ccccc1OCCn1c(Cc2ccc(OC)c(OC)c2)nc2ccccc21 ZINC000004385582 558482844 /nfs/dbraw/zinc/48/28/44/558482844.db2.gz UMMLEECCCVZDJC-UHFFFAOYSA-N 0 0 418.493 4.732 50 0 HJAARN CC(C)(C)N1C[C@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CC1=O ZINC000004386044 558483703 /nfs/dbraw/zinc/48/37/03/558483703.db2.gz VOASJAFOCIRSDJ-MRXNPFEDSA-N 0 0 411.933 4.883 50 0 HJAARN CSCc1nnc(SCC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)o1 ZINC000012944728 558487921 /nfs/dbraw/zinc/48/79/21/558487921.db2.gz LFQJCUGMQSGDHK-GOSISDBHSA-N 0 0 419.959 4.584 50 0 HJAARN CCc1ccccc1NC(=O)CN(C)C(=O)c1sc(-c2ccc(F)cc2)nc1C ZINC000012979302 558492753 /nfs/dbraw/zinc/49/27/53/558492753.db2.gz KGSKFHRTUSKRJK-UHFFFAOYSA-N 0 0 411.502 4.531 50 0 HJAARN O=S(=O)(c1cccc(Br)c1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000012983713 558494334 /nfs/dbraw/zinc/49/43/34/558494334.db2.gz TZAKZHUZQBPFCA-OAHLLOKOSA-N 0 0 423.357 4.585 50 0 HJAARN COc1ccc(-c2nc(CC(=O)N(C)Cc3ccccc3Cl)cs2)cc1OC ZINC000012986635 558495464 /nfs/dbraw/zinc/49/54/64/558495464.db2.gz JJVFGDRBFVJOKZ-UHFFFAOYSA-N 0 0 416.930 4.682 50 0 HJAARN O=C(COCc1nc2ccccc2s1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000022527792 558496137 /nfs/dbraw/zinc/49/61/37/558496137.db2.gz XQCZZKLHPCPAAK-UHFFFAOYSA-N 0 0 410.495 4.883 50 0 HJAARN C[C@H]1CCCN(Cc2csc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)n2)C1 ZINC000012993732 558497736 /nfs/dbraw/zinc/49/77/36/558497736.db2.gz WJGXDBIQFJJFOR-AWEZNQCLSA-N 0 0 407.967 4.825 50 0 HJAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cc(C)ccc3F)C2)c2ccccc12 ZINC000012994478 558497964 /nfs/dbraw/zinc/49/79/64/558497964.db2.gz QWQACYSLQNLBKT-KRWDZBQOSA-N 0 0 420.484 4.787 50 0 HJAARN CC(C)c1nnc(S[C@@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)n1C1CC1 ZINC000012995661 558498581 /nfs/dbraw/zinc/49/85/81/558498581.db2.gz GGFJFVSTLZMBOT-KRWDZBQOSA-N 0 0 412.603 4.698 50 0 HJAARN CCc1nc2sc(C(=O)NCc3ccccc3OC(F)(F)F)c(C)c2c(C)n1 ZINC000022611536 558502171 /nfs/dbraw/zinc/50/21/71/558502171.db2.gz DUOTYBSWMDRZHC-UHFFFAOYSA-N 0 0 409.433 4.699 50 0 HJAARN CCCn1ccnc1SCC(=O)Nc1scc(-c2ccco2)c1C(=O)OCC ZINC000022617303 558502751 /nfs/dbraw/zinc/50/27/51/558502751.db2.gz DXIAYSWYUMGBAH-UHFFFAOYSA-N 0 0 419.528 4.522 50 0 HJAARN COc1ccc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)c(OC)c1 ZINC000013028789 558505056 /nfs/dbraw/zinc/50/50/56/558505056.db2.gz HHNORALOUUKKDA-UHFFFAOYSA-N 0 0 424.522 4.521 50 0 HJAARN CCOc1c(Cl)cc(/C=C2\N=C(c3ccccc3OC(F)F)OC2=O)cc1OC ZINC000013072621 558511843 /nfs/dbraw/zinc/51/18/43/558511843.db2.gz DHWBWGBHSKEIGL-ZROIWOOFSA-N 0 0 423.799 4.693 50 0 HJAARN O=C(c1ccc(Cl)cc1)N1CCCC[C@H](Sc2ncnc3sccc32)C1=O ZINC000013114726 558515845 /nfs/dbraw/zinc/51/58/45/558515845.db2.gz AIHNAHGBUNNRHP-HNNXBMFYSA-N 0 0 417.943 4.658 50 0 HJAARN Clc1snnc1CSc1nnc(COc2ccccc2Cl)n1C1CC1 ZINC000013121070 558517321 /nfs/dbraw/zinc/51/73/21/558517321.db2.gz QVPACNNJMQNHCF-UHFFFAOYSA-N 0 0 414.343 4.643 50 0 HJAARN Cc1ccc(Cc2cnc(NC(=O)[C@H]3CC(=O)Nc4ccccc43)s2)cc1Cl ZINC000022867082 558517780 /nfs/dbraw/zinc/51/77/80/558517780.db2.gz JYRQYDKJYOQRRF-INIZCTEOSA-N 0 0 411.914 4.760 50 0 HJAARN COc1cc([C@H]2S[C@H](C)C(=O)N2CCc2ccccc2)cc(OC)c1OC(F)F ZINC000013133946 558520570 /nfs/dbraw/zinc/52/05/70/558520570.db2.gz UDBQLGBBBVRTSZ-ZUOKHONESA-N 0 0 423.481 4.510 50 0 HJAARN CCCc1nc2oc3c(ncnc3NCc3cccnc3)c2c2c1COC(C)(C)C2 ZINC000013207156 558525490 /nfs/dbraw/zinc/52/54/90/558525490.db2.gz IWBAXUZLEFNYMY-UHFFFAOYSA-N 0 0 403.486 4.582 50 0 HJAARN O=C(NCc1cccnc1)c1cc2cc(C34CC5CC(CC(C5)C3)C4)ccc2oc1=O ZINC000004418032 558528125 /nfs/dbraw/zinc/52/81/25/558528125.db2.gz ODBWAAORUQJEQU-UHFFFAOYSA-N 0 0 414.505 4.586 50 0 HJAARN COC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccccc2C(C)C)c(Br)c1 ZINC000023074366 558533030 /nfs/dbraw/zinc/53/30/30/558533030.db2.gz SGQWGYJFTMRJNW-CYBMUJFWSA-N 0 0 420.303 4.765 50 0 HJAARN Cc1cc(C)cc(OCCCOc2ccc(Cl)cc2/C=C2\SC(=N)NC2=O)c1 ZINC000023128377 558536244 /nfs/dbraw/zinc/53/62/44/558536244.db2.gz ROHIABGYWAKCCK-UNOMPAQXSA-N 0 0 416.930 4.943 50 0 HJAARN COc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4)=NN32)cc1OC ZINC000013550874 558538948 /nfs/dbraw/zinc/53/89/48/558538948.db2.gz SKJILRQZZQXYPF-CPJSRVTESA-N 0 0 416.477 4.955 50 0 HJAARN Cc1ccc2nc(COc3ccc(C(=O)N4CC[C@@H]5CCCC[C@H]5C4)cc3)cn2c1 ZINC000023233248 558544046 /nfs/dbraw/zinc/54/40/46/558544046.db2.gz ZNKUVEYZUAZQOY-FPOVZHCZSA-N 0 0 403.526 4.874 50 0 HJAARN CN1c2ccccc2[C@@]2(Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)C1=O ZINC000004426608 558544206 /nfs/dbraw/zinc/54/42/06/558544206.db2.gz YBNVITVFXHUKTR-XUZZJYLKSA-N 0 0 415.880 4.713 50 0 HJAARN CC1(C)C[C@]2(CCO1)Oc1ccc(Br)cc1[C@H]1CC(c3ccco3)=NN12 ZINC000013584683 558545715 /nfs/dbraw/zinc/54/57/15/558545715.db2.gz PRQJSYYZSIZUMQ-UZLBHIALSA-N 0 0 417.303 4.871 50 0 HJAARN CCn1cc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(F)c(OC)c2)c(C)n1 ZINC000013595700 558547067 /nfs/dbraw/zinc/54/70/67/558547067.db2.gz DPXMBHSCQSNZNF-RUZDIDTESA-N 0 0 418.516 4.988 50 0 HJAARN Cc1ccc(N(Cc2ccco2)C(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000023298969 558548364 /nfs/dbraw/zinc/54/83/64/558548364.db2.gz BULNEWNKKKSRMB-UHFFFAOYSA-N 0 0 408.523 4.735 50 0 HJAARN COc1ccc([C@@H]2CC(=O)c3cnc4c(-c5ccccc5)c(C)nn4c3C2)c(OC)c1 ZINC000013628182 558551578 /nfs/dbraw/zinc/55/15/78/558551578.db2.gz KWYJQTHJILLJRJ-KRWDZBQOSA-N 0 0 413.477 4.635 50 0 HJAARN COc1ccccc1NC(=O)c1noc(C)c1COc1cccc(C(F)(F)F)c1 ZINC000013640920 558555470 /nfs/dbraw/zinc/55/54/70/558555470.db2.gz USHLORZXPKJVER-UHFFFAOYSA-N 0 0 406.360 4.842 50 0 HJAARN Cc1ccc(NC(=O)C[C@@H]2C(=O)N(C3CCCCC3)c3nc4ccccc4n32)cc1 ZINC000023382317 558555726 /nfs/dbraw/zinc/55/57/26/558555726.db2.gz LUQJPLZYTKISTN-OAQYLSRUSA-N 0 0 402.498 4.594 50 0 HJAARN O=C(Nc1ccc(-n2cc(Cl)cn2)cc1)c1cc2nccc(-c3cccs3)n2n1 ZINC000013643960 558556191 /nfs/dbraw/zinc/55/61/91/558556191.db2.gz QOMAHHWCCFUOEX-UHFFFAOYSA-N 0 0 420.885 4.549 50 0 HJAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000010903469 558556691 /nfs/dbraw/zinc/55/66/91/558556691.db2.gz YALHCGIGRPOBCD-UHFFFAOYSA-N 0 0 411.933 4.675 50 0 HJAARN CC(=O)c1cccc(Oc2ccc3nnc(-c4ccc(Br)cc4)n3n2)c1 ZINC000013690243 558572329 /nfs/dbraw/zinc/57/23/29/558572329.db2.gz XBHNXGMENDPFEC-UHFFFAOYSA-N 0 0 409.243 4.549 50 0 HJAARN O=c1[nH]c(CN2CCC[C@H](c3nc4ccccc4s3)C2)nc2cc(Cl)ccc12 ZINC000023883278 558580298 /nfs/dbraw/zinc/58/02/98/558580298.db2.gz HKTFMEMFOZGTTJ-ZDUSSCGKSA-N 0 0 410.930 4.566 50 0 HJAARN Cc1cc(N2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)nc2ccccc12 ZINC000013727579 558584984 /nfs/dbraw/zinc/58/49/84/558584984.db2.gz AZXPZBQZAANVLJ-UHFFFAOYSA-N 0 0 412.537 4.696 50 0 HJAARN CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC=C1N=C(c2ccco2)OC1=O ZINC000013775154 558592302 /nfs/dbraw/zinc/59/23/02/558592302.db2.gz DJCJGWRKBJJGHG-LFIBNONCSA-N 0 0 422.462 4.750 50 0 HJAARN CC(C)Cn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1ccccc1F ZINC000004469195 558594162 /nfs/dbraw/zinc/59/41/62/558594162.db2.gz DPAFCYHTVDQVNV-YJBOKZPZSA-N 0 0 404.555 4.527 50 0 HJAARN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)Nc1cccc(Cl)c1 ZINC000013803960 558595010 /nfs/dbraw/zinc/59/50/10/558595010.db2.gz DFFMIJJSTIKFPO-UHFFFAOYSA-N 0 0 424.913 4.971 50 0 HJAARN COc1ccc([C@H](NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C(C)C)cc1 ZINC000024334782 558595146 /nfs/dbraw/zinc/59/51/46/558595146.db2.gz XIBPNSCQFUOAOJ-HXUWFJFHSA-N 0 0 421.994 4.635 50 0 HJAARN COc1cn(-c2ccccc2)nc1C(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000024393223 558596888 /nfs/dbraw/zinc/59/68/88/558596888.db2.gz CYKAQFOZBBMFJW-OAQYLSRUSA-N 0 0 405.498 4.647 50 0 HJAARN CCOc1ccc(N2C(=O)CS[C@]23c2cccc4c2N(C3=O)C(C)(C)C[C@H]4C)cc1 ZINC000013839832 558597217 /nfs/dbraw/zinc/59/72/17/558597217.db2.gz MCAJWMACMHPGPO-MYYSRTQBSA-N 0 0 422.550 4.651 50 0 HJAARN COc1ccc2cc(CN(C)Cn3nc(-c4ccoc4C)n(C)c3=S)ccc2c1 ZINC000024452589 558598127 /nfs/dbraw/zinc/59/81/27/558598127.db2.gz PGNHBMUJZHCLKX-UHFFFAOYSA-N 0 0 408.527 4.771 50 0 HJAARN COc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)c(OC)c2)cc1Cl ZINC000004487831 558601199 /nfs/dbraw/zinc/60/11/99/558601199.db2.gz LXMKHIJDIKKNIF-UHFFFAOYSA-N 0 0 416.886 4.923 50 0 HJAARN CCc1cccc(C)c1NC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O ZINC000024607685 558603137 /nfs/dbraw/zinc/60/31/37/558603137.db2.gz VXGRTKOKJUCTGU-UHFFFAOYSA-N 0 0 424.497 4.511 50 0 HJAARN Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)NCc1ccccc1 ZINC000013955547 558607655 /nfs/dbraw/zinc/60/76/55/558607655.db2.gz RPGFOHPOQKMTBW-AREMUKBSSA-N 0 0 423.516 4.728 50 0 HJAARN Cn1cnnc1C1CCN(C(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000024694525 558607827 /nfs/dbraw/zinc/60/78/27/558607827.db2.gz RHSDJNSJVCKGKH-UHFFFAOYSA-N 0 0 414.431 4.521 50 0 HJAARN CN(C)c1ccc(-c2nnc3sc(COc4ccc5ccccc5c4)nn32)cc1 ZINC000013956991 558607778 /nfs/dbraw/zinc/60/77/78/558607778.db2.gz ACAUVLMASQWQGF-UHFFFAOYSA-N 0 0 401.495 4.651 50 0 HJAARN C[C@@H](c1ccccc1)n1c(=O)c2ccccc2nc1SCc1nccn1C(F)F ZINC000024718536 558608861 /nfs/dbraw/zinc/60/88/61/558608861.db2.gz KYMXEESCDCAIHJ-AWEZNQCLSA-N 0 0 412.465 4.890 50 0 HJAARN COc1ccc(-c2csc(NC(=O)CSc3ccc(F)cc3)n2)c(OC)c1 ZINC000004496745 558611031 /nfs/dbraw/zinc/61/10/31/558611031.db2.gz ITYUPNHLJGILIG-UHFFFAOYSA-N 0 0 404.488 4.697 50 0 HJAARN CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 ZINC000004498585 558612305 /nfs/dbraw/zinc/61/23/05/558612305.db2.gz OZAVTLCKKSIOPZ-PGMHBOJBSA-N 0 0 406.551 4.998 50 0 HJAARN CCOc1cc(C=O)cc(Br)c1OCCOc1cc(C)cc(CC)c1 ZINC000004502105 558615446 /nfs/dbraw/zinc/61/54/46/558615446.db2.gz NHPMJXZRPAUISZ-UHFFFAOYSA-N 0 0 407.304 4.989 50 0 HJAARN CCCCc1noc(CSc2nnc(-c3cccnc3)n2-c2ccccc2C)n1 ZINC000024836842 558616253 /nfs/dbraw/zinc/61/62/53/558616253.db2.gz CIRVNYVBZKOTPD-UHFFFAOYSA-N 0 0 406.515 4.656 50 0 HJAARN CN(C)S(=O)(=O)c1cccc(CSc2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000014076943 558618016 /nfs/dbraw/zinc/61/80/16/558618016.db2.gz FKZPLUQJTAJDKP-UHFFFAOYSA-N 0 0 409.882 4.901 50 0 HJAARN O=C(NCc1ccccc1)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1Cl ZINC000004507421 558621589 /nfs/dbraw/zinc/62/15/89/558621589.db2.gz YJJCILLVGAAMRU-DRVYGDGFSA-N 0 0 416.908 4.984 50 0 HJAARN Cc1cc(Br)ccc1SCC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000014125759 558623088 /nfs/dbraw/zinc/62/30/88/558623088.db2.gz PWYNWARNJYXPHK-UHFFFAOYSA-N 0 0 408.317 4.650 50 0 HJAARN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2)n1)Nc1ccccc1C(F)(F)F ZINC000014137182 558624321 /nfs/dbraw/zinc/62/43/21/558624321.db2.gz FVKJOMLSZHAQRA-UHFFFAOYSA-N 0 0 412.824 4.875 50 0 HJAARN CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)c1 ZINC000025053621 558629046 /nfs/dbraw/zinc/62/90/46/558629046.db2.gz FBIJGLXFLAPNDR-UHFFFAOYSA-N 0 0 410.905 4.822 50 0 HJAARN C[C@@H](NC(=O)Cc1csc(NC(=O)c2cccs2)n1)c1ccccc1Cl ZINC000014184494 558629824 /nfs/dbraw/zinc/62/98/24/558629824.db2.gz LOLQBIRQGSCRTH-LLVKDONJSA-N 0 0 405.932 4.530 50 0 HJAARN COc1ccc(S(=O)(=O)NCCSCc2cccc(C)c2)c(Cl)c1Cl ZINC000014186311 558631029 /nfs/dbraw/zinc/63/10/29/558631029.db2.gz HQNPCJPDQUWSMA-UHFFFAOYSA-N 0 0 420.383 4.522 50 0 HJAARN CN1CCN(C(=O)c2ccc(C3SCCCS3)cc2)c2nc3ccccc3nc21 ZINC000025091351 558631315 /nfs/dbraw/zinc/63/13/15/558631315.db2.gz BLFFGMPSXDXJMK-UHFFFAOYSA-N 0 0 422.579 4.595 50 0 HJAARN Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2C)n1-c1ccccc1 ZINC000004513945 558631696 /nfs/dbraw/zinc/63/16/96/558631696.db2.gz KQAGMJFFVHUCAO-UHFFFAOYSA-N 0 0 404.495 4.875 50 0 HJAARN O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCC[C@H]1Cc1ccccc1 ZINC000025173841 558633657 /nfs/dbraw/zinc/63/36/57/558633657.db2.gz SAUUZQJNCJNSLZ-FQEVSTJZSA-N 0 0 417.475 4.551 50 0 HJAARN CCOc1ccc([C@H](C)NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)cc1 ZINC000010979152 558635747 /nfs/dbraw/zinc/63/57/47/558635747.db2.gz DDOMHLMQJKUTOM-INIZCTEOSA-N 0 0 416.525 4.708 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CSc1ccc2c(c1)CCC2 ZINC000025250158 558635916 /nfs/dbraw/zinc/63/59/16/558635916.db2.gz OUQQVTFJPHPNEH-UHFFFAOYSA-N 0 0 405.567 4.729 50 0 HJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)c1ccc(F)c(F)c1 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/nfs/dbraw/zinc/67/94/24/558679424.db2.gz LDBFEBSDTBEOLX-OAQYLSRUSA-N 0 0 400.950 4.679 50 0 HJAARN COc1ccccc1NC(=O)Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21 ZINC000027694296 558680269 /nfs/dbraw/zinc/68/02/69/558680269.db2.gz CYUKZXHUYKWADG-UHFFFAOYSA-N 0 0 405.885 4.928 50 0 HJAARN COc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1C ZINC000027740843 558680762 /nfs/dbraw/zinc/68/07/62/558680762.db2.gz DUSGFXAIFCFGGB-AWEZNQCLSA-N 0 0 415.877 4.730 50 0 HJAARN COc1ccc(-c2nc(CN(C)[C@@H](C)c3ccc4c(c3)OCCO4)c(C)o2)c(OC)c1 ZINC000014957147 558682650 /nfs/dbraw/zinc/68/26/50/558682650.db2.gz DMFDXQYHMJNTHQ-HNNXBMFYSA-N 0 0 424.497 4.631 50 0 HJAARN O=C(c1cc(=O)c2ccccc2o1)N(Cc1cccc2ccccc21)C[C@H]1CCCO1 ZINC000027990645 558688217 /nfs/dbraw/zinc/68/82/17/558688217.db2.gz HJHDKQPYRBZARR-HXUWFJFHSA-N 0 0 413.473 4.768 50 0 HJAARN COc1ccc(-c2nc(CCNC(=O)COc3ccc(Cl)c(C)c3)cs2)cc1 ZINC000027993717 558688710 /nfs/dbraw/zinc/68/87/10/558688710.db2.gz MDGPMTGPJXCAJC-UHFFFAOYSA-N 0 0 416.930 4.518 50 0 HJAARN CC[C@@H](NC(=O)c1c(=O)cc(C)n(CCc2ccccc2OC)c1C)c1cccs1 ZINC000014974550 558688876 /nfs/dbraw/zinc/68/88/76/558688876.db2.gz OQABPXXKEMNWOY-LJQANCHMSA-N 0 0 424.566 4.659 50 0 HJAARN Cc1nn(C[C@@H](O)Cn2c(C)c(C)c3cccc(Cl)c32)c(C)c1Br ZINC000011027324 558691583 /nfs/dbraw/zinc/69/15/83/558691583.db2.gz VRIUSDFCVHWIPP-AWEZNQCLSA-N 0 0 410.743 4.548 50 0 HJAARN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)CC2CCCC2)C3)s1 ZINC000014988452 558693492 /nfs/dbraw/zinc/69/34/92/558693492.db2.gz OBYSTOHWQMHRTC-QGZVFWFLSA-N 0 0 401.503 4.757 50 0 HJAARN COc1ccc(-c2nc(CCNC(=O)COc3cc(C)ccc3C(C)C)cs2)cc1 ZINC000028288513 558695402 /nfs/dbraw/zinc/69/54/02/558695402.db2.gz QCBBWSWEOPAVGK-UHFFFAOYSA-N 0 0 424.566 4.988 50 0 HJAARN CCOc1ccc(C(=O)N(Cc2ccc(Br)o2)c2ccccn2)cc1 ZINC000028288838 558695764 /nfs/dbraw/zinc/69/57/64/558695764.db2.gz AMWAEVCQYADNTJ-UHFFFAOYSA-N 0 0 401.260 4.683 50 0 HJAARN COc1ccccc1O[C@@H](C)C(=O)N(Cc1ccc(F)cc1Cl)c1ccccn1 ZINC000028293605 558698541 /nfs/dbraw/zinc/69/85/41/558698541.db2.gz CBBNTDQMDOYFQK-HNNXBMFYSA-N 0 0 414.864 4.883 50 0 HJAARN COc1cc(Cl)c(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC ZINC000015010555 558700119 /nfs/dbraw/zinc/70/01/19/558700119.db2.gz SPHVSWLOECAFJD-IUXPMGMMSA-N 0 0 407.850 4.733 50 0 HJAARN CCN(CC)C(=O)c1cccc(NC(=O)c2ccccc2OCc2c(C)noc2C)c1 ZINC000028429778 558700908 /nfs/dbraw/zinc/70/09/08/558700908.db2.gz VPSOCVQDYGPCED-UHFFFAOYSA-N 0 0 421.497 4.605 50 0 HJAARN COc1ccc(NC(=O)CN(Cc2ccccc2F)c2ccccc2F)c(OC)c1 ZINC000072275079 558701402 /nfs/dbraw/zinc/70/14/02/558701402.db2.gz STSDBYPOPYGADT-UHFFFAOYSA-N 0 0 412.436 4.627 50 0 HJAARN COc1ccc(Br)cc1/C=C1\C(=O)Nc2ccc(Br)cc21 ZINC000015016117 558701779 /nfs/dbraw/zinc/70/17/79/558701779.db2.gz DHAZADOCYBAZEV-QPEQYQDCSA-N 0 0 409.077 4.713 50 0 HJAARN CC(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)s1 ZINC000015063339 558706007 /nfs/dbraw/zinc/70/60/07/558706007.db2.gz IXXIQPOHBZWBRK-GOSISDBHSA-N 0 0 417.530 4.938 50 0 HJAARN Cn1ccnc1[C@H](NC(=O)NCCCSc1ccccc1)c1ccc(Cl)cc1 ZINC000029728308 558719373 /nfs/dbraw/zinc/71/93/73/558719373.db2.gz AGHDKDMDCOJLCH-LJQANCHMSA-N 0 0 414.962 4.645 50 0 HJAARN Cc1ccc(CN2c3ccccc3[C@](O)(CC(=O)c3c(C)cc(C)cc3C)C2=O)cc1 ZINC000004555155 558719533 /nfs/dbraw/zinc/71/95/33/558719533.db2.gz PZPLPJWLMPSFDT-HHHXNRCGSA-N 0 0 413.517 4.928 50 0 HJAARN C[C@H](Sc1nnc(N2CCCCC2)n1-c1ccccc1)c1nc(-c2ccco2)no1 ZINC000029740026 558719721 /nfs/dbraw/zinc/71/97/21/558719721.db2.gz SQDFWHUXTKRPKP-HNNXBMFYSA-N 0 0 422.514 4.754 50 0 HJAARN COc1ccc(OC)c(CCC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)c1 ZINC000029840443 558722292 /nfs/dbraw/zinc/72/22/92/558722292.db2.gz HSGAMTASOFFVAR-DEOSSOPVSA-N 0 0 401.506 4.811 50 0 HJAARN Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2 ZINC000015106734 558723131 /nfs/dbraw/zinc/72/31/31/558723131.db2.gz HFZQJEUZZRYAJL-OAHLLOKOSA-N 0 0 424.453 4.651 50 0 HJAARN CN1c2ccccc2Oc2cc(Cl)c(C(=O)Nc3ccccc3)cc2S1(=O)=O ZINC000015109638 558723658 /nfs/dbraw/zinc/72/36/58/558723658.db2.gz JAMQJPNEQBUVAO-UHFFFAOYSA-N 0 0 414.870 4.523 50 0 HJAARN CCCc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000004555248 558724078 /nfs/dbraw/zinc/72/40/78/558724078.db2.gz NDKMNJNLMSHQMB-HHHXNRCGSA-N 0 0 413.517 4.955 50 0 HJAARN CC(C)c1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3cccc(F)c3)C2=O)cc1 ZINC000004555375 558724279 /nfs/dbraw/zinc/72/42/79/558724279.db2.gz CHDFRFJFQCCGKU-SANMLTNESA-N 0 0 417.480 4.957 50 0 HJAARN Cc1ccc(C)c(CN2c3ccccc3[C@](O)(CC(=O)c3cc(C)ccc3C)C2=O)c1 ZINC000004556284 558725568 /nfs/dbraw/zinc/72/55/68/558725568.db2.gz KNFNRNMYIYLUHP-HHHXNRCGSA-N 0 0 413.517 4.928 50 0 HJAARN O=c1[nH]ncc(N2CCN(Cc3ccc(-c4cccc(Cl)c4)s3)CC2)c1Cl ZINC000030520145 558731531 /nfs/dbraw/zinc/73/15/31/558731531.db2.gz UTNJNEMIWYIROC-UHFFFAOYSA-N 0 0 421.353 4.540 50 0 HJAARN Cc1ccccc1C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3o2)c(O)c1 ZINC000004562406 558732474 /nfs/dbraw/zinc/73/24/74/558732474.db2.gz IOIAYKZIBJSLSA-UHFFFAOYSA-N 0 0 403.463 4.636 50 0 HJAARN c1ccc2c(c1)nc(C1CC1)nc2SC[C@@H]1CSc2nnc(-c3cccnc3)n21 ZINC000030572474 558733046 /nfs/dbraw/zinc/73/30/46/558733046.db2.gz BAGVPPWRFNCLPX-OAHLLOKOSA-N 0 0 418.551 4.600 50 0 HJAARN CC(C)c1cc([C@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4cc(O)ccc4[nH]c32)cc(C(C)C)c1O ZINC000015414527 558738940 /nfs/dbraw/zinc/73/89/40/558738940.db2.gz TXQSZBSNCHVKCA-NHCUHLMSSA-N 0 0 408.498 4.514 50 0 HJAARN O=C(Cc1cnn(-c2ccccc2)c1)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000032900155 558741995 /nfs/dbraw/zinc/74/19/95/558741995.db2.gz FMVGCQAHZLVSFS-DEOSSOPVSA-N 0 0 420.516 4.844 50 0 HJAARN Cc1ccc(-c2nc(CCNS(=O)(=O)c3c(C)cc(C)cc3C)cs2)cc1 ZINC000004570674 558743088 /nfs/dbraw/zinc/74/30/88/558743088.db2.gz BSFNXLBNFZGDBT-UHFFFAOYSA-N 0 0 400.569 4.565 50 0 HJAARN CCOc1ccc(C(=O)NCCc2csc(-c3cccc(C)c3)n2)cc1OCC ZINC000004570804 558743130 /nfs/dbraw/zinc/74/31/30/558743130.db2.gz SSGFDMWAYLFHSK-UHFFFAOYSA-N 0 0 410.539 4.888 50 0 HJAARN CCCCCCOc1ccc(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1 ZINC000030909803 558744453 /nfs/dbraw/zinc/74/44/53/558744453.db2.gz VUHHPUUOHVKJRR-UHFFFAOYSA-N 0 0 422.569 4.814 50 0 HJAARN O=C(CSCc1nc2ccccc2[nH]1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000015589896 558745441 /nfs/dbraw/zinc/74/54/41/558745441.db2.gz CMKCDYCQNHGMCY-KRWDZBQOSA-N 0 0 408.552 4.770 50 0 HJAARN Cc1ccc(CN(C(=O)c2cc(=O)c3cc(Cl)ccc3o2)c2ccccn2)cc1 ZINC000015669875 558748071 /nfs/dbraw/zinc/74/80/71/558748071.db2.gz GBIWSIDOQMCRBK-UHFFFAOYSA-N 0 0 404.853 4.997 50 0 HJAARN CC/C(=C/C(=O)Nc1cccc(NC(=O)[C@H](C)n2cccn2)c1)c1ccc(C)cc1 ZINC000072295288 558748076 /nfs/dbraw/zinc/74/80/76/558748076.db2.gz JVLVOXCQIOSZIG-SWVCQTRFSA-N 0 0 402.498 4.823 50 0 HJAARN C[C@H]1Cc2ccccc2N1C(=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 ZINC000072295234 558748294 /nfs/dbraw/zinc/74/82/94/558748294.db2.gz UJDXNCUAXCBRRZ-AWEZNQCLSA-N 0 0 422.326 4.715 50 0 HJAARN Cc1ccccc1NC(=O)Cc1ccc(NC(=O)N2CCSc3ncccc32)cc1 ZINC000015725631 558750521 /nfs/dbraw/zinc/75/05/21/558750521.db2.gz REZSDJCAYDVAPM-UHFFFAOYSA-N 0 0 418.522 4.715 50 0 HJAARN C[C@@H]1C[C@@H](NC(=O)N[C@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)CC(C)(C)C1 ZINC000004575085 558750746 /nfs/dbraw/zinc/75/07/46/558750746.db2.gz PPVGAUHXBGNDKD-AJLCLMPTSA-N 0 0 406.832 4.841 50 0 HJAARN COc1ccccc1C(=O)N/C(=C/C=C/c1ccccc1)C(=O)Nc1ccc(C)cc1 ZINC000015767449 558751870 /nfs/dbraw/zinc/75/18/70/558751870.db2.gz JTRLNQCWQWZPIK-GXCIIUSESA-N 0 0 412.489 4.969 50 0 HJAARN O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Br)cc1)C2(c1ccccc1)c1ccccc1 ZINC000015800129 558753760 /nfs/dbraw/zinc/75/37/60/558753760.db2.gz AQSINEGQWJAWBY-BGYRXZFFSA-N 0 0 418.290 4.555 50 0 HJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000046223004 558756030 /nfs/dbraw/zinc/75/60/30/558756030.db2.gz GPTUECWHSRTXMS-UHFFFAOYSA-N 0 0 415.808 4.651 50 0 HJAARN CCn1nc(SCc2ccccc2)n2c1nc1c(c2=O)C(C)(C)Cc2ccccc2-1 ZINC000015839450 558756444 /nfs/dbraw/zinc/75/64/44/558756444.db2.gz XJOWOFQEBCZMLX-UHFFFAOYSA-N 0 0 416.550 4.704 50 0 HJAARN Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)N2CCCCC2)o1 ZINC000015860447 558758196 /nfs/dbraw/zinc/75/81/96/558758196.db2.gz VSTQCSRLMJGXMD-LJQANCHMSA-N 0 0 413.905 4.853 50 0 HJAARN CC(=O)N1c2ccccc2-c2nnc(SCC(C)C)nc2O[C@H]1c1cccc(F)c1 ZINC000032997417 558758642 /nfs/dbraw/zinc/75/86/42/558758642.db2.gz GBICZECWRYBFKI-NRFANRHFSA-N 0 0 424.501 4.870 50 0 HJAARN CCC(=O)N1c2ccc(Cl)cc2-c2nnc(SC)nc2O[C@H]1c1ccc(C)o1 ZINC000032998111 558759054 /nfs/dbraw/zinc/75/90/54/558759054.db2.gz NZPZEOSVAOXKLY-SFHVURJKSA-N 0 0 416.890 4.650 50 0 HJAARN CSc1nnc2c(n1)O[C@@H](c1ccc(C)cc1)N(C(C)=O)c1ccc(Cl)cc1-2 ZINC000032998221 558759261 /nfs/dbraw/zinc/75/92/61/558759261.db2.gz FYJTUCBVKKQMLL-IBGZPJMESA-N 0 0 412.902 4.666 50 0 HJAARN CCc1cc(Sc2ccc(NC(=O)c3ccccc3Cl)cc2)n2ncnc2n1 ZINC000033114874 558761066 /nfs/dbraw/zinc/76/10/66/558761066.db2.gz KBDMUGNIKACPMO-UHFFFAOYSA-N 0 0 409.902 4.744 50 0 HJAARN CCCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2)CC1 ZINC000033115560 558761868 /nfs/dbraw/zinc/76/18/68/558761868.db2.gz ZRHCHIDEPPZHQX-UHFFFAOYSA-N 0 0 414.571 4.559 50 0 HJAARN CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)Nc2nnc(C3CC3)s2)C1 ZINC000072305825 558762311 /nfs/dbraw/zinc/76/23/11/558762311.db2.gz DAWQSNDAAXOPDY-HNNXBMFYSA-N 0 0 410.547 4.758 50 0 HJAARN CCc1onc(C)c1[C@@H]1CCCN1C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000033270675 558763659 /nfs/dbraw/zinc/76/36/59/558763659.db2.gz RLDHFJRQCCUIBP-AWEZNQCLSA-N 0 0 417.531 4.641 50 0 HJAARN C[C@](O)(CNC(=O)c1ccccc1Nc1ccc(OC(F)F)cc1)c1ccsc1 ZINC000072306594 558763772 /nfs/dbraw/zinc/76/37/72/558763772.db2.gz CXOIYULKIRRHLE-NRFANRHFSA-N 0 0 418.465 4.731 50 0 HJAARN CSCC[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1nnc2ccccn21 ZINC000015973019 558764918 /nfs/dbraw/zinc/76/49/18/558764918.db2.gz BIVBJFKWTWKWQH-IQIBNGDESA-N 0 0 421.353 4.660 50 0 HJAARN O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000016046591 558770314 /nfs/dbraw/zinc/77/03/14/558770314.db2.gz VAQXZAXXBZPHJJ-JOCHJYFZSA-N 0 0 423.925 4.747 50 0 HJAARN CN(CCOc1ccccc1Cl)C(=O)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000016175670 558775329 /nfs/dbraw/zinc/77/53/29/558775329.db2.gz SQICJTWSFXWPIT-UHFFFAOYSA-N 0 0 404.894 4.838 50 0 HJAARN Cc1ccccc1NC(=O)c1c(N)c(C(=O)c2ccc(Cl)cc2)n2ccccc12 ZINC000004585207 558775517 /nfs/dbraw/zinc/77/55/17/558775517.db2.gz WRIILXFWVKLIKE-UHFFFAOYSA-N 0 0 403.869 4.967 50 0 HJAARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000004585440 558776153 /nfs/dbraw/zinc/77/61/53/558776153.db2.gz VWOJRPFBSBSSKG-UHFFFAOYSA-N 0 0 403.869 4.908 50 0 HJAARN CC(C)c1ccc(CN(C)C(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1 ZINC000016204547 558778340 /nfs/dbraw/zinc/77/83/40/558778340.db2.gz XCNGOANWERMTSQ-UHFFFAOYSA-N 0 0 423.582 4.509 50 0 HJAARN COc1ccc2c(c1)C(N1CCN(C(=O)CC(C)(C)C)CC1)=Nc1ccc(C)cc1O2 ZINC000034813341 558784394 /nfs/dbraw/zinc/78/43/94/558784394.db2.gz IASCVPPDNSUHCS-UHFFFAOYSA-N 0 0 421.541 4.768 50 0 HJAARN C[C@@H](NC(=O)CCC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000004588136 558786880 /nfs/dbraw/zinc/78/68/80/558786880.db2.gz VBDCJUGKEMKKLI-LJQANCHMSA-N 0 0 402.494 4.862 50 0 HJAARN CC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)c1 ZINC000016349747 558787687 /nfs/dbraw/zinc/78/76/87/558787687.db2.gz SXWATULIPZMKRL-UHFFFAOYSA-N 0 0 422.506 4.559 50 0 HJAARN O=C1OC(c2ccccc2Br)=N/C1=C\c1ccc(Br)cc1 ZINC000004589110 558788885 /nfs/dbraw/zinc/78/88/85/558788885.db2.gz YRIIFYWHMUBURX-ZROIWOOFSA-N 0 0 407.061 4.556 50 0 HJAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1ccc(Br)s1 ZINC000016400627 558789941 /nfs/dbraw/zinc/78/99/41/558789941.db2.gz WXFQNUIKMIAPHY-UHFFFAOYSA-N 0 0 416.318 4.512 50 0 HJAARN CCCc1cc([C@@H]2CCCN2C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)no1 ZINC000035511449 558793093 /nfs/dbraw/zinc/79/30/93/558793093.db2.gz UMPGYIDLFOQYSU-INIZCTEOSA-N 0 0 417.531 4.723 50 0 HJAARN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C(=O)NCC ZINC000035978520 558796222 /nfs/dbraw/zinc/79/62/22/558796222.db2.gz SZQXMARMSQOUAX-UHFFFAOYSA-N 0 0 422.529 4.923 50 0 HJAARN COc1cccc(S(=O)(=O)N(Cc2cccc(F)c2)c2ccc(C)c(F)c2)c1 ZINC000036248284 558798747 /nfs/dbraw/zinc/79/87/47/558798747.db2.gz QALCDRGWHGPPMD-UHFFFAOYSA-N 0 0 403.450 4.677 50 0 HJAARN COc1cccc(N([C@@H](C)c2ccc(C)cc2)S(=O)(=O)c2cccc(OC)c2)c1 ZINC000036248638 558798793 /nfs/dbraw/zinc/79/87/93/558798793.db2.gz HJPXRGZXEKEASE-SFHVURJKSA-N 0 0 411.523 4.969 50 0 HJAARN C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)c(Cl)c3)c2C(N)=O)C1 ZINC000016676414 558798773 /nfs/dbraw/zinc/79/87/73/558798773.db2.gz MGWTUDJZJNCGFX-LJJSCBMDSA-N 0 0 409.338 4.931 50 0 HJAARN O=c1[nH]c(Nc2ccc(Oc3ccccc3)cc2)nc2nccc(-c3cccnc3)c21 ZINC000036353676 558799294 /nfs/dbraw/zinc/79/92/94/558799294.db2.gz HGOWZQBPRHEOLU-UHFFFAOYSA-N 0 0 407.433 4.916 50 0 HJAARN C[C@@H](NCC(=O)N(Cc1ccco1)CC(F)(F)F)c1ccc(Cl)cc1Cl ZINC000016695472 558800978 /nfs/dbraw/zinc/80/09/78/558800978.db2.gz JULYADSVHVHNSX-LLVKDONJSA-N 0 0 409.235 4.828 50 0 HJAARN CNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@@H]1c1cccc(C)c1 ZINC000032977652 558803422 /nfs/dbraw/zinc/80/34/22/558803422.db2.gz BGKLPVUEGNWOLT-QHCPKHFHSA-N 0 0 411.509 4.524 50 0 HJAARN CC(C)CCNC(=O)[C@@]1(C)CCc2ccccc2C(=O)N1Cc1cccc(Cl)c1 ZINC000032977876 558803443 /nfs/dbraw/zinc/80/34/43/558803443.db2.gz PKHLHQDNMVWQIV-XMMPIXPASA-N 0 0 412.961 4.850 50 0 HJAARN CCCCC1CCC(C(=O)N(Cc2ccc(CC)cc2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000016741753 558803742 /nfs/dbraw/zinc/80/37/42/558803742.db2.gz LVTGEOAXZUBMMW-SDVLMSEASA-N 0 0 419.631 4.761 50 0 HJAARN CC(C)c1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(F)c2)s1 ZINC000016742538 558804228 /nfs/dbraw/zinc/80/42/28/558804228.db2.gz ZNWRMDGGWILNQQ-KRWDZBQOSA-N 0 0 421.453 4.657 50 0 HJAARN COP(=O)(OC)c1nc(Cc2ccc(Cl)cc2)oc1NCc1ccc(C)cc1 ZINC000016751423 558804893 /nfs/dbraw/zinc/80/48/93/558804893.db2.gz QHXDWFOTHJCUJB-UHFFFAOYSA-N 0 0 420.833 4.951 50 0 HJAARN O=C(NCc1ccc(F)cc1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983863 558804938 /nfs/dbraw/zinc/80/49/38/558804938.db2.gz JZSBRYJNWPTSTC-MTJSOVHGSA-N 0 0 422.843 4.781 50 0 HJAARN O=C(NCCc1ccccc1)c1ccc2c(c1)NC(=O)/C(=C/c1cccc(Cl)c1)O2 ZINC000032983960 558804940 /nfs/dbraw/zinc/80/49/40/558804940.db2.gz PBLNFDOPIZJDBW-HMAPJEAMSA-N 0 0 418.880 4.685 50 0 HJAARN COP(=O)(OC)c1nc(Cc2ccccc2)oc1NCc1ccccc1Cl ZINC000016751755 558805002 /nfs/dbraw/zinc/80/50/02/558805002.db2.gz YDXSGYDUKATUDW-UHFFFAOYSA-N 0 0 406.806 4.642 50 0 HJAARN COc1cccc(CNC(=O)COc2cc(-c3ccc(C)cc3)nc3ccccc32)c1 ZINC000032985886 558806232 /nfs/dbraw/zinc/80/62/32/558806232.db2.gz RXRMSCITNDZLFJ-UHFFFAOYSA-N 0 0 412.489 4.914 50 0 HJAARN CCc1ccc(-c2cc3c(SCC(=O)Nc4ccc(OC)cc4)nccn3n2)cc1 ZINC000016841619 558808186 /nfs/dbraw/zinc/80/81/86/558808186.db2.gz KGYGJFGDGKIKDS-UHFFFAOYSA-N 0 0 418.522 4.698 50 0 HJAARN CCc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4C)nccn3n2)cc1 ZINC000016841608 558808205 /nfs/dbraw/zinc/80/82/05/558808205.db2.gz PLUKUSBFBMOBPU-UHFFFAOYSA-N 0 0 402.523 4.998 50 0 HJAARN CCc1ccc(-c2cc3c(SCC(=O)Nc4cccc(OC)c4)nccn3n2)cc1 ZINC000016841617 558808243 /nfs/dbraw/zinc/80/82/43/558808243.db2.gz TXRKYAJIUVNZQF-UHFFFAOYSA-N 0 0 418.522 4.698 50 0 HJAARN CC(C)(C)c1ccc(-c2noc(CNC(=O)c3ccccc3Br)n2)cc1 ZINC000013495054 558808262 /nfs/dbraw/zinc/80/82/62/558808262.db2.gz LEDXONBOYZHKKX-UHFFFAOYSA-N 0 0 414.303 4.727 50 0 HJAARN CCc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4F)nccn3n2)cc1 ZINC000016841627 558808277 /nfs/dbraw/zinc/80/82/77/558808277.db2.gz MDBBKAKDQFOBAJ-UHFFFAOYSA-N 0 0 406.486 4.829 50 0 HJAARN COc1ccc(C)cc1NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000016884651 558808755 /nfs/dbraw/zinc/80/87/55/558808755.db2.gz LJQNXZHKBHLBMZ-UHFFFAOYSA-N 0 0 402.494 4.648 50 0 HJAARN COc1ccccc1CNC(=O)c1cc(-c2ccncc2)nc2c(Cl)cccc12 ZINC000037867436 558809475 /nfs/dbraw/zinc/80/94/75/558809475.db2.gz GTHGXBWLZRDARV-UHFFFAOYSA-N 0 0 403.869 4.889 50 0 HJAARN CCCc1c(C)nc2ncnn2c1Sc1ccccc1NC(=O)c1cccs1 ZINC000032995853 558810396 /nfs/dbraw/zinc/81/03/96/558810396.db2.gz ZSXKNMZZWHEIBC-UHFFFAOYSA-N 0 0 409.540 4.850 50 0 HJAARN Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)c3c(F)cccc3F)cc2)n1 ZINC000017013187 558811671 /nfs/dbraw/zinc/81/16/71/558811671.db2.gz MAZQJOAMHLBSHU-UHFFFAOYSA-N 0 0 409.440 4.659 50 0 HJAARN Cc1cc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)n2C)cs1 ZINC000017089502 558818185 /nfs/dbraw/zinc/81/81/85/558818185.db2.gz AAXISFKVCLTCOK-UHFFFAOYSA-N 0 0 413.355 4.890 50 0 HJAARN CCc1ccccc1NC(=O)Nc1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000017090393 558819019 /nfs/dbraw/zinc/81/90/19/558819019.db2.gz GAOWDHBRGNSRRQ-IRXDYDNUSA-N 0 0 415.559 4.845 50 0 HJAARN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cc3ccccc3o2)c1 ZINC000017161249 558824382 /nfs/dbraw/zinc/82/43/82/558824382.db2.gz USBDPVWBGBNIEH-UHFFFAOYSA-N 0 0 401.875 4.562 50 0 aggregator HJAARN CCOc1ccc(NC(=O)CN2c3ccccc3S[C@@H](c3ccco3)CC2=O)cc1 ZINC000017307832 558826819 /nfs/dbraw/zinc/82/68/19/558826819.db2.gz CMDRWPZARZZCGJ-OAQYLSRUSA-N 0 0 422.506 4.887 50 0 HJAARN CCCCc1c(C)nn(-c2nc(CC(=O)Nc3ccccc3OCC)cs2)c1C ZINC000033004543 558827172 /nfs/dbraw/zinc/82/71/72/558827172.db2.gz FKKVNSXPOUTJNG-UHFFFAOYSA-N 0 0 412.559 4.868 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@H](C)C[C@@H]3C2=O)c1 ZINC000017969981 558828983 /nfs/dbraw/zinc/82/89/83/558828983.db2.gz UFMTTYUTEDDWDA-BKTGTZMESA-N 0 0 410.901 4.826 50 0 HJAARN CC(=O)c1cccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)c1 ZINC000018102989 558831211 /nfs/dbraw/zinc/83/12/11/558831211.db2.gz MJTWTAIBBFSLJO-SIQOOTDXSA-N 0 0 421.496 4.634 50 0 HJAARN CC(C)(C)c1ccc(OC(=O)C2CCC(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)CC2)cc1 ZINC000018148963 558832294 /nfs/dbraw/zinc/83/22/94/558832294.db2.gz XJUBYYDFNVJAMS-JKKSXJTRSA-N 0 0 411.542 4.624 50 0 HJAARN Cc1ccc(-c2csc3ncn(C[C@H](O)c4c(F)cccc4F)c(=O)c23)cc1C ZINC000071949389 558835345 /nfs/dbraw/zinc/83/53/45/558835345.db2.gz FGLAXLNOGDCOIO-SFHVURJKSA-N 0 0 412.461 4.754 50 0 HJAARN C/N=C1\S/C(=C/c2cn(CCOc3ccc(C)cc3)c3ccccc23)C(=O)N1C ZINC000001014114 558836102 /nfs/dbraw/zinc/83/61/02/558836102.db2.gz WBPPNJFRWQGRBW-NFEGURHZSA-N 0 0 405.523 4.561 50 0 HJAARN O=C(N[C@H](Cc1ncc[nH]1)c1ccccc1)c1ccc(C2SCCCS2)cc1 ZINC000010644188 558836528 /nfs/dbraw/zinc/83/65/28/558836528.db2.gz JLZWJTLOBCNKRG-LJQANCHMSA-N 0 0 409.580 4.992 50 0 HJAARN CC(C)Cc1nnc(C(=O)Nc2cccc(C(=O)NCCC3=CCCCC3)c2)s1 ZINC000033022885 558838465 /nfs/dbraw/zinc/83/84/65/558838465.db2.gz MKZZWGUJNJZAIV-UHFFFAOYSA-N 0 0 412.559 4.609 50 0 HJAARN COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1cccc(C)c1 ZINC000046006666 558838879 /nfs/dbraw/zinc/83/88/79/558838879.db2.gz COUJSGRZIYIRIR-UHFFFAOYSA-N 0 0 414.509 4.926 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)Cc1c(C)nc2nc(-c3ccccc3)nn2c1C ZINC000046023775 558839081 /nfs/dbraw/zinc/83/90/81/558839081.db2.gz UQBUSQFJXSMCIN-UHFFFAOYSA-N 0 0 405.889 4.551 50 0 HJAARN CCc1ccccc1NC(=O)Cc1c(C)nc2nc(-c3ccccc3Cl)nn2c1C ZINC000046023837 558839183 /nfs/dbraw/zinc/83/91/83/558839183.db2.gz UKMDMYUHZYRHRR-UHFFFAOYSA-N 0 0 419.916 4.805 50 0 HJAARN Cc1nc2nc(-c3ccc(C(C)(C)C)cc3)nn2c(C)c1CC(=O)N1CCCCCC1 ZINC000046023876 558839239 /nfs/dbraw/zinc/83/92/39/558839239.db2.gz JREOQNXEYNVFJS-UHFFFAOYSA-N 0 0 419.573 4.651 50 0 HJAARN CC[C@@H](C)NS(=O)(=O)c1cc(-c2nc(-c3cccc(Cl)c3)no2)sc1C ZINC000046141437 558840020 /nfs/dbraw/zinc/84/00/20/558840020.db2.gz DIKIPBWCWGHTQA-SNVBAGLBSA-N 0 0 411.936 4.504 50 0 HJAARN CC(=O)NCc1ccc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)o1 ZINC000072313377 558840348 /nfs/dbraw/zinc/84/03/48/558840348.db2.gz KEHGDPAAGLOSGA-UHFFFAOYSA-N 0 0 417.490 4.959 50 0 HJAARN Cc1nc2sc(-c3ccccc3)cc2c(N2CCC(N(C)CC(F)F)CC2)n1 ZINC000072313954 558841486 /nfs/dbraw/zinc/84/14/86/558841486.db2.gz SKBAOFOXYKDWOB-UHFFFAOYSA-N 0 0 402.514 4.832 50 0 HJAARN Cc1csc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)n1 ZINC000033025676 558846386 /nfs/dbraw/zinc/84/63/86/558846386.db2.gz JUPTXYIWUAVCGW-UHFFFAOYSA-N 0 0 421.551 4.738 50 0 HJAARN CCOc1ccc(C(=O)Nc2ccccc2OC(=O)c2ccc(OCC)cc2)cc1 ZINC000004603218 558846427 /nfs/dbraw/zinc/84/64/27/558846427.db2.gz CAMAHJPCXGATSA-UHFFFAOYSA-N 0 0 405.450 4.956 50 0 HJAARN O=C(Nc1ccccc1)Nc1ccccc1SCc1cc(=O)n2ccccc2n1 ZINC000033026564 558847938 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Cc1ccc(C(=O)CSc2nccn(-c3cccc4ccccc43)c2=O)c(C)c1 ZINC000033039863 558869112 /nfs/dbraw/zinc/86/91/12/558869112.db2.gz XJOCWYKQOFMTDY-UHFFFAOYSA-N 0 0 400.503 4.978 50 0 HJAARN Cc1oc(-c2ccc(C)cc2)nc1CN1CCN(C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000033085185 558869127 /nfs/dbraw/zinc/86/91/27/558869127.db2.gz RLSMRRLKONUYAL-UHFFFAOYSA-N 0 0 422.504 4.756 50 0 HJAARN Cc1oc(-c2ccc(C)cc2)nc1CN1CCN(C(=O)Nc2cccc(C)c2)CC1 ZINC000033085177 558869132 /nfs/dbraw/zinc/86/91/32/558869132.db2.gz GWPNHJPBZZFBSO-UHFFFAOYSA-N 0 0 404.514 4.617 50 0 HJAARN CC(C)c1ccc(NC(=O)c2nc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)cc1 ZINC000033088505 558871272 /nfs/dbraw/zinc/87/12/72/558871272.db2.gz HASQZUOWXYKDFQ-UHFFFAOYSA-N 0 0 415.375 4.779 50 0 HJAARN Cc1cc(C)c(NC(=O)c2ccc3c(c2)-c2ccccc2S(=O)(=O)N3C)c(C)c1 ZINC000033088691 558871758 /nfs/dbraw/zinc/87/17/58/558871758.db2.gz HDFBVONMUZCNQL-UHFFFAOYSA-N 0 0 406.507 4.670 50 0 HJAARN C[C@@H]1Cc2cc(Br)cc3c2n1cc(C(=O)NCCC1=CCCCC1)c3=O ZINC000033089158 558871821 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O=C(Nc1ccccc1Cl)N[C@@H](Cc1ccccc1)C(=O)N1CCc2ccccc21 ZINC000033127933 558881193 /nfs/dbraw/zinc/88/11/93/558881193.db2.gz FKNNUZPCZSLDSC-NRFANRHFSA-N 0 0 419.912 4.662 50 0 HJAARN Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)N(C)Cc1cccc(Cl)c1 ZINC000055447604 558881260 /nfs/dbraw/zinc/88/12/60/558881260.db2.gz XECRCZUHNWUOJC-QFIPXVFZSA-N 0 0 403.917 4.846 50 0 HJAARN CCOc1ccc(NC(=O)C2CCC(C(=O)Nc3ccc(OCC)cc3)CC2)cc1 ZINC000055422091 558881269 /nfs/dbraw/zinc/88/12/69/558881269.db2.gz RYICAVUCSCXIKZ-UHFFFAOYSA-N 0 0 410.514 4.868 50 0 HJAARN COc1ccc(CN(C)[C@H](c2nnnn2-c2ccccc2C)c2ccccc2)cc1C ZINC000055447648 558881489 /nfs/dbraw/zinc/88/14/89/558881489.db2.gz NOIOTXMHRFONQN-DEOSSOPVSA-N 0 0 413.525 4.509 50 0 HJAARN COCc1cc(C)nc(N=NCc2ccccc2OCc2ccc(F)cc2)c1C#N ZINC000004620701 558881843 /nfs/dbraw/zinc/88/18/43/558881843.db2.gz IZWODZOIEQGOES-UHFFFAOYSA-N 0 0 404.445 4.572 50 0 HJAARN CC(=O)c1cccc(NC(=O)c2ccc(-c3nc(-c4cccc(F)c4)no3)cc2)c1 ZINC000033129619 558885459 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O=c1c2cnc3nc(C4CCCCC4)nn3c2ccn1-c1cc(Cl)cc(Cl)c1 ZINC000071385125 558897406 /nfs/dbraw/zinc/89/74/06/558897406.db2.gz HECNGFGENRCWEY-UHFFFAOYSA-N 0 0 414.296 4.783 50 0 HJAARN O=c1c2cnc3nc(C4CCCCC4)nn3c2ccn1-c1cc(Cl)ccc1Cl ZINC000071385432 558897429 /nfs/dbraw/zinc/89/74/29/558897429.db2.gz DULIAMDSCQLTGD-UHFFFAOYSA-N 0 0 414.296 4.783 50 0 HJAARN COc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)sc2c1 ZINC000033169184 558898997 /nfs/dbraw/zinc/89/89/97/558898997.db2.gz LWOJYOUARIJMRX-UHFFFAOYSA-N 0 0 414.483 4.912 50 0 HJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)CCOc1ccccc1 ZINC000058109575 558899575 /nfs/dbraw/zinc/89/95/75/558899575.db2.gz GKKLCWISEYNHGX-UHFFFAOYSA-N 0 0 411.933 4.629 50 0 HJAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CCCC[C@H]1CC ZINC000033173568 558901665 /nfs/dbraw/zinc/90/16/65/558901665.db2.gz PTGHJYTYEPVMSG-OAHLLOKOSA-N 0 0 416.465 4.876 50 0 HJAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H](c1ccccc1)N1CCC(=O)CC1 ZINC000058146084 558901980 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O=C(Nc1ccc(OCc2cccs2)cc1)N(Cc1cccnc1)C[C@@H]1CCCO1 ZINC000058166801 558907057 /nfs/dbraw/zinc/90/70/57/558907057.db2.gz HRRYTEMIAACQHP-NRFANRHFSA-N 0 0 423.538 4.935 50 0 HJAARN C[C@H](NC(=S)NC(=O)c1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000004699568 558907421 /nfs/dbraw/zinc/90/74/21/558907421.db2.gz BNQBKMVBIFMVBS-PGBBXINNSA-N 0 0 421.404 4.658 50 0 HJAARN CCOc1cccc2c1O[C@@H](c1ccc(C(=O)OC)cc1)N1N=C(c3ccco3)C[C@H]21 ZINC000004715681 558914919 /nfs/dbraw/zinc/91/49/19/558914919.db2.gz NSHDOYBCZMSNMP-XXBNENTESA-N 0 0 418.449 4.707 50 0 HJAARN COc1cccc(Nc2ccc3cc(S(=O)(=O)N4CCCC[C@H]4C)ccc3n2)c1 ZINC000033250501 558919389 /nfs/dbraw/zinc/91/93/89/558919389.db2.gz SEEVJVSHXKPFGD-MRXNPFEDSA-N 0 0 411.527 4.550 50 0 HJAARN CCc1ccc([C@@H](NC(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)C(C)C)cc1 ZINC000058341188 558920331 /nfs/dbraw/zinc/92/03/31/558920331.db2.gz KWKRGQHVONPTAD-PKOBYXMFSA-N 0 0 414.493 4.667 50 0 HJAARN FC(F)(F)c1cccc(-c2noc(CNc3cc4c(cc3Cl)OCCO4)n2)c1 ZINC000058355163 558921120 /nfs/dbraw/zinc/92/11/20/558921120.db2.gz DRTBLVOQUNSVLA-UHFFFAOYSA-N 0 0 411.767 4.792 50 0 HJAARN O=C(c1cnc(OCC(F)(F)F)c(Cl)c1)N1CCCSc2ccccc21 ZINC000058357886 558921742 /nfs/dbraw/zinc/92/17/42/558921742.db2.gz PFWQJALTPXILJC-UHFFFAOYSA-N 0 0 402.825 4.819 50 0 HJAARN O=C(Nc1cc2c(cc1C(=O)c1ccc(Cl)cc1)OCCO2)c1ccccc1F ZINC000004723329 558922606 /nfs/dbraw/zinc/92/26/06/558922606.db2.gz NSNHVCQVPZQASW-UHFFFAOYSA-N 0 0 411.816 4.734 50 0 HJAARN CC(C)[C@H](NC(=O)c1ccco1)c1nc(-c2ccc(N3CCCCCC3)cc2)no1 ZINC000033255514 558923348 /nfs/dbraw/zinc/92/33/48/558923348.db2.gz KPXBXTFYNJGJRC-FQEVSTJZSA-N 0 0 408.502 4.837 50 0 HJAARN Cc1cccc(Nc2ccccc2C(=O)N2CCCN(c3nccs3)CC2)c1C ZINC000058394127 558923960 /nfs/dbraw/zinc/92/39/60/558923960.db2.gz GBPDPSZZKCCNFG-UHFFFAOYSA-N 0 0 406.555 4.856 50 0 HJAARN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccc(N(C)C)cn1 ZINC000058406295 558924474 /nfs/dbraw/zinc/92/44/74/558924474.db2.gz KJWOZRNWUNVPMR-UHFFFAOYSA-N 0 0 406.433 4.851 50 0 HJAARN CC(C)NC(=O)Nc1cccc(-c2noc(-c3cccc(Br)c3)n2)c1 ZINC000033257474 558924482 /nfs/dbraw/zinc/92/44/82/558924482.db2.gz UKGMYWNTOIBEPE-UHFFFAOYSA-N 0 0 401.264 4.696 50 0 HJAARN COC(=O)c1ccc2[nH]c3c(c2c1)CN(c1ncc(C(F)(F)F)cc1Cl)CC3 ZINC000058406559 558924525 /nfs/dbraw/zinc/92/45/25/558924525.db2.gz FUZUAVBPIGZFGY-UHFFFAOYSA-N 0 0 409.795 4.584 50 0 HJAARN Cc1ccc(NC(=O)N2CCN(c3ccc(-c4noc(C(C)C)n4)cc3)CC2)cc1F ZINC000033258340 558925041 /nfs/dbraw/zinc/92/50/41/558925041.db2.gz FIGOAUPYIZWRHJ-UHFFFAOYSA-N 0 0 423.492 4.662 50 0 HJAARN Cc1nn(-c2ccc(-c3noc(C4CC4)n3)cc2)cc1C(=O)Nc1ccc(F)cc1C ZINC000033258682 558925757 /nfs/dbraw/zinc/92/57/57/558925757.db2.gz WMJJLOAXRAZTGT-UHFFFAOYSA-N 0 0 417.444 4.808 50 0 HJAARN O=C(NCc1cccnc1Oc1cccc(F)c1)c1ccc(OC(F)(F)F)cc1 ZINC000058819815 558930292 /nfs/dbraw/zinc/93/02/92/558930292.db2.gz SMXPHWMRCPONCD-UHFFFAOYSA-N 0 0 406.335 4.842 50 0 HJAARN COc1ccc(CNC(=O)c2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)cc1 ZINC000033261363 558930922 /nfs/dbraw/zinc/93/09/22/558930922.db2.gz JOLWRLACGIUXOB-UHFFFAOYSA-N 0 0 410.477 4.826 50 0 biogenic HJAARN COc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000072400381 558934605 /nfs/dbraw/zinc/93/46/05/558934605.db2.gz KJPLOIPINDTYTR-UHFFFAOYSA-N 0 0 412.449 4.516 50 0 HJAARN C[C@@H](OCCCNc1cnn(-c2ccc(F)cc2F)c(=O)c1Cl)c1ccccc1 ZINC000059376380 558934805 /nfs/dbraw/zinc/93/48/05/558934805.db2.gz UKGPFIWDWBHCKS-CQSZACIVSA-N 0 0 419.859 4.744 50 0 HJAARN CNC(=O)c1ccc(/C=C/C(=O)N(C)Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000036391080 558935200 /nfs/dbraw/zinc/93/52/00/558935200.db2.gz UHBQMFOQTMPVRG-LHHJGKSTSA-N 0 0 408.885 4.631 50 0 HJAARN O=C(Nc1nncs1)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCCC2 ZINC000072400954 558935457 /nfs/dbraw/zinc/93/54/57/558935457.db2.gz BKGSBGZSJPSVBF-LJQANCHMSA-N 0 0 424.570 4.752 50 0 HJAARN CCCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2nnc(C3CC3)s2)C12CCCC2 ZINC000072402034 558936797 /nfs/dbraw/zinc/93/67/97/558936797.db2.gz FUOIEJWZDOXSRJ-GOSISDBHSA-N 0 0 424.570 4.707 50 0 HJAARN C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N(Cc1cccnc1)C[C@@H]1CCCO1 ZINC000059786841 558939057 /nfs/dbraw/zinc/93/90/57/558939057.db2.gz PXRZOJFDKILXRF-CPJSRVTESA-N 0 0 416.521 4.724 50 0 HJAARN Cc1cccc(C)c1NC(=O)[C@H](C)n1cnc2onc(-c3ccc(Cl)cc3)c2c1=O ZINC000033057685 558942455 /nfs/dbraw/zinc/94/24/55/558942455.db2.gz SSXJMADQZPSDEU-AWEZNQCLSA-N 0 0 422.872 4.521 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc(Br)s1 ZINC000019617820 558946795 /nfs/dbraw/zinc/94/67/95/558946795.db2.gz WHRANIVAFBEYCN-UHFFFAOYSA-N 0 0 404.333 4.585 50 0 HJAARN Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@H](c2ccc(C)cc2C)CC(=O)N3)cc1 ZINC000021784226 558949697 /nfs/dbraw/zinc/94/96/97/558949697.db2.gz WSJSCWWJZYAFCU-SFHVURJKSA-N 0 0 405.523 4.874 50 0 HJAARN Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@H](c2cccc(F)c2F)CC(=O)N3)c1 ZINC000021784890 558949789 /nfs/dbraw/zinc/94/97/89/558949789.db2.gz SJBXUMOPNKQHQF-AWEZNQCLSA-N 0 0 413.449 4.535 50 0 HJAARN COc1cccc(NC(=O)NCCCn2c(-c3ccc(C)cc3)nc3cccnc32)c1 ZINC000033263804 558953364 /nfs/dbraw/zinc/95/33/64/558953364.db2.gz KETOHQFLSKDQSK-UHFFFAOYSA-N 0 0 415.497 4.627 50 0 HJAARN Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000033059913 558954199 /nfs/dbraw/zinc/95/41/99/558954199.db2.gz HVNULEKSMKGOEU-UHFFFAOYSA-N 0 0 416.550 4.666 50 0 HJAARN O=C(CCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)Nc1ccc(Cl)cc1 ZINC000033061423 558955036 /nfs/dbraw/zinc/95/50/36/558955036.db2.gz RKHNMLJOTAKQAX-UHFFFAOYSA-N 0 0 421.309 4.669 50 0 HJAARN Cc1ccc(-c2nc3cccnc3n2CCCNC(=O)Nc2ccc(F)cc2F)cc1 ZINC000033263825 558955722 /nfs/dbraw/zinc/95/57/22/558955722.db2.gz URJGVQFKQVRNNC-UHFFFAOYSA-N 0 0 421.451 4.897 50 0 HJAARN Cc1ccc(C(=O)Nc2nnc(SCc3cc(=O)c4cc(C)ccc4[nH]3)s2)cc1 ZINC000033063900 558956774 /nfs/dbraw/zinc/95/67/74/558956774.db2.gz XYJLEFDASNFQKA-UHFFFAOYSA-N 0 0 422.535 4.541 50 0 HJAARN Cc1sc(-c2nc(-c3ccccc3)no2)cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000064450469 558963252 /nfs/dbraw/zinc/96/32/52/558963252.db2.gz PTIUYTXVQOTUOE-UHFFFAOYSA-N 0 0 415.471 4.713 50 0 HJAARN CCCCNC(=O)Cc1c(C)nn(-c2nc(-c3ccc(Cl)cc3)cs2)c1C ZINC000064790115 558965314 /nfs/dbraw/zinc/96/53/14/558965314.db2.gz SBJDSHJJUHUSTP-UHFFFAOYSA-N 0 0 402.951 4.725 50 0 HJAARN COc1ccccc1NC(=O)CSc1nc2ccccc2nc1Cc1ccccc1 ZINC000033068756 558967687 /nfs/dbraw/zinc/96/76/87/558967687.db2.gz WNZYBHCLBRUAFI-UHFFFAOYSA-N 0 0 415.518 4.960 50 0 HJAARN Cc1cccc(N2CCN(c3nccn4nc(-c5cccc(Cl)c5)cc34)CC2)c1C ZINC000064958687 558967981 /nfs/dbraw/zinc/96/79/81/558967981.db2.gz MCPCMDBKTGYILX-UHFFFAOYSA-N 0 0 417.944 4.993 50 0 HJAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCCCC[C@H]1c1ccc(C)cc1 ZINC000064984281 558968389 /nfs/dbraw/zinc/96/83/89/558968389.db2.gz IMJOAIHKMAVMBA-NRFANRHFSA-N 0 0 400.544 4.568 50 0 HJAARN Cc1ccsc1CCNS(=O)(=O)c1ccc(-c2cnc(C3CCC3)o2)s1 ZINC000065004565 558969187 /nfs/dbraw/zinc/96/91/87/558969187.db2.gz QMADNKKDHYUUNF-UHFFFAOYSA-N 0 0 408.570 4.562 50 0 HJAARN C[C@]1(C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)CC1(Cl)Cl ZINC000022993464 558970317 /nfs/dbraw/zinc/97/03/17/558970317.db2.gz AICZYKGRTISHHF-QGZVFWFLSA-N 0 0 413.736 4.847 50 0 HJAARN O=C(Nc1cccc(F)c1)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915555 558971954 /nfs/dbraw/zinc/97/19/54/558971954.db2.gz IRSPHGKAMCIDMG-UHFFFAOYSA-N 0 0 403.457 4.915 50 0 HJAARN O=C(COc1ccccc1F)Nc1cc(-c2ccccc2F)nn1-c1ccccc1 ZINC000021944886 558978612 /nfs/dbraw/zinc/97/86/12/558978612.db2.gz XJMAJZUHSMXDOI-UHFFFAOYSA-N 0 0 405.404 4.835 50 0 HJAARN O=C(Nc1cc(F)ccc1F)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 ZINC000021944666 558978633 /nfs/dbraw/zinc/97/86/33/558978633.db2.gz RLOMFDLLDXXBRL-UHFFFAOYSA-N 0 0 412.415 4.843 50 0 biogenic HJAARN Cc1nc(C)c(C(=O)Nc2nn(Cc3ccccc3)c3cccc(OC(C)C)c23)o1 ZINC000072432556 558979327 /nfs/dbraw/zinc/97/93/27/558979327.db2.gz CDWKHTLTNMAQCA-UHFFFAOYSA-N 0 0 404.470 4.729 50 0 HJAARN CCNC(=O)N1CCC[C@H](c2cccc(C(=O)N[C@@H](C)c3ccc(C)cc3C)c2)C1 ZINC000033264188 558984689 /nfs/dbraw/zinc/98/46/89/558984689.db2.gz FWAHCBSRCHMKKH-UGKGYDQZSA-N 0 0 407.558 4.703 50 0 HJAARN Cc1nn(-c2ccccc2)c2sc(-c3noc(-c4ccc5c(c4)OCO5)n3)cc12 ZINC000033264697 558984944 /nfs/dbraw/zinc/98/49/44/558984944.db2.gz NWBPDZWOJZWLKE-UHFFFAOYSA-N 0 0 402.435 4.841 50 0 HJAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1C ZINC000004729041 558985408 /nfs/dbraw/zinc/98/54/08/558985408.db2.gz YBWSFNQMQIAUHI-CKJXQJPGSA-N 0 0 414.521 4.720 50 0 HJAARN Cc1cc(C(=O)CS[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)c(C)[nH]1 ZINC000097035924 558988192 /nfs/dbraw/zinc/98/81/92/558988192.db2.gz OULOZUPFGSCPDO-LBPRGKRZSA-N 0 0 413.524 4.867 50 0 HJAARN COc1ccc(OC)c(NC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2cccnc2)c1 ZINC000033267698 558990146 /nfs/dbraw/zinc/99/01/46/558990146.db2.gz RSDMSVKDLPDGTL-LJQANCHMSA-N 0 0 416.481 4.534 50 0 HJAARN COc1ccc(NC(=O)NC[C@@H](c2cn(C)c3ccccc23)c2cccnc2)cc1 ZINC000033267858 558990390 /nfs/dbraw/zinc/99/03/90/558990390.db2.gz QHBZKUZDVHMGGS-OAQYLSRUSA-N 0 0 400.482 4.536 50 0 HJAARN CCOc1ccc(NC(=O)NC[C@H](c2cn(C)c3ccccc23)c2cccnc2)cc1 ZINC000033267863 558990428 /nfs/dbraw/zinc/99/04/28/558990428.db2.gz IOWUATSMWAJNAN-QFIPXVFZSA-N 0 0 414.509 4.926 50 0 HJAARN Cc1ccc(C)c(NC(=O)N2CC[C@@H](n3c(-c4ccco4)nc4cccnc43)C2)c1 ZINC000097112209 558995491 /nfs/dbraw/zinc/99/54/91/558995491.db2.gz YENQEZGFFVWOMD-QGZVFWFLSA-N 0 0 401.470 4.787 50 0 HJAARN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCc1ccccc1Oc1ccccn1 ZINC000097111996 558995511 /nfs/dbraw/zinc/99/55/11/558995511.db2.gz YLDHFQOHURDAGW-UHFFFAOYSA-N 0 0 418.884 4.951 50 0 HJAARN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000097117408 558996124 /nfs/dbraw/zinc/99/61/24/558996124.db2.gz OESZVJCUTJOTOW-FGZHOGPDSA-N 0 0 408.542 4.529 50 0 HJAARN Cc1ccccc1-c1ccc(N2CCC[C@@H](C(=O)NCc3ccc(Cl)cc3)C2)nn1 ZINC000022485927 558996147 /nfs/dbraw/zinc/99/61/47/558996147.db2.gz OAIMAAXYYDSCJG-LJQANCHMSA-N 0 0 420.944 4.638 50 0 HJAARN CCCn1c([C@@H]2CCN(C(=O)Nc3ccc(F)c(Cl)c3)C2)nc2cccnc21 ZINC000097151625 558997308 /nfs/dbraw/zinc/99/73/08/558997308.db2.gz SUYQAGPYNNVXOM-CYBMUJFWSA-N 0 0 401.873 4.655 50 0 HJAARN COc1cccc(N2CCN(C(=O)c3cc4cn(C5CCCC5)cc4s3)CC2)c1 ZINC000097151902 558997595 /nfs/dbraw/zinc/99/75/95/558997595.db2.gz UMLGFMDVLWHLKF-UHFFFAOYSA-N 0 0 409.555 4.789 50 0 HJAARN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N3c4ccccc4C[C@@H]3C)cc2)ccc1F ZINC000023074765 558998972 /nfs/dbraw/zinc/99/89/72/558998972.db2.gz BJFZPOJBFYWMHK-INIZCTEOSA-N 0 0 424.497 4.526 50 0 HJAARN Cc1ccc(OC(F)F)c(C(=O)COc2cc3oc(=O)cc(C)c3cc2Cl)c1 ZINC000023104718 559009722 /nfs/dbraw/zinc/00/97/22/559009722.db2.gz DZHNRUXVEXVHLO-UHFFFAOYSA-N 0 0 408.784 4.926 50 0 HJAARN CCOc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCC[C@H](C)C3)c2c1 ZINC000023109686 559011928 /nfs/dbraw/zinc/01/19/28/559011928.db2.gz DWGCWVXUXRHDEJ-KRWDZBQOSA-N 0 0 410.539 4.703 50 0 HJAARN O=C(c1cccc(C(F)(F)F)c1)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 ZINC000023140222 559020142 /nfs/dbraw/zinc/02/01/42/559020142.db2.gz ATOKPCLJNLTRTG-ZDUSSCGKSA-N 0 0 407.417 4.837 50 0 HJAARN Cc1nc2sccn2c1-c1nnc(SCc2ccc(C(F)(F)F)cc2)n1C ZINC000023141439 559020395 /nfs/dbraw/zinc/02/03/95/559020395.db2.gz STHFDKOOWMFQLV-UHFFFAOYSA-N 0 0 409.462 4.811 50 0 HJAARN Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)Nc1ccc(Cl)cc1F ZINC000033269665 559032387 /nfs/dbraw/zinc/03/23/87/559032387.db2.gz SBIVQNWUWYWDDI-UHFFFAOYSA-N 0 0 407.854 4.516 50 0 HJAARN Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)Nc1ccc(F)cc1Cl ZINC000033269667 559032394 /nfs/dbraw/zinc/03/23/94/559032394.db2.gz GIBDJVMSIXDPAP-UHFFFAOYSA-N 0 0 407.854 4.516 50 0 HJAARN COc1ccc([C@@H]2C[C@@H](c3ccc(C)cc3)N(C(=O)C(C)(C)C)c3ncnn32)cc1 ZINC000004732808 559033341 /nfs/dbraw/zinc/03/33/41/559033341.db2.gz CSZNTWZPGUTEAR-SFTDATJTSA-N 0 0 404.514 4.709 50 0 HJAARN COc1ccc(C(=O)CSc2nnc(-c3ccccc3F)n2C(C)C)cc1OC ZINC000004736141 559035337 /nfs/dbraw/zinc/03/53/37/559035337.db2.gz UKKLRLDDZONXDC-UHFFFAOYSA-N 0 0 415.490 4.657 50 0 HJAARN CCCC[C@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)CN1C(=O)c1ccc[nH]1 ZINC000082091774 559036995 /nfs/dbraw/zinc/03/69/95/559036995.db2.gz NATUZRXYUOVKGI-QFIPXVFZSA-N 0 0 401.510 4.730 50 0 HJAARN Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)Nc3ccccc3F)cc2)n1 ZINC000082230339 559042608 /nfs/dbraw/zinc/04/26/08/559042608.db2.gz WCGVQCZAIUXBNY-UHFFFAOYSA-N 0 0 406.465 4.912 50 0 HJAARN COc1ccc([C@H](C)NC(=O)CSc2nccnc2Sc2ccccc2)cc1 ZINC000033288904 559044451 /nfs/dbraw/zinc/04/44/51/559044451.db2.gz DUQLAPJFSMRFAZ-HNNXBMFYSA-N 0 0 411.552 4.606 50 0 HJAARN CC(=O)c1ccc(NC(=O)CSc2ncnc3c(-c4cccc(C)c4)c[nH]c32)cc1 ZINC000033291872 559045961 /nfs/dbraw/zinc/04/59/61/559045961.db2.gz ZKXSQFRXQJKEBS-UHFFFAOYSA-N 0 0 416.506 4.867 50 0 HJAARN C[C@H](C(=O)N1CCCCCC1)N1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12 ZINC000004747655 559046035 /nfs/dbraw/zinc/04/60/35/559046035.db2.gz DGEQBRZNDBKFGR-KOSHJBKYSA-N 0 0 415.537 4.515 50 0 HJAARN Cc1coc2c1cc1c(C)c(CC(=O)NCCc3ccccc3F)c(=O)oc1c2C ZINC000004743982 559046258 /nfs/dbraw/zinc/04/62/58/559046258.db2.gz YMLYGVWGLFNEBL-UHFFFAOYSA-N 0 0 407.441 4.505 50 0 HJAARN Cc1oc2cc3oc(=O)c(CC(=O)NCc4cccc(Cl)c4)c(C)c3cc2c1C ZINC000004744116 559046305 /nfs/dbraw/zinc/04/63/05/559046305.db2.gz KEZSKHUMZALMBN-UHFFFAOYSA-N 0 0 409.869 4.977 50 0 HJAARN Cc1sc(C)c(S(=O)(=O)N2CCCCCC2)c1-c1cc(C(F)(F)F)on1 ZINC000033299340 559049359 /nfs/dbraw/zinc/04/93/59/559049359.db2.gz XGIWYMJCHKOVKP-UHFFFAOYSA-N 0 0 408.467 4.603 50 0 HJAARN CSc1ncccc1C(=O)Nc1cccc(OCc2nnc(-c3ccccc3)o2)c1 ZINC000033307211 559051972 /nfs/dbraw/zinc/05/19/72/559051972.db2.gz GLZZPIAWSMQBGB-UHFFFAOYSA-N 0 0 418.478 4.685 50 0 HJAARN Cc1ccccc1-c1nnc(COc2ccc(NC(=O)Cc3cccs3)cc2)o1 ZINC000033308353 559052536 /nfs/dbraw/zinc/05/25/36/559052536.db2.gz IJKZTNSBIUGDCY-UHFFFAOYSA-N 0 0 405.479 4.867 50 0 HJAARN Cc1ccc(C)c(CNC(=O)c2ccc(-c3nccnc3N3CCCCC3)cc2)c1 ZINC000033313156 559055169 /nfs/dbraw/zinc/05/51/69/559055169.db2.gz VBPQWCOVJUPKRF-UHFFFAOYSA-N 0 0 400.526 4.681 50 0 HJAARN O=C(Cc1c[nH]c2ccccc12)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000011339650 559056430 /nfs/dbraw/zinc/05/64/30/559056430.db2.gz NRKQBPSOTFPZMB-UHFFFAOYSA-N 0 0 420.516 4.939 50 0 HJAARN C[C@@H]1CCCN(C(=O)COc2ccccc2-c2noc(-c3ccccc3Cl)n2)C1 ZINC000033325243 559058717 /nfs/dbraw/zinc/05/87/17/559058717.db2.gz FUOMYBDPXKFWDH-OAHLLOKOSA-N 0 0 411.889 4.694 50 0 HJAARN Cc1cccc(NC(=O)Cc2c(C)nc3nc(-c4ccccc4Cl)nn3c2C)c1 ZINC000086069668 559059281 /nfs/dbraw/zinc/05/92/81/559059281.db2.gz HLBOTUKSBJQDCM-UHFFFAOYSA-N 0 0 405.889 4.551 50 0 HJAARN COc1ccc(-c2nc(-c3cccc(OCC(=O)Nc4ccc(F)cc4)c3)no2)cc1 ZINC000033327401 559060270 /nfs/dbraw/zinc/06/02/70/559060270.db2.gz RUUOEZZJVFBSFN-UHFFFAOYSA-N 0 0 419.412 4.569 50 0 HJAARN Cc1ccccc1-c1cc(C(=O)N[C@H](c2nc(-c3ccccc3)no2)C(C)C)no1 ZINC000585152235 559061117 /nfs/dbraw/zinc/06/11/17/559061117.db2.gz DWQHWFDUTJWUCH-FQEVSTJZSA-N 0 0 402.454 4.827 50 0 HJAARN Cc1cc(C)c(NC(=O)CSc2nnc(N3CCCCC3)n2C2CC2)c(Cl)c1 ZINC000011371126 559062538 /nfs/dbraw/zinc/06/25/38/559062538.db2.gz ZSOAGGVRRIOWJR-UHFFFAOYSA-N 0 0 419.982 4.604 50 0 HJAARN CC(C)CCNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1CCC1=CCCCC1 ZINC000033332133 559063054 /nfs/dbraw/zinc/06/30/54/559063054.db2.gz SEWIZQRQRVEWFY-AREMUKBSSA-N 0 0 421.585 4.909 50 0 HJAARN CCCCSc1nnc2n1c1sc3c(c1c(=O)n2C)CC[C@H](C(C)(C)C)C3 ZINC000004812536 559069496 /nfs/dbraw/zinc/06/94/96/559069496.db2.gz OEIPROWUIQMSEM-LBPRGKRZSA-N 0 0 404.605 4.686 50 0 HJAARN COCCn1c(SCc2cccc3cccnc32)nc2sc(C)c(C)c2c1=O ZINC000011383678 559069820 /nfs/dbraw/zinc/06/98/20/559069820.db2.gz UNINBGKLMWNGPI-UHFFFAOYSA-N 0 0 411.552 4.562 50 0 HJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000023258599 559071836 /nfs/dbraw/zinc/07/18/36/559071836.db2.gz AZZQKHUZTJQQGN-UHFFFAOYSA-N 0 0 407.832 4.739 50 0 HJAARN CCCOc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1 ZINC000011451148 559076930 /nfs/dbraw/zinc/07/69/30/559076930.db2.gz KMYRCIIDXTVQLD-UHFFFAOYSA-N 0 0 407.495 4.736 50 0 HJAARN CCc1nnc(NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)s1 ZINC000011474940 559077901 /nfs/dbraw/zinc/07/79/01/559077901.db2.gz XUWJIAZYFBUGBA-UHFFFAOYSA-N 0 0 404.495 4.994 50 0 HJAARN CSc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ncoc2C)cc1 ZINC000095510959 559083782 /nfs/dbraw/zinc/08/37/82/559083782.db2.gz ZUVPHOOQJHXGIO-JOCHJYFZSA-N 0 0 403.507 4.974 50 0 HJAARN CCOc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ncoc2C)cc1 ZINC000095520332 559085063 /nfs/dbraw/zinc/08/50/63/559085063.db2.gz GVYMWBZKWWJVHC-QHCPKHFHSA-N 0 0 401.466 4.651 50 0 HJAARN Cc1ccc(C(=O)n2nc(-c3cccnc3)nc2NCc2cccc(Cl)c2)cc1 ZINC000004816440 559088933 /nfs/dbraw/zinc/08/89/33/559088933.db2.gz LYZCVPQVGPEGAN-UHFFFAOYSA-N 0 0 403.873 4.603 50 0 HJAARN CCOC(=O)CCCCCCSc1nc2cc(C(=O)NC3CC3)ccc2s1 ZINC000096191789 559101147 /nfs/dbraw/zinc/10/11/47/559101147.db2.gz VAQGJAWWIWMICZ-UHFFFAOYSA-N 0 0 406.573 4.794 50 0 HJAARN Cc1c2ccccc2oc1-c1nnc2sc(-c3cncc(Br)c3)nn21 ZINC000096194413 559101211 /nfs/dbraw/zinc/10/12/11/559101211.db2.gz VQLRAKXHIBVHFP-UHFFFAOYSA-N 0 0 412.272 4.732 50 0 HJAARN Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1 ZINC000023310710 559114617 /nfs/dbraw/zinc/11/46/17/559114617.db2.gz BWYTVAJRLYVQGQ-SANMLTNESA-N 0 0 402.513 4.610 50 0 HJAARN COc1ccccc1[C@@H]1C[C@H](c2ccc(C)cc2)N(C(=O)C(C)(C)C)c2ncnn21 ZINC000004816952 559115029 /nfs/dbraw/zinc/11/50/29/559115029.db2.gz PLCBKNKJQCBAOZ-UXHICEINSA-N 0 0 404.514 4.709 50 0 HJAARN CCCCC(=O)N1c2ncnn2[C@H](c2ccccc2OC)C[C@@H]1c1ccc(OC)cc1 ZINC000004816997 559115144 /nfs/dbraw/zinc/11/51/44/559115144.db2.gz BLEBZGPLOOWERG-RTWAWAEBSA-N 0 0 420.513 4.553 50 0 HJAARN COc1ccc(-c2onc(C)c2C(=O)N2CCC(Cc3ccc(F)cc3)CC2)cc1 ZINC000023315573 559116791 /nfs/dbraw/zinc/11/67/91/559116791.db2.gz NWDRVNZKWGMZIL-UHFFFAOYSA-N 0 0 408.473 4.893 50 0 HJAARN O=C(Cc1c(F)cccc1F)N1CCC(n2cnc3cc(C(F)(F)F)ccc32)CC1 ZINC000023318081 559117709 /nfs/dbraw/zinc/11/77/09/559117709.db2.gz VXYFSGUYMHYKLF-UHFFFAOYSA-N 0 0 423.385 4.740 50 0 HJAARN Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(I)cc1 ZINC000006277413 559118539 /nfs/dbraw/zinc/11/85/39/559118539.db2.gz YTRNCVFJPAXHRJ-UHFFFAOYSA-N 0 0 409.267 4.741 50 0 HJAARN Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)c3cccnc3Cl)CC2)cc1 ZINC000023320134 559125783 /nfs/dbraw/zinc/12/57/83/559125783.db2.gz MAGTXTDSOXIJKC-QFIPXVFZSA-N 0 0 405.929 4.591 50 0 HJAARN Cc1ccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1C ZINC000098072981 559126642 /nfs/dbraw/zinc/12/66/42/559126642.db2.gz PDHMRIFEFJPPRU-UHFFFAOYSA-N 0 0 408.239 4.886 50 0 HJAARN CC(C)(C)OC(=O)N1CCC(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000098210991 559127218 /nfs/dbraw/zinc/12/72/18/559127218.db2.gz ZOBPEEGDRUYOSY-UHFFFAOYSA-N 0 0 411.424 4.945 50 0 HJAARN Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)c(Cl)c1 ZINC000098211407 559127299 /nfs/dbraw/zinc/12/72/99/559127299.db2.gz APMUXRPNEFNCQW-UHFFFAOYSA-N 0 0 410.836 4.945 50 0 HJAARN COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3c(C)cccc3C)n2)cc1F ZINC000098211451 559127390 /nfs/dbraw/zinc/12/73/90/559127390.db2.gz BELFUWOUXNWRKN-UHFFFAOYSA-N 0 0 420.444 4.608 50 0 HJAARN CCOC(=O)c1cc([C@@H](C)CC)n(-c2ccc(C(=O)NCc3cccc(C)c3)cc2)n1 ZINC000023322166 559133507 /nfs/dbraw/zinc/13/35/07/559133507.db2.gz HTAQNYRUEUOPAT-SFHVURJKSA-N 0 0 419.525 4.801 50 0 HJAARN COc1cc(CNC(=O)c2c(C)noc2-c2ccc(C(C)(C)C)cc2)cc(OC)c1 ZINC000023323250 559144401 /nfs/dbraw/zinc/14/44/01/559144401.db2.gz XURSRPFUPXXPEO-UHFFFAOYSA-N 0 0 408.498 4.895 50 0 HJAARN Cc1ccc(N2C[C@@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2=O)cc1F ZINC000011665894 559147405 /nfs/dbraw/zinc/14/74/05/559147405.db2.gz MCVKFUJQTBPUCW-ZDUSSCGKSA-N 0 0 405.351 4.723 50 0 HJAARN Cc1nnc(-c2cc(C(C)C)n(-c3ccc(C(=O)NCCC4=CCCCC4)cc3)n2)o1 ZINC000023323979 559147944 /nfs/dbraw/zinc/14/79/44/559147944.db2.gz ZSLTUGUTXHPDAY-UHFFFAOYSA-N 0 0 419.529 4.974 50 0 HJAARN Fc1ccc(Br)cc1[C@H]1CC(c2ccc(Cl)cc2)=Nc2ncnn21 ZINC000102046727 559149017 /nfs/dbraw/zinc/14/90/17/559149017.db2.gz IJXNCOBBJVXZCQ-MRXNPFEDSA-N 0 0 405.658 4.889 50 0 HJAARN c1coc(-c2cc(CSc3nnc(-c4cccs4)n3C[C@H]3CCCO3)no2)c1 ZINC000014200745 559156630 /nfs/dbraw/zinc/15/66/30/559156630.db2.gz UNEGHORLAFQMKR-CQSZACIVSA-N 0 0 414.512 4.726 50 0 HJAARN CC(C)c1ccc(Nc2nnc(S[C@@H](C)C(=O)NCc3ccco3)s2)cc1 ZINC000004835682 559165791 /nfs/dbraw/zinc/16/57/91/559165791.db2.gz PYRGXVVVHDREAZ-ZDUSSCGKSA-N 0 0 402.545 4.795 50 0 HJAARN Cc1cc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c(C)c1 ZINC000014426573 559165869 /nfs/dbraw/zinc/16/58/69/559165869.db2.gz BKVXFVNXCVXDFI-UHFFFAOYSA-N 0 0 420.962 4.692 50 0 HJAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](OP(=O)(N5CC5)N5CC5)CC[C@@]43C)[C@H]1CCC2=O ZINC000263621535 559166495 /nfs/dbraw/zinc/16/64/95/559166495.db2.gz XSVDHLSLBYJBSG-HUCDYXQFSA-N 0 0 418.518 4.643 50 0 biogenic HJAARN O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1cc(F)ccc1F ZINC000014503664 559167301 /nfs/dbraw/zinc/16/73/01/559167301.db2.gz XNELFVJIACKZEH-UHFFFAOYSA-N 0 0 403.432 4.807 50 0 HJAARN O=C(c1cccc(OCc2ccccc2)c1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000023383316 559173648 /nfs/dbraw/zinc/17/36/48/559173648.db2.gz OEANYLUBYBYJIN-RUZDIDTESA-N 0 0 401.506 4.851 50 0 HJAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc(F)c2)cc1 ZINC000023435420 559174105 /nfs/dbraw/zinc/17/41/05/559174105.db2.gz SBXKZQRJQXUOPE-DEOSSOPVSA-N 0 0 421.468 4.639 50 0 HJAARN COc1cc(C(=O)N2CCc3ccccc3[C@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000023434267 559174529 /nfs/dbraw/zinc/17/45/29/559174529.db2.gz QFVOHEBGIGSJKW-HSZRJFAPSA-N 0 0 421.468 4.639 50 0 HJAARN Cc1ccccc1C(=O)N[C@H](C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1)C(C)C ZINC000023546933 559176846 /nfs/dbraw/zinc/17/68/46/559176846.db2.gz KLHSSIWQQSXYND-KXBFYZLASA-N 0 0 406.448 4.646 50 0 HJAARN Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3nc4ccccc4s3)C2)n1 ZINC000220808530 559177378 /nfs/dbraw/zinc/17/73/78/559177378.db2.gz ASRLNKCHXYLSCW-MRXNPFEDSA-N 0 0 418.522 4.750 50 0 HJAARN CCC[C@@H](C)NC(=O)COC(=O)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 ZINC000023580262 559177393 /nfs/dbraw/zinc/17/73/93/559177393.db2.gz JDNQFYULNIFBNB-ZGPWBKFBSA-N 0 0 417.452 4.677 50 0 HJAARN Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)n1 ZINC000220810632 559177516 /nfs/dbraw/zinc/17/75/16/559177516.db2.gz SPSDANDCBPNTJC-QGZVFWFLSA-N 0 0 400.482 4.621 50 0 HJAARN Cc1c(C(=O)Nc2ccccc2C)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000011689939 559177935 /nfs/dbraw/zinc/17/79/35/559177935.db2.gz RWYMYONGJBWHAK-UHFFFAOYSA-N 0 0 409.449 4.945 50 0 HJAARN O=C(NCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc2c(c1)OCCO2 ZINC000011690435 559178488 /nfs/dbraw/zinc/17/84/88/559178488.db2.gz JVVMKNSRMIUQIS-UHFFFAOYSA-N 0 0 404.249 4.955 50 0 HJAARN COc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2N2CCCCC2)cc1 ZINC000023643480 559178637 /nfs/dbraw/zinc/17/86/37/559178637.db2.gz WCPOKXYOZBHPGH-UHFFFAOYSA-N 0 0 416.930 4.720 50 0 HJAARN COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc(Cl)cc2Cl)N1C(C)=O ZINC000011692267 559186351 /nfs/dbraw/zinc/18/63/51/559186351.db2.gz GYQFWILJIYUNQM-AZUAARDMSA-N 0 0 417.292 4.510 50 0 biogenic HJAARN Cc1cccc(Oc2nc(CN3CCOCC3)nc3sc4c(c32)CC[C@H](C)C4)c1 ZINC000023955541 559186448 /nfs/dbraw/zinc/18/64/48/559186448.db2.gz VWZPITAPYITBHW-INIZCTEOSA-N 0 0 409.555 4.749 50 0 HJAARN COc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1 ZINC000011694434 559188124 /nfs/dbraw/zinc/18/81/24/559188124.db2.gz ANMZQOHSMYJGBX-UHFFFAOYSA-N 0 0 417.440 4.851 50 0 HJAARN COc1cccc(NC(=O)Cn2cc(-c3nnc(-c4ccco4)o3)c3ccccc32)c1 ZINC000011695962 559188763 /nfs/dbraw/zinc/18/87/63/559188763.db2.gz CEHWSSBMXSTRPL-UHFFFAOYSA-N 0 0 414.421 4.599 50 0 HJAARN O=C(CCCn1nc(-c2ccco2)ccc1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000011695853 559189047 /nfs/dbraw/zinc/18/90/47/559189047.db2.gz OEVUIDFQDLFPSC-UHFFFAOYSA-N 0 0 415.449 4.715 50 0 HJAARN COc1ccc2c(COc3ccc(C(=O)c4ccc(F)cc4)cc3)cc(=O)oc2c1 ZINC000004846778 559190026 /nfs/dbraw/zinc/19/00/26/559190026.db2.gz GWMFPYFFTFRAFW-UHFFFAOYSA-N 0 0 404.393 4.751 50 0 HJAARN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@H]3c2ccccc2)cc1OC ZINC000004872090 559194487 /nfs/dbraw/zinc/19/44/87/559194487.db2.gz NJHVRHMSDDWBDE-NLFFAJNJSA-N 0 0 416.477 4.955 50 0 HJAARN CCn1c(S[C@H]2CCOC2=O)nnc1-c1cc(-c2ccccc2)nc2ccccc21 ZINC000004876429 559195460 /nfs/dbraw/zinc/19/54/60/559195460.db2.gz JMCAJORLBZODQS-FQEVSTJZSA-N 0 0 416.506 4.588 50 0 HJAARN Cc1ccc(Cn2c3sc4c(c3c(=O)n(Cc3ccccc3)c2=O)CCCC4)cc1 ZINC000004877796 559195641 /nfs/dbraw/zinc/19/56/41/559195641.db2.gz CSWAVYSOKXVGJZ-UHFFFAOYSA-N 0 0 416.546 4.509 50 0 HJAARN COc1ccc(CNC(=O)c2cc(-c3cccs3)nc3ccccc32)c(OC)c1 ZINC000004881653 559196523 /nfs/dbraw/zinc/19/65/23/559196523.db2.gz AWRWMDQJDPTYLQ-UHFFFAOYSA-N 0 0 404.491 4.911 50 0 HJAARN CCOc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000004882008 559197133 /nfs/dbraw/zinc/19/71/33/559197133.db2.gz YBFXWORKEFOYQB-RPWUZVMVSA-N 0 0 412.489 4.561 50 0 HJAARN CCOc1ccc(-n2c(=O)c3sccc3n(Cc3c(C)cc(C)cc3C)c2=O)cc1 ZINC000004882365 559197220 /nfs/dbraw/zinc/19/72/20/559197220.db2.gz ONUWCDDQPNQGRD-UHFFFAOYSA-N 0 0 420.534 4.586 50 0 HJAARN CCOc1ccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3ccccc3C)c2=O)cc1 ZINC000004882476 559197275 /nfs/dbraw/zinc/19/72/75/559197275.db2.gz UEKFKKRVUSUXKW-UHFFFAOYSA-N 0 0 420.534 4.586 50 0 HJAARN Cc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](c3ccco3)C2)cc1 ZINC000004899054 559199104 /nfs/dbraw/zinc/19/91/04/559199104.db2.gz MHQHJMDEDDQYAE-LJQANCHMSA-N 0 0 400.887 4.781 50 0 HJAARN Cc1cc(C)c(Cn2c3sc4c(c3c(=O)n(-c3ccccc3)c2=O)CCC4)c(C)c1 ZINC000004903603 559200258 /nfs/dbraw/zinc/20/02/58/559200258.db2.gz GGZSIRDPBQZVGU-UHFFFAOYSA-N 0 0 416.546 4.676 50 0 HJAARN CC1(C)C[C@]2(CCO1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccco3)=NN12 ZINC000004907959 559201049 /nfs/dbraw/zinc/20/10/49/559201049.db2.gz PRQJSYYZSIZUMQ-JXFKEZNVSA-N 0 0 417.303 4.871 50 0 HJAARN CCN(CC)c1ccc(NC(=O)C2CCN(c3nc4ccccc4[nH]3)CC2)c(C)c1 ZINC000004911500 559202716 /nfs/dbraw/zinc/20/27/16/559202716.db2.gz XCTADJDINPUOIA-UHFFFAOYSA-N 0 0 405.546 4.573 50 0 HJAARN Cc1ccc(C(=O)[C@@H](OC(=O)c2cc(=O)[nH]c3ccccc32)c2ccccc2)cc1C ZINC000004913824 559203154 /nfs/dbraw/zinc/20/31/54/559203154.db2.gz RQOYJNFMCYBBQU-VWLOTQADSA-N 0 0 411.457 4.926 50 0 HJAARN CSc1cccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000004915387 559203533 /nfs/dbraw/zinc/20/35/33/559203533.db2.gz FCQTTYFVDKCRSC-JOCHJYFZSA-N 0 0 404.491 4.904 50 0 HJAARN Cc1oc(-c2ccc(C)cc2)nc1CSCC(=O)NCCCN(C)c1ccccc1 ZINC000004924649 559207645 /nfs/dbraw/zinc/20/76/45/559207645.db2.gz UBVJKEGQOJNQEP-UHFFFAOYSA-N 0 0 423.582 4.834 50 0 HJAARN Cc1nc(SCc2ccc(Br)cc2)n(C)c(=O)c1Cc1ccccc1 ZINC000004927615 559207992 /nfs/dbraw/zinc/20/79/92/559207992.db2.gz QLEQTHUWRDUIFA-UHFFFAOYSA-N 0 0 415.356 4.734 50 0 HJAARN CCC1=Nc2cc(C(=O)NCC(OC)OC)ccc2Sc2ccc(Cl)cc21 ZINC000004929873 559208932 /nfs/dbraw/zinc/20/89/32/559208932.db2.gz OODKQFMLTGCYKX-UHFFFAOYSA-N 0 0 404.919 4.684 50 0 HJAARN COc1ccc(OC)c(NC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)c1 ZINC000004930946 559209705 /nfs/dbraw/zinc/20/97/05/559209705.db2.gz SZKVOSPJNDCGDR-UHFFFAOYSA-N 0 0 411.458 4.780 50 0 HJAARN CCOC(=O)c1ccc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)cc1 ZINC000004930831 559209719 /nfs/dbraw/zinc/20/97/19/559209719.db2.gz IVHLRZSCSHNGAR-UHFFFAOYSA-N 0 0 405.479 4.800 50 0 HJAARN Cc1nn2c(nc(C)c(CCC(=O)NCc3ccccc3)c2C)c1-c1ccc(F)cc1 ZINC000004935398 559210319 /nfs/dbraw/zinc/21/03/19/559210319.db2.gz UXLOWVCUTFTBDM-UHFFFAOYSA-N 0 0 416.500 4.710 50 0 HJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3c(s2)c2ccccc2nc3Cl)C1 ZINC000004938228 559211397 /nfs/dbraw/zinc/21/13/97/559211397.db2.gz GOBWIRWOPDWTDT-GFCCVEGCSA-N 0 0 402.903 4.518 50 0 HJAARN COc1ccc(C(=O)c2cn(Cc3ccccc3F)c3ccc(F)cc3c2=O)cc1 ZINC000004936926 559212013 /nfs/dbraw/zinc/21/20/13/559212013.db2.gz YAEAGXZBZZTCEZ-UHFFFAOYSA-N 0 0 405.400 4.568 50 0 HJAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1ccc(F)cc1 ZINC000004937047 559212080 /nfs/dbraw/zinc/21/20/80/559212080.db2.gz PUVQPKXVBTZZLN-UHFFFAOYSA-N 0 0 401.437 4.819 50 0 HJAARN CC1(C)C[C@H](NC(=O)c2cccc(F)c2)C[C@](C)(CNC(=O)c2cccc(F)c2)C1 ZINC000004948403 559214773 /nfs/dbraw/zinc/21/47/73/559214773.db2.gz LDIXUERNYDPSEP-RDPSFJRHSA-N 0 0 414.496 4.710 50 0 HJAARN CCCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC ZINC000004969243 559218927 /nfs/dbraw/zinc/21/89/27/559218927.db2.gz GEYPLTZHNJVOSJ-UHFFFAOYSA-N 0 0 414.571 4.714 50 0 HJAARN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)COc1ccc(Cl)cc1Cl ZINC000004985489 559224435 /nfs/dbraw/zinc/22/44/35/559224435.db2.gz IXUKECKBYICCAE-QIIPPGSGSA-N 0 0 417.329 4.919 50 0 HJAARN COc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(OC)c2)cc1 ZINC000005007531 559226771 /nfs/dbraw/zinc/22/67/71/559226771.db2.gz XFAHQXMXVQUHES-UHFFFAOYSA-N 0 0 416.433 4.955 50 0 HJAARN Cc1ccc(N(CC(=O)Nc2ccc(C)cc2C)S(=O)(=O)c2cccs2)cc1 ZINC000005005369 559226955 /nfs/dbraw/zinc/22/69/55/559226955.db2.gz JXBHKQVJCLYRDC-UHFFFAOYSA-N 0 0 414.552 4.507 50 0 HJAARN COc1ccc2nc(N3C(=O)C(=Cc4ccc(Cl)cc4)NC3=S)sc2c1 ZINC000005025390 559230147 /nfs/dbraw/zinc/23/01/47/559230147.db2.gz CKEWJSWELSHRNM-ZSOIEALJSA-N 0 0 401.900 4.632 50 0 HJAARN CCOC(=O)c1c2c(sc1NC(=O)/C=C/C1=Cc3ccccc3OC1)CCCC2 ZINC000005034448 559231897 /nfs/dbraw/zinc/23/18/97/559231897.db2.gz XZGMBRUAGDFFQC-VAWYXSNFSA-N 0 0 409.507 4.774 50 0 HJAARN COc1ccccc1CNC(=O)CSCc1nc(-c2sccc2C)oc1C ZINC000005057725 559238057 /nfs/dbraw/zinc/23/80/57/559238057.db2.gz OSOBWRDUWNVUJE-UHFFFAOYSA-N 0 0 402.541 4.578 50 0 HJAARN O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1ccc2c(c1)OCCO2 ZINC000011708563 559240569 /nfs/dbraw/zinc/24/05/69/559240569.db2.gz GWHCMWFIQHGGKJ-UHFFFAOYSA-N 0 0 402.475 4.911 50 0 HJAARN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(C(=O)C(C)C)C2CCCCC2)o1 ZINC000005097406 559245096 /nfs/dbraw/zinc/24/50/96/559245096.db2.gz FYBWYJPRFGWYOJ-UHFFFAOYSA-N 0 0 424.585 4.977 50 0 HJAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccncc2)o1 ZINC000005100956 559245400 /nfs/dbraw/zinc/24/54/00/559245400.db2.gz SSXKPJCXHIZOQD-YLJYHZDGSA-N 0 0 410.271 4.988 50 0 HJAARN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccncc2)o1 ZINC000005100955 559245409 /nfs/dbraw/zinc/24/54/09/559245409.db2.gz SSXKPJCXHIZOQD-FXAWDEMLSA-N 0 0 410.271 4.988 50 0 HJAARN Cc1cc2sc(N3CCC(C(=O)NCCCc4ccccc4)CC3)nc2c(C)c1 ZINC000005106901 559245962 /nfs/dbraw/zinc/24/59/62/559245962.db2.gz VYQPWZPQPBALIM-UHFFFAOYSA-N 0 0 407.583 4.879 50 0 HJAARN CCCN1c2ccc(C)cc2[C@@H](Cc2nc3ccccc3c(=O)n2-c2ccccc2)C1=O ZINC000100632474 559246998 /nfs/dbraw/zinc/24/69/98/559246998.db2.gz GVNYBCABIUDOPO-JOCHJYFZSA-N 0 0 423.516 4.777 50 0 HJAARN Cc1ccc(-n2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)cc1 ZINC000005120116 559247656 /nfs/dbraw/zinc/24/76/56/559247656.db2.gz OSHJHACGGOIYRA-UHFFFAOYSA-N 0 0 400.482 4.954 50 0 HJAARN Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)COc1ccc(C)cc1 ZINC000005136941 559250025 /nfs/dbraw/zinc/25/00/25/559250025.db2.gz UHGBRFJXAIALRP-UHFFFAOYSA-N 0 0 400.931 4.818 50 0 HJAARN Cc1cc(C)c(S(=O)(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c(C)c1 ZINC000005137592 559251263 /nfs/dbraw/zinc/25/12/63/559251263.db2.gz BKBRHQXCUHPKEH-UHFFFAOYSA-N 0 0 420.987 4.910 50 0 HJAARN Cc1cc(C)c(S(=O)(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1C ZINC000005137591 559251294 /nfs/dbraw/zinc/25/12/94/559251294.db2.gz IUGDNIKCJCHGPP-UHFFFAOYSA-N 0 0 420.987 4.910 50 0 HJAARN CCOc1ccc(CCNC(=O)c2ccc3nc(N4CCC(C)CC4)sc3c2)cc1 ZINC000005145373 559252422 /nfs/dbraw/zinc/25/24/22/559252422.db2.gz BKZARMJVSQBJFK-UHFFFAOYSA-N 0 0 423.582 4.904 50 0 HJAARN O=C(NCCc1csc(-c2ccc(F)cc2)n1)c1cccc(Br)c1 ZINC000005146281 559252570 /nfs/dbraw/zinc/25/25/70/559252570.db2.gz CCGMFNBARFWZAK-UHFFFAOYSA-N 0 0 405.292 4.684 50 0 HJAARN CCn1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)n1 ZINC000011738152 559256667 /nfs/dbraw/zinc/25/66/67/559256667.db2.gz MDLJOFDWBZDZNH-UHFFFAOYSA-N 0 0 402.479 4.510 50 0 HJAARN CCc1ccc2nc(C(=O)OC)cc(Nc3cc(Cl)c(OC)cc3OC)c2c1 ZINC000038653220 559258208 /nfs/dbraw/zinc/25/82/08/559258208.db2.gz VRXOVGVZFFFNDT-UHFFFAOYSA-N 0 0 400.862 4.998 50 0 HJAARN CCCn1nc(NC(=O)c2cc(OC)cc(OC)c2)c2cc3cccc(C)c3nc21 ZINC000005156248 559258758 /nfs/dbraw/zinc/25/87/58/559258758.db2.gz JBQMYVMWKOYPSQ-UHFFFAOYSA-N 0 0 404.470 4.572 50 0 HJAARN COc1ccc(N(C)c2nnc(-c3ccc(NC(=O)c4ccco4)cc3)s2)cc1 ZINC000011797099 559259947 /nfs/dbraw/zinc/25/99/47/559259947.db2.gz CIDFFLRPWWNXBM-UHFFFAOYSA-N 0 0 406.467 4.827 50 0 HJAARN CN(C(=O)c1ccsc1)[C@H](Cc1ccccc1)C1CCN(C(=O)C2=CCCC2)CC1 ZINC000011814300 559260303 /nfs/dbraw/zinc/26/03/03/559260303.db2.gz RBHYFDMGVWBGQC-HSZRJFAPSA-N 0 0 422.594 4.780 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)CCc1csc(NC(=O)c2cccs2)n1 ZINC000011835227 559261074 /nfs/dbraw/zinc/26/10/74/559261074.db2.gz YGMIMXJRLBXBPZ-UHFFFAOYSA-N 0 0 421.931 4.690 50 0 HJAARN C[C@@H]1CCC[C@H](N2CC(=O)N(Cc3ccccc3)[C@H](c3ccc(F)cc3)C2=O)[C@H]1C ZINC000248152840 559265612 /nfs/dbraw/zinc/26/56/12/559265612.db2.gz KKJYDRMDMWYXQU-FUIFJNQPSA-N 0 0 408.517 4.563 50 0 HJAARN COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCC[C@H]1c1cccn1C ZINC000248158138 559265720 /nfs/dbraw/zinc/26/57/20/559265720.db2.gz WESZFEPIDFFJTJ-UPVQGACJSA-N 0 0 403.526 4.859 50 0 HJAARN Cc1cccc(OCC(=O)Nc2nc(-c3ccc(Br)cc3)ns2)c1C ZINC000011914852 559267700 /nfs/dbraw/zinc/26/77/00/559267700.db2.gz QZSUYQKBWYDLJY-UHFFFAOYSA-N 0 0 418.316 4.602 50 0 HJAARN CC[C@@H]1CCCCN1C(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000000753586 559278776 /nfs/dbraw/zinc/27/87/76/559278776.db2.gz JKIWAAJQBNUQRN-OAHLLOKOSA-N 0 0 402.420 4.820 50 0 HJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000137808849 559281040 /nfs/dbraw/zinc/28/10/40/559281040.db2.gz NZKIFBJQPKELTR-PCCBWWKXSA-N 0 0 422.843 4.530 50 0 HJAARN O=C(Nc1ccc(Cl)cc1)c1cccc(S(=O)(=O)Nc2cccc(F)c2)c1 ZINC000000832265 559282089 /nfs/dbraw/zinc/28/20/89/559282089.db2.gz QMHDIYFUNSUQKI-UHFFFAOYSA-N 0 0 404.850 4.532 50 0 HJAARN CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N[C@@H]3CCCc4ccccc43)o2)cc1 ZINC000005170156 559287515 /nfs/dbraw/zinc/28/75/15/559287515.db2.gz NPDGFNDSKBFXBT-FOIQADDNSA-N 0 0 423.538 4.810 50 0 HJAARN CCOc1ccc2nc(N3CCN(C(=O)c4cccc5ccccc54)CC3)sc2c1 ZINC000005181199 559289643 /nfs/dbraw/zinc/28/96/43/559289643.db2.gz WREYGXUDLSJZDV-UHFFFAOYSA-N 0 0 417.534 4.811 50 0 HJAARN Cc1cc(C(=O)COC(=O)c2ccc(Cl)c(N)c2)c(C)n1CCc1cccs1 ZINC000005185300 559290671 /nfs/dbraw/zinc/29/06/71/559290671.db2.gz AOEROBHIFQORIG-UHFFFAOYSA-N 0 0 416.930 4.684 50 0 HJAARN Cc1ccc(-c2nc3ccccc3c(=O)n2NC(=O)c2cccc(Cl)c2)cc1C ZINC000005198336 559292150 /nfs/dbraw/zinc/29/21/50/559292150.db2.gz YZENNMLCGNHXSJ-UHFFFAOYSA-N 0 0 403.869 4.718 50 0 HJAARN CC1=C(C(=O)O[C@@H]2CCC[C@@H]2C)[C@H](c2ccccc2OCc2ccccc2)NC(=O)N1 ZINC000101113021 560537835 /nfs/dbraw/zinc/53/78/35/560537835.db2.gz FAWXECJFJVYKRS-YBVWCTEOSA-N 0 0 420.509 4.625 50 0 HJAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)N(Cc1ccccc1)Cc1ccccc1 ZINC000005210366 560538912 /nfs/dbraw/zinc/53/89/12/560538912.db2.gz IVMOYOMEDSZNND-UHFFFAOYSA-N 0 0 414.534 4.793 50 0 HJAARN O=C(Nc1cc(F)c(F)c(F)c1)C(=O)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000078870054 560540502 /nfs/dbraw/zinc/54/05/02/560540502.db2.gz PUPUSJHNPFKFEW-FQEVSTJZSA-N 0 0 412.411 4.533 50 0 HJAARN CCCN(CC)c1ccc(C(=O)NCc2cccc(C(=O)Nc3ccncc3)c2)cc1 ZINC000078813469 560540846 /nfs/dbraw/zinc/54/08/46/560540846.db2.gz RJCVOFMSJJDZFK-UHFFFAOYSA-N 0 0 416.525 4.500 50 0 HJAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(F)cc1)N(CCCOC(C)C)C3=O ZINC000005215876 560543388 /nfs/dbraw/zinc/54/33/88/560543388.db2.gz UBWGBXYSYLEFEV-JOCHJYFZSA-N 0 0 423.484 4.909 50 0 HJAARN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccc(-c2ccccc2)cc1 ZINC000005233932 560547924 /nfs/dbraw/zinc/54/79/24/560547924.db2.gz YMXVZZUITCXAJX-VWLOTQADSA-N 0 0 412.489 4.626 50 0 HJAARN CC(=O)c1ccc(OC(=O)c2c(=O)[nH]nc(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000005237452 560548560 /nfs/dbraw/zinc/54/85/60/560548560.db2.gz DHCGSLBRVGRZBG-UHFFFAOYSA-N 0 0 410.429 4.526 50 0 HJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(F)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000005259079 560551249 /nfs/dbraw/zinc/55/12/49/560551249.db2.gz WWRXOARPMALRMX-UHFFFAOYSA-N 0 0 407.832 4.739 50 0 HJAARN COc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(Cl)cc2)cc1OC ZINC000005256262 560552511 /nfs/dbraw/zinc/55/25/11/560552511.db2.gz HSKOBKUKFOKHRM-OAQYLSRUSA-N 0 0 411.889 4.796 50 0 HJAARN CC[C@@H]1CCCCN1C(=O)Cn1cnc2scc(-c3ccc(C)c(C)c3)c2c1=O ZINC000005263657 560553186 /nfs/dbraw/zinc/55/31/86/560553186.db2.gz GHESZZCJRMSIPI-GOSISDBHSA-N 0 0 409.555 4.533 50 0 HJAARN O=C(CCCCCn1cnc2ccccc2c1=O)Nc1ccc(Cl)cc1Cl ZINC000005267986 560554481 /nfs/dbraw/zinc/55/44/81/560554481.db2.gz KTAHIUINDJLUDQ-UHFFFAOYSA-N 0 0 404.297 4.902 50 0 HJAARN Cc1oc2cc3oc(=O)c(CCC(=O)NCc4ccc(F)cc4)c(C)c3cc2c1C ZINC000002150191 560559139 /nfs/dbraw/zinc/55/91/39/560559139.db2.gz SDKSATPOIXBHOC-UHFFFAOYSA-N 0 0 407.441 4.853 50 0 biogenic HJAARN COc1ccccc1C(=O)Nc1cc(-c2nnc3c4ccccc4c(C)nn23)ccc1C ZINC000002388914 560559762 /nfs/dbraw/zinc/55/97/62/560559762.db2.gz JOGFEMBZYNHVLN-UHFFFAOYSA-N 0 0 423.476 4.822 50 0 HJAARN Cc1nc(C)c(C(=O)O[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)s1 ZINC000006367016 560560749 /nfs/dbraw/zinc/56/07/49/560560749.db2.gz BLUSJTGPXKEXDR-HNNXBMFYSA-N 0 0 410.495 4.523 50 0 HJAARN Cc1cc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(Cl)cc2)no1 ZINC000005305246 560563259 /nfs/dbraw/zinc/56/32/59/560563259.db2.gz MGIHRYBRIGSMMD-GOSISDBHSA-N 0 0 410.788 4.632 50 0 HJAARN COc1ccc(-c2nc3c(c(SCC(=O)c4ccccc4)n2)COC(C)(C)C3)cc1 ZINC000005305296 560563304 /nfs/dbraw/zinc/56/33/04/560563304.db2.gz WUAGCCWIYNNWSO-UHFFFAOYSA-N 0 0 420.534 4.979 50 0 HJAARN O=C(NC1CCCCCC1)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O ZINC000005305450 560563359 /nfs/dbraw/zinc/56/33/59/560563359.db2.gz TUEYVIVFQHWBQC-UHFFFAOYSA-N 0 0 409.917 4.551 50 0 HJAARN O=C(CSc1nc2cc(Cl)cnc2[nH]1)NC(c1ccccc1)c1ccccc1 ZINC000005310358 560563805 /nfs/dbraw/zinc/56/38/05/560563805.db2.gz CLHAKVZPQVQSOP-UHFFFAOYSA-N 0 0 408.914 4.609 50 0 HJAARN Cc1nn(-c2ccc(C)cc2)c2ncc(C(=O)NCCc3ccccc3)c(Cl)c12 ZINC000005314543 560564392 /nfs/dbraw/zinc/56/43/92/560564392.db2.gz MJVGNZIQKHSNLF-UHFFFAOYSA-N 0 0 404.901 4.663 50 0 HJAARN CCCCc1cc(=O)oc2c1ccc1c2CN(Cc2ccc(OC)cc2OC)CO1 ZINC000061997640 560565076 /nfs/dbraw/zinc/56/50/76/560565076.db2.gz AUGJIBHBZBLUGR-UHFFFAOYSA-N 0 0 409.482 4.505 50 0 biogenic HJAARN Cc1cccc(Cn2ccc3ccn(CC(=O)Nc4ccc(F)cc4Cl)c(=O)c32)c1 ZINC000062007346 560566485 /nfs/dbraw/zinc/56/64/85/560566485.db2.gz WMTKRQVKESWUJT-UHFFFAOYSA-N 0 0 423.875 4.591 50 0 HJAARN O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1ccc(F)c(Cl)c1 ZINC000005357919 560569574 /nfs/dbraw/zinc/56/95/74/560569574.db2.gz IVHCUBNEQSNKDN-UHFFFAOYSA-N 0 0 408.911 4.865 50 0 HJAARN CCc1cc2c(CSc3nnc(C)n3-c3cccc(C)c3)cc(=O)oc2cc1O ZINC000005359484 560571519 /nfs/dbraw/zinc/57/15/19/560571519.db2.gz GMUCPEKTCQNLON-UHFFFAOYSA-N 0 0 407.495 4.551 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(Cc2cccs2)n1C1CC1 ZINC000005360000 560571582 /nfs/dbraw/zinc/57/15/82/560571582.db2.gz BCEOQJWYQSMFDQ-UHFFFAOYSA-N 0 0 418.975 4.958 50 0 HJAARN COc1cc(/C=C\C(=O)Nc2ccnn2Cc2cccc(C)c2)ccc1OC(C)C ZINC000206592069 560572900 /nfs/dbraw/zinc/57/29/00/560572900.db2.gz GTHIFSXQDKLQJH-LUAWRHEFSA-N 0 0 405.498 4.688 50 0 HJAARN COc1ccc(-c2nc(CSc3nnc(C4CC4)n3C3CC3)cs2)cc1OC ZINC000005401429 560583830 /nfs/dbraw/zinc/58/38/30/560583830.db2.gz VYJXZIAFHLXGRL-UHFFFAOYSA-N 0 0 414.556 4.923 50 0 HJAARN Cc1cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)n1Cc1ccccc1 ZINC000005401290 560583861 /nfs/dbraw/zinc/58/38/61/560583861.db2.gz KITQWLOZKYFDLL-UHFFFAOYSA-N 0 0 406.555 4.932 50 0 HJAARN CCOc1ccc(C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1OCC ZINC000005414153 560584598 /nfs/dbraw/zinc/58/45/98/560584598.db2.gz AQRRVTTUADGEHZ-ILZDJORESA-N 0 0 406.519 4.645 50 0 HJAARN COc1cccc(-c2c(=O)c3ccccc3n(C)c2NC(=O)c2ccc(F)cc2)c1 ZINC000005427399 560585733 /nfs/dbraw/zinc/58/57/33/560585733.db2.gz PENYCRVKZBZRIT-UHFFFAOYSA-N 0 0 402.425 4.606 50 0 HJAARN Cc1sc2nc(C)nc(S[C@@H](C)C(=O)Nc3ccc4c(c3)OCCO4)c2c1C ZINC000005428955 560586284 /nfs/dbraw/zinc/58/62/84/560586284.db2.gz FVRHRHLORAFHAW-LBPRGKRZSA-N 0 0 415.540 4.507 50 0 HJAARN COc1cc2c(cc1OC)CN(C(=O)Cc1coc3ccc4ccccc4c13)CC2 ZINC000002640500 560586739 /nfs/dbraw/zinc/58/67/39/560586739.db2.gz XPNLVRHELVRSFL-UHFFFAOYSA-N 0 0 401.462 4.731 50 0 HJAARN Cc1c(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c(=O)n(-c2ccccc2)n1C ZINC000003236423 560590391 /nfs/dbraw/zinc/59/03/91/560590391.db2.gz FHSKVQSMCXDLGJ-UHFFFAOYSA-N 0 0 409.917 4.588 50 0 HJAARN C[C@H](NC(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1ccccc1 ZINC000003275523 560591271 /nfs/dbraw/zinc/59/12/71/560591271.db2.gz DVIIXVHWFKZWHD-SFHVURJKSA-N 0 0 410.473 4.936 50 0 HJAARN CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)c1C ZINC000003289485 560591648 /nfs/dbraw/zinc/59/16/48/560591648.db2.gz GCWJOEAQUVPYBT-UHFFFAOYSA-N 0 0 414.408 4.503 50 0 HJAARN COc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccs2)cc1 ZINC000003327161 560592523 /nfs/dbraw/zinc/59/25/23/560592523.db2.gz HRMADWOJBNEYAN-JOCHJYFZSA-N 0 0 424.522 4.954 50 0 HJAARN CN(C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)C1CCCCC1 ZINC000003402388 560594180 /nfs/dbraw/zinc/59/41/80/560594180.db2.gz PZNLUBIDADZITK-UHFFFAOYSA-N 0 0 400.592 4.663 50 0 HJAARN CCCc1nc2sc3c(nc(SC)nc3N[C@@H](CC)CO)c2c2c1CCC2 ZINC000005478010 560594917 /nfs/dbraw/zinc/59/49/17/560594917.db2.gz UBFPVKHCTYWDFI-NSHDSACASA-N 0 0 402.589 4.585 50 0 HJAARN COc1ccc([C@@]2(C(=O)Nc3c(C)cccc3C)CC(=O)N2c2ccccc2)cc1 ZINC000005484121 560596798 /nfs/dbraw/zinc/59/67/98/560596798.db2.gz GXLKBZFVHYUVNL-RUZDIDTESA-N 0 0 400.478 4.583 50 0 HJAARN Cc1oc2cc(OCC(=O)N3CCc4ccccc43)ccc2c(=O)c1-c1ccccc1 ZINC000005497845 560598189 /nfs/dbraw/zinc/59/81/89/560598189.db2.gz OWGXCVUJSYECFP-UHFFFAOYSA-N 0 0 411.457 4.737 50 0 HJAARN Clc1ccc2c(c1)C1=C([C@@H](c3ccccc3)O2)[C@@H](c2cccnc2)N2NC=NC2=N1 ZINC000005516448 560604388 /nfs/dbraw/zinc/60/43/88/560604388.db2.gz BCWVHXCPRQTUQB-FGZHOGPDSA-N 0 0 413.868 4.539 50 0 HJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccnc2)N1CCc1ccccc1 ZINC000005516542 560604499 /nfs/dbraw/zinc/60/44/99/560604499.db2.gz DBQLRILGINIUFU-OAQYLSRUSA-N 0 0 416.864 4.629 50 0 HJAARN CC(C)=CC(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC(=O)c1ccc[nH]1 ZINC000004801604 560608843 /nfs/dbraw/zinc/60/88/43/560608843.db2.gz DMQINRNPJVBZOU-UHFFFAOYSA-N 0 0 408.479 4.688 50 0 HJAARN COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000005559628 560611395 /nfs/dbraw/zinc/61/13/95/560611395.db2.gz DCKIPAMWIAVWOC-HSZRJFAPSA-N 0 0 413.477 4.629 50 0 HJAARN CCCCn1nc(NC(=O)c2ccc(OC)cc2)c2cc3cc(OC)ccc3nc21 ZINC000005577027 560624731 /nfs/dbraw/zinc/62/47/31/560624731.db2.gz RBMQCMDLHNIAEO-UHFFFAOYSA-N 0 0 404.470 4.654 50 0 HJAARN CCOc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2ccc(OC)cc2)c(O)c1 ZINC000005576894 560624761 /nfs/dbraw/zinc/62/47/61/560624761.db2.gz BKEVRTQPWISOMS-UHFFFAOYSA-N 0 0 405.376 4.525 50 0 HJAARN CCCCOc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc(Cl)cc2)cc1 ZINC000005597237 560628489 /nfs/dbraw/zinc/62/84/89/560628489.db2.gz JJPFCMDEIBEEPC-IBGZPJMESA-N 0 0 411.976 4.955 50 0 HJAARN Cc1cc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)n(-c2ccccn2)n1 ZINC000005603785 560629698 /nfs/dbraw/zinc/62/96/98/560629698.db2.gz GGCNXRWMNUTLNG-UHFFFAOYSA-N 0 0 414.494 4.537 50 0 HJAARN Cc1nnc(SCC(=O)c2ccc(Br)s2)n1-c1ccccc1C ZINC000005619831 560631036 /nfs/dbraw/zinc/63/10/36/560631036.db2.gz MXDXDJMGBZKHOT-UHFFFAOYSA-N 0 0 408.346 4.683 50 0 HJAARN COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccccc3OCc3ccccc3)O2)cc1 ZINC000005631803 560634982 /nfs/dbraw/zinc/63/49/82/560634982.db2.gz AQWLJKQZQOGJMO-XMMPIXPASA-N 0 0 402.450 4.513 50 0 HJAARN Cc1ccccc1NC(=O)Cc1nc(COC(=O)C[C@H](C)c2ccccc2)cs1 ZINC000008754575 560638333 /nfs/dbraw/zinc/63/83/33/560638333.db2.gz MVDNRZLAJDVTFB-KRWDZBQOSA-N 0 0 408.523 4.870 50 0 HJAARN Cc1cc(C(=O)CSc2nnc(-c3ccccc3F)n2CC(C)C)c(C)n1C ZINC000008751304 560638350 /nfs/dbraw/zinc/63/83/50/560638350.db2.gz AQMXQLFUZZVYJY-UHFFFAOYSA-N 0 0 400.523 4.671 50 0 HJAARN C[C@H]1CCCN(c2nc3c(cnn3-c3ccccc3)c(Nc3ccc(F)cc3)n2)C1 ZINC000017245748 560705488 /nfs/dbraw/zinc/70/54/88/560705488.db2.gz IBLXPJGIPVKXMB-INIZCTEOSA-N 0 0 402.477 4.935 50 0 HJAARN CCCCc1ccc(NC(=O)Cc2csc(NC(=O)NC3CCCC3)n2)cc1 ZINC000017271262 560706702 /nfs/dbraw/zinc/70/67/02/560706702.db2.gz LKVGHNODEVOQGV-UHFFFAOYSA-N 0 0 400.548 4.731 50 0 HJAARN CCOCCCNc1nc2c(cnn2-c2ccccc2)c(Nc2ccccc2C)n1 ZINC000017306915 560707462 /nfs/dbraw/zinc/70/74/62/560707462.db2.gz YRWIBGIKLLPOJF-UHFFFAOYSA-N 0 0 402.502 4.706 50 0 HJAARN CCOc1ccc(Nc2nc(N3CCCCC3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017308014 560707709 /nfs/dbraw/zinc/70/77/09/560707709.db2.gz OIMAYUQUDMMWMP-UHFFFAOYSA-N 0 0 414.513 4.948 50 0 HJAARN CCOc1ccccc1C(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 ZINC000017315878 560708356 /nfs/dbraw/zinc/70/83/56/560708356.db2.gz ZCVUHVWGTINVLT-UHFFFAOYSA-N 0 0 400.478 4.931 50 0 HJAARN CN(C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1)C1CCCCC1 ZINC000017357103 560709892 /nfs/dbraw/zinc/70/98/92/560709892.db2.gz QADDUAQLVOOLRX-UHFFFAOYSA-N 0 0 424.925 4.685 50 0 HJAARN COCc1c(C(=O)OCc2nc(-c3ccc(C)cc3)no2)sc2cccc(F)c21 ZINC000017938118 560730780 /nfs/dbraw/zinc/73/07/80/560730780.db2.gz UMYQZPTVFYJPGC-UHFFFAOYSA-N 0 0 412.442 4.902 50 0 HJAARN Cc1ccc(NNC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)cc1Cl ZINC000084183073 560735408 /nfs/dbraw/zinc/73/54/08/560735408.db2.gz CHICGTRDLALNNC-CQSZACIVSA-N 0 0 400.935 4.618 50 0 HJAARN CC(C)Cn1c(SCC(=O)Nc2cccc(O)c2)nnc1-c1ccc(Cl)cc1 ZINC000009426846 560759054 /nfs/dbraw/zinc/75/90/54/560759054.db2.gz UFTKZRWNSPQBHR-UHFFFAOYSA-N 0 0 416.934 4.691 50 0 HJAARN CN(CC(=O)Nc1ccccc1Br)C(=O)c1cc(Cl)sc1Cl ZINC000018019948 560769775 /nfs/dbraw/zinc/76/97/75/560769775.db2.gz PTNNPCGYKGUMNV-UHFFFAOYSA-N 0 0 422.131 4.528 50 0 HJAARN COc1ccc2nc(-c3ccc(OC)c(NC(=O)c4ccc5ccccc5c4)c3)cn2n1 ZINC000011693455 560773663 /nfs/dbraw/zinc/77/36/63/560773663.db2.gz CWJPALXQAUEEKU-UHFFFAOYSA-N 0 0 424.460 4.819 50 0 HJAARN CCOC(=O)Cc1csc(Sc2nc(C)nc3sc4c(c32)CCCC4)n1 ZINC000018055926 560774171 /nfs/dbraw/zinc/77/41/71/560774171.db2.gz BRCJRSGYMFEOMW-UHFFFAOYSA-N 0 0 405.570 4.592 50 0 HJAARN CCOc1cc(=O)n2c(c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CCCC2 ZINC000583648735 560778956 /nfs/dbraw/zinc/77/89/56/560778956.db2.gz BFMVDFFRYWXTGR-UHFFFAOYSA-N 0 0 414.811 4.508 50 0 HJAARN CN1c2cc(C(=O)Nc3ccc(Cl)cc3Cl)ccc2C(=O)N2CCCC[C@@H]12 ZINC000583649035 560779268 /nfs/dbraw/zinc/77/92/68/560779268.db2.gz NYBHNWMAJIPEJD-SFHVURJKSA-N 0 0 404.297 4.648 50 0 HJAARN CCC(CC)c1nnc(NC(=O)C2=NN(c3ccc(C)c(Cl)c3)C(=O)CC2)s1 ZINC000014775067 560781346 /nfs/dbraw/zinc/78/13/46/560781346.db2.gz XRJHSMFQCPVKGS-UHFFFAOYSA-N 0 0 419.938 4.525 50 0 HJAARN CCNc1c2ccccc2oc(=O)c1NC(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000101094734 560785416 /nfs/dbraw/zinc/78/54/16/560785416.db2.gz MDSAVXFVGSWDCM-UHFFFAOYSA-N 0 0 417.849 4.539 50 0 HJAARN CCOc1ccc(-c2c(C)nn3c2[nH]c(C)c(N2CCC(C)CC2)c3=O)cc1OCC ZINC000101438454 560794980 /nfs/dbraw/zinc/79/49/80/560794980.db2.gz MTWRISRMKHCGMP-UHFFFAOYSA-N 0 0 424.545 4.752 50 0 HJAARN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000101593781 560797271 /nfs/dbraw/zinc/79/72/71/560797271.db2.gz XQDLIZUHBWFDEL-OKILXGFUSA-N 0 0 406.313 4.535 50 0 HJAARN Cc1cccc(C(=O)Nc2nc3n(n2)[C@@H](c2ccccc2)CC(c2ccccc2)=N3)c1 ZINC000101835174 560803285 /nfs/dbraw/zinc/80/32/85/560803285.db2.gz SVLVPGLSVCENPS-JOCHJYFZSA-N 0 0 407.477 4.895 50 0 HJAARN Cc1cc2c(cc1C)N(CC(=O)N[C@@H](C)CCc1ccccc1)C(=O)[C@@H]1CCCC1=N2 ZINC000101946077 560805464 /nfs/dbraw/zinc/80/54/64/560805464.db2.gz FPSJRSDGWVVSKE-PZJWPPBQSA-N 0 0 417.553 4.660 50 0 HJAARN CCOc1ccc(NC(=O)CN2c3cc(C)c(C)cc3N=C3CCC[C@@H]3C2=O)cc1 ZINC000101946282 560805620 /nfs/dbraw/zinc/80/56/20/560805620.db2.gz LKQXOAQTXSHVFG-IBGZPJMESA-N 0 0 405.498 4.560 50 0 HJAARN O=C(CN1c2ccccc2N=C(c2ccc(F)cc2)CC1=O)Nc1cccc(Cl)c1 ZINC000102529752 560813058 /nfs/dbraw/zinc/81/30/58/560813058.db2.gz NQHXIBWCJOBXBN-UHFFFAOYSA-N 0 0 421.859 4.975 50 0 HJAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cccc(F)c3)C(=O)C2)cc1C ZINC000102530038 560813169 /nfs/dbraw/zinc/81/31/69/560813169.db2.gz XLBIXIPENXCRQO-UHFFFAOYSA-N 0 0 415.468 4.939 50 0 HJAARN Cc1cccn(C(=O)/C=C/c2ccc(F)cc2)/c1=N/C(=O)/C=C/c1ccc(F)cc1 ZINC000102541553 560814459 /nfs/dbraw/zinc/81/44/59/560814459.db2.gz MNXMCEZAOKZVTC-OHTZQUBTSA-N 0 0 404.416 4.569 50 0 HJAARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccccc3C)C2)cc1OC ZINC000102656898 560819104 /nfs/dbraw/zinc/81/91/04/560819104.db2.gz NZCIRJWRJSEJSZ-HJPURHCSSA-N 0 0 416.481 4.669 50 0 HJAARN CCSc1nc2n(n1)[C@H](c1ccc(OC)c(OC)c1)C1C(=O)CC(C)(C)CC1=N2 ZINC000102665222 560819399 /nfs/dbraw/zinc/81/93/99/560819399.db2.gz ASKFCEHWULLGRB-GOSISDBHSA-N 0 0 414.531 4.715 50 0 HJAARN CCOc1cc([C@@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ncnn32)ccc1O ZINC000102666889 560819453 /nfs/dbraw/zinc/81/94/53/560819453.db2.gz XSEYJTCYBFNJAJ-GAJHUEQPSA-N 0 0 416.481 4.756 50 0 HJAARN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccncc2)o1 ZINC000102725941 560821728 /nfs/dbraw/zinc/82/17/28/560821728.db2.gz SSXKPJCXHIZOQD-XLIONFOSSA-N 0 0 410.271 4.988 50 0 HJAARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3cccc(F)c3F)C2)cc1 ZINC000102735693 560822869 /nfs/dbraw/zinc/82/28/69/560822869.db2.gz OPGRRHOGBQABHO-YUNKPMOVSA-N 0 0 424.407 4.985 50 0 HJAARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3cccc(F)c3F)C2)cc1 ZINC000102735695 560822891 /nfs/dbraw/zinc/82/28/91/560822891.db2.gz OPGRRHOGBQABHO-ODXCJYRJSA-N 0 0 424.407 4.985 50 0 HJAARN Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc(Cl)c4)[C@H]3C2=O)c1 ZINC000102736839 560823375 /nfs/dbraw/zinc/82/33/75/560823375.db2.gz GVADMOBWKCUKNK-BHIFYINESA-N 0 0 418.880 4.700 50 0 HJAARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3ccccc3OC)C2)cc1 ZINC000102738151 560824699 /nfs/dbraw/zinc/82/46/99/560824699.db2.gz NLIBSMCBAQQREL-QKKBWIMNSA-N 0 0 418.453 4.716 50 0 HJAARN FC(F)Oc1ccc(C2=Nc3ncnn3[C@H](c3ccccc3OC(F)F)C2)cc1 ZINC000102799906 560828284 /nfs/dbraw/zinc/82/82/84/560828284.db2.gz VPRFCGRCSFPUEX-HNNXBMFYSA-N 0 0 406.339 4.537 50 0 HJAARN O=C(OCc1nc(-c2ccc(OC(F)(F)F)cc2)no1)c1c(F)cccc1Cl ZINC000051315273 560855840 /nfs/dbraw/zinc/85/58/40/560855840.db2.gz RTYHQZHIZCTYRV-UHFFFAOYSA-N 0 0 416.714 4.785 50 0 HJAARN Cc1ccc(NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)c(Cl)c1 ZINC000051317167 560857188 /nfs/dbraw/zinc/85/71/88/560857188.db2.gz YIZPVBWMWBUTMB-UHFFFAOYSA-N 0 0 410.905 4.549 50 0 HJAARN CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)C=Cc2cccc3cccnc23)cc1 ZINC000014855212 560871433 /nfs/dbraw/zinc/87/14/33/560871433.db2.gz INPKQNZQCONXMH-VMEIHUARSA-N 0 0 416.477 4.801 50 0 HJAARN COc1cc2c(cc1OC)[C@H]([C@H](C)NC(=O)CC(C)C)N(Cc1cccc(C)c1)CC2 ZINC000105750042 560877368 /nfs/dbraw/zinc/87/73/68/560877368.db2.gz OLZMJHFNJLMXNH-SIBVEZHUSA-N 0 0 424.585 4.662 50 0 HJAARN CSc1cccc(NC(=O)NCCn2c(-c3ccccc3)nc3cccnc32)c1 ZINC000046913770 560878973 /nfs/dbraw/zinc/87/89/73/560878973.db2.gz CDDYJORFWNAJFD-UHFFFAOYSA-N 0 0 403.511 4.642 50 0 HJAARN c1coc(-c2nnc(SCc3nc(-c4ccccc4)no3)n2-c2ccccc2)c1 ZINC000002861859 560885787 /nfs/dbraw/zinc/88/57/87/560885787.db2.gz CKYNDFOFTXUQDJ-UHFFFAOYSA-N 0 0 401.451 4.870 50 0 HJAARN COc1ccc(/C=C2/SC(=O)N(CCOc3ccc4c(c3)CCCC4)C2=O)cc1 ZINC000003185498 560886748 /nfs/dbraw/zinc/88/67/48/560886748.db2.gz FDIZSFQWAHDXFR-KGENOOAVSA-N 0 0 409.507 4.689 50 0 HJAARN CCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000012063001 560888261 /nfs/dbraw/zinc/88/82/61/560888261.db2.gz JACIYACCCUMGBS-CQSZACIVSA-N 0 0 415.877 4.812 50 0 HJAARN CC(C)OC(=O)Cn1c2ccccc2nc1SCCOc1ccccc1Cl ZINC000012062277 560888299 /nfs/dbraw/zinc/88/82/99/560888299.db2.gz KLGLSYSIRMUJTL-UHFFFAOYSA-N 0 0 404.919 4.812 50 0 HJAARN Cc1cc(OCC(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)ccc1Cl ZINC000012111459 560889237 /nfs/dbraw/zinc/88/92/37/560889237.db2.gz QINWEKNALZDMDF-UHFFFAOYSA-N 0 0 401.850 4.503 50 0 HJAARN CC(C)Oc1ccc(-c2nonc2NC(=O)c2ccccc2Br)cc1 ZINC000012111528 560889357 /nfs/dbraw/zinc/88/93/57/560889357.db2.gz YAHPLOWIQKBZOP-UHFFFAOYSA-N 0 0 402.248 4.539 50 0 HJAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCc4sccc4C3)cc12 ZINC000012213996 560892287 /nfs/dbraw/zinc/89/22/87/560892287.db2.gz BPUDGIWWSCBPNT-UHFFFAOYSA-N 0 0 411.527 4.854 50 0 HJAARN Cc1ccc(C(=O)N[C@H](c2nc(-c3ccc(Br)cc3)no2)C(C)C)cc1 ZINC000107151475 560895715 /nfs/dbraw/zinc/89/57/15/560895715.db2.gz JKUCTZOZICWBKF-KRWDZBQOSA-N 0 0 414.303 4.935 50 0 HJAARN O=C(Nc1nc(CSCc2ccc(F)cc2)cs1)c1ccc2c(c1)OCO2 ZINC000012230212 560896067 /nfs/dbraw/zinc/89/60/67/560896067.db2.gz DJYZPLZTHJYASY-UHFFFAOYSA-N 0 0 402.472 4.697 50 0 HJAARN CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2c3ccccc3nc3c2CCCC3)c1 ZINC000005753297 568419162 /nfs/dbraw/zinc/41/91/62/568419162.db2.gz CIVKQWWCNYYFRC-MRXNPFEDSA-N 0 0 416.477 4.500 50 0 HJAARN CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000045767920 568420901 /nfs/dbraw/zinc/42/09/01/568420901.db2.gz RUOYVROGPDHYGU-VQTJNVASSA-N 0 0 405.325 4.924 50 0 HJAARN CC(=O)N[C@@H](CC(=O)N1CCC[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000045767924 568420917 /nfs/dbraw/zinc/42/09/17/568420917.db2.gz RUOYVROGPDHYGU-PMACEKPBSA-N 0 0 405.325 4.924 50 0 HJAARN O=C(CCC(=O)c1ccc(F)cc1)OCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000005753998 568421474 /nfs/dbraw/zinc/42/14/74/568421474.db2.gz ZDCFIXNFEQWIBN-UHFFFAOYSA-N 0 0 417.521 4.826 50 0 HJAARN COC(=O)c1ccc([C@H]2C(c3ccccc3)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000045942045 568422245 /nfs/dbraw/zinc/42/22/45/568422245.db2.gz OJSIMDTWFWWXPV-QHCPKHFHSA-N 0 0 413.473 4.569 50 0 HJAARN COc1ccc(CCN2C(=O)C(=O)C(c3ccccc3)[C@H]2c2ccccc2)cc1OC ZINC000045941800 568422265 /nfs/dbraw/zinc/42/22/65/568422265.db2.gz MALVJLITARFKMV-XMMPIXPASA-N 0 0 415.489 4.799 50 0 HJAARN Cc1ccc(-c2noc(-c3ccccc3OCC(=O)N(C)Cc3ccccc3)n2)cc1 ZINC000046012174 568423362 /nfs/dbraw/zinc/42/33/62/568423362.db2.gz VEUIGIDLOJRMIW-UHFFFAOYSA-N 0 0 413.477 4.749 50 0 HJAARN Cc1ccc(-c2noc(-c3ccccc3OCC(=O)N[C@H](C)c3ccccc3)n2)cc1 ZINC000046012201 568423387 /nfs/dbraw/zinc/42/33/87/568423387.db2.gz YFKSJMPGXMVKFD-GOSISDBHSA-N 0 0 413.477 4.968 50 0 HJAARN CC(C)c1noc(-c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000046012511 568423498 /nfs/dbraw/zinc/42/34/98/568423498.db2.gz KLWGZXNPNUSQNL-UHFFFAOYSA-N 0 0 405.376 4.896 50 0 HJAARN O=C(Nc1ccccc1Cl)[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000046044001 568424822 /nfs/dbraw/zinc/42/48/22/568424822.db2.gz PTIJSVJHPITNEZ-AWEZNQCLSA-N 0 0 410.823 4.850 50 0 HJAARN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3C(F)(F)F)C2)c1 ZINC000046045377 568425137 /nfs/dbraw/zinc/42/51/37/568425137.db2.gz LJLMZTBMKDPTRM-INIZCTEOSA-N 0 0 404.432 4.813 50 0 HJAARN COc1ccccc1C(=O)c1cn(Cc2cccc(Cl)c2)c2nc(C)ccc2c1=O ZINC000046053785 568425465 /nfs/dbraw/zinc/42/54/65/568425465.db2.gz BKXPIMHFIVCGBZ-UHFFFAOYSA-N 0 0 418.880 4.646 50 0 HJAARN COc1cccc(Cn2cc(C(=O)c3ccc(C)cc3C)c(=O)c3ccc(C)nc32)c1 ZINC000046053801 568425572 /nfs/dbraw/zinc/42/55/72/568425572.db2.gz KBLSFAUZQWOWFQ-UHFFFAOYSA-N 0 0 412.489 4.610 50 0 HJAARN Cc1ccc(NC(=O)N2CCN(c3nc4ccccc4n4cccc34)CC2)cc1Cl ZINC000046046775 568425757 /nfs/dbraw/zinc/42/57/57/568425757.db2.gz JJRFVFMZLPIXHL-UHFFFAOYSA-N 0 0 419.916 4.803 50 0 HJAARN CCOc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)cc1 ZINC000046056609 568425879 /nfs/dbraw/zinc/42/58/79/568425879.db2.gz HYIAIZPIFPVXHX-GOSISDBHSA-N 0 0 409.873 4.542 50 0 HJAARN CCc1ccc(NC(=O)c2cc3cc(N(CC)S(C)(=O)=O)ccc3s2)cc1 ZINC000046058189 568426348 /nfs/dbraw/zinc/42/63/48/568426348.db2.gz XCGGGZPKQSLTFZ-UHFFFAOYSA-N 0 0 402.541 4.502 50 0 HJAARN CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)C(=O)Nc1ccccc1O2 ZINC000046077380 568427399 /nfs/dbraw/zinc/42/73/99/568427399.db2.gz CNYLCDRDZXUCHW-UHFFFAOYSA-N 0 0 414.870 4.523 50 0 HJAARN Cc1cccc(C)c1-n1nnnc1C1(Nc2ccc3c(c2)OCCO3)CCC(C)CC1 ZINC000046078081 568427426 /nfs/dbraw/zinc/42/74/26/568427426.db2.gz CENKDUMFLFPEON-UHFFFAOYSA-N 0 0 419.529 4.568 50 0 HJAARN O=C(NCc1ccccc1)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 ZINC000046078767 568427591 /nfs/dbraw/zinc/42/75/91/568427591.db2.gz MNOGMVCZUDTIDS-UHFFFAOYSA-N 0 0 404.897 4.863 50 0 HJAARN CCc1nc2sc(C(=O)NCc3ccc(F)cc3C(F)(F)F)c(C)c2c(C)n1 ZINC000048263289 568433752 /nfs/dbraw/zinc/43/37/52/568433752.db2.gz JHNMJSGMTIMKNX-UHFFFAOYSA-N 0 0 411.424 4.958 50 0 HJAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cccc(-n3ccnc3SC)c2)c1 ZINC000048272949 568434000 /nfs/dbraw/zinc/43/40/00/568434000.db2.gz PQCCKGMCAMRUGY-HXUWFJFHSA-N 0 0 423.538 4.589 50 0 HJAARN Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)N(Cc2ccccn2)C(C)C)cc1 ZINC000048276440 568435598 /nfs/dbraw/zinc/43/55/98/568435598.db2.gz LEVASOCJYQGOHS-UHFFFAOYSA-N 0 0 413.525 4.542 50 0 HJAARN COc1cc(NC(=O)N2CCC[C@H]2c2ccsc2)ccc1NC(=O)c1cccnc1 ZINC000048278525 568435787 /nfs/dbraw/zinc/43/57/87/568435787.db2.gz UOEQWEFYZNIQIP-IBGZPJMESA-N 0 0 422.510 4.773 50 0 HJAARN COCc1ccc(C(=O)N(C)CCCCCc2cc(-c3cccc(F)c3)n[nH]2)cc1 ZINC000048309352 568436368 /nfs/dbraw/zinc/43/63/68/568436368.db2.gz CWSWJEZELUJSEZ-UHFFFAOYSA-N 0 0 409.505 4.847 50 0 HJAARN CCCCCCN(CCN1CCOCC1)C(=O)c1sc(-c2ccsc2)nc1C ZINC000048309251 568436383 /nfs/dbraw/zinc/43/63/83/568436383.db2.gz FARFRSOYORSPEP-UHFFFAOYSA-N 0 0 421.632 4.535 50 0 HJAARN CN(Cc1nc2ccccc2n1C(F)F)Cn1nc(-c2cccs2)[nH]c1=S ZINC000048310554 568436656 /nfs/dbraw/zinc/43/66/56/568436656.db2.gz UAAFWWIYGJQZJH-UHFFFAOYSA-N 0 0 406.487 4.503 50 0 HJAARN Cc1ccc(OCCC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c(C)c1 ZINC000048299972 568437225 /nfs/dbraw/zinc/43/72/25/568437225.db2.gz MQCUAOYLEVMHRI-JOCHJYFZSA-N 0 0 403.526 4.511 50 0 HJAARN COc1ccc(Oc2ccc(CNC(=O)c3cc4ccc(F)cc4nc3C)cn2)cc1 ZINC000048300240 568437318 /nfs/dbraw/zinc/43/73/18/568437318.db2.gz NKTILBSODGBCED-UHFFFAOYSA-N 0 0 417.440 4.808 50 0 HJAARN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CCCc4c(F)cc(F)cc43)c12 ZINC000048301765 568437604 /nfs/dbraw/zinc/43/76/04/568437604.db2.gz CZFAWSPWCUGRGI-UHFFFAOYSA-N 0 0 418.447 4.815 50 0 HJAARN COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1ncc(-c2ccccc2)s1 ZINC000048340791 568440419 /nfs/dbraw/zinc/44/04/19/568440419.db2.gz KTVUQBOGHICRGJ-UHFFFAOYSA-N 0 0 410.495 4.819 50 0 HJAARN O=C(c1cccc(CS(=O)(=O)c2ccccc2)c1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000048354689 568441095 /nfs/dbraw/zinc/44/10/95/568441095.db2.gz ATLVPWCZVDKBHC-HSZRJFAPSA-N 0 0 423.509 4.777 50 0 HJAARN O=C(NCc1ccc(C(=O)N2CCCC2)cc1)N[C@@H](c1cccs1)C1CCCC1 ZINC000048481327 568442959 /nfs/dbraw/zinc/44/29/59/568442959.db2.gz KBVPWLCXRDDWNJ-OAQYLSRUSA-N 0 0 411.571 4.715 50 0 HJAARN O=C(Nc1ccc(I)cc1)Nc1ccccc1C(F)(F)F ZINC000048816294 568443498 /nfs/dbraw/zinc/44/34/98/568443498.db2.gz VQZFTFYXTXCAHN-UHFFFAOYSA-N 0 0 406.145 4.954 50 0 HJAARN Cc1ccc2c(ncc(C(=O)N3CCSCC3)c2Nc2ccc(Cl)c(F)c2)n1 ZINC000049004965 568444368 /nfs/dbraw/zinc/44/43/68/568444368.db2.gz OOBOJIDPJZZDAA-UHFFFAOYSA-N 0 0 416.909 4.663 50 0 HJAARN COc1ccc(Nc2c(C(=O)N3CCCC[C@H]3C)cnc3nc(C)ccc32)cc1OC ZINC000049005199 568444432 /nfs/dbraw/zinc/44/44/32/568444432.db2.gz ABEQPFCQRZSIEY-MRXNPFEDSA-N 0 0 420.513 4.714 50 0 HJAARN COc1cc(Nc2c(C(=O)N3CCC(C)CC3)cnc3nc(C)ccc32)cc(OC)c1 ZINC000049005474 568444567 /nfs/dbraw/zinc/44/45/67/568444567.db2.gz PUVQIKCJLSSRBP-UHFFFAOYSA-N 0 0 420.513 4.571 50 0 HJAARN CC(=O)c1ccc(Nc2c(C(=O)N3CCC(C)CC3)cnc3nc(C)ccc32)cc1 ZINC000049005452 568444579 /nfs/dbraw/zinc/44/45/79/568444579.db2.gz NHCLWBGEXLREFS-UHFFFAOYSA-N 0 0 402.498 4.757 50 0 HJAARN O=C(CC(c1ccccc1)c1ccccc1)N1CC(c2nc(-c3ccccc3)no2)C1 ZINC000049031907 568445891 /nfs/dbraw/zinc/44/58/91/568445891.db2.gz LQHFEUZMTQQQJY-UHFFFAOYSA-N 0 0 409.489 4.885 50 0 HJAARN COc1cc(Nc2c(-c3nc(C4CC4)no3)cnc3nc(C)ccc32)cc(OC)c1 ZINC000049420758 568450252 /nfs/dbraw/zinc/45/02/52/568450252.db2.gz JKSPRQXYEVIFRT-UHFFFAOYSA-N 0 0 403.442 4.626 50 0 HJAARN COc1cccc([C@@H]2SCC(=O)Nc3c2cnn3C)c1OCc1ccccc1F ZINC000049543901 568451239 /nfs/dbraw/zinc/45/12/39/568451239.db2.gz FLSLCXNXILFQTO-FQEVSTJZSA-N 0 0 413.474 4.571 50 0 HJAARN CCCCC(=O)Nc1ccc(S[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000113563801 568453176 /nfs/dbraw/zinc/45/31/76/568453176.db2.gz NODBODXTISENMI-GOSISDBHSA-N 0 0 416.930 4.893 50 0 HJAARN O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1nc2ccc(F)cc2s1 ZINC000012261568 568456981 /nfs/dbraw/zinc/45/69/81/568456981.db2.gz IMSFZILTDVMYMT-UHFFFAOYSA-N 0 0 403.385 4.940 50 0 HJAARN COc1ccc(Cn2c(CCC(=O)Nc3ccc(C)cc3C)nc3cccnc32)cc1 ZINC000006737416 568458825 /nfs/dbraw/zinc/45/88/25/568458825.db2.gz NULNEYCDLCCZGT-UHFFFAOYSA-N 0 0 414.509 4.676 50 0 HJAARN O=C(Nc1ncccn1)c1cc(-c2cccc(Br)c2)nc2ccccc21 ZINC000000656270 568459558 /nfs/dbraw/zinc/45/95/58/568459558.db2.gz IEQXPBPLBRVMRI-UHFFFAOYSA-N 0 0 405.255 4.707 50 0 HJAARN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000000654004 568459800 /nfs/dbraw/zinc/45/98/00/568459800.db2.gz CNJAHCBFFLHCBU-KRWDZBQOSA-N 0 0 408.523 4.655 50 0 HJAARN O=C1c2ccccc2C(=O)N1CCO[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000000664945 568460301 /nfs/dbraw/zinc/46/03/01/568460301.db2.gz VJGXBCYYOQYVNX-NRFANRHFSA-N 0 0 409.844 4.881 50 0 HJAARN O=C(COc1ccc(Cl)cc1)Nc1cnn(Cc2c(Cl)cccc2Cl)c1 ZINC000000680044 568461454 /nfs/dbraw/zinc/46/14/54/568461454.db2.gz DXAFGAUCVQWGFJ-UHFFFAOYSA-N 0 0 410.688 4.909 50 0 HJAARN O=C(/C=C/c1ccccc1)Nc1ccc2nc(SCC(=O)N3CCCC3)sc2c1 ZINC000000694000 568462253 /nfs/dbraw/zinc/46/22/53/568462253.db2.gz KVEQACTWUKIONE-DHZHZOJOSA-N 0 0 423.563 4.663 50 0 HJAARN C[C@@H]1CN(c2ncnc3scc(-c4ccc(Br)cc4)c32)C[C@@H](C)O1 ZINC000000707035 568463512 /nfs/dbraw/zinc/46/35/12/568463512.db2.gz YBNZRPRBCVXOSG-VXGBXAGGSA-N 0 0 404.333 4.734 50 0 HJAARN CC(C)c1noc([C@H](C)Sc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)n1 ZINC000024835741 568469979 /nfs/dbraw/zinc/46/99/79/568469979.db2.gz CUBKSFAZSFMWOV-ZDUSSCGKSA-N 0 0 418.954 4.881 50 0 HJAARN CCN(CC)C(=O)[C@@H](Sc1nnc(-c2cccs2)n1CC)c1ccccc1 ZINC000007085000 568471000 /nfs/dbraw/zinc/47/10/00/568471000.db2.gz XGIGYVIQLAROCM-KRWDZBQOSA-N 0 0 400.573 4.728 50 0 HJAARN CC(=O)c1ccccc1NC(=O)CCc1cc2c(C)cc(=O)oc2cc1OC(C)C ZINC000012323264 568471409 /nfs/dbraw/zinc/47/14/09/568471409.db2.gz DGYCZVPMZUTAJT-UHFFFAOYSA-N 0 0 407.466 4.663 50 0 HJAARN O=C(CCc1ncc(-c2ccccc2F)o1)OCc1cc(Cl)c2c(c1)OCCO2 ZINC000022279871 568479087 /nfs/dbraw/zinc/47/90/87/568479087.db2.gz HIWCYWJBMSUELK-UHFFFAOYSA-N 0 0 417.820 4.581 50 0 HJAARN CCOc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(F)cc3)c3ccccn32)cc1 ZINC000012342174 568484070 /nfs/dbraw/zinc/48/40/70/568484070.db2.gz XAUTWYLNDDMNMR-UHFFFAOYSA-N 0 0 417.440 4.543 50 0 HJAARN COc1ccc(Oc2cc(N[C@@H](C)C(=O)Nc3cccc(OC)c3)ccc2OC)cc1 ZINC000022421190 568486351 /nfs/dbraw/zinc/48/63/51/568486351.db2.gz LEZPXJQRSVCXIZ-INIZCTEOSA-N 0 0 422.481 4.944 50 0 HJAARN Cc1cc(C(=O)[C@H](C)Sc2nnc(C3CC3)n2C2CC2)c(C)n1Cc1ccco1 ZINC000007904250 568486514 /nfs/dbraw/zinc/48/65/14/568486514.db2.gz JSJDTQOTDGZNLT-HNNXBMFYSA-N 0 0 410.543 4.914 50 0 HJAARN O=C(C=Cc1cc(Cl)c2c(c1)OCCCO2)OCC(=O)c1ccc(Cl)s1 ZINC000007985731 568487881 /nfs/dbraw/zinc/48/78/81/568487881.db2.gz RMFASNXVOBSWRR-GORDUTHDSA-N 0 0 413.278 4.656 50 0 HJAARN FC(F)(F)c1cccc(N2CCN(Cc3ccc(Br)s3)CC2)c1 ZINC000055543945 568488960 /nfs/dbraw/zinc/48/89/60/568488960.db2.gz SSUMNHSOPQTAIG-UHFFFAOYSA-N 0 0 405.283 4.852 50 0 HJAARN COc1c(Cl)cc(Cl)cc1/C=C1/NC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000220958568 568509224 /nfs/dbraw/zinc/50/92/24/568509224.db2.gz NUPDZYASBFOIAE-VGOFMYFVSA-N 0 0 413.713 4.918 50 0 HJAARN Cc1oc(-c2ccccc2C)nc1CN1CCN(C(=O)Nc2ccc(C)c(F)c2)CC1 ZINC000033085261 568511113 /nfs/dbraw/zinc/51/11/13/568511113.db2.gz BOITZJAHTYWVNX-UHFFFAOYSA-N 0 0 422.504 4.756 50 0 HJAARN O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCN1C(=O)c1cc2c(s1)CCC2 ZINC000033134177 568511292 /nfs/dbraw/zinc/51/12/92/568511292.db2.gz RLGPCXJTNDHGIL-OAHLLOKOSA-N 0 0 409.338 4.787 50 0 HJAARN CN1c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2Oc2ccccc2C1=O ZINC000033170914 568511729 /nfs/dbraw/zinc/51/17/29/568511729.db2.gz SNHKBLOKVFJGTL-UHFFFAOYSA-N 0 0 408.841 4.740 50 0 HJAARN Cc1ccc(Nc2ccc3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc3n2)cc1F ZINC000033250537 568511967 /nfs/dbraw/zinc/51/19/67/568511967.db2.gz IVIYVFCQGSWUOY-INIZCTEOSA-N 0 0 413.518 4.989 50 0 HJAARN Cc1nc(-c2ccc(-n3cc(C(=O)Nc4ccc(F)cc4Cl)c(C)n3)cc2)no1 ZINC000033258503 568512778 /nfs/dbraw/zinc/51/27/78/568512778.db2.gz ZEEDTOOBAOMIFN-UHFFFAOYSA-N 0 0 411.824 4.584 50 0 HJAARN COc1ccc(NC(=O)Cn2ccc3c2ccnc3SCc2ccccc2)cc1 ZINC000033298608 568513194 /nfs/dbraw/zinc/51/31/94/568513194.db2.gz HOGFITXSFKVMDD-UHFFFAOYSA-N 0 0 403.507 4.976 50 0 HJAARN O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1CNc1ccc(Br)cc1 ZINC000033518516 568514946 /nfs/dbraw/zinc/51/49/46/568514946.db2.gz MTZYEILRAWAZQS-DHDCSXOGSA-N 0 0 407.264 4.694 50 0 HJAARN COc1cccc(/C=C2\SC(=O)N(CNc3cccc(Br)c3)C2=O)c1 ZINC000020073751 568587606 /nfs/dbraw/zinc/58/76/06/568587606.db2.gz MAICNCAPFVWCPJ-SXGWCWSVSA-N 0 0 419.300 4.564 50 0 HJAARN O=C(CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)NCc1cccs1 ZINC000020181176 568593091 /nfs/dbraw/zinc/59/30/91/568593091.db2.gz XBFXHPGBCJEQET-NDENLUEZSA-N 0 0 424.522 4.683 50 0 HJAARN O=C(NCCN1CCc2ccccc2C1)c1cc2c(s1)c1ccccc1nc2Cl ZINC000020286186 568596934 /nfs/dbraw/zinc/59/69/34/568596934.db2.gz YLCDEADQJWUZHR-UHFFFAOYSA-N 0 0 421.953 4.891 50 0 HJAARN Cc1nc(NC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)sc1C ZINC000095349016 568600505 /nfs/dbraw/zinc/60/05/05/568600505.db2.gz VVASRCBTESXEQS-UHFFFAOYSA-N 0 0 400.504 4.919 50 0 HJAARN CC(=O)c1c(C)[nH]c(C(=O)OCc2c(Cl)nc(Cl)n2-c2ccccc2)c1C ZINC000095364989 568602090 /nfs/dbraw/zinc/60/20/90/568602090.db2.gz JTLRNUWXUYIGMW-UHFFFAOYSA-N 0 0 406.269 4.684 50 0 HJAARN O=C(c1ccccc1Nc1ccc(SC(F)F)cc1)N1CCC2(CC1)OCCO2 ZINC000095377395 568603333 /nfs/dbraw/zinc/60/33/33/568603333.db2.gz CXBKABDDTUVAHN-UHFFFAOYSA-N 0 0 420.481 4.724 50 0 HJAARN COc1ccc2cc(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4C)C3)ccc2c1 ZINC000020452599 568608955 /nfs/dbraw/zinc/60/89/55/568608955.db2.gz CTARYXNUPHYYTI-OAQYLSRUSA-N 0 0 413.521 4.830 50 0 HJAARN C=C1C(NCCc2ccc(OCC)cc2)=NS(=O)(=O)C1c1ccc(C(C)C)cc1 ZINC000020465862 568610386 /nfs/dbraw/zinc/61/03/86/568610386.db2.gz QRIYLFUGRRNFOP-UHFFFAOYSA-N 0 0 412.555 4.514 50 0 HJAARN CC(C)c1cccc(C(C)C)c1NCCOC(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000095450770 568614215 /nfs/dbraw/zinc/61/42/15/568614215.db2.gz SXPJAKNKTICEHY-UHFFFAOYSA-N 0 0 417.571 4.747 50 0 HJAARN Clc1ccc(Br)c2ccc(N3CCO[C@H](c4nccs4)C3)nc12 ZINC000095462959 568621664 /nfs/dbraw/zinc/62/16/64/568621664.db2.gz ZLKJWYWCEJQHSG-ZDUSSCGKSA-N 0 0 410.724 4.685 50 0 HJAARN CCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2NCc2ccccc2C)cc1 ZINC000095467810 568624939 /nfs/dbraw/zinc/62/49/39/568624939.db2.gz BIKWWPUDSNATGJ-UHFFFAOYSA-N 0 0 408.523 4.653 50 0 HJAARN CC(C)(C)NC(=O)N1CCC(Nc2nc(-c3ccccc3)nc3ccccc32)CC1 ZINC000095467553 568624943 /nfs/dbraw/zinc/62/49/43/568624943.db2.gz FYKNROKDBDMHBP-UHFFFAOYSA-N 0 0 403.530 4.681 50 0 HJAARN COc1cc(C=CC(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)cc(OC)c1OC ZINC000040157742 568626814 /nfs/dbraw/zinc/62/68/14/568626814.db2.gz ACRBWZVYXOABJF-RMKNXTFCSA-N 0 0 419.437 4.501 50 0 HJAARN CC(C)Cn1nc(CC(=O)Nc2ccc(Cl)cc2Cl)c2ccccc2c1=O ZINC000095474528 568629362 /nfs/dbraw/zinc/62/93/62/568629362.db2.gz VJRMQSDNXSJEBI-UHFFFAOYSA-N 0 0 404.297 4.541 50 0 HJAARN COc1ccc([C@H]2SCC(=O)Nc3ncn(-c4ccc(Cl)cc4)c32)cc1O ZINC000095475191 568629783 /nfs/dbraw/zinc/62/97/83/568629783.db2.gz XGDJATDZBFUFRF-GOSISDBHSA-N 0 0 401.875 4.664 50 0 HJAARN CSc1ccccc1NC(=O)c1cnc2scc(-c3ccc(C)cc3)n2c1=O ZINC000020768226 568643445 /nfs/dbraw/zinc/64/34/45/568643445.db2.gz QMCHDRLTRFQGPI-UHFFFAOYSA-N 0 0 407.520 4.706 50 0 HJAARN Cc1ccc(N2CCN(c3nnc(Cc4cccnc4)c4ccccc43)C[C@@H]2C)cc1 ZINC000020859929 568645893 /nfs/dbraw/zinc/64/58/93/568645893.db2.gz IMLATZNPIUZYGE-FQEVSTJZSA-N 0 0 409.537 4.639 50 0 HJAARN CC(C)c1nc2ccc(NC(=O)N3CCC(C(=O)N4CCCCC4)CC3)cc2s1 ZINC000225519609 568646178 /nfs/dbraw/zinc/64/61/78/568646178.db2.gz MAPYGIUKBIACSF-UHFFFAOYSA-N 0 0 414.575 4.676 50 0 HJAARN Cc1ccc(C[S@](=O)Cc2ccc(C(=O)N[C@H](C)CCc3ccccc3)o2)cc1 ZINC000020864858 568646403 /nfs/dbraw/zinc/64/64/03/568646403.db2.gz JEBURRPTVWKBPI-SONOPUAISA-N 0 0 409.551 4.788 50 0 HJAARN C=C1C(Nc2ccc(Br)c(C)c2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000020900801 568649873 /nfs/dbraw/zinc/64/98/73/568649873.db2.gz UPCQGQHWQNVNSI-UHFFFAOYSA-N 0 0 405.317 4.651 50 0 HJAARN CCN(Cc1ccccc1)C(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12 ZINC000020904487 568650592 /nfs/dbraw/zinc/65/05/92/568650592.db2.gz QBNOQUWMHCDFBI-UHFFFAOYSA-N 0 0 412.489 4.662 50 0 HJAARN CCc1cc2c(cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1)[nH]c1c2C(=O)CCC1 ZINC000020990533 568655751 /nfs/dbraw/zinc/65/57/51/568655751.db2.gz YCUPYFMNSJHBRJ-UHFFFAOYSA-N 0 0 420.893 4.843 50 0 HJAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000021042846 568659770 /nfs/dbraw/zinc/65/97/70/568659770.db2.gz NJYJJKHAVLMLJS-UHFFFAOYSA-N 0 0 422.506 4.661 50 0 HJAARN CC(=O)N1N=C(c2cccs2)O[C@@H]1c1cccc(NC(=O)c2ccc(C)cc2)c1 ZINC000021092738 568664443 /nfs/dbraw/zinc/66/44/43/568664443.db2.gz UWSYRRBUJZNZJI-JOCHJYFZSA-N 0 0 405.479 4.548 50 0 HJAARN COc1ccc(-c2cnc(NC(=O)Nc3ccc(Br)c(C)c3)n2C)cc1 ZINC000021094360 568664705 /nfs/dbraw/zinc/66/47/05/568664705.db2.gz ZMAGVUIYMQPZIU-UHFFFAOYSA-N 0 0 415.291 4.811 50 0 HJAARN CCc1ccccc1NC(=O)N1CCN(c2nc3cc(F)ccc3n3cccc23)CC1 ZINC000021104032 568666661 /nfs/dbraw/zinc/66/66/61/568666661.db2.gz WVLOQUSRYIQIEA-UHFFFAOYSA-N 0 0 417.488 4.543 50 0 HJAARN COc1cc(OC)c(Nc2c3[nH]cccc-3c(=O)n2Cc2ccccc2)cc1Cl ZINC000021107300 568667596 /nfs/dbraw/zinc/66/75/96/568667596.db2.gz BOOHGENBORBMEB-OAQYLSRUSA-N 0 0 409.873 4.519 50 0 HJAARN Cc1c(C(=O)NCc2ccc(Cl)cc2)sc2ncnc(N3CCCCCC3)c12 ZINC000021115930 568668740 /nfs/dbraw/zinc/66/87/40/568668740.db2.gz DQWXMRNBALDDJT-UHFFFAOYSA-N 0 0 414.962 4.964 50 0 HJAARN O=C(Nc1ccc(F)cc1NC(=O)c1cc2ccccc2c(Cl)n1)c1ccccn1 ZINC000095954858 568669056 /nfs/dbraw/zinc/66/90/56/568669056.db2.gz GCIPOYGYRPVDCI-UHFFFAOYSA-N 0 0 420.831 4.927 50 0 HJAARN Cc1cccc(NC(=O)CCc2nc(CSc3nc4ccccc4s3)no2)c1 ZINC000021157513 568673858 /nfs/dbraw/zinc/67/38/58/568673858.db2.gz SNGUZUNAFNVJND-UHFFFAOYSA-N 0 0 410.524 4.851 50 0 HJAARN CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccccc2s1 ZINC000021177361 568677536 /nfs/dbraw/zinc/67/75/36/568677536.db2.gz JTBONXUNUZPWRA-HNNXBMFYSA-N 0 0 404.495 4.663 50 0 HJAARN CC1(C)C[C@@H](O)c2c(OCC(=O)Nc3ccc(SC(F)F)cc3)cccc2O1 ZINC000225824634 568677976 /nfs/dbraw/zinc/67/79/76/568677976.db2.gz LHYXQSWJDBIFPZ-CQSZACIVSA-N 0 0 409.454 4.613 50 0 HJAARN CCc1nc(C)c([C@H](C)N(C)S(=O)(=O)CCc2ccc(C(F)(F)F)cc2)s1 ZINC000225835060 568679227 /nfs/dbraw/zinc/67/92/27/568679227.db2.gz ZWIONUVMQKQHTR-ZDUSSCGKSA-N 0 0 420.522 4.598 50 0 HJAARN COc1ccc(-c2nnc(SCCCNc3ncccn3)c3ccccc32)cc1 ZINC000096006389 568682605 /nfs/dbraw/zinc/68/26/05/568682605.db2.gz HZAMFWWSKRRLLK-UHFFFAOYSA-N 0 0 403.511 4.690 50 0 HJAARN O[C@]12CCCC[C@@H]1C1(CCCCC1)NC(=S)N2Cc1ccccc1C(F)(F)F ZINC000012389153 568686925 /nfs/dbraw/zinc/68/69/25/568686925.db2.gz KYCXZQJJARAALM-YLJYHZDGSA-N 0 0 412.521 4.977 50 0 HJAARN O=C(Nc1cccc(Cl)c1)N1CCC(Oc2ncccc2Br)CC1 ZINC000096096994 568689318 /nfs/dbraw/zinc/68/93/18/568689318.db2.gz UVRCWXORLHLAMN-UHFFFAOYSA-N 0 0 410.699 4.573 50 0 HJAARN CCc1nc(-c2ccc(-c3noc([C@@H](C)NC(=O)c4ccccc4)n3)cc2)cs1 ZINC000021358105 568689676 /nfs/dbraw/zinc/68/96/76/568689676.db2.gz HGHWRAFFRANXEQ-CQSZACIVSA-N 0 0 404.495 4.914 50 0 HJAARN O=C(Cc1ccccc1Cl)Nc1ccccc1Cc1nc(-c2cccnc2)no1 ZINC000096102964 568691513 /nfs/dbraw/zinc/69/15/13/568691513.db2.gz YWQWQFZEQHPOPU-UHFFFAOYSA-N 0 0 404.857 4.557 50 0 HJAARN CCCC(=O)Nc1c(S(=O)(=O)c2ccccc2)c(C)c(C)n1Cc1ccccc1 ZINC000012389577 568692159 /nfs/dbraw/zinc/69/21/59/568692159.db2.gz ZWWQEIRWSGRYQS-UHFFFAOYSA-N 0 0 410.539 4.725 50 0 HJAARN CSc1ccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)cc1 ZINC000096117742 568697211 /nfs/dbraw/zinc/69/72/11/568697211.db2.gz ICPMPYFLXGEICV-WMLDXEAASA-N 0 0 403.573 4.915 50 0 HJAARN Cc1nc(-c2ccc(CCNC(=O)c3cccnc3SC(F)F)s2)cs1 ZINC000012396825 568697996 /nfs/dbraw/zinc/69/79/96/568697996.db2.gz RXLJQDVYUQYEDR-UHFFFAOYSA-N 0 0 411.524 4.862 50 0 HJAARN O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1ccc2nsnc2c1 ZINC000096119757 568699035 /nfs/dbraw/zinc/69/90/35/568699035.db2.gz VWKKOWYRYVCTIE-UHFFFAOYSA-N 0 0 419.491 4.646 50 0 HJAARN O=C(Nc1ccc(F)cc1)c1ccc(CN2CCN(c3ccccc3F)CC2)cc1 ZINC000034668378 568702234 /nfs/dbraw/zinc/70/22/34/568702234.db2.gz BUZWAQHSOGPPBH-UHFFFAOYSA-N 0 0 407.464 4.539 50 0 HJAARN O=S(=O)(c1ccc(-c2csc(NCc3ccco3)n2)cc1)N1CCCCCC1 ZINC000021474050 568703277 /nfs/dbraw/zinc/70/32/77/568703277.db2.gz INHSNIZJGJCEFW-UHFFFAOYSA-N 0 0 417.556 4.580 50 0 HJAARN COc1ccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1 ZINC000096221066 568704975 /nfs/dbraw/zinc/70/49/75/568704975.db2.gz WEBWJKLMQAORQY-IBGZPJMESA-N 0 0 414.413 4.615 50 0 biogenic HJAARN COc1ccccc1[C@H]1CC(=O)Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c21 ZINC000096221455 568705255 /nfs/dbraw/zinc/70/52/55/568705255.db2.gz PWAZVNNTXXUOPG-GOSISDBHSA-N 0 0 414.413 4.615 50 0 biogenic HJAARN Cc1ccc(/C=C/c2nc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)no2)cc1 ZINC000096232854 568708433 /nfs/dbraw/zinc/70/84/33/568708433.db2.gz JXAOUYOZDRZIRE-KPKJPENVSA-N 0 0 423.538 4.636 50 0 HJAARN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)Nc1ccc(F)c(F)c1F ZINC000021533467 568711562 /nfs/dbraw/zinc/71/15/62/568711562.db2.gz HIEJILNRJTVHCU-UHFFFAOYSA-N 0 0 411.836 4.982 50 0 HJAARN Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3Br)o2)c1 ZINC000000851199 568712158 /nfs/dbraw/zinc/71/21/58/568712158.db2.gz QCCLIALWXWUNSZ-UHFFFAOYSA-N 0 0 404.289 4.538 50 0 HJAARN O=C(Nc1nc2c(s1)CCCCC2)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000025002531 568712929 /nfs/dbraw/zinc/71/29/29/568712929.db2.gz YSZZNTCVOUVPBA-UHFFFAOYSA-N 0 0 406.433 4.869 50 0 HJAARN C[C@@H]1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccccc3)cc2)[C@@H]2CCCC[C@@H]12 ZINC000229780565 568715243 /nfs/dbraw/zinc/71/52/43/568715243.db2.gz ZHYUYIZENIZSRB-YFXJRYMSSA-N 0 0 411.567 4.701 50 0 HJAARN COc1nc(-c2ccc(F)cc2)n(-c2ccc(NC(=O)c3ccc(F)c(C)c3)cc2)n1 ZINC000096278466 568716644 /nfs/dbraw/zinc/71/66/44/568716644.db2.gz DDUSDOZWHSALNU-UHFFFAOYSA-N 0 0 420.419 4.782 50 0 HJAARN CC[C@@H](C)N(Cc1c(-c2ccccc2)nn(C)c1N(C)C)C(=O)c1ccc(C)cc1 ZINC000096279672 568717719 /nfs/dbraw/zinc/71/77/19/568717719.db2.gz TZGKHKISGCUSFQ-LJQANCHMSA-N 0 0 404.558 4.902 50 0 HJAARN CCCCN1c2ccc(NC(=O)c3cccs3)cc2S(=O)(=O)N=C1CC(C)C ZINC000096288429 568719426 /nfs/dbraw/zinc/71/94/26/568719426.db2.gz OORDOXFQPIQICA-UHFFFAOYSA-N 0 0 419.572 4.754 50 0 HJAARN O[C@H](COc1ccccc1-c1ccccc1)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000012420130 568719572 /nfs/dbraw/zinc/71/95/72/568719572.db2.gz CHCYMPJREQNMCI-QHCPKHFHSA-N 0 0 422.956 4.569 50 0 HJAARN COc1ccc(-c2noc(CCN(C(=O)c3ccco3)[C@@H](C)c3ccccc3)n2)cc1 ZINC000096293158 568721605 /nfs/dbraw/zinc/72/16/05/568721605.db2.gz AFXGLFDXRSCGAG-KRWDZBQOSA-N 0 0 417.465 4.784 50 0 HJAARN CC[C@@H](C)[C@H](NC(=O)c1ccc(C)cc1)c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000096293152 568721646 /nfs/dbraw/zinc/72/16/46/568721646.db2.gz DNWOXCTWCJTPLO-QRWLVFNGSA-N 0 0 409.486 4.579 50 0 HJAARN COc1cc(OC)cc(-c2noc([C@@H](Cc3ccccc3)NC(=O)CC(C)(C)C)n2)c1 ZINC000096293462 568721708 /nfs/dbraw/zinc/72/17/08/568721708.db2.gz HJOLMDHYVCDAEX-HXUWFJFHSA-N 0 0 423.513 4.590 50 0 HJAARN O=C(C1CC1)N(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)C1CCCCC1 ZINC000096293573 568721774 /nfs/dbraw/zinc/72/17/74/568721774.db2.gz MFMQZBKBFRCESU-UHFFFAOYSA-N 0 0 407.436 4.869 50 0 HJAARN COc1cccc(-c2noc(CCN(Cc3ccccc3)C(=O)c3cccs3)n2)c1 ZINC000096293975 568721934 /nfs/dbraw/zinc/72/19/34/568721934.db2.gz MQSFWVVBRKSMTH-UHFFFAOYSA-N 0 0 419.506 4.692 50 0 HJAARN CC[C@@H](C)NC(=O)c1cccc(CSc2nnc(-c3cccs3)n2CC)c1 ZINC000096294295 568722121 /nfs/dbraw/zinc/72/21/21/568722121.db2.gz NCVMXOWLKPAPFY-CQSZACIVSA-N 0 0 400.573 4.847 50 0 HJAARN CCOc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CCCCCC3)c2c1 ZINC000012437795 568723015 /nfs/dbraw/zinc/72/30/15/568723015.db2.gz VCWZSGCQPHEUHI-UHFFFAOYSA-N 0 0 410.539 4.847 50 0 HJAARN O=C(Oc1ccccc1C(=S)N1CCCCC1)c1ccc(Br)cc1 ZINC000000866325 568723608 /nfs/dbraw/zinc/72/36/08/568723608.db2.gz CIMXRSRVANASFI-UHFFFAOYSA-N 0 0 404.329 4.830 50 0 HJAARN Cc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3nc4ccc(C)cc4s3)n2)cc1 ZINC000012441145 568723751 /nfs/dbraw/zinc/72/37/51/568723751.db2.gz YHGNTJIJNRORNH-UHFFFAOYSA-N 0 0 418.522 4.556 50 0 HJAARN Cc1cc(NC(=O)c2c(F)cccc2F)n(-c2nc(-c3ccc(F)cc3)cs2)n1 ZINC000012442007 568724664 /nfs/dbraw/zinc/72/46/64/568724664.db2.gz UKRIKIVYQVIYPD-UHFFFAOYSA-N 0 0 414.412 4.974 50 0 HJAARN C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(Oc4ccc(Cl)cc4Cl)cc3)C(=O)[C@H]21 ZINC000239254583 568728586 /nfs/dbraw/zinc/72/85/86/568728586.db2.gz YKTVDFRFGDGFHY-GFJSAUFNSA-N 0 0 402.277 5.487 50 0 HJAARN C[C@H](Cc1ccco1)NC(=O)CSCc1nc2cccnc2n1C1CCCCC1 ZINC000021651013 568729059 /nfs/dbraw/zinc/72/90/59/568729059.db2.gz NRKZMLCPPTYOMN-MRXNPFEDSA-N 0 0 412.559 4.510 50 0 HJAARN CC(C)(C)c1ccc([C@H](O)CCC(=O)N2CCC[C@H]2c2cccc3c2OCCO3)cc1 ZINC000239782408 568730042 /nfs/dbraw/zinc/73/00/42/568730042.db2.gz COHHWSTVLSYJBA-FCHUYYIVSA-N 0 0 423.553 4.933 50 0 HJAARN Cc1ccc(-c2nc(CSCC(=O)Nc3ccc(Br)cc3)no2)cc1 ZINC000021653405 568730620 /nfs/dbraw/zinc/73/06/20/568730620.db2.gz YKTVVRKPLLYCPH-UHFFFAOYSA-N 0 0 418.316 4.679 50 0 HJAARN Cc1ccc(-c2noc(-c3ccc(CS(=O)(=O)Cc4ccccc4C)o3)n2)cc1 ZINC000096322750 568730970 /nfs/dbraw/zinc/73/09/70/568730970.db2.gz YRXQCMKVEZTLJD-UHFFFAOYSA-N 0 0 408.479 4.728 50 0 HJAARN Cc1cc(C)cc(CS(=O)(=O)Nc2noc(-c3ccccc3)c2Br)c1 ZINC000241515482 568731220 /nfs/dbraw/zinc/73/12/20/568731220.db2.gz OFTOAYZDMCIHFP-UHFFFAOYSA-N 0 0 421.316 4.663 50 0 HJAARN Cc1nc(C(=O)N(c2ccccc2)C2Cc3ccccc3C2)c(Br)s1 ZINC000241515631 568731323 /nfs/dbraw/zinc/73/13/23/568731323.db2.gz OGRFOSGYIJRDQS-UHFFFAOYSA-N 0 0 413.340 5.028 50 0 HJAARN Cc1cccc(-c2nccc(N3CCC(C(=O)NCc4ccc(Cl)cc4)CC3)n2)c1 ZINC000096323122 568731480 /nfs/dbraw/zinc/73/14/80/568731480.db2.gz RYUKHYZBULCTFB-UHFFFAOYSA-N 0 0 420.944 4.638 50 0 HJAARN COc1ccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=S)Nc2ccccc2)cc1 ZINC000241644640 568731511 /nfs/dbraw/zinc/73/15/11/568731511.db2.gz PSJWUWNJLXXADT-QHCPKHFHSA-N 0 0 401.535 5.552 50 0 HJAARN COc1ccc(-c2ccnc3cc(C(=O)Nc4ccc(C(C)C)cc4)nn32)cc1OC ZINC000021660193 568735598 /nfs/dbraw/zinc/73/55/98/568735598.db2.gz OAJSNNHETXPTFH-UHFFFAOYSA-N 0 0 416.481 4.789 50 0 HJAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@H](c1cccc(F)c1F)CC(=O)N2 ZINC000021661010 568735772 /nfs/dbraw/zinc/73/57/72/568735772.db2.gz OMQNFIRINOXFFX-ZDUSSCGKSA-N 0 0 410.449 4.851 50 0 HJAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cc(C)sc3C)sc2c1 ZINC000021661117 568735949 /nfs/dbraw/zinc/73/59/49/568735949.db2.gz MVZOFULQGRBXHE-OAHLLOKOSA-N 0 0 424.551 4.951 50 0 HJAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccsc3)sc2c1 ZINC000021661255 568736075 /nfs/dbraw/zinc/73/60/75/568736075.db2.gz JZHLSUZDGZPAGF-AWEZNQCLSA-N 0 0 410.524 4.725 50 0 HJAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccsc3)sc2c1 ZINC000021661253 568736151 /nfs/dbraw/zinc/73/61/51/568736151.db2.gz JZHLSUZDGZPAGF-CQSZACIVSA-N 0 0 410.524 4.725 50 0 HJAARN CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCCc2cccc(F)c2)C12CCCC2 ZINC000096344627 568737463 /nfs/dbraw/zinc/73/74/63/568737463.db2.gz MZUSRTBGJMLTSY-HSZRJFAPSA-N 0 0 422.544 4.837 50 0 HJAARN CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccccc2OC)C12CCCC2 ZINC000096344617 568737493 /nfs/dbraw/zinc/73/74/93/568737493.db2.gz DMKWCHNIBJFTNH-QHCPKHFHSA-N 0 0 420.553 4.664 50 0 HJAARN CCCn1cc(C2=CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c2cccnc21 ZINC000096386494 568743088 /nfs/dbraw/zinc/74/30/88/568743088.db2.gz WWQTTYDETXKZDE-UHFFFAOYSA-N 0 0 421.975 4.639 50 0 HJAARN Cc1cccc(-c2noc(-c3sccc3NC(=O)c3ccc4[nH]cnc4c3)n2)c1 ZINC000096386754 568743403 /nfs/dbraw/zinc/74/34/03/568743403.db2.gz QYMWIEHHVCVCFZ-UHFFFAOYSA-N 0 0 401.451 4.902 50 0 HJAARN CSc1ccc(CNC(=O)Cc2c3[nH]cccc-3c(=O)n2-c2ccc(C)cc2)cc1 ZINC000096386982 568743769 /nfs/dbraw/zinc/74/37/69/568743769.db2.gz FDCMMRPSRSKBRY-OAQYLSRUSA-N 0 0 417.534 4.520 50 0 HJAARN Cc1cc(C(=O)COC(=O)Cc2noc3ccccc32)c(C)n1CCc1cccs1 ZINC000018965783 568744274 /nfs/dbraw/zinc/74/42/74/568744274.db2.gz MOJIRNOHGWBVAQ-UHFFFAOYSA-N 0 0 422.506 4.519 50 0 HJAARN CCn1c(-c2cc(NC(=O)COc3ccc(Cl)cc3)n[nH]2)cc2c1cccc2OC ZINC000096398637 568747616 /nfs/dbraw/zinc/74/76/16/568747616.db2.gz QUKPEEXQOWVXEW-UHFFFAOYSA-N 0 0 424.888 4.731 50 0 HJAARN CSC1=NC2(CCN(C(=O)Nc3ccc(C)cc3)CC2)N=C1c1ccc(C)cc1 ZINC000096399279 568747829 /nfs/dbraw/zinc/74/78/29/568747829.db2.gz KIOQCHIAUSLYMH-UHFFFAOYSA-N 0 0 406.555 4.892 50 0 HJAARN Cc1c(F)cccc1NC(=O)Nc1ccc2nc(S(=O)(=O)CC(C)C)sc2c1 ZINC000096399750 568749061 /nfs/dbraw/zinc/74/90/61/568749061.db2.gz KMDHKVYFQNCGLX-UHFFFAOYSA-N 0 0 421.519 4.818 50 0 HJAARN CCn1c(-c2cc(NC(=O)Cc3ccc(OC)cc3Cl)n[nH]2)cc2ccccc21 ZINC000096400256 568749389 /nfs/dbraw/zinc/74/93/89/568749389.db2.gz PMKZFHGTEJHQRF-UHFFFAOYSA-N 0 0 408.889 4.895 50 0 HJAARN CCn1c2ccccc2c(C)c1-c1cc(NC(=O)c2ccc(OC)cc2OC)n[nH]1 ZINC000096400263 568749418 /nfs/dbraw/zinc/74/94/18/568749418.db2.gz WDYDAFMNDWJMLQ-UHFFFAOYSA-N 0 0 404.470 4.629 50 0 HJAARN CCn1c2ccccc2c(C)c1-c1cc(NC(=O)c2cc(OC)cc(OC)c2)n[nH]1 ZINC000096400264 568749627 /nfs/dbraw/zinc/74/96/27/568749627.db2.gz INJWJHZYWFPZBV-UHFFFAOYSA-N 0 0 404.470 4.629 50 0 HJAARN CNC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1ccccc1Cl ZINC000096401164 568750184 /nfs/dbraw/zinc/75/01/84/568750184.db2.gz WFVNFFFYDVOCOK-SSZFMOIBSA-N 0 0 420.896 4.668 50 0 HJAARN Cc1ccc(-c2nc(CN3CCC[C@@H](C(=O)Nc4cccc(Cl)c4)C3)no2)cc1 ZINC000021724620 568751174 /nfs/dbraw/zinc/75/11/74/568751174.db2.gz NSGOUFMWCFGLBZ-QGZVFWFLSA-N 0 0 410.905 4.549 50 0 HJAARN COc1ccc(N2C(=O)C(Sc3ccc(C)cc3)=C(N3CCC[C@H](C)C3)C2=O)cc1 ZINC000000936517 568751459 /nfs/dbraw/zinc/75/14/59/568751459.db2.gz WPRJQYOCYHIGHC-KRWDZBQOSA-N 0 0 422.550 4.613 50 0 HJAARN O=C1C(Cl)=C(N(Cc2ccccc2)Cc2ccccc2)C(=O)N1c1ccccc1 ZINC000000934346 568751647 /nfs/dbraw/zinc/75/16/47/568751647.db2.gz AATBFOVGJVISBM-UHFFFAOYSA-N 0 0 402.881 4.713 50 0 HJAARN O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1Cc1ccco1 ZINC000000939533 568752545 /nfs/dbraw/zinc/75/25/45/568752545.db2.gz UNEPQNSJOQNWJW-QHCPKHFHSA-N 0 0 401.491 4.907 50 0 HJAARN CCc1ccc(-n2nc(C)c3c2NC(=O)CS[C@@H]3c2cc(OC)ccc2OC)cc1 ZINC000021788099 568752860 /nfs/dbraw/zinc/75/28/60/568752860.db2.gz QMCKBRQDTBLOEO-JOCHJYFZSA-N 0 0 423.538 4.535 50 0 HJAARN Cc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)n3)cc2)cc1C ZINC000021794150 568753358 /nfs/dbraw/zinc/75/33/58/568753358.db2.gz BXNUVEDYYBCAGB-UHFFFAOYSA-N 0 0 401.514 4.998 50 0 HJAARN Cc1nc(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc(N2CCCCC2)n1 ZINC000021794336 568753525 /nfs/dbraw/zinc/75/35/25/568753525.db2.gz FHYDWBNJURQZBD-UHFFFAOYSA-N 0 0 405.477 4.910 50 0 HJAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000000942395 568753551 /nfs/dbraw/zinc/75/35/51/568753551.db2.gz UBNBSHNKBHUZMV-UHFFFAOYSA-N 0 0 417.527 4.751 50 0 HJAARN CCCCN1C(=O)c2ccc(-c3ccco3)n2C[C@]1(C)C(=O)NC1CCCCCC1 ZINC000021864426 568755703 /nfs/dbraw/zinc/75/57/03/568755703.db2.gz UHVFYRZQORHOOQ-XMMPIXPASA-N 0 0 411.546 4.602 50 0 HJAARN CSC1=N[C@@H](c2ccc(Br)cc2)C(C(=O)Nc2ccccc2)=C(C)N1 ZINC000000950012 568755976 /nfs/dbraw/zinc/75/59/76/568755976.db2.gz XFIYEOMWHRCMDZ-KRWDZBQOSA-N 0 0 416.344 4.725 50 0 HJAARN CCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccc(F)cc2C)C1 ZINC000086077553 568756383 /nfs/dbraw/zinc/75/63/83/568756383.db2.gz ZHTMCSUVMYFAKI-QGZVFWFLSA-N 0 0 422.504 4.721 50 0 HJAARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(O)c2)n2nc(-c3ccccc3)nc2N1 ZINC000000950575 568756904 /nfs/dbraw/zinc/75/69/04/568756904.db2.gz LHWLWOBWRTWWEA-JOCHJYFZSA-N 0 0 423.476 4.578 50 0 HJAARN CCOC(=O)c1cnc2ccc(Br)cc2c1Nc1cccc(OC)c1 ZINC000000951945 568757199 /nfs/dbraw/zinc/75/71/99/568757199.db2.gz YPLRRDLUXCTZJN-UHFFFAOYSA-N 0 0 401.260 4.926 50 0 HJAARN CC(C)n1c2ccccc2c2nnc(SCC(=O)Nc3ccc(F)c(F)c3)nc21 ZINC000000969353 568758747 /nfs/dbraw/zinc/75/87/47/568758747.db2.gz OGLGZWGTHKPEEB-UHFFFAOYSA-N 0 0 413.453 4.569 50 0 HJAARN CCOc1ccc(CNC(=O)c2cc(-c3cccnc3)nc3ccccc32)cc1OC ZINC000021935346 568762058 /nfs/dbraw/zinc/76/20/58/568762058.db2.gz HRJITNIVQBRPDJ-UHFFFAOYSA-N 0 0 413.477 4.634 50 0 HJAARN CCC(C)(C)[C@H]1CCc2nc3sc(C(=O)Nc4nnc(C)s4)c(N)c3cc2C1 ZINC000096581832 568762642 /nfs/dbraw/zinc/76/26/42/568762642.db2.gz RMGRFJYUMUJACP-LBPRGKRZSA-N 0 0 415.588 4.832 50 0 HJAARN O=C(c1cccc(Cl)c1)N1NC(C(F)(F)F)=C[C@@]1(O)c1ccc(Cl)cc1 ZINC000001022935 568763739 /nfs/dbraw/zinc/76/37/39/568763739.db2.gz AJYREMZOBNOKSW-MRXNPFEDSA-N 0 0 403.187 4.603 50 0 HJAARN CC[C@H](C)COC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)[C@H](O)C(=O)OC ZINC000334163119 568763873 /nfs/dbraw/zinc/76/38/73/568763873.db2.gz LZIZKTVPTAHZCV-IFXJQAMLSA-N 0 0 411.325 4.834 50 0 HJAARN CC(C)[C@@H](NC(=O)c1ccccc1Br)c1nc(-c2ccccc2)no1 ZINC000334163220 568764123 /nfs/dbraw/zinc/76/41/23/568764123.db2.gz XCECLIVJFPEZSO-MRXNPFEDSA-N 0 0 400.276 4.626 50 0 HJAARN Cc1cc(Br)ccc1NC(=O)c1cccc(I)c1 ZINC000001054263 568764299 /nfs/dbraw/zinc/76/42/99/568764299.db2.gz LNLPUEKPTZURMI-UHFFFAOYSA-N 0 0 416.056 4.614 50 0 HJAARN C[C@@H](Sc1n[nH]c(C=Cc2ccc(F)cc2)n1)C(=O)N1CCCc2ccccc21 ZINC000096942211 568765556 /nfs/dbraw/zinc/76/55/56/568765556.db2.gz OPHLDNVOZUVUOO-VSKPTYQZSA-N 0 0 408.502 4.574 50 0 HJAARN O=C([C@@H](Sc1n[nH]c(C=Cc2ccc(F)cc2)n1)c1ccccc1)N1CCCCC1 ZINC000096942226 568765574 /nfs/dbraw/zinc/76/55/74/568765574.db2.gz HFGUSCKOOFSGMP-SZRHCGQDSA-N 0 0 422.529 4.960 50 0 HJAARN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)[C@H]1CCCN1c1nccs1 ZINC000096997989 568766128 /nfs/dbraw/zinc/76/61/28/568766128.db2.gz CJRUPCFAXWZXCO-GFCCVEGCSA-N 0 0 420.254 4.532 50 0 HJAARN COc1cc(/C=C2/N=C(c3ccco3)OC2=O)cc(Cl)c1OC(=O)c1ccccc1 ZINC000001067505 568766682 /nfs/dbraw/zinc/76/66/82/568766682.db2.gz JBBDOMVCAXSESN-LFIBNONCSA-N 0 0 423.808 4.505 50 0 HJAARN CCCC(=O)Nc1cccc(NC(=O)c2ccc(OCC)c(Br)c2)c1 ZINC000001100137 568768776 /nfs/dbraw/zinc/76/87/76/568768776.db2.gz QJMIJEIGYHHNLV-UHFFFAOYSA-N 0 0 405.292 4.839 50 0 HJAARN COc1ccccc1NC(=O)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 ZINC000022507635 568768868 /nfs/dbraw/zinc/76/88/68/568768868.db2.gz ZRKWHLCBPFKBQX-UHFFFAOYSA-N 0 0 401.466 4.819 50 0 HJAARN COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)cc(Cl)c1OC(=O)c1ccco1 ZINC000001118142 568771113 /nfs/dbraw/zinc/77/11/13/568771113.db2.gz OLBBJXPRIKWGNH-LFIBNONCSA-N 0 0 423.808 4.505 50 0 HJAARN Cc1ccc([C@H](c2sc3ncnn3c2[O-])[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000022609255 568771785 /nfs/dbraw/zinc/77/17/85/568771785.db2.gz RLHAABWUEQPUKM-OAQYLSRUSA-N 0 0 418.566 4.849 50 0 HJAARN [O-]c1c([C@@H](c2cccs2)[NH+]2CCC(Cc3ccccc3)CC2)sc2ncnn12 ZINC000022610152 568771940 /nfs/dbraw/zinc/77/19/40/568771940.db2.gz HAOZDZYUCQJXDS-GOSISDBHSA-N 0 0 410.568 4.602 50 0 HJAARN O=C(CSc1ncnc2sc3c(c21)CCC3)c1ccc(Br)cc1 ZINC000001105522 568772072 /nfs/dbraw/zinc/77/20/72/568772072.db2.gz HRGQAHPKLRNKMB-UHFFFAOYSA-N 0 0 405.342 4.918 50 0 HJAARN COc1ccc(Br)c(C(=O)NCc2cccnc2-c2ccsc2)c1 ZINC000225645548 568778117 /nfs/dbraw/zinc/77/81/17/568778117.db2.gz ZHPFTSCIMWPOCJ-UHFFFAOYSA-N 0 0 403.301 4.511 50 0 HJAARN COc1ccc([C@H]2SCCN2C(=O)Nc2ccc(F)cc2)cc1Br ZINC000028232310 568783167 /nfs/dbraw/zinc/78/31/67/568783167.db2.gz OCPKSKAGLQDCPL-MRXNPFEDSA-N 0 0 411.296 4.876 50 0 HJAARN O=C(NCCc1ccc(F)cc1)c1ccccc1SCc1cn2ccccc2n1 ZINC000028276694 568783723 /nfs/dbraw/zinc/78/37/23/568783723.db2.gz ZKIYHSDIUKDDJR-UHFFFAOYSA-N 0 0 405.498 4.738 50 0 HJAARN Cc1cc(C(=O)CSc2nnc3ccccn32)c(C)n1CCc1ccc(F)cc1 ZINC000002618490 568786271 /nfs/dbraw/zinc/78/62/71/568786271.db2.gz AQYDRTZQWMIAJW-UHFFFAOYSA-N 0 0 408.502 4.504 50 0 HJAARN CCc1cc2c(ncnc2SCC(=O)Nc2nc(C)c(Cl)cc2Cl)s1 ZINC000002618641 568786472 /nfs/dbraw/zinc/78/64/72/568786472.db2.gz SJFHDVQEGCEEHM-UHFFFAOYSA-N 0 0 413.355 4.995 50 0 HJAARN O=C(CSc1nnc(-c2cccs2)o1)NC(c1ccccc1)c1ccccc1 ZINC000002621236 568787795 /nfs/dbraw/zinc/78/77/95/568787795.db2.gz OEQDNTRGVNEHBN-UHFFFAOYSA-N 0 0 407.520 4.796 50 0 HJAARN C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1)c1ccccc1 ZINC000002623735 568788562 /nfs/dbraw/zinc/78/85/62/568788562.db2.gz UOQNPIASMGJKEU-QGZVFWFLSA-N 0 0 418.522 4.556 50 0 HJAARN COc1ccc(-n2c(S[C@@H]3CCCCC3=O)nnc2-c2ccccc2OC)cc1 ZINC000002625935 568789257 /nfs/dbraw/zinc/78/92/57/568789257.db2.gz RZIPTUXJRTVRGR-HXUWFJFHSA-N 0 0 409.511 4.555 50 0 HJAARN O=C(COC(=O)CCC(=O)c1cccs1)Nc1cccc(Oc2ccccc2)c1 ZINC000002632382 568791123 /nfs/dbraw/zinc/79/11/23/568791123.db2.gz PBBQPSOTVBDRLU-UHFFFAOYSA-N 0 0 409.463 4.685 50 0 HJAARN CN(C)C(=O)COC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc21 ZINC000002632192 568791165 /nfs/dbraw/zinc/79/11/65/568791165.db2.gz FTKMLKWYWQIKBM-UHFFFAOYSA-N 0 0 410.473 4.814 50 0 HJAARN C[C@H](OC(=O)c1cnc(Cl)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002633536 568791544 /nfs/dbraw/zinc/79/15/44/568791544.db2.gz HKVKOSKHGIQYNX-QMMMGPOBSA-N 0 0 407.175 4.591 50 0 HJAARN Cc1cc(C(=O)CSc2nc3ccccc3c(=O)n2-c2cccc(C)c2)c(C)n1C ZINC000002634235 568791656 /nfs/dbraw/zinc/79/16/56/568791656.db2.gz GMUUFWVMUNGCTP-UHFFFAOYSA-N 0 0 417.534 4.624 50 0 HJAARN CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1C ZINC000002636373 568792177 /nfs/dbraw/zinc/79/21/77/568792177.db2.gz CKBBJBJNBUCUJY-QGZVFWFLSA-N 0 0 420.465 4.810 50 0 HJAARN O=C(Nc1cccc(I)c1)c1c2c(nc3ccccc31)CCC2 ZINC000002636048 568792224 /nfs/dbraw/zinc/79/22/24/568792224.db2.gz XVFFWMIAQROGTO-UHFFFAOYSA-N 0 0 414.246 4.580 50 0 HJAARN CC(C)(C)c1ccc(NC(=O)COc2ncnc3ccc(Br)cc32)cc1 ZINC000002636313 568792240 /nfs/dbraw/zinc/79/22/40/568792240.db2.gz RQYOYZFDSJUNCR-UHFFFAOYSA-N 0 0 414.303 4.707 50 0 HJAARN Cc1cc(=O)oc2cc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)ccc12 ZINC000002637050 568792415 /nfs/dbraw/zinc/79/24/15/568792415.db2.gz VZPSNWLFNXRFOU-UHFFFAOYSA-N 0 0 417.792 4.574 50 0 HJAARN CCC[C@@H](C)NC(=O)COC(=O)c1sc2c(ccc(OC)c2Cl)c1Cl ZINC000002640693 568793499 /nfs/dbraw/zinc/79/34/99/568793499.db2.gz HQRKSVXBOGIMAQ-SECBINFHSA-N 0 0 404.315 4.678 50 0 HJAARN C[C@@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)NCCC1=CCCCC1 ZINC000002642610 568794036 /nfs/dbraw/zinc/79/40/36/568794036.db2.gz BSQPLPHWGHVZDG-CYBMUJFWSA-N 0 0 406.552 4.908 50 0 HJAARN Cc1[nH]c2ccccc2c1C(=O)CSc1n[nH]c(COc2ccc(Cl)cc2)n1 ZINC000002645224 568794725 /nfs/dbraw/zinc/79/47/25/568794725.db2.gz BWTGLQUPPIKFAR-UHFFFAOYSA-N 0 0 412.902 4.802 50 0 HJAARN O=C(Nc1cccc(Br)c1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000002648652 568795718 /nfs/dbraw/zinc/79/57/18/568795718.db2.gz KZTGHNBXSURTGL-AWEZNQCLSA-N 0 0 421.722 4.593 50 0 HJAARN Cc1ccccc1-c1nnc(SCCOc2cccc(Br)c2)n1C ZINC000002653674 568797129 /nfs/dbraw/zinc/79/71/29/568797129.db2.gz NDRNNFQBHSEBFS-UHFFFAOYSA-N 0 0 404.333 4.724 50 0 HJAARN O=C(CSc1ncnc2sc(-c3ccccc3)cc21)NCCc1ccc(F)cc1 ZINC000002657982 568798395 /nfs/dbraw/zinc/79/83/95/568798395.db2.gz VDVIPJJQROYQCP-UHFFFAOYSA-N 0 0 423.538 4.948 50 0 HJAARN COC[C@H](C)n1c(S[C@@H](C)C(=O)c2cccc(Cl)c2)nc2ccccc2c1=O ZINC000002665000 568800015 /nfs/dbraw/zinc/80/00/15/568800015.db2.gz QRFPELOWMLTXQO-KBPBESRZSA-N 0 0 416.930 4.621 50 0 HJAARN Cc1cccc(CC(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@@H]2c2ccc(F)cc2)c1 ZINC000002724484 568803472 /nfs/dbraw/zinc/80/34/72/568803472.db2.gz XJFADCONNCXEGJ-DEOSSOPVSA-N 0 0 422.887 4.900 50 0 HJAARN CCOc1ccc(C(=O)N2CC(=O)Nc3ccc(C)cc3[C@H]2c2ccc(F)cc2)cc1 ZINC000002724213 568803515 /nfs/dbraw/zinc/80/35/15/568803515.db2.gz KZYROAFHLRIUMD-XMMPIXPASA-N 0 0 418.468 4.717 50 0 HJAARN CCn1cc(-c2ccnc(SCC(=O)Nc3c(Cl)cccc3Cl)n2)c(C)n1 ZINC000002731605 568804772 /nfs/dbraw/zinc/80/47/72/568804772.db2.gz MQUSCEAKEVENNM-UHFFFAOYSA-N 0 0 422.341 4.706 50 0 HJAARN CCOc1ccc(NCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1 ZINC000002887524 568814597 /nfs/dbraw/zinc/81/45/97/568814597.db2.gz ISKUVNFWGKRPSZ-UHFFFAOYSA-N 0 0 401.919 4.837 50 0 HJAARN CCCCn1c(SCC(=O)N(CC)c2cccc(C)c2)nc2ccsc2c1=O ZINC000002909272 568815454 /nfs/dbraw/zinc/81/54/54/568815454.db2.gz RMNYIOIQFUDBRS-UHFFFAOYSA-N 0 0 415.584 4.712 50 0 HJAARN FC(F)Oc1ccccc1[C@@H]1C[C@H](c2cccc(Br)c2)Nc2ncnn21 ZINC000002918220 568816633 /nfs/dbraw/zinc/81/66/33/568816633.db2.gz ORFFTVRLIRPJRA-CABCVRRESA-N 0 0 421.245 4.788 50 0 HJAARN CC[C@H](C)COC(=O)c1sc2ncn(Cc3ccccc3Cl)c(=O)c2c1C ZINC000002920001 568816745 /nfs/dbraw/zinc/81/67/45/568816745.db2.gz DEFZFNNHGNENNB-LBPRGKRZSA-N 0 0 404.919 4.671 50 0 HJAARN CC(=O)O[C@H](C)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257355770 568817911 /nfs/dbraw/zinc/81/79/11/568817911.db2.gz COXXOOWTEWCQRW-YLCDMYTGSA-N 0 0 420.590 4.644 50 0 HJAARN COC(=O)[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC(=O)[C@@]21C ZINC000257356758 568818087 /nfs/dbraw/zinc/81/80/87/568818087.db2.gz KCWRJZPEFSQWMV-WTDIADLESA-N 0 0 418.574 4.565 50 0 HJAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)NC2CCCCCC2)c1C ZINC000002929774 568818148 /nfs/dbraw/zinc/81/81/48/568818148.db2.gz AABXBLYNOIGQIZ-UHFFFAOYSA-N 0 0 400.494 4.618 50 0 HJAARN O=C1CS[C@H](c2cccc(Br)c2)N1c1ccc(Br)cc1 ZINC000002947461 568819973 /nfs/dbraw/zinc/81/99/73/568819973.db2.gz GBWLVAJFUDJUQY-OAHLLOKOSA-N 0 0 413.134 4.990 50 0 HJAARN C[C@@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccccc1OC(F)F ZINC000029138529 568820913 /nfs/dbraw/zinc/82/09/13/568820913.db2.gz UECNZQDRPAVODZ-CYBMUJFWSA-N 0 0 404.388 4.892 50 0 HJAARN CCOC(=O)c1ccc(-c2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCC5)o2)cc1 ZINC000001172151 568821400 /nfs/dbraw/zinc/82/14/00/568821400.db2.gz PSRBCVFZJRAUKM-UHFFFAOYSA-N 0 0 420.490 4.967 50 0 HJAARN CCC(=O)OC[C@@]12CO[C@H](c3ccccc3OC(=O)CC)[C@@H](C(C)=C[C@@H]1C)[C@H]2C ZINC000001203418 568823790 /nfs/dbraw/zinc/82/37/90/568823790.db2.gz SILOCWNFXQCZOK-DDTFRGHOSA-N 0 0 400.515 4.861 50 0 biogenic HJAARN Cc1cc(C)c2c(n1)sc1c2ncnc1N1CCN(Cc2ccccc2Cl)CC1 ZINC000057135233 568824368 /nfs/dbraw/zinc/82/43/68/568824368.db2.gz DPWHWIYFNKEXGB-UHFFFAOYSA-N 0 0 423.973 4.832 50 0 HJAARN CC(C)c1ccc([C@H](NCC(=O)Nc2ccc3c(c2)OCCO3)c2cccs2)cc1 ZINC000057273752 568825611 /nfs/dbraw/zinc/82/56/11/568825611.db2.gz QLVKHYFCTXODGZ-DEOSSOPVSA-N 0 0 422.550 4.960 50 0 HJAARN Cn1c(SCC(=O)NCC2CCCCC2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000005857562 568826102 /nfs/dbraw/zinc/82/61/02/568826102.db2.gz XUERZQJNXXGRMC-UHFFFAOYSA-N 0 0 400.592 4.568 50 0 HJAARN COc1ccc(-c2csc(NC(=O)c3cc(C)nc4ccccc43)n2)cc1OC ZINC000005860548 568826306 /nfs/dbraw/zinc/82/63/06/568826306.db2.gz SOCCPPFPYRIOBV-UHFFFAOYSA-N 0 0 405.479 4.936 50 0 HJAARN COc1ccc(C2=NN(C(=O)COc3ccccc3Cl)[C@H](c3ccco3)C2)cc1 ZINC000005862253 568826479 /nfs/dbraw/zinc/82/64/79/568826479.db2.gz KLNJTUYTGDBCKS-IBGZPJMESA-N 0 0 410.857 4.698 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1n[nH]c(-c2ccc(C)cc2)n1 ZINC000005867219 568827025 /nfs/dbraw/zinc/82/70/25/568827025.db2.gz UMIZDCDVADAIEM-LBPRGKRZSA-N 0 0 402.907 4.561 50 0 HJAARN Cc1ccccc1-c1noc(C[C@@H](c2ccccc2)N2C(=O)c3ccccc3C2=O)n1 ZINC000057354834 568827569 /nfs/dbraw/zinc/82/75/69/568827569.db2.gz SCKJMNHPZDDZAN-NRFANRHFSA-N 0 0 409.445 4.625 50 0 HJAARN C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)N1CCc2ccccc21 ZINC000005887105 568827908 /nfs/dbraw/zinc/82/79/08/568827908.db2.gz FOKYUJUUAFGEQW-INIZCTEOSA-N 0 0 416.506 4.597 50 0 HJAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)c1ccc2c(c1)CCC2 ZINC000005887651 568827946 /nfs/dbraw/zinc/82/79/46/568827946.db2.gz AZFOEQKHQTUBQZ-UHFFFAOYSA-N 0 0 412.518 4.793 50 0 HJAARN CC(C)c1ccc(-c2nc(CN3CCN(C(=O)c4ccccc4)CC3)cs2)cc1 ZINC000029630189 568827993 /nfs/dbraw/zinc/82/79/93/568827993.db2.gz HUVNHULYBOEJOM-UHFFFAOYSA-N 0 0 405.567 4.892 50 0 HJAARN Cc1cccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccccc2C)c1 ZINC000002953953 568829599 /nfs/dbraw/zinc/82/95/99/568829599.db2.gz HQMOLDNDOXVREJ-RFBIWTDZSA-N 0 0 413.477 4.730 50 0 HJAARN COc1ccc(C(C)(C)C)cc1NC(=O)CNc1cc(OC)c(Cl)cc1OC ZINC000005933348 568830099 /nfs/dbraw/zinc/83/00/99/568830099.db2.gz BCZZLLSNQOCVPA-UHFFFAOYSA-N 0 0 406.910 4.714 50 0 HJAARN O=C1[C@H](Cc2ccccc2)N=C2c3ccccc3N=C(SCc3cccc(F)c3)N12 ZINC000002964387 568830553 /nfs/dbraw/zinc/83/05/53/568830553.db2.gz RNBPUNYQRUUBLR-NRFANRHFSA-N 0 0 415.493 4.960 50 0 HJAARN CCc1ccc(NC(=O)[C@@H](CC)Sc2nc3ccccc3c3nc(C)nn32)cc1 ZINC000002969564 568831419 /nfs/dbraw/zinc/83/14/19/568831419.db2.gz FVACVOFKKDDSCP-LJQANCHMSA-N 0 0 405.527 4.658 50 0 HJAARN C[C@@H](N[C@H](C)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000057405934 568832773 /nfs/dbraw/zinc/83/27/73/568832773.db2.gz ACBAQSNJBWUMHR-HUUCEWRRSA-N 0 0 422.356 4.508 50 0 HJAARN CCOC(=O)c1c(NC(=S)N2CCc3ccccc3C2)sc2c1CCCCC2 ZINC000005979972 568833854 /nfs/dbraw/zinc/83/38/54/568833854.db2.gz FSGBLROEHDDEGK-UHFFFAOYSA-N 0 0 414.596 4.949 50 0 HJAARN CC(C)CCn1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(F)cc1F ZINC000057426023 568834961 /nfs/dbraw/zinc/83/49/61/568834961.db2.gz JREZZLGELUITMP-UHFFFAOYSA-N 0 0 423.510 4.513 50 0 HJAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCC(C)C)cc1C ZINC000057426082 568834980 /nfs/dbraw/zinc/83/49/80/568834980.db2.gz JQXJKAGZRWCTLE-UHFFFAOYSA-N 0 0 415.584 4.852 50 0 HJAARN O=C(CSc1n[nH]c(-c2cccs2)n1)Nc1ccccc1Cc1ccccc1 ZINC000006035352 568836045 /nfs/dbraw/zinc/83/60/45/568836045.db2.gz MPUYWXLOGXIRHY-UHFFFAOYSA-N 0 0 406.536 4.855 50 0 HJAARN CC(=O)N(c1nc(Cn2cnc3sccc3c2=O)cs1)c1c(C)cc(C)cc1C ZINC000031641141 568837333 /nfs/dbraw/zinc/83/73/33/568837333.db2.gz RFZAYTWQBLDIQN-UHFFFAOYSA-N 0 0 424.551 4.573 50 0 HJAARN O=C(NC1CC1)[C@@H](Sc1nnc(Nc2ccccc2)s1)c1ccc(F)cc1 ZINC000012476571 568838615 /nfs/dbraw/zinc/83/86/15/568838615.db2.gz XKMJFIABEMUJQY-INIZCTEOSA-N 0 0 400.504 4.533 50 0 HJAARN O=C(CNc1ccccc1N1CCCC1=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000012514075 568840262 /nfs/dbraw/zinc/84/02/62/568840262.db2.gz BLFBXPFZBLYFBM-UHFFFAOYSA-N 0 0 411.811 4.536 50 0 HJAARN Cc1nc(S[C@H](C(=O)N2CCCCC2)c2ccccc2)n(C[C@H]2CCCO2)c1C ZINC000012520005 568840795 /nfs/dbraw/zinc/84/07/95/568840795.db2.gz SJNVZLUUEWSWLQ-RTWAWAEBSA-N 0 0 413.587 4.525 50 0 HJAARN CCCS(=O)(=O)Nc1cccc(C(=O)Nc2nc(-c3ccc(C)s3)cs2)c1 ZINC000012521150 568841732 /nfs/dbraw/zinc/84/17/32/568841732.db2.gz CSZKQLQNPBGRBD-UHFFFAOYSA-N 0 0 421.569 4.584 50 0 HJAARN CCCc1noc([C@@H](C)Sc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)n1 ZINC000012522249 568842076 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Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cccc(C)c2)c1 ZINC000057487418 568843330 /nfs/dbraw/zinc/84/33/30/568843330.db2.gz XCFQOYJLKIPYFI-UHFFFAOYSA-N 0 0 421.547 4.795 50 0 HJAARN CCOc1ccc(OCC)c(NC(=O)COc2cccc(Oc3ccccn3)c2)c1 ZINC000012526736 568843431 /nfs/dbraw/zinc/84/34/31/568843431.db2.gz SMFUDJNQIRKOFT-UHFFFAOYSA-N 0 0 408.454 4.689 50 0 HJAARN O=C(COC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)Nc1ccccc1Sc1ccccc1 ZINC000012528841 568844051 /nfs/dbraw/zinc/84/40/51/568844051.db2.gz PLJUDWKUAJOUEG-JWTNVVGKSA-N 0 0 423.534 4.715 50 0 HJAARN Cc1cc(C(=O)CSc2nc3cc(Cl)ccc3[nH]2)c(C)n1C[C@H]1CCCO1 ZINC000012533397 568844719 /nfs/dbraw/zinc/84/47/19/568844719.db2.gz PLBKICGTBFIHNH-OAHLLOKOSA-N 0 0 403.935 4.789 50 0 HJAARN Cc1nc2c(C(=O)NCCc3ccc(Cl)cc3)cnn2c(C)c1Cc1ccccc1 ZINC000003033627 568845328 /nfs/dbraw/zinc/84/53/28/568845328.db2.gz ZJXMWMOCEDKPJT-UHFFFAOYSA-N 0 0 418.928 4.563 50 0 HJAARN Cc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2CCc2ccccc2Cl)cc1 ZINC000003036176 568845759 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C[C@@H](Nc1nc(-c2cccnc2)nc2sc3c(c21)CC[C@@H](C)C3)C(=O)NC(C)(C)C ZINC000058003985 568874379 /nfs/dbraw/zinc/87/43/79/568874379.db2.gz OZATVCHJPPNZBM-ZIAGYGMSSA-N 0 0 423.586 4.593 50 0 HJAARN O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000003307584 568877576 /nfs/dbraw/zinc/87/75/76/568877576.db2.gz PUVBHUUNIQSTGX-UHFFFAOYSA-N 0 0 408.159 4.688 50 0 HJAARN Cc1ccc(Cn2c(SCC(=O)c3ccccc3)nc3ccccc3c2=O)cc1 ZINC000003314682 568878969 /nfs/dbraw/zinc/87/89/69/568878969.db2.gz BYTSSNPAXNPOLM-UHFFFAOYSA-N 0 0 400.503 4.728 50 0 HJAARN CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CN(C)c1ccccc1 ZINC000003320633 568880202 /nfs/dbraw/zinc/88/02/02/568880202.db2.gz HNSRAPWCWLLJLT-UHFFFAOYSA-N 0 0 412.486 4.806 50 0 HJAARN Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)Nc3c(Cl)cccc3Cl)cc2)n1 ZINC000003321433 568880443 /nfs/dbraw/zinc/88/04/43/568880443.db2.gz XGKCMRPSDYYKID-UHFFFAOYSA-N 0 0 418.280 4.591 50 0 HJAARN O=S(=O)(Nc1ccccc1Br)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000003324487 568880944 /nfs/dbraw/zinc/88/09/44/568880944.db2.gz NXRPXLUBYHVYGK-UHFFFAOYSA-N 0 0 414.630 4.922 50 0 HJAARN COc1ccc(CC(=O)Nc2ccc(-c3nc4cccnc4s3)cc2C)cc1OC ZINC000004063067 568881791 /nfs/dbraw/zinc/88/17/91/568881791.db2.gz FWHLAAFNOIXRPP-UHFFFAOYSA-N 0 0 419.506 4.865 50 0 HJAARN O=c1nc(CSc2ccc(Br)cc2)[nH]c2sc3c(c21)CCCC3 ZINC000003331258 568882006 /nfs/dbraw/zinc/88/20/06/568882006.db2.gz FZRWRSQGVLNACH-UHFFFAOYSA-N 0 0 407.358 4.918 50 0 HJAARN Cc1cc(C(=O)CSc2nncn2-c2ccccc2)c(C)n1Cc1ccccc1 ZINC000003343864 568884199 /nfs/dbraw/zinc/88/41/99/568884199.db2.gz DWCZXCZKESHSKR-UHFFFAOYSA-N 0 0 402.523 4.709 50 0 HJAARN Cn1nc2c(c1NC(=O)C[C@@H](c1cccc3ccccc31)n1cccc1)CSC2 ZINC000263588623 568884338 /nfs/dbraw/zinc/88/43/38/568884338.db2.gz WHOBZIBVVFMNDA-NRFANRHFSA-N 0 0 402.523 4.740 50 0 HJAARN COc1ccc(NC(=S)N2CCCN(Cc3cc(C)ccc3C)C2)cc1Cl ZINC000058096697 568885440 /nfs/dbraw/zinc/88/54/40/568885440.db2.gz NIUFKEARQCTODE-UHFFFAOYSA-N 0 0 403.979 4.828 50 0 HJAARN Cn1c([C@@H]2Sc3ccccc3NC2=O)ccc1[C@@H]1Sc2ccccc2NC1=O ZINC000003353371 568886224 /nfs/dbraw/zinc/88/62/24/568886224.db2.gz YVYPZZKMPZYZJS-OALUTQOASA-N 0 0 407.520 4.596 50 0 HJAARN CCOC(=O)c1cc(NC(=O)Nc2ccc(Br)c(C)c2)c(C)nc1C ZINC000003354235 568886337 /nfs/dbraw/zinc/88/63/37/568886337.db2.gz GNBSLTWCLNMIGH-UHFFFAOYSA-N 0 0 406.280 4.590 50 0 HJAARN C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1ccc2c(c1)OCO2 ZINC000003356331 568886762 /nfs/dbraw/zinc/88/67/62/568886762.db2.gz PHQRTARQPPSHTH-QMMMGPOBSA-N 0 0 404.797 4.602 50 0 HJAARN CC(=O)N(c1nc(CSc2nnc3[nH]c4ccccc4n32)cs1)c1ccccc1 ZINC000003356813 568886940 /nfs/dbraw/zinc/88/69/40/568886940.db2.gz NVRXYSMOYQZGCK-UHFFFAOYSA-N 0 0 420.523 4.644 50 0 HJAARN Cc1ccc(CNC(=O)COc2ncnc3scc(-c4ccc(F)cc4)c32)cc1 ZINC000003366158 568889071 /nfs/dbraw/zinc/88/90/71/568889071.db2.gz AFFIWJFGOVSFHB-UHFFFAOYSA-N 0 0 407.470 4.501 50 0 HJAARN Cc1sc2[nH]c(COC(=O)c3cccc(Oc4ccccc4)c3)nc(=O)c2c1C ZINC000003376570 568891300 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Cc1cccc(C)c1NC(=O)CN(C)C(=O)CCCOc1ccc(Cl)cc1C ZINC000003421352 568899985 /nfs/dbraw/zinc/89/99/85/568899985.db2.gz ADGALFKLSDDEFH-UHFFFAOYSA-N 0 0 402.922 4.521 50 0 HJAARN Cc1ccsc1C(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccco1 ZINC000003422866 568900244 /nfs/dbraw/zinc/90/02/44/568900244.db2.gz UBUMSMHEDVWERV-UHFFFAOYSA-N 0 0 422.428 4.949 50 0 HJAARN Cc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000003431232 568901949 /nfs/dbraw/zinc/90/19/49/568901949.db2.gz COFSDZIGKXLHKR-UHFFFAOYSA-N 0 0 417.509 4.605 50 0 HJAARN Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)sc2nc3n(c(=O)c12)CCC3 ZINC000003435799 568902681 /nfs/dbraw/zinc/90/26/81/568902681.db2.gz WOQWZOVLUYFODG-UHFFFAOYSA-N 0 0 417.490 4.757 50 0 HJAARN CCn1c(S[C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)nnc1-c1cccs1 ZINC000003438905 568903178 /nfs/dbraw/zinc/90/31/78/568903178.db2.gz NSYQXSLCRCYJTO-LLVKDONJSA-N 0 0 417.585 4.795 50 0 HJAARN Cc1oc(-c2ccccc2)nc1C(=O)O[C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl ZINC000003453359 568906172 /nfs/dbraw/zinc/90/61/72/568906172.db2.gz FAXBNDHFAMQRNG-NSHDSACASA-N 0 0 420.252 4.536 50 0 HJAARN CC(C)Sc1nnc2n1c1sc3c(c1c(=O)n2CCc1ccccc1)CCCC3 ZINC000001237062 568906581 /nfs/dbraw/zinc/90/65/81/568906581.db2.gz FQRIDFBVSFYDBF-UHFFFAOYSA-N 0 0 424.595 4.728 50 0 HJAARN COc1ccc(-c2cc3ccc(OC(=O)c4cccs4)cc3oc2=O)cc1OC ZINC000001237919 568906961 /nfs/dbraw/zinc/90/69/61/568906961.db2.gz STLAPPHUJWEDQH-UHFFFAOYSA-N 0 0 408.431 4.758 50 0 HJAARN CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1cc2cc3c(cc2nc1Cl)OCCO3 ZINC000001246952 568908607 /nfs/dbraw/zinc/90/86/07/568908607.db2.gz WDTMAFQMBUBRPT-HXUWFJFHSA-N 0 0 421.884 4.665 50 0 HJAARN Cc1cccc(-n2c(SCC(=O)NC(C)C)nnc2-c2ccc(Cl)cc2)c1 ZINC000003483282 568908675 /nfs/dbraw/zinc/90/86/75/568908675.db2.gz RHVAFMKFJYZOOP-UHFFFAOYSA-N 0 0 400.935 4.513 50 0 HJAARN COc1cccc(NC(=O)c2sc3nc(-c4cccc(OC)c4)ccc3c2N)c1 ZINC000001257937 568909174 /nfs/dbraw/zinc/90/91/74/568909174.db2.gz IVIWMNTUOZUHPJ-UHFFFAOYSA-N 0 0 405.479 4.815 50 0 HJAARN O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000031039919 568910517 /nfs/dbraw/zinc/91/05/17/568910517.db2.gz HHZZBLAZIKQRDO-QFIPXVFZSA-N 0 0 420.534 4.534 50 0 HJAARN FC(F)(F)c1cccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccccc3)OC4)n2)c1 ZINC000263616043 568910802 /nfs/dbraw/zinc/91/08/02/568910802.db2.gz GQQPNIKAESUNQP-GOSISDBHSA-N 0 0 412.371 4.890 50 0 HJAARN Fc1ccc([C@H]2Cn3nc(-c4nc(-c5ccc(Cl)c(F)c5)no4)cc3CO2)cc1 ZINC000263616336 568910893 /nfs/dbraw/zinc/91/08/93/568910893.db2.gz IDOGPDCQEUJNIG-GOSISDBHSA-N 0 0 414.799 4.803 50 0 HJAARN FC(F)(F)c1ccc(-c2noc(-c3ncn4c3CO[C@@H](c3ccccc3)C4)n2)cc1 ZINC000263616120 568911289 /nfs/dbraw/zinc/91/12/89/568911289.db2.gz HEAHVWLXIKAFTD-QGZVFWFLSA-N 0 0 412.371 4.890 50 0 HJAARN Cc1ccc([C@H](O)Cn2ccn3nc(-c4ccc(C(C)C)cc4)cc3c2=O)c(C)c1 ZINC000263617668 568911523 /nfs/dbraw/zinc/91/15/23/568911523.db2.gz OYJFBFHIVGYZCI-XMMPIXPASA-N 0 0 401.510 4.637 50 0 HJAARN COc1ccc(CSc2nc3sc4c(c3c(N)n2)C[C@@H](C(C)C)OC4)cc1 ZINC000001296576 568912971 /nfs/dbraw/zinc/91/29/71/568912971.db2.gz ZRXYGJPOLLOREZ-HNNXBMFYSA-N 0 0 401.557 4.672 50 0 HJAARN COc1ccc(CN(CC[C@H](c2ccccc2)c2ccc3c(c2)OCO3)C(C)=O)cc1 ZINC000001321637 568914604 /nfs/dbraw/zinc/91/46/04/568914604.db2.gz LDOFBEQHEPICKS-XMMPIXPASA-N 0 0 417.505 4.995 50 0 biogenic HJAARN COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NCCc1cccs1 ZINC000012696868 568916773 /nfs/dbraw/zinc/91/67/73/568916773.db2.gz JCMKAPFGVDXCOC-UHFFFAOYSA-N 0 0 403.507 4.582 50 0 HJAARN Cc1ccc2nc(COC(=O)c3cc(-c4ccco4)nc4c3cnn4C(C)C)cn2c1 ZINC000031172702 568916942 /nfs/dbraw/zinc/91/69/42/568916942.db2.gz BAOGKHFJNSOUSE-UHFFFAOYSA-N 0 0 415.453 4.585 50 0 HJAARN O=C(/C=C/c1ccc(Br)cc1)NCc1ccc(N2CCCCCC2)nc1 ZINC000058413903 568917015 /nfs/dbraw/zinc/91/70/15/568917015.db2.gz LYISVBLITVBBAC-XYOKQWHBSA-N 0 0 414.347 4.554 50 0 HJAARN CCn1c(=S)n(CN2C[C@@H](c3ccccc3Cl)OCC2(C)C)nc1C1CC1 ZINC000083836821 568917891 /nfs/dbraw/zinc/91/78/91/568917891.db2.gz YBJHOYAIMHQOMJ-KRWDZBQOSA-N 0 0 406.983 4.774 50 0 HJAARN CN(C(=O)Nc1cccc2c1OCCO2)[C@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000083843889 568918568 /nfs/dbraw/zinc/91/85/68/568918568.db2.gz RCBJJJURAYNIRO-FQEVSTJZSA-N 0 0 409.873 4.760 50 0 HJAARN O=C(CSc1nnc(-c2ccccc2)o1)NC(c1ccccc1)c1ccccc1 ZINC000003602703 568919210 /nfs/dbraw/zinc/91/92/10/568919210.db2.gz AQDPDKSGAKFFRT-UHFFFAOYSA-N 0 0 401.491 4.735 50 0 HJAARN CN(C)c1ncccc1C(=O)Nc1ccc(Nc2ccc(F)cc2)c2ccncc12 ZINC000083852408 568919740 /nfs/dbraw/zinc/91/97/40/568919740.db2.gz BGQFTOMUJMTQPA-UHFFFAOYSA-N 0 0 401.445 4.831 50 0 HJAARN CC(C)c1ccc(NC(=O)[C@@H](c2ccccc2)N(CCO)Cc2ccccc2)cc1 ZINC000003614217 568920162 /nfs/dbraw/zinc/92/01/62/568920162.db2.gz WDBPHARKEUFSRI-RUZDIDTESA-N 0 0 402.538 4.984 50 0 HJAARN COc1ccc(CCNC(=O)C[C@@H](c2ccccc2)c2cccc(C)c2O)cc1OC ZINC000003633566 568921613 /nfs/dbraw/zinc/92/16/13/568921613.db2.gz GLRGJNKSMLFADF-QFIPXVFZSA-N 0 0 419.521 4.599 50 0 biogenic HJAARN Cc1ccc(C)c(NC(=O)OCCCNC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c1 ZINC000003639378 568921765 /nfs/dbraw/zinc/92/17/65/568921765.db2.gz ZBRDEFKGNSSCIZ-PBHICJAKSA-N 0 0 413.345 4.949 50 0 HJAARN Cc1ccc(C)c(NC(=O)OCCCNC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)c1 ZINC000003639376 568921854 /nfs/dbraw/zinc/92/18/54/568921854.db2.gz ZBRDEFKGNSSCIZ-RHSMWYFYSA-N 0 0 413.345 4.949 50 0 HJAARN COc1ccc([C@@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)c3ccccc3C(=O)N2C)cc1 ZINC000003657648 568923099 /nfs/dbraw/zinc/92/30/99/568923099.db2.gz PDZXRMVDGRIYDI-FCHUYYIVSA-N 0 0 420.896 4.898 50 0 HJAARN COc1ccc([C@H]2[C@H](C(=O)Nc3ccc(C)c(F)c3)c3ccccc3C(=O)N2C)cc1 ZINC000003657667 568923111 /nfs/dbraw/zinc/92/31/11/568923111.db2.gz IOQLKRTYVDNWSG-PKTZIBPZSA-N 0 0 418.468 4.692 50 0 HJAARN COc1ccc(-c2cc(CNC(=O)c3cc(-c4ccccc4Cl)no3)on2)cc1 ZINC000001389679 568923445 /nfs/dbraw/zinc/92/34/45/568923445.db2.gz OICPBVACXCFACM-UHFFFAOYSA-N 0 0 409.829 4.589 50 0 HJAARN CCOC(=O)c1ccc(NC(=S)N(Cc2ccc(C)cc2)Cc2cccnc2)cc1 ZINC000003662278 568923807 /nfs/dbraw/zinc/92/38/07/568923807.db2.gz QXPBHXFGZIFYND-UHFFFAOYSA-N 0 0 419.550 4.966 50 0 HJAARN Cc1nc(-c2ccc(Cl)cc2)sc1CNS(=O)(=O)c1ccccc1Cl ZINC000001390489 568924353 /nfs/dbraw/zinc/92/43/53/568924353.db2.gz IQKFSVNXIOQCFP-UHFFFAOYSA-N 0 0 413.351 4.904 50 0 HJAARN O=C(Cn1c2ccccc2nc1SC(F)F)N[C@@H]1CCSc2ccc(F)cc21 ZINC000031499255 568927119 /nfs/dbraw/zinc/92/71/19/568927119.db2.gz WWRSDOGTPVQYHE-CYBMUJFWSA-N 0 0 423.485 4.843 50 0 HJAARN Cc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)n1-c1ccc(C(C)(C)C)cc1 ZINC000001402304 568927461 /nfs/dbraw/zinc/92/74/61/568927461.db2.gz HKFPOYCQVQFURZ-UHFFFAOYSA-N 0 0 410.827 4.696 50 0 HJAARN COc1ccc(CNC(=S)Nc2ccc(Br)cc2F)cc1Cl ZINC000001404014 568927844 /nfs/dbraw/zinc/92/78/44/568927844.db2.gz ZHHLLJFHQQKQHO-UHFFFAOYSA-N 0 0 403.704 4.737 50 0 HJAARN CC[C@H](C)NC(=O)c1c(C)nn2c1nc(-c1ccc(Cl)cc1)cc2C(F)(F)F ZINC000004181692 568927977 /nfs/dbraw/zinc/92/79/77/568927977.db2.gz JQTIGWBLFAKSGZ-JTQLQIEISA-N 0 0 410.827 4.905 50 0 HJAARN CC(C)C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1C(=O)c2ccccc2C1=O ZINC000001409877 568929233 /nfs/dbraw/zinc/92/92/33/568929233.db2.gz QBJMBRSMZFCIJJ-QGZVFWFLSA-N 0 0 405.281 4.643 50 0 HJAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 ZINC000012742050 568929839 /nfs/dbraw/zinc/92/98/39/568929839.db2.gz LKMKZPAZZDWVKH-IYBDPMFKSA-N 0 0 420.962 4.568 50 0 HJAARN COc1ccccc1Nc1nc2sc(C(=O)O[C@@H]3CCCCC3=O)cc2s1 ZINC000083982643 568930257 /nfs/dbraw/zinc/93/02/57/568930257.db2.gz KEYZZMYNERVPLA-CQSZACIVSA-N 0 0 402.497 4.779 50 0 HJAARN C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)n1nc(C(F)(F)F)c(Br)c1C1CC1 ZINC000002775059 568932053 /nfs/dbraw/zinc/93/20/53/568932053.db2.gz YANHPWOAIVBODE-AXFHLTTASA-N 0 0 422.289 4.892 50 0 HJAARN COc1ccc(-c2cc(NC(C)=O)n(-c3nc(-c4ccc(F)cc4)cs3)n2)cc1 ZINC000001415851 568933812 /nfs/dbraw/zinc/93/38/12/568933812.db2.gz SPTFHBIJOONFAT-UHFFFAOYSA-N 0 0 408.458 4.769 50 0 HJAARN CCOc1ccc2ccccc2c1C(=O)NCCc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000004032937 568934781 /nfs/dbraw/zinc/93/47/81/568934781.db2.gz CFRRURAOUPZERR-UHFFFAOYSA-N 0 0 414.505 4.669 50 0 HJAARN CCCOc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)cc1 ZINC000004194946 568934914 /nfs/dbraw/zinc/93/49/14/568934914.db2.gz FGJISCXMOJMXRL-CYBMUJFWSA-N 0 0 407.297 4.774 50 0 HJAARN O=C1C[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CN1c1ccccc1F ZINC000004033443 568935020 /nfs/dbraw/zinc/93/50/20/568935020.db2.gz CGHGKJPRZBHKFY-QGZVFWFLSA-N 0 0 403.432 4.883 50 0 HJAARN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NCc1ccccc1 ZINC000001417501 568935079 /nfs/dbraw/zinc/93/50/79/568935079.db2.gz RAJHRHQYKBXQSX-UHFFFAOYSA-N 0 0 412.518 4.614 50 0 HJAARN O=C(Cc1c(F)cccc1Cl)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 ZINC000012748943 568935406 /nfs/dbraw/zinc/93/54/06/568935406.db2.gz BAMNPZNQNMAMLC-UHFFFAOYSA-N 0 0 411.786 4.924 50 0 HJAARN Cc1cc(Br)c2ccccc2c1NC(=O)Cc1cn2ccsc2n1 ZINC000084083314 568936319 /nfs/dbraw/zinc/93/63/19/568936319.db2.gz GEIISFMDMUJESP-UHFFFAOYSA-N 0 0 400.301 4.801 50 0 HJAARN CC(C)[C@H](NC(=O)N[C@H](C)c1ccc(F)c(F)c1)c1ccc2c(c1)OCCCO2 ZINC000012749606 568937507 /nfs/dbraw/zinc/93/75/07/568937507.db2.gz CCZIMTVVAKDYSA-SZNDQCEHSA-N 0 0 404.457 4.884 50 0 HJAARN CC(C)[C@@H](NC(=O)N[C@@H](C)c1ccc(F)c(F)c1)c1ccc2c(c1)OCCCO2 ZINC000012749590 568937574 /nfs/dbraw/zinc/93/75/74/568937574.db2.gz CCZIMTVVAKDYSA-LHSJRXKWSA-N 0 0 404.457 4.884 50 0 HJAARN COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C ZINC000004081642 568939048 /nfs/dbraw/zinc/93/90/48/568939048.db2.gz ZHUOOEGSSFNTNP-OPLVKRNHSA-N 0 0 406.607 4.566 50 0 biogenic HJAARN CCOc1ccc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(C)cc32)c2ccccc12 ZINC000001427451 568939520 /nfs/dbraw/zinc/93/95/20/568939520.db2.gz KCXXCTZZZUIRKE-UHFFFAOYSA-N 0 0 422.550 4.858 50 0 HJAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N[C@H](C)c1ccccc1 ZINC000012754299 568942281 /nfs/dbraw/zinc/94/22/81/568942281.db2.gz XSOFXIKKICSYDB-CYBMUJFWSA-N 0 0 415.415 4.568 50 0 HJAARN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000012754467 568942560 /nfs/dbraw/zinc/94/25/60/568942560.db2.gz PZDWPWUXEBWHBB-UHFFFAOYSA-N 0 0 405.395 4.919 50 0 HJAARN COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)c1 ZINC000012757424 568942999 /nfs/dbraw/zinc/94/29/99/568942999.db2.gz FFARSQZQGLUMIM-MRXNPFEDSA-N 0 0 405.560 4.658 50 0 HJAARN CCOc1ccc(C(=O)N2CCN=C2SCc2ccc(Cl)cc2)cc1OCC ZINC000004120068 568944706 /nfs/dbraw/zinc/94/47/06/568944706.db2.gz AZMIKZCGQSAXJU-UHFFFAOYSA-N 0 0 418.946 4.883 50 0 HJAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NCC(=O)Nc1cccc(C)c1C ZINC000015533712 568946197 /nfs/dbraw/zinc/94/61/97/568946197.db2.gz LRKMPBBMQMSARL-UHFFFAOYSA-N 0 0 413.930 4.757 50 0 HJAARN Cc1c(-c2ccccc2)sc2ncn(CC(=O)N3CCC[C@H]4CCCC[C@@H]43)c(=O)c12 ZINC000012765259 568948155 /nfs/dbraw/zinc/94/81/55/568948155.db2.gz WSWIZUZXSPDHLN-MJGOQNOKSA-N 0 0 421.566 4.615 50 0 HJAARN Cc1ccc(C)c(C(=O)COC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c1 ZINC000004178456 568948989 /nfs/dbraw/zinc/94/89/89/568948989.db2.gz KBPIQNKOSBCBTJ-UHFFFAOYSA-N 0 0 401.462 4.524 50 0 HJAARN O=c1c2ccccc2nc(SC2c3ccccc3-c3ccccc32)n1CCCO ZINC000005040374 568949467 /nfs/dbraw/zinc/94/94/67/568949467.db2.gz DMJCAKYYOJLTBU-UHFFFAOYSA-N 0 0 400.503 4.641 50 0 HJAARN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1coc2ccccc2c1=O ZINC000004194686 568951075 /nfs/dbraw/zinc/95/10/75/568951075.db2.gz BEKMPKHMZSVEGI-UHFFFAOYSA-N 0 0 403.821 4.930 50 0 HJAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)OCc1ccccc1 ZINC000004211942 568952040 /nfs/dbraw/zinc/95/20/40/568952040.db2.gz ATBKRBXGUNRZQU-UHFFFAOYSA-N 0 0 419.481 4.909 50 0 HJAARN Cc1ccc(NC(=O)[C@@H](C)N(C)Cc2nc3ccccc3s2)c(Br)c1 ZINC000012772571 568952792 /nfs/dbraw/zinc/95/27/92/568952792.db2.gz KXMJMLLMGXKELE-CYBMUJFWSA-N 0 0 418.360 4.826 50 0 HJAARN CCc1ccc([C@H](C)NC(=O)c2oc3ccccc3c2CSc2nc[nH]n2)cc1 ZINC000012776349 568954816 /nfs/dbraw/zinc/95/48/16/568954816.db2.gz DONCLAQJEVIQSF-AWEZNQCLSA-N 0 0 406.511 4.897 50 0 HJAARN CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc2ccccc21 ZINC000004262980 568955757 /nfs/dbraw/zinc/95/57/57/568955757.db2.gz AGDHPFHBHOCBOS-JOCHJYFZSA-N 0 0 401.466 4.505 50 0 HJAARN CC1(C)Cc2cccc(OCC(=O)N3CCS[C@@H](c4ccccc4F)CC3)c2O1 ZINC000219073635 568955869 /nfs/dbraw/zinc/95/58/69/568955869.db2.gz DUTNIJSHUAVBQF-HXUWFJFHSA-N 0 0 415.530 4.625 50 0 HJAARN COc1ccc(OCC(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2)cc1 ZINC000004267235 568956217 /nfs/dbraw/zinc/95/62/17/568956217.db2.gz BAEGHWNFEOIIEG-UHFFFAOYSA-N 0 0 416.433 4.711 50 0 HJAARN COc1ccc2sc(N(Cc3cccnc3)C(=O)CCc3ccccc3)nc2c1 ZINC000004273276 568957741 /nfs/dbraw/zinc/95/77/41/568957741.db2.gz WJEPFJOPONECAC-UHFFFAOYSA-N 0 0 403.507 4.866 50 0 HJAARN COc1ccc(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)c(OC)c1 ZINC000015654666 568958442 /nfs/dbraw/zinc/95/84/42/568958442.db2.gz DDBUDSGEEORRIK-UHFFFAOYSA-N 0 0 411.458 4.804 50 0 HJAARN Cc1c(=O)c2cccc(C(=O)Nc3nnc(C(C)C)s3)c2oc1-c1ccccc1 ZINC000012784038 568958854 /nfs/dbraw/zinc/95/88/54/568958854.db2.gz WJEYHRIXWLRJNM-UHFFFAOYSA-N 0 0 405.479 4.996 50 0 HJAARN O=C(CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1)c1ccccc1 ZINC000004284130 568959111 /nfs/dbraw/zinc/95/91/11/568959111.db2.gz NSWOEIRLRKBQTK-UHFFFAOYSA-N 0 0 406.898 4.958 50 0 HJAARN O=c1c2c(-c3ccccc3)csc2ncn1Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000012784123 568959307 /nfs/dbraw/zinc/95/93/07/568959307.db2.gz VSYFKXCRZKPDJI-UHFFFAOYSA-N 0 0 420.881 4.877 50 0 HJAARN COc1cccc([C@@H]2Oc3ccccc3C3=Nc4ncnn4[C@H](c4cccs4)C32)c1 ZINC000004291778 568959733 /nfs/dbraw/zinc/95/97/33/568959733.db2.gz GEVQATVEGQLRGU-YADHBBJMSA-N 0 0 414.490 4.561 50 0 HJAARN Cc1csc(CNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)n1 ZINC000012785543 568960023 /nfs/dbraw/zinc/96/00/23/568960023.db2.gz WILLHSSTQBEMAN-UHFFFAOYSA-N 0 0 402.523 4.851 50 0 HJAARN Cc1c(C(=O)NC[C@@H]2CCCO2)oc2ccc3c(c12)C(=O)CC1(CCC(C)CC1)O3 ZINC000015671842 568962378 /nfs/dbraw/zinc/96/23/78/568962378.db2.gz HEMSMWSUBWMEBJ-HRUUGQBSSA-N 0 0 411.498 4.564 50 0 biogenic HJAARN COc1ccc(-c2nc(NC(=O)[C@@H](NC(=O)c3ccccc3)C(C)C)sc2C)cc1 ZINC000007980738 568963547 /nfs/dbraw/zinc/96/35/47/568963547.db2.gz YPSWYFJEOGVFNL-IBGZPJMESA-N 0 0 423.538 4.520 50 0 HJAARN Cc1cc(C)nc(SCc2ccccc2C(=O)NCCc2c[nH]c3ccccc23)n1 ZINC000007981686 568963687 /nfs/dbraw/zinc/96/36/87/568963687.db2.gz OGIJFRKTNDJBFS-UHFFFAOYSA-N 0 0 416.550 4.840 50 0 HJAARN O=C(CN1CC=C(c2ccccc2)CC1)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000007985147 568964304 /nfs/dbraw/zinc/96/43/04/568964304.db2.gz RFRMXDRUIKVNHR-UHFFFAOYSA-N 0 0 411.505 4.667 50 0 HJAARN C[C@]1(C(=O)NC2CCCCCCC2)Cn2c3ccoc3cc2C(=O)N1C1CCCC1 ZINC000015675591 568964451 /nfs/dbraw/zinc/96/44/51/568964451.db2.gz STNYAFKYLKYWCJ-XMMPIXPASA-N 0 0 411.546 4.621 50 0 HJAARN CCCCn1nc(C)c(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1Cl ZINC000007989685 568966512 /nfs/dbraw/zinc/96/65/12/568966512.db2.gz ODJRYSGBCLNLAB-UHFFFAOYSA-N 0 0 418.906 4.750 50 0 HJAARN CC(=O)N[C@H](CC(=O)Nc1nnc(-c2ccc(C(C)C)cc2)s1)c1ccccc1 ZINC000007990911 568967150 /nfs/dbraw/zinc/96/71/50/568967150.db2.gz YIGJOCFYXWTCLO-LJQANCHMSA-N 0 0 408.527 4.535 50 0 HJAARN C[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(Br)c2)o1 ZINC000007997227 568967684 /nfs/dbraw/zinc/96/76/84/568967684.db2.gz WZZICCBBLWDRHA-SNVBAGLBSA-N 0 0 414.325 4.710 50 0 HJAARN CCCOc1c(Br)cc(C(=O)Nc2cc(OC)ccc2OC)cc1OC ZINC000012790519 568967711 /nfs/dbraw/zinc/96/77/11/568967711.db2.gz UHGMIBKVDYCMGQ-UHFFFAOYSA-N 0 0 424.291 4.516 50 0 HJAARN Cc1cccc(-n2c3ccccc3nc2SCc2cc(=O)n3cc(C)ccc3n2)c1 ZINC000008012377 568968254 /nfs/dbraw/zinc/96/82/54/568968254.db2.gz UFOGJXFDBVRVQA-UHFFFAOYSA-N 0 0 412.518 4.943 50 0 HJAARN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)Nc1nc(-c2ccccn2)cs1 ZINC000008025267 568969079 /nfs/dbraw/zinc/96/90/79/568969079.db2.gz IWWZCLFSYGAVIN-UHFFFAOYSA-N 0 0 404.499 4.660 50 0 HJAARN CN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1ccccc1-c1ccccc1 ZINC000008037215 568969992 /nfs/dbraw/zinc/96/99/92/568969992.db2.gz SFSJLLTUXZEWIT-UHFFFAOYSA-N 0 0 407.901 4.516 50 0 HJAARN O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCC(c2nc3ccccc3s2)CC1 ZINC000008086431 568973250 /nfs/dbraw/zinc/97/32/50/568973250.db2.gz GPLBEOXQUWOTOS-FQEVSTJZSA-N 0 0 422.550 4.874 50 0 HJAARN Cc1ccccc1N1CCN(C(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000008094927 568973660 /nfs/dbraw/zinc/97/36/60/568973660.db2.gz HXMJOMIWLVVXRT-UHFFFAOYSA-N 0 0 412.533 4.974 50 0 HJAARN Cc1cc(-c2csc(CC(=O)NCc3ccccc3)n2)c(C)n1CC(F)(F)F ZINC000008103312 568973893 /nfs/dbraw/zinc/97/38/93/568973893.db2.gz SFVQHLROKMDAFH-UHFFFAOYSA-N 0 0 407.461 4.650 50 0 HJAARN CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C(=O)NCC3CCCCC3)o2)cc1 ZINC000008132095 568975622 /nfs/dbraw/zinc/97/56/22/568975622.db2.gz WVTRMJUEQXQUHM-INIZCTEOSA-N 0 0 416.591 4.760 50 0 HJAARN Cc1nc2scc(-c3ccccc3)c2c(N2CCN(c3ccc(O)cc3)CC2)n1 ZINC000008147017 568977274 /nfs/dbraw/zinc/97/72/74/568977274.db2.gz PLWYWSZDHHAGSP-UHFFFAOYSA-N 0 0 402.523 4.699 50 0 HJAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc(Cl)cc2c1OCOC2 ZINC000008152286 568977453 /nfs/dbraw/zinc/97/74/53/568977453.db2.gz KIDBOTJZCSESFB-UHFFFAOYSA-N 0 0 415.704 4.584 50 0 HJAARN COc1ccc([C@H]2CCCN2Cn2nc(C)n(Cc3ccccc3)c2=S)c(OC)c1 ZINC000008151260 568977503 /nfs/dbraw/zinc/97/75/03/568977503.db2.gz BNVVEVWIQWOYLW-OAQYLSRUSA-N 0 0 424.570 4.583 50 0 HJAARN O=C(Nc1ccc(Br)cc1F)c1cnn2c1ncc1c2CCCCCC1 ZINC000015723541 568977851 /nfs/dbraw/zinc/97/78/51/568977851.db2.gz MOZFKWILARHMSO-UHFFFAOYSA-N 0 0 417.282 4.542 50 0 HJAARN O=C(CSc1nnc(Cc2cccs2)n1-c1ccccc1)c1ccc(O)cc1 ZINC000008156996 568978367 /nfs/dbraw/zinc/97/83/67/568978367.db2.gz GEWSTCJNXWILIX-UHFFFAOYSA-N 0 0 407.520 4.600 50 0 HJAARN O=C(CNc1ccccc1C(=O)Nc1ccccc1)Nc1ccc(N2CCCC2)cc1 ZINC000008156932 568978430 /nfs/dbraw/zinc/97/84/30/568978430.db2.gz KGKAVMQMPSLHRQ-UHFFFAOYSA-N 0 0 414.509 4.590 50 0 HJAARN Cc1oc2ncnc(N3CCCCC3)c2c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000015727482 568978498 /nfs/dbraw/zinc/97/84/98/568978498.db2.gz DVCQLIAHPAENRZ-UHFFFAOYSA-N 0 0 404.392 4.793 50 0 HJAARN Cc1sc(NC(=O)CCCn2c(=O)oc3ccccc32)nc1-c1ccc(F)cc1 ZINC000012808102 568980561 /nfs/dbraw/zinc/98/05/61/568980561.db2.gz BFAKTZWUKSGEMY-UHFFFAOYSA-N 0 0 411.458 4.584 50 0 HJAARN O=C(Nc1ccc(Oc2ccc(NC(=O)C3CC3)c(NC(=O)C3CC3)c2)cc1)C1CC1 ZINC000008189777 568981035 /nfs/dbraw/zinc/98/10/35/568981035.db2.gz NMIHSEJBIVJMGC-UHFFFAOYSA-N 0 0 419.481 4.524 50 0 HJAARN C[C@@H](NC(=O)c1cc(-c2cccnc2)nc2ccccc21)c1ccc2c(c1)OCCO2 ZINC000008190885 568981245 /nfs/dbraw/zinc/98/12/45/568981245.db2.gz PLCAKRBOQARPTE-MRXNPFEDSA-N 0 0 411.461 4.559 50 0 HJAARN O=C(CCn1c(Cc2ccccc2)nc2cc(Cl)c(Cl)cc21)N1CCCC1 ZINC000085405830 568985709 /nfs/dbraw/zinc/98/57/09/568985709.db2.gz VZBYOLJCEBWZEA-UHFFFAOYSA-N 0 0 402.325 4.946 50 0 HJAARN COc1cc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc2c1OCO2 ZINC000085412191 568986080 /nfs/dbraw/zinc/98/60/80/568986080.db2.gz IDVRIMZEXLIAIE-LJQANCHMSA-N 0 0 415.515 4.695 50 0 HJAARN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(OC)cc2)cc1 ZINC000001453761 568986914 /nfs/dbraw/zinc/98/69/14/568986914.db2.gz QSAUBTCGSFZJBA-DHLKQENFSA-N 0 0 416.477 4.955 50 0 HJAARN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)Cc1cn2ccsc2n1 ZINC000008279533 568987374 /nfs/dbraw/zinc/98/73/74/568987374.db2.gz YIQIVRCDQMMKDL-UHFFFAOYSA-N 0 0 405.523 4.566 50 0 HJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)C1 ZINC000006051508 568987954 /nfs/dbraw/zinc/98/79/54/568987954.db2.gz BDNMGFRLQRPHTJ-QGZVFWFLSA-N 0 0 422.912 4.971 50 0 HJAARN O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1cc(Cl)ccc1Cl ZINC000008310317 568988566 /nfs/dbraw/zinc/98/85/66/568988566.db2.gz MGHZJGCVTKDATP-GOSISDBHSA-N 0 0 421.324 4.930 50 0 HJAARN CCN(CC)C(=O)COc1ccc2c(=O)c(-c3ccccc3Cl)c(C)oc2c1C ZINC000006053804 568988610 /nfs/dbraw/zinc/98/86/10/568988610.db2.gz LERMPAQVGGGYHR-UHFFFAOYSA-N 0 0 413.901 4.977 50 0 HJAARN O=C(N[C@@H]1CCSc2ccccc21)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000008312029 568988970 /nfs/dbraw/zinc/98/89/70/568988970.db2.gz KYYRAXBQTLPSKD-VQIMIIECSA-N 0 0 414.958 4.546 50 0 HJAARN CCOC(=O)c1c2cc(O[C@@H](C)C(=O)OCC)ccc2oc1-c1ccc(OC)cc1 ZINC000001463684 568989006 /nfs/dbraw/zinc/98/90/06/568989006.db2.gz UOJNKXNZAZAYGX-AWEZNQCLSA-N 0 0 412.438 4.616 50 0 biogenic HJAARN COc1ccc(Nc2nnc(SCC(=O)Nc3c(C)cccc3C)s2)cc1 ZINC000006058429 568989943 /nfs/dbraw/zinc/98/99/43/568989943.db2.gz JEJSAMVRJOOXAB-UHFFFAOYSA-N 0 0 400.529 4.638 50 0 HJAARN C[C@@H](Sc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc32)o1)C(N)=O ZINC000008316185 568990332 /nfs/dbraw/zinc/99/03/32/568990332.db2.gz RZCXLILWVYMZJB-LLVKDONJSA-N 0 0 410.886 4.571 50 0 HJAARN O=c1[nH]c2c(sc3nc4c(c(C(F)(F)F)c32)C[C@@H](c2ccccc2)CC4)c(=O)[nH]1 ZINC000012376184 568990348 /nfs/dbraw/zinc/99/03/48/568990348.db2.gz YZMWFMWMPRERPN-JTQLQIEISA-N 0 0 417.412 4.530 50 0 HJAARN C[C@@H]1CCc2c(sc3ncnc(SCC(=O)Nc4c(F)cccc4F)c23)C1 ZINC000001465342 568990414 /nfs/dbraw/zinc/99/04/14/568990414.db2.gz CMAUAMKYABGOCR-SNVBAGLBSA-N 0 0 405.495 4.825 50 0 HJAARN C[C@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)o1)c1ccc2c(c1)CCCC2 ZINC000008327321 568992116 /nfs/dbraw/zinc/99/21/16/568992116.db2.gz TUEMNZQYKJBYDP-AWEZNQCLSA-N 0 0 411.502 4.724 50 0 HJAARN Cc1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1NC(=O)c1ccco1 ZINC000008327859 568992313 /nfs/dbraw/zinc/99/23/13/568992313.db2.gz FBSHDLPBFAJZQR-UHFFFAOYSA-N 0 0 414.461 4.802 50 0 HJAARN CCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCC2)cc1 ZINC000006073297 568992863 /nfs/dbraw/zinc/99/28/63/568992863.db2.gz LGECLPZRJKGRQL-IBGZPJMESA-N 0 0 401.532 4.895 50 0 HJAARN O=C(Cc1c(Cl)cccc1Cl)OCCOc1ccc(Br)cc1 ZINC000006078635 568993266 /nfs/dbraw/zinc/99/32/66/568993266.db2.gz YHHUSNWVONBVNH-UHFFFAOYSA-N 0 0 404.087 4.921 50 0 HJAARN Cc1c2cccc(F)c2oc1C(=O)Nc1cc2c(cc1Br)OCCO2 ZINC000008342797 568993794 /nfs/dbraw/zinc/99/37/94/568993794.db2.gz BVBYZNWCRVHONP-UHFFFAOYSA-N 0 0 406.207 4.666 50 0 HJAARN Cc1ccc(C)c(NC(=O)[C@H](Nc2cccc(C(=O)NC3CC3)c2)c2ccccc2)c1 ZINC000008344593 568994196 /nfs/dbraw/zinc/99/41/96/568994196.db2.gz OWWCJGFPJOPSET-XMMPIXPASA-N 0 0 413.521 4.988 50 0 HJAARN O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)c1cccc(CN2CCCC2=O)c1 ZINC000008358801 568995248 /nfs/dbraw/zinc/99/52/48/568995248.db2.gz UNMIZGTUDRZUDS-UHFFFAOYSA-N 0 0 408.885 4.652 50 0 HJAARN NC(=O)N[C@@H](CC(=O)Nc1ccc2c(c1)CCC2)c1cccc(Oc2ccccc2)c1 ZINC000008378278 568995966 /nfs/dbraw/zinc/99/59/66/568995966.db2.gz FQTHJSUXAPFPMM-QHCPKHFHSA-N 0 0 415.493 4.706 50 0 HJAARN COc1cc(CCC(=O)Oc2ccc3oc4c(c3c2)CCCC4)cc(OC)c1OC ZINC000006083582 568996948 /nfs/dbraw/zinc/99/69/48/568996948.db2.gz OVLYENJJPZPSOF-UHFFFAOYSA-N 0 0 410.466 4.876 50 0 HJAARN CN(Cc1ccc(Cl)cc1)C(=O)COC(=O)c1ccc(-c2ccc(O)cc2)cc1 ZINC000006086235 568998293 /nfs/dbraw/zinc/99/82/93/568998293.db2.gz SQJRYLDNBJGSQK-UHFFFAOYSA-N 0 0 409.869 4.528 50 0 HJAARN C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(Cc2nc3ccccc3s2)C1=O ZINC000008394022 568998632 /nfs/dbraw/zinc/99/86/32/568998632.db2.gz RKNKKKFLLUSXLQ-SFHVURJKSA-N 0 0 406.294 4.570 50 0 HJAARN CC(C)[C@H](NC(=O)c1ccccc1Br)c1ccc2c(c1)OCCCO2 ZINC000008394485 568998867 /nfs/dbraw/zinc/99/88/67/568998867.db2.gz CWBOSAWRBVYFIQ-IBGZPJMESA-N 0 0 404.304 4.738 50 0 HJAARN COc1ccccc1NC(=O)c1cc(SCC(=O)c2ccc[nH]2)nc2ccccc21 ZINC000008394618 568999068 /nfs/dbraw/zinc/99/90/68/568999068.db2.gz HJKZRPFDCVKDCZ-UHFFFAOYSA-N 0 0 417.490 4.799 50 0 HJAARN Cc1cc(NC(=O)c2ccc(CN3C(=O)CC4(CCCC4)C3=O)cc2)ccc1Cl ZINC000008395408 568999422 /nfs/dbraw/zinc/99/94/22/568999422.db2.gz MZKJIRDKWDMWQQ-UHFFFAOYSA-N 0 0 410.901 4.720 50 0 HJAARN Cc1ccc(-c2noc(CCC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)n2)cc1 ZINC000008395782 568999567 /nfs/dbraw/zinc/99/95/67/568999567.db2.gz IFGLILHPOAWDSB-UHFFFAOYSA-N 0 0 405.454 4.658 50 0 HJAARN O=C1OCC2=C1[C@@H](c1ccc(OCc3ccccc3)cc1)CC(=O)N2c1ccccc1 ZINC000035143108 569000110 /nfs/dbraw/zinc/00/01/10/569000110.db2.gz PCTGQAQMPASFPC-JOCHJYFZSA-N 0 0 411.457 4.597 50 0 HJAARN COCCn1c2ccccc2nc1S[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000008424711 569002040 /nfs/dbraw/zinc/00/20/40/569002040.db2.gz ZOICEENJMZNCTM-LBPRGKRZSA-N 0 0 407.898 4.595 50 0 HJAARN CCCOc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2cccc(CC)c2)cc1 ZINC000035171061 569002116 /nfs/dbraw/zinc/00/21/16/569002116.db2.gz SYOXQXPTVQJOGM-OAQYLSRUSA-N 0 0 417.509 4.841 50 0 HJAARN Cc1ccc2ccc3cc(C(=O)N4CCN(c5cc(Cl)ccc5C)CC4)[nH]c3c2n1 ZINC000085577735 569002388 /nfs/dbraw/zinc/00/23/88/569002388.db2.gz ACRMFPPWTKADAB-UHFFFAOYSA-N 0 0 418.928 4.949 50 0 HJAARN O=C(NC[C@@H]1CCCO1)c1cc2c3ccccc3[nH]c2c(-c2cccc(Cl)c2)n1 ZINC000006112695 569004956 /nfs/dbraw/zinc/00/49/56/569004956.db2.gz DMYSSGHGJCJXRJ-INIZCTEOSA-N 0 0 405.885 4.945 50 0 biogenic HJAARN COc1ccc(C(=O)N2c3ccccc3N3C(c4c(C)cc(C)cc4C)=NON23)cc1 ZINC000001510193 569007608 /nfs/dbraw/zinc/00/76/08/569007608.db2.gz ACSHUXAGFYTBCQ-UHFFFAOYSA-N 0 0 414.465 4.526 50 0 HJAARN O=S(=O)(c1nc(-c2ccccc2)oc1N1CCCCC1)c1ccc(Cl)cc1 ZINC000001510938 569007718 /nfs/dbraw/zinc/00/77/18/569007718.db2.gz FTYPHHFUTDFWBC-UHFFFAOYSA-N 0 0 402.903 4.818 50 0 HJAARN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)Nc1ccc(F)cc1 ZINC000000863708 569007740 /nfs/dbraw/zinc/00/77/40/569007740.db2.gz JKMQGPBPQLKMCD-UHFFFAOYSA-N 0 0 418.497 4.728 50 0 HJAARN COc1ccc2ccccc2c1/C=C1/N=C(c2ccccc2Br)OC1=O ZINC000001511080 569007780 /nfs/dbraw/zinc/00/77/80/569007780.db2.gz PCJUSSLNLHDPTA-LDADJPATSA-N 0 0 408.251 4.955 50 0 HJAARN Cc1ccc(-c2csc3ncn(CCC(=O)N(C)Cc4cccs4)c(=O)c23)cc1 ZINC000012849640 569010336 /nfs/dbraw/zinc/01/03/36/569010336.db2.gz JSYOIBVBTLZBBA-UHFFFAOYSA-N 0 0 423.563 4.544 50 0 HJAARN CSc1nc(-c2ccco2)nc(C)c1C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000012854326 569010873 /nfs/dbraw/zinc/01/08/73/569010873.db2.gz XFQGEPGFMDYWJS-UHFFFAOYSA-N 0 0 421.444 4.758 50 0 HJAARN C[C@H](NC(=O)Cn1cnc2cc(-c3ccccc3)sc2c1=O)c1ccccc1Cl ZINC000012856312 569011053 /nfs/dbraw/zinc/01/10/53/569011053.db2.gz ITNXFVDOMXGIIC-AWEZNQCLSA-N 0 0 423.925 4.656 50 0 HJAARN COCCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccccc1 ZINC000012858777 569011488 /nfs/dbraw/zinc/01/14/88/569011488.db2.gz SPWXWFZQQZWLQN-UHFFFAOYSA-N 0 0 424.570 4.620 50 0 HJAARN CC(C)OCCCn1c(=O)c2ccccc2nc1S[C@@H](C)c1nc(C(C)C)no1 ZINC000012859758 569011516 /nfs/dbraw/zinc/01/15/16/569011516.db2.gz MBFHUZADIVGBGS-HNNXBMFYSA-N 0 0 416.547 4.571 50 0 HJAARN COc1ccccc1NC(=O)Oc1ccc(Br)cc1Br ZINC000000641154 569012351 /nfs/dbraw/zinc/01/23/51/569012351.db2.gz BMWKQUYBGMHIGY-UHFFFAOYSA-N 0 0 401.054 4.831 50 0 HJAARN Cc1ccc2nc3c(cc2c1)CCN3S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000015841900 569013802 /nfs/dbraw/zinc/01/38/02/569013802.db2.gz MUGJZMKYEKLAGR-UHFFFAOYSA-N 0 0 408.523 4.616 50 0 HJAARN CCOC(=O)c1c(C)[nH]c(CN(Cc2ccccc2)C(=O)c2cccc(F)c2)c1C ZINC000015862476 569015891 /nfs/dbraw/zinc/01/58/91/569015891.db2.gz PSCXDLLODHRDGE-UHFFFAOYSA-N 0 0 408.473 4.790 50 0 HJAARN Cn1c(CCc2cccc(NC(=O)c3cc4ccccc4oc3=O)c2)nc2ccccc21 ZINC000015863706 569016260 /nfs/dbraw/zinc/01/62/60/569016260.db2.gz SUFPDXYNQLEBTJ-UHFFFAOYSA-N 0 0 423.472 4.717 50 0 HJAARN CCC(=O)Nc1ccc(Cc2nc3cc(C(=O)N4CCCCCC4)ccc3[nH]2)cc1 ZINC000015863786 569016289 /nfs/dbraw/zinc/01/62/89/569016289.db2.gz JUBNMHKZQPOZST-UHFFFAOYSA-N 0 0 404.514 4.518 50 0 HJAARN CCOC(=O)c1[nH]c(C)c(CN(Cc2ccco2)C(=O)c2c(F)cccc2F)c1C ZINC000015865616 569016684 /nfs/dbraw/zinc/01/66/84/569016684.db2.gz WYJBMOANSPQYQO-UHFFFAOYSA-N 0 0 416.424 4.522 50 0 HJAARN Cc1cc(-c2csc(NC(=O)c3cccn(Cc4cccc(C)c4)c3=O)n2)c(C)o1 ZINC000063802044 569016823 /nfs/dbraw/zinc/01/68/23/569016823.db2.gz BTORLTFZQWQUOT-UHFFFAOYSA-N 0 0 419.506 4.791 50 0 HJAARN COc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1O ZINC000006170675 569016874 /nfs/dbraw/zinc/01/68/74/569016874.db2.gz ZVCZXBAUZHFTHM-LZYBPNLTSA-N 0 0 410.278 4.944 50 0 HJAARN O=C(Nc1nc2cc(NS(=O)(=O)c3ccccc3)ccc2s1)C1CCCCC1 ZINC000015870219 569017177 /nfs/dbraw/zinc/01/71/77/569017177.db2.gz MEEAUMIYILAJKS-UHFFFAOYSA-N 0 0 415.540 4.616 50 0 HJAARN Cc1nc2c(s1)CCc1oc(C(=O)NCc3ccc(Br)cc3)c(C)c1-2 ZINC000015869929 569017188 /nfs/dbraw/zinc/01/71/88/569017188.db2.gz VJAIWXVEFUGJAK-UHFFFAOYSA-N 0 0 417.328 4.811 50 0 HJAARN Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc2sc(NC(=O)C(C)C)nc2c1 ZINC000015870352 569017225 /nfs/dbraw/zinc/01/72/25/569017225.db2.gz QNVISBZFCKPWQX-UHFFFAOYSA-N 0 0 423.947 4.653 50 0 HJAARN CCn1c(CCc2ccc(NS(=O)(=O)c3ccccc3C)cc2)nc2ccccc21 ZINC000015870582 569017373 /nfs/dbraw/zinc/01/73/73/569017373.db2.gz ZDACFWICCUCCDF-UHFFFAOYSA-N 0 0 419.550 4.951 50 0 HJAARN CCCCCC(=O)Nc1ccc(C(=O)CSc2n[nH]c(-c3ccccc3)n2)cc1 ZINC000006178596 569017579 /nfs/dbraw/zinc/01/75/79/569017579.db2.gz SHEMGYLCEUOHRO-UHFFFAOYSA-N 0 0 408.527 4.966 50 0 HJAARN CCc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccccc3OC)n2)cc1 ZINC000015880751 569018060 /nfs/dbraw/zinc/01/80/60/569018060.db2.gz WWCRPBNSVQFGPW-UHFFFAOYSA-N 0 0 410.499 4.539 50 0 HJAARN C[C@H](NC(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)c1ccccc1 ZINC000015880623 569018273 /nfs/dbraw/zinc/01/82/73/569018273.db2.gz GUMMBRNIMOHMEC-ZDUSSCGKSA-N 0 0 414.918 4.860 50 0 HJAARN COc1ccc(Cl)cc1C(=O)Nc1ccc(-n2c(C)nc3ccccc3c2=O)cc1 ZINC000015882497 569019142 /nfs/dbraw/zinc/01/91/42/569019142.db2.gz BEGHSAFNFXFVIQ-UHFFFAOYSA-N 0 0 419.868 4.608 50 0 HJAARN O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccn(Cc2ccc(Cl)cc2)c1=O ZINC000015882795 569019165 /nfs/dbraw/zinc/01/91/65/569019165.db2.gz JNAUEIKFOUQQDT-UHFFFAOYSA-N 0 0 424.781 4.960 50 0 HJAARN Cc1cccc(NC(=O)c2ccc(=O)n(Cc3ccc(C(F)(F)F)cc3)c2)c1C ZINC000015883275 569019273 /nfs/dbraw/zinc/01/92/73/569019273.db2.gz CHERYPQYHXLVSL-UHFFFAOYSA-N 0 0 400.400 4.785 50 0 HJAARN CCCc1noc([C@H](C)Sc2nc3ccccc3c(=O)n2-c2cccc(C)c2)n1 ZINC000012884557 569019427 /nfs/dbraw/zinc/01/94/27/569019427.db2.gz RZZDVVDRGOZMIW-HNNXBMFYSA-N 0 0 406.511 4.883 50 0 HJAARN Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccco4)C3)cc2)c1 ZINC000012890946 569020006 /nfs/dbraw/zinc/02/00/06/569020006.db2.gz UMMAGYVJYGWXOC-SFHVURJKSA-N 0 0 404.466 4.871 50 0 HJAARN Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3c(C)cccc3C(C)C)C2)s1 ZINC000012892041 569020048 /nfs/dbraw/zinc/02/00/48/569020048.db2.gz ZMAXAUVMUBQOSZ-KRWDZBQOSA-N 0 0 420.600 4.528 50 0 HJAARN CCNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)CCC2CCCC2)s1 ZINC000012892847 569020232 /nfs/dbraw/zinc/02/02/32/569020232.db2.gz DDZCUBSYKLNTCF-UHFFFAOYSA-N 0 0 417.600 4.947 50 0 HJAARN O=C(Nc1nc(-c2ccccc2Cl)cs1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000012899337 569020562 /nfs/dbraw/zinc/02/05/62/569020562.db2.gz NLDBWQSBEUBUDJ-CYBMUJFWSA-N 0 0 401.850 4.667 50 0 HJAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000012902281 569020917 /nfs/dbraw/zinc/02/09/17/569020917.db2.gz MELMQZJYZFEAKO-CYBMUJFWSA-N 0 0 424.488 4.993 50 0 HJAARN COC(=O)c1cc(NC(=O)c2csc(COc3ccc(F)cc3)n2)ccc1Cl ZINC000012907761 569021249 /nfs/dbraw/zinc/02/12/49/569021249.db2.gz DOEWBHHXYCNEBA-UHFFFAOYSA-N 0 0 420.849 4.554 50 0 HJAARN Cc1ccc(OCC(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)c(C)c1 ZINC000012909646 569021435 /nfs/dbraw/zinc/02/14/35/569021435.db2.gz MNEOGQSKBZCKSR-UHFFFAOYSA-N 0 0 406.404 4.688 50 0 HJAARN CCCc1noc([C@@H](C)Sc2nc3ccc(Cl)cc3c(=O)n2CC(C)C)n1 ZINC000012910570 569021545 /nfs/dbraw/zinc/02/15/45/569021545.db2.gz PGIWYAIMXAKHDM-GFCCVEGCSA-N 0 0 406.939 4.895 50 0 HJAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(C(=O)c2ccccc2)cc1 ZINC000012912738 569021899 /nfs/dbraw/zinc/02/18/99/569021899.db2.gz OZBIEAPNZWPTRM-UHFFFAOYSA-N 0 0 414.505 4.717 50 0 HJAARN COc1ccccc1CN(C)C(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1 ZINC000012914173 569022162 /nfs/dbraw/zinc/02/21/62/569022162.db2.gz KTTLZOARBBYBRR-UHFFFAOYSA-N 0 0 413.477 4.993 50 0 HJAARN O=C(c1cc(Br)c(Br)s1)N1CCCc2ccccc21 ZINC000012916512 569022334 /nfs/dbraw/zinc/02/23/34/569022334.db2.gz GEXDOFHUKYXNKZ-UHFFFAOYSA-N 0 0 401.123 4.866 50 0 HJAARN CC[C@@H](NC(=O)c1cc(C)nc2c1cnn2Cc1cccs1)c1ccc(OC)cc1 ZINC000012916037 569022569 /nfs/dbraw/zinc/02/25/69/569022569.db2.gz CKWLZJSBRHJHHV-OAQYLSRUSA-N 0 0 420.538 4.739 50 0 HJAARN O=C(CSc1ccc(F)c(F)c1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000012918801 569022782 /nfs/dbraw/zinc/02/27/82/569022782.db2.gz VBGMRGXQWSAFKY-UHFFFAOYSA-N 0 0 414.481 4.681 50 0 HJAARN COc1cc(C(=O)NCCSc2ccc(Br)cc2)ccc1OC(C)C ZINC000012920253 569022942 /nfs/dbraw/zinc/02/29/42/569022942.db2.gz SXQSCYOGBWFBKK-UHFFFAOYSA-N 0 0 424.360 4.767 50 0 HJAARN CCCc1ccc([C@H](NC(=O)CNC(=O)Nc2ccccc2)c2cccs2)cc1 ZINC000012920255 569022945 /nfs/dbraw/zinc/02/29/45/569022945.db2.gz GSZJJYWUNVUYSW-QFIPXVFZSA-N 0 0 407.539 4.728 50 0 HJAARN CCCc1ccc(-c2csc(NC(=O)C3CCN(C(=O)c4ccoc4)CC3)n2)cc1 ZINC000012923644 569023403 /nfs/dbraw/zinc/02/34/03/569023403.db2.gz QUSUMHHDTGYMIH-UHFFFAOYSA-N 0 0 423.538 4.847 50 0 HJAARN CC(=O)N(c1nc(CSc2nnc3n2CCCCC3)cs1)c1ccccc1F ZINC000012923650 569023428 /nfs/dbraw/zinc/02/34/28/569023428.db2.gz GHWGNZNOAZGJCD-UHFFFAOYSA-N 0 0 417.535 4.577 50 0 HJAARN Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3cccc(NC(=O)C4CC4)c3)c12 ZINC000012929355 569024385 /nfs/dbraw/zinc/02/43/85/569024385.db2.gz GAQBBLQUCYGHHO-UHFFFAOYSA-N 0 0 412.449 4.799 50 0 HJAARN COc1ccc(O)c([C@@H]2CC(c3c(=O)cc(C)oc3[O-])=Nc3ccccc3S2)c1 ZINC000137543900 569024675 /nfs/dbraw/zinc/02/46/75/569024675.db2.gz SGURJIKSHABTSU-FQEVSTJZSA-N 0 0 409.463 4.726 50 0 HJAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1ccc(F)cc1F)CC2 ZINC000016002285 569025472 /nfs/dbraw/zinc/02/54/72/569025472.db2.gz OQWFOAFKKZJTFC-HSZRJFAPSA-N 0 0 409.432 4.770 50 0 HJAARN Fc1cc(Br)cc(Br)c1NC(=S)N1CCCCCC1 ZINC000575442374 569027831 /nfs/dbraw/zinc/02/78/31/569027831.db2.gz DQOBIIZYQKHANE-UHFFFAOYSA-N 0 0 410.150 4.924 50 0 HJAARN O=C(CSc1ccc(Cl)cc1)Nc1nnc(-c2ccc(Br)cc2)o1 ZINC000016048044 569028393 /nfs/dbraw/zinc/02/83/93/569028393.db2.gz VNWGUWCEHYGBFP-UHFFFAOYSA-N 0 0 424.707 4.883 50 0 HJAARN Cc1ccc(S(=O)(=O)c2c(C)cc(C)nc2[S@](=O)c2ccc(Cl)cc2)cc1 ZINC000006183539 569028728 /nfs/dbraw/zinc/02/87/28/569028728.db2.gz XTPZVMWYKOLMQQ-SANMLTNESA-N 0 0 419.955 4.660 50 0 HJAARN CC(C)n1ncc2cc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)cnc21 ZINC000016106477 569028989 /nfs/dbraw/zinc/02/89/89/569028989.db2.gz YEXIVFHGTCJHNF-UHFFFAOYSA-N 0 0 423.480 4.512 50 0 HJAARN Cc1ccc(-n2nc3c(c2NC(=O)/C=C\c2ccc4c(c2)OCO4)CSC3)cc1C ZINC000035306142 569029716 /nfs/dbraw/zinc/02/97/16/569029716.db2.gz ZEALJEHYUHRFEY-YVMONPNESA-N 0 0 419.506 4.617 50 0 HJAARN Cc1nc2cc(NC(=O)CSc3nncn3-c3ccc(C(C)C)cc3)ccc2o1 ZINC000026390567 569031702 /nfs/dbraw/zinc/03/17/02/569031702.db2.gz SQXKLZIKAFXYHL-UHFFFAOYSA-N 0 0 407.499 4.571 50 0 HJAARN COc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)c2cccs2)cc1 ZINC000000639191 569032927 /nfs/dbraw/zinc/03/29/27/569032927.db2.gz OCXNYFNNYVGEDU-UHFFFAOYSA-N 0 0 421.547 4.903 50 0 HJAARN COc1ccc(-c2nc(NC(=O)CSCc3c(C)noc3C)sc2C)cc1 ZINC000006217292 569033288 /nfs/dbraw/zinc/03/32/88/569033288.db2.gz FPBWFBVNWJOIBU-UHFFFAOYSA-N 0 0 403.529 4.604 50 0 HJAARN Cc1nc(-c2cccs2)sc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000026562902 569033289 /nfs/dbraw/zinc/03/32/89/569033289.db2.gz DADNBJVTRCSFHO-UHFFFAOYSA-N 0 0 403.960 4.796 50 0 HJAARN O=C(COC(=O)c1cc2c(s1)CCC2)Nc1cc(Cl)c(Cl)cc1Cl ZINC000006224225 569033541 /nfs/dbraw/zinc/03/35/41/569033541.db2.gz QOVNKRMULJSONF-UHFFFAOYSA-N 0 0 404.702 4.993 50 0 HJAARN Cc1ccc(-c2noc(C3CCN(C(=O)CCc4c[nH]c5ccccc45)CC3)n2)cc1 ZINC000035375798 569034048 /nfs/dbraw/zinc/03/40/48/569034048.db2.gz XALUIBYSXHDQLK-UHFFFAOYSA-N 0 0 414.509 4.865 50 0 HJAARN Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)Nc4cc(C)cc(C)c4)C3)nn2)cc1 ZINC000035398083 569035050 /nfs/dbraw/zinc/03/50/50/569035050.db2.gz QHLNMDCOBNDZLL-OAQYLSRUSA-N 0 0 400.526 4.924 50 0 HJAARN Cc1cccc(-c2ccc(N3CCC[C@@H](C(=O)NCCC4=CCCCC4)C3)nn2)c1 ZINC000035398227 569035106 /nfs/dbraw/zinc/03/51/06/569035106.db2.gz KBDLIKBLAJZMAC-JOCHJYFZSA-N 0 0 404.558 4.675 50 0 HJAARN Cc1cc(C)c(S(=O)(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)c(C)c1 ZINC000035399219 569035260 /nfs/dbraw/zinc/03/52/60/569035260.db2.gz CEQDLJXIBFJSPU-UHFFFAOYSA-N 0 0 421.566 4.508 50 0 biogenic HJAARN O=C(c1ccccc1Br)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000035399388 569035294 /nfs/dbraw/zinc/03/52/94/569035294.db2.gz CCOQAAFKANGXAP-UHFFFAOYSA-N 0 0 422.326 4.797 50 0 biogenic HJAARN COc1ccc(Cn2cnc3c4ccccc4n(Cc4ccccc4C)c3c2=O)cc1 ZINC000035400194 569035421 /nfs/dbraw/zinc/03/54/21/569035421.db2.gz HWXONHUXRZQCAZ-UHFFFAOYSA-N 0 0 409.489 4.765 50 0 HJAARN COc1cc(C)c(NC(=O)CCCOc2cccc(Br)c2)cc1OC ZINC000006259089 569035846 /nfs/dbraw/zinc/03/58/46/569035846.db2.gz WVZDIYIFELBOCG-UHFFFAOYSA-N 0 0 408.292 4.572 50 0 HJAARN COc1ccc2c(c1)NC1(CCN(C(=O)Nc3ccc(C)cc3)CC1)c1cccn1-2 ZINC000035446875 569037231 /nfs/dbraw/zinc/03/72/31/569037231.db2.gz CLQDTFCLSSBYMN-UHFFFAOYSA-N 0 0 402.498 4.743 50 0 biogenic HJAARN CCn1cnc2cc(-c3noc(-c4ccc(C)c(NC(=O)c5ccco5)c4)n3)ccc21 ZINC000035453364 569037675 /nfs/dbraw/zinc/03/76/75/569037675.db2.gz XVQRHASRTVVRPB-UHFFFAOYSA-N 0 0 413.437 4.927 50 0 HJAARN CCCN1c2ccc(-c3noc(-c4cnccn4)n3)cc2Sc2ccccc2C1=O ZINC000035453818 569037813 /nfs/dbraw/zinc/03/78/13/569037813.db2.gz BBSIKODMGSJERY-UHFFFAOYSA-N 0 0 415.478 4.715 50 0 HJAARN O=C(CCn1cnc2cc(-c3noc(-c4cccs4)n3)ccc21)N1CCCCCC1 ZINC000035460579 569038173 /nfs/dbraw/zinc/03/81/73/569038173.db2.gz YJPPLWTYJRXQCF-UHFFFAOYSA-N 0 0 421.526 4.608 50 0 HJAARN Cc1nnc2c(Oc3ccc(NC(=O)c4ccc(C)cc4)cc3)nc3ccccc3n12 ZINC000035460890 569038224 /nfs/dbraw/zinc/03/82/24/569038224.db2.gz XXPKUEROWWQZAN-UHFFFAOYSA-N 0 0 409.449 4.939 50 0 HJAARN Cc1ccc(N(Cc2nc3nc(C)cc(C)n3n2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000035476715 569038390 /nfs/dbraw/zinc/03/83/90/569038390.db2.gz PAXWTSCIAFJVPU-UHFFFAOYSA-N 0 0 405.889 4.550 50 0 HJAARN O=C(Nc1ccccc1F)[C@@H]1CCCN(c2nc3ccccc3nc2C(F)(F)F)C1 ZINC000035478450 569038538 /nfs/dbraw/zinc/03/85/38/569038538.db2.gz MBBVDDSKIKQIFU-CYBMUJFWSA-N 0 0 418.394 4.643 50 0 HJAARN COc1cc(OC)c(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1OC ZINC000006306552 569038614 /nfs/dbraw/zinc/03/86/14/569038614.db2.gz IMPMINYSMRLCTE-UHFFFAOYSA-N 0 0 405.494 4.664 50 0 HJAARN O=C(CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)NCC(F)(F)F ZINC000006309652 569039159 /nfs/dbraw/zinc/03/91/59/569039159.db2.gz YNIMCROMIUZVAS-UHFFFAOYSA-N 0 0 413.852 4.509 50 0 HJAARN CCc1ccccc1NC(=O)N1CCc2nc(-c3ccc(OC)c(OC)c3)sc2C1 ZINC000035480492 569039234 /nfs/dbraw/zinc/03/92/34/569039234.db2.gz KKERWTSWKZCECF-UHFFFAOYSA-N 0 0 423.538 4.980 50 0 HJAARN O=C(NCCC1=CCCCC1)[C@H]1CCCN(c2ccnc(-c3ccc(F)cc3)n2)C1 ZINC000035482935 569039577 /nfs/dbraw/zinc/03/95/77/569039577.db2.gz RHSOETLXYIJWAV-FQEVSTJZSA-N 0 0 408.521 4.506 50 0 HJAARN Cc1cc(NC(=O)COc2ccccc2F)n(-c2nc(-c3ccc(C)cc3)cs2)n1 ZINC000012441911 569040111 /nfs/dbraw/zinc/04/01/11/569040111.db2.gz CTBXHGYISHKPBG-UHFFFAOYSA-N 0 0 422.485 4.769 50 0 HJAARN COc1ccc(NC(=O)CSc2nc3ccccc3n2CCC(C)C)cc1OC ZINC000012520770 569040129 /nfs/dbraw/zinc/04/01/29/569040129.db2.gz KFWYXUSHDNINBH-UHFFFAOYSA-N 0 0 413.543 4.830 50 0 HJAARN COc1cc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)ccc1OC(F)F ZINC000012628535 569040239 /nfs/dbraw/zinc/04/02/39/569040239.db2.gz LAYSDDQWONPHMJ-QXLXQBSBSA-N 0 0 413.424 4.550 50 0 HJAARN Cc1ccc([C@@H](C)NC(=O)C2CCN(c3ccnc(-c4cccc(C)c4)n3)CC2)cc1 ZINC000035502283 569040360 /nfs/dbraw/zinc/04/03/60/569040360.db2.gz SUSSWVKNUMZRIQ-HXUWFJFHSA-N 0 0 414.553 4.854 50 0 HJAARN Cc1ccc(-c2nccc(N3CCC(C(=O)NCCC4=CCCCC4)CC3)n2)cc1 ZINC000035502338 569040364 /nfs/dbraw/zinc/04/03/64/569040364.db2.gz JMPQSDUNMVPHJA-UHFFFAOYSA-N 0 0 404.558 4.675 50 0 HJAARN CN(Cc1ccccc1OC(F)(F)F)C(=O)Cc1csc(-c2ccsc2)n1 ZINC000012979004 569042616 /nfs/dbraw/zinc/04/26/16/569042616.db2.gz PPMODZTUJYENFE-UHFFFAOYSA-N 0 0 412.458 4.971 50 0 HJAARN CCOc1cc2c(cc1NC(=O)c1cc(C3CC3)nn1-c1ccccc1)O[C@@H](C)C2 ZINC000012979033 569042642 /nfs/dbraw/zinc/04/26/42/569042642.db2.gz PASMAJGUNCKODH-HNNXBMFYSA-N 0 0 403.482 4.724 50 0 HJAARN O=S1(=O)c2ccccc2C(c2ccccc2)=NN1Cc1cccc(C(F)(F)F)c1 ZINC000090610252 569042708 /nfs/dbraw/zinc/04/27/08/569042708.db2.gz SOHJVYJIHFCDGB-UHFFFAOYSA-N 0 0 416.424 4.662 50 0 HJAARN Cn1nnc2cc(-c3noc(-c4cn(-c5ccccc5)nc4-c4ccccc4)n3)ccc21 ZINC000035511121 569043046 /nfs/dbraw/zinc/04/30/46/569043046.db2.gz JFMNSBWFNZDXHQ-UHFFFAOYSA-N 0 0 419.448 4.538 50 0 HJAARN CCCCOc1ccc(CNC(=O)CC2CCN(C(=O)Nc3ccccc3)CC2)cc1 ZINC000035528968 569044103 /nfs/dbraw/zinc/04/41/03/569044103.db2.gz WJZUADWMLUMVEV-UHFFFAOYSA-N 0 0 423.557 4.816 50 0 HJAARN Cc1ccccc1CSc1nnc2n1c1ccsc1c(=O)n2Cc1ccccc1 ZINC000035529231 569044194 /nfs/dbraw/zinc/04/41/94/569044194.db2.gz WDEONNNFHVCEJZ-UHFFFAOYSA-N 0 0 418.547 4.755 50 0 HJAARN O=C(Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1)c1cccc(C(F)(F)F)c1 ZINC000035598170 569045878 /nfs/dbraw/zinc/04/58/78/569045878.db2.gz MNLXSPNAPXCTQT-UHFFFAOYSA-N 0 0 424.386 4.677 50 0 HJAARN C[C@H](Oc1ccc(F)cc1)c1nnc(S[C@@H](C)C(=O)N(C)C2CCCCC2)o1 ZINC000012982375 569047334 /nfs/dbraw/zinc/04/73/34/569047334.db2.gz PGHVFPZTMDBHRN-KBPBESRZSA-N 0 0 407.511 4.620 50 0 HJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000012983494 569047597 /nfs/dbraw/zinc/04/75/97/569047597.db2.gz RUKHNPKWBOUXDC-JLTOFOAXSA-N 0 0 413.315 4.591 50 0 HJAARN CN(Cc1csc(-c2ccc(Cl)cc2)n1)Cc1ccccc1N1CCOCC1 ZINC000016424794 569048328 /nfs/dbraw/zinc/04/83/28/569048328.db2.gz XTFMVDCLJHJZGM-UHFFFAOYSA-N 0 0 413.974 4.932 50 0 HJAARN CC(=O)Nc1sc(NC(=O)COc2ccc(Cl)cc2)nc1-c1ccc(C)cc1 ZINC000035671516 569048477 /nfs/dbraw/zinc/04/84/77/569048477.db2.gz AYRITMRUUQEDIW-UHFFFAOYSA-N 0 0 415.902 4.748 50 0 HJAARN CCc1ccc(NC(=O)c2sc3ncn(Cc4ccccc4)c(=O)c3c2C)cc1 ZINC000035672066 569048573 /nfs/dbraw/zinc/04/85/73/569048573.db2.gz FRIFMYJKYCTJJQ-UHFFFAOYSA-N 0 0 403.507 4.629 50 0 HJAARN CCOC(=O)c1ccc2nc(NC(=O)c3c(C)noc3-c3ccc(C)cc3)sc2c1 ZINC000035672794 569048618 /nfs/dbraw/zinc/04/86/18/569048618.db2.gz PJOYVQATYZIVJW-UHFFFAOYSA-N 0 0 421.478 4.997 50 0 HJAARN O=C1N[C@H](N2CCCC2)C(F)=CN1c1nc(-c2ccccc2)oc1-c1ccccc1 ZINC000035681922 569049022 /nfs/dbraw/zinc/04/90/22/569049022.db2.gz NQSHCISRCCHTPL-HXUWFJFHSA-N 0 0 404.445 4.771 50 0 HJAARN C[C@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(Cc2coc(-c3ccccc3)n2)C1=O ZINC000013017409 569050961 /nfs/dbraw/zinc/05/09/61/569050961.db2.gz RSNSTZVGSHAORR-HXUWFJFHSA-N 0 0 416.264 4.616 50 0 HJAARN O=C(C[C@@H](c1ccccc1)n1cccc1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000253402891 569051348 /nfs/dbraw/zinc/05/13/48/569051348.db2.gz GSVLAXOMXFXXBS-QFIPXVFZSA-N 0 0 408.929 4.631 50 0 HJAARN COc1cccc(NC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2ccccc2)c1 ZINC000013048195 569052480 /nfs/dbraw/zinc/05/24/80/569052480.db2.gz SVYCESMHNNOXBJ-DEOSSOPVSA-N 0 0 418.493 4.892 50 0 HJAARN CCOc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000239432872 569054340 /nfs/dbraw/zinc/05/43/40/569054340.db2.gz WSQCTQFTERXMRY-LIOHBJMPSA-N 0 0 423.512 5.328 50 0 HJAARN O=C(Nc1cccc(Br)c1)[C@H]1[C@@H]2CC[C@@H]3[C@H](CC[C@@H]21)C3(Cl)Cl ZINC000239433781 569054385 /nfs/dbraw/zinc/05/43/85/569054385.db2.gz YLNAXLXLRCUAOJ-OYQDBORRSA-N 0 0 403.147 5.244 50 0 HJAARN COc1cccc(N[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccccc2F)c2ccccc2)c1 ZINC000240321569 569054569 /nfs/dbraw/zinc/05/45/69/569054569.db2.gz FAKVRPOMLUOVKX-WMTXJRDZSA-N 0 0 404.485 4.907 50 0 HJAARN Cc1cc(C)c(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccs4)[C@H]3C2=O)c(C)c1 ZINC000245309777 569055651 /nfs/dbraw/zinc/05/56/51/569055651.db2.gz GGXVKOKJHJWILE-CEMLEFRQSA-N 0 0 418.518 4.724 50 0 HJAARN CC(C)OC(=O)c1ccc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1 ZINC000016490144 569057383 /nfs/dbraw/zinc/05/73/83/569057383.db2.gz FLDDMZQQVXBXTI-UHFFFAOYSA-N 0 0 412.486 4.529 50 0 HJAARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(CC(C)C)C(=O)c2cccs2)o1 ZINC000035765793 569058055 /nfs/dbraw/zinc/05/80/55/569058055.db2.gz NRYOQPKKMWZUTJ-UHFFFAOYSA-N 0 0 424.566 4.977 50 0 HJAARN COc1cc(C(=O)Nc2n[nH]c3c2cccc3Cl)ccc1OCc1cscn1 ZINC000089429293 569060385 /nfs/dbraw/zinc/06/03/85/569060385.db2.gz FDERVWRSVPDHIA-UHFFFAOYSA-N 0 0 414.874 4.513 50 0 HJAARN O=C(CN1c2ccccc2S[C@H](c2ccccc2)CC1=O)NCCc1ccccc1 ZINC000006495887 569061382 /nfs/dbraw/zinc/06/13/82/569061382.db2.gz MXRQDTCHYYMUHE-QHCPKHFHSA-N 0 0 416.546 4.616 50 0 HJAARN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccccc3C)C2)cc1 ZINC000064452541 569062966 /nfs/dbraw/zinc/06/29/66/569062966.db2.gz VQFORKGWLYSGCS-LJQANCHMSA-N 0 0 402.498 4.741 50 0 HJAARN CCOC(=O)c1cccc(Nc2c(C(=O)N3CCCC3)cnc3ccc(F)cc32)c1 ZINC000064471972 569063570 /nfs/dbraw/zinc/06/35/70/569063570.db2.gz QBSSZJRCGICULC-UHFFFAOYSA-N 0 0 407.445 4.530 50 0 HJAARN COc1ccc2nc(C(=O)N3CCC(C)CC3)cc(Nc3ccc(N(C)C)cc3)c2c1 ZINC000064474031 569063613 /nfs/dbraw/zinc/06/36/13/569063613.db2.gz PMUMMBCOOFKNKT-UHFFFAOYSA-N 0 0 418.541 4.925 50 0 HJAARN Cc1ccc(NC(=O)N2CCCN(c3nc4cc(F)ccc4n4cccc34)CC2)cc1 ZINC000064473141 569063697 /nfs/dbraw/zinc/06/36/97/569063697.db2.gz VLQMAQMJJPNMDZ-UHFFFAOYSA-N 0 0 417.488 4.679 50 0 HJAARN CC[C@H]1Oc2ccc(NC(=O)Cc3cccs3)cc2CN(Cc2ccccc2)C1=O ZINC000035873058 569064191 /nfs/dbraw/zinc/06/41/91/569064191.db2.gz PIRBYYIPGVBDMV-OAQYLSRUSA-N 0 0 420.534 4.629 50 0 HJAARN C[C@H]1Oc2ccc(NC(=O)C3CCCC3)cc2CN(Cc2ccccc2Cl)C1=O ZINC000035885424 569064552 /nfs/dbraw/zinc/06/45/52/569064552.db2.gz ZKEAGQCZEASVTH-OAHLLOKOSA-N 0 0 412.917 4.778 50 0 HJAARN CC[C@H]1Oc2ccc(NC(=O)C3CCCC3)cc2CN(Cc2ccc(F)cc2)C1=O ZINC000035883987 569064556 /nfs/dbraw/zinc/06/45/56/569064556.db2.gz FZXXUZLTKQCOBI-OAQYLSRUSA-N 0 0 410.489 4.654 50 0 HJAARN C[C@@H]1Oc2ccc(NC(=O)c3ccccc3)cc2CN(Cc2ccc(Cl)cc2)C1=O ZINC000035885273 569064573 /nfs/dbraw/zinc/06/45/73/569064573.db2.gz BWDOOKOBHCUOBS-INIZCTEOSA-N 0 0 420.896 4.902 50 0 HJAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000006551288 569065409 /nfs/dbraw/zinc/06/54/09/569065409.db2.gz RRUPHORIPFZAGX-UHFFFAOYSA-N 0 0 412.917 4.832 50 0 HJAARN COc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 ZINC000035910902 569065926 /nfs/dbraw/zinc/06/59/26/569065926.db2.gz RBEJQBGZEZYMLA-HSZRJFAPSA-N 0 0 422.481 4.865 50 0 HJAARN CC(=O)Nc1ccc(C(=O)NC[C@@H](c2cccs2)c2c[nH]c3ccccc32)cc1 ZINC000006561108 569066044 /nfs/dbraw/zinc/06/60/44/569066044.db2.gz FSRRGUAIWAZPGI-HXUWFJFHSA-N 0 0 403.507 4.750 50 0 HJAARN CC(=O)c1c(C)[nH]c(C(=O)COc2ncnc3scc(-c4ccccc4)c32)c1C ZINC000006560855 569066057 /nfs/dbraw/zinc/06/60/57/569066057.db2.gz NOVMORJUTWGZSV-UHFFFAOYSA-N 0 0 405.479 4.768 50 0 HJAARN O=c1cc(CSc2nc(-c3cccs3)nc3ccccc32)nc2sccn21 ZINC000006561167 569066079 /nfs/dbraw/zinc/06/60/79/569066079.db2.gz ANQWTKUFJGACHQ-UHFFFAOYSA-N 0 0 408.533 4.720 50 0 HJAARN Cc1ccc2nc(C(=O)Nc3ccc4c(c3)OCCO4)cc(N3CCCCC3)c2c1 ZINC000064568334 569067557 /nfs/dbraw/zinc/06/75/57/569067557.db2.gz PFHBPWVYVBJZRF-UHFFFAOYSA-N 0 0 403.482 4.557 50 0 HJAARN O=c1[nH]c2ccccc2n1CCCSc1nnc(-c2ccco2)n1C1CCCCC1 ZINC000006587622 569067860 /nfs/dbraw/zinc/06/78/60/569067860.db2.gz SJAHTMVBYAGWCJ-UHFFFAOYSA-N 0 0 423.542 4.869 50 0 HJAARN C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=S)Nc2ccccc2F)cc1 ZINC000006583999 569068008 /nfs/dbraw/zinc/06/80/08/569068008.db2.gz HGYZJMWWIYHLIJ-HUUCEWRRSA-N 0 0 421.563 4.586 50 0 HJAARN C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=S)Nc2ccccc2F)cc1 ZINC000006583997 569068011 /nfs/dbraw/zinc/06/80/11/569068011.db2.gz HGYZJMWWIYHLIJ-GJZGRUSLSA-N 0 0 421.563 4.586 50 0 HJAARN CCC(CC)NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1 ZINC000006599267 569069264 /nfs/dbraw/zinc/06/92/64/569069264.db2.gz YMWIMHJDADHPKA-UHFFFAOYSA-N 0 0 407.605 4.587 50 0 HJAARN O=C(C=Cc1ccc(N2CCCC2=O)cc1)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000207885545 569069331 /nfs/dbraw/zinc/06/93/31/569069331.db2.gz FDJXIZJNRAHNKG-JYRVWZFOSA-N 0 0 400.482 4.609 50 0 HJAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C(=O)C(C)C ZINC000035976947 569069686 /nfs/dbraw/zinc/06/96/86/569069686.db2.gz DZQDDFIIFAJCLA-UHFFFAOYSA-N 0 0 421.541 4.912 50 0 HJAARN COCC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)CC(C)C ZINC000035977800 569069718 /nfs/dbraw/zinc/06/97/18/569069718.db2.gz POLDMWOLROMYCN-UHFFFAOYSA-N 0 0 407.514 4.510 50 0 HJAARN CCCN(Cc1c(C(F)(F)F)nn(-c2ccccc2)c1N(C)C)C(=O)C1CCCC1 ZINC000035975292 569069724 /nfs/dbraw/zinc/06/97/24/569069724.db2.gz AEQWYBPWSYIELQ-UHFFFAOYSA-N 0 0 422.495 4.886 50 0 HJAARN O=C(Cc1c[nH]c2ccccc12)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000006604705 569070951 /nfs/dbraw/zinc/07/09/51/569070951.db2.gz RYRRFSORMYHXBQ-UHFFFAOYSA-N 0 0 406.873 4.605 50 0 HJAARN Cc1ccccc1NC(=S)N[C@@H](NC(=O)CC(C)(C)C)C(Cl)(Cl)Cl ZINC000005740624 569071980 /nfs/dbraw/zinc/07/19/80/569071980.db2.gz TYBNZUFLVCYNTJ-CYBMUJFWSA-N 0 0 410.798 4.530 50 0 HJAARN CCCC[C@@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)CN1C(=O)c1cc(C)no1 ZINC000426512134 569073300 /nfs/dbraw/zinc/07/33/00/569073300.db2.gz MMILSTFIQKNJOV-JOCHJYFZSA-N 0 0 417.509 4.698 50 0 HJAARN COc1ccc(-c2ncc(C(=O)N3CCC(C)CC3)c(N(C)C3CCCCC3)n2)cc1 ZINC000035988132 569074226 /nfs/dbraw/zinc/07/42/26/569074226.db2.gz DRVNIFQSNGWCOR-UHFFFAOYSA-N 0 0 422.573 4.793 50 0 HJAARN CCOc1ccc(-n2c(SCc3c(C)noc3C)nnc2-c2cccnc2)cc1 ZINC000006617473 569074782 /nfs/dbraw/zinc/07/47/82/569074782.db2.gz RZZZSGSBJHIHFM-UHFFFAOYSA-N 0 0 407.499 4.625 50 0 HJAARN CCc1cccc2c([C@H](CC(=O)NCc3ccncc3)c3ccc(OC)cc3)c[nH]c21 ZINC000036000330 569074963 /nfs/dbraw/zinc/07/49/63/569074963.db2.gz IEDSFENTFBDWAR-HSZRJFAPSA-N 0 0 413.521 4.972 50 0 HJAARN COc1ccc(NC(=O)Cc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)cc1OC ZINC000006623847 569075338 /nfs/dbraw/zinc/07/53/38/569075338.db2.gz DQFNMTVNENPKAO-UHFFFAOYSA-N 0 0 421.449 4.663 50 0 biogenic HJAARN Cc1oc2c(cc3c(C)c(CC(=O)NCCc4ccsc4)c(=O)oc3c2C)c1C ZINC000006624001 569075431 /nfs/dbraw/zinc/07/54/31/569075431.db2.gz QVDKMLSYSFVDFS-UHFFFAOYSA-N 0 0 409.507 4.736 50 0 biogenic HJAARN Cc1ccc(-c2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)C(C)C)no2)c(C)c1 ZINC000036012351 569075789 /nfs/dbraw/zinc/07/57/89/569075789.db2.gz OMRCZTVVDFKMBP-UHFFFAOYSA-N 0 0 406.482 4.872 50 0 HJAARN COc1ccc(C(=O)N(Cc2cc(-c3ccco3)on2)Cc2ccc(F)cc2)cc1 ZINC000036016361 569076687 /nfs/dbraw/zinc/07/66/87/569076687.db2.gz HORMNJUQWOETFC-UHFFFAOYSA-N 0 0 406.413 4.925 50 0 HJAARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2ccccc2F)cc1 ZINC000064656771 569076874 /nfs/dbraw/zinc/07/68/74/569076874.db2.gz RZUZUONBNRRJAX-HNNXBMFYSA-N 0 0 401.484 4.503 50 0 HJAARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2c(F)cccc2F)cc1 ZINC000064656821 569077016 /nfs/dbraw/zinc/07/70/16/569077016.db2.gz MJOYOYLPZYKYSZ-CYBMUJFWSA-N 0 0 419.474 4.642 50 0 HJAARN O=C(C[C@@H]1COc2ccccc2N1Cc1ccccc1)NCc1ccccc1Cl ZINC000064663337 569078043 /nfs/dbraw/zinc/07/80/43/569078043.db2.gz YSBPFQXGGRYAGI-HXUWFJFHSA-N 0 0 406.913 4.814 50 0 HJAARN Cc1nc(-c2ccc(C(C)C)c(S(=O)(=O)N3CCc4ccccc4C3)c2)cs1 ZINC000064669967 569079048 /nfs/dbraw/zinc/07/90/48/569079048.db2.gz OVSUCXRLZGICBX-UHFFFAOYSA-N 0 0 412.580 4.989 50 0 HJAARN Cc1ccc(CNC(=O)C[C@@H]2COc3ccccc3N2Cc2ccc(F)cc2)cc1 ZINC000064663873 569079719 /nfs/dbraw/zinc/07/97/19/569079719.db2.gz KOJFLVMMQIZRGH-JOCHJYFZSA-N 0 0 404.485 4.608 50 0 HJAARN O=C(C[C@@H]1COc2ccccc2N1Cc1ccc(F)cc1)NCc1ccccc1Cl ZINC000064663854 569079728 /nfs/dbraw/zinc/07/97/28/569079728.db2.gz RYCYTOJPIALLBO-HXUWFJFHSA-N 0 0 424.903 4.953 50 0 HJAARN Cc1ccc(CNC(=O)c2ccc(Nc3ccnc(-c4cccc(F)c4)n3)cc2)o1 ZINC000064664038 569079873 /nfs/dbraw/zinc/07/98/73/569079873.db2.gz GEZYLTLJSXSKGP-UHFFFAOYSA-N 0 0 402.429 4.858 50 0 HJAARN Cc1ccc(CNC(=O)c2ccc(Oc3ccnc(-c4ccc(F)cc4)n3)cc2)o1 ZINC000064676075 569080176 /nfs/dbraw/zinc/08/01/76/569080176.db2.gz JQWSJWYSWPGYBR-UHFFFAOYSA-N 0 0 403.413 4.906 50 0 HJAARN CC[C@H](C)NC(=O)CCc1c(-c2ccc(Br)cc2)nc2ccccn21 ZINC000064675749 569080231 /nfs/dbraw/zinc/08/02/31/569080231.db2.gz LSOCIHNWPZBYOV-AWEZNQCLSA-N 0 0 400.320 4.611 50 0 HJAARN COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)CCSc1ccc(F)cc1 ZINC000006650011 569080337 /nfs/dbraw/zinc/08/03/37/569080337.db2.gz ZVXGSGSJYNKLOW-UHFFFAOYSA-N 0 0 419.518 4.796 50 0 HJAARN Cc1ccc(N2C(=O)CC[C@H](C(=O)NCc3ccccc3)[C@@H]2c2cccs2)cc1 ZINC000006648795 569081265 /nfs/dbraw/zinc/08/12/65/569081265.db2.gz GKZNDLUYJYDUBS-NZQKXSOJSA-N 0 0 404.535 4.857 50 0 HJAARN Cc1ccc(C)c(Sc2ccc(NC(=O)c3n[nH]c(=O)c4ccccc43)cc2)c1 ZINC000006657848 569083365 /nfs/dbraw/zinc/08/33/65/569083365.db2.gz CPAOAGCJTRVTIZ-UHFFFAOYSA-N 0 0 401.491 4.943 50 0 HJAARN Cc1ccc(CN(Cc2nc(C(=O)NCc3ccco3)co2)[C@@H](C)C(C)C)c(C)c1 ZINC000036065615 569085858 /nfs/dbraw/zinc/08/58/58/569085858.db2.gz IIBDQWAXGXBQEJ-IBGZPJMESA-N 0 0 409.530 4.861 50 0 HJAARN CC[C@H](C)NC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2cccc(F)c2)n1 ZINC000036072445 569086621 /nfs/dbraw/zinc/08/66/21/569086621.db2.gz KAOVRYMIJZPZJF-INIZCTEOSA-N 0 0 413.468 4.684 50 0 HJAARN CC[C@H](C)NC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2cccc(C)c2)n1 ZINC000036072511 569086730 /nfs/dbraw/zinc/08/67/30/569086730.db2.gz MUCADMJGMLGFNG-SFHVURJKSA-N 0 0 409.505 4.853 50 0 HJAARN CCCCCC(=O)N(CC(=O)N(Cc1ccc(C)o1)Cc1ccc(F)cc1)C1CC1 ZINC000006670891 569086923 /nfs/dbraw/zinc/08/69/23/569086923.db2.gz LFEJUCNYVYZYSG-UHFFFAOYSA-N 0 0 414.521 4.827 50 0 HJAARN O=C(/C=C/c1ccco1)N1CCC[C@@H]1c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000064747159 569088602 /nfs/dbraw/zinc/08/86/02/569088602.db2.gz YDGZMCXXLFNMLA-ROJDOSBLSA-N 0 0 403.360 4.725 50 0 HJAARN CCOc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3cccc(OC)c3)no2)cc1 ZINC000064747443 569088779 /nfs/dbraw/zinc/08/87/79/569088779.db2.gz WSNFOMBHBUHTOV-IBGZPJMESA-N 0 0 408.458 4.513 50 0 HJAARN CC(C)S(=O)(=O)c1nc2ccc(NC(=O)c3ccc(F)c(Cl)c3)cc2s1 ZINC000064747876 569089147 /nfs/dbraw/zinc/08/91/47/569089147.db2.gz PYHAJQUSNCLKSW-UHFFFAOYSA-N 0 0 412.895 4.523 50 0 HJAARN Cc1cc(C(=O)CSc2n[nH]c(-c3cccs3)n2)c(C)n1Cc1ccccc1 ZINC000006683581 569089202 /nfs/dbraw/zinc/08/92/02/569089202.db2.gz XHVVTQUKENULII-UHFFFAOYSA-N 0 0 408.552 4.975 50 0 HJAARN Cc1ccccc1NC(=O)c1ccc2c(c1)ncn2CCC(=O)Nc1ccc(F)cc1 ZINC000064748055 569089245 /nfs/dbraw/zinc/08/92/45/569089245.db2.gz BJDLBDIANXXMCG-UHFFFAOYSA-N 0 0 416.456 4.765 50 0 HJAARN COc1ccc(Cn2ccnc2CN(CC(C)C)C(=O)c2ccc(Cl)cc2)cc1 ZINC000006690715 569091404 /nfs/dbraw/zinc/09/14/04/569091404.db2.gz GMIJVNNOJLJJSU-UHFFFAOYSA-N 0 0 411.933 4.892 50 0 HJAARN O=C(c1cccs1)N(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000006695362 569091626 /nfs/dbraw/zinc/09/16/26/569091626.db2.gz IMWMAOQHACGUQD-LJQANCHMSA-N 0 0 412.461 4.862 50 0 HJAARN O[C@H](COc1ccccc1)CN(Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000036104188 569092403 /nfs/dbraw/zinc/09/24/03/569092403.db2.gz IFHSYLWHGGLEPP-NRFANRHFSA-N 0 0 401.428 4.546 50 0 HJAARN CCc1csc(-c2ccc(S(=O)(=O)N[C@H](CC)c3ccc(OC)cc3)s2)n1 ZINC000064769419 569092612 /nfs/dbraw/zinc/09/26/12/569092612.db2.gz NMAAAQQGNMXWAK-MRXNPFEDSA-N 0 0 422.597 4.872 50 0 HJAARN CC[C@H](C)N(Cc1csc(COc2ccccc2OC)n1)C(=O)c1ccco1 ZINC000036105740 569092905 /nfs/dbraw/zinc/09/29/05/569092905.db2.gz RYNSFCFZIAJFNC-HNNXBMFYSA-N 0 0 400.500 4.765 50 0 HJAARN COCCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)C1CCCC1 ZINC000036106903 569093199 /nfs/dbraw/zinc/09/31/99/569093199.db2.gz ZDAOEJITVNTRTQ-UHFFFAOYSA-N 0 0 402.560 4.504 50 0 HJAARN COCCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)Cc1ccccc1 ZINC000036106905 569093274 /nfs/dbraw/zinc/09/32/74/569093274.db2.gz FVAMPPBZTOMFJS-UHFFFAOYSA-N 0 0 424.566 4.557 50 0 HJAARN COCCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)C1CCCC1 ZINC000036107202 569093322 /nfs/dbraw/zinc/09/33/22/569093322.db2.gz DOCMMZKFAHJRAJ-UHFFFAOYSA-N 0 0 402.560 4.504 50 0 HJAARN Cc1oc(-c2ccc(C)cc2)nc1Cn1nnc(C(=O)Nc2cccc(Cl)c2)c1C ZINC000064774965 569093387 /nfs/dbraw/zinc/09/33/87/569093387.db2.gz SXVLJCQGGUFBPS-UHFFFAOYSA-N 0 0 421.888 4.812 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccccc1)CC2=O ZINC000064775554 569093600 /nfs/dbraw/zinc/09/36/00/569093600.db2.gz PYWFIIUUKUNTTC-OAHLLOKOSA-N 0 0 406.869 4.502 50 0 HJAARN COCCCN(Cc1csc(COc2ccc(C)cc2)n1)C(=O)c1ccccc1 ZINC000036114733 569094021 /nfs/dbraw/zinc/09/40/21/569094021.db2.gz IJFJJABYDUAPLN-UHFFFAOYSA-N 0 0 410.539 4.709 50 0 HJAARN Cc1ccccc1OCc1nc(CN(C(=O)c2ccc3c(c2)OCO3)C(C)C)cs1 ZINC000036114820 569094037 /nfs/dbraw/zinc/09/40/37/569094037.db2.gz YKTFZNRMLWXPJF-UHFFFAOYSA-N 0 0 424.522 4.810 50 0 HJAARN O=C(Nc1ccc(F)cc1F)c1cnc2scc(-c3ccccc3Cl)n2c1=O ZINC000064787997 569094607 /nfs/dbraw/zinc/09/46/07/569094607.db2.gz QQUJFSLRYXATAS-UHFFFAOYSA-N 0 0 417.824 4.607 50 0 HJAARN CCOC(=O)c1c(NC(=S)NC2CCCCC2)sc2c1C[C@@](C)(CC)OC2 ZINC000006707064 569095308 /nfs/dbraw/zinc/09/53/08/569095308.db2.gz YKWRLARJBIHBJG-HXUWFJFHSA-N 0 0 410.605 4.785 50 0 HJAARN CCn1c(SCc2ccc(F)cc2F)nnc1-c1sc2ncccc2c1N ZINC000064794238 569096265 /nfs/dbraw/zinc/09/62/65/569096265.db2.gz PBGAQWCBJOERRW-UHFFFAOYSA-N 0 0 403.483 4.727 50 0 HJAARN CCc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)cc1 ZINC000064798327 569096698 /nfs/dbraw/zinc/09/66/98/569096698.db2.gz 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569251775 /nfs/dbraw/zinc/25/17/75/569251775.db2.gz MMFIOBJIDMJDNY-QHCPKHFHSA-N 0 0 418.474 4.606 50 0 HJAARN COc1ccc(NC2=NC(=O)SC2=Cc2cccc(Oc3ncccn3)c2)cc1 ZINC000071284550 569252097 /nfs/dbraw/zinc/25/20/97/569252097.db2.gz VZVLGUFNNSORRW-AQTBWJFISA-N 0 0 404.451 4.996 50 0 HJAARN Cc1ccc(NC(=O)c2ccccc2F)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000010027271 569252896 /nfs/dbraw/zinc/25/28/96/569252896.db2.gz JDVCBQLNVZUGDP-UHFFFAOYSA-N 0 0 418.877 4.841 50 0 HJAARN COc1ccc(C(=O)N2c3ncnn3[C@H](c3ccccc3)C[C@H]2c2ccc(C)cc2)cc1 ZINC000010059785 569252974 /nfs/dbraw/zinc/25/29/74/569252974.db2.gz YVWBZGLDWIYNMC-ZEQRLZLVSA-N 0 0 424.504 4.976 50 0 HJAARN COc1ccccc1[C@H]1C[C@H](c2ccc(C)cc2)N(C(=O)c2ccccc2)c2ncnn21 ZINC000010060416 569253221 /nfs/dbraw/zinc/25/32/21/569253221.db2.gz VTYRYLZGKFKOIT-DHIUTWEWSA-N 0 0 424.504 4.976 50 0 HJAARN COc1ccc(SCC(=O)Nc2nc3c(cccc3Br)s2)cc1 ZINC000010219235 569253780 /nfs/dbraw/zinc/25/37/80/569253780.db2.gz SDMTZOAHKOWJCQ-UHFFFAOYSA-N 0 0 409.330 4.798 50 0 HJAARN O=c1nc(SCc2ccc(C(F)(F)F)cc2)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000010255550 569254193 /nfs/dbraw/zinc/25/41/93/569254193.db2.gz GAUICXRBYBLAID-INIZCTEOSA-N 0 0 424.488 4.612 50 0 HJAARN O=C(Nc1cccc(Br)c1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000013324968 569254993 /nfs/dbraw/zinc/25/49/93/569254993.db2.gz JFOXWRXXUKWHKY-UHFFFAOYSA-N 0 0 414.756 4.514 50 0 HJAARN COc1ccc(NC(=O)Nc2c(C)nn(Cc3ccccc3Cl)c2C)c(OC)c1 ZINC000013331497 569255089 /nfs/dbraw/zinc/25/50/89/569255089.db2.gz PMNCOWBYLODDQZ-UHFFFAOYSA-N 0 0 414.893 4.863 50 0 HJAARN Cc1cccc(NC(=O)[C@@H](Sc2ncnc3[nH]cnc32)c2ccccc2)c1Cl ZINC000013572951 569255990 /nfs/dbraw/zinc/25/59/90/569255990.db2.gz QWEVGQDRKBYEAQ-KRWDZBQOSA-N 0 0 409.902 4.787 50 0 HJAARN Cc1ccc(NC(=O)COC(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)cc1 ZINC000013579005 569256368 /nfs/dbraw/zinc/25/63/68/569256368.db2.gz YSKPZLLHSYACDC-UHFFFAOYSA-N 0 0 419.506 4.599 50 0 HJAARN O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000014267877 569259261 /nfs/dbraw/zinc/25/92/61/569259261.db2.gz OCRNQWGEKIEUSX-UHFFFAOYSA-N 0 0 413.355 4.920 50 0 HJAARN COc1ccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2ccc(Cl)cc2)cc1 ZINC000014609896 569260772 /nfs/dbraw/zinc/26/07/72/569260772.db2.gz LNMFAFQTAUSLPB-UHFFFAOYSA-N 0 0 404.857 4.849 50 0 HJAARN COc1ccc(-c2ccc(NC(=O)c3sc(-c4ccccc4)nc3C)cc2)nn1 ZINC000007573298 569263816 /nfs/dbraw/zinc/26/38/16/569263816.db2.gz KKHDFAQZXPYQOT-UHFFFAOYSA-N 0 0 402.479 4.836 50 0 HJAARN Cc1ccc(NC(=O)c2ccccc2)c(NC(=O)CC[C@H]2COc3ccccc3O2)c1 ZINC000016856846 569266134 /nfs/dbraw/zinc/26/61/34/569266134.db2.gz BZTHLPWJEBAAJF-IBGZPJMESA-N 0 0 416.477 4.806 50 0 HJAARN Fc1ccc([C@H](CNc2cc(C(F)(F)F)nc3ccccc32)N2CCOCC2)cc1 ZINC000089866634 569267476 /nfs/dbraw/zinc/26/74/76/569267476.db2.gz JXKAXIYAJQERSL-FQEVSTJZSA-N 0 0 419.422 4.878 50 0 HJAARN C[C@]1(c2cccc(Cl)c2)NC(=O)N(Cc2cnoc2-c2ccc(Cl)cc2)C1=O ZINC000089917115 569268583 /nfs/dbraw/zinc/26/85/83/569268583.db2.gz CUPPLDFELCJMOI-HXUWFJFHSA-N 0 0 416.264 4.616 50 0 HJAARN COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc4ccccc4c3OC)C2)c(OC)c1 ZINC000089930405 569269020 /nfs/dbraw/zinc/26/90/20/569269020.db2.gz YUVOWZBQKTVWPP-JOCHJYFZSA-N 0 0 404.466 4.563 50 0 HJAARN CC[C@@H](NC(=O)c1cnc(-c2ccccc2)s1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000089941943 569269360 /nfs/dbraw/zinc/26/93/60/569269360.db2.gz WJKZLWVLLLYYAT-TZIWHRDSSA-N 0 0 417.538 4.508 50 0 HJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000016968841 569269476 /nfs/dbraw/zinc/26/94/76/569269476.db2.gz RCZQXUFQKQORPS-UHFFFAOYSA-N 0 0 410.901 4.782 50 0 HJAARN O=C(Nc1ccc(S[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1)C1CCCCC1 ZINC000017088045 569273984 /nfs/dbraw/zinc/27/39/84/569273984.db2.gz SMFDOCSDADSDIS-FQEVSTJZSA-N 0 0 408.523 4.630 50 0 HJAARN CC(C)c1ccc(NC(=O)Cc2csc(NC(=O)NC3CCCCC3)n2)cc1 ZINC000017113654 569274992 /nfs/dbraw/zinc/27/49/92/569274992.db2.gz LMRGABTUMGFRCM-UHFFFAOYSA-N 0 0 400.548 4.902 50 0 HJAARN O=C(NCc1c(-c2ccc(F)cc2)nc2n1CCS2)c1cccc(C(F)(F)F)c1 ZINC000017149901 569275734 /nfs/dbraw/zinc/27/57/34/569275734.db2.gz OQTNMOZWTZERKB-UHFFFAOYSA-N 0 0 421.419 4.744 50 0 HJAARN COc1cccc(-c2nc(COC(=O)c3ccc(-n4cccc4)cc3)cs2)c1OC ZINC000017183067 569276368 /nfs/dbraw/zinc/27/63/68/569276368.db2.gz JZKZVIOSBHARKW-UHFFFAOYSA-N 0 0 420.490 4.975 50 0 HJAARN CCCC(=O)Nc1ccccc1NC(=O)COc1ccc(C)cc1Br ZINC000001120948 569277368 /nfs/dbraw/zinc/27/73/68/569277368.db2.gz VOMBFFHUDOIRMF-UHFFFAOYSA-N 0 0 405.292 4.514 50 0 HJAARN CCCCNC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1cccc2ccccc21 ZINC000002819524 569278037 /nfs/dbraw/zinc/27/80/37/569278037.db2.gz FFBJCJXWOKPAIR-QJOMJCCJSA-N 0 0 402.494 4.536 50 0 HJAARN Cc1cc(OC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c2c(C)cc(=O)oc2c1 ZINC000002092214 569280414 /nfs/dbraw/zinc/28/04/14/569280414.db2.gz LUTWLQPXRMVMTL-NRFANRHFSA-N 0 0 423.465 4.581 50 0 biogenic HJAARN Nc1c2c(nn1-c1ccc(Cl)cc1)nc(NC1CC1)nc2-c1ccc(F)cc1F ZINC000037361077 569283574 /nfs/dbraw/zinc/28/35/74/569283574.db2.gz QOQRHHRLSUBSRD-UHFFFAOYSA-N 0 0 412.831 4.571 50 0 HJAARN CC1(C)c2ccccc2N2CC(=O)N[C@@]21/C=C/c1cccc(OCc2ccccc2)c1 ZINC000002108595 569283737 /nfs/dbraw/zinc/28/37/37/569283737.db2.gz LFEHVWYJDOESKN-VHRAYMLOSA-N 0 0 410.517 4.903 50 0 biogenic HJAARN CCCN(CCC)S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)ccc1Cl ZINC000025762006 569283785 /nfs/dbraw/zinc/28/37/85/569283785.db2.gz VVKIIULKTMCUSB-MRXNPFEDSA-N 0 0 422.978 4.642 50 0 HJAARN C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000252445433 569286091 /nfs/dbraw/zinc/28/60/91/569286091.db2.gz ZRBAGJVDJFTENS-JTSKRJEESA-N 0 0 402.494 4.775 50 0 HJAARN COc1ccc(CCN(C)c2cc(Oc3ccc(Cl)c(C)c3)ncn2)cc1OC ZINC000037376964 569288138 /nfs/dbraw/zinc/28/81/38/569288138.db2.gz DCCNTJCDYYHYDX-UHFFFAOYSA-N 0 0 413.905 4.927 50 0 HJAARN CC[C@@H](NC(=O)CSc1nc2cc(OC)ccc2[nH]1)C12CC3CC(CC(C3)C1)C2 ZINC000252479659 569288861 /nfs/dbraw/zinc/28/88/61/569288861.db2.gz BJKCESYSEYHAOV-FDBJDISXSA-N 0 0 413.587 4.775 50 0 HJAARN CSCC[C@@H](NC(=O)CCCc1cn(C)c2ccccc12)c1nc2ccccc2[nH]1 ZINC000252484874 569289191 /nfs/dbraw/zinc/28/91/91/569289191.db2.gz GJVPZLIQJZXNOI-OAQYLSRUSA-N 0 0 420.582 4.988 50 0 HJAARN Fc1ccc(N2CCN(c3cc(Oc4ccc(F)cc4Cl)ncn3)CC2)cc1 ZINC000037377689 569289274 /nfs/dbraw/zinc/28/92/74/569289274.db2.gz IZIXLYFIXLCFRQ-UHFFFAOYSA-N 0 0 402.832 4.527 50 0 HJAARN Cc1cc(OC(=O)CCCCCNC(=O)OC(C)(C)C)c2c(C)c(C)c(=O)oc2c1 ZINC000002149363 569289872 /nfs/dbraw/zinc/28/98/72/569289872.db2.gz FXKFISYMFMFRFW-UHFFFAOYSA-N 0 0 417.502 4.709 50 0 biogenic HJAARN COc1ccc(CCN(C)c2cc(Oc3ccc(F)cc3Cl)ncn2)cc1OC ZINC000037379071 569292009 /nfs/dbraw/zinc/29/20/09/569292009.db2.gz PGIAJLWPMCYTLA-UHFFFAOYSA-N 0 0 417.868 4.758 50 0 HJAARN CCOC(=O)c1sc(NC(=O)Cc2ccc(OCC)cc2)nc1-c1ccccc1 ZINC000007614690 569295659 /nfs/dbraw/zinc/29/56/59/569295659.db2.gz LXNCUHNOHKLKSJ-UHFFFAOYSA-N 0 0 410.495 4.567 50 0 HJAARN C[C@H](C(=O)NCc1ccccn1)n1c(Cc2cccc(Cl)c2)nc2ccccc21 ZINC000037396813 569296165 /nfs/dbraw/zinc/29/61/65/569296165.db2.gz KDPQWGNOGXHDNS-MRXNPFEDSA-N 0 0 404.901 4.553 50 0 HJAARN CCC[C@@H](C(=O)NCc1cccnc1)n1c(Cc2ccccc2F)nc2ccccc21 ZINC000037397095 569296323 /nfs/dbraw/zinc/29/63/23/569296323.db2.gz RNOKHGLLEQGWOA-QHCPKHFHSA-N 0 0 416.500 4.819 50 0 HJAARN COc1ccc(CCNC(=O)c2c(C)c(C)c(C)n2Cc2ccc(F)cc2)cc1OC ZINC000037397287 569296465 /nfs/dbraw/zinc/29/64/65/569296465.db2.gz KRJXXIUMHXJSQL-UHFFFAOYSA-N 0 0 424.516 4.590 50 0 HJAARN COc1ccc(-n2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)cc1 ZINC000002207070 569296764 /nfs/dbraw/zinc/29/67/64/569296764.db2.gz UUVBNNOSSYQPNX-UHFFFAOYSA-N 0 0 416.481 4.654 50 0 HJAARN CC1=C(C(=O)N(C)C)[C@H](c2ccccc2C(F)(F)F)NC(=S)N1c1ccccc1 ZINC000007621828 569297571 /nfs/dbraw/zinc/29/75/71/569297571.db2.gz RLUDASXXFWABCT-SFHVURJKSA-N 0 0 419.472 4.503 50 0 HJAARN C[C@@H](c1ccccc1)n1c(=O)c2ccccc2nc1SCC(=O)c1ccc(O)cc1 ZINC000007628548 569297752 /nfs/dbraw/zinc/29/77/52/569297752.db2.gz UIUDCILVKAADGW-INIZCTEOSA-N 0 0 416.502 4.686 50 0 HJAARN CC(=O)N[C@@H](C)CCc1ccc(-c2csc(CC(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000007643320 569298281 /nfs/dbraw/zinc/29/82/81/569298281.db2.gz BDRTZIFIHOSEJR-KRWDZBQOSA-N 0 0 421.566 4.757 50 0 HJAARN Cc1cccc(OCCN(C)Cc2csc(CC(=O)Nc3cc(C)ccc3C)n2)c1 ZINC000015100467 569298295 /nfs/dbraw/zinc/29/82/95/569298295.db2.gz PDGMUUUYUNLKML-UHFFFAOYSA-N 0 0 423.582 4.760 50 0 HJAARN O=C(c1ccccc1F)N(Cc1ccccc1F)C[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000037441112 569299593 /nfs/dbraw/zinc/29/95/93/569299593.db2.gz CARQOCJGRCRQQE-IBGZPJMESA-N 0 0 424.422 4.940 50 0 HJAARN CCNC(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037442314 569299775 /nfs/dbraw/zinc/29/97/75/569299775.db2.gz MFVKAMAXOVXOQK-SFHVURJKSA-N 0 0 423.410 4.569 50 0 HJAARN CCOc1cc(C(=O)Nc2ccnn2Cc2ccc(C)cc2)cc(OCC)c1OCC ZINC000007696844 569301154 /nfs/dbraw/zinc/30/11/54/569301154.db2.gz FNPAWXSCCQFQCU-UHFFFAOYSA-N 0 0 423.513 4.688 50 0 HJAARN O=S(=O)(N[C@@H](c1cccs1)c1ccccc1)c1cccc(Br)c1 ZINC000007702146 569301322 /nfs/dbraw/zinc/30/13/22/569301322.db2.gz DJSOAQBSHCJBRN-QGZVFWFLSA-N 0 0 408.342 4.579 50 0 HJAARN O=C(/C=C\c1ccco1)Oc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CCCC4)cc1 ZINC000037492624 569301369 /nfs/dbraw/zinc/30/13/69/569301369.db2.gz RBOJZLMNCHZAIX-AXUYNXDZSA-N 0 0 420.490 4.693 50 0 HJAARN C[C@H]1C(=O)N(c2ccc(F)c(Cl)c2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000037520318 569302860 /nfs/dbraw/zinc/30/28/60/569302860.db2.gz XEJFXHNNDODSJH-JTQLQIEISA-N 0 0 415.679 4.663 50 0 HJAARN C[C@@H]1C(=O)N(c2ccccc2-c2ccccc2)CCN1C(=O)c1cccc(Cl)c1 ZINC000037520943 569302932 /nfs/dbraw/zinc/30/29/32/569302932.db2.gz VJCKNBKSNBHVPG-QGZVFWFLSA-N 0 0 404.897 4.885 50 0 HJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(C3CC3)n2Cc2ccccc2)c1C ZINC000007729430 569303501 /nfs/dbraw/zinc/30/35/01/569303501.db2.gz MCCNGIPWFDWHPI-MRXNPFEDSA-N 0 0 422.554 4.715 50 0 HJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3sc(C)cc3n2Cc2cccc(C)c2)C1 ZINC000037541384 569304929 /nfs/dbraw/zinc/30/49/29/569304929.db2.gz HKDPCARAFRPRDF-LJQANCHMSA-N 0 0 424.566 4.783 50 0 HJAARN Cc1noc(C)c1CSCC(=O)Nc1ccc2c(c1)nc(C)n2-c1ccccc1 ZINC000007738405 569305136 /nfs/dbraw/zinc/30/51/36/569305136.db2.gz UXBNLHALECEIJQ-UHFFFAOYSA-N 0 0 406.511 4.811 50 0 HJAARN CCCNC(=O)c1cc2sc(Br)cc2n1CCOc1ccccc1 ZINC000037542400 569305184 /nfs/dbraw/zinc/30/51/84/569305184.db2.gz GSBWQPXKXLGAIG-UHFFFAOYSA-N 0 0 407.333 4.684 50 0 HJAARN CCCn1c(C(=O)NCCc2ccccc2OC)cc2scc(Br)c21 ZINC000037543800 569305338 /nfs/dbraw/zinc/30/53/38/569305338.db2.gz MEUGFQZXVOBTDA-UHFFFAOYSA-N 0 0 421.360 4.856 50 0 HJAARN CCN(C)C(=O)CCc1c(C)nn(-c2cccc(C)c2)c1Oc1ccc(F)cc1F ZINC000037547243 569305795 /nfs/dbraw/zinc/30/57/95/569305795.db2.gz UXBMLSWJEHYGAJ-UHFFFAOYSA-N 0 0 413.468 4.971 50 0 HJAARN CC(C)NC(=O)Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2cccc(F)c2)cc1 ZINC000037555113 569306317 /nfs/dbraw/zinc/30/63/17/569306317.db2.gz JHCWBFKZSHWYHU-UHFFFAOYSA-N 0 0 422.475 4.879 50 0 HJAARN Cc1cccc(CN(C(=O)c2cccs2)c2ccc(CC(=O)NC(C)C)cc2)c1 ZINC000037556266 569306380 /nfs/dbraw/zinc/30/63/80/569306380.db2.gz UCPPFXOSCDVBGC-UHFFFAOYSA-N 0 0 406.551 4.971 50 0 HJAARN CCC[C@H](NC(=O)COc1ccccc1C(=O)Nc1ccccc1)c1ccccc1 ZINC000007777479 569308721 /nfs/dbraw/zinc/30/87/21/569308721.db2.gz MPPYNYYZFKWOLL-QFIPXVFZSA-N 0 0 402.494 4.975 50 0 HJAARN Cc1ccc(C)c(Sc2ncccc2C(=O)Nc2ccnn2Cc2ccncc2)c1 ZINC000007778842 569309201 /nfs/dbraw/zinc/30/92/01/569309201.db2.gz OKLZGZKVYCZQIC-UHFFFAOYSA-N 0 0 415.522 4.742 50 0 HJAARN Cc1ccc(-c2cc(NC(=O)COC(=O)c3ccccc3)n(-c3ccccc3)n2)cc1 ZINC000007779792 569309452 /nfs/dbraw/zinc/30/94/52/569309452.db2.gz FUSHEGCOVHJISF-UHFFFAOYSA-N 0 0 411.461 4.643 50 0 HJAARN O=C([C@@H]1CC(=O)N(c2ccccc2Cl)C1)N(Cc1ccco1)Cc1cccs1 ZINC000007780207 569309561 /nfs/dbraw/zinc/30/95/61/569309561.db2.gz ZGIKYEYZEBRCTJ-OAHLLOKOSA-N 0 0 414.914 4.576 50 0 HJAARN COc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3OC)n2)c(OC)c1 ZINC000007814281 569312666 /nfs/dbraw/zinc/31/26/66/569312666.db2.gz WXMMSQQSWOXGSP-UHFFFAOYSA-N 0 0 404.875 4.742 50 0 HJAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000007823962 569313175 /nfs/dbraw/zinc/31/31/75/569313175.db2.gz AIYZWQMQPSOIDO-UHFFFAOYSA-N 0 0 405.542 4.541 50 0 HJAARN COc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)o2)cc1 ZINC000007826955 569313442 /nfs/dbraw/zinc/31/34/42/569313442.db2.gz BSXZELQJRKIQAX-OAHLLOKOSA-N 0 0 423.538 4.594 50 0 HJAARN C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1ccccc1F ZINC000007843609 569314099 /nfs/dbraw/zinc/31/40/99/569314099.db2.gz UMWIBMVOVLXOQP-LBPRGKRZSA-N 0 0 402.520 4.524 50 0 HJAARN CCOC(=O)c1cccc(-n2c3nc4ccccc4nc3nc2-c2ccc(OC)cc2)c1 ZINC000002225689 569314931 /nfs/dbraw/zinc/31/49/31/569314931.db2.gz JFGDLUYTSBETBR-UHFFFAOYSA-N 0 0 424.460 4.821 50 0 HJAARN CC[C@]1(C)Cc2c(sc3nc(SCC(=O)c4ccc(F)cc4)nc(N)c32)CO1 ZINC000002228771 569317351 /nfs/dbraw/zinc/31/73/51/569317351.db2.gz LYNPVOQNIXQQPJ-HXUWFJFHSA-N 0 0 417.531 4.629 50 0 HJAARN Cc1cc2nc3sc(=Cc4ccc(-c5ccc(F)cc5F)o4)c(=O)n3c2cc1C ZINC000252666040 569319062 /nfs/dbraw/zinc/31/90/62/569319062.db2.gz AHQBYPGALDUWLT-UHFFFAOYSA-N 0 0 408.429 4.612 50 0 HJAARN Oc1cc2ccccc2cc1-c1nc2c3cnn(-c4ccc(Cl)cc4)c3ncn2n1 ZINC000002236728 569321923 /nfs/dbraw/zinc/32/19/23/569321923.db2.gz GUQJULQOWLLOBU-UHFFFAOYSA-N 0 0 412.840 4.642 50 0 HJAARN CCOC(=O)COc1ccc2c(c1)occ(Oc1cc(C)c(Cl)c(C)c1)c2=O ZINC000000950715 569321956 /nfs/dbraw/zinc/32/19/56/569321956.db2.gz RXTSOJDAMYMXKI-UHFFFAOYSA-N 0 0 402.830 4.797 50 0 HJAARN COc1cccc(Cn2cc3c(-c4ccccc4)nnc-3c3cc4c(cc32)OCO4)c1 ZINC000002689799 569322175 /nfs/dbraw/zinc/32/21/75/569322175.db2.gz XDRFRUSYGNHNGS-UHFFFAOYSA-N 0 0 409.445 4.989 50 0 HJAARN CCOc1ccc(-n2ccnc2SCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000002723229 569322379 /nfs/dbraw/zinc/32/23/79/569322379.db2.gz SIJCJTHUBDAUOO-UHFFFAOYSA-N 0 0 401.919 4.964 50 0 HJAARN COCCNC(=S)N(CCc1c(C)[nH]c2ccc(C)cc21)Cc1ccc(C)cc1 ZINC000002722380 569322421 /nfs/dbraw/zinc/32/24/21/569322421.db2.gz YGXGOSGMTFSLRP-UHFFFAOYSA-N 0 0 409.599 4.659 50 0 HJAARN Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1C1CCCCC1 ZINC000002239818 569322616 /nfs/dbraw/zinc/32/26/16/569322616.db2.gz KKSFAGVHCKDMFT-UHFFFAOYSA-N 0 0 406.511 4.505 50 0 HJAARN COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000002246684 569324246 /nfs/dbraw/zinc/32/42/46/569324246.db2.gz JGZJKYRMJYBJCL-IBGZPJMESA-N 0 0 418.474 4.625 50 0 HJAARN Fc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2F)cc1 ZINC000002247188 569324365 /nfs/dbraw/zinc/32/43/65/569324365.db2.gz SBXYGTTZCWHMPV-XZOQPEGZSA-N 0 0 414.415 4.769 50 0 HJAARN Cc1ccc(NC(=O)c2c(N)n(Cc3ccco3)c3nc4ccccc4nc32)cc1C ZINC000002253130 569324799 /nfs/dbraw/zinc/32/47/99/569324799.db2.gz NCYBHWYUYRAVNL-UHFFFAOYSA-N 0 0 411.465 4.677 50 0 HJAARN Cc1ccc(NC(=O)CSc2nccn2-c2ccccc2)c(Br)c1 ZINC000027485756 569324972 /nfs/dbraw/zinc/32/49/72/569324972.db2.gz ZGAXHSYXUWLVGD-UHFFFAOYSA-N 0 0 402.317 4.674 50 0 HJAARN CC[C@H](C)NC(=O)c1c(N)n(-c2ccc(C(C)C)cc2)c2nc3ccccc3nc12 ZINC000002264142 569325585 /nfs/dbraw/zinc/32/55/85/569325585.db2.gz VNRHASMMRTWZCE-HNNXBMFYSA-N 0 0 401.514 4.808 50 0 HJAARN CCOc1ccc([C@@H]2Oc3ccccc3C3=Nc4ncnn4[C@@H](c4ccccc4)C32)cc1 ZINC000002267687 569325881 /nfs/dbraw/zinc/32/58/81/569325881.db2.gz COKQPBUCEUGRFT-DQEYMECFSA-N 0 0 422.488 4.890 50 0 HJAARN O=C(Nc1ccc(Cl)cn1)NC(Oc1ccccc1)(C(F)(F)F)C(F)(F)F ZINC000002268440 569325986 /nfs/dbraw/zinc/32/59/86/569325986.db2.gz VERHSUSVDPLCKH-UHFFFAOYSA-N 0 0 413.705 4.756 50 0 HJAARN C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccc(Br)cc1 ZINC000007921979 569327130 /nfs/dbraw/zinc/32/71/30/569327130.db2.gz SZWBRZRYTIMVGQ-GFCCVEGCSA-N 0 0 404.333 4.690 50 0 HJAARN COC(=O)[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC(=O)[C@]21C ZINC000257347516 569363859 /nfs/dbraw/zinc/36/38/59/569363859.db2.gz KCWRJZPEFSQWMV-VBAORCOUSA-N 0 0 418.574 4.565 50 0 HJAARN O=C(C=Cc1cccc(Cl)c1)Nn1c(=O)c2ccccc2nc1-c1ccccc1F ZINC000027528472 569364378 /nfs/dbraw/zinc/36/43/78/569364378.db2.gz HSCZJIBPNMVEMM-OUKQBFOZSA-N 0 0 419.843 4.640 50 0 HJAARN Cc1cc(OC(=O)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C)c2c(C)cc(=O)oc2c1 ZINC000253369935 569364537 /nfs/dbraw/zinc/36/45/37/569364537.db2.gz KBXUOODGJMNSFG-MRXNPFEDSA-N 0 0 417.502 4.645 50 0 HJAARN COc1ccc(-c2nc3ccccc3c(=O)n2NCc2ccc(SC)cc2)cc1 ZINC000027531474 569366848 /nfs/dbraw/zinc/36/68/48/569366848.db2.gz IQMILKOOPRFRQK-UHFFFAOYSA-N 0 0 403.507 4.538 50 0 HJAARN O=c1c2ccccc2nc(-c2ccc(Br)cc2)n1NCc1ccc(F)cc1 ZINC000027531424 569366917 /nfs/dbraw/zinc/36/69/17/569366917.db2.gz DCMMBJWSFLFAAL-UHFFFAOYSA-N 0 0 424.273 4.709 50 0 HJAARN CCc1ccccc1OCCn1c(=O)c2ccccc2nc1-c1ccc(OC)cc1 ZINC000002337922 569376156 /nfs/dbraw/zinc/37/61/56/569376156.db2.gz GDRGJPSVWMKFJN-UHFFFAOYSA-N 0 0 400.478 4.714 50 0 HJAARN CC[C@H](C(=O)Nc1c2cc(Br)ccc2[nH]c1C(=O)OC)c1ccccc1 ZINC000002339673 569376172 /nfs/dbraw/zinc/37/61/72/569376172.db2.gz BJNJVSNXSFZWLU-AWEZNQCLSA-N 0 0 415.287 4.849 50 0 HJAARN COc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccccc4OC)sc3n2)cc1 ZINC000002343930 569376517 /nfs/dbraw/zinc/37/65/17/569376517.db2.gz XMKQUZNWVKPDOX-UHFFFAOYSA-N 0 0 405.479 4.815 50 0 HJAARN CCOC(=O)c1c(C=O)n(C)c2cc(Br)c(OCc3ccccc3)cc21 ZINC000230551349 569383812 /nfs/dbraw/zinc/38/38/12/569383812.db2.gz VOWOQXLGDYRFAK-UHFFFAOYSA-N 0 0 416.271 4.509 50 0 HJAARN O=C(CC1(n2cccc2)CCSCC1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000252503367 569387785 /nfs/dbraw/zinc/38/77/85/569387785.db2.gz VCTJBQVLVWTLFV-FQEVSTJZSA-N 0 0 408.571 4.731 50 0 HJAARN CCCCCCn1c(N)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000002371102 569388840 /nfs/dbraw/zinc/38/88/40/569388840.db2.gz VHXDHUPYYZNIIW-UHFFFAOYSA-N 0 0 422.554 4.888 50 0 HJAARN O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1cccc(-c2nc[nH]n2)c1 ZINC000253404307 569388960 /nfs/dbraw/zinc/38/89/60/569388960.db2.gz HTMCTACINLYDJY-SFHVURJKSA-N 0 0 405.889 4.739 50 0 HJAARN COc1ccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCC4)cc1 ZINC000002374055 569389271 /nfs/dbraw/zinc/38/92/71/569389271.db2.gz ZFJJZQQSQMFPGZ-UHFFFAOYSA-N 0 0 405.479 4.888 50 0 HJAARN CC(C)Sc1nnc([C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)o1 ZINC000002391979 569394064 /nfs/dbraw/zinc/39/40/64/569394064.db2.gz YBOIOOGZDRFKRI-INIZCTEOSA-N 0 0 402.520 4.860 50 0 HJAARN CCCc1nc2sc3c(nc(SC)nc3NC[C@@H]3CCCO3)c2c2c1CCC2 ZINC000002399619 569394794 /nfs/dbraw/zinc/39/47/94/569394794.db2.gz AJFGMWSLCWFFMR-LBPRGKRZSA-N 0 0 414.600 4.994 50 0 HJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)C)cc1)N(C[C@@H]1CCCO1)C3=O ZINC000002401848 569395516 /nfs/dbraw/zinc/39/55/16/569395516.db2.gz MAWUZNWSDVGOLX-CVDCTZTESA-N 0 0 417.505 4.949 50 0 HJAARN O=C(Nc1ncc2c(n1)C[C@@H](c1ccc(Cl)cc1)CC2=O)c1cccc(Cl)c1 ZINC000002409662 569396491 /nfs/dbraw/zinc/39/64/91/569396491.db2.gz GPLKFZBMJHJZKA-CQSZACIVSA-N 0 0 412.276 4.948 50 0 HJAARN Cc1cc(-c2csc(C)n2)c(C)n1CC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000055255041 569396773 /nfs/dbraw/zinc/39/67/73/569396773.db2.gz YOMZCGFFIRNIQI-UHFFFAOYSA-N 0 0 419.554 4.978 50 0 HJAARN CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2ccccc2COc2ccccc2)cc1 ZINC000010852259 569397430 /nfs/dbraw/zinc/39/74/30/569397430.db2.gz YJDWVMOTQHXABZ-KRWDZBQOSA-N 0 0 417.461 4.652 50 0 HJAARN Cc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(Cl)cc2)s1 ZINC000002423452 569398304 /nfs/dbraw/zinc/39/83/04/569398304.db2.gz KGWBPQSDWSLLJY-QGZVFWFLSA-N 0 0 423.881 4.665 50 0 HJAARN Cc1c2ccccc2oc1C(=O)Nc1nnc(SCC(=O)c2ccccc2)s1 ZINC000002429091 569398797 /nfs/dbraw/zinc/39/87/97/569398797.db2.gz LENJGHNICWOCLN-UHFFFAOYSA-N 0 0 409.492 4.820 50 0 HJAARN COc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)c1 ZINC000002436589 569399762 /nfs/dbraw/zinc/39/97/62/569399762.db2.gz IVPOVJLAGGNUET-FQEVSTJZSA-N 0 0 418.836 4.600 50 0 HJAARN COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)c1 ZINC000002436590 569399764 /nfs/dbraw/zinc/39/97/64/569399764.db2.gz IVPOVJLAGGNUET-HXUWFJFHSA-N 0 0 418.836 4.600 50 0 HJAARN C[C@@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000027873395 569400565 /nfs/dbraw/zinc/40/05/65/569400565.db2.gz LZGJTEMWSDYURM-IERDGZPVSA-N 0 0 409.917 4.549 50 0 HJAARN COc1cccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@]32CCOC(C)(C)C2)c1 ZINC000012660808 569402567 /nfs/dbraw/zinc/40/25/67/569402567.db2.gz UFIMLKDNTIHZMN-HYBUGGRVSA-N 0 0 408.498 4.533 50 0 biogenic HJAARN CCCCC1CCC(C(=O)OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000012819006 569403889 /nfs/dbraw/zinc/40/38/89/569403889.db2.gz QTJQDSPFFKOPFL-UHFFFAOYSA-N 0 0 411.546 4.967 50 0 HJAARN C[C@H]1Oc2ccc(NC(=O)/C=C/c3cc(C(F)(F)F)ccc3Cl)cc2NC1=O ZINC000012854926 569404132 /nfs/dbraw/zinc/40/41/32/569404132.db2.gz NTONTSMWWZRLQL-CYZOPGGISA-N 0 0 410.779 4.730 50 0 HJAARN CCOc1ccc(/C=C(\Cl)c2nnc(C(=O)NCc3ccc(C)cc3)s2)cc1 ZINC000012924296 569405030 /nfs/dbraw/zinc/40/50/30/569405030.db2.gz JAWGAGCLFKUSDS-PDGQHHTCSA-N 0 0 413.930 4.912 50 0 HJAARN O=C1NC(=O)C(=Cc2c(OCc3cnc(Cl)s3)ccc3ccccc32)S1 ZINC000012961301 569405432 /nfs/dbraw/zinc/40/54/32/569405432.db2.gz OCOFXBGUNNZUET-CHHVJCJISA-N 0 0 402.884 4.853 50 0 HJAARN CCCCCn1c(CCCNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21 ZINC000013030816 569407493 /nfs/dbraw/zinc/40/74/93/569407493.db2.gz STWAPCVPUPRWJJ-UHFFFAOYSA-N 0 0 409.530 4.606 50 0 HJAARN Cc1ccc(OCc2nc3ccccc3n2CC(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000013040987 569407917 /nfs/dbraw/zinc/40/79/17/569407917.db2.gz IBDBDHDHROATPV-UHFFFAOYSA-N 0 0 407.420 4.841 50 0 HJAARN COC(=O)c1cccc(NC(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)c1 ZINC000013348186 569410863 /nfs/dbraw/zinc/41/08/63/569410863.db2.gz WFAQEUUGOJAGRG-UHFFFAOYSA-N 0 0 414.465 4.779 50 0 HJAARN O=C(Nc1ccccc1)Nc1ccc(SCc2nc3ccccc3[nH]c2=O)cc1 ZINC000013361119 569411824 /nfs/dbraw/zinc/41/18/24/569411824.db2.gz ZHINWFUQOSONSF-UHFFFAOYSA-N 0 0 402.479 4.859 50 0 HJAARN COC(=O)c1ccccc1NC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000013368926 569412605 /nfs/dbraw/zinc/41/26/05/569412605.db2.gz CIYUXKYVECALPJ-UHFFFAOYSA-N 0 0 419.868 4.782 50 0 HJAARN CCc1nc2n(n1)C1(CCCCC1)[C@@H]1CCCC[C@@H]1N2C(=O)c1ccccc1OC ZINC000013370007 569412739 /nfs/dbraw/zinc/41/27/39/569412739.db2.gz OIEKYINIWNWNLI-MOPGFXCFSA-N 0 0 408.546 4.728 50 0 biogenic HJAARN C[C@@H](NC(=O)c1ccccc1NCc1cccnc1)c1cccc(Br)c1 ZINC000078995476 569423201 /nfs/dbraw/zinc/42/32/01/569423201.db2.gz XCJPBZHDFTXTCV-OAHLLOKOSA-N 0 0 410.315 4.947 50 0 HJAARN COc1nc(N2CCC[C@@H]2c2cccs2)nc(N2CCC[C@@H]2c2cccs2)n1 ZINC000078998637 569423393 /nfs/dbraw/zinc/42/33/93/569423393.db2.gz KBRXTAJMGGQRHL-HUUCEWRRSA-N 0 0 413.572 4.686 50 0 HJAARN C[C@@H]1CN(Cc2nc(-c3ccco3)no2)c2ccccc2N(Cc2ccccc2)C1=O ZINC000079024513 569424777 /nfs/dbraw/zinc/42/47/77/569424777.db2.gz IZKKMDWFEITRAE-QGZVFWFLSA-N 0 0 414.465 4.519 50 0 HJAARN Clc1ccc2[nH]c([C@H]3CCCN3c3nc(-c4ccncc4)nc4c3CCC4)nc2c1 ZINC000079061767 569426343 /nfs/dbraw/zinc/42/63/43/569426343.db2.gz HDYRJUVNFVRXED-HXUWFJFHSA-N 0 0 416.916 4.899 50 0 HJAARN Cn1cc(CCC(=O)Nc2cc(C(F)(F)F)ccc2NCc2ccccc2)cn1 ZINC000079096656 569427270 /nfs/dbraw/zinc/42/72/70/569427270.db2.gz LINPJPNJANCOAO-UHFFFAOYSA-N 0 0 402.420 4.622 50 0 HJAARN Cn1ncc(Cl)c1-c1nnc2sc(-c3cc(C(F)(F)F)ccc3Cl)nn21 ZINC000079474618 569431380 /nfs/dbraw/zinc/43/13/80/569431380.db2.gz ZZKIRYRPLMUMTD-UHFFFAOYSA-N 0 0 419.219 4.579 50 0 HJAARN 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50 0 HJAARN Cc1ccc(-c2nnc(SCCOc3ccc(Br)cc3)n2C)cc1 ZINC000010263968 571298710 /nfs/dbraw/zinc/29/87/10/571298710.db2.gz CNLOAZMTCQWUMW-UHFFFAOYSA-N 0 0 404.333 4.724 50 0 HJAARN Cc1c(C(=O)OC(C)C)c2cc(OC(=O)c3ccco3)ccc2n1C(=O)c1ccco1 ZINC000010272065 571298868 /nfs/dbraw/zinc/29/88/68/571298868.db2.gz PJRJYPJJXBIOFY-UHFFFAOYSA-N 0 0 421.405 4.609 50 0 HJAARN Cc1cc2sc(N(CCCn3ccnc3)C(=O)c3ccc(F)cc3)nc2c(C)c1 ZINC000010381597 571301626 /nfs/dbraw/zinc/30/16/26/571301626.db2.gz KNLFYISBQWPHBK-UHFFFAOYSA-N 0 0 408.502 4.986 50 0 HJAARN O=C(Cc1csc(-c2cccc(Oc3ccccc3)c2)n1)OCC(=O)c1ccc[nH]1 ZINC000010418932 571302172 /nfs/dbraw/zinc/30/21/72/571302172.db2.gz OWYAMRRZJBAEFF-UHFFFAOYSA-N 0 0 418.474 4.899 50 0 HJAARN CC[C@H](NC(=O)Cn1c(=S)[nH]nc1-c1cccc(C)c1)c1ccc(Cl)cc1 ZINC000010423524 571302292 /nfs/dbraw/zinc/30/22/92/571302292.db2.gz ITEMXKUWTXIOGA-KRWDZBQOSA-N 0 0 400.935 4.837 50 0 HJAARN O=C(c1ccc2ncsc2c1)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 ZINC000077177421 571311777 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Cc1cc(C)cc(N2C3=C(C(=O)OC3)[C@H](c3ccc(C(F)(F)F)cc3)CC2=O)c1 ZINC000001429592 132245950 /nfs/dbraw/zinc/24/59/50/132245950.db2.gz ZEFYQWVIHSTVQZ-KRWDZBQOSA-N 0 0 401.384 4.654 50 0 HJAARN CCOc1ccc(N2C(=O)N(Cc3ccccc3C)c3ccccc3S2(=O)=O)cc1 ZINC000002716102 132257116 /nfs/dbraw/zinc/25/71/16/132257116.db2.gz SCKBRYXIJBGZRV-UHFFFAOYSA-N 0 0 422.506 4.729 50 0 HJAARN Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cc(C(C)C)ccc2C)CC1 ZINC000002846374 132258326 /nfs/dbraw/zinc/25/83/26/132258326.db2.gz CXGUHQBSJNFOLO-UHFFFAOYSA-N 0 0 406.979 4.591 50 0 HJAARN CCOC(=O)c1cc(-c2ccc(Cl)cc2)[nH]c1N1CCN(c2ccccc2)CC1 ZINC000003108071 132262823 /nfs/dbraw/zinc/26/28/23/132262823.db2.gz YAPDRLINWHUGSW-UHFFFAOYSA-N 0 0 409.917 4.838 50 0 HJAARN O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003445107 132266214 /nfs/dbraw/zinc/26/62/14/132266214.db2.gz RIBMWMJTLVJBIR-UHFFFAOYSA-N 0 0 418.337 4.813 50 0 HJAARN Cc1ccc(CN2C(=O)CSc3ccc(C(=O)N[C@H]4CCCC[C@H]4C)cc32)cc1 ZINC000003638521 132267270 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C[C@H](Cc1nnc(SCC(=O)N[C@H]2CCCc3ccccc32)o1)c1ccccc1 ZINC000032957349 524767914 /nfs/dbraw/zinc/76/79/14/524767914.db2.gz LYNTZLZLYNNSRN-UZLBHIALSA-N 0 0 407.539 4.702 50 0 HJAARN CC(=O)c1cc(F)c(N2CCN(C(=O)c3c(F)c(F)cc(C)c3Cl)CC2)cc1C ZINC000001205559 534819394 /nfs/dbraw/zinc/81/93/94/534819394.db2.gz SVJMUSSCEIAAPQ-UHFFFAOYSA-N 0 0 424.850 4.539 50 0 HJAARN Cc1cc(F)ccc1NC(=O)CSc1nnc(Cc2ccccc2)n1CC(C)C ZINC000032579569 524988922 /nfs/dbraw/zinc/98/89/22/524988922.db2.gz AVWRAJFFOLDDIR-UHFFFAOYSA-N 0 0 412.534 4.703 50 0 HJAARN Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000045651156 525012880 /nfs/dbraw/zinc/01/28/80/525012880.db2.gz YLEIURAAPGUILU-UHFFFAOYSA-N 0 0 420.476 4.681 50 0 HJAARN COc1ccc([C@@H](C)NC(=O)c2cc(-c3cccc4ccccc43)n[nH]2)cc1OC ZINC000044839336 525140864 /nfs/dbraw/zinc/14/08/64/525140864.db2.gz KGLJOWXYRCERGI-OAHLLOKOSA-N 0 0 401.466 4.738 50 0 HJAARN C[C@]1(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)Cc2ccccc2C(=O)O1 ZINC000032675436 525208203 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O=C(C[S@](=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1)NCc1ccc(F)cc1 ZINC000032801035 527192551 /nfs/dbraw/zinc/19/25/51/527192551.db2.gz UYZGGJSJAMDCIY-RBISFHTESA-N 0 0 415.917 4.634 50 0 HJAARN O=C(Nc1ccc(F)cc1)N[C@@H](Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000032948905 527201589 /nfs/dbraw/zinc/20/15/89/527201589.db2.gz ZDUISWXTAMUMTI-FQEVSTJZSA-N 0 0 410.420 4.669 50 0 HJAARN O=C(Nc1ccc(F)cc1F)c1ccccc1OCc1nc(-c2ccccc2)no1 ZINC000032578529 527212827 /nfs/dbraw/zinc/21/28/27/527212827.db2.gz MVPQBPRYDIGUNC-UHFFFAOYSA-N 0 0 407.376 4.846 50 0 HJAARN O=S(=O)(c1ccc(F)cc1)N(Cc1cc(F)cc2cccnc21)c1ccccc1 ZINC000031606983 527274751 /nfs/dbraw/zinc/27/47/51/527274751.db2.gz GVSCDUCUQHDVIE-UHFFFAOYSA-N 0 0 410.445 4.909 50 0 HJAARN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccc(OC[C@H]2CCCO2)c1 ZINC000032903178 527282863 /nfs/dbraw/zinc/28/28/63/527282863.db2.gz UJIRGJIFFVOYAS-HXUWFJFHSA-N 0 0 409.482 4.928 50 0 HJAARN O=C(Cc1coc2cc3c(cc12)CCC3)Nc1cccc(NC(=O)c2ccncc2)c1 ZINC000031965999 527332840 /nfs/dbraw/zinc/33/28/40/527332840.db2.gz WSPDRWGQWPNPBI-UHFFFAOYSA-N 0 0 411.461 4.750 50 0 HJAARN O=C(Nc1ccccc1C(F)(F)F)[C@H]1CC(=O)Nc2c(-c3ccccc3)cnn21 ZINC000032093710 527411945 /nfs/dbraw/zinc/41/19/45/527411945.db2.gz HFXZUDUYMCPHJV-MRXNPFEDSA-N 0 0 400.360 4.740 50 0 HJAARN O=c1[nH]c(SCc2ccc(F)cc2)nc2c1sc(=S)n2-c1ccccc1 ZINC000032948515 527441856 /nfs/dbraw/zinc/44/18/56/527441856.db2.gz CUCQNUAMUYMZPI-UHFFFAOYSA-N 0 0 401.513 4.936 50 0 HJAARN O=c1oc2ccccc2c(NCC2CCCCC2)c1NS(=O)(=O)c1ccccc1 ZINC000045961088 527499072 /nfs/dbraw/zinc/49/90/72/527499072.db2.gz HQYAJYHIQDLFEW-UHFFFAOYSA-N 0 0 412.511 4.586 50 0 HJAARN O=C(Nc1ncc(Cc2ccccc2Br)s1)c1ccc2[nH]cnc2c1 ZINC000012525244 527520699 /nfs/dbraw/zinc/52/06/99/527520699.db2.gz FVXRZAZDPGLKKB-UHFFFAOYSA-N 0 0 413.300 4.625 50 0 HJAARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1cccc(OCC(C)C)c1)CC(=O)N2 ZINC000032072316 527527569 /nfs/dbraw/zinc/52/75/69/527527569.db2.gz GQPPZEYJFYIHAY-INIZCTEOSA-N 0 0 411.893 4.783 50 0 HJAARN 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/nfs/dbraw/zinc/47/49/05/535474905.db2.gz AUYJQNRBBYBLGY-HSZRJFAPSA-N 0 0 404.466 4.874 50 0 HJAARN CCN(Cc1ccccc1)C(=O)C1CCN(c2ncnc3c4ccccc4oc32)CC1 ZINC000033290437 535787410 /nfs/dbraw/zinc/78/74/10/535787410.db2.gz ZVSFMGVBHGNYSG-UHFFFAOYSA-N 0 0 414.509 4.641 50 0 HJAARN CCc1ccccc1N1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NCCC(C)C ZINC000021858432 535941068 /nfs/dbraw/zinc/94/10/68/535941068.db2.gz BBMAFADUQYRKLL-SANMLTNESA-N 0 0 417.553 4.785 50 0 HJAARN COc1cc(/C=C/C(=O)Nc2ccc(N3CCCCC3)cc2)ccc1OC(F)F ZINC000003297362 536874640 /nfs/dbraw/zinc/87/46/40/536874640.db2.gz QNPSPPUXZSNJQQ-WUXMJOGZSA-N 0 0 402.441 4.939 50 0 HJAARN Cc1cc(NC(=O)c2cccc(Br)c2)ccc1I ZINC000000705676 557063622 /nfs/dbraw/zinc/06/36/22/557063622.db2.gz WMMSZINSCQQIAK-UHFFFAOYSA-N 0 0 416.056 4.614 50 0 HJAARN COc1ccccc1/C=C/[C@@H]1Nc2ccccc2C(=O)N1c1ccc2c(c1)OCO2 ZINC000007884971 536981623 /nfs/dbraw/zinc/98/16/23/536981623.db2.gz HFSRQINIDAQXFS-UQNNOOFXSA-N 0 0 400.434 4.536 50 0 HJAARN COc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 ZINC000000622333 557019767 /nfs/dbraw/zinc/01/97/67/557019767.db2.gz FENHVCGJSVXDNS-UHFFFAOYSA-N 0 0 406.482 4.642 50 0 HJAARN CCOC(=O)c1cc(C(=O)c2cccs2)n2ccc(C(=O)c3ccccc3)cc12 ZINC000000624940 557021505 /nfs/dbraw/zinc/02/15/05/557021505.db2.gz GYAOGVDXWDALJD-UHFFFAOYSA-N 0 0 403.459 4.640 50 0 HJAARN COc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000000629904 557025538 /nfs/dbraw/zinc/02/55/38/557025538.db2.gz HCMVOSKLXDIXFV-HSZRJFAPSA-N 0 0 423.559 4.703 50 0 HJAARN COc1ccc(CC(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)cc1OC ZINC000000629951 557025545 /nfs/dbraw/zinc/02/55/45/557025545.db2.gz UAAMCCFTNYAEKM-UHFFFAOYSA-N 0 0 401.466 4.508 50 0 HJAARN O=C(CSc1nnc2ccc3ccccc3n21)Nc1cccc(C(F)(F)F)c1 ZINC000000630202 557026062 /nfs/dbraw/zinc/02/60/62/557026062.db2.gz VTANOCSYCGMGOM-UHFFFAOYSA-N 0 0 402.401 4.632 50 0 HJAARN Fc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccs2)N2NC=NC2=N3)cc1 ZINC000000632223 557027340 /nfs/dbraw/zinc/02/73/40/557027340.db2.gz HONMPFMPCHIUPH-NHCUHLMSSA-N 0 0 402.454 4.691 50 0 HJAARN Cn1c2ccc(Br)cc2c2cc(NS(=O)(=O)c3ccccc3)ccc21 ZINC000000632293 557027387 /nfs/dbraw/zinc/02/73/87/557027387.db2.gz OJYROPRIWGMZJV-UHFFFAOYSA-N 0 0 415.312 4.895 50 0 HJAARN COc1cccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(C)cc2)N2NC=NC2=N3)c1 ZINC000000635854 557029519 /nfs/dbraw/zinc/02/95/19/557029519.db2.gz TUPLZYHCEXMIBU-LOSJGSFVSA-N 0 0 422.488 4.808 50 0 HJAARN O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)NCc1ccccc1 ZINC000000646602 557036458 /nfs/dbraw/zinc/03/64/58/557036458.db2.gz FIVZQRGRSCJDBZ-UHFFFAOYSA-N 0 0 421.419 4.710 50 0 HJAARN CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccc(Cl)cc1 ZINC000000648284 557037386 /nfs/dbraw/zinc/03/73/86/557037386.db2.gz YDSIEHRTXWIOJL-UHFFFAOYSA-N 0 0 400.935 4.966 50 0 HJAARN CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)Nc1cc(C)ccc1C ZINC000000649376 557038023 /nfs/dbraw/zinc/03/80/23/557038023.db2.gz XTWQSZHDZBOTCD-UHFFFAOYSA-N 0 0 423.586 4.875 50 0 HJAARN Cc1c(C(=O)Nc2ccccc2C)sc(NC(=O)C2CCC2)c1C(=O)OC(C)C ZINC000000659383 557042606 /nfs/dbraw/zinc/04/26/06/557042606.db2.gz OINSRYZAMXQRSC-UHFFFAOYSA-N 0 0 414.527 4.921 50 0 HJAARN COc1ccc(C(=O)C[C@@H](c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000662472 557044250 /nfs/dbraw/zinc/04/42/50/557044250.db2.gz XPLADPIUTYFBBX-DEOSSOPVSA-N 0 0 424.518 4.800 50 0 HJAARN O=S(=O)(c1ccc(Br)s1)N(Cc1ccccc1)Cc1ccccc1 ZINC000000664387 557044766 /nfs/dbraw/zinc/04/47/66/557044766.db2.gz ZTNHRMFCZQKTJS-UHFFFAOYSA-N 0 0 422.369 4.902 50 0 HJAARN Cc1cccc(NC(=O)CCc2ccc(S(=O)(=O)N[C@@H](C)c3ccccc3)cc2)c1 ZINC000000666040 557045651 /nfs/dbraw/zinc/04/56/51/557045651.db2.gz WEMHZHRYGGOSBR-IBGZPJMESA-N 0 0 422.550 4.606 50 0 HJAARN O=C(Nc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000000671097 557049160 /nfs/dbraw/zinc/04/91/60/557049160.db2.gz ZQHQOOTUKHDZQE-UHFFFAOYSA-N 0 0 419.865 4.924 50 0 HJAARN Cc1ccc(C(=O)Nc2ccc(Br)cc2)cc1I ZINC000000675383 557052024 /nfs/dbraw/zinc/05/20/24/557052024.db2.gz PFTBZRDUOYHROV-UHFFFAOYSA-N 0 0 416.056 4.614 50 0 HJAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)COc3ccccc3C)c2C(N)=O)C1 ZINC000000679976 557055579 /nfs/dbraw/zinc/05/55/79/557055579.db2.gz BZAWPRBZXXEEHL-HNNXBMFYSA-N 0 0 414.571 4.714 50 0 HJAARN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)cc1 ZINC000000682397 557056555 /nfs/dbraw/zinc/05/65/55/557056555.db2.gz TYINDGNADNDGSZ-LLVKDONJSA-N 0 0 413.109 4.926 50 0 HJAARN Fc1ccccc1CSc1nnc2c(n1)O[C@@H](c1cccnc1)Nc1ccccc1-2 ZINC000000683770 557057708 /nfs/dbraw/zinc/05/77/08/557057708.db2.gz QIYJLIZVPCVEFZ-FQEVSTJZSA-N 0 0 417.469 4.868 50 0 HJAARN CSc1nnc2c(n1)O[C@@H](c1ccco1)N(C(=O)c1ccccc1)c1ccccc1-2 ZINC000000684717 557057972 /nfs/dbraw/zinc/05/79/72/557057972.db2.gz PPBGBOUIAGHPTA-NRFANRHFSA-N 0 0 416.462 4.592 50 0 HJAARN CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1ccc(CC)cc1 ZINC000000684485 557058034 /nfs/dbraw/zinc/05/80/34/557058034.db2.gz NRYLSFQXHQMFQV-NRFANRHFSA-N 0 0 406.511 4.657 50 0 HJAARN CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1c(C)cccc1C ZINC000000687640 557059373 /nfs/dbraw/zinc/05/93/73/557059373.db2.gz WZPLMOQWOXNELE-UHFFFAOYSA-N 0 0 410.543 4.533 50 0 HJAARN COC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000000689175 557060329 /nfs/dbraw/zinc/06/03/29/557060329.db2.gz OOOCZQSXSWFSEO-ZDUSSCGKSA-N 0 0 415.511 4.667 50 0 HJAARN CC[C@H]1CCc2c(sc(NC(=O)COc3ccc4ccccc4c3)c2C(N)=O)C1 ZINC000000689060 557060371 /nfs/dbraw/zinc/06/03/71/557060371.db2.gz JQDYCHHMIVOYBB-AWEZNQCLSA-N 0 0 408.523 4.533 50 0 HJAARN COc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCCCCC4)cc1OC ZINC000000691598 557060580 /nfs/dbraw/zinc/06/05/80/557060580.db2.gz SZVYODNUACTMRW-UHFFFAOYSA-N 0 0 411.527 4.807 50 0 HJAARN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(C(C)(C)C)cc2)N2C(=O)CCSC2=N1 ZINC000000702241 557062131 /nfs/dbraw/zinc/06/21/31/557062131.db2.gz FKWKIGKJIMAZKW-HXUWFJFHSA-N 0 0 414.571 4.834 50 0 HJAARN Clc1ccc(CSc2nnc(-c3cnccn3)n2Cc2ccco2)c(Cl)c1 ZINC000000703961 557063134 /nfs/dbraw/zinc/06/31/34/557063134.db2.gz HJZBBUFIXNVICN-UHFFFAOYSA-N 0 0 418.309 4.976 50 0 HJAARN CC1=C(C(=O)OC2CCCCCCC2)[C@@H](c2ccccc2OC(C)C)NC(=O)N1 ZINC000000706333 557063683 /nfs/dbraw/zinc/06/36/83/557063683.db2.gz ZGBYCOAJHXRKTR-OAQYLSRUSA-N 0 0 400.519 4.758 50 0 HJAARN Cc1nc2sc3c(c2c(SCC(=O)c2ccc4c(c2)OCCO4)n1)CCCC3 ZINC000000715665 557067825 /nfs/dbraw/zinc/06/78/25/557067825.db2.gz WRIJFOFBIYZJTJ-UHFFFAOYSA-N 0 0 412.536 4.625 50 0 HJAARN COc1ccc(NC2=C[C@@H](c3cccc(OC)c3)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000000716221 557067922 /nfs/dbraw/zinc/06/79/22/557067922.db2.gz DYSCFVBRAKTUAR-DEOSSOPVSA-N 0 0 416.477 4.796 50 0 aggregator HJAARN COc1ccc([C@@H]2[C@@H](Oc3ccccc3)C(=O)N2c2ccc(C)c(C)c2)cc1OC ZINC000000717829 557068678 /nfs/dbraw/zinc/06/86/78/557068678.db2.gz ZHYHURCCOGWEPT-DNQXCXABSA-N 0 0 403.478 4.856 50 0 HJAARN COc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1Br ZINC000000724150 557072144 /nfs/dbraw/zinc/07/21/44/557072144.db2.gz VOYXVUQYWWFGJC-UHFFFAOYSA-N 0 0 424.254 4.913 50 0 HJAARN COc1ccc(NC(=O)c2ccc(OC(=S)N(C)c3ccc(OC)cc3)cc2)cc1 ZINC000000725500 557073015 /nfs/dbraw/zinc/07/30/15/557073015.db2.gz DALXKLKPSSLHOT-UHFFFAOYSA-N 0 0 422.506 4.756 50 0 HJAARN COc1ccc(Oc2coc3cc(OC(=O)c4ccccc4OC)ccc3c2=O)cc1 ZINC000000726263 557073287 /nfs/dbraw/zinc/07/32/87/557073287.db2.gz JQHCCJVZTYHHAR-UHFFFAOYSA-N 0 0 418.401 4.822 50 0 biogenic HJAARN CCOC(=O)c1c(C)n(Cc2ccccc2)c2cc(Br)c(OC)cc21 ZINC000000727209 557073801 /nfs/dbraw/zinc/07/38/01/557073801.db2.gz MXSONMRSYFBZIP-UHFFFAOYSA-N 0 0 402.288 4.946 50 0 HJAARN CC(C)C(=O)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2 ZINC000000727350 557073876 /nfs/dbraw/zinc/07/38/76/557073876.db2.gz SVKAFNANNQXSLB-UHFFFAOYSA-N 0 0 407.333 4.846 50 0 HJAARN C[C@H](Sc1nnc(-c2ccco2)o1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000000784090 557079776 /nfs/dbraw/zinc/07/97/76/557079776.db2.gz FJLLRWIIIVDNBW-HNNXBMFYSA-N 0 0 405.479 4.716 50 0 HJAARN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1cc(C)ccc1C(C)C ZINC000000812097 557087736 /nfs/dbraw/zinc/08/77/36/557087736.db2.gz ZCMOYJKQGNXYLH-UHFFFAOYSA-N 0 0 422.481 4.990 50 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/nfs/dbraw/zinc/10/62/61/557106261.db2.gz VWOAKCKTWSBXQB-UHFFFAOYSA-N 0 0 405.541 4.510 50 0 HJAARN COc1ccc(C)cc1NC(=O)c1cccc(C(=O)Nc2cc(C)ccc2OC)c1 ZINC000000869719 557106838 /nfs/dbraw/zinc/10/68/38/557106838.db2.gz RLYRHQLGUARHHS-UHFFFAOYSA-N 0 0 404.466 4.825 50 0 HJAARN CCCn1c2ccccc2c2nnc(SCC(=O)Nc3ccc(Cl)cc3)nc21 ZINC000000877514 557108902 /nfs/dbraw/zinc/10/89/02/557108902.db2.gz DGQKNGMEZGAPQY-UHFFFAOYSA-N 0 0 411.918 4.774 50 0 HJAARN COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4C)nc3c2)cc1 ZINC000000882030 557110021 /nfs/dbraw/zinc/11/00/21/557110021.db2.gz FFYVNIXLLHLFMK-UHFFFAOYSA-N 0 0 417.490 4.939 50 0 HJAARN COc1cccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NC4CCCCC4)c3N2)c1 ZINC000000884110 557110881 /nfs/dbraw/zinc/11/08/81/557110881.db2.gz KCOGZWJQJJXTPY-QZTJIDSGSA-N 0 0 422.451 4.615 50 0 HJAARN C[C@H]1CCCCN1C(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000000901460 557114486 /nfs/dbraw/zinc/11/44/86/557114486.db2.gz GHPXEXXLPQXYKG-NSHDSACASA-N 0 0 401.479 4.717 50 0 HJAARN CN(Cc1ccccc1)C(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 ZINC000000901879 557114806 /nfs/dbraw/zinc/11/48/06/557114806.db2.gz MTTBPNQYKQCATG-UHFFFAOYSA-N 0 0 407.417 4.506 50 0 HJAARN CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1cc(C)ccc1C ZINC000000907666 557115620 /nfs/dbraw/zinc/11/56/20/557115620.db2.gz UWOXAXARGSJLTM-UHFFFAOYSA-N 0 0 409.559 4.566 50 0 HJAARN COc1cc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc(OC)c1OC ZINC000000908379 557115644 /nfs/dbraw/zinc/11/56/44/557115644.db2.gz YBIDJSCKOPOLTD-UHFFFAOYSA-N 0 0 404.422 4.773 50 0 HJAARN Cc1cc(NC(=O)COc2ccc(Cl)cc2)ccc1NC(=O)c1cccs1 ZINC000000921690 557119599 /nfs/dbraw/zinc/11/95/99/557119599.db2.gz ZXBSENFNOAXKGU-UHFFFAOYSA-N 0 0 400.887 4.980 50 0 HJAARN O=C(COc1cc(Cl)ccc1Cl)Oc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000000943435 557121874 /nfs/dbraw/zinc/12/18/74/557121874.db2.gz VSIUBAHUDNUJMO-UHFFFAOYSA-N 0 0 405.233 4.573 50 0 HJAARN Cc1cc(C)cc(NC2=C(Cl)C(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000000946300 557122820 /nfs/dbraw/zinc/12/28/20/557122820.db2.gz 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/nfs/dbraw/zinc/15/28/75/557152875.db2.gz VAQAHAPERVCTCE-UHFFFAOYSA-N 0 0 422.403 4.997 50 0 HJAARN Cc1onc(-c2ccccc2Cl)c1-c1nnnn1-c1cccc(C(F)(F)F)c1 ZINC000001045124 557155783 /nfs/dbraw/zinc/15/57/83/557155783.db2.gz IJWWPTXOOMMURO-UHFFFAOYSA-N 0 0 405.767 4.965 50 0 HJAARN CCn1nc(C)c(Br)c1-c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000001047026 557156630 /nfs/dbraw/zinc/15/66/30/557156630.db2.gz CEPKDSJFJPLWHF-UHFFFAOYSA-N 0 0 401.186 4.710 50 0 HJAARN CN(C)c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000001048688 557158124 /nfs/dbraw/zinc/15/81/24/557158124.db2.gz VVUJYRFPEKBXQJ-UHFFFAOYSA-N 0 0 412.355 4.591 50 0 HJAARN Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(F)cc2)c(N2CCCCC2)o1 ZINC000001052761 557160619 /nfs/dbraw/zinc/16/06/19/557160619.db2.gz LYAFCIDLDJYVBF-UHFFFAOYSA-N 0 0 400.475 4.612 50 0 HJAARN COc1ccccc1[C@H]1C(C(=O)Nc2ccccc2)=C(C)Nc2nc3ccccc3n21 ZINC000001069402 557168415 /nfs/dbraw/zinc/16/84/15/557168415.db2.gz RKUFWYZCLJTRPV-QHCPKHFHSA-N 0 0 410.477 4.973 50 0 HJAARN O=C(CNC(=O)c1sc2ccccc2c1Cl)Nc1cccc(C(F)(F)F)c1 ZINC000001076225 557173214 /nfs/dbraw/zinc/17/32/14/557173214.db2.gz XRUQJGOINLCXAC-UHFFFAOYSA-N 0 0 412.820 4.942 50 0 HJAARN COC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CC[C@H](C)C2 ZINC000001088609 557177254 /nfs/dbraw/zinc/17/72/54/557177254.db2.gz HQMVMRPRDCLZEL-JTQLQIEISA-N 0 0 408.317 4.674 50 0 HJAARN O=C(NC(=S)Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccco1 ZINC000001101682 557179482 /nfs/dbraw/zinc/17/94/82/557179482.db2.gz PABWYFPMYQATMK-UHFFFAOYSA-N 0 0 413.842 4.574 50 0 HJAARN O=C(Nc1cccc2ccccc21)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000001103954 557179753 /nfs/dbraw/zinc/17/97/53/557179753.db2.gz SOSTZVMLFYLPBI-OAHLLOKOSA-N 0 0 409.283 4.594 50 0 HJAARN Cc1ccccc1NC(=O)c1ccccc1NC(=O)c1cncc(Br)c1 ZINC000001109344 557181983 /nfs/dbraw/zinc/18/19/83/557181983.db2.gz VICKDHHPHFCSJR-UHFFFAOYSA-N 0 0 410.271 4.657 50 0 HJAARN CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(C)cc2C)sc2c1CCCC2 ZINC000001109975 557182589 /nfs/dbraw/zinc/18/25/89/557182589.db2.gz 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CC[C@@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 ZINC000001119246 557189624 /nfs/dbraw/zinc/18/96/24/557189624.db2.gz KWWCCBAFCVQKKX-ZIAGYGMSSA-N 0 0 400.544 4.503 50 0 HJAARN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)CSc1ccc(Cl)cc1 ZINC000001123511 557193031 /nfs/dbraw/zinc/19/30/31/557193031.db2.gz VIXODTJWCALXOH-UHFFFAOYSA-N 0 0 416.886 4.925 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CC(c2cccc(Br)c2)=NO1 ZINC000001126270 557195590 /nfs/dbraw/zinc/19/55/90/557195590.db2.gz JILBCMKUFQWNDL-HNNXBMFYSA-N 0 0 413.193 4.600 50 0 HJAARN CCN(C(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1)c1cccc(C)c1 ZINC000001132291 557199044 /nfs/dbraw/zinc/19/90/44/557199044.db2.gz NTTXCUATZKDVEF-UHFFFAOYSA-N 0 0 421.566 4.965 50 0 HJAARN Cc1cc(Br)c(NC(=S)NC(=O)c2cccc(OC(C)C)c2)cc1C ZINC000001134751 557200600 /nfs/dbraw/zinc/20/06/00/557200600.db2.gz PTSWFEPTEOEZCN-UHFFFAOYSA-N 0 0 421.360 4.980 50 0 HJAARN CCOc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccncc2)cc1 ZINC000001139518 557202943 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O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000001158235 557216015 /nfs/dbraw/zinc/21/60/15/557216015.db2.gz GUQVWWNUQJBBNX-UHFFFAOYSA-N 0 0 421.722 4.593 50 0 HJAARN Brc1cccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)o2)c1 ZINC000001158576 557216383 /nfs/dbraw/zinc/21/63/83/557216383.db2.gz ITSWEQLALUVEJL-UHFFFAOYSA-N 0 0 415.272 4.841 50 0 HJAARN COc1cc(CNC(=O)c2ccccc2SCc2ccccc2)cc(OC)c1OC ZINC000001160167 557217516 /nfs/dbraw/zinc/21/75/16/557217516.db2.gz DDVMJSMNJMUPAF-UHFFFAOYSA-N 0 0 423.534 4.935 50 0 HJAARN O=C(C[C@H](c1ccccc1)c1cc(Br)ccc1O)NCc1ccccc1 ZINC000001161093 557218210 /nfs/dbraw/zinc/21/82/10/557218210.db2.gz DVPOFMBTHUNHAR-LJQANCHMSA-N 0 0 410.311 4.993 50 0 HJAARN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(F)c(Cl)c1)C1c3ccccc3C2c2ccccc21 ZINC000001165783 557220674 /nfs/dbraw/zinc/22/06/74/557220674.db2.gz LOKJXTBLJFUSDT-UJKMTWAASA-N 0 0 403.840 4.876 50 0 HJAARN O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1ccccc1Br ZINC000001169192 557223030 /nfs/dbraw/zinc/22/30/30/557223030.db2.gz 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ZINC000001192160 557236786 /nfs/dbraw/zinc/23/67/86/557236786.db2.gz KDYKUYUCADSQIL-OALUTQOASA-N 0 0 418.493 4.807 50 0 HJAARN CCOC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc2c1CCCCCC2 ZINC000001200117 557238816 /nfs/dbraw/zinc/23/88/16/557238816.db2.gz QWPNVUHWPJJBTM-UHFFFAOYSA-N 0 0 417.527 4.853 50 0 HJAARN CCC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccc(OC)cc2)C3=O)c1 ZINC000001200356 557239098 /nfs/dbraw/zinc/23/90/98/557239098.db2.gz KSUDGUCZOOHYMN-UHFFFAOYSA-N 0 0 416.433 4.637 50 0 HJAARN O=C(N[C@@H](Oc1ccccc1Br)C(Cl)(Cl)Cl)c1ccco1 ZINC000001480438 557270216 /nfs/dbraw/zinc/27/02/16/557270216.db2.gz IDXBFMNXULYGKF-LBPRGKRZSA-N 0 0 413.482 4.547 50 0 HJAARN COc1c(Cl)cc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)cc1Cl ZINC000001207198 557241512 /nfs/dbraw/zinc/24/15/12/557241512.db2.gz AHHRIJIAFMQOTR-UHFFFAOYSA-N 0 0 413.264 4.988 50 0 HJAARN Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCc4cccs4)c3n2)cc1 ZINC000001217148 557246433 /nfs/dbraw/zinc/24/64/33/557246433.db2.gz HDASIIZLXXKQLP-UHFFFAOYSA-N 0 0 416.428 4.715 50 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CCCCOc1ccccc1NC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O ZINC000001777498 557286881 /nfs/dbraw/zinc/28/68/81/557286881.db2.gz BXBONRHAUXRTBP-FQEVSTJZSA-N 0 0 408.498 4.515 50 0 HJAARN CCOC(=O)c1sc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C(=O)OCC)c1C ZINC000001908624 557295701 /nfs/dbraw/zinc/29/57/01/557295701.db2.gz MBJWGKPOTKLYGB-UHFFFAOYSA-N 0 0 417.527 4.960 50 0 HJAARN CCCCSc1nnc2c(n1)O[C@H](c1ccccc1)N(C(C)=O)c1ccccc1-2 ZINC000002087273 557311697 /nfs/dbraw/zinc/31/16/97/557311697.db2.gz IOZGOVSRWFZUMW-OAQYLSRUSA-N 0 0 406.511 4.875 50 0 HJAARN CCCOC(=O)c1c2c(sc1NC(=O)c1ccc(Br)o1)CCCC2 ZINC000002092885 557312712 /nfs/dbraw/zinc/31/27/12/557312712.db2.gz OIQLPOXWONRZQI-UHFFFAOYSA-N 0 0 412.305 4.802 50 0 HJAARN CCOc1ccc(/C=C2/SC(=O)N(CNc3ccccc3F)C2=O)cc1OCC ZINC000002119859 557315934 /nfs/dbraw/zinc/31/59/34/557315934.db2.gz ICEDOFRAAGFQBG-XDHOZWIPSA-N 0 0 416.474 4.729 50 0 HJAARN Fc1cccc(-c2nnc([C@H]3CC34CCN(c3ncnc5ccccc53)CC4)o2)c1 ZINC000071890513 557316397 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Cc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2F)cc1 ZINC000002255241 557331622 /nfs/dbraw/zinc/33/16/22/557331622.db2.gz SJBGRDLTAGYTNG-RPWUZVMVSA-N 0 0 410.452 4.938 50 0 HJAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1C ZINC000002300224 557335397 /nfs/dbraw/zinc/33/53/97/557335397.db2.gz YYHBLJWQWYUXJP-UHFFFAOYSA-N 0 0 402.479 4.633 50 0 HJAARN O=C(Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)c1ccc(Br)cc1 ZINC000002363087 557340697 /nfs/dbraw/zinc/34/06/97/557340697.db2.gz IRBOBJUDPKPHMW-UHFFFAOYSA-N 0 0 421.250 4.870 50 0 HJAARN O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)Nc1ccc(Cl)cc1 ZINC000002389684 557343387 /nfs/dbraw/zinc/34/33/87/557343387.db2.gz DQSWWKNMJOBXGP-UHFFFAOYSA-N 0 0 414.874 4.564 50 0 HJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(F)cc2)N1c1nccs1 ZINC000002400254 557344703 /nfs/dbraw/zinc/34/47/03/557344703.db2.gz HNTFMKPNYPDJBX-INIZCTEOSA-N 0 0 412.829 4.792 50 0 HJAARN CCOc1ccc(-c2nnc3sc(-c4ccc(Br)cc4)nn32)cc1 ZINC000002403022 557344972 /nfs/dbraw/zinc/34/49/72/557344972.db2.gz KPRBVXWWPVBRMG-UHFFFAOYSA-N 0 0 401.289 4.681 50 0 HJAARN CC(C)C(=O)Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000002421110 557346064 /nfs/dbraw/zinc/34/60/64/557346064.db2.gz UGTOXIVUUDKUPL-ZWKOTPCHSA-N 0 0 413.884 4.811 50 0 HJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(F)cc1)N(CCCOC(C)C)C3=O ZINC000002421394 557346423 /nfs/dbraw/zinc/34/64/23/557346423.db2.gz OBCWXZJLHITRFO-OAQYLSRUSA-N 0 0 409.457 4.601 50 0 HJAARN Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1 ZINC000002441960 557347874 /nfs/dbraw/zinc/34/78/74/557347874.db2.gz JVVODOQAVVRFFT-UHFFFAOYSA-N 0 0 415.522 4.677 50 0 HJAARN CCN(CC)c1ccc(NC(=O)CSc2ncnc3c4ccccc4oc32)cc1 ZINC000002452683 557349499 /nfs/dbraw/zinc/34/94/99/557349499.db2.gz YWLIKQIVPJMTFE-UHFFFAOYSA-N 0 0 406.511 4.953 50 0 HJAARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C(C)(C)C)cc2)N2C(=O)[C@H](C)SC2=N1 ZINC000002463219 557350306 /nfs/dbraw/zinc/35/03/06/557350306.db2.gz BWTWZELDXYHCMO-KBXCAEBGSA-N 0 0 400.544 4.584 50 0 HJAARN CCCCCc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(Br)cc32)cc1 ZINC000002463841 557350470 /nfs/dbraw/zinc/35/04/70/557350470.db2.gz CLKJVKQYCUXHBH-NRFANRHFSA-N 0 0 416.315 4.595 50 0 HJAARN CCOC(=O)c1cc(C(=O)c2ccc(OC)cc2)n2c1ccc1cc(OC)ccc12 ZINC000002532659 557355272 /nfs/dbraw/zinc/35/52/72/557355272.db2.gz WVDUHOBHZIAQDH-UHFFFAOYSA-N 0 0 403.434 4.517 50 0 HJAARN O=C(CCS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccc2ccccc2c1 ZINC000002541820 557355568 /nfs/dbraw/zinc/35/55/68/557355568.db2.gz HEFXVGUBFBDXNJ-UHFFFAOYSA-N 0 0 414.351 4.582 50 0 HJAARN O=C(Nc1ccccc1F)c1ccc(Cn2c3ncccc3nc2C(F)(F)F)cc1 ZINC000046159016 557362293 /nfs/dbraw/zinc/36/22/93/557362293.db2.gz ZTNZAJNNGPKPCW-UHFFFAOYSA-N 0 0 414.362 4.890 50 0 HJAARN CCCNC(=O)Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2cccc(F)c2)cc1 ZINC000034679726 557368098 /nfs/dbraw/zinc/36/80/98/557368098.db2.gz NIRGEKYVEJLIOS-UHFFFAOYSA-N 0 0 422.475 4.881 50 0 HJAARN CSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(Br)cc1 ZINC000002721649 557370264 /nfs/dbraw/zinc/37/02/64/557370264.db2.gz LFDXAKJVTZSFNL-UHFFFAOYSA-N 0 0 410.314 4.659 50 0 HJAARN O=C(NC[C@H]1CCCO1)c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000002740584 557375412 /nfs/dbraw/zinc/37/54/12/557375412.db2.gz DGJKCSSVEBLZIK-MRXNPFEDSA-N 0 0 411.299 4.573 50 0 HJAARN CCSc1nnc2c(n1)O[C@H](c1cc(Cl)c(O)c(OC)c1)Nc1ccccc1-2 ZINC000002747190 557377983 /nfs/dbraw/zinc/37/79/83/557377983.db2.gz AFVUGIBTMUOLFR-QGZVFWFLSA-N 0 0 416.890 4.521 50 0 HJAARN Cc1ccc(C(=O)COc2cccc(-c3noc(-c4ccc5c(c4)OCO5)n3)c2)cc1 ZINC000034680493 557382254 /nfs/dbraw/zinc/38/22/54/557382254.db2.gz LEGAKUFKKJNPJP-UHFFFAOYSA-N 0 0 414.417 4.702 50 0 HJAARN O=C(NCc1cccnc1)c1csc(-c2ccc(OCc3ccc(F)cc3)cc2)n1 ZINC000034711715 557391120 /nfs/dbraw/zinc/39/11/20/557391120.db2.gz XOFINZJLEMVHEC-UHFFFAOYSA-N 0 0 419.481 4.853 50 0 HJAARN COc1cc(-c2nc(C(=O)NC(C)C)cs2)ccc1OCc1ccc(F)cc1F ZINC000034712436 557391964 /nfs/dbraw/zinc/39/19/64/557391964.db2.gz LPFUSRZPJCPQQW-UHFFFAOYSA-N 0 0 418.465 4.814 50 0 HJAARN CCN(C)C(=O)c1csc(-c2ccc(OCc3cc(F)cc(F)c3)c(OC)c2)n1 ZINC000034712533 557392189 /nfs/dbraw/zinc/39/21/89/557392189.db2.gz MSLZTEVWBBVLOW-UHFFFAOYSA-N 0 0 418.465 4.768 50 0 HJAARN O=C(NCCSCc1c(F)cccc1Cl)c1ccc(Br)cc1 ZINC000002816715 557395219 /nfs/dbraw/zinc/39/52/19/557395219.db2.gz MVTFZEBHWNHIHA-UHFFFAOYSA-N 0 0 402.716 4.905 50 0 HJAARN CCCCC(=O)Nc1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1OC ZINC000002820751 557396009 /nfs/dbraw/zinc/39/60/09/557396009.db2.gz CNQXGTLWPMRKAL-UHFFFAOYSA-N 0 0 404.894 4.803 50 0 HJAARN CCn1c(S[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccc(N)cc1 ZINC000002836252 557399042 /nfs/dbraw/zinc/39/90/42/557399042.db2.gz VFBJNUGLVPBBEE-INIZCTEOSA-N 0 0 409.559 4.592 50 0 HJAARN O=C(COc1ccc(C(=O)NC2CCCCC2)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000002838007 557399792 /nfs/dbraw/zinc/39/97/92/557399792.db2.gz WDNQLIZBQUNICO-UHFFFAOYSA-N 0 0 420.431 4.785 50 0 HJAARN CC(=O)c1cccc(NC(=O)C(=Cc2ccc(Cl)cc2)NC(=O)c2ccco2)c1 ZINC000002841703 557401388 /nfs/dbraw/zinc/40/13/88/557401388.db2.gz 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c1nc2c(sc3nc(N4CCCCC4)c4c(c32)CCCC4)c(NC[C@H]2CCCO2)n1 ZINC000020029632 558323925 /nfs/dbraw/zinc/32/39/25/558323925.db2.gz PBAYHWRPNWRWSL-OAHLLOKOSA-N 0 0 423.586 4.700 50 0 HJAARN O=C(NC[C@H]1Cc2cccc(-c3ncccn3)c2O1)[C@H](c1ccccc1)C1CCCC1 ZINC000012100074 558325801 /nfs/dbraw/zinc/32/58/01/558325801.db2.gz UUNQCTUJRISOTQ-FYYLOGMGSA-N 0 0 413.521 4.537 50 0 HJAARN Cc1ccccc1[C@@H]1CCCN(C(=O)CC[C@]2(Cc3ccc(F)cc3)CCC(=O)N2)C1 ZINC000012099538 558325931 /nfs/dbraw/zinc/32/59/31/558325931.db2.gz SXTFGBHGMJTWHX-RLWLMLJZSA-N 0 0 422.544 4.512 50 0 HJAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C1(c2ccccc2)CCCC1 ZINC000020096598 558331683 /nfs/dbraw/zinc/33/16/83/558331683.db2.gz AWPWHJSEQNOOLQ-UHFFFAOYSA-N 0 0 418.459 4.993 50 0 HJAARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000012137235 558334195 /nfs/dbraw/zinc/33/41/95/558334195.db2.gz PNPKYJGGZPNPAX-OALUTQOASA-N 0 0 402.494 4.892 50 0 HJAARN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(OC)cc2)cc1 ZINC000012193364 558348536 /nfs/dbraw/zinc/34/85/36/558348536.db2.gz QSAUBTCGSFZJBA-RCZVLFRGSA-N 0 0 416.477 4.955 50 0 HJAARN Cc1cc(=O)c(C(=O)NCCC2=CCCCC2)c(C)n1CCc1c[nH]c2ccccc12 ZINC000020256900 558352220 /nfs/dbraw/zinc/35/22/20/558352220.db2.gz LXENXPLDJWOMBC-UHFFFAOYSA-N 0 0 417.553 4.809 50 0 HJAARN COc1ccccc1C(=O)N[C@H](c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000020274729 558353386 /nfs/dbraw/zinc/35/33/86/558353386.db2.gz FIVPBAIZGADLIE-FQEVSTJZSA-N 0 0 419.868 4.918 50 0 HJAARN CCc1ccc(CN(C)C(=O)c2cc(COc3ccc(Cl)cc3OC)on2)cc1 ZINC000012210758 558354127 /nfs/dbraw/zinc/35/41/27/558354127.db2.gz ZSLPBFXACIZCBO-UHFFFAOYSA-N 0 0 414.889 4.750 50 0 HJAARN Cc1cccc(C)c1OCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020347228 558356663 /nfs/dbraw/zinc/35/66/63/558356663.db2.gz UUQSBHGBICQKCU-UHFFFAOYSA-N 0 0 414.549 4.616 50 0 HJAARN COc1cc(C)c(-c2nc(CN3CCC([C@H](O)c4cccnc4)CC3)c(C)o2)cc1C ZINC000020406494 558360219 /nfs/dbraw/zinc/36/02/19/558360219.db2.gz ONTVEMDGIZMLOB-DEOSSOPVSA-N 0 0 421.541 4.616 50 0 HJAARN Cc1csc(SCC(=O)N2CCC(c3n[nH]cc3-c3ccccc3C)CC2)n1 ZINC000012246430 558361578 /nfs/dbraw/zinc/36/15/78/558361578.db2.gz HFRDDDAQCCJRNX-UHFFFAOYSA-N 0 0 412.584 4.648 50 0 HJAARN Cc1ncsc1CCN(C)C(=O)c1ccc2oc(CCc3ccccc3)nc2c1 ZINC000012298463 558368498 /nfs/dbraw/zinc/36/84/98/558368498.db2.gz YERJROPEFOKXGD-UHFFFAOYSA-N 0 0 405.523 4.693 50 0 HJAARN O=C(CC1=CCCCC1)N1CCC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000012300263 558370133 /nfs/dbraw/zinc/37/01/33/558370133.db2.gz AWPJOLIRCXPIOB-LJQANCHMSA-N 0 0 414.977 4.617 50 0 HJAARN COc1cc(C(=O)N2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)cc(OC)c1OC ZINC000012308375 558376712 /nfs/dbraw/zinc/37/67/12/558376712.db2.gz HCGDXIZYPSNTML-HXUWFJFHSA-N 0 0 412.530 4.553 50 0 HJAARN Cc1cccc(C[C@H](C)NC(=O)c2ccc3nc(Cc4ccccc4F)oc3c2)n1 ZINC000012308675 558376919 /nfs/dbraw/zinc/37/69/19/558376919.db2.gz ISSTZYUIGMHHLT-INIZCTEOSA-N 0 0 403.457 4.622 50 0 HJAARN Cc1ccc(OCc2cc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)no2)cn1 ZINC000012319126 558381603 /nfs/dbraw/zinc/38/16/03/558381603.db2.gz XCGHPOWXGYQTET-IBGZPJMESA-N 0 0 420.494 4.544 50 0 HJAARN Cc1nn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c2nc(C)cc(C(F)(F)F)c12 ZINC000020605967 558387694 /nfs/dbraw/zinc/38/76/94/558387694.db2.gz ZAVKWAXUDCNUHT-UHFFFAOYSA-N 0 0 416.325 4.724 50 0 HJAARN CCN(CC)c1ccc(NC(=O)COCc2cc(-c3ccc(F)cc3)on2)c(C)c1 ZINC000020608642 558389047 /nfs/dbraw/zinc/38/90/47/558389047.db2.gz KVQSKEUMZAVWQW-UHFFFAOYSA-N 0 0 411.477 4.791 50 0 HJAARN CC[C@@H](C(=O)Nc1ccc(F)cc1C)n1ccc(C(=O)Nc2ccc(F)cc2C)n1 ZINC000020617412 558393676 /nfs/dbraw/zinc/39/36/76/558393676.db2.gz FTUOUDVLLVJCEE-FQEVSTJZSA-N 0 0 412.440 4.620 50 0 HJAARN CC(C)Oc1cccc(C(=O)[C@@H]2CCCN(Cc3cccn3-c3nccs3)C2)c1 ZINC000012386376 558395005 /nfs/dbraw/zinc/39/50/05/558395005.db2.gz ZHBVDSLPFXOAJG-LJQANCHMSA-N 0 0 409.555 4.816 50 0 HJAARN Cc1nc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2cc(F)ccc2F)cs1 ZINC000012433080 558407284 /nfs/dbraw/zinc/40/72/84/558407284.db2.gz PIBFZQDDONCYMA-NRFANRHFSA-N 0 0 409.461 4.999 50 0 HJAARN O=C([O-])[C@H](c1c[nH]c2cc(F)ccc21)[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000020744677 558409446 /nfs/dbraw/zinc/40/94/46/558409446.db2.gz KDHJHWKGERKZFF-IBGZPJMESA-N 0 0 422.287 4.562 50 0 HJAARN COCC[C@@H]1CCCCN1C(=O)c1csc2nc(-c3ccccc3Cl)cn12 ZINC000012443023 558412634 /nfs/dbraw/zinc/41/26/34/558412634.db2.gz RBVAFVWDWQFRHQ-AWEZNQCLSA-N 0 0 403.935 4.747 50 0 HJAARN Fc1ccc2[nH]c([C@@H]3CCCCN3Cc3nc(CCc4ccccc4)no3)nc2c1 ZINC000012445373 558413460 /nfs/dbraw/zinc/41/34/60/558413460.db2.gz OKKLUZRSIDWAEI-FQEVSTJZSA-N 0 0 405.477 4.597 50 0 HJAARN COc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccc(C)cc2)CC1=O ZINC000012447739 558415237 /nfs/dbraw/zinc/41/52/37/558415237.db2.gz JRIZSAMQKBLQGM-FQEVSTJZSA-N 0 0 411.505 4.922 50 0 HJAARN COCc1ccc(C(=O)N2CCC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)o1 ZINC000012455486 558417074 /nfs/dbraw/zinc/41/70/74/558417074.db2.gz JEBRDUVYOBKWKZ-NRFANRHFSA-N 0 0 403.478 4.828 50 0 HJAARN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1 ZINC000012461623 558419180 /nfs/dbraw/zinc/41/91/80/558419180.db2.gz IIJPPWDSTOPUEI-UHFFFAOYSA-N 0 0 400.507 4.974 50 0 HJAARN COc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccccc2C)CC1=O ZINC000012463067 558419615 /nfs/dbraw/zinc/41/96/15/558419615.db2.gz VFNHRYFAQKZDGZ-HXUWFJFHSA-N 0 0 411.505 4.922 50 0 HJAARN Cc1oc(-c2cccs2)nc1CN1CCC[C@@H](C(=O)c2ccc3c(c2)OCO3)C1 ZINC000012465188 558420135 /nfs/dbraw/zinc/42/01/35/558420135.db2.gz CNGJYIPKRVIRMI-MRXNPFEDSA-N 0 0 410.495 4.535 50 0 HJAARN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl ZINC000072010948 558422402 /nfs/dbraw/zinc/42/24/02/558422402.db2.gz IDBAXQTVRPTRAX-JTQLQIEISA-N 0 0 415.704 4.755 50 0 HJAARN Cc1cccc(NC(=O)Cn2c3cc(C)ccc3cc(CNc3ccccc3)c2=O)c1 ZINC000020940085 558424881 /nfs/dbraw/zinc/42/48/81/558424881.db2.gz CPPMDZCPCLKAES-UHFFFAOYSA-N 0 0 411.505 4.869 50 0 HJAARN Cc1ccc(-n2ncc3c2ncnc3SCC(=O)Nc2cccc(C)c2C)c(C)c1 ZINC000004341740 558425447 /nfs/dbraw/zinc/42/54/47/558425447.db2.gz KTGBTUFHCLRUHA-UHFFFAOYSA-N 0 0 417.538 4.780 50 0 HJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccnc2)N1Cc1ccccc1 ZINC000012528125 558425481 /nfs/dbraw/zinc/42/54/81/558425481.db2.gz VRIQXSITVQIFAA-HXUWFJFHSA-N 0 0 402.837 4.587 50 0 HJAARN O=C(CSc1nnc2c3ccccc3[nH]c2n1)Nc1ccccc1-c1ccccc1 ZINC000004349536 558428347 /nfs/dbraw/zinc/42/83/47/558428347.db2.gz YKOKANVIDLGUIY-UHFFFAOYSA-N 0 0 411.490 4.904 50 0 HJAARN Cc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2ccc(F)cc2F)CC1 ZINC000012576412 558431019 /nfs/dbraw/zinc/43/10/19/558431019.db2.gz QTPBIGMRNHCQFI-UHFFFAOYSA-N 0 0 410.468 4.559 50 0 HJAARN CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCCN(C(=O)c2cccnc2SC)C1 ZINC000012586600 558434064 /nfs/dbraw/zinc/43/40/64/558434064.db2.gz AJRQRFYMUXECEY-SZIFGRNDSA-N 0 0 424.566 4.693 50 0 HJAARN O=C(CCc1c[nH]c2ccccc12)N[C@H]1CCCc2c1cnn2-c1ccccc1F ZINC000012587858 558434858 /nfs/dbraw/zinc/43/48/58/558434858.db2.gz VQVHMZJVIPITKW-NRFANRHFSA-N 0 0 402.473 4.619 50 0 HJAARN CCn1c2ccccc2c2nnc(SCc3nnc(-c4ccc(Cl)cc4)o3)nc21 ZINC000021332481 558436108 /nfs/dbraw/zinc/43/61/08/558436108.db2.gz AUASUINQYBZOMW-UHFFFAOYSA-N 0 0 422.901 4.995 50 0 HJAARN Cc1ccc(C)c(CN2c3ccccc3[C@](O)(CC(=O)c3ccccc3Cl)C2=O)c1 ZINC000021343645 558436740 /nfs/dbraw/zinc/43/67/40/558436740.db2.gz FIBVATDVHYXJJG-RUZDIDTESA-N 0 0 419.908 4.964 50 0 HJAARN CNC(=O)c1cccc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc32)c1 ZINC000021357939 558437168 /nfs/dbraw/zinc/43/71/68/558437168.db2.gz PCDAFUPQDIIJDA-UHFFFAOYSA-N 0 0 411.461 4.522 50 0 HJAARN Cc1csc(Nc2cccc(NS(=O)(=O)c3ccc(F)c4ncccc34)c2)n1 ZINC000072045283 558437692 /nfs/dbraw/zinc/43/76/92/558437692.db2.gz YPLCMKQBQBLTOX-UHFFFAOYSA-N 0 0 414.487 4.683 50 0 HJAARN COc1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc(Cl)c1OC(C)C ZINC000012628633 558440847 /nfs/dbraw/zinc/44/08/47/558440847.db2.gz LFMDTSMCCRSYED-GOSISDBHSA-N 0 0 413.905 4.989 50 0 HJAARN COc1ccc(-c2nc(COC(=O)c3cc(-c4ccccc4)[nH]n3)cs2)cc1OC ZINC000021628583 558443657 /nfs/dbraw/zinc/44/36/57/558443657.db2.gz SPPXZFODJWFHTD-UHFFFAOYSA-N 0 0 421.478 4.574 50 0 HJAARN COc1ccc(-c2nc(CSc3nc4ccccc4n4c(C)nnc34)c(C)o2)cc1 ZINC000021658054 558444758 /nfs/dbraw/zinc/44/47/58/558444758.db2.gz SHJKBHLUASJAOI-UHFFFAOYSA-N 0 0 417.494 4.850 50 0 HJAARN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000072059284 558444952 /nfs/dbraw/zinc/44/49/52/558444952.db2.gz DXXZNXXWONPFAW-GFCCVEGCSA-N 0 0 424.353 4.704 50 0 HJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1nc(-c2cccc(F)c2)cs1 ZINC000021669475 558445464 /nfs/dbraw/zinc/44/54/64/558445464.db2.gz WOWZLBHNMNFIJF-HXUWFJFHSA-N 0 0 407.470 4.852 50 0 HJAARN COC(=O)c1cccc(CSc2nnc(-c3ccco3)n2-c2ccccc2C)c1 ZINC000004358008 558446470 /nfs/dbraw/zinc/44/64/70/558446470.db2.gz XDYZKPIRQYWKKR-UHFFFAOYSA-N 0 0 405.479 4.915 50 0 HJAARN Cc1cc(C)cc(-n2c(=O)c3oc4ccccc4c3n(Cc3ccccc3F)c2=O)c1 ZINC000004359033 558447621 /nfs/dbraw/zinc/44/76/21/558447621.db2.gz XSLJQXQFHXVTAZ-UHFFFAOYSA-N 0 0 414.436 4.703 50 0 HJAARN O=C(NCCCC1CCCC1)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000012701625 558447726 /nfs/dbraw/zinc/44/77/26/558447726.db2.gz YJJYJFNSMCUACL-GOSISDBHSA-N 0 0 410.480 4.531 50 0 HJAARN COc1ccc(CCn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1OC ZINC000021790215 558448904 /nfs/dbraw/zinc/44/89/04/558448904.db2.gz AFSPCGRDWQKZAX-UHFFFAOYSA-N 0 0 406.507 4.693 50 0 HJAARN CC(=O)c1ccc(C(=O)N2CCC[C@@H](CCC(=O)Nc3ccc(F)cc3C)C2)s1 ZINC000012705819 558449825 /nfs/dbraw/zinc/44/98/25/558449825.db2.gz VEVCKPFCUHJISB-INIZCTEOSA-N 0 0 416.518 4.669 50 0 HJAARN COc1ccc(-c2nc3c4c(C)c(C)n(-c5ccc(C)cc5)c4ncn3n2)cc1OC ZINC000021801199 558450078 /nfs/dbraw/zinc/45/00/78/558450078.db2.gz VWRVZEBECKLRKD-UHFFFAOYSA-N 0 0 413.481 4.678 50 0 HJAARN O=C(NC[C@H](c1ccccc1Cl)N1CCCCC1)c1cc(-c2ccccc2)on1 ZINC000021805384 558450530 /nfs/dbraw/zinc/45/05/30/558450530.db2.gz QUPUOQUVOKJILD-OAQYLSRUSA-N 0 0 409.917 4.952 50 0 HJAARN O=C(c1ccc(OC2CCN(Cc3ccc(Cl)c(F)c3)CC2)cc1)N1CCCC1 ZINC000012712053 558452984 /nfs/dbraw/zinc/45/29/84/558452984.db2.gz DYMIYQOMFRQSPE-UHFFFAOYSA-N 0 0 416.924 4.759 50 0 HJAARN O=C(c1ccccc1OC1CCN(Cc2cc(F)cc(F)c2)CC1)N1CCCCC1 ZINC000012755267 558459870 /nfs/dbraw/zinc/45/98/70/558459870.db2.gz AXJHDZUAHFIPTR-UHFFFAOYSA-N 0 0 414.496 4.634 50 0 HJAARN O[C@H](COCc1ccc(Cl)cc1)Cn1c(COc2ccccc2)nc2ccccc21 ZINC000022082375 558462949 /nfs/dbraw/zinc/46/29/49/558462949.db2.gz BTDKFPDJSBSWON-FQEVSTJZSA-N 0 0 422.912 4.846 50 0 HJAARN CCCN(Cc1ccc(OCC)c(OCC)c1)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000012789419 558464521 /nfs/dbraw/zinc/46/45/21/558464521.db2.gz BHNPEDJUVKRTHL-UHFFFAOYSA-N 0 0 400.519 4.684 50 0 HJAARN COc1cc(C(=O)N2CCC(CCc3ccc(O)cc3)CC2)cc(Cl)c1OC ZINC000012789907 558464943 /nfs/dbraw/zinc/46/49/43/558464943.db2.gz NISRGZWSTRLESV-UHFFFAOYSA-N 0 0 403.906 4.548 50 0 HJAARN C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccc(F)cc3Br)n2)C1 ZINC000012793542 558467092 /nfs/dbraw/zinc/46/70/92/558467092.db2.gz RLGFRBOZABPVDM-LLVKDONJSA-N 0 0 412.328 4.529 50 0 HJAARN O=C(CCc1ncc(-c2c(F)cccc2F)o1)OCc1cc(-c2ccccc2)no1 ZINC000022227560 558467575 /nfs/dbraw/zinc/46/75/75/558467575.db2.gz LQMRKRMOKQMBTB-UHFFFAOYSA-N 0 0 410.376 4.951 50 0 HJAARN C[C@@H]1c2ccsc2CCN1C(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000012795900 558468923 /nfs/dbraw/zinc/46/89/23/558468923.db2.gz BUXAWAABGMJXAH-QGZVFWFLSA-N 0 0 414.534 4.814 50 0 HJAARN O=C(NCCc1csc(-c2cccc(F)c2)n1)c1ccc(Br)cc1 ZINC000004375417 558476041 /nfs/dbraw/zinc/47/60/41/558476041.db2.gz IZXLZLSBNBMPAS-UHFFFAOYSA-N 0 0 405.292 4.684 50 0 HJAARN CC(C)(C)c1ccc(C(=O)NCCc2csc3nc(-c4ccccc4F)nn23)cc1 ZINC000004375623 558476314 /nfs/dbraw/zinc/47/63/14/558476314.db2.gz UNYXJIWJAMTVIM-UHFFFAOYSA-N 0 0 422.529 4.867 50 0 HJAARN CCOc1ccc2[nH]c(SCC(=O)c3nnc(-c4ccc(Cl)cc4)o3)nc2c1 ZINC000012906725 558484133 /nfs/dbraw/zinc/48/41/33/558484133.db2.gz XFFWHVHGDSZDCB-UHFFFAOYSA-N 0 0 414.874 4.640 50 0 HJAARN COc1ccc(-c2nc(C(=O)N(C)Cc3cccc(Cl)c3)cs2)cc1OC ZINC000012910851 558484455 /nfs/dbraw/zinc/48/44/55/558484455.db2.gz HSRUDRGHQTZFQV-UHFFFAOYSA-N 0 0 402.903 4.753 50 0 HJAARN Cc1ccc(-c2csc3ncn(Cc4nc(-c5ccc(C)cc5)no4)c(=O)c23)cc1 ZINC000012910494 558484485 /nfs/dbraw/zinc/48/44/85/558484485.db2.gz QZBFLKOBDBKNHO-UHFFFAOYSA-N 0 0 414.490 4.840 50 0 HJAARN Cc1nc(-c2ccccc2)sc1CCNS(=O)(=O)c1c(C)cc(C)cc1C ZINC000004392334 558484843 /nfs/dbraw/zinc/48/48/43/558484843.db2.gz KMQWUYCFBCTIQE-UHFFFAOYSA-N 0 0 400.569 4.565 50 0 HJAARN Cc1csc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)n1 ZINC000012927741 558486412 /nfs/dbraw/zinc/48/64/12/558486412.db2.gz GMUYKZDJVUQKOW-UHFFFAOYSA-N 0 0 420.338 4.927 50 0 HJAARN CCc1ccccc1N1C[C@@H](C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CC1=O ZINC000012940232 558487125 /nfs/dbraw/zinc/48/71/25/558487125.db2.gz AMANTWPGRUPWPL-FXAWDEMLSA-N 0 0 419.550 4.575 50 0 HJAARN O=C(Cc1csc(-c2ccsc2)n1)NCc1ccc(OCC(F)(F)F)cc1 ZINC000022418193 558488293 /nfs/dbraw/zinc/48/82/93/558488293.db2.gz VEUMODBTNWALPZ-UHFFFAOYSA-N 0 0 412.458 4.672 50 0 HJAARN COc1ccc(Oc2cc(N[C@@H](C(=O)NC3CC3)c3ccccc3)ccc2OC)cc1 ZINC000022421176 558488660 /nfs/dbraw/zinc/48/86/60/558488660.db2.gz FIPYHXNFJIBVDJ-XMMPIXPASA-N 0 0 418.493 4.928 50 0 HJAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000012971965 558489186 /nfs/dbraw/zinc/48/91/86/558489186.db2.gz KRKXHNSEOKGBNF-KBPBESRZSA-N 0 0 419.312 4.561 50 0 HJAARN COc1ccc(-c2nc(C(=O)N[C@@H](C)c3ccc(F)c(F)c3)cs2)cc1OC ZINC000012972319 558489343 /nfs/dbraw/zinc/48/93/43/558489343.db2.gz KPSWRMYQXSXGRL-NSHDSACASA-N 0 0 404.438 4.597 50 0 HJAARN CC(C)Oc1ccc(C(=O)Nc2ccccc2-c2nc(-c3cccnc3)no2)cc1 ZINC000022459856 558490645 /nfs/dbraw/zinc/49/06/45/558490645.db2.gz YDYPBJFIDRBCSO-UHFFFAOYSA-N 0 0 400.438 4.838 50 0 HJAARN CN(Cc1nc2ccccc2s1)C(=O)CSc1ncc(-c2ccc(F)cc2)o1 ZINC000010845257 558492445 /nfs/dbraw/zinc/49/24/45/558492445.db2.gz VFKKPEDNCNZVMK-UHFFFAOYSA-N 0 0 413.499 4.841 50 0 HJAARN Cc1sc(NC(=O)c2cccc(N3CCCC3=O)c2)nc1-c1ccc(F)c(F)c1 ZINC000012997491 558499000 /nfs/dbraw/zinc/49/90/00/558499000.db2.gz YMBNRZFPPSENFY-UHFFFAOYSA-N 0 0 413.449 4.776 50 0 HJAARN COc1ccc(CN(C)C(=O)CSc2nc3cc(Cl)ccc3s2)cc1OC ZINC000022569609 558499662 /nfs/dbraw/zinc/49/96/62/558499662.db2.gz JUMNHTVMCQWSLZ-UHFFFAOYSA-N 0 0 422.959 4.718 50 0 HJAARN Cc1cc(C)c(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)c(Cl)c1 ZINC000013001832 558500619 /nfs/dbraw/zinc/50/06/19/558500619.db2.gz UQOUBADFGZOQQT-UHFFFAOYSA-N 0 0 415.946 4.636 50 0 HJAARN O=C(c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)N1CCC(c2ccccc2)CC1 ZINC000013019152 558504372 /nfs/dbraw/zinc/50/43/72/558504372.db2.gz HNZQSMLSEZYVPR-UHFFFAOYSA-N 0 0 424.500 4.503 50 0 HJAARN COc1ccc(C=C(C(=O)Nc2ccccc2C)C(=O)Nc2ccccc2C)cc1O ZINC000013041629 558507438 /nfs/dbraw/zinc/50/74/38/558507438.db2.gz CQOQOQLOGGDHNX-UHFFFAOYSA-N 0 0 416.477 4.678 50 0 HJAARN CCc1cccc(C)c1NC(=O)c1ccccc1SCC(=O)NCc1ccco1 ZINC000013042333 558508198 /nfs/dbraw/zinc/50/81/98/558508198.db2.gz FIJCUBGXJLZXCW-UHFFFAOYSA-N 0 0 408.523 4.811 50 0 HJAARN c1cc(-c2noc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cs1 ZINC000022786981 558511020 /nfs/dbraw/zinc/51/10/20/558511020.db2.gz HMVOJNPBKBGMHB-UHFFFAOYSA-N 0 0 416.550 4.705 50 0 HJAARN CCC(C)(C)C1CCC2(CC1)NC(=O)N(CN(C)Cc1ccc(Cl)cc1)C2=O ZINC000013073992 558511921 /nfs/dbraw/zinc/51/19/21/558511921.db2.gz GDOQWBUIRFJXKB-UHFFFAOYSA-N 0 0 405.970 4.646 50 0 HJAARN COCCN(CCOC)c1nc(-c2ccccn2)nc2sc(-c3ccccc3)cc21 ZINC000022797441 558512419 /nfs/dbraw/zinc/51/24/19/558512419.db2.gz GXSDOKVFQIYEHF-UHFFFAOYSA-N 0 0 420.538 4.520 50 0 HJAARN S=C1N=NC(c2ccc(Br)cc2)N1c1ccc(Br)cc1 ZINC000013108926 558514867 /nfs/dbraw/zinc/51/48/67/558514867.db2.gz YTTVCUUADSPOAF-UHFFFAOYSA-N 0 0 411.122 4.748 50 0 HJAARN Cc1sc2nc(CSCC(=O)c3cc(C)ccc3OC(F)F)[nH]c(=O)c2c1C ZINC000013109960 558515121 /nfs/dbraw/zinc/51/51/21/558515121.db2.gz RUMWLPLRMKXFOT-UHFFFAOYSA-N 0 0 424.494 4.627 50 0 HJAARN CN1C(=O)CS[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000013115483 558516072 /nfs/dbraw/zinc/51/60/72/558516072.db2.gz NEJIOSMZHAIONS-LJQANCHMSA-N 0 0 414.328 4.506 50 0 HJAARN Cc1cccn2c(=O)cc(CSc3nnc(-c4cc5c(s4)CC[C@@H](C)C5)o3)nc12 ZINC000013117059 558516536 /nfs/dbraw/zinc/51/65/36/558516536.db2.gz QVPRCAHMAZKBHT-GFCCVEGCSA-N 0 0 424.551 4.532 50 0 HJAARN O=C(CSc1ncnc2ccccc21)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000013117028 558516547 /nfs/dbraw/zinc/51/65/47/558516547.db2.gz CQKYYQKFQREYIM-QGZVFWFLSA-N 0 0 420.519 4.754 50 0 HJAARN O=C(CCNC(=O)c1ccc(F)cc1F)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000022847829 558516645 /nfs/dbraw/zinc/51/66/45/558516645.db2.gz LQJDHQSLMKMXIW-UHFFFAOYSA-N 0 0 421.403 4.532 50 0 HJAARN COc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccs2)N2NC=NC2=N3)cc1 ZINC000013122778 558517444 /nfs/dbraw/zinc/51/74/44/558517444.db2.gz DSVOYVNWGMJQFR-VXKWHMMOSA-N 0 0 414.490 4.561 50 0 HJAARN COc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3[C@H]2CCOC(C)(C)C2)cc1 ZINC000013123346 558517765 /nfs/dbraw/zinc/51/77/65/558517765.db2.gz WFSCFDJYVYIFDV-KXBFYZLASA-N 0 0 401.532 4.754 50 0 HJAARN CC(C)N1c2ccccc2/C(=C/c2nc3ccccc3c(=O)n2-c2ccccc2)C1=O ZINC000013123327 558517771 /nfs/dbraw/zinc/51/77/71/558517771.db2.gz JQVDKZGPMNGDQC-PGMHBOJBSA-N 0 0 407.473 4.681 50 0 HJAARN O=C(Nc1ccc2c(c1)CCC2)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000013124474 558518055 /nfs/dbraw/zinc/51/80/55/558518055.db2.gz MVMOSZFLDVTONJ-WMZOPIPTSA-N 0 0 416.403 4.877 50 0 aggregator HJAARN Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1 ZINC000022901897 558519478 /nfs/dbraw/zinc/51/94/78/558519478.db2.gz ZXGLGALVKSYVAC-UHFFFAOYSA-N 0 0 421.497 4.651 50 0 HJAARN Cc1ccc(C)c(NC(=O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1 ZINC000013140979 558521960 /nfs/dbraw/zinc/52/19/60/558521960.db2.gz HMWYDDIFCQTJFR-UHFFFAOYSA-N 0 0 414.840 4.749 50 0 HJAARN CC(C)Cn1c(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nnc1-c1ccccc1F ZINC000013141712 558522425 /nfs/dbraw/zinc/52/24/25/558522425.db2.gz MWVIQLJUDIYSJI-JTDSTZFVSA-N 0 0 418.582 4.773 50 0 HJAARN C[C@H](NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000013148956 558523677 /nfs/dbraw/zinc/52/36/77/558523677.db2.gz SYZIJBJRJSLCMR-INIZCTEOSA-N 0 0 421.880 4.605 50 0 HJAARN Cc1c(C)c(C)c(S(=O)(=O)Oc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)c(C)c1C ZINC000013282667 558528934 /nfs/dbraw/zinc/52/89/34/558528934.db2.gz HYSNJDGAQQGPKI-GASCZTMLSA-N 0 0 417.571 4.610 50 0 HJAARN Cc1c(C(=O)NCCCOC2CCCCC2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000022991357 558529443 /nfs/dbraw/zinc/52/94/43/558529443.db2.gz JFQJADXULBODGP-UHFFFAOYSA-N 0 0 409.452 4.669 50 0 HJAARN C[C@H](OC(=O)c1cccc(NC(=O)c2cccs2)c1)C(=O)c1c[nH]c2ccccc21 ZINC000023070447 558533042 /nfs/dbraw/zinc/53/30/42/558533042.db2.gz SNMLBOZQFSKAGN-AWEZNQCLSA-N 0 0 418.474 4.910 50 0 HJAARN CN(Cc1cccc(Cl)c1Cl)C(=O)NCc1cccc(NC(=O)C2CC2)c1 ZINC000023080042 558533661 /nfs/dbraw/zinc/53/36/61/558533661.db2.gz MDKGRJCHCJAENZ-UHFFFAOYSA-N 0 0 406.313 4.684 50 0 HJAARN C[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccc(NC(=O)C2CC2)cc1 ZINC000023103086 558534279 /nfs/dbraw/zinc/53/42/79/558534279.db2.gz MKKOPPYYMGJAJC-HNNXBMFYSA-N 0 0 421.472 4.639 50 0 HJAARN CCCCCOc1ccc(C(=O)CCC(=O)NCc2ccc(N3CCCC3)nc2)cc1 ZINC000023101151 558534386 /nfs/dbraw/zinc/53/43/86/558534386.db2.gz BKNRYINOJFWJAT-UHFFFAOYSA-N 0 0 423.557 4.530 50 0 HJAARN Cc1ccc(NC(=O)Cn2cnc3c(-c4ccc(Cl)cc4)csc3c2=O)cc1 ZINC000023126780 558536023 /nfs/dbraw/zinc/53/60/23/558536023.db2.gz YLIUQVSXRZFAOI-UHFFFAOYSA-N 0 0 409.898 4.726 50 0 HJAARN CCN(C(=O)Cn1cnc2c(-c3ccc(Cl)cc3)csc2c1=O)c1ccccc1 ZINC000023126785 558536048 /nfs/dbraw/zinc/53/60/48/558536048.db2.gz ZTVOPAYVPQZONG-UHFFFAOYSA-N 0 0 423.925 4.832 50 0 HJAARN CSc1nc2c(sc3nc(-c4ccccc4)c4c(c32)CC(C)(C)OC4)c(NN)n1 ZINC000013514338 558536096 /nfs/dbraw/zinc/53/60/96/558536096.db2.gz BCBOREICZFKWAS-UHFFFAOYSA-N 0 0 423.567 4.765 50 0 HJAARN OCCOc1cccc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(F)cc2)c1 ZINC000023129091 558536947 /nfs/dbraw/zinc/53/69/47/558536947.db2.gz MKCSNCQRDIQPCW-AREMUKBSSA-N 0 0 416.496 4.826 50 0 HJAARN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccccc2)cc1OC ZINC000013536766 558537328 /nfs/dbraw/zinc/53/73/28/558537328.db2.gz NJHVRHMSDDWBDE-NBGIEHNGSA-N 0 0 416.477 4.955 50 0 HJAARN CCOc1ccccc1/C=C(\NC(=O)c1ccccc1)C(=O)Nc1ccc(OC)cc1 ZINC000013550806 558538944 /nfs/dbraw/zinc/53/89/44/558538944.db2.gz OFLGCQPJJYRYSK-XLNRJJMWSA-N 0 0 416.477 4.504 50 0 HJAARN COc1ccc2c(C)c(CC(=O)Nc3ccc(Cl)cc3Cl)c(=O)oc2c1C ZINC000013574183 558543024 /nfs/dbraw/zinc/54/30/24/558543024.db2.gz MGSONPRWKHUQHV-UHFFFAOYSA-N 0 0 406.265 4.906 50 0 HJAARN CC(C)[C@H](NC(=O)N[C@@H]1CCCc2ccccc21)C(=O)N[C@H]1CCCc2ccccc21 ZINC000013629401 558552003 /nfs/dbraw/zinc/55/20/03/558552003.db2.gz BZZNNEANKNPIGA-VXNXHJTFSA-N 0 0 419.569 4.582 50 0 HJAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 ZINC000013630102 558552276 /nfs/dbraw/zinc/55/22/76/558552276.db2.gz COSYEDSFRVNBRT-KKBFJZEXSA-N 0 0 406.452 4.947 50 0 HJAARN CCCCC(=O)Nc1cccc(-c2cc(C(=O)OCC)nn2-c2ccccc2OC)c1 ZINC000023424479 558558041 /nfs/dbraw/zinc/55/80/41/558558041.db2.gz HHMBKRGMFDPPNP-UHFFFAOYSA-N 0 0 421.497 4.853 50 0 HJAARN Cc1ccc2c(=O)cc(C(=O)Nc3nonc3-c3ccc4c(c3)CCCC4)oc2c1C ZINC000013653657 558558307 /nfs/dbraw/zinc/55/83/07/558558307.db2.gz WGOOGHXXXHKEHB-UHFFFAOYSA-N 0 0 415.449 4.591 50 0 HJAARN O=C(NCc1ccc(Cl)cc1)C(=O)Nc1c2ccccc2[nH]c1-c1ccccc1 ZINC000013655434 558558794 /nfs/dbraw/zinc/55/87/94/558558794.db2.gz BGZMAOIBEVXKOJ-UHFFFAOYSA-N 0 0 403.869 4.743 50 0 HJAARN COc1c(F)c(F)cc2c(=O)c(C(=O)N[C@H](C)CCCC(C)C)cn(C3CC3)c21 ZINC000013691268 558573219 /nfs/dbraw/zinc/57/32/19/558573219.db2.gz OLEFIUIBBXJMAV-CYBMUJFWSA-N 0 0 406.473 4.568 50 0 HJAARN Cc1c(C(=O)N[C@H](c2nccn2C)c2ccc(F)cc2)sc2nc(C)cc(C)c12 ZINC000023778186 558575636 /nfs/dbraw/zinc/57/56/36/558575636.db2.gz ZVDMIEFHPQPNOW-SFHVURJKSA-N 0 0 408.502 4.614 50 0 HJAARN O=C(c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCO[C@H](c2ccccc2)C1 ZINC000023896955 558580593 /nfs/dbraw/zinc/58/05/93/558580593.db2.gz HBIJNZCFZABXSR-VWLOTQADSA-N 0 0 423.516 4.812 50 0 HJAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000013719163 558580762 /nfs/dbraw/zinc/58/07/62/558580762.db2.gz DGQKRAWXDYOXSZ-UHFFFAOYSA-N 0 0 409.902 4.664 50 0 HJAARN O=C(Nc1nc([C@H]2COc3ccccc3O2)cs1)c1ccc(Br)cc1 ZINC000013721489 558582398 /nfs/dbraw/zinc/58/23/98/558582398.db2.gz YTJWTIIMUNOQFL-MRXNPFEDSA-N 0 0 417.284 4.670 50 0 HJAARN CC1(C)Cc2cccc(OCC(=O)N3CCS[C@@H](c4cccs4)CC3)c2O1 ZINC000219461716 558589501 /nfs/dbraw/zinc/58/95/01/558589501.db2.gz UIUKNJYIJBPKPT-GOSISDBHSA-N 0 0 403.569 4.547 50 0 HJAARN CN(Cc1ccc(Cl)s1)C(=O)CSc1nc(C2CC2)nc2ccccc21 ZINC000010945550 558594974 /nfs/dbraw/zinc/59/49/74/558594974.db2.gz LIYKANMPPWTBJO-UHFFFAOYSA-N 0 0 403.960 4.973 50 0 HJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3F)[C@H]2C(=O)N1c1ccccc1Cl ZINC000013811168 558595767 /nfs/dbraw/zinc/59/57/67/558595767.db2.gz XFHQPKHHKCFCDY-NJDAHSKKSA-N 0 0 422.843 4.530 50 0 HJAARN CCOc1ccc(-c2noc(CCC(=O)N3CCCCC[C@@H]3c3cccn3C)n2)cc1 ZINC000024456680 558598118 /nfs/dbraw/zinc/59/81/18/558598118.db2.gz QCNNBENGKYGWOA-OAQYLSRUSA-N 0 0 422.529 4.550 50 0 HJAARN CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)COc1ccc(Cl)cc1 ZINC000013880374 558599512 /nfs/dbraw/zinc/59/95/12/558599512.db2.gz QNQHHIKFVDQPPU-UHFFFAOYSA-N 0 0 420.296 4.859 50 0 HJAARN O=C(Nc1cccc(-c2nnco2)c1)C1(c2ccc(Br)cc2)CCCC1 ZINC000024740176 558609235 /nfs/dbraw/zinc/60/92/35/558609235.db2.gz AARZJCCBXVRQAJ-UHFFFAOYSA-N 0 0 412.287 4.950 50 0 HJAARN O=C(CCCC(=O)c1cccs1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000024771503 558611958 /nfs/dbraw/zinc/61/19/58/558611958.db2.gz KBIKOLOBRZYCLS-UHFFFAOYSA-N 0 0 406.507 4.670 50 0 HJAARN O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1Oc1ccccc1 ZINC000004496172 558614924 /nfs/dbraw/zinc/61/49/24/558614924.db2.gz FOMNJUVBAYPFQI-UHFFFAOYSA-N 0 0 401.871 4.545 50 0 HJAARN Cc1ccc(C)c(-c2csc(NC(=O)[C@@H]3CCCN(C(=O)c4ccoc4)C3)n2)c1 ZINC000024835686 558616092 /nfs/dbraw/zinc/61/60/92/558616092.db2.gz WDEYFKUERDQOQG-MRXNPFEDSA-N 0 0 409.511 4.511 50 0 HJAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCC[C@H]3c3cccnc3)cc12 ZINC000024837854 558616403 /nfs/dbraw/zinc/61/64/03/558616403.db2.gz PRYXYKQKBXBBOP-FQEVSTJZSA-N 0 0 420.513 4.966 50 0 HJAARN C[C@@H](c1ccco1)N(C(=O)CN1CCC(Cc2ccccc2)CC1)c1ccccn1 ZINC000014093933 558619306 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CCSc1nnc2c(n1)O[C@@H](c1ccc(C)cc1)N(C(=O)CC)c1ccccc1-2 ZINC000032997213 558758393 /nfs/dbraw/zinc/75/83/93/558758393.db2.gz HGSOUKBVJBZSQI-NRFANRHFSA-N 0 0 406.511 4.793 50 0 HJAARN CCSc1nnc2c(n1)O[C@H](c1ccccc1F)N(C(C)=O)c1c(C)cc(C)cc1-2 ZINC000032997690 558758845 /nfs/dbraw/zinc/75/88/45/558758845.db2.gz NGSMGZFBRHYKHP-OAQYLSRUSA-N 0 0 424.501 4.851 50 0 HJAARN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1ccc(OCC2CC2)nc1 ZINC000072306556 558763314 /nfs/dbraw/zinc/76/33/14/558763314.db2.gz FAVOLJQSCOCSAE-NRFANRHFSA-N 0 0 404.514 4.778 50 0 HJAARN CCc1onc(C)c1[C@H]1CCCN1C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000033270676 558763644 /nfs/dbraw/zinc/76/36/44/558763644.db2.gz RLDHFJRQCCUIBP-CQSZACIVSA-N 0 0 417.531 4.641 50 0 HJAARN CC(=O)N(c1nc(/C=C/C(=O)NC2CCC(C)CC2)cs1)c1ccccc1F ZINC000015949315 558763702 /nfs/dbraw/zinc/76/37/02/558763702.db2.gz LJXKWGRMXFMMCD-VAWYXSNFSA-N 0 0 401.507 4.675 50 0 HJAARN O=C1N[C@]2(CCCc3ccccc32)C(=O)N1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000016046592 558770372 /nfs/dbraw/zinc/77/03/72/558770372.db2.gz VAQXZAXXBZPHJJ-QFIPXVFZSA-N 0 0 423.925 4.747 50 0 HJAARN CCOc1ccc2oc(C(=O)NCc3ccc(C(=O)N4CCCCC4)cc3)c(C)c2c1 ZINC000016142689 558773633 /nfs/dbraw/zinc/77/36/33/558773633.db2.gz HVNXWMYQUVWREU-UHFFFAOYSA-N 0 0 420.509 4.696 50 0 HJAARN CC(C)Oc1ccc(C(=O)N2CCN(c3nc4c(cccc4Cl)s3)CC2)cc1 ZINC000004583497 558773788 /nfs/dbraw/zinc/77/37/88/558773788.db2.gz KLJZMMPHECDZEL-UHFFFAOYSA-N 0 0 415.946 4.699 50 0 HJAARN Cc1cccc2sc(N3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)nc21 ZINC000004583468 558773803 /nfs/dbraw/zinc/77/38/03/558773803.db2.gz GGBDRDDYGHUQRT-UHFFFAOYSA-N 0 0 405.445 4.586 50 0 HJAARN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1nc(Cl)ccc1Cl ZINC000016237754 558780252 /nfs/dbraw/zinc/78/02/52/558780252.db2.gz DFNZYAONMIWGHX-UHFFFAOYSA-N 0 0 419.337 4.656 50 0 HJAARN COc1ccccc1-c1cc(C(=O)NC2CCCCC2)n2nc(C(C)(C)C)cc2n1 ZINC000034833651 558784536 /nfs/dbraw/zinc/78/45/36/558784536.db2.gz MVLHGPWCEPXAAT-UHFFFAOYSA-N 0 0 406.530 4.765 50 0 HJAARN C[C@@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000016319555 558785986 /nfs/dbraw/zinc/78/59/86/558785986.db2.gz RAFJUWKEEDBKNO-IYBDPMFKSA-N 0 0 412.584 4.877 50 0 HJAARN C[C@H](NC(=O)CCC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000004588129 558786848 /nfs/dbraw/zinc/78/68/48/558786848.db2.gz VBDCJUGKEMKKLI-IBGZPJMESA-N 0 0 402.494 4.862 50 0 HJAARN CCCCn1c2ccccc2nc1N1CCC[C@@H](C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000034910017 558787569 /nfs/dbraw/zinc/78/75/69/558787569.db2.gz KUQGWQNCPOLKOB-PZJWPPBQSA-N 0 0 404.558 4.930 50 0 HJAARN COc1ccccc1C(=O)N(Cc1cc(-c2ccccc2OC)on1)Cc1ccco1 ZINC000034922234 558787841 /nfs/dbraw/zinc/78/78/41/558787841.db2.gz RINWASNLSKIZGP-UHFFFAOYSA-N 0 0 418.449 4.794 50 0 HJAARN CCC(=O)c1ccc(Oc2c(F)c(F)c(/C=C/CN3CCOCC3)c(F)c2F)cc1 ZINC000016474974 558793295 /nfs/dbraw/zinc/79/32/95/558793295.db2.gz GWOQRPXMYLGCPX-ONEGZZNKSA-N 0 0 423.406 4.973 50 0 HJAARN COc1ccc(-c2nc3cccc(C)n3c2Nc2ccc3c(c2)OCO3)cc1OC ZINC000035615861 558794495 /nfs/dbraw/zinc/79/44/95/558794495.db2.gz LWGYRYIUUJVERN-UHFFFAOYSA-N 0 0 403.438 4.799 50 0 HJAARN CN(C)c1ccc(-c2nc3cnccn3c2Nc2ccc(Br)cc2)cc1 ZINC000035616509 558794696 /nfs/dbraw/zinc/79/46/96/558794696.db2.gz ZGQVNKYRCXWSEW-UHFFFAOYSA-N 0 0 408.303 4.968 50 0 HJAARN COc1ccc(N(Cc2ccccc2OC)S(=O)(=O)c2ccc(C)c(F)c2)cc1 ZINC000036248501 558798749 /nfs/dbraw/zinc/79/87/49/558798749.db2.gz XFTQURXDENHYIB-UHFFFAOYSA-N 0 0 415.486 4.547 50 0 HJAARN COc1cccc(N([C@H](C)c2ccc(C)cc2)S(=O)(=O)c2cccc(OC)c2)c1 ZINC000036248637 558798760 /nfs/dbraw/zinc/79/87/60/558798760.db2.gz HJPXRGZXEKEASE-GOSISDBHSA-N 0 0 411.523 4.969 50 0 HJAARN O=C(Nc1nc(CN2CCCC2)cs1)c1ccccc1OCc1ccc(F)cc1 ZINC000032978602 558803710 /nfs/dbraw/zinc/80/37/10/558803710.db2.gz BDVILSDVVUJCCP-UHFFFAOYSA-N 0 0 411.502 4.709 50 0 HJAARN CC(C)c1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(F)c2)s1 ZINC000016742539 558804316 /nfs/dbraw/zinc/80/43/16/558804316.db2.gz ZNWRMDGGWILNQQ-QGZVFWFLSA-N 0 0 421.453 4.657 50 0 HJAARN COP(=O)(OC)c1nc(Cc2ccc(Cl)cc2)oc1NCc1ccccc1 ZINC000016750259 558804567 /nfs/dbraw/zinc/80/45/67/558804567.db2.gz CIYQAZVKIMGKFX-UHFFFAOYSA-N 0 0 406.806 4.642 50 0 HJAARN CN(Cc1ccccc1)C(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccc(Cl)cc1)O2 ZINC000032983467 558804619 /nfs/dbraw/zinc/80/46/19/558804619.db2.gz HTEGVXPFELUKMJ-XKZIYDEJSA-N 0 0 418.880 4.984 50 0 HJAARN COc1ccc(CNc2oc(-c3ccc(Cl)cc3)nc2P(=O)(OC)OC)cc1 ZINC000016750896 558804658 /nfs/dbraw/zinc/80/46/58/558804658.db2.gz DRGHRURDGKPOFT-UHFFFAOYSA-N 0 0 422.805 4.727 50 0 HJAARN CCOc1ccc(-c2nonc2NC(=O)c2ccc(OC(C)C)cc2)cc1OCC ZINC000016753878 558805381 /nfs/dbraw/zinc/80/53/81/558805381.db2.gz PAUNGCSYSVIWCR-UHFFFAOYSA-N 0 0 411.458 4.574 50 0 HJAARN COc1ccc(CNC(=O)COc2cc(-c3ccc(C)cc3)nc3ccccc32)cc1 ZINC000032985882 558806295 /nfs/dbraw/zinc/80/62/95/558806295.db2.gz FVMRHWPXMTVVMH-UHFFFAOYSA-N 0 0 412.489 4.914 50 0 HJAARN CSCc1c2ccccc2oc1C(=O)NC[C@@H](c1ccccc1Cl)N(C)C ZINC000032988560 558808259 /nfs/dbraw/zinc/80/82/59/558808259.db2.gz BHNVWVDLHFPESI-SFHVURJKSA-N 0 0 402.947 4.982 50 0 HJAARN CCc1ccc(NC(=O)CSc2nccn3nc(-c4ccccc4OC)cc23)cc1 ZINC000016842071 558808279 /nfs/dbraw/zinc/80/82/79/558808279.db2.gz DZHKLTNGPGUFIW-UHFFFAOYSA-N 0 0 418.522 4.698 50 0 HJAARN COc1ccccc1-c1cc2c(SCC(=O)Nc3ccccc3Cl)nccn2n1 ZINC000016842047 558808287 /nfs/dbraw/zinc/80/82/87/558808287.db2.gz LTALAPGGBLYEEF-UHFFFAOYSA-N 0 0 424.913 4.789 50 0 HJAARN COc1ccc(Cc2nc3ccccc3n2C[C@H](O)COc2ccc(C)c(C)c2)cc1 ZINC000016903819 558809072 /nfs/dbraw/zinc/80/90/72/558809072.db2.gz STTYFHVGTBTYHA-NRFANRHFSA-N 0 0 416.521 4.692 50 0 HJAARN COCCCNc1nc2c(cnn2-c2ccccc2)c(Nc2cccc(Cl)c2)n1 ZINC000016942597 558809517 /nfs/dbraw/zinc/80/95/17/558809517.db2.gz UZGSXBDWTHZAOC-UHFFFAOYSA-N 0 0 408.893 4.661 50 0 HJAARN O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cc2ccccc2oc1=O ZINC000017028522 558812191 /nfs/dbraw/zinc/81/21/91/558812191.db2.gz NYWZORGKOTVQOJ-UHFFFAOYSA-N 0 0 406.507 4.970 50 0 HJAARN Cc1ccc(-c2csc3c2ncn(CC(=O)Nc2ccc(Cl)cc2)c3=O)cc1 ZINC000038651684 558813311 /nfs/dbraw/zinc/81/33/11/558813311.db2.gz ZFUNYFJVBFNWRX-UHFFFAOYSA-N 0 0 409.898 4.726 50 0 HJAARN CCOC(=O)c1c(NC(=S)Nc2cccc(C(C)=O)c2)sc2c1CCCC2 ZINC000017082526 558814703 /nfs/dbraw/zinc/81/47/03/558814703.db2.gz DATDGSILTFCNBR-UHFFFAOYSA-N 0 0 402.541 4.815 50 0 HJAARN CCc1c(C)scc1C(=O)Nn1c(=O)c2c3c(sc2[nH]c1=S)CCCCC3 ZINC000017091974 558820546 /nfs/dbraw/zinc/82/05/46/558820546.db2.gz RMERLSMKYZMQFH-UHFFFAOYSA-N 0 0 419.597 4.706 50 0 HJAARN CCn1c(COc2ccc(C)c(C)c2)nnc1SCC(=O)Nc1cc(C)cc(C)c1 ZINC000017094086 558822519 /nfs/dbraw/zinc/82/25/19/558822519.db2.gz YBULHICQRLZTKL-UHFFFAOYSA-N 0 0 424.570 4.841 50 0 HJAARN COC(=O)c1cc(OC(=O)c2ccccc2)c2c(c1)Oc1nc3ccccc3nc1O2 ZINC000017117788 558822980 /nfs/dbraw/zinc/82/29/80/558822980.db2.gz YDYVPJUNCJFADY-UHFFFAOYSA-N 0 0 414.373 4.534 50 0 HJAARN COc1ccc(-c2cc3c(SCC(=O)Nc4cc(F)ccc4C)nccn3n2)cc1 ZINC000017121252 558823104 /nfs/dbraw/zinc/82/31/04/558823104.db2.gz WGZAENMTVCQUPP-UHFFFAOYSA-N 0 0 422.485 4.583 50 0 HJAARN Cc1cc(-n2c(C)cc(C=C3NC(=S)N(c4ccc(C)cc4C)C3=O)c2C)no1 ZINC000039976012 558823170 /nfs/dbraw/zinc/82/31/70/558823170.db2.gz LZPFIEGBXUUXKO-WQRHYEAKSA-N 0 0 406.511 4.681 50 0 HJAARN Cc1cccc(Nc2nc(NCc3cccnc3)nc3c2cnn3-c2ccccc2)c1 ZINC000017135447 558823591 /nfs/dbraw/zinc/82/35/91/558823591.db2.gz CTFAGXCBYSEVHX-UHFFFAOYSA-N 0 0 407.481 4.875 50 0 HJAARN Cc1cc2nc3sc(C(=O)N[C@@H](c4cccs4)C(C)C)cc(=O)n3c2cc1C ZINC000033009066 558828191 /nfs/dbraw/zinc/82/81/91/558828191.db2.gz HKPBGBGNFQHHHZ-LJQANCHMSA-N 0 0 411.552 4.715 50 0 HJAARN CCCCOc1ccc(C2=NC(=CNc3ccccc3Br)C(=O)O2)cc1 ZINC000004590636 558829148 /nfs/dbraw/zinc/82/91/48/558829148.db2.gz HPWUBSBCARAMAK-AQTBWJFISA-N 0 0 415.287 4.885 50 0 HJAARN CC(C)(C)c1ccc(OC(=O)c2ccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc2)cc1 ZINC000017987396 558829219 /nfs/dbraw/zinc/82/92/19/558829219.db2.gz GNLCHJHSIYMFMX-OYRHEFFESA-N 0 0 405.494 4.883 50 0 HJAARN CC(C)Cc1nn(-c2ccccc2)cc1/C=C1\SC(=N)N(c2nccs2)C1=O ZINC000004593432 558831329 /nfs/dbraw/zinc/83/13/29/558831329.db2.gz LBUYHPMRJARHLM-RZZJTRJGSA-N 0 0 409.540 4.583 50 0 HJAARN Cc1ccnc(N2CCN(c3ncnc4scc(-c5ccc(F)cc5)c43)CC2)c1 ZINC000018148559 558832167 /nfs/dbraw/zinc/83/21/67/558832167.db2.gz AOPQAPDFCNLFSU-UHFFFAOYSA-N 0 0 405.502 4.527 50 0 HJAARN COc1ccc(-c2noc(COc3ccccc3C(=O)Nc3ccccc3C)n2)cc1 ZINC000033012974 558832764 /nfs/dbraw/zinc/83/27/64/558832764.db2.gz MMPPXZYORVFADF-UHFFFAOYSA-N 0 0 415.449 4.885 50 0 HJAARN Cc1ccc2cc(-c3noc(CCCC(=O)Nc4ccc(Cl)cc4)n3)c(=O)[nH]c2c1 ZINC000033013654 558833322 /nfs/dbraw/zinc/83/33/22/558833322.db2.gz HSVIVRBCZYNKRW-UHFFFAOYSA-N 0 0 422.872 4.501 50 0 HJAARN Cc1ccc2[nH]c(=O)c(-c3noc(CCCC(=O)Nc4cccc(Cl)c4)n3)cc2c1 ZINC000033013729 558833421 /nfs/dbraw/zinc/83/34/21/558833421.db2.gz MFDAQKWQWJQTJI-UHFFFAOYSA-N 0 0 422.872 4.501 50 0 HJAARN CCc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccc(C)cc3C)C2=O)cc1 ZINC000004600239 558835514 /nfs/dbraw/zinc/83/55/14/558835514.db2.gz PGIKEPKMVRHAIQ-MHZLTWQESA-N 0 0 413.517 4.873 50 0 HJAARN Cc1ccc(C)c(NC(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)c1 ZINC000046009355 558838891 /nfs/dbraw/zinc/83/88/91/558838891.db2.gz RYZDIYGBESOZBV-UHFFFAOYSA-N 0 0 416.481 4.930 50 0 HJAARN Cc1ccc(NC(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)cc1 ZINC000046009382 558839047 /nfs/dbraw/zinc/83/90/47/558839047.db2.gz RVKZSAVSZDGZLL-UHFFFAOYSA-N 0 0 402.454 4.622 50 0 HJAARN Cc1cccc(NC(=O)Cc2c(C)nc3nc(-c4ccccc4Cl)nn3c2C)c1C ZINC000046023835 558839198 /nfs/dbraw/zinc/83/91/98/558839198.db2.gz VFZJAEYMEAHKTC-UHFFFAOYSA-N 0 0 419.916 4.860 50 0 HJAARN Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)c(C)c1 ZINC000013583477 558845262 /nfs/dbraw/zinc/84/52/62/558845262.db2.gz USLUJDMCBFQMLG-UHFFFAOYSA-N 0 0 420.534 4.697 50 0 HJAARN Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)cc1C ZINC000013583484 558845268 /nfs/dbraw/zinc/84/52/68/558845268.db2.gz NHWHDFYORPSTST-UHFFFAOYSA-N 0 0 420.534 4.697 50 0 HJAARN CCN1c2ccccc2/C(=C/c2nc3ccccc3c(=O)n2-c2ccc(C)cc2)C1=O ZINC000013590243 558846304 /nfs/dbraw/zinc/84/63/04/558846304.db2.gz PUNQTZWMAFMSOJ-PGMHBOJBSA-N 0 0 407.473 4.601 50 0 HJAARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(O)cc3)n2-c2ccccc2)cc1 ZINC000033025691 558846447 /nfs/dbraw/zinc/84/64/47/558846447.db2.gz FPYDVNQSQWLHDS-UHFFFAOYSA-N 0 0 416.506 4.679 50 0 HJAARN Cc1cccn2c(=O)cc(CSc3ccccc3NC(=O)c3cccs3)nc12 ZINC000033026014 558846896 /nfs/dbraw/zinc/84/68/96/558846896.db2.gz HDHPWLZAEBEOGV-UHFFFAOYSA-N 0 0 407.520 4.609 50 0 HJAARN COc1ccc2cc(CNC(=O)[C@H](NC(=O)c3ccccc3Cl)C(C)C)ccc2c1 ZINC000011124757 558853992 /nfs/dbraw/zinc/85/39/92/558853992.db2.gz GSJKYHRTVKGURT-JOCHJYFZSA-N 0 0 424.928 4.573 50 0 HJAARN COCCCN1COc2ccc3c(=O)c(-c4ccccc4)c(C(F)(F)F)oc3c2C1 ZINC000013690237 558855601 /nfs/dbraw/zinc/85/56/01/558855601.db2.gz VXPTYYLHOBRUCL-UHFFFAOYSA-N 0 0 419.399 4.667 50 0 biogenic HJAARN O=C(CCCn1nc(-c2ccco2)ccc1=O)N(Cc1ccccc1)c1ccccc1 ZINC000013698489 558856815 /nfs/dbraw/zinc/85/68/15/558856815.db2.gz FTHNBQXBVFMCIG-UHFFFAOYSA-N 0 0 413.477 4.517 50 0 HJAARN CC(C)CCn1c(S[C@@H](C)c2nc(C(C)(C)C)no2)nc2ccccc2c1=O ZINC000071185302 558856869 /nfs/dbraw/zinc/85/68/69/558856869.db2.gz LPBODLQYSCRZDE-AWEZNQCLSA-N 0 0 400.548 4.976 50 0 HJAARN CC(C)OCCCNC(=O)c1cccc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033035743 558859689 /nfs/dbraw/zinc/85/96/89/558859689.db2.gz HHTOZJDYTWXCAZ-JOCHJYFZSA-N 0 0 423.557 4.643 50 0 HJAARN CC(=O)Nc1ccccc1Sc1nc(Br)nn1Cc1ccc(C)cc1 ZINC000033036188 558860184 /nfs/dbraw/zinc/86/01/84/558860184.db2.gz BOSAHTSJNRGRRD-UHFFFAOYSA-N 0 0 417.332 4.507 50 0 HJAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2OC)c(OC)c1 ZINC000004616875 558863261 /nfs/dbraw/zinc/86/32/61/558863261.db2.gz BXEJTVFSQKSIHC-SQJMNOBHSA-N 0 0 416.477 4.955 50 0 HJAARN C[C@H](C(=O)c1ccccc1)[C@]1(O)c2ccccc2N(Cc2cccc(Cl)c2)C1=O ZINC000068713108 558864357 /nfs/dbraw/zinc/86/43/57/558864357.db2.gz VJZUDPDBUWZMHP-GYCJOSAFSA-N 0 0 405.881 4.593 50 0 HJAARN C[C@@H](NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12)c1cc2ccccc2o1 ZINC000019292895 558864719 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CC[C@@H](C)N(Cc1ccc(OS(=O)(=O)CC)cc1)C(=O)Nc1ccc(C)cc1 ZINC000004797702 559066707 /nfs/dbraw/zinc/06/67/07/559066707.db2.gz YAMLUPYYXALJBJ-QGZVFWFLSA-N 0 0 404.532 4.556 50 0 HJAARN CCC[C@@]1(c2ccccc2)NC(=O)N(Cc2ncc(-c3ccc(Cl)cc3)o2)C1=O ZINC000011381293 559069738 /nfs/dbraw/zinc/06/97/38/559069738.db2.gz CZZRVOBUWLVYLK-QFIPXVFZSA-N 0 0 409.873 4.742 50 0 HJAARN C[C@@H](OC(=O)c1cc(-c2ccco2)nc2ccccc21)C(=O)N[C@@H](C)c1ccccc1 ZINC000011398452 559070530 /nfs/dbraw/zinc/07/05/30/559070530.db2.gz NBZRNBJXUYDXBC-DLBZAZTESA-N 0 0 414.461 4.918 50 0 HJAARN C[C@@H](NC(=O)[C@H](C)OC(=O)c1cc(-c2ccco2)nc2ccccc21)c1ccccc1 ZINC000011398463 559070551 /nfs/dbraw/zinc/07/05/51/559070551.db2.gz NBZRNBJXUYDXBC-SJORKVTESA-N 0 0 414.461 4.918 50 0 HJAARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000095393624 559081048 /nfs/dbraw/zinc/08/10/48/559081048.db2.gz CVQCUGIJEZDUSL-HDICACEKSA-N 0 0 400.272 4.921 50 0 HJAARN C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1nc2ccccc2c(=O)[nH]1 ZINC000011536124 559088314 /nfs/dbraw/zinc/08/83/14/559088314.db2.gz NBXNJIKLRLIDJO-LBPRGKRZSA-N 0 0 407.474 4.509 50 0 HJAARN O=C(Cc1csc(-c2ccsc2)n1)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000011535144 559088350 /nfs/dbraw/zinc/08/83/50/559088350.db2.gz GCXWMSZLXMJAHJ-UHFFFAOYSA-N 0 0 423.519 4.576 50 0 HJAARN O=C(Oc1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1)c1ccc(Cl)cc1Cl ZINC000096570027 559111328 /nfs/dbraw/zinc/11/13/28/559111328.db2.gz CXLYDTOYMNAKQT-HZPDHXFCSA-N 0 0 418.276 4.892 50 0 HJAARN C[C@@H](Sc1n[nH]c(Cc2cccs2)n1)C(=O)Nc1cccc(Cl)c1Cl ZINC000011600642 559112939 /nfs/dbraw/zinc/11/29/39/559112939.db2.gz LDWZEMYLLSFCAF-SECBINFHSA-N 0 0 413.355 4.883 50 0 HJAARN COc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)n3ncnc3N2C(=O)CC(C)C)cc1 ZINC000004816632 559112989 /nfs/dbraw/zinc/11/29/89/559112989.db2.gz DCDZGOLVCLLEFF-LEWJYISDSA-N 0 0 408.477 4.539 50 0 HJAARN CCCC(=O)N1c2ncnn2[C@@H](c2ccc(OC)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000004816788 559113579 /nfs/dbraw/zinc/11/35/79/559113579.db2.gz LEOMQMKFSSWYCJ-VQTJNVASSA-N 0 0 410.905 4.808 50 0 HJAARN CCCCC(=O)N1c2ncnn2[C@H](c2ccccc2OC)C[C@@H]1c1ccc(C)cc1 ZINC000004816941 559114902 /nfs/dbraw/zinc/11/49/02/559114902.db2.gz OSQHJABCGBRNHV-RTWAWAEBSA-N 0 0 404.514 4.853 50 0 HJAARN COc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2)N(C(=O)C(C)C)c2ncnn21 ZINC000004816962 559115011 /nfs/dbraw/zinc/11/50/11/559115011.db2.gz PWHWRKZQKGDSNU-RTBURBONSA-N 0 0 410.905 4.664 50 0 HJAARN COC(=O)c1sc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc32)nc1C ZINC000006279049 559118821 /nfs/dbraw/zinc/11/88/21/559118821.db2.gz CREYWBKSBQMKFG-UHFFFAOYSA-N 0 0 407.451 4.607 50 0 HJAARN CC(C)(C)OC(=O)N1C[C@H](C(F)(F)F)CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000097463380 559118859 /nfs/dbraw/zinc/11/88/59/559118859.db2.gz JYEHSLBGFOUCEE-CYBMUJFWSA-N 0 0 408.461 4.575 50 0 HJAARN CCN1c2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000097944085 559124655 /nfs/dbraw/zinc/12/46/55/559124655.db2.gz QMKYKFMDDWHBPX-IBGZPJMESA-N 0 0 401.869 4.524 50 0 HJAARN COc1cccc(CCNC(=O)c2c(C)noc2-c2ccc(OC(F)(F)F)cc2)c1 ZINC000023321057 559126108 /nfs/dbraw/zinc/12/61/08/559126108.db2.gz XUGLTGZXTTWVQT-UHFFFAOYSA-N 0 0 420.387 4.530 50 0 biogenic HJAARN Cc1ccc(C)c(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1 ZINC000098072806 559126402 /nfs/dbraw/zinc/12/64/02/559126402.db2.gz RAJDXNMUECLCAZ-UHFFFAOYSA-N 0 0 408.239 4.886 50 0 HJAARN FC(F)Oc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=Nc2ncnn21 ZINC000100716236 559138198 /nfs/dbraw/zinc/13/81/98/559138198.db2.gz BGTUKMDNXQLTAW-OAHLLOKOSA-N 0 0 419.229 4.698 50 0 HJAARN COc1ccc(C2=Nc3ncnn3[C@@H](c3ccc(Cl)cc3Cl)C2)c(OC)c1 ZINC000100983442 559142484 /nfs/dbraw/zinc/14/24/84/559142484.db2.gz LMQIPPPMGOWYMM-QGZVFWFLSA-N 0 0 403.269 4.658 50 0 HJAARN Cc1noc(C)c1C(=O)Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1 ZINC000014015753 559142625 /nfs/dbraw/zinc/14/26/25/559142625.db2.gz MNBBDEFPOBDPPU-UHFFFAOYSA-N 0 0 418.478 4.920 50 0 HJAARN O=C(Nc1cccc(-c2ccc3nnc(-c4cccs4)n3n2)c1)c1cccc(F)c1 ZINC000011665512 559143747 /nfs/dbraw/zinc/14/37/47/559143747.db2.gz JBMPWSXTXZJTDQ-UHFFFAOYSA-N 0 0 415.453 4.911 50 0 HJAARN O=C(Oc1ccccc1N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(Cl)cc1Cl ZINC000101320581 559146378 /nfs/dbraw/zinc/14/63/78/559146378.db2.gz SHWITYWDEVEQAD-ZIAGYGMSSA-N 0 0 418.276 4.892 50 0 HJAARN O=C(Nc1nnc(-c2ccco2)s1)c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000014093314 559150491 /nfs/dbraw/zinc/15/04/91/559150491.db2.gz CKRNLSAWIYZHRN-UHFFFAOYSA-N 0 0 413.462 4.903 50 0 HJAARN Cn1c2ccc(Br)cc2s/c1=N/C(=O)CCSc1ccccc1 ZINC000011667275 559156513 /nfs/dbraw/zinc/15/65/13/559156513.db2.gz IFEFTSWPNJJEKH-HTXNQAPBSA-N 0 0 407.358 4.612 50 0 HJAARN CN(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)C1CCCCC1 ZINC000004835612 559165617 /nfs/dbraw/zinc/16/56/17/559165617.db2.gz ISNPFKHFGRIGCA-UHFFFAOYSA-N 0 0 424.545 4.957 50 0 HJAARN CCCNC(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccc(Cl)cc2)cc1 ZINC000023332670 559171402 /nfs/dbraw/zinc/17/14/02/559171402.db2.gz HOUVEAHAOZYEFN-UHFFFAOYSA-N 0 0 411.889 4.509 50 0 HJAARN CCOc1ccccc1Nc1nnc(SCC(=O)N2[C@H](C)CCC[C@H]2C)s1 ZINC000004843447 559171871 /nfs/dbraw/zinc/17/18/71/559171871.db2.gz AZCANRVULTZDQN-ZIAGYGMSSA-N 0 0 406.577 4.562 50 0 HJAARN CCOc1ccccc1Nc1nnc(S[C@@H](C)C(=O)N(C)c2ccccc2)s1 ZINC000004843432 559171888 /nfs/dbraw/zinc/17/18/88/559171888.db2.gz KQCLAKVTTOLPSX-AWEZNQCLSA-N 0 0 414.556 4.824 50 0 HJAARN CC[C@H](COC)NC(=O)c1cncn1-c1cccc(-c2ccccc2C(F)(F)F)c1 ZINC000023334189 559172231 /nfs/dbraw/zinc/17/22/31/559172231.db2.gz FNXHAXKQUKSBNO-MRXNPFEDSA-N 0 0 417.431 4.713 50 0 HJAARN COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)N(C(=O)c1ccc(C)cc1)CC2 ZINC000023336546 559172554 /nfs/dbraw/zinc/17/25/54/559172554.db2.gz MWFICJRHWQUSLA-DEOSSOPVSA-N 0 0 405.469 4.939 50 0 HJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)C(C)(C)C)c2)n(-c2ccc(F)cc2)n1 ZINC000023334569 559172714 /nfs/dbraw/zinc/17/27/14/559172714.db2.gz VRWONEFQOIKXTQ-UHFFFAOYSA-N 0 0 409.461 4.840 50 0 HJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)[C@@H](C)CC)c2)n(-c2cccc(F)c2)n1 ZINC000023334511 559172721 /nfs/dbraw/zinc/17/27/21/559172721.db2.gz SJAGDMIREKBGBR-HNNXBMFYSA-N 0 0 409.461 4.840 50 0 HJAARN COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(F)cc2)cc1 ZINC000023434201 559174522 /nfs/dbraw/zinc/17/45/22/559174522.db2.gz NBPRKYPJFQGDFX-DEOSSOPVSA-N 0 0 421.468 4.639 50 0 HJAARN O=C(NCCc1ccncc1)c1ccc(-c2[nH]nc3c2CCCc2ccccc2-3)cc1 ZINC000023444993 559175218 /nfs/dbraw/zinc/17/52/18/559175218.db2.gz FWZRBEHWDVVRTD-UHFFFAOYSA-N 0 0 408.505 4.600 50 0 HJAARN CC[C@@H](C(=O)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1)c1ccccc1 ZINC000220689609 559176442 /nfs/dbraw/zinc/17/64/42/559176442.db2.gz KQWLVGBLFFFMST-IEBWSBKVSA-N 0 0 407.489 4.851 50 0 HJAARN Cc1ccccc1C(=O)N[C@H](C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1)C(C)C ZINC000023546935 559176868 /nfs/dbraw/zinc/17/68/68/559176868.db2.gz KLHSSIWQQSXYND-BEFAXECRSA-N 0 0 406.448 4.646 50 0 HJAARN CCCCOc1ccccc1-c1cc(C(=O)N2CCN(c3ccccc3C)CC2)[nH]n1 ZINC000072331272 559178203 /nfs/dbraw/zinc/17/82/03/559178203.db2.gz RBYCKCLIPVGRDR-UHFFFAOYSA-N 0 0 418.541 4.526 50 0 HJAARN CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000023623309 559178305 /nfs/dbraw/zinc/17/83/05/559178305.db2.gz QCMFIPIHUYHQLS-UHFFFAOYSA-N 0 0 414.914 4.956 50 0 HJAARN O=C(NCCSc1ccccc1)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000023956741 559186447 /nfs/dbraw/zinc/18/64/47/559186447.db2.gz KQWIJZZITXWLFZ-HXUWFJFHSA-N 0 0 418.562 4.601 50 0 HJAARN CC(C)n1ccc2c1cccc2NC(=O)Cc1nn(C(C)C)c(=O)c2ccccc12 ZINC000072401842 559189578 /nfs/dbraw/zinc/18/95/78/559189578.db2.gz KWEFTALPUDPDAY-UHFFFAOYSA-N 0 0 402.498 4.694 50 0 HJAARN Cc1cc(C(=O)COC(=O)c2cc(F)c(F)cc2Cl)c(C)n1Cc1ccco1 ZINC000004847042 559190500 /nfs/dbraw/zinc/19/05/00/559190500.db2.gz SCNGOCBMUNWSJX-UHFFFAOYSA-N 0 0 407.800 4.718 50 0 HJAARN Cc1ccc(C)c(NC(=O)CSc2nnc(NC(=O)Nc3ccccc3)s2)c1 ZINC000004851553 559191166 /nfs/dbraw/zinc/19/11/66/559191166.db2.gz MHVIQNMTGGCMFE-UHFFFAOYSA-N 0 0 413.528 4.530 50 0 HJAARN Cc1ccc(NC(=O)CSc2nccn(-c3ccc(C)c(Cl)c3)c2=O)c(C)c1 ZINC000004853068 559191648 /nfs/dbraw/zinc/19/16/48/559191648.db2.gz CCOUZIQXLMQPJA-UHFFFAOYSA-N 0 0 413.930 4.542 50 0 HJAARN C[C@@]1(C(=O)Nc2ccc(Cl)cc2)CCC(=O)N1Cc1ccc(C(F)(F)F)cc1 ZINC000033434014 559191920 /nfs/dbraw/zinc/19/19/20/559191920.db2.gz RYUJEVPHCJOCBT-IBGZPJMESA-N 0 0 410.823 4.879 50 0 HJAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1C ZINC000004870659 559194212 /nfs/dbraw/zinc/19/42/12/559194212.db2.gz UMIUYFGHTSGQNR-UHFFFAOYSA-N 0 0 401.890 4.725 50 0 HJAARN Cc1ccc(Cn2c3sc4c(c3c(=O)n(-c3ccc(C)c(C)c3)c2=O)CCC4)cc1 ZINC000004877787 559195622 /nfs/dbraw/zinc/19/56/22/559195622.db2.gz CSWBRBSXAWQECD-UHFFFAOYSA-N 0 0 416.546 4.676 50 0 HJAARN CCOc1ccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3ccc(C)cc3)c2=O)cc1 ZINC000004877802 559195653 /nfs/dbraw/zinc/19/56/53/559195653.db2.gz BYNVLQGWKINOTF-UHFFFAOYSA-N 0 0 420.534 4.586 50 0 HJAARN COC(=O)c1sccc1NC(=S)N(CCc1ccccc1)Cc1ccccc1 ZINC000004878156 559195767 /nfs/dbraw/zinc/19/57/67/559195767.db2.gz LGMDHHIBXNIMKS-UHFFFAOYSA-N 0 0 410.564 4.976 50 0 HJAARN COc1ccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2ccccc2)cc1 ZINC000004890727 559198235 /nfs/dbraw/zinc/19/82/35/559198235.db2.gz SQFOTHUXARRVKB-UHFFFAOYSA-N 0 0 407.539 4.929 50 0 HJAARN Cc1nn(C(C)(C)C)c(OC(=O)C2CCCCC2)c1S(=O)(=O)c1ccc(C)cc1 ZINC000004907558 559200869 /nfs/dbraw/zinc/20/08/69/559200869.db2.gz SKZAZJJBMHPRJC-UHFFFAOYSA-N 0 0 418.559 4.573 50 0 HJAARN Cc1ccc(C)c(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1 ZINC000004910815 559202381 /nfs/dbraw/zinc/20/23/81/559202381.db2.gz DRQNGQQOSJTSHA-IBGZPJMESA-N 0 0 405.542 4.847 50 0 HJAARN COc1ccc(OC)c(Nc2cc(C(=O)NCc3ccccc3)c3ccccc3n2)c1 ZINC000004911202 559202616 /nfs/dbraw/zinc/20/26/16/559202616.db2.gz VZHOZYAWIZZDRD-UHFFFAOYSA-N 0 0 413.477 4.926 50 0 HJAARN CC1(C)CC(=O)C2(Cc3ccccc3N3CCN(c4cccc(Cl)c4)C[C@@H]32)C(=O)C1 ZINC000004914016 559203147 /nfs/dbraw/zinc/20/31/47/559203147.db2.gz UFCBDCIZTSMZSK-OAQYLSRUSA-N 0 0 422.956 4.536 50 0 HJAARN COc1cc(OC)c(N[C@@H]2c3ccccc3C(=O)N2c2ccc(C)cn2)cc1Cl ZINC000004917095 559204349 /nfs/dbraw/zinc/20/43/49/559204349.db2.gz BBMOBQFZSAXDGY-NRFANRHFSA-N 0 0 409.873 4.832 50 0 HJAARN C[C@@H](Sc1nnc(-c2ccco2)n1C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000004924067 559207665 /nfs/dbraw/zinc/20/76/65/559207665.db2.gz XQCBPJXQUUNUKI-OAHLLOKOSA-N 0 0 404.495 4.861 50 0 HJAARN O=C(NC1CCCCCC1)[C@H](CSCc1ccccc1)N1Cc2ccccc2C1=O ZINC000004935047 559210143 /nfs/dbraw/zinc/21/01/43/559210143.db2.gz FQZDREPMYJGXAJ-QHCPKHFHSA-N 0 0 422.594 4.783 50 0 HJAARN Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(C)c1CCC(=O)NCc1ccco1 ZINC000004935472 559210391 /nfs/dbraw/zinc/21/03/91/559210391.db2.gz SKSZZUPWOBUGPC-UHFFFAOYSA-N 0 0 408.889 4.509 50 0 HJAARN COc1cccc(NC(=O)CCc2c(C)nc3cc(-c4cccc(F)c4)nn3c2C)c1 ZINC000004935542 559210430 /nfs/dbraw/zinc/21/04/30/559210430.db2.gz BVDSMTWRWHRSLB-UHFFFAOYSA-N 0 0 418.472 4.732 50 0 HJAARN COc1ccc(C(=O)c2cn(Cc3ccc(F)cc3)c3ccc(F)cc3c2=O)cc1 ZINC000004937083 559212129 /nfs/dbraw/zinc/21/21/29/559212129.db2.gz GORGFJHTDFVKBL-UHFFFAOYSA-N 0 0 405.400 4.568 50 0 HJAARN O=C(CSc1nnc(-c2ccc(O)cc2)n1-c1ccccc1)OC1CCCCC1 ZINC000004952418 559215984 /nfs/dbraw/zinc/21/59/84/559215984.db2.gz XBUCOBHRCFSPEU-UHFFFAOYSA-N 0 0 409.511 4.608 50 0 HJAARN O=C(CCc1ccc(-c2ccccc2)o1)N1CCN(c2nsc3ccccc32)CC1 ZINC000033585038 559216247 /nfs/dbraw/zinc/21/62/47/559216247.db2.gz RGYYHCRKEHCPHT-UHFFFAOYSA-N 0 0 417.534 4.838 50 0 HJAARN Cc1ccc(-c2noc(CN(C(=O)c3cccc(Br)c3)C(C)C)n2)cc1 ZINC000004958704 559216412 /nfs/dbraw/zinc/21/64/12/559216412.db2.gz UEJBJAZXRPPTKE-UHFFFAOYSA-N 0 0 414.303 4.858 50 0 HJAARN C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1cccc(Oc2ccccc2)c1 ZINC000004966397 559218437 /nfs/dbraw/zinc/21/84/37/559218437.db2.gz OUBXWMSOJXKLRS-IBGZPJMESA-N 0 0 403.478 4.773 50 0 HJAARN Cc1ccc(C(=O)OCC(=O)c2cc(C)c(C)cc2C)cc1NC(=O)c1ccco1 ZINC000004996437 559226031 /nfs/dbraw/zinc/22/60/31/559226031.db2.gz NEAGYOIQFODHQS-UHFFFAOYSA-N 0 0 405.450 4.805 50 0 HJAARN Cc1cc2c(nc(SCC(=O)c3ccc(C)cc3)n(Cc3ccco3)c2=O)s1 ZINC000005000995 559226576 /nfs/dbraw/zinc/22/65/76/559226576.db2.gz QLPWDPLEHAAHIB-UHFFFAOYSA-N 0 0 410.520 4.691 50 0 HJAARN COc1ccc(C)cc1-n1c(=O)c2ccccc2nc1SCc1c(C)noc1C ZINC000005013498 559228166 /nfs/dbraw/zinc/22/81/66/559228166.db2.gz SGFILVATGDLWLN-UHFFFAOYSA-N 0 0 407.495 4.600 50 0 HJAARN COc1ccccc1CNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1 ZINC000005025861 559230191 /nfs/dbraw/zinc/23/01/91/559230191.db2.gz XYWKLPCQRJWMAJ-UHFFFAOYSA-N 0 0 411.914 4.894 50 0 HJAARN COc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2OC)cc1 ZINC000005035317 559232982 /nfs/dbraw/zinc/23/29/82/559232982.db2.gz VXHKLQNMBRPENE-UHFFFAOYSA-N 0 0 416.433 4.955 50 0 HJAARN COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2cccs2)c1 ZINC000005035349 559233048 /nfs/dbraw/zinc/23/30/48/559233048.db2.gz KCEPBJRHXAJCCK-UHFFFAOYSA-N 0 0 406.463 4.936 50 0 HJAARN COC(=O)Cc1c(C)c2cc(Cl)c(OCc3ccc(Cl)cc3)cc2oc1=O ZINC000005047139 559236705 /nfs/dbraw/zinc/23/67/05/559236705.db2.gz PWEXSLIPPHEHNR-UHFFFAOYSA-N 0 0 407.249 4.703 50 0 HJAARN COc1ccc(-c2nc(CSCC(=O)N[C@@H]3CCCC[C@@H]3C)c(C)o2)cc1OC ZINC000005057205 559237848 /nfs/dbraw/zinc/23/78/48/559237848.db2.gz KPGGIQCZPDSWRL-WMLDXEAASA-N 0 0 418.559 4.595 50 0 HJAARN CCCn1nc(NC(=O)c2cc(OC)cc(OC)c2)c2cc3cc(C)ccc3nc21 ZINC000005072292 559241586 /nfs/dbraw/zinc/24/15/86/559241586.db2.gz YAKVELUTEVMVCL-UHFFFAOYSA-N 0 0 404.470 4.572 50 0 HJAARN CCOc1ccc(CC(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CSC3)cc1 ZINC000005077383 559241916 /nfs/dbraw/zinc/24/19/16/559241916.db2.gz BPYLVOGOOFZEOV-UHFFFAOYSA-N 0 0 413.930 4.852 50 0 HJAARN O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)Nc1cccc(F)c1 ZINC000005079435 559241950 /nfs/dbraw/zinc/24/19/50/559241950.db2.gz SMWOAGNXCMOURZ-UHFFFAOYSA-N 0 0 411.816 4.506 50 0 HJAARN CCOc1ccc2nc(N3CCC(C(=O)N[C@H]4CCCC[C@H]4C)CC3)sc2c1 ZINC000005086140 559242901 /nfs/dbraw/zinc/24/29/01/559242901.db2.gz AVCPPLLNSKUJMQ-QAPCUYQASA-N 0 0 401.576 4.606 50 0 HJAARN Nc1c(C(=O)OCc2ccccc2)c2nc3ccccc3nc2n1Cc1cccs1 ZINC000005100510 559245677 /nfs/dbraw/zinc/24/56/77/559245677.db2.gz DPABTXZXPBXHFM-UHFFFAOYSA-N 0 0 414.490 4.634 50 0 HJAARN O=C(Cc1ccccc1)Nc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000005107109 559246067 /nfs/dbraw/zinc/24/60/67/559246067.db2.gz QTVGSANAZWMWOI-UHFFFAOYSA-N 0 0 414.417 4.595 50 0 HJAARN Cc1nc(-c2ccc(Cl)cc2)sc1CCNS(=O)(=O)c1ccc(C)cc1C ZINC000005108318 559246421 /nfs/dbraw/zinc/24/64/21/559246421.db2.gz QKIBFQNXSDMMOJ-UHFFFAOYSA-N 0 0 420.987 4.910 50 0 HJAARN Cc1ccc(C(=O)N/C(=C\c2ccc(C(C)C)cc2)C(=O)NCc2cccnc2)cc1 ZINC000005129657 559249304 /nfs/dbraw/zinc/24/93/04/559249304.db2.gz SKNLCKQPSUKTSC-IWIPYMOSSA-N 0 0 413.521 4.601 50 0 HJAARN COC(=O)c1cc2oc3ccccc3c2n1CC(=O)Nc1ccc(Cl)cc1F ZINC000005135092 559250343 /nfs/dbraw/zinc/25/03/43/559250343.db2.gz ARPKGBJVTDBHRS-UHFFFAOYSA-N 0 0 400.793 4.605 50 0 HJAARN CCOc1cccc2sc(N(Cc3cccnc3)C(=O)Cc3ccccc3)nc21 ZINC000005142163 559251828 /nfs/dbraw/zinc/25/18/28/559251828.db2.gz NYORNANSFYINPM-UHFFFAOYSA-N 0 0 403.507 4.866 50 0 HJAARN CCN(C)C(=O)c1cc2scc(Br)c2n1Cc1ccc(F)c(F)c1 ZINC000037587564 559255510 /nfs/dbraw/zinc/25/55/10/559255510.db2.gz HNLKJDSGIDIWQG-UHFFFAOYSA-N 0 0 413.287 4.884 50 0 HJAARN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1nc2ccc(F)cc2s1 ZINC000011807641 559260155 /nfs/dbraw/zinc/26/01/55/559260155.db2.gz LBGVDZWEAJMQFZ-UHFFFAOYSA-N 0 0 403.385 4.940 50 0 HJAARN CC(=O)N[C@@H](CC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1)c1ccc(C)cc1 ZINC000011811937 559260255 /nfs/dbraw/zinc/26/02/55/559260255.db2.gz XBUBXKDBVKIERO-FQEVSTJZSA-N 0 0 418.522 4.806 50 0 HJAARN Cn1c2c(ccc3ccccc23)s/c1=N/C(=O)c1ccc(Br)s1 ZINC000011847358 559261604 /nfs/dbraw/zinc/26/16/04/559261604.db2.gz BVDSUYIKRJJKOB-HTXNQAPBSA-N 0 0 403.326 4.958 50 0 HJAARN CN(Cc1coc(-c2ccc(F)cc2)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000248082414 559261888 /nfs/dbraw/zinc/26/18/88/559261888.db2.gz CXNOADGZESBRKN-RTBURBONSA-N 0 0 407.272 4.878 50 0 HJAARN COc1ccc(OC)c(-c2nnc(NC(=O)CSc3ccc(Cl)cc3)s2)c1 ZINC000011852402 559262050 /nfs/dbraw/zinc/26/20/50/559262050.db2.gz ZYBKNRVFZMNOSJ-UHFFFAOYSA-N 0 0 421.931 4.607 50 0 HJAARN COc1ccc(NC(=O)c2nc(-c3c(F)cccc3OC)sc2C)c(OC)c1 ZINC000011866051 559264001 /nfs/dbraw/zinc/26/40/01/559264001.db2.gz JUDKMYGRYIXXGJ-UHFFFAOYSA-N 0 0 402.447 4.536 50 0 HJAARN COc1ccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2cccc(OC)c2)cc1 ZINC000100778090 559265563 /nfs/dbraw/zinc/26/55/63/559265563.db2.gz RYFUFGQVDDUNKK-UHFFFAOYSA-N 0 0 401.418 4.730 50 0 biogenic HJAARN CCOc1ccccc1NC(=O)CSc1nnc2cc(C)c3cccc(C)c3n21 ZINC000011907907 559266927 /nfs/dbraw/zinc/26/69/27/559266927.db2.gz OWISEEAZCXWCAE-UHFFFAOYSA-N 0 0 406.511 4.629 50 0 HJAARN CCOc1ccccc1C(=O)Nc1nc(-c2ccc(Br)cc2)ns1 ZINC000011916096 559267209 /nfs/dbraw/zinc/26/72/09/559267209.db2.gz BFCYSBIACIWGFI-UHFFFAOYSA-N 0 0 404.289 4.619 50 0 HJAARN Cc1cc2sc(NC(=O)c3cc(-c4ccc5c(c4)OCCO5)on3)nc2c(C)c1 ZINC000011916008 559267244 /nfs/dbraw/zinc/26/72/44/559267244.db2.gz NFCGNMHHZGISGG-UHFFFAOYSA-N 0 0 407.451 4.592 50 0 HJAARN CCc1sc(C(=O)N2CC=C(c3c(OC)cc(OC)cc3OC)CC2)cc1C ZINC000011918300 559268078 /nfs/dbraw/zinc/26/80/78/559268078.db2.gz RESLFDSFYZBWET-UHFFFAOYSA-N 0 0 401.528 4.574 50 0 HJAARN COc1ccc(-c2cc(NC(=O)CCNC(=O)Nc3ccccc3)ccc2OC)cc1 ZINC000011962010 559269386 /nfs/dbraw/zinc/26/93/86/559269386.db2.gz BKKOZCNWHDIJNN-UHFFFAOYSA-N 0 0 419.481 4.521 50 0 HJAARN O=C1[C@@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000136461247 559277116 /nfs/dbraw/zinc/27/71/16/559277116.db2.gz GOYZKYVQWGNNAH-PCCBWWKXSA-N 0 0 422.843 4.530 50 0 HJAARN Cc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4C)c(O)c3ON2c2ccccc2)cc1 ZINC000137720033 559280918 /nfs/dbraw/zinc/28/09/18/559280918.db2.gz QBVBZOBHRWSSFE-RBZQAINGSA-N 0 0 412.489 4.663 50 0 HJAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)/C=C/c1cccc(F)c1 ZINC000006309843 559288156 /nfs/dbraw/zinc/28/81/56/559288156.db2.gz SVKUAMJERIRBQJ-VMPITWQZSA-N 0 0 414.786 4.608 50 0 HJAARN CCCCOc1ccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OC ZINC000005176374 559288747 /nfs/dbraw/zinc/28/87/47/559288747.db2.gz YJUQPUHTFZALFR-AAJFVQQISA-N 0 0 406.526 4.511 50 0 HJAARN CCc1cccc2sc(N3CCN(C(=O)c4cccc5ccccc54)CC3)nc21 ZINC000005181618 559289756 /nfs/dbraw/zinc/28/97/56/559289756.db2.gz RIGCAEXASVBPCX-UHFFFAOYSA-N 0 0 401.535 4.974 50 0 HJAARN C[C@@H](Sc1nc2c(n1-c1ccccc1)CCCC2)c1nc2ccccc2c(=O)[nH]1 ZINC000005184663 559290545 /nfs/dbraw/zinc/29/05/45/559290545.db2.gz OPCAVQMDCZKSKH-OAHLLOKOSA-N 0 0 402.523 4.841 50 0 HJAARN COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)c(OC)c2)c1 ZINC000005186164 559290770 /nfs/dbraw/zinc/29/07/70/559290770.db2.gz ICSNMCWEKQKFEQ-PXDATVDWSA-N 0 0 416.477 4.955 50 0 HJAARN O=C(Cn1cnc2ccccc21)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000005191002 559291427 /nfs/dbraw/zinc/29/14/27/559291427.db2.gz LLFKSOFZSITEDV-FQEVSTJZSA-N 0 0 404.857 4.661 50 0 HJAARN CC(C)(C)c1ccc(-c2nc3ccccc3c(=O)n2NC(=O)Cc2cccs2)cc1 ZINC000005199323 559292482 /nfs/dbraw/zinc/29/24/82/559292482.db2.gz YMSXFDBIUIKDHK-UHFFFAOYSA-N 0 0 417.534 4.735 50 0 HJAARN Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CCC(C)CC4)cc3N2)cc1 ZINC000005200889 560537777 /nfs/dbraw/zinc/53/77/77/560537777.db2.gz KEBRDWQRTQDEBP-WMZOPIPTSA-N 0 0 406.452 4.724 50 0 HJAARN CC(C)OCCCn1c(N)c(-c2nc3ccccc3n2C)c2nc3ccccc3nc21 ZINC000005205182 560539174 /nfs/dbraw/zinc/53/91/74/560539174.db2.gz ZFWUSDBFHINNLC-UHFFFAOYSA-N 0 0 414.513 4.536 50 0 HJAARN CC[C@H](NC(=O)c1ccccc1)c1nc(-c2cc3cccc(OC)c3oc2=O)cs1 ZINC000078822972 560540905 /nfs/dbraw/zinc/54/09/05/560540905.db2.gz BGQFFZOHGDZQQZ-KRWDZBQOSA-N 0 0 420.490 4.806 50 0 HJAARN CCCCC(=O)N(c1ccc(OC)cc1)S(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000005234703 560548104 /nfs/dbraw/zinc/54/81/04/560548104.db2.gz ANTKJMKKDNAGQY-UHFFFAOYSA-N 0 0 403.544 4.841 50 0 HJAARN Cc1cc(NC(=O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)no1 ZINC000005255492 560552341 /nfs/dbraw/zinc/55/23/41/560552341.db2.gz GZEDLUSOZWYAPL-UHFFFAOYSA-N 0 0 402.526 4.894 50 0 HJAARN CCn1ncc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)c1C ZINC000147163625 560556178 /nfs/dbraw/zinc/55/61/78/560556178.db2.gz VKRFPVDWWWRUGS-CBLDFXQLSA-N 0 0 410.602 4.889 50 0 HJAARN CC[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(OC)c(OC)c(OC)c2)N3)C1 ZINC000006358119 560558939 /nfs/dbraw/zinc/55/89/39/560558939.db2.gz NEQDRWYRWLPCSQ-NSPYISDASA-N 0 0 402.516 4.718 50 0 HJAARN CCCCC(=O)N1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccccc1 ZINC000002471427 560560003 /nfs/dbraw/zinc/56/00/03/560560003.db2.gz SLSSUTJEYUADIM-FQEVSTJZSA-N 0 0 401.304 4.509 50 0 HJAARN CCc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1F)N(c1cc(C)on1)C3=O ZINC000005272632 560561095 /nfs/dbraw/zinc/56/10/95/560561095.db2.gz FFEFKLPLJASXHZ-FQEVSTJZSA-N 0 0 404.397 4.541 50 0 HJAARN CC1(C)Cc2c3c(N)c(C(=O)Nc4ccccc4)sc3nc(N3CCCC3)c2CO1 ZINC000005304365 560562933 /nfs/dbraw/zinc/56/29/33/560562933.db2.gz UBBHQNULKMIQQI-UHFFFAOYSA-N 0 0 422.554 4.582 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O ZINC000005304465 560563027 /nfs/dbraw/zinc/56/30/27/560563027.db2.gz ORTAXIJRALFCTB-UHFFFAOYSA-N 0 0 403.869 4.659 50 0 HJAARN CCc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(F)c1)N(c1cc(C)on1)C3=O ZINC000005307877 560563687 /nfs/dbraw/zinc/56/36/87/560563687.db2.gz GGYJVMYOHFPBIR-FQEVSTJZSA-N 0 0 404.397 4.541 50 0 HJAARN Cc1ccc(-c2nnc(S[C@H](C)C(=O)N3CCCC3)nc2-c2ccc(C)cc2)cc1 ZINC000005358274 560569621 /nfs/dbraw/zinc/56/96/21/560569621.db2.gz WNUYOXVVPFMWIM-GOSISDBHSA-N 0 0 418.566 4.925 50 0 HJAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCCOC(C)C)occ3C(C)(C)C ZINC000005345495 560569931 /nfs/dbraw/zinc/56/99/31/560569931.db2.gz GXBXEXUZZJPENU-UHFFFAOYSA-N 0 0 413.514 4.619 50 0 HJAARN COc1ccc(NC(=O)COc2ccc3ccccc3c2Br)c(OC)c1 ZINC000005346963 560570576 /nfs/dbraw/zinc/57/05/76/560570576.db2.gz LKTPBVLIBLBNAV-UHFFFAOYSA-N 0 0 416.271 4.637 50 0 HJAARN C[C@H](NC(=O)[C@H](C)Sc1nnc(-c2cccc(Cl)c2)o1)c1ccc(F)cc1 ZINC000005391949 560582482 /nfs/dbraw/zinc/58/24/82/560582482.db2.gz ICNONBCZPBBGCC-RYUDHWBXSA-N 0 0 405.882 4.887 50 0 HJAARN CC(=O)[C@@H](SC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N(C)C ZINC000005413840 560584405 /nfs/dbraw/zinc/58/44/05/560584405.db2.gz KLRYICJDAASNKW-HSZRJFAPSA-N 0 0 403.547 4.758 50 0 HJAARN O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)N1CCC(Cc2ccccc2)CC1 ZINC000005416013 560584649 /nfs/dbraw/zinc/58/46/49/560584649.db2.gz CILDCUUAVSNLSN-UHFFFAOYSA-N 0 0 423.528 4.662 50 0 HJAARN CN(C)c1cccc(C(=O)OCC(=O)Nc2ccccc2Sc2ccccc2)c1 ZINC000002617248 560585762 /nfs/dbraw/zinc/58/57/62/560585762.db2.gz VAMMCJXAOIUTKH-UHFFFAOYSA-N 0 0 406.507 4.699 50 0 HJAARN O=C(C[C@@H]1Nc2cc(Cl)ccc2N(Cc2ccccc2)C1=O)Nc1ccc(F)cc1 ZINC000002633273 560586526 /nfs/dbraw/zinc/58/65/26/560586526.db2.gz IYMNHKJSOCISRM-FQEVSTJZSA-N 0 0 423.875 4.835 50 0 HJAARN CCc1ccc(NC(=O)[C@@H](C)OC(=O)CSc2cc(C)c3ccccc3n2)cc1 ZINC000003222916 560589759 /nfs/dbraw/zinc/58/97/59/560589759.db2.gz JEGBEGOVNSFASA-MRXNPFEDSA-N 0 0 408.523 4.768 50 0 HJAARN O=C(/C=C/c1ccc(Br)o1)OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000003230175 560589974 /nfs/dbraw/zinc/58/99/74/560589974.db2.gz VVSADRYRGGGRNJ-DUXPYHPUSA-N 0 0 419.058 4.544 50 0 HJAARN COc1cc(CCC(=O)Nc2ccc3nc(SC)sc3c2)cc(OC)c1OC ZINC000003236016 560590291 /nfs/dbraw/zinc/59/02/91/560590291.db2.gz GOASCWRRZOWPFO-UHFFFAOYSA-N 0 0 418.540 4.615 50 0 HJAARN O=C(CCCNC(=O)c1ccc(Cl)cc1)OCc1ccc(Cl)cc1Cl ZINC000003273726 560591138 /nfs/dbraw/zinc/59/11/38/560591138.db2.gz RXOOJZAOFMGVST-UHFFFAOYSA-N 0 0 400.689 4.900 50 0 HJAARN O=C(/C=C/c1cccc(C(F)(F)F)c1)OCC(=O)Nc1ccccc1OC(F)F ZINC000003285533 560591592 /nfs/dbraw/zinc/59/15/92/560591592.db2.gz TURXSFXLHFPSJQ-CMDGGOBGSA-N 0 0 415.314 4.502 50 0 HJAARN Cc1ccc(-c2csc(NC(=O)COC(=O)c3cccc(OC(F)F)c3)n2)cc1 ZINC000003293647 560592641 /nfs/dbraw/zinc/59/26/41/560592641.db2.gz BMGRFCVOMPRCAG-UHFFFAOYSA-N 0 0 418.421 4.515 50 0 HJAARN CCc1cccc(NC(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000003363869 560593046 /nfs/dbraw/zinc/59/30/46/560593046.db2.gz SYSFKAGMNIGBFO-UHFFFAOYSA-N 0 0 422.550 4.782 50 0 HJAARN Cc1ccc(NC(=O)[C@H](C)Sc2nnc(COc3ccccc3Cl)o2)cc1 ZINC000003364629 560593113 /nfs/dbraw/zinc/59/31/13/560593113.db2.gz KBUWEIBZTRHVES-ZDUSSCGKSA-N 0 0 403.891 4.730 50 0 HJAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)Nc1ccc(OCc2ccccc2)cc1 ZINC000003406630 560594290 /nfs/dbraw/zinc/59/42/90/560594290.db2.gz 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ZINC000005515975 560603929 /nfs/dbraw/zinc/60/39/29/560603929.db2.gz LSBMNNUTFOXTLU-OAQYLSRUSA-N 0 0 416.864 4.629 50 0 HJAARN COc1ccc(CSc2nc3ccccc3c(=O)n2CCCOC(C)C)cc1F ZINC000005568607 560616438 /nfs/dbraw/zinc/61/64/38/560616438.db2.gz SJELBNLZMCEJOC-UHFFFAOYSA-N 0 0 416.518 4.652 50 0 HJAARN Cc1cc(C)n(-c2nc3sc4c(c3c(NCc3ccco3)n2)CC(C)(C)OC4)n1 ZINC000005573708 560623271 /nfs/dbraw/zinc/62/32/71/560623271.db2.gz YCKAXPVFMZVTAJ-UHFFFAOYSA-N 0 0 409.515 4.550 50 0 HJAARN O=C(CSc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc2c(c1)OCCO2 ZINC000005583925 560625646 /nfs/dbraw/zinc/62/56/46/560625646.db2.gz YUDKCYTYVYLGPB-UHFFFAOYSA-N 0 0 403.809 4.861 50 0 HJAARN Cc1nn(-c2ccc(C)cc2)c2ncc(C(=O)NCc3ccc(C)cc3)c(Cl)c12 ZINC000005314501 560625877 /nfs/dbraw/zinc/62/58/77/560625877.db2.gz SYXNIRPOMLVRAP-UHFFFAOYSA-N 0 0 404.901 4.929 50 0 HJAARN Cc1ccc(OC[C@@H](O)Cn2c(COc3cccc(C)c3)nc3ccccc32)cc1 ZINC000005588842 560627110 /nfs/dbraw/zinc/62/71/10/560627110.db2.gz HVKAYTICWFUEKN-FQEVSTJZSA-N 0 0 402.494 4.672 50 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PXVWUDVTKJICNL-JEOXALJRSA-N 0 0 424.482 4.777 50 0 HJAARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3ccc(OC)cc3)C2)cc1 ZINC000102751377 560825566 /nfs/dbraw/zinc/82/55/66/560825566.db2.gz QHGRGAQCABWDTJ-BTYIYWSLSA-N 0 0 418.453 4.716 50 0 HJAARN COc1ccc(-c2cc(-c3ccc(OC)cc3)n([C@H]3C(=O)Nc4ccccc43)n2)cc1 ZINC000103018994 560836791 /nfs/dbraw/zinc/83/67/91/560836791.db2.gz BEMQYFVWORCCOB-XMMPIXPASA-N 0 0 411.461 4.776 50 0 HJAARN CCOC(=O)C(C=Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)C(=O)OCC ZINC000103550618 560843047 /nfs/dbraw/zinc/84/30/47/560843047.db2.gz STRSPVQBVBQQBS-UHFFFAOYSA-N 0 0 422.506 4.899 50 0 HJAARN C[C@@H]1CCC[C@H](NC(=O)c2cn(-c3ccc(F)cc3F)c(=O)c3ccccc23)[C@H]1C ZINC000103901156 560844915 /nfs/dbraw/zinc/84/49/15/560844915.db2.gz JUEMYTNVESOTIR-WIEQDCTASA-N 0 0 410.464 4.823 50 0 HJAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)Nc1ccc(Cl)cc1C ZINC000014492846 560846226 /nfs/dbraw/zinc/84/62/26/560846226.db2.gz RKUMHVJOTLVJFU-INIZCTEOSA-N 0 0 420.962 4.772 50 0 HJAARN O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@H](c2ccc(O)cc2)N1c1ccc(F)cc1 ZINC000009211540 560848407 /nfs/dbraw/zinc/84/84/07/560848407.db2.gz OLNTVTPDXPETLC-VJBWXMMDSA-N 0 0 409.432 4.888 50 0 HJAARN O=C(NCc1cccnc1)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000017440362 560868961 /nfs/dbraw/zinc/86/89/61/560868961.db2.gz RNDGKTZECUYMIV-UHFFFAOYSA-N 0 0 400.265 4.571 50 0 HJAARN CSc1ccc(C(=O)Nc2nc(-c3ccc([C@@H](C)NC(C)=O)cc3)cs2)cc1 ZINC000012047662 560887665 /nfs/dbraw/zinc/88/76/65/560887665.db2.gz VARZEUFJBBFYLD-CYBMUJFWSA-N 0 0 411.552 4.981 50 0 HJAARN CCCc1nnc(NC(=O)c2cc(-c3cccc(OC)c3)nc3ccccc32)s1 ZINC000012062678 560888020 /nfs/dbraw/zinc/88/80/20/560888020.db2.gz YZMXUSINGXBWDY-UHFFFAOYSA-N 0 0 404.495 4.967 50 0 HJAARN CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(Br)cc1 ZINC000012062888 560888128 /nfs/dbraw/zinc/88/81/28/560888128.db2.gz TUBBCUGKRLMKFI-GOSISDBHSA-N 0 0 412.283 4.819 50 0 HJAARN CCCOc1ccc(-c2nonc2NC(=O)COc2ccc(Cl)c(C)c2)cc1 ZINC000012062994 560888256 /nfs/dbraw/zinc/88/82/56/560888256.db2.gz DPWDETBQYNYCLE-UHFFFAOYSA-N 0 0 401.850 4.505 50 0 HJAARN Cc1ccc(-c2nccc(N3CCC[C@H](C(=O)N[C@H](C)c4ccc(C)cc4)C3)n2)cc1 ZINC000106329430 560890020 /nfs/dbraw/zinc/89/00/20/560890020.db2.gz FZXINYXLGSBQNE-OFNKIYASSA-N 0 0 414.553 4.854 50 0 HJAARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(=O)c(OCc2ccc(F)cc2)c[nH]1 ZINC000012168716 560890670 /nfs/dbraw/zinc/89/06/70/560890670.db2.gz HNHNNJPXYJUOEI-UHFFFAOYSA-N 0 0 422.334 4.656 50 0 HJAARN CCn1c2c(cccc2Cl)s/c1=N/C(=O)c1ccc(Br)s1 ZINC000012180923 560891031 /nfs/dbraw/zinc/89/10/31/560891031.db2.gz PDMXOUVDQUFAFM-SAPNQHFASA-N 0 0 401.738 4.941 50 0 HJAARN COc1ccc(C(=O)Nc2ccc(Nc3cc(OC(C)C)nc(C)n3)cc2)cc1OC ZINC000012225666 560894056 /nfs/dbraw/zinc/89/40/56/560894056.db2.gz NKGHHOMTOHLJKZ-UHFFFAOYSA-N 0 0 422.485 4.585 50 0 HJAARN CCOc1cc(Nc2ccc(NC(=O)c3ccc(F)cc3Cl)cc2)nc(C)n1 ZINC000012225471 560894070 /nfs/dbraw/zinc/89/40/70/560894070.db2.gz SBRQVBKBGAYLJZ-UHFFFAOYSA-N 0 0 400.841 4.972 50 0 HJAARN CC(=O)c1ccc(NC(=O)CCc2nnc(-c3cccc(C(F)(F)F)c3)o2)cc1 ZINC000012226920 560894983 /nfs/dbraw/zinc/89/49/83/560894983.db2.gz AWZMLPQRUPRCJD-UHFFFAOYSA-N 0 0 403.360 4.529 50 0 HJAARN C[C@H](c1ccc(Cl)cc1)N(CC(=O)N1c2ccccc2NC(=O)C[C@H]1C)C1CC1 ZINC000107089696 560895410 /nfs/dbraw/zinc/89/54/10/560895410.db2.gz SHUCLUKNTYWAJZ-HZPDHXFCSA-N 0 0 411.933 4.629 50 0 HJAARN COc1ccc(C(=O)Nc2nc(CSCc3ccc(F)cc3)cs2)cc1OC ZINC000012230200 560896089 /nfs/dbraw/zinc/89/60/89/560896089.db2.gz SLSIDKFWIGCKHK-UHFFFAOYSA-N 0 0 418.515 4.985 50 0 HJAARN O=C(Cc1ccccc1Cl)N1CCC(Cc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000169754716 568417690 /nfs/dbraw/zinc/41/76/90/568417690.db2.gz ARVHGZMUFINBFI-UHFFFAOYSA-N 0 0 413.880 4.553 50 0 HJAARN Cc1nn(C)c2nc(OCc3nc(-c4ccc(OC(C)C)cc4)oc3C)cc(C)c12 ZINC000045995344 568423194 /nfs/dbraw/zinc/42/31/94/568423194.db2.gz PZSVXBSNUUMMEF-UHFFFAOYSA-N 0 0 406.486 4.915 50 0 HJAARN Cc1cccc(-c2noc(-c3ccccc3OCC(=O)N[C@@H](C)c3ccccc3)n2)c1 ZINC000046012121 568423430 /nfs/dbraw/zinc/42/34/30/568423430.db2.gz ATLLCAKMSVJZGM-SFHVURJKSA-N 0 0 413.477 4.968 50 0 HJAARN Cc1ccc(CNC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)cc1 ZINC000046022232 568424076 /nfs/dbraw/zinc/42/40/76/568424076.db2.gz REJHCTBHNFEWOP-UHFFFAOYSA-N 0 0 411.596 4.968 50 0 HJAARN COc1ccccc1NC(=O)CSC1=NC2(CCCCC2)N=C1c1cccs1 ZINC000046022297 568424235 /nfs/dbraw/zinc/42/42/35/568424235.db2.gz BZWSJIXQWSILJB-UHFFFAOYSA-N 0 0 413.568 4.990 50 0 HJAARN Cc1ccc(C)c(NC(=O)[C@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)c1 ZINC000046044054 568425013 /nfs/dbraw/zinc/42/50/13/568425013.db2.gz WJXXAIUIVJGTOZ-KRWDZBQOSA-N 0 0 404.432 4.813 50 0 HJAARN Cc1ccc(Cn2cc(C(=O)c3cccc(Cl)c3)c(=O)c3ccc(C)nc32)cc1 ZINC000046053744 568425473 /nfs/dbraw/zinc/42/54/73/568425473.db2.gz GPBUJBZEQKAWLM-UHFFFAOYSA-N 0 0 402.881 4.946 50 0 HJAARN Cc1ccc2c(=O)c(C(=O)c3ccc(Cl)cc3)cn(Cc3ccccc3F)c2n1 ZINC000046053758 568425474 /nfs/dbraw/zinc/42/54/74/568425474.db2.gz ZQFVPJCGFMZQHI-UHFFFAOYSA-N 0 0 406.844 4.777 50 0 HJAARN CCOc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(C)c2)cc1 ZINC000046056812 568426058 /nfs/dbraw/zinc/42/60/58/568426058.db2.gz JUSFWCWLXMIWDP-FQEVSTJZSA-N 0 0 403.482 4.505 50 0 HJAARN CCN(c1ccc2sc(C(=O)Nc3cc(Cl)ccc3C)cc2c1)S(C)(=O)=O ZINC000046058203 568426347 /nfs/dbraw/zinc/42/63/47/568426347.db2.gz WGNULMALMUHGKA-UHFFFAOYSA-N 0 0 422.959 4.901 50 0 HJAARN CCN(c1ccc2sc(C(=O)NC3CCCCCCC3)cc2c1)S(C)(=O)=O ZINC000046058256 568426487 /nfs/dbraw/zinc/42/64/87/568426487.db2.gz AKMHEHVVXQNDLX-UHFFFAOYSA-N 0 0 408.589 4.530 50 0 HJAARN CCc1ccc(NC(=O)c2cc3cc(N(C)S(=O)(=O)CC)ccc3s2)cc1 ZINC000046058355 568426488 /nfs/dbraw/zinc/42/64/88/568426488.db2.gz CCMPKKSPLWHHPR-UHFFFAOYSA-N 0 0 402.541 4.502 50 0 HJAARN Cc1ccc2c(c1)Oc1cc(Cl)c(S(=O)(=O)N(C)C3CCCC3)cc1C(=O)N2 ZINC000046077695 568427428 /nfs/dbraw/zinc/42/74/28/568427428.db2.gz NAQHSUIITFOOCU-UHFFFAOYSA-N 0 0 420.918 4.570 50 0 HJAARN CC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)c1 ZINC000046079103 568427781 /nfs/dbraw/zinc/42/77/81/568427781.db2.gz JOILPASRSHHMMZ-UHFFFAOYSA-N 0 0 416.452 4.874 50 0 HJAARN O=C(Nc1nc(-c2ccco2)cs1)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000048234729 568432603 /nfs/dbraw/zinc/43/26/03/568432603.db2.gz KWXKMJBXTGBQRF-LBPRGKRZSA-N 0 0 422.432 4.672 50 0 HJAARN C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)o1 ZINC000048260992 568433612 /nfs/dbraw/zinc/43/36/12/568433612.db2.gz XQIREKVYCABCFS-RDTXWAMCSA-N 0 0 401.453 4.735 50 0 HJAARN COc1ccc2nc(C)c(C(=O)NCc3ccc(N(C)c4ccccc4)nc3)cc2c1 ZINC000048290905 568435363 /nfs/dbraw/zinc/43/53/63/568435363.db2.gz WAUBRHGFRTUQRH-UHFFFAOYSA-N 0 0 412.493 4.645 50 0 HJAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000048310218 568436513 /nfs/dbraw/zinc/43/65/13/568436513.db2.gz ZLBAFLHEKNJAPR-UHFFFAOYSA-N 0 0 410.449 4.512 50 0 HJAARN O=C(c1cccnc1N1CCCCC1)N1CCCc2cc(OC(F)(F)F)ccc21 ZINC000048301485 568437508 /nfs/dbraw/zinc/43/75/08/568437508.db2.gz DOLKBSKAWDLRCG-UHFFFAOYSA-N 0 0 405.420 4.564 50 0 HJAARN C[C@@H](NC(=O)Nc1cccc(CN2CCCC2=O)c1)c1ccc(Cl)cc1Cl ZINC000048332127 568440052 /nfs/dbraw/zinc/44/00/52/568440052.db2.gz CWQUGBGSSPGYNX-CYBMUJFWSA-N 0 0 406.313 4.999 50 0 HJAARN CN(C)c1ccc(CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)cc1 ZINC000048340187 568440269 /nfs/dbraw/zinc/44/02/69/568440269.db2.gz JFUDETYNVDKMLD-QGZVFWFLSA-N 0 0 400.573 4.544 50 0 HJAARN CSc1nc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)c2ccccn12 ZINC000048366852 568441973 /nfs/dbraw/zinc/44/19/73/568441973.db2.gz OIXDMVBSCOZNIG-OAQYLSRUSA-N 0 0 402.475 4.837 50 0 HJAARN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1cccc(Cl)c1C ZINC000048375388 568442444 /nfs/dbraw/zinc/44/24/44/568442444.db2.gz QJTBYPLRZLKKGS-QGZVFWFLSA-N 0 0 407.297 4.554 50 0 HJAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000048374756 568442572 /nfs/dbraw/zinc/44/25/72/568442572.db2.gz KDDHCYNAXCSMEL-AUUYWEPGSA-N 0 0 413.880 4.575 50 0 HJAARN COc1ccc(Br)c(C(=O)N(Cc2cccs2)Cc2cccn2C)c1 ZINC000049410030 568449797 /nfs/dbraw/zinc/44/97/97/568449797.db2.gz QCCLLDGOSYYXSP-UHFFFAOYSA-N 0 0 419.344 4.700 50 0 HJAARN CCc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)C12CCCCC2 ZINC000049545602 568451380 /nfs/dbraw/zinc/45/13/80/568451380.db2.gz WKICFQMMHXPUTN-HSZRJFAPSA-N 0 0 420.553 4.776 50 0 HJAARN Cn1c(=O)sc2c1N(c1ccccc1)C(=O)C[C@H]2c1ccc(Cl)cc1Cl ZINC000049548965 568451702 /nfs/dbraw/zinc/45/17/02/568451702.db2.gz ZGDDGVWQBKHHCX-AWEZNQCLSA-N 0 0 405.306 4.954 50 0 HJAARN Cn1c(=O)sc2c1N(c1cccc(OC(F)(F)F)c1)C(=O)C[C@H]2c1ccccc1 ZINC000049550110 568451826 /nfs/dbraw/zinc/45/18/26/568451826.db2.gz IQEYPSJBNKETJI-HNNXBMFYSA-N 0 0 420.412 4.546 50 0 HJAARN CCCc1nc(-n2cccc2)sc1C(=O)Nc1nnc(Cc2ccccc2)s1 ZINC000049549691 568451827 /nfs/dbraw/zinc/45/18/27/568451827.db2.gz NVNBGANSQVOXMV-UHFFFAOYSA-N 0 0 409.540 4.581 50 0 HJAARN CC1=NN(c2ccc(C(=O)NCc3cccnc3Oc3cccc(F)c3)cc2)CC1 ZINC000049748808 568453368 /nfs/dbraw/zinc/45/33/68/568453368.db2.gz QUWMQRGFPPSCJK-UHFFFAOYSA-N 0 0 404.445 4.529 50 0 HJAARN O=C(CSc1ccc(Br)cc1)Nc1ccc(Br)cc1 ZINC000000626808 568455997 /nfs/dbraw/zinc/45/59/97/568455997.db2.gz ZOHXNXRGHUAGFE-UHFFFAOYSA-N 0 0 401.123 4.942 50 0 HJAARN COc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccccc4)sc3n2)cc1OC ZINC000012250927 568456235 /nfs/dbraw/zinc/45/62/35/568456235.db2.gz BDQAWXUELJHGTG-UHFFFAOYSA-N 0 0 405.479 4.815 50 0 HJAARN Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3Br)o2)c1 ZINC000000858866 568457526 /nfs/dbraw/zinc/45/75/26/568457526.db2.gz HXHGTWGDMCGWAI-UHFFFAOYSA-N 0 0 404.289 4.538 50 0 HJAARN COc1ccc2c(C[NH2+]CCc3ccco3)c(C(=O)[O-])n(Cc3ccc(C)cc3)c2c1 ZINC000006794620 568459320 /nfs/dbraw/zinc/45/93/20/568459320.db2.gz IOBWJKDTCUMAIA-UHFFFAOYSA-N 0 0 418.493 4.630 50 0 HJAARN COc1ccc(OC)c(NC(=O)c2sc3nc(-c4ccc(F)cc4)ccc3c2N)c1 ZINC000000661610 568460244 /nfs/dbraw/zinc/46/02/44/568460244.db2.gz BECYHRNIPDTABW-UHFFFAOYSA-N 0 0 423.469 4.954 50 0 HJAARN COc1cc(/C=C2\N=C(c3ccccc3Br)OC2=O)ccc1OC(C)C ZINC000000662741 568460276 /nfs/dbraw/zinc/46/02/76/568460276.db2.gz KRZAEIRROQQKDZ-YBEGLDIGSA-N 0 0 416.271 4.589 50 0 HJAARN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccnc3Cl)c2C(N)=O)C1 ZINC000000671540 568461053 /nfs/dbraw/zinc/46/10/53/568461053.db2.gz GOSUHGZTTZFWTE-NSHDSACASA-N 0 0 405.951 4.689 50 0 HJAARN CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccnc3Cl)c2C(N)=O)C1 ZINC000000671541 568461111 /nfs/dbraw/zinc/46/11/11/568461111.db2.gz GOSUHGZTTZFWTE-LLVKDONJSA-N 0 0 405.951 4.689 50 0 HJAARN Cc1ccccc1-c1nc(OC(C)C)nn1-c1ccc(NC(=O)c2ccco2)cc1 ZINC000000696808 568462261 /nfs/dbraw/zinc/46/22/61/568462261.db2.gz COKOLVSKPKBGHS-UHFFFAOYSA-N 0 0 402.454 4.875 50 0 HJAARN CCCc1cc(=O)oc2cc(C)c3c(c12)O[C@@H](c1ccc(OC)cc1OC)CC3=O ZINC000012296401 568462713 /nfs/dbraw/zinc/46/27/13/568462713.db2.gz OZMCKIQIRHEUTO-LJQANCHMSA-N 0 0 408.450 4.778 50 0 biogenic HJAARN CSc1ccc(CCNC(=O)Nc2cn(CC(C)C)c(=O)c3ccccc23)cc1 ZINC000007001166 568466583 /nfs/dbraw/zinc/46/65/83/568466583.db2.gz CDGFXTZOONIPDO-UHFFFAOYSA-N 0 0 409.555 4.744 50 0 HJAARN CC(C)c1noc([C@@H](C)Sc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)n1 ZINC000024835736 568470002 /nfs/dbraw/zinc/47/00/02/568470002.db2.gz CUBKSFAZSFMWOV-CYBMUJFWSA-N 0 0 418.954 4.881 50 0 HJAARN COc1ccc(S(=O)(=O)c2c(C)c(C)n(CC(C)C)c2NC(=O)C(C)(C)C)cc1 ZINC000012322133 568470815 /nfs/dbraw/zinc/47/08/15/568470815.db2.gz PZGGFWQPZUPNMV-UHFFFAOYSA-N 0 0 420.575 4.587 50 0 HJAARN COc1ccc(NC(=O)c2sc(-c3c(F)cccc3OC)nc2C)c(OC)c1 ZINC000012322180 568470828 /nfs/dbraw/zinc/47/08/28/568470828.db2.gz GBAVRCZJOCXPHV-UHFFFAOYSA-N 0 0 402.447 4.536 50 0 HJAARN CC(C)c1nc2oc3c(ncn(Cc4ccccc4F)c3=O)c2c2c1COC(C)(C)C2 ZINC000012324997 568471596 /nfs/dbraw/zinc/47/15/96/568471596.db2.gz FQLICPBXZNOEAR-UHFFFAOYSA-N 0 0 421.472 4.700 50 0 HJAARN CCOC(=O)c1cc2c3ccccc3n(C)c2nc1N1CCC[C@@H](C(F)(F)F)C1 ZINC000022025142 568473468 /nfs/dbraw/zinc/47/34/68/568473468.db2.gz PTKBWROYLVXLFP-CYBMUJFWSA-N 0 0 405.420 4.682 50 0 HJAARN CCCN1c2ccc(C)cc2[C@H](Cc2nc3ccccc3c(=O)n2-c2ccccc2)C1=O ZINC000000798137 568482986 /nfs/dbraw/zinc/48/29/86/568482986.db2.gz GVNYBCABIUDOPO-QFIPXVFZSA-N 0 0 423.516 4.777 50 0 HJAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1 ZINC000000798524 568483098 /nfs/dbraw/zinc/48/30/98/568483098.db2.gz FAOMYKOXMLPKNA-UHFFFAOYSA-N 0 0 404.495 4.626 50 0 HJAARN O=C(Nc1ccccc1)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1 ZINC000000799848 568483619 /nfs/dbraw/zinc/48/36/19/568483619.db2.gz XTDOFHUEHCAISP-HMMYKYKNSA-N 0 0 421.294 4.859 50 0 HJAARN Nc1c(C(=O)c2ccc3c(c2)OCO3)sc2nc(C3CC3)cc(C(F)(F)F)c12 ZINC000000804092 568486515 /nfs/dbraw/zinc/48/65/15/568486515.db2.gz ONKLLGQNNOLFRK-UHFFFAOYSA-N 0 0 406.385 4.734 50 0 HJAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccc(OC(F)(F)F)cc1)CC3 ZINC000604418722 568492938 /nfs/dbraw/zinc/49/29/38/568492938.db2.gz QARNJBMZOFWDNM-UHFFFAOYSA-N 0 0 405.376 4.665 50 0 HJAARN Cc1cc(C(=O)COc2ccc(N3CCCC3=O)cc2)c(C)n1Cc1cccs1 ZINC000008185259 568493533 /nfs/dbraw/zinc/49/35/33/568493533.db2.gz ZHGCQNNVPQKLGD-UHFFFAOYSA-N 0 0 408.523 4.603 50 0 HJAARN COc1ccc(Br)c(C(=O)NCCc2ccc(-c3ccoc3)s2)c1 ZINC000390830244 568494574 /nfs/dbraw/zinc/49/45/74/568494574.db2.gz JRLVDPLBELBVAA-UHFFFAOYSA-N 0 0 406.301 4.752 50 0 HJAARN CC(=O)NCCCc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)cc1 ZINC000008324296 568497977 /nfs/dbraw/zinc/49/79/77/568497977.db2.gz WFXGJWSDEZVBHK-UHFFFAOYSA-N 0 0 419.550 4.894 50 0 HJAARN COC(=O)CN1C(C)=Nc2ccc(Br)cc2[C@@H]1c1ccccc1Cl ZINC000000831828 568508089 /nfs/dbraw/zinc/50/80/89/568508089.db2.gz JFJDDFYRSYRPDO-SFHVURJKSA-N 0 0 407.695 4.730 50 0 HJAARN CCCCn1nc(C)c(/C=C/C(=O)N(CC)Cc2ccc(OC)c(OC)c2)c1Cl ZINC000023325923 568509573 /nfs/dbraw/zinc/50/95/73/568509573.db2.gz BBYAXHRMUQOEFJ-ZRDIBKRKSA-N 0 0 419.953 4.724 50 0 HJAARN Cc1nn(-c2ccccc2)nc1C(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000032996028 568510634 /nfs/dbraw/zinc/51/06/34/568510634.db2.gz TYOULMFBPWFYAL-JOCHJYFZSA-N 0 0 421.504 4.619 50 0 HJAARN Cc1oc(-c2ccc(C)cc2)nc1CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000033085149 568511096 /nfs/dbraw/zinc/51/10/96/568511096.db2.gz IRZDVTOFWAEXMG-UHFFFAOYSA-N 0 0 424.932 4.962 50 0 HJAARN Cc1ccc(NC(=O)[C@H](C)Sc2ccc(=O)n(-c3ccc(C)c(C)c3)n2)c(C)c1 ZINC000033128095 568511197 /nfs/dbraw/zinc/51/11/97/568511197.db2.gz ZGCDLEVOIBXAHH-SFHVURJKSA-N 0 0 407.539 4.585 50 0 HJAARN CCc1nc(-c2ccc(-n3cc(C(=O)Nc4c(C)cc(C)cc4C)c(C)n3)cc2)no1 ZINC000033258537 568512805 /nfs/dbraw/zinc/51/28/05/568512805.db2.gz GPXXISOUKAMNPC-UHFFFAOYSA-N 0 0 415.497 4.971 50 0 HJAARN C[C@@H]1CCCN(C(=O)COc2ccccc2-c2noc(-c3ccc(Cl)cc3)n2)C1 ZINC000033325247 568513918 /nfs/dbraw/zinc/51/39/18/568513918.db2.gz ZDMWQPXBPWQBHU-OAHLLOKOSA-N 0 0 411.889 4.694 50 0 HJAARN CCC(CC)C(=O)NCCN1C(=O)S/C(=C/c2ccc(C(C)(C)C)cc2)C1=O ZINC000033502506 568515034 /nfs/dbraw/zinc/51/50/34/568515034.db2.gz ZKRCVAWCIVNSMQ-NBVRZTHBSA-N 0 0 402.560 4.573 50 0 HJAARN CC1C[C@H](C)N(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)[C@@H](C)C1 ZINC000222404376 568515336 /nfs/dbraw/zinc/51/53/36/568515336.db2.gz ZKWJNGGHUBLVSR-WSMBLCCSSA-N 0 0 410.440 4.786 50 0 HJAARN COc1ccc(C2=NCc3nnc(CSC)n3-c3ccc(Cl)cc32)cc1Cl ZINC000000838133 568515542 /nfs/dbraw/zinc/51/55/42/568515542.db2.gz BBXXHKXXVFOSLK-UHFFFAOYSA-N 0 0 419.337 4.797 50 0 HJAARN O=C1N(Cc2ccccc2Cl)c2ccccc2[C@]1(O)[C@@H]1CCc2ccccc2C1=O ZINC000012377423 568551823 /nfs/dbraw/zinc/55/18/23/568551823.db2.gz ZHTXYUBDBDHKCN-NLFFAJNJSA-N 0 0 417.892 4.520 50 0 HJAARN Cc1c(-c2nsc(NC(=O)c3ccc(Cl)cc3)n2)nnn1-c1c(C)cccc1C ZINC000020132922 568589917 /nfs/dbraw/zinc/58/99/17/568589917.db2.gz OLLWDZGSTKZVKV-UHFFFAOYSA-N 0 0 424.917 4.617 50 0 HJAARN COc1cc(NS[C@]2(Cl)C(=O)c3ccccc3OC2(C)C)cc(OC)c1OC ZINC000020156380 568591024 /nfs/dbraw/zinc/59/10/24/568591024.db2.gz LIPFACNYCYLAJF-HXUWFJFHSA-N 0 0 423.918 4.762 50 0 HJAARN C[C@@H](NC(=O)c1ccccc1F)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000020288446 568597502 /nfs/dbraw/zinc/59/75/02/568597502.db2.gz PSTXPRDTIYBNSR-JPYJTQIMSA-N 0 0 423.557 4.569 50 0 HJAARN 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CCCN(CCc1nc(-c2ccccc2)no1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000096277267 568715887 /nfs/dbraw/zinc/71/58/87/568715887.db2.gz VBUQRGJLBZLOAM-UHFFFAOYSA-N 0 0 403.404 4.850 50 0 HJAARN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000229948160 568716013 /nfs/dbraw/zinc/71/60/13/568716013.db2.gz NCMXLZBQFZUUHH-BHDDXSALSA-N 0 0 418.880 4.700 50 0 HJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccccc1F ZINC000229993948 568716787 /nfs/dbraw/zinc/71/67/87/568716787.db2.gz HVUFVBBWSSEYOL-PWRODBHTSA-N 0 0 422.843 4.530 50 0 HJAARN Cc1cccc(NC(=O)Cn2c(=O)nc(-c3ccccc3F)c3cc(Cl)ccc32)c1 ZINC000012414516 568717093 /nfs/dbraw/zinc/71/70/93/568717093.db2.gz RIADVLBINXETBJ-UHFFFAOYSA-N 0 0 421.859 4.803 50 0 HJAARN CC[C@H](C)N(Cc1c(-c2ccccc2)nn(C)c1N(C)C)C(=O)c1ccc(C)cc1 ZINC000096279673 568717693 /nfs/dbraw/zinc/71/76/93/568717693.db2.gz TZGKHKISGCUSFQ-IBGZPJMESA-N 0 0 404.558 4.902 50 0 HJAARN CCOc1ccc(CN(Cc2nc(C(=O)N[C@H](C)CC)co2)[C@@H](C)C(C)C)cc1 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Cc1nn(-c2nc3ccccc3[nH]2)c2c1[C@@H](c1ccccc1C(F)(F)F)CC(=O)N2 ZINC000021660734 568735660 /nfs/dbraw/zinc/73/56/60/568735660.db2.gz FWZAFXISILMSOT-CYBMUJFWSA-N 0 0 411.387 4.550 50 0 HJAARN CCn1c(CCc2ccc(NS(=O)(=O)c3ccccc3)cc2)nc2ccccc21 ZINC000021664260 568736656 /nfs/dbraw/zinc/73/66/56/568736656.db2.gz QRVVNPARTIPXJK-UHFFFAOYSA-N 0 0 405.523 4.642 50 0 HJAARN O=C(NCc1ccco1)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 ZINC000096344048 568737152 /nfs/dbraw/zinc/73/71/52/568737152.db2.gz OGGPEVFESHSURA-QFIPXVFZSA-N 0 0 406.526 4.781 50 0 HJAARN COc1ccc(CNC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)C23CCCC3)cc1 ZINC000096344594 568737445 /nfs/dbraw/zinc/73/74/45/568737445.db2.gz CSOSKRIPFQNSPI-HSZRJFAPSA-N 0 0 420.553 4.520 50 0 HJAARN CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2cccc(F)c2)C12CCCC2 ZINC000096344630 568737468 /nfs/dbraw/zinc/73/74/68/568737468.db2.gz MZUSRTBGJMLTSY-QHCPKHFHSA-N 0 0 422.544 4.837 50 0 HJAARN Cc1cccn2c(=O)c3cc(C(=O)N4CCCC[C@@H]4c4ccccc4)sc3nc12 ZINC000096347315 568737853 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CCSC1=NC2(CCN(C(=O)Nc3cccc(C)c3)CC2)N=C1c1ccccc1 ZINC000096399271 568747767 /nfs/dbraw/zinc/74/77/67/568747767.db2.gz XISLFPNPEOSYEJ-UHFFFAOYSA-N 0 0 406.555 4.974 50 0 HJAARN O=S(=O)(Nc1ccc2nc(SCc3cccnc3)sc2c1)c1ccccc1 ZINC000096399449 568748012 /nfs/dbraw/zinc/74/80/12/568748012.db2.gz NMNQJHRYBFWXCE-UHFFFAOYSA-N 0 0 413.549 4.784 50 0 HJAARN COc1cccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3C(C)C)c1 ZINC000248157609 568748038 /nfs/dbraw/zinc/74/80/38/568748038.db2.gz DZEYFWGLHPABMK-QUCCMNQESA-N 0 0 401.304 4.983 50 0 HJAARN CCc1ccc(NC(=O)Nc2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc1 ZINC000021714003 568748710 /nfs/dbraw/zinc/74/87/10/568748710.db2.gz JFDFKSLKTQAKBV-UHFFFAOYSA-N 0 0 421.522 4.644 50 0 HJAARN O=C(CSc1nnc(CNc2ccc(F)cc2)n1-c1ccccc1)c1ccccc1 ZINC000000898718 568748820 /nfs/dbraw/zinc/74/88/20/568748820.db2.gz MDYIKSLGKXCFTB-UHFFFAOYSA-N 0 0 418.497 4.994 50 0 HJAARN O=C(COc1ccccc1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000021715483 568749697 /nfs/dbraw/zinc/74/96/97/568749697.db2.gz 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Cc1ccc(Oc2ccc(NC(=O)CCn3c(C)nc4ccccc4c3=O)cc2)cc1 ZINC000029756698 568828899 /nfs/dbraw/zinc/82/88/99/568828899.db2.gz PVEJEUMNYXIOQT-UHFFFAOYSA-N 0 0 413.477 4.834 50 0 HJAARN Cc1ncc(CO)c2cc(C(=O)Nc3ccccc3)/c(=N/c3cccc(Cl)c3)oc12 ZINC000002954913 568829609 /nfs/dbraw/zinc/82/96/09/568829609.db2.gz FZMZFMPMIJOYGT-VYIQYICTSA-N 0 0 419.868 4.767 50 0 HJAARN COc1cccc(CN(C)Cn2nc(Nc3ccccc3F)sc2=S)c1OC ZINC000057395310 568831566 /nfs/dbraw/zinc/83/15/66/568831566.db2.gz TXQFOQKSAJOILN-UHFFFAOYSA-N 0 0 420.535 4.663 50 0 HJAARN Cc1c2cc3c(c(C)c2oc(=O)c1Cc1ccccc1)OCN(Cc1cccnc1)C3 ZINC000057405808 568832832 /nfs/dbraw/zinc/83/28/32/568832832.db2.gz HMUBPVSNVRXSHA-UHFFFAOYSA-N 0 0 412.489 4.748 50 0 HJAARN COC(=O)c1c(NC(=S)N2c3ccccc3C[C@H]2C)sc2c1CC[C@@H](C)C2 ZINC000005986448 568834221 /nfs/dbraw/zinc/83/42/21/568834221.db2.gz MNFBQWVXAGLTSH-CHWSQXEVSA-N 0 0 400.569 4.808 50 0 HJAARN Cn1c2ccccc2c(C(=O)COC(=O)COc2ccccc2F)c1-c1ccccc1 ZINC000005989333 568834408 /nfs/dbraw/zinc/83/44/08/568834408.db2.gz SSFGMNHFEOCNSR-UHFFFAOYSA-N 0 0 417.436 4.789 50 0 HJAARN CCCn1c(=O)c2sccc2nc1SCC(=O)Nc1cccc(Cl)c1C ZINC000057425235 568834679 /nfs/dbraw/zinc/83/46/79/568834679.db2.gz GPCZNBPKPIXVDM-UHFFFAOYSA-N 0 0 407.948 4.561 50 0 HJAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCC(C)C)c(C)c1 ZINC000057426020 568834946 /nfs/dbraw/zinc/83/49/46/568834946.db2.gz RELYHUBOXSYSEU-UHFFFAOYSA-N 0 0 415.584 4.852 50 0 HJAARN CC(C)CCn1c(=O)c2sccc2nc1SCC(=O)Nc1cc(F)ccc1F ZINC000057426048 568834982 /nfs/dbraw/zinc/83/49/82/568834982.db2.gz ZIFKQLSPTCXLNZ-UHFFFAOYSA-N 0 0 423.510 4.513 50 0 HJAARN COc1ccc(/C=C\C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)cc1OC ZINC000006009270 568835054 /nfs/dbraw/zinc/83/50/54/568835054.db2.gz FYMOVPWFDGKRBV-YWEYNIOJSA-N 0 0 402.422 4.757 50 0 HJAARN CCCCn1c(SCC(=O)Nc2cccc(SC)c2)nc2ccsc2c1=O ZINC000057426395 568835295 /nfs/dbraw/zinc/83/52/95/568835295.db2.gz FJGDQMXGRVFVOZ-UHFFFAOYSA-N 0 0 419.597 4.711 50 0 HJAARN CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)NC3CCCC3)c2C1 ZINC000006022904 568835635 /nfs/dbraw/zinc/83/56/35/568835635.db2.gz LITHKIZDTWOXSS-INIZCTEOSA-N 0 0 408.542 4.601 50 0 HJAARN CCC(=O)c1ccc(OCC(=O)OCc2csc(-c3ccc(OC)cc3)n2)cc1 ZINC000006029443 568835866 /nfs/dbraw/zinc/83/58/66/568835866.db2.gz KHHCDQWVKOVGJJ-UHFFFAOYSA-N 0 0 411.479 4.534 50 0 HJAARN C[C@H]1CCN(C(=O)CSc2n[nH]c(-c3cccs3)n2)c2ccccc2S1 ZINC000006035349 568836091 /nfs/dbraw/zinc/83/60/91/568836091.db2.gz GMAZVOBLBNBODF-LBPRGKRZSA-N 0 0 402.570 4.543 50 0 HJAARN Cc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Cl)cc4)cc3n2)cc1 ZINC000001217972 568836527 /nfs/dbraw/zinc/83/65/27/568836527.db2.gz KLXDJUMFKKQENE-UHFFFAOYSA-N 0 0 406.873 4.708 50 0 HJAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Oc2ccccc2)cc1OC ZINC000003002908 568837021 /nfs/dbraw/zinc/83/70/21/568837021.db2.gz RMQDMIZVHSQGRR-UHFFFAOYSA-N 0 0 400.434 4.776 50 0 HJAARN O=S(=O)(c1ccccc1)N(Cc1ccc(Cl)c2cccnc12)c1nccs1 ZINC000031653423 568837532 /nfs/dbraw/zinc/83/75/32/568837532.db2.gz AKSPTIOMFBVPHX-UHFFFAOYSA-N 0 0 415.927 4.740 50 0 HJAARN CSc1cccc(NC(=O)c2ccc(Cl)cc2I)c1 ZINC000031663670 568837699 /nfs/dbraw/zinc/83/76/99/568837699.db2.gz AOJSWPOBZDWYLA-UHFFFAOYSA-N 0 0 403.672 4.919 50 0 HJAARN COc1ccc(-c2noc(CCC(=O)N(c3nc(C)cs3)c3ccccc3)n2)cc1 ZINC000012482656 568838625 /nfs/dbraw/zinc/83/86/25/568838625.db2.gz PIVJNOXBZVIXDK-UHFFFAOYSA-N 0 0 420.494 4.808 50 0 HJAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H](C)Oc1ccc(C)cc1 ZINC000012480933 568838642 /nfs/dbraw/zinc/83/86/42/568838642.db2.gz YCOBOPXFZFFFKC-CQSZACIVSA-N 0 0 409.313 4.556 50 0 HJAARN O=c1c2sc(=S)n(-c3ccccc3F)c2[nH]c(=S)n1-c1ccc(F)cc1 ZINC000003018939 568838931 /nfs/dbraw/zinc/83/89/31/568838931.db2.gz IBJQZCHFBXVOSI-UHFFFAOYSA-N 0 0 405.476 4.908 50 0 HJAARN CCc1nc2ccccc2n1CC(=O)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000012506834 568839455 /nfs/dbraw/zinc/83/94/55/568839455.db2.gz REJLBZCIQVDFPQ-IBGZPJMESA-N 0 0 404.539 4.962 50 0 HJAARN COc1ccccc1-n1cnn(CN(C)Cc2cccc(Cl)c2Cl)c1=S ZINC000012521828 568841702 /nfs/dbraw/zinc/84/17/02/568841702.db2.gz UXLQHDDLABWQOB-UHFFFAOYSA-N 0 0 409.342 4.808 50 0 HJAARN COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)Nc2ccc(OC)nc2)cc1 ZINC000012521982 568841761 /nfs/dbraw/zinc/84/17/61/568841761.db2.gz NXFYJLSULFASHG-UHFFFAOYSA-N 0 0 419.456 4.958 50 0 HJAARN CCCCNC(=O)c1cccc(-n2ccnc2SCC(=O)c2ccc(F)cc2)c1 ZINC000057486290 568842154 /nfs/dbraw/zinc/84/21/54/568842154.db2.gz FLGDMRIKHXSGPE-UHFFFAOYSA-N 0 0 411.502 4.516 50 0 HJAARN CCOC(=O)c1sc2nc(COc3c(Cl)cccc3Cl)nc(N)c2c1C ZINC000012522990 568842336 /nfs/dbraw/zinc/84/23/36/568842336.db2.gz LHBOVIGLUWYVML-UHFFFAOYSA-N 0 0 412.298 4.644 50 0 HJAARN Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)c(F)c1 ZINC000057486716 568842466 /nfs/dbraw/zinc/84/24/66/568842466.db2.gz AALFGKFACCNHLU-UHFFFAOYSA-N 0 0 410.836 4.945 50 0 HJAARN C[C@H](NC(=O)Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)c1ccccc1 ZINC000057487312 568843146 /nfs/dbraw/zinc/84/31/46/568843146.db2.gz YPRHHTJHNVGLLN-HNNXBMFYSA-N 0 0 406.873 4.736 50 0 HJAARN CCCCn1c2nc(-c3ccc4ccccc4c3)n(Cc3ccccc3)c2c(=O)[nH]c1=O ZINC000012531781 568844137 /nfs/dbraw/zinc/84/41/37/568844137.db2.gz WTPMZTORJJPQTK-UHFFFAOYSA-N 0 0 424.504 4.555 50 0 HJAARN O=C1[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3)N2C(=S)N1Cc1ccccc1 ZINC000002091370 568844313 /nfs/dbraw/zinc/84/43/13/568844313.db2.gz KQHVBWOSAYSHTI-ISKFKSNPSA-N 0 0 423.541 4.811 50 0 biogenic HJAARN O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)c1c[nH]c2ccccc12 ZINC000012534001 568844714 /nfs/dbraw/zinc/84/47/14/568844714.db2.gz MWEFMTPQFGMPSO-UHFFFAOYSA-N 0 0 417.538 4.714 50 0 HJAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)OCc1nc2ccccc2n1C(F)F ZINC000012535753 568845674 /nfs/dbraw/zinc/84/56/74/568845674.db2.gz QGHHPKSBSIDHIH-UHFFFAOYSA-N 0 0 424.329 4.543 50 0 HJAARN Cc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000003036160 568845746 /nfs/dbraw/zinc/84/57/46/568845746.db2.gz JJFMGVHAIVCGIS-XMMPIXPASA-N 0 0 424.972 4.936 50 0 HJAARN Cc1ccc([C@H]2C(=O)N(C3CCCCCC3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000003039181 568846106 /nfs/dbraw/zinc/84/61/06/568846106.db2.gz AGZQGCVFCOYZTB-DEOSSOPVSA-N 0 0 408.517 4.769 50 0 HJAARN Cc1ccc([C@@H]2C(=O)N(C3CCCCCC3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000003039183 568846156 /nfs/dbraw/zinc/84/61/56/568846156.db2.gz AGZQGCVFCOYZTB-XMMPIXPASA-N 0 0 408.517 4.769 50 0 HJAARN O=C1CN(C2CCCCCC2)C(=O)[C@@H](c2ccccc2F)N1CCc1ccccc1 ZINC000003039001 568846158 /nfs/dbraw/zinc/84/61/58/568846158.db2.gz PUIRKYGVSZRDBO-XMMPIXPASA-N 0 0 408.517 4.503 50 0 HJAARN Cc1cc(Sc2nnc([C@H](C)N3CCCCC3)n2-c2ccc(F)cc2)nc(C)n1 ZINC000012537624 568846212 /nfs/dbraw/zinc/84/62/12/568846212.db2.gz RLRPQPLQFGBXPA-HNNXBMFYSA-N 0 0 412.538 4.511 50 0 HJAARN Cc1ccc([C@@H]2C(=O)N(C3CCCC3)CC(=O)N2CCc2ccc(Cl)cc2)cc1 ZINC000003039844 568846293 /nfs/dbraw/zinc/84/62/93/568846293.db2.gz TYDQKKOJDLPVMR-HSZRJFAPSA-N 0 0 410.945 4.546 50 0 HJAARN COc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1OCc1ccncc1 ZINC000012537976 568846346 /nfs/dbraw/zinc/84/63/46/568846346.db2.gz CUGJTXCJNOEIQT-AWEZNQCLSA-N 0 0 409.511 4.503 50 0 HJAARN O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc21)NCc1ccc(F)cc1 ZINC000012539133 568846644 /nfs/dbraw/zinc/84/66/44/568846644.db2.gz UYFOHVVEVIMFAX-UHFFFAOYSA-N 0 0 420.465 4.576 50 0 HJAARN O=C(NCc1cccs1)c1cc(=O)n(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000003042518 568847942 /nfs/dbraw/zinc/84/79/42/568847942.db2.gz FIVRYMAYNZXELO-UHFFFAOYSA-N 0 0 408.910 4.695 50 0 HJAARN COc1ccccc1NC(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1 ZINC000003247100 568848299 /nfs/dbraw/zinc/84/82/99/568848299.db2.gz GYHYYZUMNXQQKW-UHFFFAOYSA-N 0 0 418.474 4.767 50 0 HJAARN COc1cc(CNC(=O)c2c[nH]nc2-c2ccccc2)ccc1OCc1ccccc1 ZINC000012541081 568848333 /nfs/dbraw/zinc/84/83/33/568848333.db2.gz QDVKGBVJZNBMFI-UHFFFAOYSA-N 0 0 413.477 4.594 50 0 HJAARN CCOC(=O)c1c(CC)c(C)sc1NC(=O)CSc1ncnc2sccc21 ZINC000003245944 568848518 /nfs/dbraw/zinc/84/85/18/568848518.db2.gz VFROFCXQRDPGGO-UHFFFAOYSA-N 0 0 421.569 4.531 50 0 HJAARN C[C@H](NC(=O)c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F)c1ccccc1 ZINC000003044706 568848576 /nfs/dbraw/zinc/84/85/76/568848576.db2.gz BSSAJMGOBFWEEW-LBPRGKRZSA-N 0 0 416.428 4.968 50 0 HJAARN O=C(NC1CCCCC1)[C@@H]1c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000003048387 568849607 /nfs/dbraw/zinc/84/96/07/568849607.db2.gz PXUXTQBEDIDWFY-IBGZPJMESA-N 0 0 402.416 4.856 50 0 HJAARN O=C(Nc1ccc(Nc2ccccc2)cc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000012545632 568850266 /nfs/dbraw/zinc/85/02/66/568850266.db2.gz QJAITCOKMLCKNG-QFIPXVFZSA-N 0 0 401.466 4.800 50 0 HJAARN CC(=O)Nc1cccc(Nc2nnc(SCC(=O)c3cc(C)ccc3C)s2)c1 ZINC000012546084 568850415 /nfs/dbraw/zinc/85/04/15/568850415.db2.gz KMWZGWWHTAXKJU-UHFFFAOYSA-N 0 0 412.540 4.832 50 0 HJAARN Cc1ccc(C(C)C)c(OC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c1 ZINC000003279591 568850777 /nfs/dbraw/zinc/85/07/77/568850777.db2.gz ATGQSUKBSKPOSS-UHFFFAOYSA-N 0 0 420.486 4.715 50 0 HJAARN Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccc(F)c(Cl)c2)c(=O)c1C ZINC000057528127 568851049 /nfs/dbraw/zinc/85/10/49/568851049.db2.gz MZXPQAXIWDFHAE-UHFFFAOYSA-N 0 0 420.271 4.612 50 0 HJAARN COc1ccc(CNC(=O)c2ccc(/C=C3/Sc4ccccc4NC3=O)cc2)cc1 ZINC000003054146 568851599 /nfs/dbraw/zinc/85/15/99/568851599.db2.gz PYFRTNMMCYGLPN-HYARGMPZSA-N 0 0 416.502 4.711 50 0 HJAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2)cc1 ZINC000003059240 568852183 /nfs/dbraw/zinc/85/21/83/568852183.db2.gz CGKMYNUGHHCXHU-UHFFFAOYSA-N 0 0 421.547 4.546 50 0 HJAARN O=C(NCc1ccc(F)cc1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000003064134 568853217 /nfs/dbraw/zinc/85/32/17/568853217.db2.gz OTCGMNFADQZRSD-MTJSOVHGSA-N 0 0 404.466 4.841 50 0 HJAARN COc1cccc(Nc2nn(CN3CCC[C@@H](C(F)(F)F)C3)c(=S)s2)c1 ZINC000012552150 568853941 /nfs/dbraw/zinc/85/39/41/568853941.db2.gz BSOFIQPENRBNNI-LLVKDONJSA-N 0 0 404.483 4.658 50 0 HJAARN COc1cccc(-n2ccnc2SCC(=O)N[C@@H](C)c2cccc(Cl)c2)c1 ZINC000012556734 568855765 /nfs/dbraw/zinc/85/57/65/568855765.db2.gz PHFDSDOAFJJRQR-AWEZNQCLSA-N 0 0 401.919 4.504 50 0 HJAARN CCOc1ccccc1Nc1nnc(SCC(=O)Nc2cccc(C)c2)s1 ZINC000003346908 568856184 /nfs/dbraw/zinc/85/61/84/568856184.db2.gz KFDLGJPKMJLUPH-UHFFFAOYSA-N 0 0 400.529 4.720 50 0 HJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@@H](c1nccn1C)c1ccc(F)cc1 ZINC000012559744 568857347 /nfs/dbraw/zinc/85/73/47/568857347.db2.gz HXYYVURFGKNUBK-KZULUSFZSA-N 0 0 422.287 4.539 50 0 HJAARN C[C@H]1Cc2ccccc2N1C(=O)CSc1n[nH]c(-c2cc(Cl)ccc2Cl)n1 ZINC000003377091 568857704 /nfs/dbraw/zinc/85/77/04/568857704.db2.gz XHFPKKXBCNXIPK-NSHDSACASA-N 0 0 419.337 4.848 50 0 HJAARN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(=O)n(Cc2ccc(F)c(F)c2)c1 ZINC000003134446 568857857 /nfs/dbraw/zinc/85/78/57/568857857.db2.gz CCEMARDBQSFOIG-UHFFFAOYSA-N 0 0 409.219 4.734 50 0 HJAARN O=C1CS[C@@H](c2nn(-c3ccccc3)cc2-c2ccccc2)N1Cc1ccco1 ZINC000003165890 568858949 /nfs/dbraw/zinc/85/89/49/568858949.db2.gz FFNBDJSCCINUMW-QHCPKHFHSA-N 0 0 401.491 4.907 50 0 HJAARN Cc1ccc(S(=O)(=O)N2CN(c3ccccc3C)c3nc4ccccc4nc32)cc1 ZINC000003164411 568858987 /nfs/dbraw/zinc/85/89/87/568858987.db2.gz OSTAUMHFIYIJEB-UHFFFAOYSA-N 0 0 416.506 4.551 50 0 HJAARN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2c(C)cc(C)cc2C)ccc1Cl ZINC000003433578 568859508 /nfs/dbraw/zinc/85/95/08/568859508.db2.gz UXJYYHBFTDVUHR-UHFFFAOYSA-N 0 0 408.951 4.548 50 0 HJAARN CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC)O[C@@H](C)C2 ZINC000012565261 568860039 /nfs/dbraw/zinc/86/00/39/568860039.db2.gz TZFYSLALCRFMIG-UONOGXRCSA-N 0 0 418.921 4.818 50 0 HJAARN O=C(CSc1nnc(NC2CC2)s1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000012567461 568860398 /nfs/dbraw/zinc/86/03/98/568860398.db2.gz KWVBSEKHUVBXSF-UHFFFAOYSA-N 0 0 420.579 4.705 50 0 HJAARN CC[C@H](C)c1ccc(NC(=O)COC(=O)Cc2ccc(Br)cc2)cc1 ZINC000003217737 568862947 /nfs/dbraw/zinc/86/29/47/568862947.db2.gz RMVSKQAKZRFLHU-AWEZNQCLSA-N 0 0 404.304 4.687 50 0 HJAARN Cc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1C ZINC000003219484 568863150 /nfs/dbraw/zinc/86/31/50/568863150.db2.gz LFNFBDUPLTUIHK-UHFFFAOYSA-N 0 0 421.880 4.983 50 0 HJAARN C[C@@H]1CCC[C@H](NC(=O)c2ccc(CS(=O)(=O)Cc3ccc(Cl)cc3)o2)[C@@H]1C ZINC000003587791 568863819 /nfs/dbraw/zinc/86/38/19/568863819.db2.gz DSZWODGZVXWMGJ-CLCXKQKWSA-N 0 0 423.962 4.603 50 0 HJAARN Cc1nc(COc2cccc(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)c2)cs1 ZINC000012581134 568864415 /nfs/dbraw/zinc/86/44/15/568864415.db2.gz AOPNCIKMSPZWBO-NRFANRHFSA-N 0 0 418.522 4.884 50 0 HJAARN O=C(COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc21)Nc1ccccc1F ZINC000003228611 568864575 /nfs/dbraw/zinc/86/45/75/568864575.db2.gz XZTNLAROCMFDNQ-UHFFFAOYSA-N 0 0 418.399 4.976 50 0 HJAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3ccc(C)cc3)N2C1=O ZINC000003636790 568865196 /nfs/dbraw/zinc/86/51/96/568865196.db2.gz GLKVUAJFDILJOY-TZIWHRDSSA-N 0 0 420.534 4.777 50 0 HJAARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2Cl)N2C(=O)CCSC2=N1 ZINC000003640215 568865480 /nfs/dbraw/zinc/86/54/80/568865480.db2.gz YBLGQGDGLYHSJZ-INIZCTEOSA-N 0 0 413.326 4.595 50 0 HJAARN O=C(COC(=O)c1cccc2ccccc21)Nc1ccc(Br)cc1F ZINC000003235570 568865531 /nfs/dbraw/zinc/86/55/31/568865531.db2.gz DZZORKLYWPZDGP-UHFFFAOYSA-N 0 0 402.219 4.537 50 0 HJAARN Cc1cc(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)c2ccccc2n1 ZINC000012584454 568865859 /nfs/dbraw/zinc/86/58/59/568865859.db2.gz NKPTVLWHGQPLAZ-UHFFFAOYSA-N 0 0 402.281 4.561 50 0 HJAARN Cc1cc(Cl)ccc1OCC(=O)OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000003239067 568866026 /nfs/dbraw/zinc/86/60/26/568866026.db2.gz MAOYIPPOEJFONN-UHFFFAOYSA-N 0 0 402.661 4.516 50 0 HJAARN O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21)NCc1ccco1 ZINC000003240690 568866416 /nfs/dbraw/zinc/86/64/16/568866416.db2.gz WFVKBVLFMFHHNG-UHFFFAOYSA-N 0 0 420.852 4.621 50 0 HJAARN COC(=O)CNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc21 ZINC000003241827 568866543 /nfs/dbraw/zinc/86/65/43/568866543.db2.gz FQSWZCAHLWOJFM-UHFFFAOYSA-N 0 0 423.683 4.765 50 0 HJAARN COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc(-c2nc(C)no2)cc1 ZINC000030476454 568866560 /nfs/dbraw/zinc/86/65/60/568866560.db2.gz MPINVSSLMKHZIP-UHFFFAOYSA-N 0 0 419.506 4.958 50 0 HJAARN 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Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(I)cc1 ZINC000004155774 568917180 /nfs/dbraw/zinc/91/71/80/568917180.db2.gz UPUNOYGHWFWPAU-LLVKDONJSA-N 0 0 415.658 4.659 50 0 HJAARN CCc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCn2nccc2C)cc1 ZINC000012701724 568917371 /nfs/dbraw/zinc/91/73/71/568917371.db2.gz YFCYHOIHCYCVBD-AREMUKBSSA-N 0 0 412.537 4.800 50 0 HJAARN O=C(Nc1ccccn1)c1cccc(NC(=O)c2cccc3c4c([nH]c32)CCCC4)c1 ZINC000116524515 568917980 /nfs/dbraw/zinc/91/79/80/568917980.db2.gz AZNQTNMUOUITFG-UHFFFAOYSA-N 0 0 410.477 4.946 50 0 HJAARN O=C(Cc1csc(-c2ccsc2)n1)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000031265800 568921134 /nfs/dbraw/zinc/92/11/34/568921134.db2.gz GEFJKWLVIHELHS-SFHVURJKSA-N 0 0 400.525 4.611 50 0 HJAARN CC(C)(C)NS(=O)(=O)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000001382331 568921798 /nfs/dbraw/zinc/92/17/98/568921798.db2.gz KRHZEIFGCXYWIE-UHFFFAOYSA-N 0 0 408.829 4.623 50 0 HJAARN O=S(=O)(N[C@@H]1CCCC[C@H]1Sc1nc2ccccc2o1)c1ccc(Cl)cc1 ZINC000003651242 568922639 /nfs/dbraw/zinc/92/26/39/568922639.db2.gz NKUWXLYFFBAEEK-SJLPKXTDSA-N 0 0 422.959 4.863 50 0 HJAARN O=C1CS[C@@]2(c3ccccc3N(Cc3ccccc3Cl)C2=O)N1c1ccccc1 ZINC000001387941 568922982 /nfs/dbraw/zinc/92/29/82/568922982.db2.gz XUWASTKRBJMTGT-HSZRJFAPSA-N 0 0 420.921 4.820 50 0 HJAARN Brc1ccc(Nc2c3c(nc4nc(-c5ccco5)nn42)CCCC3)cc1 ZINC000046022572 568924213 /nfs/dbraw/zinc/92/42/13/568924213.db2.gz GEIPWIKWMVOLDX-UHFFFAOYSA-N 0 0 410.275 4.769 50 0 HJAARN Cc1cccc2c1ncn(CCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl)c2=O ZINC000031337061 568924491 /nfs/dbraw/zinc/92/44/91/568924491.db2.gz HJYVVKZAELLHHI-AWEZNQCLSA-N 0 0 418.324 4.621 50 0 HJAARN COc1ccc(C(=O)Nc2cccc(COc3cccc(F)c3)c2)c(OC)c1OC ZINC000031398511 568925534 /nfs/dbraw/zinc/92/55/34/568925534.db2.gz FQFRFLMFLPDKPO-UHFFFAOYSA-N 0 0 411.429 4.683 50 0 HJAARN CCOc1ccc(-c2nc(CSCc3nnnn3-c3ccccc3)cs2)cc1 ZINC000031413010 568925675 /nfs/dbraw/zinc/92/56/75/568925675.db2.gz FHISMSIWWBTFFJ-UHFFFAOYSA-N 0 0 409.540 4.618 50 0 HJAARN CC(C)C(=O)N1CCC(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)CC1 ZINC000012739304 568926625 /nfs/dbraw/zinc/92/66/25/568926625.db2.gz IWLUSMHBTZTUTH-UHFFFAOYSA-N 0 0 411.571 4.522 50 0 HJAARN CN(Cn1nc(-c2ccccc2)[nH]c1=S)[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000012740035 568927063 /nfs/dbraw/zinc/92/70/63/568927063.db2.gz QCUHGTBMSMYNEU-GOSISDBHSA-N 0 0 424.961 4.673 50 0 HJAARN COc1cc2nc(SCc3c(C)cc(C)cc3C)n3nc(C)nc3c2cc1OC ZINC000001402101 568927408 /nfs/dbraw/zinc/92/74/08/568927408.db2.gz NCLJETREAHLSLL-UHFFFAOYSA-N 0 0 408.527 4.821 50 0 HJAARN Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cccc(-c4cc[nH]n4)c3)c12 ZINC000031536815 568927744 /nfs/dbraw/zinc/92/77/44/568927744.db2.gz ADPGQHKZOWXJDS-UHFFFAOYSA-N 0 0 413.412 4.980 50 0 HJAARN O=c1c2ccccc2nc2n1[C@H](CSCc1cccc(C(F)(F)F)c1)CS2 ZINC000001405492 568927923 /nfs/dbraw/zinc/92/79/23/568927923.db2.gz RWPBRNPGEQOCMJ-CQSZACIVSA-N 0 0 408.470 4.996 50 0 HJAARN COc1cccc(N2C(=O)c3cc(C)nc(SCc4ccc(F)cc4)c3C2=O)c1 ZINC000001405791 568927981 /nfs/dbraw/zinc/92/79/81/568927981.db2.gz IBTLFUDCCRUUIJ-UHFFFAOYSA-N 0 0 408.454 4.631 50 0 HJAARN CC[C@@H](C)NC(=O)c1c(C)nn2c1nc(-c1ccc(Cl)cc1)cc2C(F)(F)F ZINC000004181691 568928051 /nfs/dbraw/zinc/92/80/51/568928051.db2.gz JQTIGWBLFAKSGZ-SNVBAGLBSA-N 0 0 410.827 4.905 50 0 HJAARN COc1cccc2c(C)cc(S[C@H](C)C(=O)Nc3ccc(NC(C)=O)cc3)nc12 ZINC000016624979 568928761 /nfs/dbraw/zinc/92/87/61/568928761.db2.gz XLCYHWZCEDYLRO-CQSZACIVSA-N 0 0 409.511 4.630 50 0 HJAARN COc1cc(C)c(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1OC ZINC000012740446 568928814 /nfs/dbraw/zinc/92/88/14/568928814.db2.gz TZMKOTUCMJKVOU-UHFFFAOYSA-N 0 0 423.366 4.608 50 0 HJAARN Cc1cccc(C2N=NC(=S)N2CCC(=O)NCc2ccc(Cl)cc2Cl)c1 ZINC000012741038 568929104 /nfs/dbraw/zinc/92/91/04/568929104.db2.gz DHLZTIQGQGSZOP-UHFFFAOYSA-N 0 0 421.353 4.556 50 0 HJAARN Cc1sc2ncn(Cc3noc(-c4ccsc4)n3)c(=O)c2c1-c1ccccc1 ZINC000031699457 568929230 /nfs/dbraw/zinc/92/92/30/568929230.db2.gz DQZWPZVCJSOGJP-UHFFFAOYSA-N 0 0 406.492 4.593 50 0 HJAARN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cccc(S(=O)(=O)N(C)c2cccc(Cl)c2)c1 ZINC000012742046 568929850 /nfs/dbraw/zinc/92/98/50/568929850.db2.gz LKMKZPAZZDWVKH-HZPDHXFCSA-N 0 0 420.962 4.568 50 0 HJAARN CCCc1ccc(-c2nc(NC(=O)C3CCN(C(=O)C(C)C)CC3)sc2C)cc1 ZINC000012741860 568929867 /nfs/dbraw/zinc/92/98/67/568929867.db2.gz WMNWLBYOCNMLFC-UHFFFAOYSA-N 0 0 413.587 4.904 50 0 HJAARN CCC[C@@H](C)NC(=O)CSc1nnc(-c2ccccc2OC)n1C1CCCCC1 ZINC000012743725 568930140 /nfs/dbraw/zinc/93/01/40/568930140.db2.gz HLAXFIKLNGLZIK-MRXNPFEDSA-N 0 0 416.591 4.856 50 0 HJAARN COc1ccccc1N1CCN(C(=O)Nc2cccc(C3SCCS3)c2)CC1 ZINC000083980530 568930160 /nfs/dbraw/zinc/93/01/60/568930160.db2.gz NJSRTSPVAZEWPB-UHFFFAOYSA-N 0 0 415.584 4.528 50 0 HJAARN Cc1noc(C)c1CC(=O)Nc1ccc(Cl)cc1C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000084023106 568933098 /nfs/dbraw/zinc/93/30/98/568933098.db2.gz DTZOEJNIDIUNNA-BETUJISGSA-N 0 0 403.910 4.529 50 0 HJAARN COc1ccc(CCNC(=O)[C@@H](C)SCc2nc(-c3cccs3)oc2C)cc1 ZINC000084056825 568933586 /nfs/dbraw/zinc/93/35/86/568933586.db2.gz SLFQMTJNNQWHCW-OAHLLOKOSA-N 0 0 416.568 4.701 50 0 HJAARN COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccccc1C(F)(F)F ZINC000004033152 568934806 /nfs/dbraw/zinc/93/48/06/568934806.db2.gz YSEPNPHDTGFFKU-UHFFFAOYSA-N 0 0 412.371 4.676 50 0 HJAARN Cc1cc(N2CCCC2)ccc1NC(=O)CSc1nc(-c2ccc(F)cc2)c[nH]1 ZINC000019194192 568936615 /nfs/dbraw/zinc/93/66/15/568936615.db2.gz CECQOERSBVRNEQ-UHFFFAOYSA-N 0 0 410.518 4.855 50 0 HJAARN COc1ccc(OC)c(-c2c(C)c3cc(OC(=O)c4ccco4)ccc3oc2=O)c1 ZINC000004084548 568939959 /nfs/dbraw/zinc/93/99/59/568939959.db2.gz CQLUVFWOWZGWSX-UHFFFAOYSA-N 0 0 406.390 4.598 50 0 biogenic HJAARN COc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)n3ncnc3N2C(=O)CC(C)C)cc1 ZINC000004816631 568940591 /nfs/dbraw/zinc/94/05/91/568940591.db2.gz DCDZGOLVCLLEFF-SFTDATJTSA-N 0 0 408.477 4.539 50 0 HJAARN CC(C)Oc1ccc(C(=O)Nc2nnc(SCC(=O)c3ccccc3)s2)cc1 ZINC000004087855 568941195 /nfs/dbraw/zinc/94/11/95/568941195.db2.gz KYZVZQPKMHGYCC-UHFFFAOYSA-N 0 0 413.524 4.553 50 0 HJAARN Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCCc3ccccc3F)c(C)c21 ZINC000004089678 568941650 /nfs/dbraw/zinc/94/16/50/568941650.db2.gz KOKUXRXRRKPKEO-UHFFFAOYSA-N 0 0 407.441 4.505 50 0 biogenic HJAARN Cc1csc(N(C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c2ccccc2)n1 ZINC000012752983 568941696 /nfs/dbraw/zinc/94/16/96/568941696.db2.gz KWIKFJDHHZBLRE-OAHLLOKOSA-N 0 0 411.914 4.823 50 0 HJAARN COc1ccc(CNC(=O)Cc2c(C)c3c4oc(C)c(C)c4c(C)cc3oc2=O)cc1 ZINC000004090008 568941881 /nfs/dbraw/zinc/94/18/81/568941881.db2.gz MXUDFDXSDRILSO-UHFFFAOYSA-N 0 0 419.477 4.640 50 0 biogenic HJAARN CS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)cc1 ZINC000012755371 568942750 /nfs/dbraw/zinc/94/27/50/568942750.db2.gz JBIAXVLQFMFAMA-UHFFFAOYSA-N 0 0 420.465 4.697 50 0 HJAARN CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1 ZINC000004122486 568944950 /nfs/dbraw/zinc/94/49/50/568944950.db2.gz NWVKNWNPUMSKSJ-UHFFFAOYSA-N 0 0 416.506 4.887 50 0 HJAARN COc1cc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c32)cc(OC)c1 ZINC000012760784 568945002 /nfs/dbraw/zinc/94/50/02/568945002.db2.gz KENUMMVGIJLLSY-UHFFFAOYSA-N 0 0 407.401 4.607 50 0 HJAARN Cc1nc(-c2c[nH]c(C(=O)N3CCCCC[C@@H]3C[C@H](O)c3ccccc3)c2)cs1 ZINC000084274913 568945666 /nfs/dbraw/zinc/94/56/66/568945666.db2.gz OGLXIALFLDWJMJ-KNQAVFIVSA-N 0 0 409.555 4.955 50 0 HJAARN CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1c[nH]c2ccccc21 ZINC000004138548 568945702 /nfs/dbraw/zinc/94/57/02/568945702.db2.gz QWJMKHLONCDDCW-UHFFFAOYSA-N 0 0 411.918 4.831 50 0 HJAARN COc1ccccc1[C@@H](C)NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c21 ZINC000012761635 568945757 /nfs/dbraw/zinc/94/57/57/568945757.db2.gz WODRIQAZWMRVQH-CYBMUJFWSA-N 0 0 405.429 4.837 50 0 HJAARN CCN(CC)C(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1C ZINC000004146107 568946530 /nfs/dbraw/zinc/94/65/30/568946530.db2.gz AEFIASMRYRGDHG-UHFFFAOYSA-N 0 0 414.962 4.857 50 0 HJAARN COC(=O)c1cccc(CSc2nnc(-c3ccco3)n2-c2ccc(F)cc2)c1 ZINC000004146020 568946552 /nfs/dbraw/zinc/94/65/52/568946552.db2.gz CCWLRBJCNBOCBE-UHFFFAOYSA-N 0 0 409.442 4.745 50 0 HJAARN COc1ccc([C@H](C)NC(=O)c2oc3c(c2C)-c2nc(C)sc2CC3)cc1OC ZINC000015869943 568946764 /nfs/dbraw/zinc/94/67/64/568946764.db2.gz PZCFAKRWSOIWAY-LBPRGKRZSA-N 0 0 412.511 4.627 50 0 HJAARN Cc1ccc(NC(=O)c2nnc(CN(C)Cc3c(F)cccc3Cl)s2)cc1 ZINC000012763301 568947081 /nfs/dbraw/zinc/94/70/81/568947081.db2.gz NIAYUSACOPLTHP-UHFFFAOYSA-N 0 0 404.898 4.523 50 0 HJAARN Cc1sc(NC(=O)C[C@H](C)NC(=O)c2ccccc2)nc1-c1ccc(F)c(F)c1 ZINC000012766637 568948782 /nfs/dbraw/zinc/94/87/82/568948782.db2.gz QFJZEAAVZDBKRB-LBPRGKRZSA-N 0 0 415.465 4.544 50 0 HJAARN CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1cccc(NC(C)=O)c1 ZINC000012767077 568948898 /nfs/dbraw/zinc/94/88/98/568948898.db2.gz VTOCKMOZSBOEPX-UHFFFAOYSA-N 0 0 402.494 4.886 50 0 HJAARN O=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1ccc(Cl)cc1 ZINC000004178233 568948965 /nfs/dbraw/zinc/94/89/65/568948965.db2.gz AIOKXIAYCQWGKJ-UHFFFAOYSA-N 0 0 403.869 4.746 50 0 HJAARN COc1cc(-c2nnc(CSc3nc4ccccc4s3)o2)cc(OC)c1OC ZINC000004195266 568951147 /nfs/dbraw/zinc/95/11/47/568951147.db2.gz ZLCSGICJWKGNJV-UHFFFAOYSA-N 0 0 415.496 4.664 50 0 HJAARN CCOC(=O)[C@](NC(=O)Nc1ccc(F)c(Cl)c1)(c1ccccc1)C(F)(F)F ZINC000004208170 568951756 /nfs/dbraw/zinc/95/17/56/568951756.db2.gz QXTCNYOKLLAOPD-QGZVFWFLSA-N 0 0 418.774 4.622 50 0 HJAARN Cc1cc(C(=O)N(C)Cc2ccccc2C(F)(F)F)c2nc3n(c2n1)CCCCC3 ZINC000012772946 568952583 /nfs/dbraw/zinc/95/25/83/568952583.db2.gz UYKCZSZTSWAIDD-UHFFFAOYSA-N 0 0 416.447 4.757 50 0 HJAARN O=C(c1ccc(Br)cc1)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000004239443 568953081 /nfs/dbraw/zinc/95/30/81/568953081.db2.gz WHGUNHYNXCQBAL-UHFFFAOYSA-N 0 0 412.287 4.519 50 0 HJAARN Cc1csc2nc(-c3cccc(NC(=O)c4ccc(Br)o4)c3)cn12 ZINC000004249068 568953868 /nfs/dbraw/zinc/95/38/68/568953868.db2.gz MSMXNBCKGGQINF-UHFFFAOYSA-N 0 0 402.273 4.979 50 0 HJAARN CCc1ccc([C@@H](C)NC(=O)c2oc3ccccc3c2CSc2nc[nH]n2)cc1 ZINC000012776344 568954848 /nfs/dbraw/zinc/95/48/48/568954848.db2.gz DONCLAQJEVIQSF-CQSZACIVSA-N 0 0 406.511 4.897 50 0 HJAARN Cc1cccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2cccc3ccccc32)c1C ZINC000004262962 568955709 /nfs/dbraw/zinc/95/57/09/568955709.db2.gz MUONHKGMEUWOSK-JOCHJYFZSA-N 0 0 401.535 4.888 50 0 HJAARN O=C1CS[C@@H](c2ccccc2F)N1c1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000004269011 568956583 /nfs/dbraw/zinc/95/65/83/568956583.db2.gz QMDYOJBQMYMBHG-GZDOSPBESA-N 0 0 415.559 4.924 50 0 HJAARN O=C(CCOc1ccccc1)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 ZINC000004273190 568957701 /nfs/dbraw/zinc/95/77/01/568957701.db2.gz IKACTTBPCJPDMP-UHFFFAOYSA-N 0 0 407.470 4.833 50 0 HJAARN Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)c(Cl)c1 ZINC000012784282 568959566 /nfs/dbraw/zinc/95/95/66/568959566.db2.gz NCWIFJKCJOJAMD-SXYIGIQMSA-N 0 0 400.950 4.794 50 0 HJAARN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000012786911 568960343 /nfs/dbraw/zinc/96/03/43/568960343.db2.gz AYGVFKMGMIRKRQ-CABCVRRESA-N 0 0 412.481 4.544 50 0 HJAARN CCCCn1c(Cn2ccnc2C)nc2cc(NC(=O)c3ccccc3C)ccc21 ZINC000015669162 568960767 /nfs/dbraw/zinc/96/07/67/568960767.db2.gz KHHYRJPUQROBJX-UHFFFAOYSA-N 0 0 401.514 4.950 50 0 HJAARN CCC(CC)C(=O)Nc1ccc2nc(SCC(=O)Nc3nccs3)sc2c1 ZINC000015669773 568961219 /nfs/dbraw/zinc/96/12/19/568961219.db2.gz FJAMCYIZXADABY-UHFFFAOYSA-N 0 0 420.585 4.858 50 0 HJAARN Cc1nc(NC(=O)COc2ccc(C)cc2)sc1-c1nc(-c2ccccc2C)no1 ZINC000015669991 568961244 /nfs/dbraw/zinc/96/12/44/568961244.db2.gz GCBVJXBNBDFDDJ-UHFFFAOYSA-N 0 0 420.494 4.803 50 0 HJAARN COc1ccc(NC(=O)CSc2nnc(-c3ccc4[nH]c(C)c(C)c4c3)o2)cc1 ZINC000015670837 568961621 /nfs/dbraw/zinc/96/16/21/568961621.db2.gz SYNFFKKQFJMXHW-UHFFFAOYSA-N 0 0 408.483 4.574 50 0 HJAARN Cc1nc2ccccc2c(-c2ccccc2)c1N1C(=O)c2ccccc2S1(=O)=O ZINC000007986614 568964836 /nfs/dbraw/zinc/96/48/36/568964836.db2.gz SABKNXBURPCMNG-UHFFFAOYSA-N 0 0 400.459 4.559 50 0 HJAARN O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CC=C(c2ccccc2)CC1 ZINC000007987293 568965079 /nfs/dbraw/zinc/96/50/79/568965079.db2.gz VTYAANWQNVVBMX-UHFFFAOYSA-N 0 0 406.489 4.864 50 0 HJAARN O=C(Nc1ccnn1Cc1ccccc1)c1cccc(OCc2ccc(F)cc2)c1 ZINC000007989289 568966377 /nfs/dbraw/zinc/96/63/77/568966377.db2.gz CRFMYZMHOIOQTL-UHFFFAOYSA-N 0 0 401.441 4.902 50 0 HJAARN COc1ccccc1CCNC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000007989482 568966495 /nfs/dbraw/zinc/96/64/95/568966495.db2.gz DIGHZVQGLAXQII-UHFFFAOYSA-N 0 0 411.505 4.580 50 0 HJAARN COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)/C=C/c1ccc(C)o1)CC2 ZINC000007989955 568966705 /nfs/dbraw/zinc/96/67/05/568966705.db2.gz PQEUEDFGXFEYBP-CJZRDCOESA-N 0 0 403.478 4.793 50 0 HJAARN COc1ccc2cc([C@@H](C)C(=O)NCC(=O)Nc3cccc(Cl)c3C)ccc2c1 ZINC000007990638 568966931 /nfs/dbraw/zinc/96/69/31/568966931.db2.gz BMHOKOSXQMUODA-CQSZACIVSA-N 0 0 410.901 4.669 50 0 HJAARN O=C(NCc1ccc2c(c1)OCO2)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 ZINC000015680949 568967410 /nfs/dbraw/zinc/96/74/10/568967410.db2.gz GFCYLCNSEKFRGQ-UHFFFAOYSA-N 0 0 423.900 4.589 50 0 HJAARN CCOc1ccccc1CNC(=O)c1c(C)nn(-c2ccc(C)cc2)c1-n1cccc1 ZINC000015681443 568967930 /nfs/dbraw/zinc/96/79/30/568967930.db2.gz QCJVGCGQKUKISK-UHFFFAOYSA-N 0 0 414.509 4.609 50 0 HJAARN CC(C)c1ccc(-c2noc(CN3c4cccc5cccc(c45)S3(=O)=O)n2)cc1 ZINC000008006951 568968064 /nfs/dbraw/zinc/96/80/64/568968064.db2.gz AHRFYCULSQMMJN-UHFFFAOYSA-N 0 0 405.479 4.722 50 0 HJAARN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Oc2ccccc2F)ccc1C ZINC000008040217 568970399 /nfs/dbraw/zinc/97/03/99/568970399.db2.gz FEFPLYHPPKOMIR-UHFFFAOYSA-N 0 0 413.470 4.569 50 0 HJAARN C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)CSc1cccc2cccc(Cl)c21 ZINC000008072582 568971792 /nfs/dbraw/zinc/97/17/92/568971792.db2.gz CQXKTXYDWDSJKX-GJZGRUSLSA-N 0 0 405.947 4.918 50 0 HJAARN Cc1cc(C)cc(NC(=O)[C@H](Sc2nnnn2C2CCCC2)c2ccccc2)c1 ZINC000008074502 568972144 /nfs/dbraw/zinc/97/21/44/568972144.db2.gz FPVLANPHLZDZOR-HXUWFJFHSA-N 0 0 407.543 4.877 50 0 HJAARN O=C(c1c[nH]c2ccccc12)[C@@H](Sc1nnnn1C1CCCC1)c1ccccc1 ZINC000008075187 568972162 /nfs/dbraw/zinc/97/21/62/568972162.db2.gz NLPOBQWWCWPYLJ-NRFANRHFSA-N 0 0 403.511 4.986 50 0 HJAARN 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Cc1cc(C(=O)N2C[C@H](O)C[C@H]2c2ccc(C(F)(F)F)cc2)c2ccccc2n1 ZINC000089582922 569070605 /nfs/dbraw/zinc/07/06/05/569070605.db2.gz HVSBGHYXKKBDPO-UZLBHIALSA-N 0 0 400.400 4.510 50 0 HJAARN CCOP(=O)(OCC)c1nc(-c2ccccc2F)oc1NCc1ccccc1 ZINC000027025484 569070983 /nfs/dbraw/zinc/07/09/83/569070983.db2.gz HQBONMHFLLQFGS-UHFFFAOYSA-N 0 0 404.378 4.984 50 0 HJAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3C(C)C)cc1 ZINC000004854177 569071586 /nfs/dbraw/zinc/07/15/86/569071586.db2.gz RTZFSXJJIIXOLR-ICSRJNTNSA-N 0 0 401.304 4.983 50 0 HJAARN Cc1cc(C)n2nc(SCc3ccccc3C(=O)NCCC3=CCCCC3)nc2n1 ZINC000006608435 569071888 /nfs/dbraw/zinc/07/18/88/569071888.db2.gz YWHSUXMBUWKWLX-UHFFFAOYSA-N 0 0 421.570 4.654 50 0 HJAARN CCCN(C(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2)C1CCCC1 ZINC000426653028 569073707 /nfs/dbraw/zinc/07/37/07/569073707.db2.gz WVLMQDFDBOLZAZ-UHFFFAOYSA-N 0 0 401.576 4.706 50 0 HJAARN CCOc1ccc(Oc2ccc(S(=O)(=O)Nc3cccc(C(C)=O)c3)cc2)cc1 ZINC000006623490 569075154 /nfs/dbraw/zinc/07/51/54/569075154.db2.gz WZIWAQCHJNTQBN-UHFFFAOYSA-N 0 0 411.479 4.881 50 0 HJAARN COc1cc(NC(=O)Cc2c(C)c3c4occ(C)c4c(C)cc3oc2=O)cc(OC)c1 ZINC000006623915 569075367 /nfs/dbraw/zinc/07/53/67/569075367.db2.gz QKLFZFPXMDMVQW-UHFFFAOYSA-N 0 0 421.449 4.663 50 0 biogenic HJAARN CC(=O)c1ccc(NC(=O)Cc2c(C)c3c4occ(C)c4c(C)cc3oc2=O)cc1 ZINC000006623883 569075368 /nfs/dbraw/zinc/07/53/68/569075368.db2.gz PNIMABPEUKRUKC-UHFFFAOYSA-N 0 0 403.434 4.848 50 0 biogenic HJAARN COc1cccc(C(=O)N(Cc2cc(-c3ccc(F)cc3)on2)Cc2ccco2)c1 ZINC000036004582 569075903 /nfs/dbraw/zinc/07/59/03/569075903.db2.gz LKYKOJFSEYAEOD-UHFFFAOYSA-N 0 0 406.413 4.925 50 0 HJAARN C[C@H](NC(=O)COC(=O)CCCSc1nc2ccccc2s1)c1ccccc1 ZINC000006625868 569075921 /nfs/dbraw/zinc/07/59/21/569075921.db2.gz WSYWTQKRKGOCJJ-HNNXBMFYSA-N 0 0 414.552 4.589 50 0 HJAARN Cc1cccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2cccc(F)c2F)c1 ZINC000064657032 569077149 /nfs/dbraw/zinc/07/71/49/569077149.db2.gz XAHGYWFALNBDLM-CQSZACIVSA-N 0 0 419.474 4.642 50 0 HJAARN CC[C@@H](C(=O)Nc1ccc(Br)cc1)n1c(C(=O)OC)cc2ccsc21 ZINC000064659259 569077802 /nfs/dbraw/zinc/07/78/02/569077802.db2.gz MAVJSBKLKDNUPF-AWEZNQCLSA-N 0 0 421.316 4.842 50 0 HJAARN Cc1ccc(-c2nc3c(s2)CN(S(=O)(=O)c2cccc(Cl)c2C)CC3)cc1 ZINC000064660437 569077910 /nfs/dbraw/zinc/07/79/10/569077910.db2.gz CJTVUGKNOFPKSB-UHFFFAOYSA-N 0 0 418.971 4.827 50 0 HJAARN CC(C)Cc1ccc(S(=O)(=O)N2CCc3nc(-c4ccccc4)sc3C2)cc1 ZINC000064660493 569077914 /nfs/dbraw/zinc/07/79/14/569077914.db2.gz CANJNSJMTSSNFI-UHFFFAOYSA-N 0 0 412.580 4.756 50 0 HJAARN CCOc1ccc(CNC(=O)c2ccc3cnn(Cc4ccc(F)cc4)c3c2)cc1 ZINC000064664822 569078162 /nfs/dbraw/zinc/07/81/62/569078162.db2.gz DTJXUEDQINUSOJ-UHFFFAOYSA-N 0 0 403.457 4.552 50 0 HJAARN Cc1ccc(CNC(=O)C[C@H]2COc3ccccc3N2Cc2ccc(F)cc2)cc1 ZINC000064663875 569079756 /nfs/dbraw/zinc/07/97/56/569079756.db2.gz KOJFLVMMQIZRGH-QFIPXVFZSA-N 0 0 404.485 4.608 50 0 HJAARN Cc1ccc(NC(=O)CSc2ncnc3sc4c(c32)CC[C@H](C)C4)cc1F ZINC000006647929 569080736 /nfs/dbraw/zinc/08/07/36/569080736.db2.gz BEKZFGIHSJMCDU-NSHDSACASA-N 0 0 401.532 4.994 50 0 HJAARN Cc1ccc(N2C(=O)CC[C@H](C(=O)NCc3ccccc3)[C@H]2c2cccs2)cc1 ZINC000006648790 569081252 /nfs/dbraw/zinc/08/12/52/569081252.db2.gz GKZNDLUYJYDUBS-REWPJTCUSA-N 0 0 404.535 4.857 50 0 HJAARN O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)cs1)NCc1ccccn1 ZINC000064677237 569081440 /nfs/dbraw/zinc/08/14/40/569081440.db2.gz ABBZNJVYVOPJIA-UHFFFAOYSA-N 0 0 408.914 4.643 50 0 HJAARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccc2c(c1)CCC2 ZINC000006653469 569082655 /nfs/dbraw/zinc/08/26/55/569082655.db2.gz HSWSAHKVTXRKSG-UHFFFAOYSA-N 0 0 410.823 4.558 50 0 HJAARN CC(C)[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)Nc1cccc2ncccc21 ZINC000006654022 569082752 /nfs/dbraw/zinc/08/27/52/569082752.db2.gz PSAPSPZGRBIHNG-VWLOTQADSA-N 0 0 411.505 4.710 50 0 HJAARN Cc1ccccc1OCCC(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000006654193 569082761 /nfs/dbraw/zinc/08/27/61/569082761.db2.gz ILLDSOQELWZMQW-UHFFFAOYSA-N 0 0 411.889 4.659 50 0 HJAARN CC1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000006668010 569086092 /nfs/dbraw/zinc/08/60/92/569086092.db2.gz SNWPCRFCLINAGW-UHFFFAOYSA-N 0 0 406.891 4.657 50 0 HJAARN CC(C)CNC(=O)c1coc(CN(Cc2cccc(F)c2)[C@H](C)c2ccccc2)n1 ZINC000036073489 569086307 /nfs/dbraw/zinc/08/63/07/569086307.db2.gz WCYDPHMHBKHDCG-GOSISDBHSA-N 0 0 409.505 4.963 50 0 HJAARN Cc1ccccc1CN(Cc1nc(C(=O)N2CCCCC2)co1)Cc1ccc(F)cc1 ZINC000036072474 569086624 /nfs/dbraw/zinc/08/66/24/569086624.db2.gz AEGQCUNLERVHNS-UHFFFAOYSA-N 0 0 421.516 4.951 50 0 HJAARN Cc1ccccc1CN(Cc1nc(C(=O)NCC(C)C)co1)Cc1ccc(F)cc1 ZINC000036072459 569086625 /nfs/dbraw/zinc/08/66/25/569086625.db2.gz ACVDDCLCHVLMNG-UHFFFAOYSA-N 0 0 409.505 4.710 50 0 HJAARN Cc1ccccc1Oc1nccnc1N1CCC[C@H](C(=O)NC2CCCCCC2)C1 ZINC000064747060 569089010 /nfs/dbraw/zinc/08/90/10/569089010.db2.gz MGUOHWMAFWMRQM-IBGZPJMESA-N 0 0 408.546 4.633 50 0 HJAARN O=C(Nc1ccc(F)cc1F)N1CCC[C@@H]1c1nc(-c2ccc(F)cc2F)no1 ZINC000064747745 569089033 /nfs/dbraw/zinc/08/90/33/569089033.db2.gz DBIKMJRSCLQVCA-MRXNPFEDSA-N 0 0 406.339 4.662 50 0 HJAARN Cc1cc(C)cc(NC(=O)Nc2ccc3nc(S(=O)(=O)C(C)C)sc3c2)c1 ZINC000064747867 569089099 /nfs/dbraw/zinc/08/90/99/569089099.db2.gz JZHNONYUEJSAMF-UHFFFAOYSA-N 0 0 403.529 4.739 50 0 HJAARN CCOc1ccc(S(=O)(=O)Nc2ccc3nc(SC(C)C)sc3c2)cc1 ZINC000064747843 569089110 /nfs/dbraw/zinc/08/91/10/569089110.db2.gz ANHZHEWVXLDJHR-UHFFFAOYSA-N 0 0 408.570 4.996 50 0 HJAARN COc1ccc(-c2nccc([C@@H]3CCCN(C(=O)Cc4ccccc4Cl)C3)n2)cc1 ZINC000064747984 569089196 /nfs/dbraw/zinc/08/91/96/569089196.db2.gz ZGOVUYODBQNISX-LJQANCHMSA-N 0 0 421.928 4.754 50 0 HJAARN O=C(c1ccc(Cl)cc1)N(Cc1nccn1Cc1ccc(F)c(F)c1)C1CC1 ZINC000006689624 569089330 /nfs/dbraw/zinc/08/93/30/569089330.db2.gz XFPWJOHNWHOQMS-UHFFFAOYSA-N 0 0 401.844 4.668 50 0 HJAARN O=C(c1ccccc1F)N(Cc1nccn1Cc1c(F)cccc1Cl)C1CC1 ZINC000006690112 569089369 /nfs/dbraw/zinc/08/93/69/569089369.db2.gz FRMRKPGRNVHUTH-UHFFFAOYSA-N 0 0 401.844 4.668 50 0 HJAARN CC[C@@H](C)N(Cc1csc(COc2c(OC)cccc2OC)n1)C(=O)C(C)C ZINC000036114940 569094170 /nfs/dbraw/zinc/09/41/70/569094170.db2.gz IYRGHVASRFEMIV-OAHLLOKOSA-N 0 0 406.548 4.522 50 0 HJAARN CC(C)[C@@H](C)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C(=O)NC(C)(C)C ZINC000006695058 569091537 /nfs/dbraw/zinc/09/15/37/569091537.db2.gz ZHOHYWUCDFOQRB-QGZVFWFLSA-N 0 0 416.610 4.846 50 0 HJAARN CCC(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(C)cc2)=NO1 ZINC000006695282 569091605 /nfs/dbraw/zinc/09/16/05/569091605.db2.gz OTAITAXGTBOBPQ-IBGZPJMESA-N 0 0 404.432 4.946 50 0 HJAARN CCc1csc(-c2ccc(S(=O)(=O)N[C@@H](CC)c3ccc(OC)cc3)s2)n1 ZINC000064769416 569092713 /nfs/dbraw/zinc/09/27/13/569092713.db2.gz NMAAAQQGNMXWAK-INIZCTEOSA-N 0 0 422.597 4.872 50 0 HJAARN Cc1oc(-c2ccccc2C)nc1Cn1ccn2nc(-c3cccs3)cc2c1=O ZINC000064775024 569093358 /nfs/dbraw/zinc/09/33/58/569093358.db2.gz QMAYWGXSSOZJNY-UHFFFAOYSA-N 0 0 402.479 4.545 50 0 HJAARN COCCCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1ccco1 ZINC000036114231 569093851 /nfs/dbraw/zinc/09/38/51/569093851.db2.gz SAGGUNZHBDPMAZ-UHFFFAOYSA-N 0 0 414.527 4.611 50 0 HJAARN COCCN(Cc1csc(COc2cccc3ccccc32)n1)C(=O)CC(C)C ZINC000036115039 569094112 /nfs/dbraw/zinc/09/41/12/569094112.db2.gz FLTFNTVZAGNATH-UHFFFAOYSA-N 0 0 412.555 4.896 50 0 HJAARN Cc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)Cc3ccccc3)cc2)cc1 ZINC000006705771 569095344 /nfs/dbraw/zinc/09/53/44/569095344.db2.gz PQELRFIIKXMCEA-DEOSSOPVSA-N 0 0 402.519 4.955 50 0 HJAARN CC(C)C(=O)N(Cc1ccco1)Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C ZINC000006707970 569095420 /nfs/dbraw/zinc/09/54/20/569095420.db2.gz BBLFDLPUGCSABN-UHFFFAOYSA-N 0 0 413.562 4.905 50 0 HJAARN CCNC(=O)N(Cc1csc(COc2cc(Cl)ccc2Cl)n1)C1CC1 ZINC000036124540 569095507 /nfs/dbraw/zinc/09/55/07/569095507.db2.gz XQFIDFADLJDVOR-UHFFFAOYSA-N 0 0 400.331 4.723 50 0 HJAARN CCC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2ccc(OC)cc2)[C@@H](C)CC)c1 ZINC000006713089 569096975 /nfs/dbraw/zinc/09/69/75/569096975.db2.gz CNIZAGITZKAUMJ-KRWDZBQOSA-N 0 0 411.546 4.551 50 0 HJAARN COc1ccccc1NC(=O)Nc1ccc(Nc2cc(C)nc(N3CCCC3)n2)cc1 ZINC000064801437 569097168 /nfs/dbraw/zinc/09/71/68/569097168.db2.gz IQUJGHJBKMLQIL-UHFFFAOYSA-N 0 0 418.501 4.781 50 0 HJAARN CC(=O)N(Cc1ccccc1)Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C ZINC000006712287 569097251 /nfs/dbraw/zinc/09/72/51/569097251.db2.gz GMRFSYSSUVAWJO-UHFFFAOYSA-N 0 0 419.500 4.693 50 0 HJAARN Cc1nnc(SCc2ccc(C(=O)NCc3ccco3)cc2)n1-c1ccccc1C ZINC000006712534 569097413 /nfs/dbraw/zinc/09/74/13/569097413.db2.gz MPTLAQWQWZZGSG-UHFFFAOYSA-N 0 0 418.522 4.699 50 0 HJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCCC2)cc1Cl ZINC000006721252 569099234 /nfs/dbraw/zinc/09/92/34/569099234.db2.gz PGDYRGIQBOPHNG-UHFFFAOYSA-N 0 0 412.946 4.923 50 0 HJAARN CC[C@H](C)N(Cc1cc(NC(=O)C2CCC2)ccc1N(C)C)C(=O)c1cccs1 ZINC000006722496 569099637 /nfs/dbraw/zinc/09/96/37/569099637.db2.gz SMTMBGMBHXZGSZ-INIZCTEOSA-N 0 0 413.587 4.994 50 0 HJAARN CCNC(=O)N(Cc1cc(NC(=O)CC(C)(C)C)ccc1N(C)C)C1CCCCC1 ZINC000006722688 569099699 /nfs/dbraw/zinc/09/96/99/569099699.db2.gz PISSZDIYOKKLMY-UHFFFAOYSA-N 0 0 416.610 4.992 50 0 HJAARN CCNC(=O)Nc1ccc(N(C)C)c(CN(C(=O)C(CC)CC)C2CCCCC2)c1 ZINC000006722755 569099813 /nfs/dbraw/zinc/09/98/13/569099813.db2.gz UQIASOBLZNXNOR-UHFFFAOYSA-N 0 0 416.610 4.992 50 0 HJAARN CC(C)N(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)C(=O)C(C)(C)C ZINC000006722829 569099824 /nfs/dbraw/zinc/09/98/24/569099824.db2.gz ZTTZROZEECULOL-UHFFFAOYSA-N 0 0 413.537 4.927 50 0 HJAARN CCN1c2ccccc2[C@]2(SC(C)(C)CN2C(=O)Nc2cccc(Cl)c2)C1=O ZINC000036151932 569100049 /nfs/dbraw/zinc/10/00/49/569100049.db2.gz YPZCMSTYARHBHB-NRFANRHFSA-N 0 0 415.946 4.919 50 0 HJAARN CC1(C)CN(C(=O)C2CCCC2)[C@]2(S1)c1ccccc1N(Cc1ccccc1)C2=O ZINC000036152995 569100313 /nfs/dbraw/zinc/10/03/13/569100313.db2.gz DYXUFUGRHFJZPZ-VWLOTQADSA-N 0 0 420.578 4.930 50 0 HJAARN CCN1c2ccc(F)cc2[C@@]2(SC(C)(C)CN2C(=O)Nc2ccc(F)cc2)C1=O ZINC000036151254 569100573 /nfs/dbraw/zinc/10/05/73/569100573.db2.gz MGNDNHXSESWJDB-OAQYLSRUSA-N 0 0 417.481 4.544 50 0 HJAARN O=C(Cn1c(-c2cccs2)cc2cc(F)ccc21)NCc1ccc2c(c1)OCO2 ZINC000064816507 569100606 /nfs/dbraw/zinc/10/06/06/569100606.db2.gz XYNBBDCNBUPCJK-UHFFFAOYSA-N 0 0 408.454 4.554 50 0 HJAARN CC1CCC(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCC(C)CC2)CC1 ZINC000006725305 569100807 /nfs/dbraw/zinc/10/08/07/569100807.db2.gz TZQPDCPWRNZBLZ-WXHVLAMRSA-N 0 0 423.601 4.716 50 0 HJAARN CCn1nc(C)c2nc(SCc3cccc(C)c3)n(Cc3ccc(F)cc3)c(=O)c21 ZINC000064817407 569100984 /nfs/dbraw/zinc/10/09/84/569100984.db2.gz JPHVKTSASCGJJU-UHFFFAOYSA-N 0 0 422.529 4.709 50 0 HJAARN O=C(Cc1ccccc1)N(Cc1c(-c2ccccc2)noc1N1CCCC1)CC1CC1 ZINC000036156449 569101398 /nfs/dbraw/zinc/10/13/98/569101398.db2.gz RSUHISAPTJLYQZ-UHFFFAOYSA-N 0 0 415.537 4.923 50 0 HJAARN O=C(c1cnc2ccccc2c1Nc1cc(Cl)ccc1Cl)N1CCOCC1 ZINC000064819973 569102410 /nfs/dbraw/zinc/10/24/10/569102410.db2.gz TUZLFIDUGOJKRA-UHFFFAOYSA-N 0 0 402.281 4.758 50 0 HJAARN Cc1ccc(-c2noc(CN(C(=O)COc3ccc(Cl)cc3C)C(C)C)n2)cc1 ZINC000006736976 569104847 /nfs/dbraw/zinc/10/48/47/569104847.db2.gz SCUWRILKCFEKPN-UHFFFAOYSA-N 0 0 413.905 4.823 50 0 HJAARN Cc1cccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)Cc3ccccc3)c2)c1 ZINC000006739715 569105115 /nfs/dbraw/zinc/10/51/15/569105115.db2.gz AOYRRQOKTJRTIN-DEOSSOPVSA-N 0 0 402.519 4.955 50 0 HJAARN Cc1cccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)Cc3ccccc3)c2)c1 ZINC000006739716 569105151 /nfs/dbraw/zinc/10/51/51/569105151.db2.gz AOYRRQOKTJRTIN-XMMPIXPASA-N 0 0 402.519 4.955 50 0 HJAARN CCc1ccc(NC(=O)N(C)CCc2noc(COc3ccc(Cl)cc3)n2)cc1 ZINC000064839971 569105352 /nfs/dbraw/zinc/10/53/52/569105352.db2.gz USEPPAXBASXXHD-UHFFFAOYSA-N 0 0 414.893 4.571 50 0 HJAARN O=c1c2sc3ccccc3c2n(Cc2ccccc2)c(=O)n1CCc1ccccc1 ZINC000006739260 569105897 /nfs/dbraw/zinc/10/58/97/569105897.db2.gz HAFNYYNDXMDNJZ-UHFFFAOYSA-N 0 0 412.514 4.669 50 0 HJAARN Cc1noc(C)c1-c1ccc(S(=O)(=O)Nc2ccc(Br)c(C)c2)cc1 ZINC000064837750 569106102 /nfs/dbraw/zinc/10/61/02/569106102.db2.gz PAQOWXOZJWKEIM-UHFFFAOYSA-N 0 0 421.316 4.830 50 0 HJAARN 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ZINC000006872089 569162198 /nfs/dbraw/zinc/16/21/98/569162198.db2.gz NEXIKQHHLJFTQN-SFHVURJKSA-N 0 0 408.395 4.776 50 0 HJAARN O=C(c1cccc(F)c1)N(Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000006872805 569162394 /nfs/dbraw/zinc/16/23/94/569162394.db2.gz QTNZYOJKTXXWML-JOCHJYFZSA-N 0 0 406.432 4.800 50 0 HJAARN CC(C)(C)NC(=O)N(Cc1ccc(F)cc1F)C[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000006873994 569162618 /nfs/dbraw/zinc/16/26/18/569162618.db2.gz BDQRITVVURNAJN-SFHVURJKSA-N 0 0 419.447 4.607 50 0 HJAARN COc1cccc(CNC(=O)c2ccc(-c3cnc(Oc4ccccc4)nc3)cc2)c1 ZINC000065057911 569163531 /nfs/dbraw/zinc/16/35/31/569163531.db2.gz SLHFQCOJXAWLAD-UHFFFAOYSA-N 0 0 411.461 4.875 50 0 biogenic HJAARN COc1cccc(Oc2ncc(-c3cccc(C(=O)NCc4ccc(C)o4)c3)cn2)c1 ZINC000065057969 569163536 /nfs/dbraw/zinc/16/35/36/569163536.db2.gz IRYWFMUCSWOWAK-UHFFFAOYSA-N 0 0 415.449 4.776 50 0 HJAARN C[C@]1(C(=O)NCc2ccccc2)CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000065059166 569164253 /nfs/dbraw/zinc/16/42/53/569164253.db2.gz 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C[C@@]1(C(=O)NCc2ccc(Cl)cc2)Cc2ccccc2C(=O)N1c1cccc(F)c1 ZINC000065075103 569169391 /nfs/dbraw/zinc/16/93/91/569169391.db2.gz DHQWVDAZIJWFJZ-DEOSSOPVSA-N 0 0 422.887 4.757 50 0 HJAARN COc1ccccc1CNC(=O)Cc1csc2nc(-c3ccc(C)c(C)c3)cn12 ZINC000065079687 569171244 /nfs/dbraw/zinc/17/12/44/569171244.db2.gz SRFLSKURSZJRHA-UHFFFAOYSA-N 0 0 405.523 4.547 50 0 HJAARN C[C@H](CCc1ccccc1)NC(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000169776039 569172433 /nfs/dbraw/zinc/17/24/33/569172433.db2.gz XVKWHJNUWTUIRS-PBXQCXKZSA-N 0 0 424.544 4.661 50 0 HJAARN Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H](C(=O)NC2CCCCCC2)CO3)c1 ZINC000065082059 569172572 /nfs/dbraw/zinc/17/25/72/569172572.db2.gz ZWDJQXNZPZZZHN-FQEVSTJZSA-N 0 0 406.526 4.637 50 0 HJAARN O=C(NCc1cccc(Cl)c1)c1nnn(-c2ccccc2Cl)c1-c1ccncc1 ZINC000065083131 569172765 /nfs/dbraw/zinc/17/27/65/569172765.db2.gz AHOCKKFEMYBUPS-UHFFFAOYSA-N 0 0 424.291 4.566 50 0 HJAARN CC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)s2)c1 ZINC000065085496 569173810 /nfs/dbraw/zinc/17/38/10/569173810.db2.gz MEKYGYPECRMLIM-UHFFFAOYSA-N 0 0 419.911 4.689 50 0 HJAARN CCCCN(CC)C(=O)c1ccc(C[S@](=O)c2ccc(Br)cc2)o1 ZINC000006895503 569175377 /nfs/dbraw/zinc/17/53/77/569175377.db2.gz SHGSUPUMTPSFQI-XMMPIXPASA-N 0 0 412.349 4.612 50 0 HJAARN CCc1nnc(S[C@@H](CC)C(=O)Nc2ccccc2OC)c2cc3occc3n21 ZINC000006894225 569175580 /nfs/dbraw/zinc/17/55/80/569175580.db2.gz PURMWCRSUWMGOC-SFHVURJKSA-N 0 0 410.499 4.556 50 0 HJAARN O=C(NCCCc1ccccc1)c1ccc(C[S@@](=O)Cc2ccc(Cl)cc2)o1 ZINC000006895792 569175727 /nfs/dbraw/zinc/17/57/27/569175727.db2.gz VGMWFCQOCOIUQC-MUUNZHRXSA-N 0 0 415.942 4.745 50 0 HJAARN O=C(NCCCc1ccccc1)c1ccc(C[S@@](=O)Cc2cccc(Cl)c2)o1 ZINC000006895886 569175769 /nfs/dbraw/zinc/17/57/69/569175769.db2.gz AOTXLRSVNCFHIA-MUUNZHRXSA-N 0 0 415.942 4.745 50 0 HJAARN Cc1ccc(CNC(=O)c2ccc(C[S@@](=O)Cc3cccc(Cl)c3)o2)cc1 ZINC000006895884 569175815 /nfs/dbraw/zinc/17/58/15/569175815.db2.gz LHJNMZBMHBTYJW-HHHXNRCGSA-N 0 0 401.915 4.620 50 0 HJAARN Cc1ccc(Cn2c3c4cc(C)ccc4n(C)c3c(=O)n(-c3ccc(C)cc3)c2=O)cc1 ZINC000006900341 569176276 /nfs/dbraw/zinc/17/62/76/569176276.db2.gz LINORFVHUPDPLW-UHFFFAOYSA-N 0 0 423.516 4.618 50 0 HJAARN O=C(Nc1cccc(Oc2nc3ccccc3n3cnnc23)c1)c1c(F)cccc1F ZINC000065096478 569176352 /nfs/dbraw/zinc/17/63/52/569176352.db2.gz AIEQECZVLUKLAN-UHFFFAOYSA-N 0 0 417.375 4.600 50 0 HJAARN O=S(=O)(c1cc(-c2nc(-c3ccc(Cl)cc3)no2)cs1)N1CCCCCC1 ZINC000065097973 569176911 /nfs/dbraw/zinc/17/69/11/569176911.db2.gz LYUZIZQDUSUJOB-UHFFFAOYSA-N 0 0 423.947 4.683 50 0 HJAARN O=C(Cc1ccccc1)NCc1nc(-c2cccc(-c3csc(C4CC4)n3)c2)no1 ZINC000065098254 569177044 /nfs/dbraw/zinc/17/70/44/569177044.db2.gz MEXMUCQSEWXVOE-UHFFFAOYSA-N 0 0 416.506 4.596 50 0 HJAARN CCc1nc(-c2cccc(-c3noc(CNC(=O)c4ccc(C)cc4)n3)c2)cs1 ZINC000065098209 569177058 /nfs/dbraw/zinc/17/70/58/569177058.db2.gz ZNNGGNXIMFMRSG-UHFFFAOYSA-N 0 0 404.495 4.661 50 0 HJAARN Cc1cc(Nc2nnc(-c3ccc(C(N)=O)cc3)c3ccccc23)n(-c2ccccc2)n1 ZINC000036413151 569177338 /nfs/dbraw/zinc/17/73/38/569177338.db2.gz VBAFRDBYNDMVPZ-UHFFFAOYSA-N 0 0 420.476 4.633 50 0 HJAARN Cc1oc(-c2ccc(C(=O)NCc3ccccn3)cc2)nc1COc1ccc(C)cc1 ZINC000006901047 569177760 /nfs/dbraw/zinc/17/77/60/569177760.db2.gz NLYKNYZHUPSERC-UHFFFAOYSA-N 0 0 413.477 4.862 50 0 HJAARN Cc1nnc2c(N(C)c3cccc(C)c3)nc3ccc(C(=O)c4ccccc4)cc3n12 ZINC000006901738 569177943 /nfs/dbraw/zinc/17/79/43/569177943.db2.gz PFXMJQKKDMELKV-UHFFFAOYSA-N 0 0 407.477 4.893 50 0 HJAARN CC(=O)Nc1ccc(Nc2c(C(=O)N3CCC(C)CC3)cnc3nc(C)ccc32)cc1 ZINC000065114662 569179253 /nfs/dbraw/zinc/17/92/53/569179253.db2.gz XINROJPGBIWQJX-UHFFFAOYSA-N 0 0 417.513 4.512 50 0 HJAARN Cc1cccc(C)c1NC(=O)Cn1cc(-c2ccccc2)c2ncn(C(C)C)c(=O)c21 ZINC000065113608 569180829 /nfs/dbraw/zinc/18/08/29/569180829.db2.gz QITGCKGKWQUCEH-UHFFFAOYSA-N 0 0 414.509 4.701 50 0 HJAARN O=C(Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)NCc1ccco1 ZINC000006916062 569181057 /nfs/dbraw/zinc/18/10/57/569181057.db2.gz VHQPNRXSZTTYDS-UHFFFAOYSA-N 0 0 403.482 4.513 50 0 HJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)c2ccccc2)cc1 ZINC000006923442 569182566 /nfs/dbraw/zinc/18/25/66/569182566.db2.gz SCZOTHACEQHIGB-UHFFFAOYSA-N 0 0 422.550 4.952 50 0 HJAARN Cc1ccc(NC(=O)N2CCC[C@H](CCC(=O)NCc3ccc(F)cc3F)C2)cc1 ZINC000065136224 569183304 /nfs/dbraw/zinc/18/33/04/569183304.db2.gz PZOQSRRRGBGXCG-QGZVFWFLSA-N 0 0 415.484 4.614 50 0 HJAARN Cc1ccc(NC(=O)N2CCC[C@@H](CCC(=O)NCc3ccc(C)c(C)c3)C2)cc1 ZINC000065136284 569183323 /nfs/dbraw/zinc/18/33/23/569183323.db2.gz ZOAWTBSBCGVUKW-NRFANRHFSA-N 0 0 407.558 4.952 50 0 HJAARN O=C(CC[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1)NCCC1=CCCCC1 ZINC000065136672 569183361 /nfs/dbraw/zinc/18/33/61/569183361.db2.gz PRMYHFQRAJGIHZ-LJQANCHMSA-N 0 0 401.526 4.857 50 0 HJAARN O=C(CC[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1)NCc1ccc(Cl)cc1 ZINC000065136888 569183521 /nfs/dbraw/zinc/18/35/21/569183521.db2.gz UVKQUWKALYIJGR-KRWDZBQOSA-N 0 0 417.912 4.820 50 0 HJAARN Cc1cccc(Nc2nccc([C@@H]3CCCN(C(=O)c4ccc(Cl)nc4)C3)n2)c1 ZINC000065148019 569184363 /nfs/dbraw/zinc/18/43/63/569184363.db2.gz RWVKZFICHXHICI-QGZVFWFLSA-N 0 0 407.905 4.597 50 0 HJAARN COCc1c2ccccc2oc1C(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000006933626 569184602 /nfs/dbraw/zinc/18/46/02/569184602.db2.gz GOTGVQBTWHXOSS-UHFFFAOYSA-N 0 0 404.418 4.531 50 0 HJAARN Cc1oc(-c2ccccc2)nc1CN1c2ccccc2[C@](O)(c2ccc(C)cc2)C1=O ZINC000065155085 569188073 /nfs/dbraw/zinc/18/80/73/569188073.db2.gz XDFJEILUZIJWIN-AREMUKBSSA-N 0 0 410.473 4.741 50 0 HJAARN O=C(c1cc(F)ccc1Cl)N1CCc2nc(-c3ccc(Cl)cc3)ncc2C1 ZINC000065168596 569188984 /nfs/dbraw/zinc/18/89/84/569188984.db2.gz NSOOCECATNQORN-UHFFFAOYSA-N 0 0 402.256 4.788 50 0 HJAARN Cc1cccc(C(=O)N2CCC[C@@H](COc3ccc(C(=O)N4CCCCC4)cc3)C2)c1 ZINC000065178584 569191828 /nfs/dbraw/zinc/19/18/28/569191828.db2.gz QPJWPDAPCQDDID-OAQYLSRUSA-N 0 0 420.553 4.552 50 0 HJAARN CCSc1ccc(-c2cccc(NC(=O)c3ccc(Br)o3)c2)nn1 ZINC000065185894 569191955 /nfs/dbraw/zinc/19/19/55/569191955.db2.gz RHOHTPIUXFYEKT-UHFFFAOYSA-N 0 0 404.289 4.863 50 0 HJAARN O=C(CSc1ccc(-c2nc(C3CC3)no2)cn1)Nc1ccc(Cl)cc1F ZINC000065185780 569191957 /nfs/dbraw/zinc/19/19/57/569191957.db2.gz BNKHKZVXJYHHOE-UHFFFAOYSA-N 0 0 404.854 4.532 50 0 HJAARN Cc1nc(S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)n(C2CCCCC2)c1C ZINC000006973361 569192005 /nfs/dbraw/zinc/19/20/05/569192005.db2.gz IBYGIYVCPWKRMQ-MRXNPFEDSA-N 0 0 415.559 4.531 50 0 HJAARN O=C(NC1CC1)[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)c1ccccc1 ZINC000006977768 569192546 /nfs/dbraw/zinc/19/25/46/569192546.db2.gz GUKUFKIXEQLRRZ-HXUWFJFHSA-N 0 0 416.506 4.639 50 0 HJAARN Cc1cc(-c2nc(-c3ccc(F)cc3)no2)c(C)n1CC(=O)N(C)Cc1ccccc1 ZINC000065195043 569193877 /nfs/dbraw/zinc/19/38/77/569193877.db2.gz XKFOANUBYPLLFA-UHFFFAOYSA-N 0 0 418.472 4.620 50 0 HJAARN COc1ccccc1NC(=O)Cn1c(C)cc(-c2nnc(-c3ccc(F)cc3)o2)c1C ZINC000065194955 569193922 /nfs/dbraw/zinc/19/39/22/569193922.db2.gz NIWBKPWRVCIBQP-UHFFFAOYSA-N 0 0 420.444 4.608 50 0 HJAARN CSc1ncccc1C(=O)NCc1ccc(-c2nc(-c3cccs3)no2)s1 ZINC000065195996 569194465 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O=C(CCCN1C(=O)c2cccc3cccc(c32)C1=O)N1CCC[C@H]1c1cccs1 ZINC000014629044 569260879 /nfs/dbraw/zinc/26/08/79/569260879.db2.gz ZEYKCARDDCYGPE-IBGZPJMESA-N 0 0 418.518 4.641 50 0 HJAARN COc1ccc(C(=O)N2CCC(Cn3nc(C)cc3C)CC2)cc1-c1ccccc1 ZINC000089594136 569261022 /nfs/dbraw/zinc/26/10/22/569261022.db2.gz HMLFHCPQJHHHOK-UHFFFAOYSA-N 0 0 403.526 4.728 50 0 HJAARN Cc1ccccc1-c1noc(-c2sccc2S(=O)(=O)N(C)c2ccccc2)n1 ZINC000016845983 569265205 /nfs/dbraw/zinc/26/52/05/569265205.db2.gz SHNOYGFNBQTNPW-UHFFFAOYSA-N 0 0 411.508 4.599 50 0 HJAARN O=C(CCc1nc2ccccc2[nH]1)NC1(c2noc(C3CCCC3)n2)CCCCCC1 ZINC000089866482 569267425 /nfs/dbraw/zinc/26/74/25/569267425.db2.gz OHDAINHGZQAJHC-UHFFFAOYSA-N 0 0 421.545 4.902 50 0 HJAARN CC(C)CS(=O)(=O)CCC(=O)N(C)[C@H](c1csc2ccccc21)[C@H]1C[C@@H]1C ZINC000089922050 569268853 /nfs/dbraw/zinc/26/88/53/569268853.db2.gz JHCZQUCWXFTZIO-WJPUGNRLSA-N 0 0 407.601 4.518 50 0 HJAARN COc1ccc(C(=O)Nc2nc3ccc4nc(SC)sc4c3s2)cc1OC ZINC000016959677 569268970 /nfs/dbraw/zinc/26/89/70/569268970.db2.gz PTCIEASBEMLZPM-UHFFFAOYSA-N 0 0 417.537 4.897 50 0 HJAARN CSc1ccccc1NC(=O)Cc1csc(NC(=O)c2ccc(Cl)cc2)n1 ZINC000016975462 569269831 /nfs/dbraw/zinc/26/98/31/569269831.db2.gz NWAJFPQLAMMIFN-UHFFFAOYSA-N 0 0 417.943 4.952 50 0 HJAARN Cc1ccc(OCC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1 ZINC000017043016 569272161 /nfs/dbraw/zinc/27/21/61/569272161.db2.gz APJCLWJFFFJBDP-UHFFFAOYSA-N 0 0 400.478 4.606 50 0 HJAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1C ZINC000017053178 569272646 /nfs/dbraw/zinc/27/26/46/569272646.db2.gz MRMRXLXVXQCNAT-UHFFFAOYSA-N 0 0 420.534 4.697 50 0 HJAARN COc1cccc(Nc2ccccc2C(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)c1 ZINC000170633585 569274858 /nfs/dbraw/zinc/27/48/58/569274858.db2.gz HRTDONNFLCKMJE-QHCPKHFHSA-N 0 0 424.447 4.931 50 0 HJAARN O=C(Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)Nc1ccc(F)c(F)c1 ZINC000017155585 569275869 /nfs/dbraw/zinc/27/58/69/569275869.db2.gz FBJXBCQJSUUHSH-UHFFFAOYSA-N 0 0 407.829 4.508 50 0 HJAARN Cc1cccc(-n2nc3nc(NCC4CC4)nc(-c4ccc(Cl)cc4)c3c2N)c1 ZINC000037358580 569276743 /nfs/dbraw/zinc/27/67/43/569276743.db2.gz RQVKXURUDOGADE-UHFFFAOYSA-N 0 0 404.905 4.848 50 0 HJAARN CCc1cccc(CC)c1NC(=O)COc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000000954928 569276955 /nfs/dbraw/zinc/27/69/55/569276955.db2.gz LIIYLRKTRCNNHQ-UHFFFAOYSA-N 0 0 408.542 4.891 50 0 HJAARN Cc1ccc(NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2C)cc1Cl ZINC000002876045 569278285 /nfs/dbraw/zinc/27/82/85/569278285.db2.gz XADBJIOISBZYBK-UHFFFAOYSA-N 0 0 411.918 4.656 50 0 HJAARN Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(Br)cc3Cl)ccc12 ZINC000002092161 569280597 /nfs/dbraw/zinc/28/05/97/569280597.db2.gz JWICTIIRXVKDJY-UHFFFAOYSA-N 0 0 422.662 4.535 50 0 biogenic HJAARN CCc1cc(=O)oc2c(C)c(OCC(=O)c3c(C)n(C)c4ccc(OC)cc43)ccc12 ZINC000002093879 569280691 /nfs/dbraw/zinc/28/06/91/569280691.db2.gz JNKXPJHOUVWQAG-UHFFFAOYSA-N 0 0 419.477 4.734 50 0 biogenic HJAARN CCCCc1cc(=O)oc2cc(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)c(Cl)cc12 ZINC000002094790 569280903 /nfs/dbraw/zinc/28/09/03/569280903.db2.gz LZXDHGMUEMCYDM-LBPRGKRZSA-N 0 0 423.893 4.608 50 0 biogenic HJAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4)C(=O)N32)cc1 ZINC000002103503 569281667 /nfs/dbraw/zinc/28/16/67/569281667.db2.gz QDZWRSVFLOXFHL-UKILVPOCSA-N 0 0 421.500 4.955 50 0 biogenic HJAARN COc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@H](c1ccc(C)cc1)N1NC=NC1=N2 ZINC000000638029 569281790 /nfs/dbraw/zinc/28/17/90/569281790.db2.gz KIYDXTJXEMXNJU-LOSJGSFVSA-N 0 0 422.488 4.808 50 0 HJAARN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccncc2)cc1 ZINC000000907624 569282395 /nfs/dbraw/zinc/28/23/95/569282395.db2.gz VIBATJBMGYZKBO-UHFFFAOYSA-N 0 0 415.522 4.677 50 0 HJAARN O=C(/C=C/c1cc(Cl)ccc1Cl)N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000027138648 569282871 /nfs/dbraw/zinc/28/28/71/569282871.db2.gz ANXNCTJVTFSWMB-RMKNXTFCSA-N 0 0 417.336 4.562 50 0 HJAARN CC(C)CNc1nc2nn(Cc3ccccc3)c(N)c2c(-c2cccc(Cl)c2)n1 ZINC000037361006 569283572 /nfs/dbraw/zinc/28/35/72/569283572.db2.gz ZGUDIRFZZMXVJH-UHFFFAOYSA-N 0 0 406.921 4.845 50 0 HJAARN CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cccc(Br)c1)CO3 ZINC000002113182 569284249 /nfs/dbraw/zinc/28/42/49/569284249.db2.gz VWRKVPDQWQOASD-UHFFFAOYSA-N 0 0 400.272 4.783 50 0 biogenic HJAARN CC(=O)Oc1ccc2c(c1)oc(=O)cc2-c1cc2cc(Cl)cc(Cl)c2oc1=O ZINC000002120273 569285360 /nfs/dbraw/zinc/28/53/60/569285360.db2.gz QNQJEDNPYSIAHQ-UHFFFAOYSA-N 0 0 417.200 4.799 50 0 biogenic HJAARN O=C(Cn1cccn1)Nc1cccc(-c2csc(Nc3ccc(F)cc3F)n2)c1 ZINC000208007348 569286884 /nfs/dbraw/zinc/28/68/84/569286884.db2.gz WOVOYZQGPPFXPA-UHFFFAOYSA-N 0 0 411.437 4.667 50 0 HJAARN CCOC(=O)c1oc2ccc(-c3coc4cc(OC(C)=O)ccc4c3=O)cc2c1C ZINC000002132533 569287350 /nfs/dbraw/zinc/28/73/50/569287350.db2.gz BAKWQPWXOWTTAY-UHFFFAOYSA-N 0 0 406.390 4.617 50 0 biogenic HJAARN Cc1ccc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)cc1 ZINC000000897299 569287671 /nfs/dbraw/zinc/28/76/71/569287671.db2.gz HWWWOXBNLAGIDD-UHFFFAOYSA-N 0 0 400.507 4.921 50 0 HJAARN COc1ccc(-c2nnc(NC(=O)c3ccc(Oc4ccccc4)cc3)o2)cc1OC ZINC000007595784 569287719 /nfs/dbraw/zinc/28/77/19/569287719.db2.gz BIYHVQQCZUMBII-UHFFFAOYSA-N 0 0 417.421 4.798 50 0 HJAARN CCc1cc(=O)n2nc(N(C)[C@H]3CCC[C@H]3c3ccc(C(F)(F)F)cc3)sc2n1 ZINC000252477820 569288640 /nfs/dbraw/zinc/28/86/40/569288640.db2.gz VWSRLLYAALTCNK-HOTGVXAUSA-N 0 0 422.476 4.505 50 0 HJAARN O=C(N[C@H](CO)c1cccc(Cl)c1F)c1ccc(SCc2cccnc2)cc1 ZINC000252484485 569289196 /nfs/dbraw/zinc/28/91/96/569289196.db2.gz FXNJJVKCAUCNIV-LJQANCHMSA-N 0 0 416.905 4.630 50 0 HJAARN Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)NCCc2cccc(Cl)c2)cc1C ZINC000002152540 569290129 /nfs/dbraw/zinc/29/01/29/569290129.db2.gz CGEHDNSVPRHASC-PXLXIMEGSA-N 0 0 422.912 4.680 50 0 HJAARN CCn1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c2ccccc21 ZINC000002163731 569292076 /nfs/dbraw/zinc/29/20/76/569292076.db2.gz PPBYDGDDOVAIGK-UDWIEESQSA-N 0 0 419.506 4.645 50 0 HJAARN COc1cccc2c1ccn2CCC(=O)N[C@H](CC(C)C)c1nc2ccccc2[nH]1 ZINC000252537786 569293237 /nfs/dbraw/zinc/29/32/37/569293237.db2.gz MIULNFTXLMESJN-HXUWFJFHSA-N 0 0 404.514 4.820 50 0 HJAARN Cc1cc(C)c2oc3c(c(=O)c2c1)[C@@H](c1cccc(O)c1)N(Cc1ccccc1)C3=O ZINC000002198123 569294743 /nfs/dbraw/zinc/29/47/43/569294743.db2.gz NNMIHHWWZLHKBD-JOCHJYFZSA-N 0 0 411.457 4.861 50 0 HJAARN CCCc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1CC ZINC000007605434 569295156 /nfs/dbraw/zinc/29/51/56/569295156.db2.gz CZBIJXJEQQZLFZ-UHFFFAOYSA-N 0 0 406.861 4.654 50 0 HJAARN Cc1cc(Cl)ccc1OCc1nnc(SCc2nnc(-c3ccccc3)o2)o1 ZINC000007604813 569295178 /nfs/dbraw/zinc/29/51/78/569295178.db2.gz BGFQICMOHWSUQQ-UHFFFAOYSA-N 0 0 414.874 4.953 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)Cn1c(=O)nc(-c2ccccc2)c2ccccc21 ZINC000007616039 569295902 /nfs/dbraw/zinc/29/59/02/569295902.db2.gz DCKOEABOVBRBNJ-UHFFFAOYSA-N 0 0 403.869 4.664 50 0 HJAARN Cc1ccccc1NC(=O)Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000007616049 569295930 /nfs/dbraw/zinc/29/59/30/569295930.db2.gz RIZGKAJGOJXDJM-UHFFFAOYSA-N 0 0 403.869 4.664 50 0 HJAARN Cc1nnc(SCC(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)n1C1CC1 ZINC000007617705 569296077 /nfs/dbraw/zinc/29/60/77/569296077.db2.gz REDAPOYQKPJGFD-UHFFFAOYSA-N 0 0 413.572 4.701 50 0 HJAARN CC[C@@H](C(=O)NCCOC)n1c(Cc2ccccc2Cl)nc2cc(C)c(C)cc21 ZINC000037398800 569297285 /nfs/dbraw/zinc/29/72/85/569297285.db2.gz QPSBUDUSNGJASS-FQEVSTJZSA-N 0 0 413.949 4.611 50 0 HJAARN CCc1nc2ccccc2c(C(=O)O[C@@H](C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)c1C ZINC000007638178 569297947 /nfs/dbraw/zinc/29/79/47/569297947.db2.gz QDLQZIIQOIVCJY-INIZCTEOSA-N 0 0 406.482 4.681 50 0 HJAARN CCN(C[C@@H]1COc2ccccc2O1)C(=O)CSc1ccc2c3c(cccc31)CC2 ZINC000007652064 569298991 /nfs/dbraw/zinc/29/89/91/569298991.db2.gz HUSTYKJPGHGGSC-LJQANCHMSA-N 0 0 419.546 4.719 50 0 HJAARN O=C(c1ccccc1F)N(Cc1cccc(F)c1)C[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000037440818 569299619 /nfs/dbraw/zinc/29/96/19/569299619.db2.gz XBYGHDPSUYXVOV-HXUWFJFHSA-N 0 0 424.422 4.940 50 0 HJAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(Cl)cc2Cl)[C@H](C)C1=O ZINC000037520789 569302933 /nfs/dbraw/zinc/30/29/33/569302933.db2.gz HNTDYYCRWAENBR-GFCCVEGCSA-N 0 0 411.716 4.833 50 0 HJAARN C[C@@H]1C(=O)N(c2ccc(F)c(Cl)c2)CCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000037520733 569302962 /nfs/dbraw/zinc/30/29/62/569302962.db2.gz APSNPOXMJIEUHG-SNVBAGLBSA-N 0 0 415.679 4.663 50 0 HJAARN CCOc1ccc(CCNC(=O)c2ccc(C(=O)c3ccccc3)cc2)cc1OCC ZINC000007737509 569304876 /nfs/dbraw/zinc/30/48/76/569304876.db2.gz XDNHYOFRVXYIQQ-UHFFFAOYSA-N 0 0 417.505 4.688 50 0 HJAARN COc1cccc(Cn2c(C(=O)NC(C)C)cc3sc(Br)cc32)c1 ZINC000037542143 569305714 /nfs/dbraw/zinc/30/57/14/569305714.db2.gz FSMKMJJCQJJFPD-UHFFFAOYSA-N 0 0 407.333 4.660 50 0 HJAARN CCC(=O)N(Cc1ccc(C)cc1)c1ccc(CC(=O)NCc2ccc(F)cc2)cc1 ZINC000037555888 569306347 /nfs/dbraw/zinc/30/63/47/569306347.db2.gz VVFBTAVLPNBFAV-UHFFFAOYSA-N 0 0 418.512 4.936 50 0 HJAARN CCC(=O)N(Cc1ccccc1)c1ccc(CC(=O)Nc2ccc(OC)cc2)cc1 ZINC000037555344 569306392 /nfs/dbraw/zinc/30/63/92/569306392.db2.gz UXHXUXOORVDNSU-UHFFFAOYSA-N 0 0 402.494 4.820 50 0 HJAARN CCCN(C)C(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)c2ccco2)cc1 ZINC000037558266 569306589 /nfs/dbraw/zinc/30/65/89/569306589.db2.gz LUJYAPZHUMDBRH-UHFFFAOYSA-N 0 0 408.473 4.677 50 0 HJAARN CCN(C(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1ccc(F)cc1 ZINC000007763817 569307879 /nfs/dbraw/zinc/30/78/79/569307879.db2.gz LJNDHLRIYKOKQB-UHFFFAOYSA-N 0 0 402.520 4.626 50 0 HJAARN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1cccc(O)c1)N(Cc1ccco1)C3=O ZINC000002213441 569308386 /nfs/dbraw/zinc/30/83/86/569308386.db2.gz POCDPWQSUHNQJW-HXUWFJFHSA-N 0 0 421.836 4.799 50 0 HJAARN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CN1CCc2ccccc21 ZINC000007778412 569308907 /nfs/dbraw/zinc/30/89/07/569308907.db2.gz VHMBIWAHMJNICR-UHFFFAOYSA-N 0 0 412.536 4.655 50 0 HJAARN CCNC(=O)[C@@H](CC)Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)CC(C)C)CC2 ZINC000037601914 569309335 /nfs/dbraw/zinc/30/93/35/569309335.db2.gz GDUMJAAPNOZYKG-NOZRDPDXSA-N 0 0 422.569 4.500 50 0 HJAARN CCCNC(=O)Cc1cccc(N(Cc2ccc(F)cc2)C(=O)c2cccc(F)c2)c1 ZINC000037601408 569309352 /nfs/dbraw/zinc/30/93/52/569309352.db2.gz MOSJFYRWSLKMJL-UHFFFAOYSA-N 0 0 422.475 4.881 50 0 HJAARN COc1cc(C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)ccc1OC(F)F ZINC000007781085 569309981 /nfs/dbraw/zinc/30/99/81/569309981.db2.gz HTHXSJDFJAREOR-FQEVSTJZSA-N 0 0 421.440 4.585 50 0 HJAARN COc1ccc(SCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000007790538 569310719 /nfs/dbraw/zinc/31/07/19/569310719.db2.gz PSRHOTAJJASRMN-KRWDZBQOSA-N 0 0 420.534 4.917 50 0 HJAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2cccc(Oc3ccccc3)c2)c1 ZINC000007795698 569311086 /nfs/dbraw/zinc/31/10/86/569311086.db2.gz ZSGDZHWZXHOXAN-UHFFFAOYSA-N 0 0 401.871 4.788 50 0 HJAARN Cc1ccc(N2C(=O)CC[C@H](C(=O)OC[C@H]3CCCCO3)[C@@H]2c2cccs2)cc1 ZINC000195531014 569312004 /nfs/dbraw/zinc/31/20/04/569312004.db2.gz SXVNDXPNDWOTIV-XQBPLPMBSA-N 0 0 413.539 4.653 50 0 HJAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CN1CCC[C@H]1c1cccn1C ZINC000007855495 569314807 /nfs/dbraw/zinc/31/48/07/569314807.db2.gz KSVORZWBBDBETD-NRFANRHFSA-N 0 0 411.933 4.734 50 0 HJAARN O=C1c2ccccc2N[C@H](c2cn(-c3ccccc3)nc2-c2cccnc2)N1C1CC1 ZINC000007886298 569315271 /nfs/dbraw/zinc/31/52/71/569315271.db2.gz AQRWLUWDKQMAAG-DEOSSOPVSA-N 0 0 407.477 4.663 50 0 HJAARN Cc1nn(C)c(C)c1/C=C1\C[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@H]1O ZINC000253508417 569317964 /nfs/dbraw/zinc/31/79/64/569317964.db2.gz IFDSJTUAVYQLDO-FPEUMRRGSA-N 0 0 412.618 4.795 50 0 HJAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000007898948 569318927 /nfs/dbraw/zinc/31/89/27/569318927.db2.gz XNHQSOBBNFXROD-IBGZPJMESA-N 0 0 412.898 4.719 50 0 HJAARN COc1ccc(-c2c(C)sc(=NC(=O)c3ccccc3)n2-c2ccccn2)cc1 ZINC000252676534 569319635 /nfs/dbraw/zinc/31/96/35/569319635.db2.gz XJLSLAYYQBPDCX-UHFFFAOYSA-N 0 0 401.491 4.659 50 0 HJAARN CCN(CC)C(=O)CSc1nc2ccc(NC(=O)c3ccc(C)cc3)cc2s1 ZINC000002231468 569319794 /nfs/dbraw/zinc/31/97/94/569319794.db2.gz ZGRWXYCJTCJSAA-UHFFFAOYSA-N 0 0 413.568 4.818 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)Cc1cccc(Cl)c1Cl ZINC000007914890 569321681 /nfs/dbraw/zinc/32/16/81/569321681.db2.gz YNIACPNPSLVTLL-UHFFFAOYSA-N 0 0 417.340 4.866 50 0 HJAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2Cc1cccc(F)c1 ZINC000002690535 569322296 /nfs/dbraw/zinc/32/22/96/569322296.db2.gz GEZHPTDLVAYJJO-UHFFFAOYSA-N 0 0 401.437 4.819 50 0 HJAARN CCc1ccc(NC(=O)Cn2nc(-c3ccccc3)cc(-c3ccccc3)c2=O)cc1 ZINC000002240410 569323605 /nfs/dbraw/zinc/32/36/05/569323605.db2.gz QULKFSVWWMSYRQ-UHFFFAOYSA-N 0 0 409.489 4.778 50 0 HJAARN Cc1nc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2F)sc1C ZINC000002257757 569324838 /nfs/dbraw/zinc/32/48/38/569324838.db2.gz XGDMVVKOAODZJI-SFHVURJKSA-N 0 0 406.438 4.755 50 0 HJAARN Cc1cccc(-n2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)c1 ZINC000002263787 569325444 /nfs/dbraw/zinc/32/54/44/569325444.db2.gz LZNOVNYWPDKVJX-UHFFFAOYSA-N 0 0 400.482 4.954 50 0 HJAARN Cc1ccccc1-n1c(C)nc2c(Br)cc(Br)cc2c1=O ZINC000002264331 569325596 /nfs/dbraw/zinc/32/55/96/569325596.db2.gz CJACSOIWUCGWST-UHFFFAOYSA-N 0 0 408.093 4.528 50 0 HJAARN CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1cc(Cl)cc(Cl)c1 ZINC000002265763 569325629 /nfs/dbraw/zinc/32/56/29/569325629.db2.gz CRPXIZOKAKDZQP-UHFFFAOYSA-N 0 0 406.273 4.506 50 0 HJAARN CCc1ccc(-n2c(N)c(C(=O)OCCC(C)C)c3nc4ccccc4nc32)cc1 ZINC000002255928 569326341 /nfs/dbraw/zinc/32/63/41/569326341.db2.gz GKWAUURFWWFJKJ-UHFFFAOYSA-N 0 0 402.498 4.921 50 0 HJAARN CN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)Cc1ccsc1 ZINC000007926934 569327536 /nfs/dbraw/zinc/32/75/36/569327536.db2.gz FGERRKWNYVHKHS-IBGZPJMESA-N 0 0 413.930 4.804 50 0 HJAARN O=C(Cc1cccc(O[C@@H]2CCCCO2)c1)c1cc(O[C@@H]2CCCCO2)ccc1O ZINC000144222959 569359534 /nfs/dbraw/zinc/35/95/34/569359534.db2.gz ZLDYHZMSPOICHG-DNQXCXABSA-N 0 0 412.482 4.628 50 0 HJAARN CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2cc(Br)c(OC)cc21 ZINC000002286881 569364535 /nfs/dbraw/zinc/36/45/35/569364535.db2.gz JPEDOZGEMIRAOI-UHFFFAOYSA-N 0 0 418.287 4.895 50 0 biogenic HJAARN Cc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)CC[C@@H](C(C)(C)C)C3 ZINC000002286052 569364637 /nfs/dbraw/zinc/36/46/37/569364637.db2.gz LHJYJBALTBQIAY-MRXNPFEDSA-N 0 0 406.555 4.613 50 0 HJAARN O=C(NC[C@](O)(c1ccsc1)c1cccs1)C1(c2cccs2)CCCC1 ZINC000253394129 569365082 /nfs/dbraw/zinc/36/50/82/569365082.db2.gz AJALLYAHOXLJNG-FQEVSTJZSA-N 0 0 403.594 4.735 50 0 HJAARN Cc1nc(C)c(CNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)o1 ZINC000253417366 569367411 /nfs/dbraw/zinc/36/74/11/569367411.db2.gz NKPPOXNHFYLPJW-UHFFFAOYSA-N 0 0 406.873 4.728 50 0 HJAARN COc1ccc(OC)c(C2=NN(C(C)=O)[C@H](c3ccc4ccccc4c3OC)C2)c1 ZINC000253433190 569370043 /nfs/dbraw/zinc/37/00/43/569370043.db2.gz TTXAXODGDCBIRO-QFIPXVFZSA-N 0 0 404.466 4.563 50 0 HJAARN O=C(Nc1cccc2cccnc21)/C(=C\c1ccccc1F)NC(=O)c1ccccc1 ZINC000002311030 569373759 /nfs/dbraw/zinc/37/37/59/569373759.db2.gz NVDKPKKBTXJWKB-CJLVFECKSA-N 0 0 411.436 4.784 50 0 HJAARN CCc1nc2sc3c(c2c(SCC(=O)Nc2ccc(OC)cc2)n1)CCCC3 ZINC000002339510 569376269 /nfs/dbraw/zinc/37/62/69/569376269.db2.gz APJNBPINGABOON-UHFFFAOYSA-N 0 0 413.568 4.872 50 0 HJAARN COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)c1 ZINC000002344475 569376643 /nfs/dbraw/zinc/37/66/43/569376643.db2.gz DCSHAUIEBZXYGO-HSZRJFAPSA-N 0 0 411.457 4.590 50 0 HJAARN Cn1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)N2CCCCC2)c2ccccc21 ZINC000002351326 569381422 /nfs/dbraw/zinc/38/14/22/569381422.db2.gz BWZZYDSLNXUJCZ-QNGOZBTKSA-N 0 0 421.928 4.615 50 0 HJAARN CC(=O)O[C@@H]1C=C2CC[C@@H]3[C@H]4CC[C@](OC(C)=O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000253534430 569382817 /nfs/dbraw/zinc/38/28/17/569382817.db2.gz JNZLFQBVNULBKB-FDUPHUDESA-N 0 0 416.558 4.772 50 0 HJAARN COCCn1ccc2cc(C(=O)N3CCCC[C@H]3c3nc4ccccc4[nH]3)ccc21 ZINC000252494824 569387641 /nfs/dbraw/zinc/38/76/41/569387641.db2.gz OFTCPJXBYVKWON-QFIPXVFZSA-N 0 0 402.498 4.531 50 0 HJAARN CSc1nc2c(sc3nc(-c4ccccc4)c4c(c32)CCC4)c(NCCCO)n1 ZINC000002366392 569388162 /nfs/dbraw/zinc/38/81/62/569388162.db2.gz VPMXVZPMUNXUOO-UHFFFAOYSA-N 0 0 422.579 4.911 50 0 HJAARN CC(C)(C)OC(=O)NCCc1nnc(SCc2ccc(Cl)cc2Cl)o1 ZINC000002382814 569391417 /nfs/dbraw/zinc/39/14/17/569391417.db2.gz WYZRCOGHLUWLER-UHFFFAOYSA-N 0 0 404.319 4.736 50 0 HJAARN Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1-c1cccc(F)c1 ZINC000002383925 569391641 /nfs/dbraw/zinc/39/16/41/569391641.db2.gz WQAPZGYEXJYBPY-UHFFFAOYSA-N 0 0 404.445 4.785 50 0 HJAARN C[C@@H](O)CNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 ZINC000002388823 569392523 /nfs/dbraw/zinc/39/25/23/569392523.db2.gz JGHSMYUMZVAXTQ-CYBMUJFWSA-N 0 0 420.538 4.551 50 0 HJAARN O=C(CSc1nc2ccccc2c(Nc2ccc(F)cc2)n1)NCc1ccco1 ZINC000009474956 569392945 /nfs/dbraw/zinc/39/29/45/569392945.db2.gz SMVOXHAUFQJHCV-UHFFFAOYSA-N 0 0 408.458 4.514 50 0 HJAARN COc1ccc(OC)c(/C=C/C(=O)N2CCc3sccc3[C@H]2c2ccccc2)c1 ZINC000009607989 569393780 /nfs/dbraw/zinc/39/37/80/569393780.db2.gz AUHSRQBBXXFKMK-NOENIZQJSA-N 0 0 405.519 4.953 50 0 HJAARN COc1ccc(OC)c(/C=C/C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)c1 ZINC000009607985 569393808 /nfs/dbraw/zinc/39/38/08/569393808.db2.gz AUHSRQBBXXFKMK-DDVUFSRBSA-N 0 0 405.519 4.953 50 0 HJAARN CC(=O)CSc1nc2ccc(NC(=O)c3cccc(Br)c3)cc2s1 ZINC000002396316 569394393 /nfs/dbraw/zinc/39/43/93/569394393.db2.gz OINPDVQOUKWEPK-UHFFFAOYSA-N 0 0 421.341 4.992 50 0 HJAARN CCCCOc1ccc(NC(=O)COc2cc(C)cc3oc(=O)c4c(c23)CCC4)cc1 ZINC000002397203 569394529 /nfs/dbraw/zinc/39/45/29/569394529.db2.gz DDHLVBZHWVHNLW-UHFFFAOYSA-N 0 0 421.493 4.787 50 0 HJAARN COc1ccccc1Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000027792576 569395426 /nfs/dbraw/zinc/39/54/26/569395426.db2.gz XYIIFRTWQKMWAI-HXUWFJFHSA-N 0 0 411.505 4.922 50 0 HJAARN Cc1ccc(OCC(=O)Nc2ccc3c(c2)nc2n3CCN(C3CCCCC3)C2)cc1 ZINC000055236335 569395434 /nfs/dbraw/zinc/39/54/34/569395434.db2.gz OYJIBJYEJDECEP-UHFFFAOYSA-N 0 0 418.541 4.511 50 0 HJAARN COc1ccccc1Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(C)c2)C1 ZINC000027792573 569395442 /nfs/dbraw/zinc/39/54/42/569395442.db2.gz XYIIFRTWQKMWAI-FQEVSTJZSA-N 0 0 411.505 4.922 50 0 HJAARN COc1ccc(Cn2c3ccccc3nc2[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 ZINC000027792729 569395450 /nfs/dbraw/zinc/39/54/50/569395450.db2.gz ACKNJYXKYJUDGX-FQEVSTJZSA-N 0 0 411.505 4.922 50 0 HJAARN COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2cc(C)ccc2C)cc1 ZINC000002407859 569396343 /nfs/dbraw/zinc/39/63/43/569396343.db2.gz QMRMWHQBABTUIB-DNRSQYFGSA-N 0 0 422.569 4.619 50 0 HJAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1Cc1ccco1 ZINC000002409682 569396474 /nfs/dbraw/zinc/39/64/74/569396474.db2.gz HVKIZNNKQOYDFR-LJQANCHMSA-N 0 0 409.800 4.924 50 0 HJAARN CCCCc1noc([C@H](C)Sc2nc3ccccc3c(=O)n2-c2ncccc2C)n1 ZINC000027809994 569396723 /nfs/dbraw/zinc/39/67/23/569396723.db2.gz RVXMLVCGORUQPI-HNNXBMFYSA-N 0 0 421.526 4.668 50 0 HJAARN Cc1ccc(NC(=O)CN2CC[C@]3(O)CCCC[C@@H]3[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000002410289 569396753 /nfs/dbraw/zinc/39/67/53/569396753.db2.gz VRUITDXLWLLLDF-NQHRYMMQSA-N 0 0 410.533 4.749 50 0 HJAARN CSc1nc2c3c4c(c(CC(C)C)nc3sc2c(SCCO)n1)CCC4 ZINC000002413138 569396830 /nfs/dbraw/zinc/39/68/30/569396830.db2.gz PNJWENKFKVLIHP-UHFFFAOYSA-N 0 0 405.614 4.733 50 0 HJAARN COCCCNc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 ZINC000002415293 569397280 /nfs/dbraw/zinc/39/72/80/569397280.db2.gz ZWGUZTIURYRSRE-UHFFFAOYSA-N 0 0 414.575 4.738 50 0 HJAARN Cc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 ZINC000002417588 569397537 /nfs/dbraw/zinc/39/75/37/569397537.db2.gz CGUVAVYGSRWKBY-RPWUZVMVSA-N 0 0 410.452 4.938 50 0 HJAARN Cc1cc(C)c2c(n1)N(Cc1ccccc1)[C@H](c1ccc(Br)cc1)NC2=O ZINC000012446269 569401459 /nfs/dbraw/zinc/40/14/59/569401459.db2.gz UMLAXAVCNXBCJE-HXUWFJFHSA-N 0 0 422.326 4.910 50 0 HJAARN Cc1ccc2[nH]c3nc(SCCCC4(c5ccc(F)cc5)OCCO4)nnc3c2c1 ZINC000012487107 569401578 /nfs/dbraw/zinc/40/15/78/569401578.db2.gz QGVXZSMQLJKEPG-UHFFFAOYSA-N 0 0 424.501 4.726 50 0 HJAARN O=C(c1ccc(Cn2nnc3ccccc32)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000007947494 569402903 /nfs/dbraw/zinc/40/29/03/569402903.db2.gz YVVYJOFSADDHJJ-UHFFFAOYSA-N 0 0 410.521 4.575 50 0 HJAARN CC(C)n1ncc2cc(NC(=O)Cc3csc(-c4cccc(Cl)c4)n3)cnc21 ZINC000012808849 569403707 /nfs/dbraw/zinc/40/37/07/569403707.db2.gz RVGAAJDSMRCUTH-UHFFFAOYSA-N 0 0 411.918 4.970 50 0 HJAARN Cc1nc2oc(C(=O)c3ccc(Br)cc3)c(N)c2c2c1COC(C)(C)C2 ZINC000037868582 569404484 /nfs/dbraw/zinc/40/44/84/569404484.db2.gz IXYBBSZDBKTHRH-UHFFFAOYSA-N 0 0 415.287 4.563 50 0 HJAARN CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2CC)cc1 ZINC000002452589 569405325 /nfs/dbraw/zinc/40/53/25/569405325.db2.gz MFXRJHDWFHQEBJ-UHFFFAOYSA-N 0 0 416.934 4.748 50 0 HJAARN C[C@H](NC(=O)NCc1cccc(NC(=O)C2CC2)c1)c1ccc(Cl)cc1Cl ZINC000012993626 569406228 /nfs/dbraw/zinc/40/62/28/569406228.db2.gz HARWQBBJGPVJRT-LBPRGKRZSA-N 0 0 406.313 4.902 50 0 HJAARN Cc1ccn(-c2ccc(Nc3ccc(NC(=O)c4cccc(Cl)c4)cc3)nn2)n1 ZINC000013009656 569407061 /nfs/dbraw/zinc/40/70/61/569407061.db2.gz FOLHWVOHKGFVSA-UHFFFAOYSA-N 0 0 404.861 4.620 50 0 HJAARN CCOc1ccc(OCCSCCC(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000013018183 569407374 /nfs/dbraw/zinc/40/73/74/569407374.db2.gz MNUHCCAFLFNFLO-UHFFFAOYSA-N 0 0 409.935 4.888 50 0 HJAARN O=C(NCCc1nc2ccccc2n1Cc1c(F)cccc1Cl)c1cccs1 ZINC000013031017 569407487 /nfs/dbraw/zinc/40/74/87/569407487.db2.gz KHVFRYPFXLQHKJ-UHFFFAOYSA-N 0 0 413.905 4.911 50 0 HJAARN Clc1ccc2c(c1)[C@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@@H](c1cccnc1)O2 ZINC000013036202 569407517 /nfs/dbraw/zinc/40/75/17/569407517.db2.gz FZSWFHLKWRHBCI-XMSQKQJNSA-N 0 0 405.841 4.706 50 0 HJAARN O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)c1cccc(F)c1 ZINC000013121137 569409509 /nfs/dbraw/zinc/40/95/09/569409509.db2.gz WADYNMWFJRCIDQ-UHFFFAOYSA-N 0 0 417.893 4.960 50 0 HJAARN CC(=O)Oc1ccc(-c2cccc(C(=O)OCc3nnc(-c4cccs4)o3)c2)cc1 ZINC000013149571 569410060 /nfs/dbraw/zinc/41/00/60/569410060.db2.gz MUSSTTPHUIQQHA-UHFFFAOYSA-N 0 0 420.446 4.747 50 0 HJAARN O=C(Nc1ccc(CCc2nc3ccccc3[nH]2)cc1)Nc1ccc2c(c1)OCO2 ZINC000013348168 569410898 /nfs/dbraw/zinc/41/08/98/569410898.db2.gz ASAGHRYXJFFSQO-UHFFFAOYSA-N 0 0 400.438 4.721 50 0 HJAARN Cc1ccc(-n2nc(S[C@H](C)C(=O)Nc3cc(Cl)ccc3C)ccc2=O)cc1 ZINC000013350206 569411203 /nfs/dbraw/zinc/41/12/03/569411203.db2.gz QILQOMXWLHDPKD-OAHLLOKOSA-N 0 0 413.930 4.622 50 0 HJAARN COc1ccc(NS(=O)(=O)c2cc(-c3csc(C)n3)ccc2C)cc1Cl ZINC000013358095 569411468 /nfs/dbraw/zinc/41/14/68/569411468.db2.gz QBWZGALDIIVXAD-UHFFFAOYSA-N 0 0 408.932 4.890 50 0 HJAARN Cc1ccc(NC(=O)Nc2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)c(C)c1 ZINC000013359778 569411748 /nfs/dbraw/zinc/41/17/48/569411748.db2.gz UAQCDMYYIJVBDP-UHFFFAOYSA-N 0 0 421.522 4.699 50 0 HJAARN Cc1ccc(C(=O)Nc2ccc(SCc3cc(=O)n4ccccc4n3)cc2)cc1 ZINC000013365379 569412188 /nfs/dbraw/zinc/41/21/88/569412188.db2.gz IGNKRDSQXHLLRV-UHFFFAOYSA-N 0 0 401.491 4.548 50 0 HJAARN COc1ccc(OC)c(Nc2cc(C)nc3nc(C45CC6CC(CC(C6)C4)C5)nn32)c1 ZINC000013364724 569412253 /nfs/dbraw/zinc/41/22/53/569412253.db2.gz PDZSJNQNJXWYAY-UHFFFAOYSA-N 0 0 419.529 4.661 50 0 HJAARN C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000328593262 569415564 /nfs/dbraw/zinc/41/55/64/569415564.db2.gz UFEHLSQUEYDGHZ-XHDPSFHLSA-N 0 0 413.326 4.741 50 0 HJAARN O=C(Nc1cccc(Oc2cccnn2)c1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000078879142 569421458 /nfs/dbraw/zinc/42/14/58/569421458.db2.gz REXWXTGOKSUYME-UHFFFAOYSA-N 0 0 423.432 4.967 50 0 HJAARN CC1(C)CCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccco2)C1 ZINC000078934877 569421740 /nfs/dbraw/zinc/42/17/40/569421740.db2.gz GVAODLPDLRYAKA-UHFFFAOYSA-N 0 0 400.482 4.612 50 0 HJAARN CC(C)c1c(C(=O)Nc2cccc(Nc3cnn(C)c3)c2)cnn1-c1ccc(F)cc1 ZINC000078968644 569422337 /nfs/dbraw/zinc/42/23/37/569422337.db2.gz VOZXTLZJBJBGSZ-UHFFFAOYSA-N 0 0 418.476 4.864 50 0 HJAARN C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)CSc1ccncc1 ZINC000079019169 569424146 /nfs/dbraw/zinc/42/41/46/569424146.db2.gz GPWHBJJAYPMMTK-GFCCVEGCSA-N 0 0 407.326 4.925 50 0 HJAARN O=C(Cc1csc(-c2cc(Br)cs2)n1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000079022418 569424444 /nfs/dbraw/zinc/42/44/44/569424444.db2.gz NWIPXBSKUDTBFN-VXGBXAGGSA-N 0 0 411.390 4.825 50 0 HJAARN Cc1cc2nc(-c3ccc(CNC(=O)CSCc4cccnc4)cc3)[nH]c2cc1C ZINC000079050840 569425548 /nfs/dbraw/zinc/42/55/48/569425548.db2.gz VZOIHOUZPRDKOS-UHFFFAOYSA-N 0 0 416.550 4.791 50 0 HJAARN COc1ccc(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cc1OC ZINC000015425721 571044017 /nfs/dbraw/zinc/04/40/17/571044017.db2.gz RBQBMLOVFFKBBI-UHFFFAOYSA-N 0 0 411.458 4.804 50 0 HJAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1nn(Cc2ccc(F)cc2)c2ccccc21 ZINC000299817220 571049808 /nfs/dbraw/zinc/04/98/08/571049808.db2.gz MWBHSNBPUSKVDD-UHFFFAOYSA-N 0 0 403.501 4.922 50 0 in-vitro HJAARN CC[C@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1cccc(C(C)C)c1 ZINC000067239146 571051539 /nfs/dbraw/zinc/05/15/39/571051539.db2.gz HKKICPPSQWKTOE-HNNXBMFYSA-N 0 0 412.559 4.858 50 0 HJAARN CCCCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1[C@H](CC)N(C)C ZINC000008473263 571053081 /nfs/dbraw/zinc/05/30/81/571053081.db2.gz VMLQFQLQIIUTRB-IBGZPJMESA-N 0 0 417.623 4.945 50 0 HJAARN Cc1ccc(C(=O)C[C@H](C(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008475327 571053363 /nfs/dbraw/zinc/05/33/63/571053363.db2.gz JLKNSOZBSADQDV-XMMPIXPASA-N 0 0 420.530 4.910 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)CSc1cc(C)nc(-c2ccc(F)cc2)n1 ZINC000067257232 571056931 /nfs/dbraw/zinc/05/69/31/571056931.db2.gz PKPKETGUUWJUOF-UHFFFAOYSA-N 0 0 417.893 4.984 50 0 HJAARN CC(C)(C)c1ccc(Cn2c3ccsc3c(=O)n(-c3ccccc3F)c2=O)cc1 ZINC000067258202 571057631 /nfs/dbraw/zinc/05/76/31/571057631.db2.gz DLEHKHUUCUIQIJ-UHFFFAOYSA-N 0 0 408.498 4.699 50 0 HJAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccccc2F)c(OC)c1 ZINC000067258903 571058271 /nfs/dbraw/zinc/05/82/71/571058271.db2.gz NWEPWNCNSQLPIA-UHFFFAOYSA-N 0 0 422.481 4.834 50 0 HJAARN COc1cccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)c1 ZINC000067259259 571058641 /nfs/dbraw/zinc/05/86/41/571058641.db2.gz PTXUKVIUXBWLIA-UHFFFAOYSA-N 0 0 406.482 4.885 50 0 HJAARN Cc1c(-c2nc(-c3cccs3)no2)sc2ncn(Cc3ccccc3F)c(=O)c12 ZINC000067260390 571059609 /nfs/dbraw/zinc/05/96/09/571059609.db2.gz QLRKTFGOVNEYQK-UHFFFAOYSA-N 0 0 424.482 4.732 50 0 HJAARN O=C(Cc1ccc(NC(=O)c2ncc(-c3ccccc3)o2)cc1)NCc1cccs1 ZINC000038678466 571060963 /nfs/dbraw/zinc/06/09/63/571060963.db2.gz VWIUUVGSZWFWIZ-UHFFFAOYSA-N 0 0 417.490 4.514 50 0 HJAARN COc1ccc(Cl)cc1-c1nc(SCC(=O)Nc2c(C)cc(C)cc2C)n[nH]1 ZINC000008491093 571061065 /nfs/dbraw/zinc/06/10/65/571061065.db2.gz DECCUAWGTSMQCD-UHFFFAOYSA-N 0 0 416.934 4.790 50 0 HJAARN CCOc1ccccc1NC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccccc1)CC2 ZINC000038678236 571061093 /nfs/dbraw/zinc/06/10/93/571061093.db2.gz MRGJCBBWFKAHKO-UHFFFAOYSA-N 0 0 415.493 4.928 50 0 HJAARN CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000008498677 571062195 /nfs/dbraw/zinc/06/21/95/571062195.db2.gz GGAPVSJTFNKOEQ-FQEVSTJZSA-N 0 0 400.906 4.762 50 0 HJAARN Cc1ccc(-c2cc3c(N4CCN(c5cccc(Cl)c5)CC4)nccn3n2)c(C)c1 ZINC000067285132 571064022 /nfs/dbraw/zinc/06/40/22/571064022.db2.gz SLYNKOONPULDNF-UHFFFAOYSA-N 0 0 417.944 4.993 50 0 HJAARN CCOc1cc(CNc2c(C(=O)N3CCCC3)cnc3ccc(F)cc32)ccc1OC ZINC000067288312 571066281 /nfs/dbraw/zinc/06/62/81/571066281.db2.gz YAQKGCZANSVDDX-UHFFFAOYSA-N 0 0 423.488 4.629 50 0 HJAARN Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(F)cc4)nccn3n2)cc1C ZINC000067289794 571066550 /nfs/dbraw/zinc/06/65/50/571066550.db2.gz JFOFJDJMFMLKTI-UHFFFAOYSA-N 0 0 406.486 4.883 50 0 HJAARN CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4C)nccn3n2)cc1 ZINC000067290363 571067402 /nfs/dbraw/zinc/06/74/02/571067402.db2.gz YPGMXCPJSNMUGO-UHFFFAOYSA-N 0 0 418.522 4.834 50 0 HJAARN Cc1cc(C)cc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)c1 ZINC000067292757 571068220 /nfs/dbraw/zinc/06/82/20/571068220.db2.gz PAFBBDBULNEGOU-HGFVNXKRSA-N 0 0 410.901 4.844 50 0 HJAARN Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)cc1F ZINC000067293021 571068750 /nfs/dbraw/zinc/06/87/50/571068750.db2.gz WHXPHRHRHUOSNZ-LYYOGKFUSA-N 0 0 414.864 4.675 50 0 HJAARN Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(Cl)cc2)nc1 ZINC000067294340 571069822 /nfs/dbraw/zinc/06/98/22/571069822.db2.gz QGHNRWMVTUWWJU-LVWGJNHUSA-N 0 0 405.841 4.980 50 0 HJAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(F)cc3F)oc21 ZINC000067295697 571070806 /nfs/dbraw/zinc/07/08/06/571070806.db2.gz GVTPQMABCGZDFG-VYIQYICTSA-N 0 0 421.403 4.908 50 0 HJAARN COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)n2)cc1OC ZINC000067296707 571071048 /nfs/dbraw/zinc/07/10/48/571071048.db2.gz NAROPGQGANUFNG-LCUIJRPUSA-N 0 0 415.449 4.638 50 0 HJAARN Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C(N)=O)cc2)c(C)c1 ZINC000067297172 571071492 /nfs/dbraw/zinc/07/14/92/571071492.db2.gz WGEDOYINFDNZLZ-RFBIWTDZSA-N 0 0 411.461 4.633 50 0 HJAARN COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)c(OC)c1 ZINC000067297354 571071833 /nfs/dbraw/zinc/07/18/33/571071833.db2.gz UISQZMRNPLBXQF-LCUIJRPUSA-N 0 0 400.434 4.935 50 0 HJAARN O=C(Nc1nccs1)c1cc2ccc(O)cc2o/c1=N\c1cc(Cl)ccc1F ZINC000067298245 571072521 /nfs/dbraw/zinc/07/25/21/571072521.db2.gz NBBCNURXUNRBQY-NKFKGCMQSA-N 0 0 415.833 4.872 50 0 HJAARN COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3cccc(C)c3C)oc21 ZINC000067298932 571072990 /nfs/dbraw/zinc/07/29/90/571072990.db2.gz XPLQUEUVMJVHMO-LCUIJRPUSA-N 0 0 402.450 4.814 50 0 HJAARN CCOc1ccc(/N=c2\oc3c(cccc3OC)cc2C(=O)NCc2ccco2)cc1 ZINC000067298960 571072998 /nfs/dbraw/zinc/07/29/98/571072998.db2.gz KXYYHQHBOPUZNU-LCUIJRPUSA-N 0 0 418.449 4.596 50 0 HJAARN CC[C@H](C)n1c(SCC(=O)Nc2ccc(C)c(C)c2)nc2ccsc2c1=O ZINC000067335173 571079554 /nfs/dbraw/zinc/07/95/54/571079554.db2.gz NSDLXVVSDQBNCG-AWEZNQCLSA-N 0 0 401.557 4.777 50 0 HJAARN CCCCn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2cc(F)c(F)cc21 ZINC000067340631 571080765 /nfs/dbraw/zinc/08/07/65/571080765.db2.gz UVRBWCZIZOMEMQ-UHFFFAOYSA-N 0 0 411.857 4.566 50 0 HJAARN COc1cccc2cc(C(=O)Nc3ccc(-c4ccc(N5CCCC5)nn4)cc3)oc21 ZINC000038787357 571082114 /nfs/dbraw/zinc/08/21/14/571082114.db2.gz PLDGVWYBXHKIDP-UHFFFAOYSA-N 0 0 414.465 4.751 50 0 HJAARN COc1cc(CN(C(=O)c2cccc(Cl)c2)c2ccccn2)cc(OC)c1OC ZINC000008586713 571083149 /nfs/dbraw/zinc/08/31/49/571083149.db2.gz KXYPCTMKRUTTCP-UHFFFAOYSA-N 0 0 412.873 4.608 50 0 HJAARN CCc1ccc(-n2nc(C)c3c2NC(=O)CS[C@H]3c2ccc(OC)cc2OC)cc1 ZINC000008587211 571083505 /nfs/dbraw/zinc/08/35/05/571083505.db2.gz NFDNPSGCOBVRCQ-QFIPXVFZSA-N 0 0 423.538 4.535 50 0 HJAARN CC(=O)c1ccc(NC(=O)C[C@H](c2cccs2)N2Cc3ccccc3C2=O)cc1 ZINC000008592270 571086256 /nfs/dbraw/zinc/08/62/56/571086256.db2.gz UWHYPHNNDSRCOZ-HXUWFJFHSA-N 0 0 404.491 4.677 50 0 HJAARN CCc1ccc(-n2nnc(-c3nsc(NC(=O)c4ccccc4Cl)n3)c2C)cc1 ZINC000008592367 571086325 /nfs/dbraw/zinc/08/63/25/571086325.db2.gz ZRMDQZYORVIIGH-UHFFFAOYSA-N 0 0 424.917 4.562 50 0 aggregator HJAARN O=C(CSc1nc2ccccc2nc1Cc1ccc(Cl)cc1)N1CCCCC1 ZINC000008598005 571088483 /nfs/dbraw/zinc/08/84/83/571088483.db2.gz KLCZWJLZZLZCCP-UHFFFAOYSA-N 0 0 411.958 4.979 50 0 HJAARN CCOc1ccc(C(=O)c2cn(Cc3ccc(F)cc3)c3ccc(F)cc3c2=O)cc1 ZINC000008598665 571088893 /nfs/dbraw/zinc/08/88/93/571088893.db2.gz YHEXARSTAUQJBQ-UHFFFAOYSA-N 0 0 419.427 4.958 50 0 HJAARN CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)c2nsc3ccccc32)c1 ZINC000008599639 571089040 /nfs/dbraw/zinc/08/90/40/571089040.db2.gz AMPBXPOTWKUQNI-UHFFFAOYSA-N 0 0 401.491 4.821 50 0 HJAARN O=C(Nc1ccccc1C(=O)NCc1cccc(F)c1)c1nsc2ccccc21 ZINC000008599163 571089165 /nfs/dbraw/zinc/08/91/65/571089165.db2.gz ZWSLJIFYDPKRSQ-UHFFFAOYSA-N 0 0 405.454 4.618 50 0 aggregator HJAARN COc1ccc(-n2cc(C(=O)OCc3ccc(F)c(F)c3)c3ccccc3c2=O)cc1 ZINC000008600256 571089907 /nfs/dbraw/zinc/08/99/07/571089907.db2.gz OCTGVIFLOBJTKW-UHFFFAOYSA-N 0 0 421.399 4.635 50 0 HJAARN COc1cc2ccccc2cc1C(=O)N1CCN(c2nc3ccc(F)cc3s2)CC1 ZINC000008601718 571090518 /nfs/dbraw/zinc/09/05/18/571090518.db2.gz LMNQMUXISGEABX-UHFFFAOYSA-N 0 0 421.497 4.560 50 0 HJAARN CC[C@H](C(=O)NCc1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1)c1ccccc1 ZINC000008602163 571090902 /nfs/dbraw/zinc/09/09/02/571090902.db2.gz ZZKFNNDMPFUYRC-QHCPKHFHSA-N 0 0 416.496 4.839 50 0 HJAARN Cc1c(-c2nsc(NC(=O)c3ccccc3Cl)n2)nnn1-c1cc(C)cc(C)c1 ZINC000008648273 571098101 /nfs/dbraw/zinc/09/81/01/571098101.db2.gz MVSVXQCHUHYDTM-UHFFFAOYSA-N 0 0 424.917 4.617 50 0 HJAARN C[C@H](Sc1nc(-c2ccc(Br)cc2)c[nH]1)C(=O)NC1CCCCC1 ZINC000008719798 571106728 /nfs/dbraw/zinc/10/67/28/571106728.db2.gz VMHFKNHJCRXVLJ-LBPRGKRZSA-N 0 0 408.365 4.769 50 0 HJAARN O=C(CSc1nnc(Nc2ccccc2)s1)Nc1ccccc1N1CCCC1 ZINC000008723752 571107438 /nfs/dbraw/zinc/10/74/38/571107438.db2.gz DFWWGMTXJGNZKB-UHFFFAOYSA-N 0 0 411.556 4.613 50 0 HJAARN O=C(CSc1nnc(NCCc2ccccc2)s1)Nc1ccccc1Cl ZINC000008734474 571109763 /nfs/dbraw/zinc/10/97/63/571109763.db2.gz WSXVRNNGTSGBDQ-UHFFFAOYSA-N 0 0 404.948 4.577 50 0 HJAARN Cc1nc(NC(=O)Nc2ccccc2)sc1C(=O)NCc1ccccc1Cl ZINC000008770544 571116920 /nfs/dbraw/zinc/11/69/20/571116920.db2.gz QDOFJCABNCNXIN-UHFFFAOYSA-N 0 0 400.891 4.679 50 0 HJAARN COc1cccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3Cl)s2)c1OC ZINC000008791341 571120073 /nfs/dbraw/zinc/12/00/73/571120073.db2.gz DHVVCZQIWNBTEH-UHFFFAOYSA-N 0 0 410.282 4.781 50 0 HJAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCc1ccccn1)occ3-c1ccccc1 ZINC000008792035 571120158 /nfs/dbraw/zinc/12/01/58/571120158.db2.gz YONDMSDMGCLZRR-UHFFFAOYSA-N 0 0 424.456 4.769 50 0 biogenic HJAARN CCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CC)cc1OCC ZINC000008845836 571125371 /nfs/dbraw/zinc/12/53/71/571125371.db2.gz QUPBNEBVQKKLBF-QHCPKHFHSA-N 0 0 421.497 4.535 50 0 HJAARN O=C(Cc1csc(SCc2ccc(Cl)cc2)n1)Nc1ccc2c(c1)OCO2 ZINC000008854450 571127640 /nfs/dbraw/zinc/12/76/40/571127640.db2.gz MKLLOSKGFNRKMX-UHFFFAOYSA-N 0 0 418.927 4.999 50 0 HJAARN O=C(c1ccc(Br)cc1)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 ZINC000008868394 571129622 /nfs/dbraw/zinc/12/96/22/571129622.db2.gz UJSNRWNCRKUVLD-SFHVURJKSA-N 0 0 408.723 4.924 50 0 HJAARN CC1CCN(c2oc(-c3ccccc3)nc2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000039843957 571134518 /nfs/dbraw/zinc/13/45/18/571134518.db2.gz PHFAEPQIYSWCDP-UHFFFAOYSA-N 0 0 400.475 4.550 50 0 HJAARN Cc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(N3CCC(C)CC3)o2)cc1 ZINC000039843958 571134530 /nfs/dbraw/zinc/13/45/30/571134530.db2.gz ZOBDATGUVLMSQN-UHFFFAOYSA-N 0 0 414.502 4.858 50 0 HJAARN Cc1cccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(NCc3cccnc3)o2)c1 ZINC000039844357 571134561 /nfs/dbraw/zinc/13/45/61/571134561.db2.gz SRNFGZLBDONYAO-UHFFFAOYSA-N 0 0 423.469 4.629 50 0 HJAARN O=C(NC(c1ccccc1)c1ccccc1)[C@@H](c1ccccc1Cl)N1CCC1=O ZINC000039931663 571134921 /nfs/dbraw/zinc/13/49/21/571134921.db2.gz PDLYCQKDMMVUEW-HSZRJFAPSA-N 0 0 404.897 4.519 50 0 HJAARN O=C(Nc1nc2ccc(F)cc2s1)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000039984270 571136616 /nfs/dbraw/zinc/13/66/16/571136616.db2.gz YKKBNSVRSCMYCN-UHFFFAOYSA-N 0 0 422.485 4.514 50 0 HJAARN CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CCC[C@H](c4nnc5ccccn54)C3)cc2C1 ZINC000040011956 571137976 /nfs/dbraw/zinc/13/79/76/571137976.db2.gz YEWSSJHRESCSMX-FUHWJXTLSA-N 0 0 422.598 4.962 50 0 HJAARN CNc1snc(C)c1C(=O)OCc1csc(-c2cccc(Br)c2)n1 ZINC000040012698 571138367 /nfs/dbraw/zinc/13/83/67/571138367.db2.gz ZTKRINMSBQRCPL-UHFFFAOYSA-N 0 0 424.345 4.736 50 0 HJAARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CCOc1ccccc1 ZINC000040040449 571142564 /nfs/dbraw/zinc/14/25/64/571142564.db2.gz NYBXUJFYEWTNBN-LJQANCHMSA-N 0 0 402.494 4.927 50 0 HJAARN Cc1nc(CSc2ccccc2C(=O)N(C)Cc2nc3ccccc3s2)no1 ZINC000040050166 571144024 /nfs/dbraw/zinc/14/40/24/571144024.db2.gz DIEBMILMIBSSLC-UHFFFAOYSA-N 0 0 410.524 4.552 50 0 HJAARN O=C(Nc1nc2c(s1)CCC2)c1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000040050878 571144716 /nfs/dbraw/zinc/14/47/16/571144716.db2.gz DYMDDDJNOTZJOV-UHFFFAOYSA-N 0 0 400.507 4.796 50 0 HJAARN O=C(CSCc1nc(-c2cccc(C(F)(F)F)c2)no1)Nc1cccc(F)c1 ZINC000040067464 571148308 /nfs/dbraw/zinc/14/83/08/571148308.db2.gz QLRVFMWWISOIBL-UHFFFAOYSA-N 0 0 411.380 4.766 50 0 HJAARN Cc1ccccc1[C@@H](C)NC(=O)CSCc1nc(-c2cccc(Cl)c2)no1 ZINC000040067427 571148379 /nfs/dbraw/zinc/14/83/79/571148379.db2.gz UPBMXQGHHGBFNB-CQSZACIVSA-N 0 0 401.919 4.809 50 0 HJAARN CC(C)(C)c1nc2cc(NC(=O)[C@H]3CCCN(C(=O)c4cccs4)C3)ccc2o1 ZINC000040081664 571156079 /nfs/dbraw/zinc/15/60/79/571156079.db2.gz LKYARUZCZJEREM-AWEZNQCLSA-N 0 0 411.527 4.678 50 0 HJAARN CCN(Cc1cccc(NC(=O)Cc2c(F)cccc2Cl)c1)C(=O)C(F)(F)F ZINC000040088012 571158279 /nfs/dbraw/zinc/15/82/79/571158279.db2.gz MIGBCELWAIVAOR-UHFFFAOYSA-N 0 0 416.802 4.571 50 0 HJAARN Cc1c(NC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000040094948 571162078 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O=C(NCc1cccc(C(F)(F)F)c1)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000040104463 571165371 /nfs/dbraw/zinc/16/53/71/571165371.db2.gz DHFPCSNJVOFNAK-UHFFFAOYSA-N 0 0 403.360 4.872 50 0 HJAARN CN(CCCNC(=O)Nc1cccc(NC(=O)c2cccs2)c1)c1ccccc1 ZINC000040104507 571165381 /nfs/dbraw/zinc/16/53/81/571165381.db2.gz UODHDHXELKZWQD-UHFFFAOYSA-N 0 0 408.527 4.648 50 0 HJAARN O=C(CCCc1cccs1)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 ZINC000040107805 571167921 /nfs/dbraw/zinc/16/79/21/571167921.db2.gz VSSLJZSAAYPVOK-SFHVURJKSA-N 0 0 424.488 4.570 50 0 HJAARN CC[C@@H](C(=O)Nc1ccc(C)c(NS(=O)(=O)c2ccccc2)c1)c1ccccc1 ZINC000040108862 571168325 /nfs/dbraw/zinc/16/83/25/571168325.db2.gz XQEKIXIXPGJZGO-OAQYLSRUSA-N 0 0 408.523 4.928 50 0 HJAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](C)Cc2ccccc2Cl)cc1 ZINC000040112097 571170188 /nfs/dbraw/zinc/17/01/88/571170188.db2.gz ABHXCLLJAXYKMX-OAHLLOKOSA-N 0 0 414.962 4.707 50 0 HJAARN Cc1cc(CSc2ncccc2C(=O)N[C@H](C)c2cccc(OC(C)C)c2)no1 ZINC000040112754 571170929 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CCCCn1c(SCc2nc(-c3ccc(C)cc3)no2)nc2ccccc2c1=O ZINC000010021196 571294030 /nfs/dbraw/zinc/29/40/30/571294030.db2.gz FSDROFUCYWCKPT-UHFFFAOYSA-N 0 0 406.511 4.847 50 0 HJAARN Clc1ccc2c(c1)[C@@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@@H](c1cccnc1)O2 ZINC000010215172 571296972 /nfs/dbraw/zinc/29/69/72/571296972.db2.gz FZSWFHLKWRHBCI-PGRDOPGGSA-N 0 0 405.841 4.706 50 0 HJAARN CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2cccnc2)cc1 ZINC000010215690 571297124 /nfs/dbraw/zinc/29/71/24/571297124.db2.gz RZVWGTYZSLYWKF-ZJSXRUAMSA-N 0 0 401.466 4.731 50 0 HJAARN O=C(Nc1c2ccccc2oc1C(=O)c1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000010233249 571297670 /nfs/dbraw/zinc/29/76/70/571297670.db2.gz XADYOALSMOMHJP-UHFFFAOYSA-N 0 0 417.392 4.826 50 0 HJAARN Cc1ccc(NC(=O)c2cccc(S(=O)(=O)C(C)C)c2)c(C(=O)c2ccccc2)c1 ZINC000010253404 571298495 /nfs/dbraw/zinc/29/84/95/571298495.db2.gz RNPCMTOKTHLGBD-UHFFFAOYSA-N 0 0 421.518 4.660 50 0 HJAARN CC(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1 ZINC000010253410 571298520 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COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)Nc2ccc(C)cn2)cc1OC ZINC000010429957 571302439 /nfs/dbraw/zinc/30/24/39/571302439.db2.gz KOFSTOUMBQTLIH-UHFFFAOYSA-N 0 0 414.465 4.512 50 0 HJAARN COc1cc2sc(NC(=O)c3ccc(Br)cc3)nc2c2cccnc12 ZINC000013733178 571308769 /nfs/dbraw/zinc/30/87/69/571308769.db2.gz VMVAGWAYIQDKBJ-UHFFFAOYSA-N 0 0 414.284 4.868 50 0 HJAARN O=C(Nc1ccccc1)O[C@H]1CCC[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000077200130 571312791 /nfs/dbraw/zinc/31/27/91/571312791.db2.gz HRQSPBRBXCQAJH-MSOLQXFVSA-N 0 0 406.404 4.995 50 0 HJAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]12C ZINC000019911776 571314430 /nfs/dbraw/zinc/31/44/30/571314430.db2.gz LOJPGRHPJBGMMF-JMLRKYPHSA-N 0 0 404.591 4.775 50 0 HJAARN Cc1cc(N2C(=O)c3ccccc3[C@@H]2C(=O)NCCC(C)C)ccc1Br ZINC000021716487 571315003 /nfs/dbraw/zinc/31/50/03/571315003.db2.gz KIQOFPLWJAHXHP-LJQANCHMSA-N 0 0 415.331 4.621 50 0 HJAARN CCOc1ccc(S(=O)(=O)Nc2cccc(-c3nc4cccnc4s3)c2)cc1 ZINC000004200728 571316176 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CCc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccco1 ZINC000002403413 557345034 /nfs/dbraw/zinc/34/50/34/557345034.db2.gz MXLPFMLNUTXUNC-UHFFFAOYSA-N 0 0 424.551 4.941 50 0 HJAARN Cc1ccnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(F)cc2)c1 ZINC000002405302 557345265 /nfs/dbraw/zinc/34/52/65/557345265.db2.gz GDIZMLKSTOTXAZ-FQEVSTJZSA-N 0 0 404.372 4.524 50 0 HJAARN CC(C)c1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4ccc(F)cc4)nc3C2)cc1 ZINC000002411340 557345517 /nfs/dbraw/zinc/34/55/17/557345517.db2.gz ZAFUBSBPKWIGKB-GOSISDBHSA-N 0 0 403.457 4.904 50 0 HJAARN CC(C)C(=O)Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000002421112 557346123 /nfs/dbraw/zinc/34/61/23/557346123.db2.gz UGTOXIVUUDKUPL-ROUUACIJSA-N 0 0 413.884 4.811 50 0 HJAARN CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1cccc(Cl)c1 ZINC000002447155 557348662 /nfs/dbraw/zinc/34/86/62/557348662.db2.gz AIPHRSMPZDYYDQ-UHFFFAOYSA-N 0 0 400.935 4.966 50 0 HJAARN CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1cccc(Cl)c1 ZINC000002450684 557349225 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Cn1c(COc2ccc3ccccc3c2)c(Br)c(=O)n1-c1ccccc1 ZINC000002561719 557356546 /nfs/dbraw/zinc/35/65/46/557356546.db2.gz HTCBKMGQQNZHAQ-UHFFFAOYSA-N 0 0 409.283 4.671 50 0 HJAARN CC(C)CC(=O)N[C@H](Nc1cccc(Br)c1)C(Cl)(Cl)Cl ZINC000002666954 557365982 /nfs/dbraw/zinc/36/59/82/557365982.db2.gz OEKYPZBGSBVKRJ-LBPRGKRZSA-N 0 0 402.547 4.720 50 0 HJAARN CCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl ZINC000002678316 557367233 /nfs/dbraw/zinc/36/72/33/557367233.db2.gz PZVLNXQNMZIAIJ-AWEZNQCLSA-N 0 0 410.798 4.756 50 0 HJAARN CC(C)CNC(=O)Cc1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccccc2)cc1 ZINC000034679701 557367766 /nfs/dbraw/zinc/36/77/66/557367766.db2.gz WDXXDLUAVZFJLL-UHFFFAOYSA-N 0 0 418.512 4.987 50 0 HJAARN O=C(NCCCc1nc2ccccc2n1Cc1ccccc1F)c1ccc(F)cc1 ZINC000002721533 557370329 /nfs/dbraw/zinc/37/03/29/557370329.db2.gz ATYJULDRRITQRG-UHFFFAOYSA-N 0 0 405.448 4.725 50 0 HJAARN COc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)c3ccccc3n2)cc1OC ZINC000002736767 557374486 /nfs/dbraw/zinc/37/44/86/557374486.db2.gz 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/nfs/dbraw/zinc/34/43/92/558344392.db2.gz UXMZSZNJONIMDZ-UHFFFAOYSA-N 0 0 400.522 4.633 50 0 HJAARN COC(=O)CCC(=O)Nc1cc(C(F)(F)F)cc2c1S[C@H]1Nc3ccccc3N21 ZINC000020220502 558349073 /nfs/dbraw/zinc/34/90/73/558349073.db2.gz URVROCRAPQWHNE-SFHVURJKSA-N 0 0 423.416 4.550 50 0 HJAARN COc1cccc(C(=O)N[C@H](c2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)c1 ZINC000020274087 558353126 /nfs/dbraw/zinc/35/31/26/558353126.db2.gz QQZYVNVTOZOVOF-FQEVSTJZSA-N 0 0 419.868 4.918 50 0 HJAARN CC(=O)c1ccc(NC(=S)N2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000020310905 558355094 /nfs/dbraw/zinc/35/50/94/558355094.db2.gz GQSAWFXXNGHBCH-UHFFFAOYSA-N 0 0 422.381 4.711 50 0 HJAARN CN1CCc2c(sc3nc(SCc4ccc(Cl)cc4Cl)nc(N)c23)C1 ZINC000020330263 558355894 /nfs/dbraw/zinc/35/58/94/558355894.db2.gz LYBGRBDONBQBFE-UHFFFAOYSA-N 0 0 411.383 4.861 50 0 HJAARN Cc1ccc(O)c([C@H](CC(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2)c1 ZINC000020418651 558361555 /nfs/dbraw/zinc/36/15/55/558361555.db2.gz FAJSMGMEFLGRSC-XMMPIXPASA-N 0 0 414.549 4.567 50 0 HJAARN CC(C)Cc1ccc(C(=O)[C@H](C)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000020421559 558361862 /nfs/dbraw/zinc/36/18/62/558361862.db2.gz LQLKKXZJZVVRIS-KRWDZBQOSA-N 0 0 419.491 4.692 50 0 HJAARN O=C(c1cc2c(s1)CCCCC2)N1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000012305292 558374489 /nfs/dbraw/zinc/37/44/89/558374489.db2.gz GVALRMXAJSPEEP-GOSISDBHSA-N 0 0 412.555 4.505 50 0 HJAARN O=C(Cc1c(F)cccc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020509518 558382088 /nfs/dbraw/zinc/38/20/88/558382088.db2.gz WLTSAVQFRRRQMG-UHFFFAOYSA-N 0 0 422.931 4.955 50 0 HJAARN CCc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(CCCOC)c3n2)cc1 ZINC000020605242 558387256 /nfs/dbraw/zinc/38/72/56/558387256.db2.gz QNYNRNOYYCLWBO-UHFFFAOYSA-N 0 0 405.470 4.658 50 0 HJAARN Cc1nn(Cc2ccc(Cl)cc2)c2nc(-c3cnn(C)c3)cc(C(F)(F)F)c12 ZINC000020605255 558387334 /nfs/dbraw/zinc/38/73/34/558387334.db2.gz WPAKDCNIHUBFFJ-UHFFFAOYSA-N 0 0 405.811 4.861 50 0 HJAARN Cc1ccc([C@@H]2SC[C@@H]3C(=O)N(c4cc(C)ccc4OC(F)F)C(=S)N32)cc1 ZINC000020606384 558387998 /nfs/dbraw/zinc/38/79/98/558387998.db2.gz CXJBLOKRKAHSDA-QAPCUYQASA-N 0 0 420.506 4.653 50 0 HJAARN COc1ccc(-n2nc3ccc(NC(=O)CSc4ccccc4)cc3n2)cc1Cl ZINC000020610809 558390989 /nfs/dbraw/zinc/39/09/89/558390989.db2.gz XJEPMOPKZGKJNA-UHFFFAOYSA-N 0 0 424.913 4.813 50 0 HJAARN O=C1N(C2CCCC2)C(c2ccccc2)=N[C@]1([N-]c1cc(Cl)cc[nH+]1)C(F)(F)F ZINC000012376082 558391921 /nfs/dbraw/zinc/39/19/21/558391921.db2.gz MZFVDSOMUMCGPO-IBGZPJMESA-N 0 0 422.838 4.637 50 0 HJAARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)N[C@H](C)c3cnn(C)c3C)cc12 ZINC000020615764 558392706 /nfs/dbraw/zinc/39/27/06/558392706.db2.gz HRAIZPUMOCPNSQ-QGZVFWFLSA-N 0 0 400.526 4.839 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)c1cnn(C)c1C(=O)Nc1cccc(Cl)c1C ZINC000020616344 558393075 /nfs/dbraw/zinc/39/30/75/558393075.db2.gz VRYZCWNUWPXUPE-UHFFFAOYSA-N 0 0 417.296 4.848 50 0 HJAARN Cc1ccc(NC(=O)c2cn(C)nc2C(=O)Nc2ccc(C)c(Cl)c2)cc1Cl ZINC000020617199 558393468 /nfs/dbraw/zinc/39/34/68/558393468.db2.gz HDSUFLTWFOHXCD-UHFFFAOYSA-N 0 0 417.296 4.848 50 0 HJAARN COC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C1CC1)nn2-c1ccc(F)cc1 ZINC000012396041 558397244 /nfs/dbraw/zinc/39/72/44/558397244.db2.gz GZWWUNGFGIDWQZ-UHFFFAOYSA-N 0 0 417.440 4.899 50 0 HJAARN COc1cccc(-n2ccc3c(cnc4c(-c5ccc(Cl)cc5)c(C)nn43)c2=O)c1 ZINC000012409928 558400298 /nfs/dbraw/zinc/40/02/98/558400298.db2.gz MFVLGQUFGVAFDC-UHFFFAOYSA-N 0 0 416.868 4.671 50 0 HJAARN O=C1Nc2ccccc2CC[C@@H]1Sc1nnc(-c2ccc(Br)cc2)o1 ZINC000020739698 558408764 /nfs/dbraw/zinc/40/87/64/558408764.db2.gz CFNXNQCVGNRUPP-HNNXBMFYSA-N 0 0 416.300 4.545 50 0 HJAARN Cc1c[nH]c(CN(C)Cc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)n1 ZINC000020782421 558413265 /nfs/dbraw/zinc/41/32/65/558413265.db2.gz BWQPYWLXPQXIJM-UHFFFAOYSA-N 0 0 407.468 4.789 50 0 HJAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccc(F)cc2)cc1OC ZINC000020787800 558413885 /nfs/dbraw/zinc/41/38/85/558413885.db2.gz XDYYVZYDUQTUKS-UHFFFAOYSA-N 0 0 422.481 4.834 50 0 HJAARN Cc1sc2nc(CN3CCOCC3)nc(Oc3ccc(F)cc3Cl)c2c1C ZINC000020815588 558416577 /nfs/dbraw/zinc/41/65/77/558416577.db2.gz WSUGJWIRMVGABS-UHFFFAOYSA-N 0 0 407.898 4.725 50 0 HJAARN COc1ccccc1OCC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000010692476 558418051 /nfs/dbraw/zinc/41/80/51/558418051.db2.gz PTTPJFGFKXIRTR-HXUWFJFHSA-N 0 0 400.478 4.504 50 0 HJAARN COc1ccccc1OCC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000010692471 558418090 /nfs/dbraw/zinc/41/80/90/558418090.db2.gz PTTPJFGFKXIRTR-FQEVSTJZSA-N 0 0 400.478 4.504 50 0 HJAARN O=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCCN(C(=O)c2cc3sccc3[nH]2)C1 ZINC000020908299 558421452 /nfs/dbraw/zinc/42/14/52/558421452.db2.gz MMODDQLSTZEMDI-MRXNPFEDSA-N 0 0 419.506 4.980 50 0 HJAARN Cc1ccc(NC(=O)CCC(=O)N2CCSc3nc(C)cc(C)c32)c(Cl)c1 ZINC000020939122 558424628 /nfs/dbraw/zinc/42/46/28/558424628.db2.gz JKPREOGLWYOYDN-UHFFFAOYSA-N 0 0 403.935 4.518 50 0 HJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccncc2)N1Cc1ccccc1 ZINC000012528162 558425697 /nfs/dbraw/zinc/42/56/97/558425697.db2.gz UPOXIPRMEBYGQD-FQEVSTJZSA-N 0 0 402.837 4.587 50 0 HJAARN CC(C)(C)C(=O)NCCc1nc2ccccc2n1CCOc1ccc2ccccc2c1 ZINC000012539541 558426800 /nfs/dbraw/zinc/42/68/00/558426800.db2.gz RDKATWFMDASPLQ-UHFFFAOYSA-N 0 0 415.537 4.973 50 0 HJAARN COc1ccc(C=CC(=O)C2=C(NCc3ccccc3)CC(C)(C)CC2=O)cc1OC ZINC000001440069 558430652 /nfs/dbraw/zinc/43/06/52/558430652.db2.gz MWAGYYKLSQGPMK-ZRDIBKRKSA-N 0 0 419.521 4.719 50 0 HJAARN COc1ccc(-c2noc(COC(=O)c3cc(Br)ccc3Cl)n2)cc1 ZINC000021168442 558432906 /nfs/dbraw/zinc/43/29/06/558432906.db2.gz ZOSDDSYNLOKAFM-UHFFFAOYSA-N 0 0 423.650 4.518 50 0 HJAARN Cc1ncsc1CCC(=O)N1CCC[C@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000012591493 558435909 /nfs/dbraw/zinc/43/59/09/558435909.db2.gz HAMQCRAWPZMTTB-HNNXBMFYSA-N 0 0 410.461 4.524 50 0 HJAARN COc1ccc([C@H](CC(=O)N(Cc2ccccc2)c2ccc(C)cc2)NC(C)=O)cc1 ZINC000021446573 558438650 /nfs/dbraw/zinc/43/86/50/558438650.db2.gz BRYKRPROGUHMRK-VWLOTQADSA-N 0 0 416.521 4.804 50 0 HJAARN COc1ccccc1N1C[C@H](c2nc3ccccc3n2CCc2ccccc2)CC1=O ZINC000012637152 558442942 /nfs/dbraw/zinc/44/29/42/558442942.db2.gz KWJBCDUPLBTVMR-HXUWFJFHSA-N 0 0 411.505 4.808 50 0 HJAARN Cc1ccc(Cl)cc1-n1c(SCC(=O)OC(C)(C)C)nnc1-c1cccnc1 ZINC000004357534 558446109 /nfs/dbraw/zinc/44/61/09/558446109.db2.gz QTVUQVBAGAITRN-UHFFFAOYSA-N 0 0 416.934 4.725 50 0 HJAARN CCC[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccccc1C)C(=O)OCC ZINC000004357943 558446383 /nfs/dbraw/zinc/44/63/83/558446383.db2.gz GCXIANDTCSQDOD-FQEVSTJZSA-N 0 0 409.555 4.990 50 0 HJAARN Cc1c(-c2ccccc2)sc(NC(=O)c2ccccc2F)c1C(=O)N1CCOCC1 ZINC000012688496 558446838 /nfs/dbraw/zinc/44/68/38/558446838.db2.gz KXWLCCCUUNRCQU-UHFFFAOYSA-N 0 0 424.497 4.587 50 0 HJAARN O=C(c1cccc(-c2cccc(F)c2)c1)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000012701380 558447707 /nfs/dbraw/zinc/44/77/07/558447707.db2.gz LPYPBOOHGZZFQU-UHFFFAOYSA-N 0 0 403.497 4.950 50 0 HJAARN O=C(c1cn(Cc2ccc(Cl)cc2)nn1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000012703141 558448532 /nfs/dbraw/zinc/44/85/32/558448532.db2.gz OZIVSAYIOXKBNW-OAQYLSRUSA-N 0 0 408.933 4.607 50 0 HJAARN COc1ccc(-c2nn(-c3ccccc3)cc2CN(C)[C@@H](C)c2ccon2)c(F)c1 ZINC000012704005 558448942 /nfs/dbraw/zinc/44/89/42/558448942.db2.gz WXTZBKXYMZULAJ-INIZCTEOSA-N 0 0 406.461 4.868 50 0 HJAARN Cc1cc(NC[C@@H]2CCCO2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 ZINC000021790473 558448939 /nfs/dbraw/zinc/44/89/39/558448939.db2.gz PZAAIIGBISJMNK-AWEZNQCLSA-N 0 0 410.827 4.968 50 0 HJAARN COc1ccc(-c2nc(CN3CCC[C@H](OCc4ccccc4)C3)c(C)o2)cc1OC ZINC000012704050 558448963 /nfs/dbraw/zinc/44/89/63/558448963.db2.gz PXVRGKHWKMKWIY-NRFANRHFSA-N 0 0 422.525 4.848 50 0 HJAARN CSc1ccc(Cl)c(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c1 ZINC000021834189 558451389 /nfs/dbraw/zinc/45/13/89/558451389.db2.gz HFWPLDYJSSWVIZ-UHFFFAOYSA-N 0 0 419.959 4.761 50 0 HJAARN Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCCN3CCCC(F)(F)F)cc2)n1 ZINC000012711300 558452388 /nfs/dbraw/zinc/45/23/88/558452388.db2.gz KHJLIHYNCHCDSY-IBGZPJMESA-N 0 0 408.468 4.625 50 0 HJAARN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)C1c2ccccc2Oc2ccccc21 ZINC000021964521 558456700 /nfs/dbraw/zinc/45/67/00/558456700.db2.gz LYFWNHAJTPFHAH-UHFFFAOYSA-N 0 0 409.489 4.828 50 0 HJAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(C)n(Cc3ccco3)c2C)c1 ZINC000022008387 558457488 /nfs/dbraw/zinc/45/74/88/558457488.db2.gz NVNQGALJPSNCMD-JOCHJYFZSA-N 0 0 408.498 4.741 50 0 HJAARN O=C(NC1CCCC1)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000022033870 558459366 /nfs/dbraw/zinc/45/93/66/558459366.db2.gz FXJGKVBIVVSETB-UHFFFAOYSA-N 0 0 414.840 4.802 50 0 HJAARN Cc1ncsc1CCC(=O)N1CCC[C@H](C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000012755219 558459864 /nfs/dbraw/zinc/45/98/64/558459864.db2.gz HVYDUMUHFOPYFT-IBGZPJMESA-N 0 0 418.562 4.757 50 0 HJAARN CC(=O)Nc1cccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)c1C ZINC000012792786 558466699 /nfs/dbraw/zinc/46/66/99/558466699.db2.gz ALAFDBIYIPEYRK-UHFFFAOYSA-N 0 0 420.366 4.549 50 0 HJAARN Cc1cccc(Oc2ccc(NC(=O)c3ccc(CN4CCOCC4)cc3)cc2)c1 ZINC000022225917 558467051 /nfs/dbraw/zinc/46/70/51/558467051.db2.gz FJVMRPHEBIXYST-UHFFFAOYSA-N 0 0 402.494 4.872 50 0 HJAARN Cc1cc(C)c(-c2csc(NC(=O)CCc3nc(-c4ccncc4)no3)n2)c(C)c1 ZINC000012793706 558467285 /nfs/dbraw/zinc/46/72/85/558467285.db2.gz OZSIEAPQRMCAAF-UHFFFAOYSA-N 0 0 419.510 4.752 50 0 HJAARN CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1OC ZINC000012795910 558468902 /nfs/dbraw/zinc/46/89/02/558468902.db2.gz CPSLFLJTMTYYJQ-UHFFFAOYSA-N 0 0 405.376 4.551 50 0 HJAARN COc1cccc(CNC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)c1 ZINC000012796035 558468913 /nfs/dbraw/zinc/46/89/13/558468913.db2.gz HZMVZNRMKZQXNA-UHFFFAOYSA-N 0 0 402.903 4.623 50 0 HJAARN CCOc1ccc2oc(C(=O)NC3CCN(C(=O)Nc4ccccc4)CC3)c(C)c2c1 ZINC000012798740 558470629 /nfs/dbraw/zinc/47/06/29/558470629.db2.gz BFLOBUYHNQDBGQ-UHFFFAOYSA-N 0 0 421.497 4.566 50 0 HJAARN COc1ccc(NC(=O)c2cc(-c3ccccc3F)nc3onc(C)c32)cc1OC ZINC000022239270 558471475 /nfs/dbraw/zinc/47/14/75/558471475.db2.gz WNIBCUUQWNDVTO-UHFFFAOYSA-N 0 0 407.401 4.607 50 0 HJAARN O=C(Nc1ccnn1Cc1ccccc1Cl)c1ccc(Br)cc1F ZINC000012800810 558471593 /nfs/dbraw/zinc/47/15/93/558471593.db2.gz ZWHSWXXOJNEVRC-UHFFFAOYSA-N 0 0 408.658 4.739 50 0 HJAARN CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N3c4ccccc4C[C@H]3C)o2)cc1 ZINC000012803544 558472754 /nfs/dbraw/zinc/47/27/54/558472754.db2.gz ALCDGDXKAIURJU-HUUCEWRRSA-N 0 0 409.511 4.594 50 0 HJAARN Cc1ccc(O)c(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2cccs2)N3)c1 ZINC000012847937 558478900 /nfs/dbraw/zinc/47/89/00/558478900.db2.gz MQWSNXOSTDMLEJ-MLGOLLRUSA-N 0 0 422.432 4.871 50 0 HJAARN Cc1ccc2c(C)c(CCC(=O)N[C@H]3CCSc4ccc(F)cc43)c(=O)oc2c1 ZINC000012857924 558480810 /nfs/dbraw/zinc/48/08/10/558480810.db2.gz TTXVCNKPULBJCM-IBGZPJMESA-N 0 0 411.498 4.835 50 0 HJAARN CC(C)(C)C(=O)NCCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1 ZINC000004385660 558483141 /nfs/dbraw/zinc/48/31/41/558483141.db2.gz PUVGHCFOESBZFT-UHFFFAOYSA-N 0 0 413.949 4.864 50 0 HJAARN CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccccc1I ZINC000012957436 558488441 /nfs/dbraw/zinc/48/84/41/558488441.db2.gz OLSDDNDJGXNWIZ-UHFFFAOYSA-N 0 0 419.259 4.968 50 0 HJAARN Cc1cccc(C)c1NC(=O)COC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000012970808 558488784 /nfs/dbraw/zinc/48/87/84/558488784.db2.gz NIJKQRZIJCWXRJ-UHFFFAOYSA-N 0 0 411.461 4.709 50 0 HJAARN Cc1ccc([C@@H](NC(=O)NCc2ccccc2Cn2cccn2)c2cccs2)cc1 ZINC000012971639 558488979 /nfs/dbraw/zinc/48/89/79/558488979.db2.gz NUWSBYOPWIQNSE-HSZRJFAPSA-N 0 0 416.550 4.890 50 0 HJAARN C[C@@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1ccc(F)cc1F ZINC000012971533 558489057 /nfs/dbraw/zinc/48/90/57/558489057.db2.gz GCWYIJKRUKILAZ-MRXNPFEDSA-N 0 0 422.475 4.848 50 0 HJAARN CC(C)[C@@H](NC(=O)Cn1nc(-c2cccs2)c2ccccc2c1=O)c1ccccc1 ZINC000012973046 558489818 /nfs/dbraw/zinc/48/98/18/558489818.db2.gz JFBQWGXTLSMDBD-JOCHJYFZSA-N 0 0 417.534 4.639 50 0 HJAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)COc1ccccc1C(F)(F)F ZINC000012978455 558492625 /nfs/dbraw/zinc/49/26/25/558492625.db2.gz BKDJJGMEBHSANE-UHFFFAOYSA-N 0 0 403.404 4.834 50 0 HJAARN O=C(CSc1nnc(SCc2cccs2)s1)NCCCc1ccccc1 ZINC000012986787 558495695 /nfs/dbraw/zinc/49/56/95/558495695.db2.gz ASBJOKKKVWUKCN-UHFFFAOYSA-N 0 0 421.638 4.733 50 0 HJAARN C[C@@H]1CCCN(Cc2csc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)n2)C1 ZINC000012993731 558497678 /nfs/dbraw/zinc/49/76/78/558497678.db2.gz WJGXDBIQFJJFOR-CQSZACIVSA-N 0 0 407.967 4.825 50 0 HJAARN Cc1ccc(-c2csc3ncn(CCC(=O)Nc4cccc(F)c4)c(=O)c23)cc1 ZINC000013000996 558500452 /nfs/dbraw/zinc/50/04/52/558500452.db2.gz ZIYZGTJZXFOMOI-UHFFFAOYSA-N 0 0 407.470 4.601 50 0 HJAARN Cc1ccc(Oc2ccccc2NC(=O)COc2ccc3c(c2)CCC(=O)N3)cc1 ZINC000013005452 558501823 /nfs/dbraw/zinc/50/18/23/558501823.db2.gz YOYAHNHCNWPJIH-UHFFFAOYSA-N 0 0 402.450 4.690 50 0 HJAARN Cc1cc(C)cc(NC(=O)Cn2c(C)nc3scc(-c4ccccc4)c3c2=O)c1 ZINC000013016593 558504035 /nfs/dbraw/zinc/50/40/35/558504035.db2.gz GMIOJEYQGUXXNO-UHFFFAOYSA-N 0 0 403.507 4.689 50 0 HJAARN CC(C)[C@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1 ZINC000013016194 558504066 /nfs/dbraw/zinc/50/40/66/558504066.db2.gz PMHRWGBDTTTZMZ-NRFANRHFSA-N 0 0 401.572 4.656 50 0 HJAARN Cc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)c1C ZINC000013039561 558506135 /nfs/dbraw/zinc/50/61/35/558506135.db2.gz CRWGVQSXZAGSFP-AWEZNQCLSA-N 0 0 408.329 4.508 50 0 HJAARN COc1ccc2cc(COC(=O)[C@H](C)Oc3ccc(C(C)=O)cc3)c(Cl)nc2c1 ZINC000013058954 558509476 /nfs/dbraw/zinc/50/94/76/558509476.db2.gz IVMRHCMLELKWDY-AWEZNQCLSA-N 0 0 413.857 4.610 50 0 HJAARN O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1cccc(Cl)c1Cl ZINC000013062017 558509946 /nfs/dbraw/zinc/50/99/46/558509946.db2.gz IEUVEOWSGZXWKG-MRXNPFEDSA-N 0 0 407.297 4.540 50 0 HJAARN Cc1cc(C2=NNC(=Nc3ccccc3Cl)SC2)c(C)n1C[C@@H]1CCCO1 ZINC000013063233 558510550 /nfs/dbraw/zinc/51/05/50/558510550.db2.gz DGEJZIADVYHFLB-HNNXBMFYSA-N 0 0 402.951 4.856 50 0 HJAARN Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCN(Cc3cccs3)CC2)c1 ZINC000022784169 558510588 /nfs/dbraw/zinc/51/05/88/558510588.db2.gz ZDBJYPONRHTSAD-XMMPIXPASA-N 0 0 419.594 4.863 50 0 HJAARN O=C(c1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CCC[C@@H]1c1cccs1 ZINC000013069025 558510984 /nfs/dbraw/zinc/51/09/84/558510984.db2.gz YIACVWGZYBMEPS-LJQANCHMSA-N 0 0 412.536 4.526 50 0 HJAARN C[C@H](c1nc2ccccc2n1C(F)F)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022792809 558512189 /nfs/dbraw/zinc/51/21/89/558512189.db2.gz JNHKUFUABZDVJS-OAHLLOKOSA-N 0 0 404.892 4.964 50 0 HJAARN C[C@@H](Oc1ccc2c(c1)oc(=O)cc2C(F)(F)F)C(=O)N1c2ccccc2C[C@H]1C ZINC000013075595 558512368 /nfs/dbraw/zinc/51/23/68/558512368.db2.gz BOLNYRBLGODDGK-CHWSQXEVSA-N 0 0 417.383 4.557 50 0 HJAARN C[C@@H](Oc1ccc2c(c1)oc(=O)cc2C(F)(F)F)C(=O)N1c2ccccc2C[C@@H]1C ZINC000013075597 558512379 /nfs/dbraw/zinc/51/23/79/558512379.db2.gz BOLNYRBLGODDGK-QWHCGFSZSA-N 0 0 417.383 4.557 50 0 HJAARN Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCN(Cc3ccsc3)CC2)c1 ZINC000022800038 558513003 /nfs/dbraw/zinc/51/30/03/558513003.db2.gz KBPFNQCELIMBOJ-DEOSSOPVSA-N 0 0 419.594 4.863 50 0 HJAARN CN1C(=O)CS[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000013115485 558515988 /nfs/dbraw/zinc/51/59/88/558515988.db2.gz NEJIOSMZHAIONS-IBGZPJMESA-N 0 0 414.328 4.506 50 0 HJAARN Cc1cc(C(=O)CSc2nc3ccccc3o2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000013129314 558519847 /nfs/dbraw/zinc/51/98/47/558519847.db2.gz LNWRZPHKKUWUID-UHFFFAOYSA-N 0 0 420.490 4.998 50 0 HJAARN CN1CCN(Cc2nc(C(c3ccccc3)c3ccccc3)no2)[C@@H](c2ccccc2)C1 ZINC000022913148 558520381 /nfs/dbraw/zinc/52/03/81/558520381.db2.gz SJRPTRKJRHVJEG-XMMPIXPASA-N 0 0 424.548 4.739 50 0 HJAARN O=C(Nc1ccc(F)c(Cl)c1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000013148624 558523295 /nfs/dbraw/zinc/52/32/95/558523295.db2.gz ALUOOOJAMFMUJV-UHFFFAOYSA-N 0 0 422.840 4.671 50 0 HJAARN C[C@@H](NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000013148955 558523610 /nfs/dbraw/zinc/52/36/10/558523610.db2.gz SYZIJBJRJSLCMR-MRXNPFEDSA-N 0 0 421.880 4.605 50 0 HJAARN COc1cccc(NC(=O)[C@H](Sc2nnc(-c3ccco3)n2C)c2ccccc2)c1 ZINC000013165377 558525251 /nfs/dbraw/zinc/52/52/51/558525251.db2.gz PTZHNCBZBJLKBG-LJQANCHMSA-N 0 0 420.494 4.556 50 0 HJAARN Cc1nc(NC(=O)c2cccc(Cl)c2Cl)ccc1I ZINC000013281427 558528683 /nfs/dbraw/zinc/52/86/83/558528683.db2.gz DBMPLVITUAMPHT-UHFFFAOYSA-N 0 0 407.038 4.554 50 0 HJAARN C[C@@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000023030144 558530975 /nfs/dbraw/zinc/53/09/75/558530975.db2.gz RXXCNHGNPLFONF-QVRRQISLSA-N 0 0 409.574 4.652 50 0 HJAARN O=c1[nH]c2ccccc2cc1CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000013554577 558539841 /nfs/dbraw/zinc/53/98/41/558539841.db2.gz ADLYMXJHKQCRJS-UHFFFAOYSA-N 0 0 424.909 4.577 50 0 HJAARN COc1ccc2c(C)c(CC(=O)Nc3cccc(Cl)c3Cl)c(=O)oc2c1OC ZINC000013575736 558543401 /nfs/dbraw/zinc/54/34/01/558543401.db2.gz CEYVBSXAOCKPQG-UHFFFAOYSA-N 0 0 422.264 4.607 50 0 HJAARN O=C(NCc1nnc2c(C(F)(F)F)cc(Cl)cn12)c1cc(Cl)ccc1Cl ZINC000013591707 558546083 /nfs/dbraw/zinc/54/60/83/558546083.db2.gz ZJNWQSZGZJOCLK-UHFFFAOYSA-N 0 0 423.609 4.638 50 0 HJAARN O=C(CCn1c(=O)oc2ccccc21)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000023299737 558548382 /nfs/dbraw/zinc/54/83/82/558548382.db2.gz GLVSGVXIWKMHTH-UHFFFAOYSA-N 0 0 423.538 4.548 50 0 HJAARN Cc1nc(-c2ccsc2)sc1C(=O)NCc1c(C)nn(Cc2ccccc2)c1C ZINC000010905164 558552660 /nfs/dbraw/zinc/55/26/60/558552660.db2.gz ZCDZWOIHHJMIJR-UHFFFAOYSA-N 0 0 422.579 4.972 50 0 HJAARN COc1cccc(NC(=O)[C@H](OC(=O)[C@H]2Cc3ccccc3S2)c2ccccc2)c1 ZINC000010905135 558552666 /nfs/dbraw/zinc/55/26/66/558552666.db2.gz ZDPUXFWVWUIISC-FGZHOGPDSA-N 0 0 419.502 4.635 50 0 HJAARN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000023387885 558556212 /nfs/dbraw/zinc/55/62/12/558556212.db2.gz UPUCPYPCUGMNMY-IAGOWNOFSA-N 0 0 417.431 4.764 50 0 HJAARN C[C@H](c1ccccc1)N1CCn2c(nc3cc(C(=O)NC4CCCCC4)ccc32)C1 ZINC000023411557 558557710 /nfs/dbraw/zinc/55/77/10/558557710.db2.gz DUJFDWIASAFYOB-GOSISDBHSA-N 0 0 402.542 4.676 50 0 HJAARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)c2ccco2)s1 ZINC000023576309 558562885 /nfs/dbraw/zinc/56/28/85/558562885.db2.gz XTJROVODKPYLHH-CYBMUJFWSA-N 0 0 422.462 4.811 50 0 HJAARN CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccccc1 ZINC000013718784 558580552 /nfs/dbraw/zinc/58/05/52/558580552.db2.gz JGIAAZIWCMDWSH-UHFFFAOYSA-N 0 0 410.539 4.908 50 0 HJAARN O=C(Nc1nc([C@@H]2COc3ccccc3O2)cs1)c1ccc(Br)cc1 ZINC000013721487 558582320 /nfs/dbraw/zinc/58/23/20/558582320.db2.gz YTJWTIIMUNOQFL-INIZCTEOSA-N 0 0 417.284 4.670 50 0 HJAARN O=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000004452322 558588336 /nfs/dbraw/zinc/58/83/36/558588336.db2.gz QMRVIWUEJVDVBL-UHFFFAOYSA-N 0 0 423.578 4.856 50 0 HJAARN COc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2cccc(C)c2)CC1=O ZINC000013750560 558589576 /nfs/dbraw/zinc/58/95/76/558589576.db2.gz LUCFPIPCOQPUBK-FQEVSTJZSA-N 0 0 411.505 4.922 50 0 HJAARN O=C(Nc1nc2c(s1)CCCC2)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000004454815 558589882 /nfs/dbraw/zinc/58/98/82/558589882.db2.gz PKKJUUUBNDOBPN-UHFFFAOYSA-N 0 0 401.491 4.763 50 0 HJAARN CCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccco2)cc1 ZINC000013751486 558589941 /nfs/dbraw/zinc/58/99/41/558589941.db2.gz XSRCJPVRYKZHNK-UHFFFAOYSA-N 0 0 402.450 4.675 50 0 HJAARN O=C(c1ccccc1Oc1ccccc1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000024141968 558590303 /nfs/dbraw/zinc/59/03/03/558590303.db2.gz BKSAANSPHBGTPY-UHFFFAOYSA-N 0 0 406.526 4.734 50 0 HJAARN CSc1nc2c(sc3nc(-c4ccccc4)c4c(c32)CCC4)c(NC[C@H](C)O)n1 ZINC000013759199 558590984 /nfs/dbraw/zinc/59/09/84/558590984.db2.gz IRHYIIODXLYOJB-LBPRGKRZSA-N 0 0 422.579 4.910 50 0 HJAARN COc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc4c(c3)OCO4)=NN21 ZINC000013786213 558593340 /nfs/dbraw/zinc/59/33/40/558593340.db2.gz IBFDPFBFOLMWIH-NTKDMRAZSA-N 0 0 400.434 4.666 50 0 HJAARN CC(C)Cn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1ccccc1F ZINC000004469194 558594139 /nfs/dbraw/zinc/59/41/39/558594139.db2.gz DPAFCYHTVDQVNV-QAPCUYQASA-N 0 0 404.555 4.527 50 0 HJAARN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cc2ccccc2c(=O)[nH]1 ZINC000024283542 558594225 /nfs/dbraw/zinc/59/42/25/558594225.db2.gz MDOPPWUXZDIDRR-UHFFFAOYSA-N 0 0 411.177 4.562 50 0 HJAARN CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)[C@@H](C)C2)c(F)c1 ZINC000006369810 558594789 /nfs/dbraw/zinc/59/47/89/558594789.db2.gz PHGRROBIMUBXNG-LBPRGKRZSA-N 0 0 409.288 4.686 50 0 HJAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@]32c3cc(C)ccc3N(C)C2=O)cc1 ZINC000013810387 558595397 /nfs/dbraw/zinc/59/53/97/558595397.db2.gz AOULRMHNQOUIKM-BVAGGSTKSA-N 0 0 409.489 4.676 50 0 HJAARN COc1ccc([C@H]2C[C@H](c3ccccc3)N(C(=O)c3cccc(C)c3)c3ncnn32)cc1 ZINC000013838997 558596944 /nfs/dbraw/zinc/59/69/44/558596944.db2.gz JAOXREPSAXXEDK-DNQXCXABSA-N 0 0 424.504 4.976 50 0 HJAARN COc1ccccc1C(=O)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1 ZINC000013856273 558598166 /nfs/dbraw/zinc/59/81/66/558598166.db2.gz XQDIQQVWGSUJHK-UHFFFAOYSA-N 0 0 424.254 4.913 50 0 HJAARN COc1ccc(-c2nnc(SCC(=O)O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)o2)cc1 ZINC000004475399 558599918 /nfs/dbraw/zinc/59/99/18/558599918.db2.gz RKIUBYAZWFCVKE-ZTFGCOKTSA-N 0 0 404.532 4.841 50 0 HJAARN Cc1ccc(Oc2nc(CN3CCOCC3)nc3sc4c(c32)CC[C@@H](C)C4)cc1 ZINC000024574213 558601462 /nfs/dbraw/zinc/60/14/62/558601462.db2.gz CGUDYQJMNCBUFA-MRXNPFEDSA-N 0 0 409.555 4.749 50 0 HJAARN CC(C)=C[C@H]1[C@H](C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1(C)C ZINC000024602163 558602357 /nfs/dbraw/zinc/60/23/57/558602357.db2.gz VFPGQEPIQSGMFQ-GOEBONIOSA-N 0 0 415.887 4.641 50 0 HJAARN CCOC(=O)c1cnn(-c2ccc(NC(=O)c3cc(C)oc3C)cc2)c1C(F)(F)F ZINC000024646399 558605928 /nfs/dbraw/zinc/60/59/28/558605928.db2.gz VTBCBAKJJJWBCE-UHFFFAOYSA-N 0 0 421.375 4.530 50 0 HJAARN O=C(Cc1ccccc1)Nc1cc2c(cc1C(=O)c1ccc(Cl)cc1)OCCO2 ZINC000013945510 558606954 /nfs/dbraw/zinc/60/69/54/558606954.db2.gz DHAHGLBGAIJOCO-UHFFFAOYSA-N 0 0 407.853 4.523 50 0 HJAARN C[C@@H](c1nnc(SCCCOc2ccc(F)cc2)n1-c1ccc(F)cc1)N(C)C ZINC000004490700 558609265 /nfs/dbraw/zinc/60/92/65/558609265.db2.gz MNSZKDSRAXEVQQ-HNNXBMFYSA-N 0 0 418.513 4.729 50 0 HJAARN O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000024756926 558610670 /nfs/dbraw/zinc/61/06/70/558610670.db2.gz VKHWKTJINVQDSV-CZUORRHYSA-N 0 0 422.934 4.635 50 0 HJAARN Cc1csc(CCNC(=O)[C@@H](Nc2ccc(C(F)(F)F)cc2Cl)C(C)C)n1 ZINC000024763379 558611251 /nfs/dbraw/zinc/61/12/51/558611251.db2.gz POMUVSXHUJOWAO-INIZCTEOSA-N 0 0 419.900 4.919 50 0 HJAARN COc1ccc([C@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1OC ZINC000024764601 558611276 /nfs/dbraw/zinc/61/12/76/558611276.db2.gz HZFVKJITNWIPIM-MRXNPFEDSA-N 0 0 416.326 4.536 50 0 HJAARN CC(=O)c1ccccc1OCC[S@@](=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000024830328 558614788 /nfs/dbraw/zinc/61/47/88/558614788.db2.gz PXFPUYGNTFSKAR-MHZLTWQESA-N 0 0 403.887 4.525 50 0 HJAARN CN(CC(=O)Nc1cccc2ccccc21)C(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000024855133 558617654 /nfs/dbraw/zinc/61/76/54/558617654.db2.gz PAROPQQOPOYKQS-UHFFFAOYSA-N 0 0 408.885 4.553 50 0 HJAARN O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1cc(C2CC2)nc2ccccc21 ZINC000014093326 558619295 /nfs/dbraw/zinc/61/92/95/558619295.db2.gz KKVZDMVTCIKVJR-UHFFFAOYSA-N 0 0 413.521 4.668 50 0 HJAARN Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000024983844 558624628 /nfs/dbraw/zinc/62/46/28/558624628.db2.gz JOQSAIMNBXJDNO-CQSZACIVSA-N 0 0 424.451 4.857 50 0 HJAARN CCOc1ccc([C@@H]2CCCN2Cn2nc(Cc3cccs3)n(C)c2=S)cc1 ZINC000014185911 558631040 /nfs/dbraw/zinc/63/10/40/558631040.db2.gz VVAWVNGQZMYMQY-IBGZPJMESA-N 0 0 414.600 4.797 50 0 HJAARN CCOc1ccc(CN(C)C(=O)c2oc3ccccc3c2CSc2nc[nH]n2)cc1 ZINC000014188592 558632018 /nfs/dbraw/zinc/63/20/18/558632018.db2.gz NCDUQJRJQIJBHE-UHFFFAOYSA-N 0 0 422.510 4.514 50 0 HJAARN Cc1cc(CN(C)C(=O)[C@@H](Nc2ccc(C(F)(F)F)cc2Cl)C(C)C)no1 ZINC000025135299 558632528 /nfs/dbraw/zinc/63/25/28/558632528.db2.gz IXBPEPSFSCHHJA-INIZCTEOSA-N 0 0 403.832 4.750 50 0 HJAARN CN(C(=O)c1nn(-c2ccccn2)c2nccc(-c3cccs3)c12)C1CCCCC1 ZINC000025147523 558632693 /nfs/dbraw/zinc/63/26/93/558632693.db2.gz QHVFGKMQPITJKL-UHFFFAOYSA-N 0 0 417.538 4.949 50 0 HJAARN COc1ccc(OCCCC(=O)NCCc2ccc(-c3csc(C)n3)cc2)cc1 ZINC000014197314 558634018 /nfs/dbraw/zinc/63/40/18/558634018.db2.gz PYNAIJOTPIGKGJ-UHFFFAOYSA-N 0 0 410.539 4.645 50 0 HJAARN CCSc1nnc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)s1 ZINC000025245380 558635809 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CC(C)n1ncc2cc(NC(=O)c3ccccc3NC(=O)c3cccs3)cnc21 ZINC000025608999 558645758 /nfs/dbraw/zinc/64/57/58/558645758.db2.gz WVOWKHLGOLVGJH-UHFFFAOYSA-N 0 0 405.483 4.578 50 0 HJAARN CC(C)(C)OC(=O)Nc1cccc(C(=O)NCCOc2ccc3ccccc3c2)c1 ZINC000010996746 558647213 /nfs/dbraw/zinc/64/72/13/558647213.db2.gz QTMFOETWFUWUQG-UHFFFAOYSA-N 0 0 406.482 4.996 50 0 HJAARN CN(C(=O)c1cccs1)c1ccccc1C(=O)NCC1(c2ccccc2)CCC1 ZINC000025710706 558648397 /nfs/dbraw/zinc/64/83/97/558648397.db2.gz FSMUYWRRMPZNIN-UHFFFAOYSA-N 0 0 404.535 4.876 50 0 HJAARN COc1cccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)c1 ZINC000025783711 558650147 /nfs/dbraw/zinc/65/01/47/558650147.db2.gz RWQOEKGAOSICQI-DQEYMECFSA-N 0 0 422.488 4.808 50 0 HJAARN CC(=O)N[C@H](C)c1ccc(C(=O)CSc2nccn2-c2ccc(C)cc2C)cc1 ZINC000026035510 558653998 /nfs/dbraw/zinc/65/39/98/558653998.db2.gz GSWYQHJFXOGEQK-QGZVFWFLSA-N 0 0 407.539 4.661 50 0 HJAARN CC(=O)N[C@@H](C)c1ccc(C(=O)CSc2nccn2-c2cccc(C)c2C)cc1 ZINC000026047407 558654229 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CCOc1ccc(CN(C)Cc2cc3ccc(OC)cc3nc2Cl)cc1OC ZINC000014672825 558663084 /nfs/dbraw/zinc/66/30/84/558663084.db2.gz NXBCRCIPEOUADW-UHFFFAOYSA-N 0 0 400.906 4.936 50 0 HJAARN COc1cc(OC)c(NC(=O)c2sc(NC(=O)c3ccco3)cc2C)cc1Cl ZINC000026562110 558663110 /nfs/dbraw/zinc/66/31/10/558663110.db2.gz YSDLPWLQUCTAMH-UHFFFAOYSA-N 0 0 420.874 4.825 50 0 HJAARN O=C(COc1ccccc1[C@@H]1Nc2ccccc2-c2nc3ccccc3n21)N1CCCC1 ZINC000026720841 558664689 /nfs/dbraw/zinc/66/46/89/558664689.db2.gz NAPOFSSGNYMAHN-AREMUKBSSA-N 0 0 424.504 4.677 50 0 HJAARN CCOP(=O)(OCC)[C@H](NC(=O)c1ccccc1F)C(Cl)(Cl)Cl ZINC000026962849 558667711 /nfs/dbraw/zinc/66/77/11/558667711.db2.gz ZKGDNYIQJSGONS-LBPRGKRZSA-N 0 0 406.605 4.518 50 0 HJAARN COc1ccc(Cc2nc(-c3ccc4c(c3)C[C@@H](C)N4C(C)=O)cs2)cc1OC ZINC000026981408 558667944 /nfs/dbraw/zinc/66/79/44/558667944.db2.gz XAZSVBQYOXDKFC-CQSZACIVSA-N 0 0 408.523 4.716 50 0 HJAARN CCCNC(=O)c1c(NC(=O)c2ccccc2Br)sc2c1CCCC2 ZINC000027021216 558668656 /nfs/dbraw/zinc/66/86/56/558668656.db2.gz 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COc1ccc([C@@H](C)NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cc1F ZINC000014778115 558672640 /nfs/dbraw/zinc/67/26/40/558672640.db2.gz AUHBTZYDEKVTQR-CQSZACIVSA-N 0 0 411.452 4.529 50 0 HJAARN CC(C)[C@@H](C)NC(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 ZINC000004549015 558672770 /nfs/dbraw/zinc/67/27/70/558672770.db2.gz VBXUANHQGDGFQV-CQSZACIVSA-N 0 0 406.983 4.966 50 0 HJAARN COc1ccc(NC(C)=O)cc1NC(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000014793492 558673171 /nfs/dbraw/zinc/67/31/71/558673171.db2.gz ZAXOJVYPCFPFKI-UHFFFAOYSA-N 0 0 417.824 4.662 50 0 HJAARN CC(C)CCN(CCC(C)C)C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000072271147 558673721 /nfs/dbraw/zinc/67/37/21/558673721.db2.gz UAQATXKOGHAZBW-UHFFFAOYSA-N 0 0 408.533 4.738 50 0 HJAARN Cc1c2cc(F)ccc2oc1C(=O)Nc1nonc1-c1ccc(Br)cc1 ZINC000027582936 558675915 /nfs/dbraw/zinc/67/59/15/558675915.db2.gz ZNBNPAVPYIPNHS-UHFFFAOYSA-N 0 0 416.206 4.945 50 0 HJAARN COCc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c1 ZINC000014940118 558679758 /nfs/dbraw/zinc/67/97/58/558679758.db2.gz GDTJBHKGRZBJEA-UHFFFAOYSA-N 0 0 424.522 4.503 50 0 HJAARN CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)c1 ZINC000004550562 558680064 /nfs/dbraw/zinc/68/00/64/558680064.db2.gz NEZDOFLKMAYDJQ-UHFFFAOYSA-N 0 0 413.543 4.587 50 0 HJAARN COc1ccc(Cc2nnc(S[C@H](C)c3nnc(-c4ccc(OC)cc4)o3)o2)cc1 ZINC000027717214 558680490 /nfs/dbraw/zinc/68/04/90/558680490.db2.gz BDILAQAEHOGJLS-CYBMUJFWSA-N 0 0 424.482 4.581 50 0 HJAARN COc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1C ZINC000027740833 558680664 /nfs/dbraw/zinc/68/06/64/558680664.db2.gz DUSGFXAIFCFGGB-CQSZACIVSA-N 0 0 415.877 4.730 50 0 HJAARN CCCc1noc([C@H](C)Sc2nnc(-c3cccnc3)n2-c2ccccc2C)n1 ZINC000027775461 558682333 /nfs/dbraw/zinc/68/23/33/558682333.db2.gz NHHVDVDTWYZONI-HNNXBMFYSA-N 0 0 406.515 4.827 50 0 HJAARN Cn1c(Cl)cnc1CN1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000027903905 558684315 /nfs/dbraw/zinc/68/43/15/558684315.db2.gz WNNZRLCXCZZDNS-UHFFFAOYSA-N 0 0 421.397 4.773 50 0 HJAARN Cc1nc(C)c(C(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)s1 ZINC000027916593 558684710 /nfs/dbraw/zinc/68/47/10/558684710.db2.gz LZWKEOBVKOTIAS-UHFFFAOYSA-N 0 0 411.552 4.581 50 0 HJAARN Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1 ZINC000027991873 558688555 /nfs/dbraw/zinc/68/85/55/558688555.db2.gz IUPQAJTVKHHQBP-FQEVSTJZSA-N 0 0 412.917 4.506 50 0 HJAARN Cc1nc2cc(OCc3cc(C(=O)N4CCC[C@@H]4c4ccccn4)no3)ccc2s1 ZINC000014979720 558690879 /nfs/dbraw/zinc/69/08/79/558690879.db2.gz QOKCBCSCDAGMPA-HXUWFJFHSA-N 0 0 420.494 4.544 50 0 HJAARN CCCOc1cc(Nc2ccc(NC(=O)Cc3ccc(OC)cc3)cc2)nc(C)n1 ZINC000011027696 558692215 /nfs/dbraw/zinc/69/22/15/558692215.db2.gz XZKRQNMWGMGVPI-UHFFFAOYSA-N 0 0 406.486 4.507 50 0 HJAARN COc1ccc(NC(=O)c2ccccc2SCc2cn3ccccc3n2)cc1OC ZINC000028273162 558694014 /nfs/dbraw/zinc/69/40/14/558694014.db2.gz JNJMDVHULXDAGR-UHFFFAOYSA-N 0 0 419.506 4.896 50 0 HJAARN CCCOc1ccc(-c2nsc(NC(=O)c3ccc(OCC)cc3)n2)cc1OC ZINC000028287263 558694777 /nfs/dbraw/zinc/69/47/77/558694777.db2.gz 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Cc1cc(Br)ccc1NC(=O)CCCc1nc(-c2ccccc2)no1 ZINC000016204699 558778313 /nfs/dbraw/zinc/77/83/13/558778313.db2.gz UTLCGYGWFNEDPW-UHFFFAOYSA-N 0 0 400.276 4.769 50 0 HJAARN COc1cc(NC(=O)c2cccc(OCc3cscn3)c2)c(OC)cc1Cl ZINC000016201350 558778372 /nfs/dbraw/zinc/77/83/72/558778372.db2.gz QYJQXLHJXZXSFV-UHFFFAOYSA-N 0 0 404.875 4.645 50 0 HJAARN O=C(OCc1nc2ccccc2c(=O)[nH]1)c1ccccc1-c1nc2ccccc2s1 ZINC000016207286 558778605 /nfs/dbraw/zinc/77/86/05/558778605.db2.gz QPGJHBVQFLADHV-UHFFFAOYSA-N 0 0 413.458 4.557 50 0 HJAARN CCN1CCN(C(=O)c2ccc(-c3nc4ccccc4nc3-c3ccccc3)cc2)CC1 ZINC000005050111 558781269 /nfs/dbraw/zinc/78/12/69/558781269.db2.gz CQVKSBFSZWVBNP-UHFFFAOYSA-N 0 0 422.532 4.742 50 0 HJAARN Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(C)c3C)n2-n2cccc2)c1 ZINC000004586088 558781834 /nfs/dbraw/zinc/78/18/34/558781834.db2.gz SVAXHKWDZQWKAD-UHFFFAOYSA-N 0 0 417.538 4.714 50 0 HJAARN CCc1[nH]nc(-c2ccc(N3CCCCC3)cc2)c1NC(=O)Cc1ccc(OC)cc1 ZINC000034795421 558783863 /nfs/dbraw/zinc/78/38/63/558783863.db2.gz SYMWEHHNRXRNBI-UHFFFAOYSA-N 0 0 418.541 4.819 50 0 HJAARN O=C(NCCOc1ccccc1)c1cn2cc(-c3ccc(F)c(Cl)c3)ccc2n1 ZINC000034831093 558784479 /nfs/dbraw/zinc/78/44/79/558784479.db2.gz RVRDCWWPMJYCKB-UHFFFAOYSA-N 0 0 409.848 4.603 50 0 HJAARN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)cc1 ZINC000016310527 558785275 /nfs/dbraw/zinc/78/52/75/558785275.db2.gz KWIIYYSIUVYVRQ-UHFFFAOYSA-N 0 0 418.877 4.841 50 0 HJAARN Cc1cc(C(=O)COC(=O)c2c(C)cc(=O)oc2C)c(C)n1CCC1=CCCCC1 ZINC000016313944 558785975 /nfs/dbraw/zinc/78/59/75/558785975.db2.gz JCTVFHFOQAWZTE-UHFFFAOYSA-N 0 0 411.498 4.605 50 0 HJAARN Cc1ccccc1CSCC(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000016362806 558788172 /nfs/dbraw/zinc/78/81/72/558788172.db2.gz ZAXFIPQTVXZVNL-UHFFFAOYSA-N 0 0 404.535 4.797 50 0 HJAARN CCCCOc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000035318915 558790052 /nfs/dbraw/zinc/79/00/52/558790052.db2.gz SEVMONDQWSURJP-OAQYLSRUSA-N 0 0 421.497 4.901 50 0 HJAARN CCCCOc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000035318916 558790121 /nfs/dbraw/zinc/79/01/21/558790121.db2.gz SEVMONDQWSURJP-NRFANRHFSA-N 0 0 421.497 4.901 50 0 HJAARN Cc1cc(C)cc(N2C(=O)c3cc4ccsc4n3C[C@@]2(C)C(=O)NC2CCCC2)c1 ZINC000035482093 558792718 /nfs/dbraw/zinc/79/27/18/558792718.db2.gz BZENUTGDLTUAML-DEOSSOPVSA-N 0 0 421.566 4.798 50 0 HJAARN COc1cc(-c2nc3ncccn3c2Nc2ccc(C(C)C)cc2)cc(OC)c1O ZINC000035606472 558794123 /nfs/dbraw/zinc/79/41/23/558794123.db2.gz FAOGIOXLHZRZNQ-UHFFFAOYSA-N 0 0 404.470 4.986 50 0 HJAARN COC(=O)c1ccccc1Nc1c(-c2ccc(Br)cc2)nc2cnccn21 ZINC000035616435 558794610 /nfs/dbraw/zinc/79/46/10/558794610.db2.gz OMBCSXAGJTZRLX-UHFFFAOYSA-N 0 0 423.270 4.689 50 0 HJAARN CC(C)CN(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)C(=O)c1ccccc1 ZINC000035767667 558795151 /nfs/dbraw/zinc/79/51/51/558795151.db2.gz QZSSXWHKQRITCO-UHFFFAOYSA-N 0 0 422.500 4.746 50 0 HJAARN CC[C@@H](C)N(Cc1cc(Cl)ccc1OCc1nc(CO)cs1)C(=O)C(C)C ZINC000036094456 558797620 /nfs/dbraw/zinc/79/76/20/558797620.db2.gz YPHRQKPIWNPEAT-CQSZACIVSA-N 0 0 410.967 4.651 50 0 HJAARN COCc1nn2c(ncc(C(=O)Nc3ccccc3Cl)c2C)c1-c1ccc(F)cc1 ZINC000036125609 558797954 /nfs/dbraw/zinc/79/79/54/558797954.db2.gz CVHFLKHRZQMKFD-UHFFFAOYSA-N 0 0 424.863 4.896 50 0 HJAARN Cc1ccc(CCN2C(=O)c3ccccc3CC[C@@]2(C)C(=O)NCCC(C)C)cc1 ZINC000032977843 558803480 /nfs/dbraw/zinc/80/34/80/558803480.db2.gz UZMQKDUSYPTFDR-SANMLTNESA-N 0 0 406.570 4.547 50 0 HJAARN COc1ccc(Nc2ccccc2NC(=O)[C@H](C)NC(=O)c2cccc(C)c2)cc1 ZINC000032981899 558804013 /nfs/dbraw/zinc/80/40/13/558804013.db2.gz WIARCDLLNVCJDJ-KRWDZBQOSA-N 0 0 403.482 4.504 50 0 HJAARN CCOc1ccc2[nH]c(S[C@H](C(=O)Nc3cc(C)on3)c3ccccc3)nc2c1 ZINC000016744705 558804285 /nfs/dbraw/zinc/80/42/85/558804285.db2.gz JWAXJFQGYLNFAV-IBGZPJMESA-N 0 0 408.483 4.730 50 0 HJAARN CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OCC)c(OC)c1 ZINC000016751704 558804919 /nfs/dbraw/zinc/80/49/19/558804919.db2.gz SUHGXWDGLUSJLR-OAQYLSRUSA-N 0 0 407.466 4.546 50 0 HJAARN O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1)O2 ZINC000032984036 558805058 /nfs/dbraw/zinc/80/50/58/558805058.db2.gz LADTYLLYWISQJG-CIAFOILYSA-N 0 0 404.853 4.642 50 0 HJAARN Cc1cc(C)cc(NC(=O)C2CCN(c3ncnc4c5cccnc5sc43)CC2)c1 ZINC000032985966 558806267 /nfs/dbraw/zinc/80/62/67/558806267.db2.gz HYGPNAVVOQNQMZ-UHFFFAOYSA-N 0 0 417.538 4.711 50 0 HJAARN COc1cccc(CN2[C@H](c3ccccc3Cl)Nc3ccccc3S2(=O)=O)c1 ZINC000032986836 558806976 /nfs/dbraw/zinc/80/69/76/558806976.db2.gz UEJCBECEBXNMTJ-OAQYLSRUSA-N 0 0 414.914 4.664 50 0 HJAARN CCc1cccc(NC(=O)CSc2nccn3nc(-c4ccc(F)cc4)cc23)c1 ZINC000016841480 558808229 /nfs/dbraw/zinc/80/82/29/558808229.db2.gz HBQKXYFFIXAHHX-UHFFFAOYSA-N 0 0 406.486 4.829 50 0 HJAARN O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc(F)c(Cl)c1 ZINC000016899420 558808954 /nfs/dbraw/zinc/80/89/54/558808954.db2.gz KTFKNYDHZABQRL-AWEZNQCLSA-N 0 0 418.799 4.940 50 0 HJAARN COc1ccc(N2CCn3c(SCc4ccc(C(F)(F)F)cc4)nnc32)cc1 ZINC000016954011 558809792 /nfs/dbraw/zinc/80/97/92/558809792.db2.gz IIUWKMVDJJFAKD-UHFFFAOYSA-N 0 0 406.433 4.750 50 0 HJAARN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)c1 ZINC000022972750 558809979 /nfs/dbraw/zinc/80/99/79/558809979.db2.gz JXZASGDWMYNUDK-UHFFFAOYSA-N 0 0 420.534 4.539 50 0 HJAARN COc1ccccc1NC(=O)CSc1nccn2nc(-c3ccc(Cl)cc3)cc12 ZINC000016973591 558811007 /nfs/dbraw/zinc/81/10/07/558811007.db2.gz MGGPZYZLMOPVMF-UHFFFAOYSA-N 0 0 424.913 4.789 50 0 HJAARN Cc1ccc(-c2csc3c2ncn(CC(=O)Nc2ccc(C)c(C)c2)c3=O)cc1 ZINC000038651716 558813337 /nfs/dbraw/zinc/81/33/37/558813337.db2.gz CPUIPKNYSOQLED-UHFFFAOYSA-N 0 0 403.507 4.689 50 0 HJAARN O=C(Nc1ccccc1Oc1ccccc1)c1cnc2sc3c(n2c1=O)CCCC3 ZINC000017070363 558813698 /nfs/dbraw/zinc/81/36/98/558813698.db2.gz PQIQIIHVLJYYJK-UHFFFAOYSA-N 0 0 417.490 4.679 50 0 HJAARN Cc1c(-c2cc(-c3cnn(C)c3C)n(-c3cc(Cl)cc(Cl)c3)n2)cnn1C ZINC000017082140 558814223 /nfs/dbraw/zinc/81/42/23/558814223.db2.gz NGAFGZNFIIPUSJ-UHFFFAOYSA-N 0 0 401.301 4.597 50 0 HJAARN CCc1c(C)sc2[nH]c(=S)n(-c3ccc(OC(F)F)c(Cl)c3)c(=O)c12 ZINC000017082565 558814690 /nfs/dbraw/zinc/81/46/90/558814690.db2.gz HYBNWTFSZYVCSW-UHFFFAOYSA-N 0 0 402.875 4.862 50 0 HJAARN Cc1cc(C(=O)Nn2c(=O)c3c([nH]c2=S)sc(C)c3-c2ccccc2)cs1 ZINC000017089655 558818266 /nfs/dbraw/zinc/81/82/66/558818266.db2.gz JNZBQEJVFZOHDO-UHFFFAOYSA-N 0 0 413.549 4.850 50 0 HJAARN O=C(c1cccc(OCc2cccnc2)c1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000071803486 558819727 /nfs/dbraw/zinc/81/97/27/558819727.db2.gz UVOVARBBCHHULQ-FQEVSTJZSA-N 0 0 412.493 4.557 50 0 HJAARN O=C(NCc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000017094052 558822503 /nfs/dbraw/zinc/82/25/03/558822503.db2.gz GURVXEIOYUGWNL-VEYUFSJPSA-N 0 0 424.544 4.526 50 0 HJAARN O=C(CSc1nccn2nc(-c3ccc(Cl)cc3)cc12)NCCc1ccccc1 ZINC000017178909 558824988 /nfs/dbraw/zinc/82/49/88/558824988.db2.gz NXAFZPCRFMOOOC-UHFFFAOYSA-N 0 0 422.941 4.501 50 0 HJAARN O=C(NCc1ccco1)Nc1cc(NC(=O)c2ccc(F)cc2)ccc1N1CCCC1 ZINC000033009849 558829372 /nfs/dbraw/zinc/82/93/72/558829372.db2.gz NRULMPKJTLTDRF-UHFFFAOYSA-N 0 0 422.460 4.593 50 0 HJAARN COc1ccc(-c2noc(-c3cccc(OCC(=O)Nc4cccc(C)c4)c3)n2)cc1 ZINC000033012387 558832119 /nfs/dbraw/zinc/83/21/19/558832119.db2.gz OYCNSUVJYSECMO-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN COc1ccc(-c2noc(-c3cccc(OCC(=O)Nc4ccccc4F)c3)n2)cc1 ZINC000033012378 558832175 /nfs/dbraw/zinc/83/21/75/558832175.db2.gz MCIRRVGYLHFJEO-UHFFFAOYSA-N 0 0 419.412 4.569 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)[C@H]3CC=C(C)C[C@@H]3C2=O)c1 ZINC000018155475 558832274 /nfs/dbraw/zinc/83/22/74/558832274.db2.gz YEANPJRPCLWJOU-OALUTQOASA-N 0 0 408.885 4.746 50 0 HJAARN COc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000033013047 558832719 /nfs/dbraw/zinc/83/27/19/558832719.db2.gz KWLMEHZKGJFERV-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN O=C(Nc1nnc(COc2ccccc2)s1)C1c2ccccc2Oc2ccccc21 ZINC000001053986 558835959 /nfs/dbraw/zinc/83/59/59/558835959.db2.gz AODDQSPZIYCPMH-UHFFFAOYSA-N 0 0 415.474 4.993 50 0 HJAARN CC(C)C(=O)Nc1nc2cc(NC(=O)c3cc(-c4cccs4)[nH]n3)ccc2s1 ZINC000033020380 558836624 /nfs/dbraw/zinc/83/66/24/558836624.db2.gz VHYLWGFNVJRXTP-UHFFFAOYSA-N 0 0 411.512 4.595 50 0 HJAARN COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)N1CCC(C)CC1 ZINC000046006408 558838759 /nfs/dbraw/zinc/83/87/59/558838759.db2.gz PSPFXZXHUWUJFE-UHFFFAOYSA-N 0 0 420.557 4.545 50 0 HJAARN CCOc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)NC1CCCC1 ZINC000046005835 558838785 /nfs/dbraw/zinc/83/87/85/558838785.db2.gz RWLOIFLUFMJWNT-UHFFFAOYSA-N 0 0 420.557 4.736 50 0 HJAARN CC[C@@H](C)NS(=O)(=O)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)sc1C ZINC000046141309 558839863 /nfs/dbraw/zinc/83/98/63/558839863.db2.gz SSEQOSINYOMWKN-SNVBAGLBSA-N 0 0 411.936 4.504 50 0 HJAARN Cc1ccc2nc(CSc3ccccc3NC(=O)c3ccccc3F)cc(=O)n2c1 ZINC000033025911 558846945 /nfs/dbraw/zinc/84/69/45/558846945.db2.gz LDJQZIMXUPIOOG-UHFFFAOYSA-N 0 0 419.481 4.687 50 0 HJAARN Cc1nc(-c2ccc(C)cc2C)sc1C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000060335105 558850721 /nfs/dbraw/zinc/85/07/21/558850721.db2.gz PRFGADKDMKNLTN-UHFFFAOYSA-N 0 0 417.538 4.822 50 0 HJAARN COc1ccc(-c2coc3c(ccc4c3CN(C3CCCCC3)CO4)c2=O)cc1OC ZINC000013690407 558855534 /nfs/dbraw/zinc/85/55/34/558855534.db2.gz BXYHMTMCBNORSJ-UHFFFAOYSA-N 0 0 421.493 4.962 50 0 biogenic HJAARN O=C(CCCn1nc(-c2cccs2)ccc1=O)Nc1cc(Cl)ccc1Cl ZINC000013698629 558857026 /nfs/dbraw/zinc/85/70/26/558857026.db2.gz LXHMPXLCYVUXRU-UHFFFAOYSA-N 0 0 408.310 4.698 50 0 HJAARN CCOc1cccc2sc(N(Cc3ccccc3)C(=O)c3ccn(CC)n3)nc21 ZINC000013702586 558857214 /nfs/dbraw/zinc/85/72/14/558857214.db2.gz BPWCNDMXYFVXAW-UHFFFAOYSA-N 0 0 406.511 4.758 50 0 HJAARN Cc1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)NCc4ccco4)c3)C2)cc1 ZINC000033034914 558858805 /nfs/dbraw/zinc/85/88/05/558858805.db2.gz VRPZHKUYTAJMIJ-JOCHJYFZSA-N 0 0 402.494 4.538 50 0 HJAARN O=C(NCc1ccco1)c1cccc([C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000033035688 558859673 /nfs/dbraw/zinc/85/96/73/558859673.db2.gz DPPCZCXANWWQHJ-FQEVSTJZSA-N 0 0 403.482 4.621 50 0 HJAARN O=C(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)NC1CCCCC1 ZINC000053512718 558864403 /nfs/dbraw/zinc/86/44/03/558864403.db2.gz KBDOKTJKCAHONB-UHFFFAOYSA-N 0 0 403.530 4.506 50 0 aggregator HJAARN Cc1ccc(Cn2c(CCCC(=O)Nc3cccc(F)c3)nc3cccnc32)cc1 ZINC000033072644 558867002 /nfs/dbraw/zinc/86/70/02/558867002.db2.gz NLFIQEPQKGQNIP-UHFFFAOYSA-N 0 0 402.473 4.889 50 0 HJAARN COc1ccc(NC(=O)CCCc2nc3cccnc3n2Cc2ccc(C)cc2)cc1 ZINC000033072605 558867063 /nfs/dbraw/zinc/86/70/63/558867063.db2.gz KIBVTASBWOCGKY-UHFFFAOYSA-N 0 0 414.509 4.758 50 0 HJAARN COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2cccc(C)n2)cc1 ZINC000019324521 558867771 /nfs/dbraw/zinc/86/77/71/558867771.db2.gz CCDJHGPIVFNKLT-UHFFFAOYSA-N 0 0 417.553 4.814 50 0 HJAARN CCCCOc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(OC)c(OC)c3)[nH]n2)cc1 ZINC000072331576 558868187 /nfs/dbraw/zinc/86/81/87/558868187.db2.gz YUUCJCYBBMJCAV-MRXNPFEDSA-N 0 0 423.513 4.764 50 0 HJAARN Cc1c(C(=O)NCCc2ccccc2)sc2ncnc(N(C)C3CCCCC3)c12 ZINC000033078871 558868308 /nfs/dbraw/zinc/86/83/08/558868308.db2.gz LITWRPBIPXOKMA-UHFFFAOYSA-N 0 0 408.571 4.741 50 0 HJAARN Cc1oc(-c2ccc(C)cc2)nc1CN1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000033085141 558869027 /nfs/dbraw/zinc/86/90/27/558869027.db2.gz BBWOYHTZODGJJE-UHFFFAOYSA-N 0 0 424.932 4.962 50 0 HJAARN CCOc1ccc(C(=O)CSc2nccn(-c3ccc(C(C)C)cc3)c2=O)cc1 ZINC000033039891 558869093 /nfs/dbraw/zinc/86/90/93/558869093.db2.gz JGZOZPNYJKUQIL-UHFFFAOYSA-N 0 0 408.523 4.730 50 0 HJAARN O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(Cc2ccc3nsnc3c2)C1 ZINC000055074221 558871464 /nfs/dbraw/zinc/87/14/64/558871464.db2.gz KSRVQCQIJAWSBE-OAHLLOKOSA-N 0 0 405.445 4.805 50 0 HJAARN Cc1sc(NC(=O)c2n[nH]c3ccccc32)nc1-c1ccc(OC(F)F)cc1 ZINC000010652602 558872035 /nfs/dbraw/zinc/87/20/35/558872035.db2.gz YEEWWFQTMYKZRZ-UHFFFAOYSA-N 0 0 400.410 4.849 50 0 HJAARN O=C(Nc1cccc(CNC(=O)c2ccc(SC(F)F)cc2)c1)c1ccco1 ZINC000033102858 558872415 /nfs/dbraw/zinc/87/24/15/558872415.db2.gz JTUUTRVVEYPPSQ-UHFFFAOYSA-N 0 0 402.422 4.777 50 0 HJAARN COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(OC)c(OC)c2)cc1 ZINC000004659550 558873154 /nfs/dbraw/zinc/87/31/54/558873154.db2.gz OPQQIAZXWDZFQB-XNTDXEJSSA-N 0 0 414.461 4.582 50 0 HJAARN O=C(CC1CCCCC1)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000033106717 558874468 /nfs/dbraw/zinc/87/44/68/558874468.db2.gz ACLFABCGQVDAEZ-UHFFFAOYSA-N 0 0 416.569 4.704 50 0 HJAARN CCCCN1C(=O)/C(=C\c2ccc(N3CCOCC3)o2)SC1=Nc1ccccc1 ZINC000004664232 558876058 /nfs/dbraw/zinc/87/60/58/558876058.db2.gz GMPFTFRWUHRMSO-MYZFFRRASA-N 0 0 411.527 4.520 50 0 HJAARN COc1cccc(CN2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)c1OC ZINC000019361673 558876378 /nfs/dbraw/zinc/87/63/78/558876378.db2.gz GRCKJLQFHWBPRN-UHFFFAOYSA-N 0 0 418.537 4.814 50 0 HJAARN Cc1ccc(C(=O)Nc2nc3cc(NS(=O)(=O)c4ccccc4)ccc3s2)cc1 ZINC000033116479 558877649 /nfs/dbraw/zinc/87/76/49/558877649.db2.gz CKAIVBMCHADRSE-UHFFFAOYSA-N 0 0 423.519 4.658 50 0 HJAARN CCOC(=O)C1CCN(C(=O)Cc2c3ccccc3[nH]c2Sc2ccccc2)CC1 ZINC000033116280 558877700 /nfs/dbraw/zinc/87/77/00/558877700.db2.gz YWHVVKWZAUIBBU-UHFFFAOYSA-N 0 0 422.550 4.663 50 0 HJAARN Cc1cccn2c(CN[C@H](C)c3ccccc3Cl)c(C(=O)N3CCCCC3)nc12 ZINC000055358363 558879991 /nfs/dbraw/zinc/87/99/91/558879991.db2.gz QGSJCZRIJRKWSA-QGZVFWFLSA-N 0 0 410.949 4.773 50 0 HJAARN O=C(Nc1cccc(Cl)c1)N[C@@H](Cc1ccccc1)C(=O)N1CCc2ccccc21 ZINC000033127931 558881181 /nfs/dbraw/zinc/88/11/81/558881181.db2.gz CVHGJOJCBSKDAH-NRFANRHFSA-N 0 0 419.912 4.662 50 0 HJAARN CCOc1ccccc1NC(=O)N[C@@H](C(=O)N1CCc2ccccc21)c1ccccc1 ZINC000033127849 558881233 /nfs/dbraw/zinc/88/12/33/558881233.db2.gz HKKLGOZLPIKDNV-HSZRJFAPSA-N 0 0 415.493 4.537 50 0 HJAARN O=C(Nc1ccc(Cl)cc1)N[C@@H](Cc1ccccc1)C(=O)N1CCc2ccccc21 ZINC000033127939 558881396 /nfs/dbraw/zinc/88/13/96/558881396.db2.gz HXRBZTGZDMGADL-NRFANRHFSA-N 0 0 419.912 4.662 50 0 HJAARN CCc1ccccc1NC(=O)[C@@H](C)Sc1ccc(=O)n(-c2ccc(C)c(C)c2)n1 ZINC000033128076 558881601 /nfs/dbraw/zinc/88/16/01/558881601.db2.gz UXLPBKHBMVKLPC-QGZVFWFLSA-N 0 0 407.539 4.531 50 0 HJAARN Cc1ccc(C(=O)N2CCc3ccc(NC(=O)Nc4ccc5c(c4)OCO5)cc32)cc1 ZINC000033128694 558882631 /nfs/dbraw/zinc/88/26/31/558882631.db2.gz CEBFZOCBWNMXND-UHFFFAOYSA-N 0 0 415.449 4.571 50 0 HJAARN CCOc1ccc2oc(C(=O)N[C@@H](c3nccn3C)c3ccc(F)cc3)c(C)c2c1 ZINC000010656336 558882952 /nfs/dbraw/zinc/88/29/52/558882952.db2.gz XXASONHZUDFTGU-HXUWFJFHSA-N 0 0 407.445 4.532 50 0 HJAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000033045158 558883284 /nfs/dbraw/zinc/88/32/84/558883284.db2.gz FFNIHVHKWKNPMJ-ZDUSSCGKSA-N 0 0 416.934 4.517 50 0 HJAARN COc1ccc(Nc2nc(C(=O)OCC(=O)c3cccc(Cl)c3)cs2)cc1 ZINC000004676125 558888530 /nfs/dbraw/zinc/88/85/30/558888530.db2.gz YGKKJFQMFDKWFZ-UHFFFAOYSA-N 0 0 402.859 4.588 50 0 HJAARN Cc1nc2ccccc2n1C[C@H](O)COc1ccc2cc(Br)ccc2c1 ZINC000004677971 558889614 /nfs/dbraw/zinc/88/96/14/558889614.db2.gz KNSZPLMQVDISBW-SFHVURJKSA-N 0 0 411.299 4.700 50 0 HJAARN Cc1nc2ccccc2n1C[C@@H](O)COc1ccc2cc(Br)ccc2c1 ZINC000004677973 558889689 /nfs/dbraw/zinc/88/96/89/558889689.db2.gz KNSZPLMQVDISBW-GOSISDBHSA-N 0 0 411.299 4.700 50 0 HJAARN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OC ZINC000004680072 558891152 /nfs/dbraw/zinc/89/11/52/558891152.db2.gz SKYQQFQATRCHQR-WOJGMQOQSA-N 0 0 403.887 4.984 50 0 HJAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000011225569 558891851 /nfs/dbraw/zinc/89/18/51/558891851.db2.gz FPUYJFBREVWGGP-CYBMUJFWSA-N 0 0 408.452 4.588 50 0 HJAARN COC(=O)c1cccc(NC(=O)Nc2ccc3c(c2)CN(Cc2ccccc2)C3)c1 ZINC000033140110 558892194 /nfs/dbraw/zinc/89/21/94/558892194.db2.gz OPQNIYYAOWMITF-UHFFFAOYSA-N 0 0 401.466 4.633 50 0 HJAARN COc1cc(OC)c(C2=CCN([C@H](C)C(=O)c3c[nH]c4ccccc43)CC2)c(OC)c1 ZINC000057970464 558892232 /nfs/dbraw/zinc/89/22/32/558892232.db2.gz ZISDJACZCDFFGD-MRXNPFEDSA-N 0 0 420.509 4.554 50 0 HJAARN CCCCOCCCNC(=O)C1CCN(Cc2cccc(Cl)c2Cl)CC1 ZINC000004682113 558894942 /nfs/dbraw/zinc/89/49/42/558894942.db2.gz JGKWPOGCHWONFR-UHFFFAOYSA-N 0 0 401.378 4.528 50 0 HJAARN C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000058019937 558895854 /nfs/dbraw/zinc/89/58/54/558895854.db2.gz DLKSBLKRMAGDKX-CQSZACIVSA-N 0 0 403.313 4.927 50 0 HJAARN CC(C)NC(=O)Nc1cccc(C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)c1 ZINC000058022983 558895940 /nfs/dbraw/zinc/89/59/40/558895940.db2.gz ATPHMHJZNUCHTF-UHFFFAOYSA-N 0 0 406.364 4.629 50 0 HJAARN O=C(CSc1nccnc1Sc1ccccc1)NCc1ccccc1Cl ZINC000033168910 558898624 /nfs/dbraw/zinc/89/86/24/558898624.db2.gz HYQOBGUYQOMFGN-UHFFFAOYSA-N 0 0 401.944 4.690 50 0 HJAARN CCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N1CCCC[C@@H]1CC ZINC000033173570 558901627 /nfs/dbraw/zinc/90/16/27/558901627.db2.gz PTGHJYTYEPVMSG-HNNXBMFYSA-N 0 0 416.465 4.876 50 0 HJAARN C[C@H](CNS(=O)(=O)c1cc(-c2cc(C(F)(F)F)on2)cs1)c1ccccc1 ZINC000033173712 558901859 /nfs/dbraw/zinc/90/18/59/558901859.db2.gz VDFHWSULKGQFHS-LLVKDONJSA-N 0 0 416.446 4.504 50 0 HJAARN COc1ccc([C@@H](NCC(=O)N[C@H](C)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000058158046 558903601 /nfs/dbraw/zinc/90/36/01/558903601.db2.gz DYZQQHXIDHBYBB-OSPHWJPCSA-N 0 0 408.929 4.905 50 0 HJAARN CCOC(=O)c1cnn(-c2cccc(NC(=O)N3CCC[C@H]3c3ccsc3)c2)c1C ZINC000058157980 558903625 /nfs/dbraw/zinc/90/36/25/558903625.db2.gz ODDXXXLBXFFZHP-FQEVSTJZSA-N 0 0 424.526 4.788 50 0 HJAARN COc1ccc([C@H](NCC(=O)N[C@@H](C)c2ccc(Cl)cc2)c2ccccc2)cc1 ZINC000058158047 558903661 /nfs/dbraw/zinc/90/36/61/558903661.db2.gz DYZQQHXIDHBYBB-BXKMTCNYSA-N 0 0 408.929 4.905 50 0 HJAARN O=C(Nc1ccccc1)c1ccc(Cl)c(NC(=O)N2CCO[C@H]3CCCC[C@H]32)c1 ZINC000058158827 558904161 /nfs/dbraw/zinc/90/41/61/558904161.db2.gz NQPNKHGFUUHTJA-UXHICEINSA-N 0 0 413.905 4.768 50 0 HJAARN O=C(Nc1ccc([C@@H]2CC2(Br)Br)cc1)c1cccs1 ZINC000004699539 558907418 /nfs/dbraw/zinc/90/74/18/558907418.db2.gz BZJVIHOKXDAHDR-NSHDSACASA-N 0 0 401.123 4.974 50 0 HJAARN Cc1ccc(Cl)cc1N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000058172498 558908550 /nfs/dbraw/zinc/90/85/50/558908550.db2.gz MURPONYPFWOCBP-UHFFFAOYSA-N 0 0 403.313 4.674 50 0 HJAARN CC(C)CC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3cccc4cnccc43)nc2)C1 ZINC000071762989 558910280 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CC(C)(C)c1ccc(C(=O)N[C@@H](NCc2ccco2)C(Cl)(Cl)Cl)cc1 ZINC000019535186 558913436 /nfs/dbraw/zinc/91/34/36/558913436.db2.gz XVRVKWGIJKLMMH-MRXNPFEDSA-N 0 0 403.737 4.793 50 0 HJAARN O=C(Nc1ccc(C(=O)NCCCc2nc3ccccc3s2)cc1)c1cccs1 ZINC000011177493 558916660 /nfs/dbraw/zinc/91/66/60/558916660.db2.gz VAHDJVAEQHCNTB-UHFFFAOYSA-N 0 0 421.547 4.973 50 0 HJAARN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)Nc1ccnn1C1CCCC1 ZINC000058296905 558917151 /nfs/dbraw/zinc/91/71/51/558917151.db2.gz KPPFXWXWEARCHM-UHFFFAOYSA-N 0 0 404.474 4.836 50 0 HJAARN Cc1cc(NC(=O)c2cc(C)nc3onc(C)c32)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000058310475 558918838 /nfs/dbraw/zinc/91/88/38/558918838.db2.gz ZNBBIRCXUZFCTE-UHFFFAOYSA-N 0 0 415.375 4.605 50 0 HJAARN O=C(CSCc1nc(-c2cccc(F)c2)no1)Nc1ccc(Br)cc1 ZINC000033250426 558919128 /nfs/dbraw/zinc/91/91/28/558919128.db2.gz AHNMINGQBYQHHW-UHFFFAOYSA-N 0 0 422.279 4.510 50 0 HJAARN O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1ccccc1COc1ccccc1 ZINC000058314990 558919150 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CCCNC(=O)Nc1ccc(-c2noc(-c3ccccc3Br)n2)cc1 ZINC000033257148 558924074 /nfs/dbraw/zinc/92/40/74/558924074.db2.gz HRAIRBFMZILBKD-UHFFFAOYSA-N 0 0 401.264 4.698 50 0 HJAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCC[C@H]2c2ccccc2C)cc1 ZINC000058413102 558925024 /nfs/dbraw/zinc/92/50/24/558925024.db2.gz PACGISHDDYBCTL-FQEVSTJZSA-N 0 0 406.555 4.978 50 0 HJAARN Cc1ccc(NC(=O)N2CCN(c3ccc(-c4noc(C(C)C)n4)cc3)CC2)cc1C ZINC000033258319 558925054 /nfs/dbraw/zinc/92/50/54/558925054.db2.gz WQZZHFKFZWXFDC-UHFFFAOYSA-N 0 0 419.529 4.831 50 0 HJAARN Cc1nc(-c2ccc(-n3cc(C(=O)Nc4ccc(C)c(Cl)c4)c(C)n3)cc2)no1 ZINC000033258477 558925186 /nfs/dbraw/zinc/92/51/86/558925186.db2.gz DRCDEJFNMZFYHL-UHFFFAOYSA-N 0 0 407.861 4.753 50 0 HJAARN COc1cc(OC)cc(-c2noc(CSc3ccc(-c4ccc(C)cc4)nn3)n2)c1 ZINC000033262445 558931280 /nfs/dbraw/zinc/93/12/80/558931280.db2.gz HCROVKJMJVYPMJ-UHFFFAOYSA-N 0 0 420.494 4.812 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)NCCc1nc2cccnc2n1Cc1ccccc1 ZINC000033263677 558933005 /nfs/dbraw/zinc/93/30/05/558933005.db2.gz SJHHPLYIJOCEFI-UHFFFAOYSA-N 0 0 419.916 4.806 50 0 HJAARN COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(C)cc2C)C12CCCCC2 ZINC000072401143 558935724 /nfs/dbraw/zinc/93/57/24/558935724.db2.gz ZCMLLAFESKXSDN-QHCPKHFHSA-N 0 0 420.553 4.831 50 0 HJAARN Cc1ccccc1CSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(F)cc1F)CC(=O)N2 ZINC000021784918 558949872 /nfs/dbraw/zinc/94/98/72/558949872.db2.gz NBZSNLIFRZNZRK-HNNXBMFYSA-N 0 0 413.449 4.535 50 0 HJAARN Cc1ccccc1CSc1nc2c(c(=O)[nH]1)[C@@H](c1cc(F)ccc1F)CC(=O)N2 ZINC000021784992 558950190 /nfs/dbraw/zinc/95/01/90/558950190.db2.gz WQDNPGKFLOPLMI-OAHLLOKOSA-N 0 0 413.449 4.535 50 0 HJAARN CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCCOc1ccc(OC)cc1 ZINC000021787032 558950382 /nfs/dbraw/zinc/95/03/82/558950382.db2.gz VBZWWAUQGSKGBJ-QHCPKHFHSA-N 0 0 421.541 4.978 50 0 HJAARN Cc1cc(C)c2c(=O)cc(CSCC(=O)Nc3ccc(C)c(Cl)c3)[nH]c2c1 ZINC000033064104 558956932 /nfs/dbraw/zinc/95/69/32/558956932.db2.gz WNGOKRVCIPAWKD-UHFFFAOYSA-N 0 0 400.931 4.979 50 0 HJAARN Cc1cccc(NC(=O)Nc2ccc(OCc3cc(=O)n4ccccc4n3)cc2)c1C ZINC000033067772 558957722 /nfs/dbraw/zinc/95/77/22/558957722.db2.gz CGWVSBPCJDVZGS-UHFFFAOYSA-N 0 0 414.465 4.534 50 0 HJAARN Cc1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4ccc(C)cc4n3)cc2)cc1 ZINC000033068018 558957951 /nfs/dbraw/zinc/95/79/51/558957951.db2.gz IWKXBMQFYYAZGK-UHFFFAOYSA-N 0 0 414.465 4.534 50 0 HJAARN CCc1ccccc1N1C(=O)c2cc3ccsc3n2C[C@]1(C)C(=O)NC1CCCC1 ZINC000064662049 558964908 /nfs/dbraw/zinc/96/49/08/558964908.db2.gz VPOVPEFDOLKNMY-XMMPIXPASA-N 0 0 421.566 4.743 50 0 HJAARN COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000064983839 558968246 /nfs/dbraw/zinc/96/82/46/558968246.db2.gz IDHHANTXGOWCHC-LJQANCHMSA-N 0 0 424.360 4.764 50 0 HJAARN COc1ccc(OC)c(S(=O)(=O)N2CCCCC[C@@H]2c2ccccc2Cl)c1 ZINC000064984081 558968419 /nfs/dbraw/zinc/96/84/19/558968419.db2.gz ZTWAQSGNDDQKDX-GOSISDBHSA-N 0 0 409.935 4.663 50 0 HJAARN COc1ccc(CNS(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)cc1 ZINC000065004668 558969428 /nfs/dbraw/zinc/96/94/28/558969428.db2.gz AGERPYWWIIOYDW-UHFFFAOYSA-N 0 0 418.540 4.548 50 0 HJAARN CC(C)N1CCc2c(sc3nc(SCc4ccc(Cl)cc4)nc(N)c23)C1 ZINC000019708097 558970190 /nfs/dbraw/zinc/97/01/90/558970190.db2.gz COQMIXLGACTVSD-UHFFFAOYSA-N 0 0 404.992 4.986 50 0 HJAARN Fc1ccc(-n2cc(CN3CCc4n[nH]cc4C3)c(-c3ccccc3Cl)n2)cc1 ZINC000072480925 558984104 /nfs/dbraw/zinc/98/41/04/558984104.db2.gz LZZJFHWISHPJBE-UHFFFAOYSA-N 0 0 407.880 4.613 50 0 HJAARN CCNC(=O)N1CCC[C@H](c2cccc(C(=O)N[C@H](C)c3ccc(CC)cc3)c2)C1 ZINC000033264202 558984664 /nfs/dbraw/zinc/98/46/64/558984664.db2.gz MJLOCAFZXRQUHE-JPYJTQIMSA-N 0 0 407.558 4.649 50 0 HJAARN CCOc1ccc(NC(=O)c2cccc([C@@H]3CCCN(C(=O)NC(C)C)C3)c2)cc1 ZINC000033264271 558984806 /nfs/dbraw/zinc/98/48/06/558984806.db2.gz NLRBCJUYXKIBPH-HXUWFJFHSA-N 0 0 409.530 4.635 50 0 HJAARN CCOc1ccc(NC(=O)NC[C@H](c2c[nH]c3ccccc32)c2cccnc2)cc1 ZINC000033267709 558990151 /nfs/dbraw/zinc/99/01/51/558990151.db2.gz UDOIRTGRZJFPCK-NRFANRHFSA-N 0 0 400.482 4.915 50 0 HJAARN CCc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-c4ccccc4C)nn3)C2)cc1 ZINC000022485805 558996185 /nfs/dbraw/zinc/99/61/85/558996185.db2.gz RHMMHFKMAFCGHM-HXUWFJFHSA-N 0 0 400.526 4.870 50 0 HJAARN CCOc1ccc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccccc4C)nn3)C2)cc1 ZINC000022485744 558996196 /nfs/dbraw/zinc/99/61/96/558996196.db2.gz WKVQCUMZBVKUKS-IBGZPJMESA-N 0 0 416.525 4.706 50 0 HJAARN O=C(Nc1nc2ccccc2s1)C1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000022490721 558997147 /nfs/dbraw/zinc/99/71/47/558997147.db2.gz PHVGFPZKHVOMNZ-UHFFFAOYSA-N 0 0 415.522 4.608 50 0 HJAARN O=C(CC[C@H]1Cc2ccccc2NC1=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000011257835 559015100 /nfs/dbraw/zinc/01/51/00/559015100.db2.gz YTMYFLHUKQTEGM-SFHVURJKSA-N 0 0 419.550 4.594 50 0 HJAARN CC(=O)c1cccc(NC(=O)c2csc(Nc3ccc(OC(F)F)cc3)n2)c1 ZINC000023136896 559018913 /nfs/dbraw/zinc/01/89/13/559018913.db2.gz LKKXPNDAQOKZPC-UHFFFAOYSA-N 0 0 403.410 4.943 50 0 HJAARN COc1ccc(NC(=O)c2csc(Nc3ccc(OC(F)F)cc3)n2)cc1OC ZINC000023136860 559018918 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CCOc1ccc([C@@H](C)NC(=O)c2ccc(-c3nccnc3N3CCCC3)cc2)cc1 ZINC000033313083 559055079 /nfs/dbraw/zinc/05/50/79/559055079.db2.gz QFPQMKAIEHFFFY-GOSISDBHSA-N 0 0 416.525 4.634 50 0 HJAARN Cc1nc(Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)cc(N2CCCC2)n1 ZINC000033318553 559055852 /nfs/dbraw/zinc/05/58/52/559055852.db2.gz AQSVYJNZFUIXLF-UHFFFAOYSA-N 0 0 406.465 4.912 50 0 HJAARN Cc1nc(Nc2ccc(NC(=O)CCC3CCCCC3)cc2)cc(N2CCOCC2)n1 ZINC000033318347 559055889 /nfs/dbraw/zinc/05/58/89/559055889.db2.gz LZNGUZROQDRZFD-UHFFFAOYSA-N 0 0 423.561 4.664 50 0 HJAARN O=C(c1ccccc1CN1CCC2(CC1)OCCO2)c1cc(Cl)ccc1Cl ZINC000085651607 559057213 /nfs/dbraw/zinc/05/72/13/559057213.db2.gz QZCGEANXFUKISD-UHFFFAOYSA-N 0 0 406.309 4.563 50 0 HJAARN CCOc1ccc(NC(=O)COc2ccccc2-c2noc(-c3cccs3)n2)cc1 ZINC000033325209 559058723 /nfs/dbraw/zinc/05/87/23/559058723.db2.gz FWYGDMNTHSPTPH-UHFFFAOYSA-N 0 0 421.478 4.881 50 0 HJAARN C[C@H]1CCCN(C(=O)COc2ccccc2-c2noc(-c3ccccc3Cl)n2)C1 ZINC000033325244 559058725 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COc1ccc(-c2noc([C@@H]3CCCN(C(=O)Nc4cccc(C)c4C)C3)n2)cc1 ZINC000004780584 559061757 /nfs/dbraw/zinc/06/17/57/559061757.db2.gz CKOHZRWTPXZSRN-GOSISDBHSA-N 0 0 406.486 4.774 50 0 HJAARN O=C(Nc1ccc2c(c1)OCO2)c1ccc(O[C@@H](F)C(F)(F)C(F)(F)F)cc1 ZINC000004783977 559062963 /nfs/dbraw/zinc/06/29/63/559062963.db2.gz KQTFBFXOTWQVAN-OAHLLOKOSA-N 0 0 407.266 4.540 50 0 HJAARN Cc1ccc(-c2nc(NCc3ccc(F)cc3)n(C(=O)COc3ccccc3)n2)cc1 ZINC000004783726 559063049 /nfs/dbraw/zinc/06/30/49/559063049.db2.gz YHMAQAWJYVITEW-UHFFFAOYSA-N 0 0 416.456 4.724 50 0 HJAARN COc1ccc(-c2cn3c(CCC(=O)N4CCc5ccccc5C4)csc3n2)cc1 ZINC000023234480 559064064 /nfs/dbraw/zinc/06/40/64/559064064.db2.gz RWPLWCCUXULNBH-UHFFFAOYSA-N 0 0 417.534 4.589 50 0 HJAARN CCCCSc1nnc2n1c1sc3c(c1c(=O)n2C)CC[C@@H](C(C)(C)C)C3 ZINC000004812535 559069514 /nfs/dbraw/zinc/06/95/14/559069514.db2.gz OEIPROWUIQMSEM-GFCCVEGCSA-N 0 0 404.605 4.686 50 0 HJAARN O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000092038548 559075272 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CCCC(=O)N1c2ncnn2[C@H](c2ccccc2OC)C[C@@H]1c1ccc(Cl)cc1 ZINC000004816965 559115014 /nfs/dbraw/zinc/11/50/14/559115014.db2.gz NEWUKJLXTOWTEJ-MOPGFXCFSA-N 0 0 410.905 4.808 50 0 HJAARN COc1cc(NC(=O)CNc2cc(Cl)ccc2N2CCCC2)c(OC)cc1Cl ZINC000011621070 559115618 /nfs/dbraw/zinc/11/56/18/559115618.db2.gz KUMBKKXULRHFRL-UHFFFAOYSA-N 0 0 424.328 4.661 50 0 HJAARN Cc1noc(-c2cccc(C(F)(F)F)c2)c1C(=O)NCCCN(C)c1ccccc1 ZINC000023316233 559116982 /nfs/dbraw/zinc/11/69/82/559116982.db2.gz CYCHVSWVBAGRNJ-UHFFFAOYSA-N 0 0 417.431 4.925 50 0 HJAARN O=C(NC1CCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1)c1cc2ccccc2[nH]1 ZINC000098212629 559127858 /nfs/dbraw/zinc/12/78/58/559127858.db2.gz JQWHOSLNCHKZSB-UHFFFAOYSA-N 0 0 419.916 4.610 50 0 HJAARN Cc1ccc([C@@H]2CC(c3ccccc3)=Nc3nc(NC(=O)c4cccs4)nn32)cc1 ZINC000100865654 559141410 /nfs/dbraw/zinc/14/14/10/559141410.db2.gz BBMBFPFBUORHRL-IBGZPJMESA-N 0 0 413.506 4.956 50 0 HJAARN Cc1noc(-c2ccc(OC(F)(F)F)cc2)c1C(=O)NCc1cc(F)cc(F)c1 ZINC000023323721 559147479 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CCc1ccc(-n2c(=O)c3c4c(sc3n(Cc3ccc(C)cc3)c2=O)CCC4)cc1 ZINC000004903699 559200227 /nfs/dbraw/zinc/20/02/27/559200227.db2.gz FIDATEWQKBRWGB-UHFFFAOYSA-N 0 0 416.546 4.622 50 0 HJAARN CCCCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)CC ZINC000004925719 559207706 /nfs/dbraw/zinc/20/77/06/559207706.db2.gz MZOPXZUEWBIBAT-UHFFFAOYSA-N 0 0 404.551 4.763 50 0 HJAARN COc1ccc2c(c1)c(=O)c(C(=O)c1ccc(F)cc1)cn2Cc1cccc(F)c1 ZINC000004936975 559212019 /nfs/dbraw/zinc/21/20/19/559212019.db2.gz WPBSLOMXVAWXIG-UHFFFAOYSA-N 0 0 405.400 4.568 50 0 HJAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(O)c4)cc3N2)cc1 ZINC000004953117 559215981 /nfs/dbraw/zinc/21/59/81/559215981.db2.gz UFTPLNZWWLUMBV-FUHWJXTLSA-N 0 0 416.403 4.810 50 0 HJAARN CCOC(=O)c1ccc(N[C@H]2c3ccccc3C(=O)N2c2ccc(Cl)cn2)cc1 ZINC000004960646 559217448 /nfs/dbraw/zinc/21/74/48/559217448.db2.gz IXAPFJRSFHIWGI-HXUWFJFHSA-N 0 0 407.857 4.683 50 0 HJAARN O=C(COC(=O)CC12CC3CC(CC(C3)C1)C2)Nc1ccc(OC(F)(F)F)cc1 ZINC000004964352 559218580 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/nfs/dbraw/zinc/60/63/01/560606301.db2.gz TZDBASQSDKZISE-UHFFFAOYSA-N 0 0 411.552 4.761 50 0 HJAARN O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1ccccc1OC(F)F ZINC000004846842 560609433 /nfs/dbraw/zinc/60/94/33/560609433.db2.gz OJKBZCOZGRRYSV-UHFFFAOYSA-N 0 0 411.404 4.674 50 0 HJAARN Cc1ccc(C)c([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000005559492 560615068 /nfs/dbraw/zinc/61/50/68/560615068.db2.gz JLYCNWAPCPBBCT-SFHVURJKSA-N 0 0 403.404 4.589 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)c1nnn(Cc2ccccc2F)c1-c1ccncc1 ZINC000206643412 560619094 /nfs/dbraw/zinc/61/90/94/560619094.db2.gz MAUGEFIAQBSPPT-UHFFFAOYSA-N 0 0 421.863 4.742 50 0 HJAARN COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3ccccc3OC)n2)cc1 ZINC000005575967 560624505 /nfs/dbraw/zinc/62/45/05/560624505.db2.gz GIAXPUIPKYBSIQ-UHFFFAOYSA-N 0 0 401.422 4.673 50 0 HJAARN C[C@H](NC(=O)CSc1nn(-c2ccc(F)cc2)c(=S)s1)c1ccccc1 ZINC000005176091 560624992 /nfs/dbraw/zinc/62/49/92/560624992.db2.gz BVTBKDBXPZZMBZ-LBPRGKRZSA-N 0 0 405.545 4.772 50 0 HJAARN COc1ccccc1/C=C(/C(=O)OCC(=O)N(C)C1CCCCC1)c1ccccc1 ZINC000006049286 560629288 /nfs/dbraw/zinc/62/92/88/560629288.db2.gz QMGNOJROGNTHHM-OQKWZONESA-N 0 0 407.510 4.570 50 0 HJAARN CCc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccnc4)c3)nc2c1 ZINC000005611023 560630180 /nfs/dbraw/zinc/63/01/80/560630180.db2.gz OAGCOIULUHNDJY-UHFFFAOYSA-N 0 0 402.479 4.579 50 0 HJAARN CCC(CC)NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F ZINC000005638142 560635813 /nfs/dbraw/zinc/63/58/13/560635813.db2.gz JQQVWOKAVKHSEB-UHFFFAOYSA-N 0 0 416.497 4.609 50 0 HJAARN COc1cccc(CNC(=O)Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 ZINC000024352399 560636414 /nfs/dbraw/zinc/63/64/14/560636414.db2.gz AQZFQHKJNHOVPU-UHFFFAOYSA-N 0 0 406.429 4.696 50 0 HJAARN COc1ccc(Nc2nc(N3CCC[C@@H](C)C3)nc3c2cnn3-c2ccccc2)cc1 ZINC000017245752 560705486 /nfs/dbraw/zinc/70/54/86/560705486.db2.gz CKGFYTIVOUWRHJ-QGZVFWFLSA-N 0 0 414.513 4.804 50 0 HJAARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCCN(C)c2nc3ccccc3nc21 ZINC000017364723 560712713 /nfs/dbraw/zinc/71/27/13/560712713.db2.gz GOWOMCXEXLEOJV-UHFFFAOYSA-N 0 0 415.522 4.548 50 0 HJAARN CCOc1ccccc1Nc1nnc(SCC(=O)N2[C@H](C)CCC[C@@H]2C)s1 ZINC000017750289 560725605 /nfs/dbraw/zinc/72/56/05/560725605.db2.gz AZCANRVULTZDQN-OKILXGFUSA-N 0 0 406.577 4.562 50 0 HJAARN CCCC[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2ON1c1ccccc1 ZINC000017950672 560731216 /nfs/dbraw/zinc/73/12/16/560731216.db2.gz HKJYIXSCILEBFO-QRVBRYPASA-N 0 0 419.308 4.862 50 0 HJAARN COc1ccc(-c2csc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)n2)cc1 ZINC000004690961 560735946 /nfs/dbraw/zinc/73/59/46/560735946.db2.gz BVNYEAYZYJEYSX-UHFFFAOYSA-N 0 0 400.328 4.767 50 0 HJAARN CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)COc1ccccc1OC ZINC000014738326 560753983 /nfs/dbraw/zinc/75/39/83/560753983.db2.gz BFDUANZHEGPBRZ-UHFFFAOYSA-N 0 0 415.467 4.519 50 0 HJAARN Cc1csc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3F)n2CC(C)C)n1 ZINC000008389525 560754644 /nfs/dbraw/zinc/75/46/44/560754644.db2.gz LSPXEAMULQGAPP-CYBMUJFWSA-N 0 0 419.551 4.624 50 0 HJAARN COCCn1c2ccc(Cl)cc2s/c1=N\C(=O)CCSc1ccccc1 ZINC000100873752 560761408 /nfs/dbraw/zinc/76/14/08/560761408.db2.gz WKEKKNWYAKBBJD-VZCXRCSSSA-N 0 0 406.960 4.612 50 0 HJAARN CCn1c(SCC(=O)Nc2cc(F)ccc2F)nnc1-c1cc2ccccc2o1 ZINC000010136574 560764822 /nfs/dbraw/zinc/76/48/22/560764822.db2.gz LXRGCCRMZXFJIQ-UHFFFAOYSA-N 0 0 414.437 4.720 50 0 HJAARN COc1ccc2nc(-c3ccc(F)c(NC(=O)c4ccc5ccccc5c4)c3)cn2n1 ZINC000011693549 560773642 /nfs/dbraw/zinc/77/36/42/560773642.db2.gz VMULCFJQBVSRSW-UHFFFAOYSA-N 0 0 412.424 4.950 50 0 HJAARN CCCCCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 ZINC000018106115 560775835 /nfs/dbraw/zinc/77/58/35/560775835.db2.gz KRHPZNUWRHKQCS-UHFFFAOYSA-N 0 0 411.575 4.557 50 0 HJAARN Cc1c2cc(Br)ccc2oc1C(=O)N(C)Cc1ccc2c(c1)OCO2 ZINC000018155553 560780296 /nfs/dbraw/zinc/78/02/96/560780296.db2.gz AMQNHQKAEYSOJE-UHFFFAOYSA-N 0 0 402.244 4.505 50 0 HJAARN COc1ccc(Br)cc1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccco1 ZINC000005689632 560785145 /nfs/dbraw/zinc/78/51/45/560785145.db2.gz FFRGQBRVFGVVBE-LJQANCHMSA-N 0 0 413.271 4.817 50 0 HJAARN Cc1ccc(Nc2nnc(SCC(=O)NCCc3c[nH]c4ccccc34)s2)cc1 ZINC000018245191 560785439 /nfs/dbraw/zinc/78/54/39/560785439.db2.gz LSBATCBHYGZMLX-UHFFFAOYSA-N 0 0 423.567 4.522 50 0 HJAARN Fc1cccc(Cl)c1[C@@H]1CC(c2cccc(Br)c2)=Nc2ncnn21 ZINC000101100313 560786043 /nfs/dbraw/zinc/78/60/43/560786043.db2.gz MRKFWWYKNVPQMH-HNNXBMFYSA-N 0 0 405.658 4.889 50 0 HJAARN Cc1cc(NC(=O)C2(c3ccccc3F)CCCC2)n(-c2nc3ccccc3[nH]2)n1 ZINC000005695876 560786372 /nfs/dbraw/zinc/78/63/72/560786372.db2.gz PTEZXINIJNMYNC-UHFFFAOYSA-N 0 0 403.461 4.647 50 0 HJAARN N=c1c2c(ncn1CCCO)Oc1c3ccccc3ccc1[C@H]2c1ccccc1Cl ZINC000101366823 560792804 /nfs/dbraw/zinc/79/28/04/560792804.db2.gz RSGKKKBXQMVJDT-HXUWFJFHSA-N 0 0 417.896 4.837 50 0 HJAARN CC(=O)Nc1nc2n(n1)[C@@H](c1ccccc1Cl)CC(c1ccc(Cl)cc1)=N2 ZINC000101553183 560797150 /nfs/dbraw/zinc/79/71/50/560797150.db2.gz PBFKVDBAURRCMK-QGZVFWFLSA-N 0 0 400.269 4.599 50 0 HJAARN CCOc1ccc(C2=Nc3ncnn3[C@H](c3ccccc3OC(F)F)C2)cc1Cl ZINC000101642203 560797583 /nfs/dbraw/zinc/79/75/83/560797583.db2.gz LBNXFUCQEXCYLU-INIZCTEOSA-N 0 0 418.831 4.988 50 0 HJAARN Cc1cccc(-n2c(C[C@H]3c4ccccc4N(C(C)C)C3=O)nc3ccccc3c2=O)c1 ZINC000101801410 560802049 /nfs/dbraw/zinc/80/20/49/560802049.db2.gz QSNGRUYXFVRLKE-QFIPXVFZSA-N 0 0 423.516 4.775 50 0 HJAARN Cc1cc2c(cc1C)N(CC(=O)Nc1ccccc1)C(=O)CC(c1cccs1)=N2 ZINC000101948122 560805776 /nfs/dbraw/zinc/80/57/76/560805776.db2.gz KNQJTCCLBIDVCA-UHFFFAOYSA-N 0 0 403.507 4.861 50 0 HJAARN O=C1C[C@@H](c2ccco2)CC2=Nc3nc(C(F)(F)F)nn3[C@@H](c3ccccc3)C12 ZINC000102315224 560809310 /nfs/dbraw/zinc/80/93/10/560809310.db2.gz ZRUUHKDLWPMVIM-SJCJKPOMSA-N 0 0 400.360 4.955 50 0 HJAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(F)cc3F)C(=O)C2)cc1 ZINC000102425793 560810860 /nfs/dbraw/zinc/81/08/60/560810860.db2.gz NCFLCWNFXLSHNB-UHFFFAOYSA-N 0 0 419.431 4.769 50 0 HJAARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccccc3C)C2)cc1OC ZINC000102656895 560819079 /nfs/dbraw/zinc/81/90/79/560819079.db2.gz NZCIRJWRJSEJSZ-QMHKHESXSA-N 0 0 416.481 4.669 50 0 HJAARN COc1ccc([C@H]2C3C(=O)C[C@H](c4ccccc4C)CC3=Nc3ncnn32)cc1OC ZINC000102662136 560819329 /nfs/dbraw/zinc/81/93/29/560819329.db2.gz WAJRZZRHUWXUKC-MWTRTKDXSA-N 0 0 416.481 4.669 50 0 HJAARN COc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)COc1cc(C)cc(C)c1 ZINC000102753822 560825732 /nfs/dbraw/zinc/82/57/32/560825732.db2.gz KXRIDRCWFZINNE-RCXJIHSJSA-N 0 0 423.553 4.586 50 0 HJAARN CC(C)Cn1c(SCC(=O)Nc2cc(Cl)ccc2O)nnc1-c1ccccc1 ZINC000013858107 560828956 /nfs/dbraw/zinc/82/89/56/560828956.db2.gz KKOZGPDDWGUNOK-UHFFFAOYSA-N 0 0 416.934 4.691 50 0 HJAARN COc1cc(OC)cc([C@@H]2Nc3nonc3N=C3C[C@H](c4ccccc4)CC(=O)C32)c1 ZINC000102833971 560829798 /nfs/dbraw/zinc/82/97/98/560829798.db2.gz VLUJEIMXDCWPNN-QKKBWIMNSA-N 0 0 418.453 4.716 50 0 HJAARN Cc1ccc(C)c(-c2nn(C[C@@H](O)c3ccc(F)cc3F)c(=O)c3ccccc32)c1 ZINC000051288662 560846070 /nfs/dbraw/zinc/84/60/70/560846070.db2.gz NNSIAXLFGQXOPT-JOCHJYFZSA-N 0 0 406.432 4.692 50 0 HJAARN COc1cccc(-c2cc(C(=O)Nc3ccc(C)c(C)c3)c3c(C)nn(C)c3n2)c1 ZINC000036615848 560882211 /nfs/dbraw/zinc/88/22/11/560882211.db2.gz OSINWVRZVJJDSA-UHFFFAOYSA-N 0 0 400.482 4.821 50 0 HJAARN Cc1sc2ncn(Cc3cc(=O)oc4cc(C)ccc34)c(=O)c2c1-c1ccccc1 ZINC000005017360 560883491 /nfs/dbraw/zinc/88/34/91/560883491.db2.gz KNAMIKYJWBQFSV-UHFFFAOYSA-N 0 0 414.486 4.897 50 0 HJAARN CC(=O)c1ccccc1-c1ccc2c(c1)C[C@@H](CNC(=O)c1cc(F)ccc1F)O2 ZINC000012040784 560887742 /nfs/dbraw/zinc/88/77/42/560887742.db2.gz HDNIEJYXJDLSNA-SFHVURJKSA-N 0 0 407.416 4.568 50 0 HJAARN Cc1ccccc1OCCSc1nc2ccccc2n1CC(=O)N1CCCC[C@H]1C ZINC000012062351 560888329 /nfs/dbraw/zinc/88/83/29/560888329.db2.gz TUVBHNHJIRMSHM-LJQANCHMSA-N 0 0 423.582 4.917 50 0 HJAARN COc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2cnccn2)cc1 ZINC000003441977 560889280 /nfs/dbraw/zinc/88/92/80/560889280.db2.gz SYZFYKIUOGLGGS-VMPITWQZSA-N 0 0 401.495 4.538 50 0 HJAARN COc1cccc(-c2ccc(SCC(=O)Nc3ccccc3C(F)(F)F)nn2)c1 ZINC000012140489 560890255 /nfs/dbraw/zinc/89/02/55/560890255.db2.gz BMNNVVJXBJMKEW-UHFFFAOYSA-N 0 0 419.428 4.902 50 0 HJAARN O=C(COc1ccccc1)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 ZINC000211132052 560894931 /nfs/dbraw/zinc/89/49/31/560894931.db2.gz WMXKBSFXGUXTAN-UHFFFAOYSA-N 0 0 402.479 4.966 50 0 HJAARN O=C(c1cncc(Br)c1)N1CCS[C@@H](c2ccccc2Cl)CC1 ZINC000211146788 560895435 /nfs/dbraw/zinc/89/54/35/560895435.db2.gz TVHYHPSTPPXCSK-MRXNPFEDSA-N 0 0 411.752 4.818 50 0 HJAARN CCOc1ccc(C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(N)=O)cc1 ZINC000001056678 568415313 /nfs/dbraw/zinc/41/53/13/568415313.db2.gz HMPSHFTZYAVCGI-UHFFFAOYSA-N 0 0 400.887 4.818 50 0 HJAARN COc1ccc(CCN2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2ccccc2)cc1OC ZINC000045941801 568422256 /nfs/dbraw/zinc/42/22/56/568422256.db2.gz MALVJLITARFKMV-DEOSSOPVSA-N 0 0 415.489 4.799 50 0 HJAARN O=C1C(=O)N(Cc2cccnc2)[C@H](c2cccc(Br)c2)C1c1ccccc1 ZINC000045942679 568422555 /nfs/dbraw/zinc/42/25/55/568422555.db2.gz FZDWRVHULGYAKM-HXUWFJFHSA-N 0 0 421.294 4.897 50 0 HJAARN COc1c(C)cnc(COc2cc(C)c3c(C)nn(-c4ccc(C)cc4)c3n2)c1C ZINC000045995508 568423188 /nfs/dbraw/zinc/42/31/88/568423188.db2.gz GQZUWNAILRXUDV-UHFFFAOYSA-N 0 0 402.498 4.945 50 0 HJAARN COc1ccc(NC(=O)COc2ccccc2-c2nc(-c3cccc(C)c3)no2)cc1 ZINC000046012073 568423285 /nfs/dbraw/zinc/42/32/85/568423285.db2.gz AVHBLNUFBYSWQM-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN Cc1cc2nc(CSc3ccc(NC(=O)Nc4cccc(F)c4)cc3)cc(=O)n2o1 ZINC000046012571 568423497 /nfs/dbraw/zinc/42/34/97/568423497.db2.gz UCMSKTPHWGTMEJ-UHFFFAOYSA-N 0 0 424.457 4.671 50 0 HJAARN Cc1cc2nc(CSc3ccc(NC(=O)c4ccc(C)c(F)c4)cc3)cc(=O)n2o1 ZINC000046012537 568423511 /nfs/dbraw/zinc/42/35/11/568423511.db2.gz MXGOZFFJYNWKOG-UHFFFAOYSA-N 0 0 423.469 4.588 50 0 HJAARN CCOc1ccc(Nc2c3c(nc4nc(Cc5ccc(Cl)cc5)nn42)CCC3)cc1 ZINC000046022908 568424312 /nfs/dbraw/zinc/42/43/12/568424312.db2.gz QLLMINPDOXTHGA-UHFFFAOYSA-N 0 0 419.916 5.000 50 0 HJAARN CCCCNC(=O)COc1cc(C)c2c(-c3ccccc3)nn(-c3ccccc3)c2n1 ZINC000046016475 568424436 /nfs/dbraw/zinc/42/44/36/568424436.db2.gz AVOYJHJQQICOBC-UHFFFAOYSA-N 0 0 414.509 4.691 50 0 HJAARN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(Br)c3)C2)c1 ZINC000046045690 568425142 /nfs/dbraw/zinc/42/51/42/568425142.db2.gz UNONLKQUGYVHLK-MRXNPFEDSA-N 0 0 415.331 4.557 50 0 HJAARN CCOC(=O)c1[nH]c(C)c(CCC(=O)Nc2cc(-c3cccc(Cl)c3)no2)c1C ZINC000046046113 568425294 /nfs/dbraw/zinc/42/52/94/568425294.db2.gz NREHTZNLGJXZEI-UHFFFAOYSA-N 0 0 415.877 4.688 50 0 HJAARN CCOc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(C)c2)cc1 ZINC000046056809 568426028 /nfs/dbraw/zinc/42/60/28/568426028.db2.gz JUSFWCWLXMIWDP-HXUWFJFHSA-N 0 0 403.482 4.505 50 0 HJAARN CCS(=O)(=O)N(C)c1ccc2sc(C(=O)Nc3ccc(C)c(Cl)c3)cc2c1 ZINC000046058374 568426500 /nfs/dbraw/zinc/42/65/00/568426500.db2.gz YDVJFOBPUHRNHW-UHFFFAOYSA-N 0 0 422.959 4.901 50 0 HJAARN CN(c1ccccc1)S(=O)(=O)c1cc2c(cc1Cl)Oc1ccccc1NC2=O ZINC000046077533 568427395 /nfs/dbraw/zinc/42/73/95/568427395.db2.gz BOIWIIRTWPWZEO-UHFFFAOYSA-N 0 0 414.870 4.523 50 0 HJAARN COc1ccc(C)cc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F ZINC000046079097 568427634 /nfs/dbraw/zinc/42/76/34/568427634.db2.gz UDHKMRFELMQICV-UHFFFAOYSA-N 0 0 418.468 4.988 50 0 HJAARN COc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F ZINC000046079085 568427662 /nfs/dbraw/zinc/42/76/62/568427662.db2.gz IMDADTPNXBYSHL-UHFFFAOYSA-N 0 0 404.441 4.680 50 0 HJAARN COc1ccc(NC(=O)c2ccc(N3CCCN(Cc4ccccc4)C3=O)cc2)cc1 ZINC000046079771 568427901 /nfs/dbraw/zinc/42/79/01/568427901.db2.gz WLFCHTJUBPVVIR-UHFFFAOYSA-N 0 0 415.493 4.780 50 0 HJAARN CCSc1ccccc1NC(=O)NC1CCN(C(=O)CCc2ccccc2)CC1 ZINC000047858309 568431407 /nfs/dbraw/zinc/43/14/07/568431407.db2.gz QLXKIFHCCHPITL-UHFFFAOYSA-N 0 0 411.571 4.544 50 0 HJAARN CCCOC(=O)c1ccc(NC(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000048020421 568431776 /nfs/dbraw/zinc/43/17/76/568431776.db2.gz PLHSJFQDOAGEQG-QGZVFWFLSA-N 0 0 406.486 4.541 50 0 HJAARN Cc1nc2scc(-c3ccccc3)c2c(N(C)Cc2nnc3n2CCCCC3)n1 ZINC000048274668 568435316 /nfs/dbraw/zinc/43/53/16/568435316.db2.gz MBUGGTCTPVCSEF-UHFFFAOYSA-N 0 0 404.543 4.621 50 0 HJAARN O=C1NCCCC[C@H]1Nc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c21 ZINC000048302473 568437646 /nfs/dbraw/zinc/43/76/46/568437646.db2.gz NQGPRLVRSHUEMW-GOSISDBHSA-N 0 0 415.522 4.501 50 0 HJAARN COc1cc(C(C)=O)ccc1OCCCC(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000048346095 568441007 /nfs/dbraw/zinc/44/10/07/568441007.db2.gz CPDOCHRCCXVXBT-GOSISDBHSA-N 0 0 417.502 4.549 50 0 HJAARN Cc1ccc2c(ncc(C(=O)N3CCSCC3)c2Nc2ccc(C(C)C)cc2)n1 ZINC000049004941 568444416 /nfs/dbraw/zinc/44/44/16/568444416.db2.gz IWWZOAJHNUMIIB-UHFFFAOYSA-N 0 0 406.555 4.994 50 0 HJAARN COc1ccc(Nc2c(C(=O)N3CCCC[C@@H]3C)cnc3nc(C)ccc32)cc1OC ZINC000049005197 568444475 /nfs/dbraw/zinc/44/44/75/568444475.db2.gz ABEQPFCQRZSIEY-INIZCTEOSA-N 0 0 420.513 4.714 50 0 HJAARN COc1cc(Nc2c(C(=O)N3CCC[C@H](C)C3)cnc3nc(C)ccc32)cc(OC)c1 ZINC000049005402 568444476 /nfs/dbraw/zinc/44/44/76/568444476.db2.gz RPHXZWDVUSFURS-HNNXBMFYSA-N 0 0 420.513 4.571 50 0 HJAARN O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2)C1(c2cccs2)CCCC1 ZINC000049030369 568445795 /nfs/dbraw/zinc/44/57/95/568445795.db2.gz ZIKVEVRANMVMIO-SFHVURJKSA-N 0 0 424.566 4.976 50 0 HJAARN COc1cc(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc32)cc(OC)c1 ZINC000049004755 568446863 /nfs/dbraw/zinc/44/68/63/568446863.db2.gz ZYQASBVFROFBSJ-UHFFFAOYSA-N 0 0 420.513 4.715 50 0 HJAARN CCOc1ccc(NC(=O)C2CCN(c3cc(Oc4ccccc4)ncn3)CC2)cc1 ZINC000049401739 568447910 /nfs/dbraw/zinc/44/79/10/568447910.db2.gz GMVREJYCLHLFOV-UHFFFAOYSA-N 0 0 418.497 4.523 50 0 HJAARN COc1cccc(-n2nnc(C(=O)Nc3ccc(C)cc3Cl)c2-c2ccccn2)c1 ZINC000049406912 568449056 /nfs/dbraw/zinc/44/90/56/568449056.db2.gz ZLSYFIHQCLXBHJ-UHFFFAOYSA-N 0 0 419.872 4.552 50 0 HJAARN CSc1ccc([C@@H]2CC(=O)N(c3ccc(F)c(F)c3)c3c2sc(=O)n3C)cc1 ZINC000049550524 568451964 /nfs/dbraw/zinc/45/19/64/568451964.db2.gz CVIJEOGBPNPSAI-AWEZNQCLSA-N 0 0 418.490 4.647 50 0 HJAARN O=C(Cc1cc(Cl)c2c(c1)OCCCO2)N1CCCCC[C@H]1c1ccncc1 ZINC000049764322 568453376 /nfs/dbraw/zinc/45/33/76/568453376.db2.gz OIZVHXGAEOUOJY-IBGZPJMESA-N 0 0 400.906 4.583 50 0 HJAARN CCCc1cc2c(cc1OC(C)=O)oc(C)c(-c1ccc3c(c1)OCCCO3)c2=O ZINC000000630509 568456344 /nfs/dbraw/zinc/45/63/44/568456344.db2.gz OXUVXWNUWQYLHT-UHFFFAOYSA-N 0 0 408.450 4.808 50 0 biogenic HJAARN Cc1nc2ccccc2n1C[C@H](O)COc1ccc2ccccc2c1Br ZINC000000644759 568457207 /nfs/dbraw/zinc/45/72/07/568457207.db2.gz STTCLPGRESUADY-INIZCTEOSA-N 0 0 411.299 4.700 50 0 HJAARN Cc1ccc2ncc(C(=O)c3ccccc3)c(S(=O)(=O)c3ccc(F)cc3)c2c1 ZINC000006820155 568459587 /nfs/dbraw/zinc/45/95/87/568459587.db2.gz UATISUCSQFUNNP-UHFFFAOYSA-N 0 0 405.450 4.746 50 0 HJAARN Cc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)Nc2ccc3c(c2)OCO3)cc1C ZINC000000689463 568461766 /nfs/dbraw/zinc/46/17/66/568461766.db2.gz DBQVQJPDNPCGHV-XDHOZWIPSA-N 0 0 420.490 4.503 50 0 HJAARN CC(C)Sc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(C)(C)OC3 ZINC000000688864 568461768 /nfs/dbraw/zinc/46/17/68/568461768.db2.gz XLGPLNYYRVDOHP-UHFFFAOYSA-N 0 0 400.569 4.858 50 0 HJAARN CN(Cc1ccccc1)C(=O)c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000000709165 568463598 /nfs/dbraw/zinc/46/35/98/568463598.db2.gz SSCYQUITHMYSFI-WBVHZDCISA-N 0 0 420.460 4.877 50 0 HJAARN O=C(c1ccccc1)N1C[C@H](COc2ccccc2)O[C@@H](c2c[nH]c3ccccc32)O1 ZINC000000710000 568463738 /nfs/dbraw/zinc/46/37/38/568463738.db2.gz ZFGQRFFERSTKPE-CJFMBICVSA-N 0 0 414.461 4.718 50 0 HJAARN O=C(CCc1cc(Cl)no1)Nc1ccc2oc(-c3ccc(F)cc3)cc(=O)c2c1 ZINC000012322814 568471103 /nfs/dbraw/zinc/47/11/03/568471103.db2.gz GZSATXHOAZRTCZ-UHFFFAOYSA-N 0 0 412.804 4.812 50 0 HJAARN CCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccccc1F ZINC000012322842 568471145 /nfs/dbraw/zinc/47/11/45/568471145.db2.gz BLTUCKXNHQHCHY-UHFFFAOYSA-N 0 0 414.502 4.739 50 0 HJAARN O=C(NC1CCCCC1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000000780538 568474795 /nfs/dbraw/zinc/47/47/95/568474795.db2.gz KYSJHCGIYDMTPX-XMMPIXPASA-N 0 0 408.567 4.566 50 0 HJAARN Cc1csc(-n2c(C)cc(-c3csc(CNC(=O)c4ccccc4)n3)c2C)n1 ZINC000022195138 568476051 /nfs/dbraw/zinc/47/60/51/568476051.db2.gz PNIHMHMYGGCSGI-UHFFFAOYSA-N 0 0 408.552 4.913 50 0 HJAARN CCC1=NN(C(=O)c2cccc(Cl)c2)[C@](O)(c2ccc(Br)cc2)C1 ZINC000000799705 568483603 /nfs/dbraw/zinc/48/36/03/568483603.db2.gz WPAWQEGOUWEAES-GOSISDBHSA-N 0 0 407.695 4.560 50 0 HJAARN O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1ccc(Cl)cc1 ZINC000000801896 568484887 /nfs/dbraw/zinc/48/48/87/568484887.db2.gz WKBQVKMGQWVLLD-UHFFFAOYSA-N 0 0 400.916 4.842 50 0 HJAARN COc1ccc([C@H](NC(=O)N2CCc3c([nH]c4ccccc43)C2)C(C)C)cc1OC ZINC000604403905 568492303 /nfs/dbraw/zinc/49/23/03/568492303.db2.gz DEFSFASOKJKJBR-HSZRJFAPSA-N 0 0 407.514 4.650 50 0 biogenic HJAARN Cc1cc(C)nc(Sc2ccc(NC(=O)c3cncn3-c3ccccc3)cc2)n1 ZINC000022890821 568500316 /nfs/dbraw/zinc/50/03/16/568500316.db2.gz IQDMKLUMUXLQQF-UHFFFAOYSA-N 0 0 401.495 4.683 50 0 HJAARN Cc1ccccc1CN(C)C(=O)CSc1nc(C(F)(F)F)nc2ccccc21 ZINC000008428070 568501377 /nfs/dbraw/zinc/50/13/77/568501377.db2.gz QOAQONAATAHGDC-UHFFFAOYSA-N 0 0 405.445 4.708 50 0 HJAARN COc1cc(N2CCn3c(nc4cc(Cl)ccc43)C2)ccc1NC(=O)c1ccco1 ZINC000033018612 568510393 /nfs/dbraw/zinc/51/03/93/568510393.db2.gz AUEVDNRGAMOROF-UHFFFAOYSA-N 0 0 422.872 4.564 50 0 HJAARN Cc1cccc(C(=O)Nc2ccccc2SCc2cc(=O)n3ccc(C)cc3n2)c1 ZINC000033025959 568510579 /nfs/dbraw/zinc/51/05/79/568510579.db2.gz JOKJHLBNAXIUBI-UHFFFAOYSA-N 0 0 415.518 4.856 50 0 HJAARN Cc1ccccc1NC(=O)CCCc1nc2cccnc2n1Cc1ccc(F)cc1 ZINC000033072797 568511080 /nfs/dbraw/zinc/51/10/80/568511080.db2.gz QMUWBCNASRQUMJ-UHFFFAOYSA-N 0 0 402.473 4.889 50 0 HJAARN Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)Nc1cccc(C)c1C ZINC000033173796 568511646 /nfs/dbraw/zinc/51/16/46/568511646.db2.gz WNIOXRHMGYNKHU-UHFFFAOYSA-N 0 0 415.462 4.883 50 0 HJAARN Cc1ccc(NC(=O)NCCCn2c(-c3ccc(F)cc3)nc3cccnc32)cc1F ZINC000033263799 568512173 /nfs/dbraw/zinc/51/21/73/568512173.db2.gz XBWMHJREXGTALC-UHFFFAOYSA-N 0 0 421.451 4.897 50 0 HJAARN CCc1cc([C@@H](c2ccc(C)cc2)N2CCOCC2)c(NC(=O)c2ccco2)s1 ZINC000038546050 568577880 /nfs/dbraw/zinc/57/78/80/568577880.db2.gz TUJFUSSVYBNYSL-OAQYLSRUSA-N 0 0 410.539 4.886 50 0 HJAARN Cc1ccc(-n2c3c(cc(C(=O)Nc4ccccc4)c2=O)C(=O)CC(C)(C)C3)cc1 ZINC000020033077 568586500 /nfs/dbraw/zinc/58/65/00/568586500.db2.gz XPFFVAARTCALQP-UHFFFAOYSA-N 0 0 400.478 4.553 50 0 HJAARN CCCCCc1ccc(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 ZINC000020112497 568588971 /nfs/dbraw/zinc/58/89/71/568588971.db2.gz FLWSMFFYVJDFES-FQEVSTJZSA-N 0 0 409.526 4.959 50 0 biogenic HJAARN O=C(c1ccc2ncsc2c1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 ZINC000390829372 568591737 /nfs/dbraw/zinc/59/17/37/568591737.db2.gz DWPUUCLJLBBFFT-UHFFFAOYSA-N 0 0 408.449 4.597 50 0 HJAARN FC(F)(F)c1cccc(N2CCN(Cc3nnc(-c4cccc(Cl)c4)o3)CC2)c1 ZINC000020177744 568592875 /nfs/dbraw/zinc/59/28/75/568592875.db2.gz NJLZWIXTVDRYDF-UHFFFAOYSA-N 0 0 422.838 4.731 50 0 HJAARN COc1ccccc1N1CCN(Cc2ccc(C(=O)Nc3ccc(C)cc3)cc2)CC1 ZINC000020241843 568596030 /nfs/dbraw/zinc/59/60/30/568596030.db2.gz ULONFGAEAAPTEP-UHFFFAOYSA-N 0 0 415.537 4.578 50 0 HJAARN COc1ccc(C(=O)c2cn(Cc3cccc(F)c3)c3c(F)cc(F)cc3c2=O)cc1 ZINC000020285316 568596914 /nfs/dbraw/zinc/59/69/14/568596914.db2.gz YDRSTCZGDDTPCL-UHFFFAOYSA-N 0 0 423.390 4.707 50 0 HJAARN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NCc1ccc(-n2ccnc2)cc1 ZINC000095377665 568603380 /nfs/dbraw/zinc/60/33/80/568603380.db2.gz AFKHLPYORJDUJL-UHFFFAOYSA-N 0 0 414.943 4.949 50 0 HJAARN CC(C)[C@@H](C(=O)N[C@@H]1CCc2cc(Cl)ccc21)n1cnc2cc(F)c(F)cc21 ZINC000095392550 568604204 /nfs/dbraw/zinc/60/42/04/568604204.db2.gz YRYZMXDXGFUZNJ-XLIONFOSSA-N 0 0 403.860 4.969 50 0 HJAARN O=C(c1cc2c(s1)-c1ccccc1SC2)N1CCN(Cc2ccccc2)CC1 ZINC000020414563 568605775 /nfs/dbraw/zinc/60/57/75/568605775.db2.gz VALBZHCAKFNWLY-UHFFFAOYSA-N 0 0 406.576 4.979 50 0 HJAARN Cc1ccccc1OCCOCCOc1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000020419041 568606753 /nfs/dbraw/zinc/60/67/53/568606753.db2.gz LJFFDLVKHZYRAA-XMHGGMMESA-N 0 0 415.536 4.799 50 0 HJAARN Cn1cc(C[C@@H]2CCN(C(=O)Nc3sc(C4CC4)nc3-c3ccccc3)C2)cn1 ZINC000095430192 568608771 /nfs/dbraw/zinc/60/87/71/568608771.db2.gz PLYHBOVLBKPEPC-HNNXBMFYSA-N 0 0 407.543 4.518 50 0 HJAARN Cc1ccnc([C@@H](Nc2nc(-c3cccnc3)nc3sc4c(c32)CCC4)C2CC2)n1 ZINC000095446203 568611794 /nfs/dbraw/zinc/61/17/94/568611794.db2.gz IRWJLKYSWRHWSO-IBGZPJMESA-N 0 0 414.538 4.904 50 0 HJAARN CCn1c2ccccc2c2nnc(NCCOc3cccc(C(F)(F)F)c3)nc21 ZINC000020488448 568613883 /nfs/dbraw/zinc/61/38/83/568613883.db2.gz JZNFWUUQNVCSDZ-UHFFFAOYSA-N 0 0 401.392 4.509 50 0 HJAARN COc1ccc(-n2cc(C(=O)N(CC(C)C)CC(C)C)c3ccccc3c2=O)cc1 ZINC000020508897 568620208 /nfs/dbraw/zinc/62/02/08/568620208.db2.gz JAFNPEQYROBKSD-UHFFFAOYSA-N 0 0 406.526 4.754 50 0 HJAARN Cc1csc(CN(C)C(=O)[C@H]2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)n1 ZINC000095465662 568623765 /nfs/dbraw/zinc/62/37/65/568623765.db2.gz CWJWWHNDQUAONR-CABCVRRESA-N 0 0 402.951 4.914 50 0 HJAARN CCS(=O)(=O)Nc1ccc(N[C@@H]2CC=C(c3ccc(F)cc3)CC2)cc1OC ZINC000095467447 568624671 /nfs/dbraw/zinc/62/46/71/568624671.db2.gz OIPSTFXLHXLWPC-GOSISDBHSA-N 0 0 404.507 4.644 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cnc2scc(-c3ccccc3)n2c1=O ZINC000020530481 568626882 /nfs/dbraw/zinc/62/68/82/568626882.db2.gz UYDRJSCCCFKFAU-UHFFFAOYSA-N 0 0 415.396 4.694 50 0 HJAARN O=C(Nc1ccc(Br)cc1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC000020531086 568627069 /nfs/dbraw/zinc/62/70/69/568627069.db2.gz GNWNYCBZUWYGTF-HXUWFJFHSA-N 0 0 421.294 4.785 50 0 HJAARN CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1-c1cc(OC)c(OC)cc1C2 ZINC000095476495 568630476 /nfs/dbraw/zinc/63/04/76/568630476.db2.gz IOWCDYLXOAMQTB-UHFFFAOYSA-N 0 0 423.490 4.766 50 0 HJAARN CC1=Nc2c(c(=O)[nH]n2C2CCOCC2)[C@H](c2cccc(Br)c2)S1 ZINC000095479822 568632901 /nfs/dbraw/zinc/63/29/01/568632901.db2.gz QPAIFVIGIAUBOF-HNNXBMFYSA-N 0 0 408.321 4.589 50 0 HJAARN COc1cccc([C@H](NC(=O)c2ccnc(SC(C)(C)C)c2)c2ccccn2)c1 ZINC000225386569 568633247 /nfs/dbraw/zinc/63/32/47/568633247.db2.gz FQWNAOMHEHZJAG-NRFANRHFSA-N 0 0 407.539 4.895 50 0 HJAARN Cc1ccc(-c2noc(CNC(=O)CSCc3ccc(Cl)cc3Cl)n2)cc1 ZINC000095482470 568634398 /nfs/dbraw/zinc/63/43/98/568634398.db2.gz DKEGRNLUXUWAQG-UHFFFAOYSA-N 0 0 422.337 4.901 50 0 HJAARN O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1nc(-c2ccccc2)no1 ZINC000095482473 568634478 /nfs/dbraw/zinc/63/44/78/568634478.db2.gz RAOWABWHGNWLDW-UHFFFAOYSA-N 0 0 408.310 4.593 50 0 HJAARN Cc1nc2c(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)cnn2c(C)c1Cc1ccccc1F ZINC000020678241 568639927 /nfs/dbraw/zinc/63/99/27/568639927.db2.gz IGKDBGFTKROYLZ-DOQJBMMISA-N 0 0 408.521 4.631 50 0 HJAARN CSc1cccc(NC(=O)c2cnc3scc(-c4ccc(F)cc4)n3c2=O)c1 ZINC000020767937 568643504 /nfs/dbraw/zinc/64/35/04/568643504.db2.gz GDKDQAMWINGBCI-UHFFFAOYSA-N 0 0 411.483 4.536 50 0 HJAARN CN(C)c1cccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@@H](C(C)(C)C)C2)c1 ZINC000225504992 568644156 /nfs/dbraw/zinc/64/41/56/568644156.db2.gz MLMZIZCWIYVHBD-HXUWFJFHSA-N 0 0 419.978 4.619 50 0 HJAARN CN1CCc2nc3sc(C(=O)c4cccs4)c(N)c3c(-c3cccs3)c2C1 ZINC000020813208 568644257 /nfs/dbraw/zinc/64/42/57/568644257.db2.gz QTFCHHVLWHJMLT-UHFFFAOYSA-N 0 0 411.577 4.887 50 0 HJAARN COc1ccc([C@@](O)(CC(C)C)[C@H](CN2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020868287 568647240 /nfs/dbraw/zinc/64/72/40/568647240.db2.gz MDDIGKZIVUQBLA-RPWUZVMVSA-N 0 0 417.977 4.698 50 0 HJAARN Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(F)cc1F)SCC(=O)N2 ZINC000020891997 568647875 /nfs/dbraw/zinc/64/78/75/568647875.db2.gz VOTFXCAPJSNOTF-GOSISDBHSA-N 0 0 405.857 4.887 50 0 HJAARN Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1cc(F)ccc1F)SCC(=O)N2 ZINC000020892038 568647954 /nfs/dbraw/zinc/64/79/54/568647954.db2.gz KDNHFCBATPNBBM-SFHVURJKSA-N 0 0 405.857 4.887 50 0 HJAARN Cc1csc2c1ncnc2NCc1cccc(-c2nc(-c3ccncc3)no2)c1 ZINC000225533852 568648125 /nfs/dbraw/zinc/64/81/25/568648125.db2.gz OMUASVAVLFZOMS-UHFFFAOYSA-N 0 0 400.467 4.724 50 0 HJAARN COc1cccc(NC(=O)CSc2nc3ccc(NC(=O)C(C)C)cc3s2)c1 ZINC000020894964 568648612 /nfs/dbraw/zinc/64/86/12/568648612.db2.gz BMRYMLAGHCUPEW-UHFFFAOYSA-N 0 0 415.540 4.630 50 0 HJAARN CCCN(CCC)C(=O)c1oc2ccccc2c1NC(=O)c1cc(OC)cc(OC)c1 ZINC000020900603 568649599 /nfs/dbraw/zinc/64/95/99/568649599.db2.gz CNVWUQYJIITSMJ-UHFFFAOYSA-N 0 0 424.497 4.965 50 0 HJAARN Cc1cc(C)cc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCC2)c1 ZINC000020903058 568650393 /nfs/dbraw/zinc/65/03/93/568650393.db2.gz WHMFEWXOYOXIFV-AREMUKBSSA-N 0 0 415.537 4.736 50 0 HJAARN CCCCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCCCC1 ZINC000020903376 568650618 /nfs/dbraw/zinc/65/06/18/568650618.db2.gz ORTPUDRSCRSHHA-VWLOTQADSA-N 0 0 409.574 4.885 50 0 HJAARN O=C(C1=Cc2sc3c(c2CS1)CCCC3)N1CCN(Cc2ccccc2)CC1 ZINC000020931506 568651862 /nfs/dbraw/zinc/65/18/62/568651862.db2.gz VALANQUSECHZMN-UHFFFAOYSA-N 0 0 410.608 4.559 50 0 HJAARN Cc1cc2c(cc1S(=O)(=O)Nc1cccc(F)c1)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000020990033 568655636 /nfs/dbraw/zinc/65/56/36/568655636.db2.gz JZNCQJCQKHYWGM-UHFFFAOYSA-N 0 0 400.475 4.571 50 0 HJAARN Cc1ccc(NS(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CCC4)cc1Cl ZINC000020990229 568655855 /nfs/dbraw/zinc/65/58/55/568655855.db2.gz SWLUMWXVYYHTKB-UHFFFAOYSA-N 0 0 402.903 4.758 50 0 HJAARN COC(=O)c1ccc(NC(=O)NCc2cccn2Cc2c(C)cc(C)cc2C)cc1 ZINC000020995831 568656670 /nfs/dbraw/zinc/65/66/70/568656670.db2.gz JTZWZFJSIIXUSS-UHFFFAOYSA-N 0 0 405.498 4.570 50 0 HJAARN CC(=O)N1N=C(COc2ccc(Cl)cc2C)O[C@H]1c1ccc(Br)cc1 ZINC000021091637 568664283 /nfs/dbraw/zinc/66/42/83/568664283.db2.gz GPOYBJDYPNMNLM-SFHVURJKSA-N 0 0 423.694 4.681 50 0 HJAARN O=C(NCc1cc(Br)ccc1F)c1cccc(OCc2cscn2)c1 ZINC000095948647 568665734 /nfs/dbraw/zinc/66/57/34/568665734.db2.gz ZOWARJOCEWZODK-UHFFFAOYSA-N 0 0 421.291 4.554 50 0 HJAARN Cc1ccccc1NC(=O)N1CCCN(c2nc3cc(F)ccc3n3cccc23)CC1 ZINC000021104100 568666768 /nfs/dbraw/zinc/66/67/68/568666768.db2.gz BGHHFBSXACVUPQ-UHFFFAOYSA-N 0 0 417.488 4.679 50 0 HJAARN CCOc1ccc(OCC)c(Nc2c3[nH]cccc-3c(=O)n2-c2cccc(OC)c2)c1 ZINC000021104697 568666907 /nfs/dbraw/zinc/66/69/07/568666907.db2.gz QPRGHJBHXQRNMJ-QHCPKHFHSA-N 0 0 419.481 4.659 50 0 HJAARN O=c1c2ccc[nH]c-2c(Nc2ccc(OC(F)(F)F)cc2)n1Cc1cccs1 ZINC000021106151 568666944 /nfs/dbraw/zinc/66/69/44/568666944.db2.gz 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RBXPPCJUQBEVFR-UHFFFAOYSA-N 0 0 412.467 4.959 50 0 HJAARN COc1ccc(Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc(OC)ccc32)cc1 ZINC000002687714 568800935 /nfs/dbraw/zinc/80/09/35/568800935.db2.gz DPFHYUWFZBSFBA-UHFFFAOYSA-N 0 0 413.473 4.606 50 0 HJAARN CCOc1ccc(C(=O)c2cn(Cc3cccc(F)c3)c3ccccc3c2=O)cc1 ZINC000002687013 568800959 /nfs/dbraw/zinc/80/09/59/568800959.db2.gz JGQUNZLEACWGHW-UHFFFAOYSA-N 0 0 401.437 4.819 50 0 HJAARN CC(=O)c1sc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)nc1-c1ccccc1 ZINC000028701271 568802994 /nfs/dbraw/zinc/80/29/94/568802994.db2.gz IMUHLGAARNXVGG-LJQANCHMSA-N 0 0 422.506 4.823 50 0 HJAARN COc1ccccc1C(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccccc1 ZINC000002724567 568803459 /nfs/dbraw/zinc/80/34/59/568803459.db2.gz OEALTTCYPMEUAI-JOCHJYFZSA-N 0 0 406.869 4.533 50 0 HJAARN Cc1cccc(C(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@@H]2c2ccc(F)cc2)c1 ZINC000002724538 568803470 /nfs/dbraw/zinc/80/34/70/568803470.db2.gz HEDCLSBLYVHQOL-QFIPXVFZSA-N 0 0 408.860 4.971 50 0 HJAARN Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)c1ccc(OC(C)C)cc1)CC(=O)N2 ZINC000002724276 568803476 /nfs/dbraw/zinc/80/34/76/568803476.db2.gz PXYVVJYQFIDSAX-VWLOTQADSA-N 0 0 414.505 4.966 50 0 HJAARN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4C)[C@@H]3C2=O)c(C)c1 ZINC000230044073 568804491 /nfs/dbraw/zinc/80/44/91/568804491.db2.gz HFOLDOQWPQYRAR-RBZQAINGSA-N 0 0 412.489 4.663 50 0 HJAARN COc1ccc(OCc2nc3c4c(ncn3n2)sc(C)c4-c2ccccc2)cc1 ZINC000002791644 568809833 /nfs/dbraw/zinc/80/98/33/568809833.db2.gz QKDQLTSXUGXQHZ-UHFFFAOYSA-N 0 0 402.479 4.902 50 0 HJAARN O=C(NCc1nnc2n1CCC2)Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000056676963 568813550 /nfs/dbraw/zinc/81/35/50/568813550.db2.gz GETVJHNEQWTMEV-UHFFFAOYSA-N 0 0 402.285 4.520 50 0 HJAARN COCCNC(=O)c1ccc(Cl)c(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000002923975 568817209 /nfs/dbraw/zinc/81/72/09/568817209.db2.gz SZKHEXKJEQDRDF-UHFFFAOYSA-N 0 0 416.692 4.667 50 0 HJAARN COC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]12C ZINC000257350385 568817900 /nfs/dbraw/zinc/81/79/00/568817900.db2.gz XAAOVQCJMNBXLL-FNDZKJSESA-N 0 0 404.591 4.775 50 0 HJAARN COc1ccccc1CNC(=O)c1cn(-c2ccc(C)c(C)c2)c(=O)c2ccccc12 ZINC000002938085 568818709 /nfs/dbraw/zinc/81/87/09/568818709.db2.gz QYPNOBVFMVBGQO-UHFFFAOYSA-N 0 0 412.489 4.546 50 0 HJAARN O=C(NCc1ccncc1)c1csc(-c2cccc(OCc3ccc(F)cc3)c2)n1 ZINC000034712726 568818942 /nfs/dbraw/zinc/81/89/42/568818942.db2.gz JKNXVRONTPRDMM-UHFFFAOYSA-N 0 0 419.481 4.853 50 0 HJAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]1C(=O)C[C@@H]1[C@H]2CC[C@@H]2C[C@H](OC(C)=O)CC[C@@H]21 ZINC000261490491 568819964 /nfs/dbraw/zinc/81/99/64/568819964.db2.gz XPPKGBUAWXKTTC-ZQRGXJQSSA-N 0 0 418.574 4.565 50 0 HJAARN O=S(=O)(Nc1ncc(C(F)(F)F)cc1Cl)c1cccc(C(F)(F)F)c1 ZINC000261495031 568820794 /nfs/dbraw/zinc/82/07/94/568820794.db2.gz QWYIBGCTZWPUON-UHFFFAOYSA-N 0 0 404.719 4.573 50 0 HJAARN O=C(Nc1cccc(NC(=S)NC(=O)c2cccc3ccccc32)c1)c1ccco1 ZINC000001175358 568821363 /nfs/dbraw/zinc/82/13/63/568821363.db2.gz YOBAFSVGBXUPDF-UHFFFAOYSA-N 0 0 415.474 4.812 50 0 HJAARN O=C(Nc1ccccc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)c1ccccc1 ZINC000029268248 568823818 /nfs/dbraw/zinc/82/38/18/568823818.db2.gz IJPJVCBWEVPIIY-UHFFFAOYSA-N 0 0 424.504 4.835 50 0 HJAARN Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(Cc1cccc(C(F)(F)F)c1)CO2 ZINC000057143092 568824529 /nfs/dbraw/zinc/82/45/29/568824529.db2.gz LJKAPFROCDINGN-UHFFFAOYSA-N 0 0 415.411 4.961 50 0 HJAARN COCCn1c(C)cc(C(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1C ZINC000005839626 568825472 /nfs/dbraw/zinc/82/54/72/568825472.db2.gz VJKCUNUBHULGQY-UHFFFAOYSA-N 0 0 417.933 4.643 50 0 HJAARN O=C(CSc1nncn1-c1ccccc1)Nc1ccccc1Oc1ccccc1 ZINC000005860596 568826310 /nfs/dbraw/zinc/82/63/10/568826310.db2.gz LFGMHEJQWKWUJW-UHFFFAOYSA-N 0 0 402.479 4.790 50 0 HJAARN CCOC(=O)c1c(NC(=O)COc2cc(C(C)C)ccc2C)sc2c1CCC2 ZINC000005860407 568826313 /nfs/dbraw/zinc/82/63/13/568826313.db2.gz MBWXZEVNNNUEEL-UHFFFAOYSA-N 0 0 401.528 4.863 50 0 HJAARN Cc1cc(C(=O)CSc2nnc(-c3ccco3)n2C)c(C)n1Cc1cccs1 ZINC000005862821 568826656 /nfs/dbraw/zinc/82/66/56/568826656.db2.gz QRLMHFODGDWCDG-UHFFFAOYSA-N 0 0 412.540 4.578 50 0 HJAARN Cc1cccc(-n2c(/C=C3\c4ccccc4N(C(C)C)C3=O)nc3ccccc3c2=O)c1 ZINC000034795034 568827448 /nfs/dbraw/zinc/82/74/48/568827448.db2.gz IKFLEHSUQKGHQR-CJLVFECKSA-N 0 0 421.500 4.990 50 0 HJAARN CCN(CC)C(=O)c1cccc(NC(=O)c2ccccc2C(=O)c2ccc(C)cc2)c1 ZINC000029626381 568827970 /nfs/dbraw/zinc/82/79/70/568827970.db2.gz WFCXMCPXJWGXHF-UHFFFAOYSA-N 0 0 414.505 4.960 50 0 HJAARN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H]3CCCc4ccccc43)c2)cc1 ZINC000005885457 568828239 /nfs/dbraw/zinc/82/82/39/568828239.db2.gz NIXTUWBTEKWHOM-HSZRJFAPSA-N 0 0 420.534 4.603 50 0 HJAARN Cc1ccc([C@@H](C)NC(=O)CSc2nncn2-c2cccc(Cl)c2)cc1C ZINC000005890322 568828265 /nfs/dbraw/zinc/82/82/65/568828265.db2.gz SHKASHORCVLQEW-OAHLLOKOSA-N 0 0 400.935 4.507 50 0 HJAARN COc1ccc2oc(=O)c(-c3csc(N(C(C)=O)c4cccc(C)c4)n3)cc2c1 ZINC000002956347 568829902 /nfs/dbraw/zinc/82/99/02/568829902.db2.gz VMFXZUHASIYSQV-UHFFFAOYSA-N 0 0 406.463 4.918 50 0 HJAARN CN(CCc1ccccn1)Cn1nc(-c2cccs2)n(-c2ccccc2)c1=S ZINC000005934754 568830497 /nfs/dbraw/zinc/83/04/97/568830497.db2.gz DRFXHUCXLWSNRD-UHFFFAOYSA-N 0 0 407.568 4.659 50 0 HJAARN CCCn1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(C)cc1Cl ZINC000057425192 568834636 /nfs/dbraw/zinc/83/46/36/568834636.db2.gz TYKVBFCIOJZUJT-UHFFFAOYSA-N 0 0 407.948 4.561 50 0 HJAARN CCc1ccc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CCOC)cc1 ZINC000006035288 568836038 /nfs/dbraw/zinc/83/60/38/568836038.db2.gz WGLISMIADJUCHF-UHFFFAOYSA-N 0 0 415.946 4.782 50 0 HJAARN O=C(COC(=O)c1ccccc1Nc1ccccc1)N[C@@H]1CCCc2ccccc21 ZINC000006038153 568836210 /nfs/dbraw/zinc/83/62/10/568836210.db2.gz QRXKKLVEVQTSBC-JOCHJYFZSA-N 0 0 400.478 4.781 50 0 HJAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NC4CCCCC4)cc3N2)cc1 ZINC000003011337 568838035 /nfs/dbraw/zinc/83/80/35/568838035.db2.gz WIDCSIMUOYJTPE-FUHWJXTLSA-N 0 0 406.452 4.914 50 0 HJAARN CCCC[C@H](CC)CNC(=O)Cc1ccc(-n2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000003010396 568838134 /nfs/dbraw/zinc/83/81/34/568838134.db2.gz OOSWFTPPQLCDJK-KRWDZBQOSA-N 0 0 423.582 4.923 50 0 HJAARN Cc1ccccc1-n1c(=O)c2c[nH]nc2nc1SCc1ccc(C(F)(F)F)cc1 ZINC000003014345 568838370 /nfs/dbraw/zinc/83/83/70/568838370.db2.gz CQDQMAYUDOAEHZ-UHFFFAOYSA-N 0 0 416.428 4.728 50 0 HJAARN Cc1cccc(NC(=O)c2cc(S(=O)(=O)N[C@@H]3CCCC[C@H]3C)ccc2F)c1C ZINC000003023455 568840678 /nfs/dbraw/zinc/84/06/78/568840678.db2.gz YIDQYYPAUZIFEB-FOIQADDNSA-N 0 0 418.534 4.552 50 0 HJAARN Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)NC3CCCCCC3)c2)cc1F ZINC000003022981 568840714 /nfs/dbraw/zinc/84/07/14/568840714.db2.gz DLDHARCVPPWXGO-UHFFFAOYSA-N 0 0 422.497 4.527 50 0 HJAARN CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc3sccc3c2)cc1 ZINC000005373286 568840983 /nfs/dbraw/zinc/84/09/83/568840983.db2.gz RKTSHTBLDSSDNO-UHFFFAOYSA-N 0 0 414.552 4.717 50 0 HJAARN COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N1CCC[C@@H]1c1cccn1C ZINC000057481563 568841359 /nfs/dbraw/zinc/84/13/59/568841359.db2.gz WESZFEPIDFFJTJ-VWNXMTODSA-N 0 0 403.526 4.859 50 0 HJAARN C[C@@H](CNC(=O)c1ccc(Cl)cc1Cl)NC(=O)c1ccc(Cl)cc1Cl ZINC000001995046 568842043 /nfs/dbraw/zinc/84/20/43/568842043.db2.gz YEKXXOQQQFFNDR-VIFPVBQESA-N 0 0 420.123 4.849 50 0 HJAARN COc1ccc(C)cc1NC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000057486703 568842419 /nfs/dbraw/zinc/84/24/19/568842419.db2.gz LEDSGAZEQQVKQE-UHFFFAOYSA-N 0 0 422.872 4.814 50 0 HJAARN COc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(C)cc3)no2)cc1Cl ZINC000057486837 568842619 /nfs/dbraw/zinc/84/26/19/568842619.db2.gz GEQYYWSWIVEEQK-UHFFFAOYSA-N 0 0 422.872 4.814 50 0 HJAARN CCOc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000057486811 568842632 /nfs/dbraw/zinc/84/26/32/568842632.db2.gz LOPZGMAHIJSRHX-UHFFFAOYSA-N 0 0 402.454 4.551 50 0 HJAARN Cn1ccnc1SC[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000003984997 568844000 /nfs/dbraw/zinc/84/40/00/568844000.db2.gz PGSWBIZOBGMFIQ-UNTFZJFLSA-N 0 0 416.631 4.567 50 0 biogenic HJAARN Cc1c(=O)c2cccc(C(=O)OCc3nccn3C(F)F)c2oc1-c1ccccc1 ZINC000012529546 568844043 /nfs/dbraw/zinc/84/40/43/568844043.db2.gz SQMACZACTXSFRC-UHFFFAOYSA-N 0 0 410.376 4.717 50 0 HJAARN Cc1c2c(c(C)n1C)[C@@H](C(=O)NC1CCC(C)CC1)N(c1ccc(Cl)cc1)C2=O ZINC000003030820 568844369 /nfs/dbraw/zinc/84/43/69/568844369.db2.gz DUUDLTISOSKZIS-HAKZDTQMSA-N 0 0 413.949 4.692 50 0 HJAARN Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N[C@H]3CCCC[C@H]3C)ccc2F)c1 ZINC000003031153 568844618 /nfs/dbraw/zinc/84/46/18/568844618.db2.gz SJFSYMLFFWMYFF-QRWLVFNGSA-N 0 0 418.534 4.552 50 0 HJAARN C[C@H](OC(=O)c1n[nH]c2ccccc21)C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000012535047 568845115 /nfs/dbraw/zinc/84/51/15/568845115.db2.gz WXDBOLLWFBPXHF-QMMMGPOBSA-N 0 0 412.660 4.707 50 0 HJAARN Cc1occc1C(=O)Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000012535928 568845472 /nfs/dbraw/zinc/84/54/72/568845472.db2.gz MXEDBTVLIOQNOC-UHFFFAOYSA-N 0 0 424.400 4.660 50 0 HJAARN C[C@@H]1CCCC[C@@H]1NC(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000003035049 568845564 /nfs/dbraw/zinc/84/55/64/568845564.db2.gz ZQGXJOXUZPMWBO-CJNGLKHVSA-N 0 0 402.420 4.724 50 0 HJAARN O=C(CNc1ccc(Br)cc1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000012536368 568845794 /nfs/dbraw/zinc/84/57/94/568845794.db2.gz YXWVHDSDAXZNQE-LJQANCHMSA-N 0 0 419.319 4.967 50 0 HJAARN Cc1ccc([C@H]2C(=O)N(C3CCCCCC3)CC(=O)N2CCc2ccccc2)cc1 ZINC000003039173 568846098 /nfs/dbraw/zinc/84/60/98/568846098.db2.gz NIGRUJFXPOMEOF-VWLOTQADSA-N 0 0 404.554 4.672 50 0 HJAARN O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000012540957 568848077 /nfs/dbraw/zinc/84/80/77/568848077.db2.gz ZRPDKEPPDCLXJB-FQEVSTJZSA-N 0 0 419.506 4.873 50 0 HJAARN CSCC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000012542758 568848949 /nfs/dbraw/zinc/84/89/49/568848949.db2.gz IFBOYAFSTRYIPG-ACJLOTCBSA-N 0 0 403.935 4.594 50 0 HJAARN CCCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nc2c3ccccc3oc2c1=O ZINC000057523177 568850425 /nfs/dbraw/zinc/85/04/25/568850425.db2.gz VJAITPAYYPTLOZ-UHFFFAOYSA-N 0 0 421.522 4.900 50 0 HJAARN CCc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 ZINC000003059358 568852062 /nfs/dbraw/zinc/85/20/62/568852062.db2.gz XFVFPAYAEAOECT-UHFFFAOYSA-N 0 0 421.547 4.740 50 0 HJAARN COc1ccc(-n2cnn(CN(C)[C@@H](C)c3nc4ccccc4s3)c2=S)cc1 ZINC000012551309 568853487 /nfs/dbraw/zinc/85/34/87/568853487.db2.gz NHGBHZKUGGTQGA-AWEZNQCLSA-N 0 0 411.556 4.672 50 0 HJAARN Cc1cc(NC(=O)[C@@H](C)SCC(=O)N(Cc2ccccc2)c2cccc(C)c2)no1 ZINC000012552984 568854199 /nfs/dbraw/zinc/85/41/99/568854199.db2.gz CIVGHDHTDNYBIC-GOSISDBHSA-N 0 0 423.538 4.585 50 0 HJAARN CCOc1ccc(-c2nc(CN3c4ccccc4[C@H](C(N)=O)C[C@H]3C)cs2)cc1 ZINC000230194526 568854562 /nfs/dbraw/zinc/85/45/62/568854562.db2.gz JKENDNPRRLVPKG-FOIQADDNSA-N 0 0 407.539 4.577 50 0 HJAARN COCc1c(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)sc2cccc(F)c21 ZINC000012556832 568856047 /nfs/dbraw/zinc/85/60/47/568856047.db2.gz WNQGSHOHNPTEIT-CQSZACIVSA-N 0 0 409.486 4.864 50 0 HJAARN Cc1csc(SCC(=O)c2cc(C)n(Cc3ccc4c(c3)OCO4)c2C)n1 ZINC000003406273 568858125 /nfs/dbraw/zinc/85/81/25/568858125.db2.gz LAMGUAGHUFJSIZ-UHFFFAOYSA-N 0 0 400.525 4.622 50 0 HJAARN CCOc1ccc(C(=O)Cc2cc(OC)c(OC)cc2C(=O)c2ccccc2F)cc1 ZINC000003190111 568860605 /nfs/dbraw/zinc/86/06/05/568860605.db2.gz AIHFUDHZLCEOLC-UHFFFAOYSA-N 0 0 422.452 4.898 50 0 HJAARN C[C@@H](O)CNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc21 ZINC000003217589 568863003 /nfs/dbraw/zinc/86/30/03/568863003.db2.gz PDSGZAINQNGJOU-SNVBAGLBSA-N 0 0 409.700 4.973 50 0 HJAARN O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1ccc2c(c1)[C@@H]1CCCCC[C@@H]1N2 ZINC000057841198 568863426 /nfs/dbraw/zinc/86/34/26/568863426.db2.gz QLELVRFKHQWRAB-PXNSSMCTSA-N 0 0 416.525 4.726 50 0 HJAARN COc1cc(NCC(=O)N2CC[C@H](C)Sc3ccccc32)c(OC)cc1Cl ZINC000057856286 568863557 /nfs/dbraw/zinc/86/35/57/568863557.db2.gz WGYRPSBVHJPHRL-ZDUSSCGKSA-N 0 0 406.935 4.687 50 0 HJAARN CCOc1ccc([C@@H]2c3cccn3CCN2C(=S)Nc2cccc(OC)c2)cc1 ZINC000003582733 568863749 /nfs/dbraw/zinc/86/37/49/568863749.db2.gz PTXOMAAXXBCOSP-JOCHJYFZSA-N 0 0 407.539 4.697 50 0 HJAARN CC(C)Cn1c(SCC(=O)N(c2ccccc2)C(C)C)nc2ccccc2c1=O ZINC000003236891 568865805 /nfs/dbraw/zinc/86/58/05/568865805.db2.gz FNGSIULVSOQAGJ-UHFFFAOYSA-N 0 0 409.555 4.586 50 0 HJAARN Cc1ccccc1-n1c(SCC(=O)N(C)C2CCCCC2)nnc1-c1cccnc1 ZINC000003239990 568866221 /nfs/dbraw/zinc/86/62/21/568866221.db2.gz FDJOJOAHKLXRQV-UHFFFAOYSA-N 0 0 421.570 4.521 50 0 HJAARN O=C(COC(=O)CCc1nc2ccccc2s1)Nc1cccc(Cl)c1Cl ZINC000003240298 568866245 /nfs/dbraw/zinc/86/62/45/568866245.db2.gz QEBSELILXMTBRT-UHFFFAOYSA-N 0 0 409.294 4.718 50 0 HJAARN Cc1cc(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)c2ccccc2n1 ZINC000003245450 568867137 /nfs/dbraw/zinc/86/71/37/568867137.db2.gz MRHMGIMWZLTREA-UHFFFAOYSA-N 0 0 402.422 4.653 50 0 HJAARN O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)c1ccc(OC(F)F)cc1 ZINC000003254979 568868347 /nfs/dbraw/zinc/86/83/47/568868347.db2.gz GQLNTFCZMVPYMT-UHFFFAOYSA-N 0 0 410.372 4.559 50 0 HJAARN O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1ncc(Cl)cc1Cl ZINC000003256914 568868550 /nfs/dbraw/zinc/86/85/50/568868550.db2.gz QNJUZFVBNMEUFA-UHFFFAOYSA-N 0 0 416.264 4.928 50 0 HJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000012594216 568868586 /nfs/dbraw/zinc/86/85/86/568868586.db2.gz QYUWIRLUUXAHPA-NHCUHLMSSA-N 0 0 417.534 4.924 50 0 HJAARN O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)Nc1ncc(Cl)cc1Cl ZINC000003260629 568869274 /nfs/dbraw/zinc/86/92/74/568869274.db2.gz ZJZSSWRKSANEDC-UHFFFAOYSA-N 0 0 411.260 4.521 50 0 HJAARN O=C(COC(=O)c1ccc2ccccc2n1)N(Cc1ccccc1)Cc1ccccc1 ZINC000003264775 568869841 /nfs/dbraw/zinc/86/98/41/568869841.db2.gz UQLIIZNGNMXKMB-UHFFFAOYSA-N 0 0 410.473 4.621 50 0 HJAARN O=C1c2ccccc2N[C@@H](c2cc(Cl)c3c(c2)OCCCO3)N1CC(F)(F)F ZINC000012600508 568869915 /nfs/dbraw/zinc/86/99/15/568869915.db2.gz KKPQMTFOTANZMX-QGZVFWFLSA-N 0 0 412.795 4.630 50 0 HJAARN O=C(COC(=O)c1ccccc1-c1nc2ccccc2s1)Nc1ccc(Cl)cn1 ZINC000003266089 568870027 /nfs/dbraw/zinc/87/00/27/568870027.db2.gz XUFAPTZNSWWPCT-UHFFFAOYSA-N 0 0 423.881 4.807 50 0 HJAARN CC(=O)Nc1ccc2c(CSc3nccn3-c3ccccc3C)cc(=O)oc2c1 ZINC000012603343 568870437 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O=c1c2ccccc2nc2n1[C@@H](CSc1ccc(Br)cc1)CS2 ZINC000001405454 568927902 /nfs/dbraw/zinc/92/79/02/568927902.db2.gz QUCWJPYUVGUGTO-LBPRGKRZSA-N 0 0 405.342 4.598 50 0 HJAARN CSc1ccccc1NC(=O)CN(C)C(=O)c1cc2cc(Cl)ccc2nc1C ZINC000031551551 568927957 /nfs/dbraw/zinc/92/79/57/568927957.db2.gz WPUTUXZLBSPSOR-UHFFFAOYSA-N 0 0 413.930 4.629 50 0 HJAARN COc1ccc(CN(C(=O)[C@@H](C)Oc2ccc(F)cc2Br)C2CC2)cc1 ZINC000031705529 568929380 /nfs/dbraw/zinc/92/93/80/568929380.db2.gz GNAVNEDMFKZMAU-CYBMUJFWSA-N 0 0 422.294 4.555 50 0 HJAARN CC(C)OCCCNC(=O)c1cccnc1Sc1ccc(Br)cc1 ZINC000012741945 568929782 /nfs/dbraw/zinc/92/97/82/568929782.db2.gz ONSQVXJYFVXNIE-UHFFFAOYSA-N 0 0 409.349 4.540 50 0 HJAARN CC(=O)N1CCc2cc(C(=O)[C@@H](C)Sc3nc4ccccc4n3C(F)F)ccc21 ZINC000031782050 568931063 /nfs/dbraw/zinc/93/10/63/568931063.db2.gz PAMUXXLBNSOPDU-GFCCVEGCSA-N 0 0 415.465 4.704 50 0 HJAARN CCOc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1OCC ZINC000004000170 568932032 /nfs/dbraw/zinc/93/20/32/568932032.db2.gz STBPUGADWSWTMA-FXXWNWNUSA-N 0 0 420.553 4.820 50 0 biogenic HJAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(C)c(F)c3)C2)c2ccccc12 ZINC000012747626 568933556 /nfs/dbraw/zinc/93/35/56/568933556.db2.gz PRKXXRWUFLCLIO-KRWDZBQOSA-N 0 0 420.484 4.787 50 0 HJAARN Cc1n[nH]c(=O)c(C(=O)Nc2ccc(Oc3cc(Cl)ccc3Cl)c(F)c2)c1C ZINC000084052082 568933736 /nfs/dbraw/zinc/93/37/36/568933736.db2.gz OYKPCVVAPPBMFQ-UHFFFAOYSA-N 0 0 422.243 4.877 50 0 HJAARN O=C(CNC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc(C2CCCCC2)cc1 ZINC000004844901 568934457 /nfs/dbraw/zinc/93/44/57/568934457.db2.gz DKXLLRCJNLTHTB-UHFFFAOYSA-N 0 0 413.901 4.544 50 0 HJAARN O=C1C[C@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CN1c1ccccc1F ZINC000004033444 568935034 /nfs/dbraw/zinc/93/50/34/568935034.db2.gz CGHGKJPRZBHKFY-KRWDZBQOSA-N 0 0 403.432 4.883 50 0 HJAARN COc1ccc(OC)c(N2C[C@@H](c3nc4ccccc4n3CCC(C)C)CC2=O)c1 ZINC000004033560 568935280 /nfs/dbraw/zinc/93/52/80/568935280.db2.gz IZSQFKFGNVPKEU-KRWDZBQOSA-N 0 0 407.514 4.620 50 0 HJAARN Cc1cc([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c(C)o1 ZINC000084081618 568936209 /nfs/dbraw/zinc/93/62/09/568936209.db2.gz GWHIXRGSKCXAHQ-XIKOKIGWSA-N 0 0 409.313 4.685 50 0 HJAARN Cc1ccc(CNC(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)o1 ZINC000004057416 568936794 /nfs/dbraw/zinc/93/67/94/568936794.db2.gz AYGOPVWFLVEGFG-UHFFFAOYSA-N 0 0 417.509 4.830 50 0 HJAARN CC(C)[C@H](NC(=O)N[C@@H](C)c1ccc(F)c(F)c1)c1ccc2c(c1)OCCCO2 ZINC000012749595 568937564 /nfs/dbraw/zinc/93/75/64/568937564.db2.gz CCZIMTVVAKDYSA-QKKBWIMNSA-N 0 0 404.457 4.884 50 0 HJAARN O=C1OCC2=C1[C@H](c1cccc(Cl)c1)CC(=O)N2c1cccc(C(F)(F)F)c1 ZINC000001429579 568939827 /nfs/dbraw/zinc/93/98/27/568939827.db2.gz VVGOVFSJKISCDN-HNNXBMFYSA-N 0 0 407.775 4.690 50 0 HJAARN COc1ccc(CNC(=O)Cc2c(C)c3cc4c(C)c(C)oc4c(C)c3oc2=O)cc1 ZINC000004084584 568939965 /nfs/dbraw/zinc/93/99/65/568939965.db2.gz VQUJZDQHKASIAB-UHFFFAOYSA-N 0 0 419.477 4.640 50 0 biogenic HJAARN Cc1nn2c(CN(C(=O)c3ccc(F)cc3)c3ccccc3)nnc2c2ccccc12 ZINC000001431618 568940316 /nfs/dbraw/zinc/94/03/16/568940316.db2.gz XANGCOYNJTYRSF-UHFFFAOYSA-N 0 0 411.440 4.572 50 0 HJAARN CC(C)Sc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1Cc1ccccc1 ZINC000004087471 568941057 /nfs/dbraw/zinc/94/10/57/568941057.db2.gz FJUUULOEJMXACG-UHFFFAOYSA-N 0 0 424.614 4.660 50 0 HJAARN CCOc1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1OCC ZINC000004088018 568941168 /nfs/dbraw/zinc/94/11/68/568941168.db2.gz SRVZGRWAIRXEQI-UHFFFAOYSA-N 0 0 415.540 4.880 50 0 HJAARN Cc1cc(Br)cc(C)c1NC(=S)NC(=O)c1ccc(OC(C)C)cc1 ZINC000004089663 568941672 /nfs/dbraw/zinc/94/16/72/568941672.db2.gz ZJKKGLPQMYJCSH-UHFFFAOYSA-N 0 0 421.360 4.980 50 0 HJAARN COc1cc(NC(=O)Cc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)cc(OC)c1 ZINC000004089767 568941856 /nfs/dbraw/zinc/94/18/56/568941856.db2.gz FLOPCVBIWSPIGP-UHFFFAOYSA-N 0 0 421.449 4.663 50 0 biogenic HJAARN COc1ccc(N2C(=O)C[C@@]2(/C=C/c2ccccc2)C(=O)Nc2ccccc2C)cc1 ZINC000004090726 568942237 /nfs/dbraw/zinc/94/22/37/568942237.db2.gz CNNFNPMISGSZCB-ZOGILVBSSA-N 0 0 412.489 4.831 50 0 biogenic HJAARN COc1ccc(N2C(=O)C[C@]2(/C=C/c2ccccc2)C(=O)Nc2ccccc2C)cc1 ZINC000004090728 568942252 /nfs/dbraw/zinc/94/22/52/568942252.db2.gz CNNFNPMISGSZCB-ZMNABIIRSA-N 0 0 412.489 4.831 50 0 biogenic HJAARN COC(=O)c1ccc(COc2ccc([C@@H]3O[C@H](C)CC(C)(C)O3)cc2OC)cc1 ZINC000004124553 568945147 /nfs/dbraw/zinc/94/51/47/568945147.db2.gz BOSRAXUTTJUQRJ-IVZQSRNASA-N 0 0 400.471 4.663 50 0 HJAARN CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1c[nH]c2ccccc21 ZINC000004138534 568945662 /nfs/dbraw/zinc/94/56/62/568945662.db2.gz BJQJBRBQAJLSQO-UHFFFAOYSA-N 0 0 405.527 4.794 50 0 HJAARN CCOC(=O)[C@H](C)Sc1nnc(-c2ccccc2Cl)n1-c1ccccc1C ZINC000004145664 568946449 /nfs/dbraw/zinc/94/64/49/568946449.db2.gz NSSBWHLEZMQCGS-AWEZNQCLSA-N 0 0 401.919 4.940 50 0 HJAARN CC(=O)c1ccc(O[C@H](C)C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000012762791 568946585 /nfs/dbraw/zinc/94/65/85/568946585.db2.gz LEIFJQIVSBTSQI-SJLPKXTDSA-N 0 0 408.523 4.672 50 0 HJAARN O=C(Nc1ncc(Cc2ccccc2)s1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000012763249 568946735 /nfs/dbraw/zinc/94/67/35/568946735.db2.gz ZPJTZYOFTSNAOY-UHFFFAOYSA-N 0 0 418.522 4.730 50 0 HJAARN O=C(Nc1cccc(C(=O)Nc2ncccc2OCC2CCCCC2)c1)NC1CC1 ZINC000084374433 568948314 /nfs/dbraw/zinc/94/83/14/568948314.db2.gz AYHYSDXWEUICRG-UHFFFAOYSA-N 0 0 408.502 4.577 50 0 HJAARN Cc1ccccc1-n1nc2c(c1NC(=O)c1ccccc1Br)CSC2 ZINC000004175957 568948622 /nfs/dbraw/zinc/94/86/22/568948622.db2.gz NWHHQWOELWHQTF-UHFFFAOYSA-N 0 0 414.328 4.942 50 0 HJAARN O=C(Nc1nc2c(s1)CCCC2)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000004248116 568953777 /nfs/dbraw/zinc/95/37/77/568953777.db2.gz YKIQVKFSDXTAAR-LJQANCHMSA-N 0 0 404.491 4.728 50 0 HJAARN C[C@H](C[C@H](O)c1ccccc1)NC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000084637067 568953909 /nfs/dbraw/zinc/95/39/09/568953909.db2.gz GXAWVBNAJRJYGA-KUHUBIRLSA-N 0 0 400.931 4.634 50 0 HJAARN COc1ccc(OC)c(-c2csc(NC(=O)Cn3c(C)cc4ccccc43)n2)c1 ZINC000015608433 568954492 /nfs/dbraw/zinc/95/44/92/568954492.db2.gz PEKNYKPULKGGRT-UHFFFAOYSA-N 0 0 407.495 4.729 50 0 HJAARN COc1ccc(-c2cn3nc(SCC(=O)Nc4cc(C)cc(C)c4)ccc3n2)cc1 ZINC000004251203 568955143 /nfs/dbraw/zinc/95/51/43/568955143.db2.gz MPNHPTCEVVIDQN-UHFFFAOYSA-N 0 0 418.522 4.753 50 0 HJAARN CC(C)(C)c1ccc(OCCCC(=O)Nc2cccc(-c3nnc4n3CCC4)c2)cc1 ZINC000012779998 568956898 /nfs/dbraw/zinc/95/68/98/568956898.db2.gz QVIJYPBTKHJLFY-UHFFFAOYSA-N 0 0 418.541 4.987 50 0 HJAARN C[C@H](NC(=O)CCn1cnc2scc(-c3ccc(F)cc3)c2c1=O)c1ccccc1 ZINC000012782347 568958629 /nfs/dbraw/zinc/95/86/29/568958629.db2.gz JBXUDSBBBROZMR-HNNXBMFYSA-N 0 0 421.497 4.532 50 0 HJAARN COc1cccc(OC)c1C(=O)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000004284298 568959000 /nfs/dbraw/zinc/95/90/00/568959000.db2.gz JJARAYKNNFOREV-UHFFFAOYSA-N 0 0 406.463 4.938 50 0 HJAARN CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(F)c2)o1 ZINC000004296104 568959927 /nfs/dbraw/zinc/95/99/27/568959927.db2.gz YLGJXMOBLCCNBQ-AWEZNQCLSA-N 0 0 413.540 4.820 50 0 HJAARN COC(=O)c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 ZINC000004306409 568960672 /nfs/dbraw/zinc/96/06/72/568960672.db2.gz PTNBXHSCYUAXFG-RXVVDRJESA-N 0 0 408.841 4.962 50 0 HJAARN CCCCn1c(Cn2ccnc2C)nc2cc(NC(=O)c3ccc(OC)cc3)ccc21 ZINC000015669163 568960758 /nfs/dbraw/zinc/96/07/58/568960758.db2.gz JJZAXQUECDGJGI-UHFFFAOYSA-N 0 0 417.513 4.651 50 0 HJAARN O=C(NCCSc1nc(-c2ccc(F)cc2)c[nH]1)c1cccc(C(F)(F)F)c1 ZINC000004315708 568961685 /nfs/dbraw/zinc/96/16/85/568961685.db2.gz QSLIPAPCEHZNGB-UHFFFAOYSA-N 0 0 409.408 4.757 50 0 HJAARN CCOc1ccc(C(=O)NCCSc2nc(-c3ccc(Cl)cc3)c[nH]2)cc1 ZINC000004315781 568961722 /nfs/dbraw/zinc/96/17/22/568961722.db2.gz MDMBTWKDBUTIKC-UHFFFAOYSA-N 0 0 401.919 4.651 50 0 HJAARN Cc1ccc(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccccc2)cc1C ZINC000004315707 568961763 /nfs/dbraw/zinc/96/17/63/568961763.db2.gz WTCLBILNOXHWDE-UHFFFAOYSA-N 0 0 401.487 4.915 50 0 HJAARN COc1ccc([C@H](NC(=O)c2ccccc2SCC(C)=O)c2ccccc2)cc1 ZINC000007984749 568964153 /nfs/dbraw/zinc/96/41/53/568964153.db2.gz QBRNJIMEEXTHLH-HSZRJFAPSA-N 0 0 405.519 4.896 50 0 HJAARN Cc1noc(C)c1COc1ccc(CC(=O)N2CC=C(c3ccccc3)CC2)cc1 ZINC000007988203 568965662 /nfs/dbraw/zinc/96/56/62/568965662.db2.gz ANGPOMVBCNMLJW-UHFFFAOYSA-N 0 0 402.494 4.729 50 0 HJAARN Cc1ccc(-c2nc(CN3C(=O)N[C@](C)(c4ccc(Cl)cc4)C3=O)cs2)cc1 ZINC000007989139 568966368 /nfs/dbraw/zinc/96/63/68/568966368.db2.gz QZFRLTCWJFZCMQ-OAQYLSRUSA-N 0 0 411.914 4.739 50 0 HJAARN CCOc1ccc(OCC(=O)Nc2scc(-c3cccs3)c2C(=O)OC)cc1 ZINC000007996280 568967421 /nfs/dbraw/zinc/96/74/21/568967421.db2.gz UOUZAOWMEMVQCA-UHFFFAOYSA-N 0 0 417.508 4.679 50 0 HJAARN COc1ccc(OC)c(NC(=O)c2c(C)nn(-c3ccc(C)cc3)c2-n2cccc2)c1 ZINC000015681397 568967927 /nfs/dbraw/zinc/96/79/27/568967927.db2.gz MRTFDLYCSZGBAE-UHFFFAOYSA-N 0 0 416.481 4.549 50 0 HJAARN CSc1ccc(CCNC(=O)c2cnn(-c3ccc(C)cc3)c2-n2cccc2)cc1 ZINC000015681305 568967933 /nfs/dbraw/zinc/96/79/33/568967933.db2.gz LTIOPGBKVCJGTR-UHFFFAOYSA-N 0 0 416.550 4.666 50 0 HJAARN CC1(C)Cc2cccc(OCC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)c2O1 ZINC000008072449 568971613 /nfs/dbraw/zinc/97/16/13/568971613.db2.gz ADQQRIMSCDRPLA-QGZVFWFLSA-N 0 0 408.523 4.752 50 0 HJAARN CC1(C)Cc2cccc(OCC(=O)N3CCC[C@H]3c3nc4ccccc4s3)c2O1 ZINC000008072450 568971771 /nfs/dbraw/zinc/97/17/71/568971771.db2.gz ADQQRIMSCDRPLA-KRWDZBQOSA-N 0 0 408.523 4.752 50 0 HJAARN COc1ccc([C@H]2CCCCCN2C(=O)CCNC(=O)c2ccc(Cl)cc2)cc1 ZINC000008074459 568972094 /nfs/dbraw/zinc/97/20/94/568972094.db2.gz UZVHANOOPZIMDV-OAQYLSRUSA-N 0 0 414.933 4.612 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000008075489 568972300 /nfs/dbraw/zinc/97/23/00/568972300.db2.gz UXCQUDTYVBBJSE-UHFFFAOYSA-N 0 0 422.912 4.655 50 0 HJAARN Cc1sc(CC(=O)NCc2ccccc2)nc1-c1ccc(Br)cc1 ZINC000008103302 568973857 /nfs/dbraw/zinc/97/38/57/568973857.db2.gz UGPQCQWLYRQKNQ-UHFFFAOYSA-N 0 0 401.329 4.740 50 0 HJAARN CCCOc1ccccc1OCC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008103350 568973916 /nfs/dbraw/zinc/97/39/16/568973916.db2.gz UFVVUKAGJOLZTR-QGZVFWFLSA-N 0 0 410.539 4.870 50 0 HJAARN C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N1c2ccccc2C[C@H]1C ZINC000008131680 568975425 /nfs/dbraw/zinc/97/54/25/568975425.db2.gz LCIDZUAAPDLNCX-CVEARBPZSA-N 0 0 404.539 4.603 50 0 HJAARN C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000008131682 568975483 /nfs/dbraw/zinc/97/54/83/568975483.db2.gz LCIDZUAAPDLNCX-HOTGVXAUSA-N 0 0 404.539 4.603 50 0 HJAARN Cc1noc(C)c1COc1ccc(CC(=O)N[C@H]2CCSc3ccccc32)cc1 ZINC000008133085 568976189 /nfs/dbraw/zinc/97/61/89/568976189.db2.gz CVXZSRPQSQAGMS-NRFANRHFSA-N 0 0 408.523 4.766 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCc1ccc(Cl)cc1Cl ZINC000008134874 568976837 /nfs/dbraw/zinc/97/68/37/568976837.db2.gz PVYNYKUXOMCCLI-UHFFFAOYSA-N 0 0 402.325 4.697 50 0 HJAARN O=C(CSc1nccn1Cc1ccccc1)N1CCC(Cc2ccccc2)CC1 ZINC000008134769 568976849 /nfs/dbraw/zinc/97/68/49/568976849.db2.gz QTBMTLHTKNQILM-UHFFFAOYSA-N 0 0 405.567 4.505 50 0 HJAARN Cc1ccc(Nc2ncnc3sccc32)cc1S(=O)(=O)Nc1ccccc1F ZINC000008163185 568979361 /nfs/dbraw/zinc/97/93/61/568979361.db2.gz RYENBLRNRPRODI-UHFFFAOYSA-N 0 0 414.487 4.683 50 0 HJAARN COc1ccc(CN(C)C(=O)c2ccc(Oc3ccccc3)cc2)c(OC)c1OC ZINC000012807445 568980102 /nfs/dbraw/zinc/98/01/02/568980102.db2.gz FHRIZLNVNLDXQB-UHFFFAOYSA-N 0 0 407.466 4.777 50 0 HJAARN Cc1nc(-c2cccc(NC(=O)CCc3nc(-c4ccc(F)cc4)no3)c2)cs1 ZINC000008186162 568980491 /nfs/dbraw/zinc/98/04/91/568980491.db2.gz RWDHKXPNJBRZLW-UHFFFAOYSA-N 0 0 408.458 4.879 50 0 HJAARN Cc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 ZINC000006046509 568981353 /nfs/dbraw/zinc/98/13/53/568981353.db2.gz DRHAETFTFWLWIK-GOSISDBHSA-N 0 0 403.404 4.589 50 0 HJAARN FC(F)(F)c1nc2ccccc2c(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1 ZINC000008230004 568983551 /nfs/dbraw/zinc/98/35/51/568983551.db2.gz VKADYIJNQVXSQG-MRXNPFEDSA-N 0 0 401.388 4.761 50 0 HJAARN C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000008230568 568983702 /nfs/dbraw/zinc/98/37/02/568983702.db2.gz DZVBWVGVISLWPC-IIBYNOLFSA-N 0 0 418.566 4.819 50 0 HJAARN O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)N1CCC(Cc2ccccc2)CC1 ZINC000006048696 568983767 /nfs/dbraw/zinc/98/37/67/568983767.db2.gz XHTNWFHRHOSSQI-UHFFFAOYSA-N 0 0 423.528 4.662 50 0 HJAARN Cc1ccc(C)c(NC(=O)[C@H](Sc2nnnn2C2CCCC2)c2ccccc2)c1 ZINC000008230704 568983930 /nfs/dbraw/zinc/98/39/30/568983930.db2.gz PCKZBRIESFMQQO-HXUWFJFHSA-N 0 0 407.543 4.877 50 0 HJAARN CCc1cc(OC)c(OC)cc1[C@@H](Cc1ccccc1)NC(=O)Cc1ccccc1 ZINC000085406501 568985589 /nfs/dbraw/zinc/98/55/89/568985589.db2.gz YVHSCHVOJVDGFY-HSZRJFAPSA-N 0 0 403.522 4.909 50 0 HJAARN COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCCC2)c(OC)c1 ZINC000085412382 568986336 /nfs/dbraw/zinc/98/63/36/568986336.db2.gz WSPHPFFTYDMEGB-LJQANCHMSA-N 0 0 401.532 4.975 50 0 HJAARN CCOc1ccc(N[C@@H](NC(=O)c2ccc(Cl)cc2)C(=O)c2ccccc2)cc1 ZINC000001450991 568986400 /nfs/dbraw/zinc/98/64/00/568986400.db2.gz FFWPABULZGFBMT-QFIPXVFZSA-N 0 0 408.885 4.790 50 0 HJAARN COc1ccc(-c2cc([C@H]3CCCCCN3C(=O)CSc3ccncc3)on2)cc1 ZINC000012088735 568987883 /nfs/dbraw/zinc/98/78/83/568987883.db2.gz SMUQGMAAJHNXFT-OAQYLSRUSA-N 0 0 423.538 4.981 50 0 HJAARN Cc1ccc(-c2nnc(SCc3ccccc3C(N)=O)n2-c2ccc(F)cc2)cc1 ZINC000085421431 568987890 /nfs/dbraw/zinc/98/78/90/568987890.db2.gz RKSAPWCIXQJEDI-UHFFFAOYSA-N 0 0 418.497 4.773 50 0 HJAARN COc1cc(CN(C)[C@H](C)C(=O)Nc2ccccc2)ccc1OCc1ccccc1 ZINC000008310273 568988573 /nfs/dbraw/zinc/98/85/73/568988573.db2.gz KTEKEKGGWIYASY-LJQANCHMSA-N 0 0 404.510 4.733 50 0 HJAARN Cc1cc(Cl)ccc1NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008310427 568988710 /nfs/dbraw/zinc/98/87/10/568988710.db2.gz DDJYPJANQPKTHH-IBGZPJMESA-N 0 0 400.906 4.585 50 0 HJAARN C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)NC[C@@H]1CCCO1 ZINC000008312064 568988932 /nfs/dbraw/zinc/98/89/32/568988932.db2.gz AIJWXHLVZOQZDO-APWZRJJASA-N 0 0 408.523 4.784 50 0 HJAARN Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)Nc1ccccc1SC(F)F ZINC000012815753 568989544 /nfs/dbraw/zinc/98/95/44/568989544.db2.gz CHRGVTWUFCFXRQ-UHFFFAOYSA-N 0 0 418.421 4.760 50 0 HJAARN 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400.592 4.532 50 0 HJAARN COc1ccc(C(C)(C)C)cc1NC(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000006560380 569065792 /nfs/dbraw/zinc/06/57/92/569065792.db2.gz BKSMJFMJTPSWTA-UHFFFAOYSA-N 0 0 409.313 4.668 50 0 HJAARN Cc1ccc(C(=O)CSc2nnc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)s2)c(C)c1 ZINC000035924451 569066149 /nfs/dbraw/zinc/06/61/49/569066149.db2.gz GAYMFCHEAKUYJA-ZWKOTPCHSA-N 0 0 423.563 4.872 50 0 HJAARN CCOC(=O)NC(=O)CSc1nc(-c2ccc(C)c(C)c2)cn1-c1ccccc1 ZINC000006566968 569066255 /nfs/dbraw/zinc/06/62/55/569066255.db2.gz CCCUZMSQNUWEGV-UHFFFAOYSA-N 0 0 409.511 4.521 50 0 HJAARN COCCCN(C(=O)c1cc2ccccc2o1)C1(C(=O)Nc2ccccc2)CCCC1 ZINC000006566368 569066312 /nfs/dbraw/zinc/06/63/12/569066312.db2.gz WKQXCESSYKXZHW-UHFFFAOYSA-N 0 0 420.509 4.863 50 0 HJAARN O=C(C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccccc1)NC1CCCCCCC1 ZINC000006586284 569067691 /nfs/dbraw/zinc/06/76/91/569067691.db2.gz JTRVOHDTOFLPDF-JOCHJYFZSA-N 0 0 406.526 4.743 50 0 HJAARN Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)c1cncc(Br)c1 ZINC000006590673 569068643 /nfs/dbraw/zinc/06/86/43/569068643.db2.gz YULPSOBLYSMXFA-UHFFFAOYSA-N 0 0 407.271 4.720 50 0 HJAARN CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)c1 ZINC000006596061 569069198 /nfs/dbraw/zinc/06/91/98/569069198.db2.gz GMTAVZRWGGDTOB-JOCHJYFZSA-N 0 0 415.445 4.839 50 0 HJAARN CC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000035970790 569069343 /nfs/dbraw/zinc/06/93/43/569069343.db2.gz ACNHCNCQGVCCOZ-QFIPXVFZSA-N 0 0 405.498 4.501 50 0 HJAARN COc1cccc(Oc2c(CN(C(=O)C3CC3)C3CC3)c(C)nn2-c2ccccc2)c1 ZINC000035972789 569069572 /nfs/dbraw/zinc/06/95/72/569069572.db2.gz PTFMLZRUTJSVBZ-UHFFFAOYSA-N 0 0 417.509 4.883 50 0 HJAARN Cc1c(Cl)cccc1-n1ccn2c(SCc3cccc(Cl)c3)nnc2c1=O ZINC000064593748 569069585 /nfs/dbraw/zinc/06/95/85/569069585.db2.gz WVGATFZHQKKGBP-UHFFFAOYSA-N 0 0 417.321 4.788 50 0 HJAARN CCC(=O)N(CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000035975614 569069680 /nfs/dbraw/zinc/06/96/80/569069680.db2.gz DDJOULSPMIJSDP-UHFFFAOYSA-N 0 0 407.514 4.612 50 0 HJAARN Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccnc(Cc2ccccc2)n1 ZINC000089562741 569070330 /nfs/dbraw/zinc/07/03/30/569070330.db2.gz UCEMKTJQAILPJZ-UHFFFAOYSA-N 0 0 404.470 4.891 50 0 HJAARN COc1ccccc1-c1c(C)oc2c(ccc3c2CN(Cc2ccncc2)CO3)c1=O ZINC000054313281 569070665 /nfs/dbraw/zinc/07/06/65/569070665.db2.gz VQIRTRNOIVMFOG-UHFFFAOYSA-N 0 0 414.461 4.524 50 0 HJAARN COc1ccc(-c2c(C)oc3c(ccc4c3CN(Cc3ccncc3)CO4)c2=O)cc1 ZINC000054313320 569070750 /nfs/dbraw/zinc/07/07/50/569070750.db2.gz MIWSYGVWLQJVDZ-UHFFFAOYSA-N 0 0 414.461 4.524 50 0 biogenic HJAARN O=C(c1cccc(N2CCCN(Cc3ccccc3)C2=O)c1)N1CCc2ccccc21 ZINC000064605404 569071041 /nfs/dbraw/zinc/07/10/41/569071041.db2.gz JDIMPEXZFHRZKW-UHFFFAOYSA-N 0 0 411.505 4.722 50 0 HJAARN Cc1ccc(-c2noc(-c3cccc(S(=O)(=O)Nc4ccc(F)cc4)c3)n2)cc1 ZINC000064610883 569071305 /nfs/dbraw/zinc/07/13/05/569071305.db2.gz GLONBQGYFBAVEU-UHFFFAOYSA-N 0 0 409.442 4.652 50 0 HJAARN CCCN(CC1CC1)C(=O)COC(=O)c1oc2ccccc2c1COc1ccccc1 ZINC000006607175 569071614 /nfs/dbraw/zinc/07/16/14/569071614.db2.gz PTSKMQVLOIRNOG-UHFFFAOYSA-N 0 0 421.493 4.817 50 0 HJAARN CCN(C(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2)C1CCCCC1 ZINC000426563160 569073525 /nfs/dbraw/zinc/07/35/25/569073525.db2.gz DWLYYNSPGPZVFB-UHFFFAOYSA-N 0 0 401.576 4.706 50 0 HJAARN O=C(COC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(-c2ccccc2)cc1 ZINC000006610769 569074214 /nfs/dbraw/zinc/07/42/14/569074214.db2.gz NAXNZWSCKFOMQD-UHFFFAOYSA-N 0 0 413.473 4.516 50 0 HJAARN Cc1cccc(-c2ncc(C(=O)NCc3ccco3)c(N(C)C3CCCCC3)n2)c1 ZINC000035988712 569074343 /nfs/dbraw/zinc/07/43/43/569074343.db2.gz LYPXEDQTYVDRCH-UHFFFAOYSA-N 0 0 404.514 4.744 50 0 HJAARN Cc1cccc(-c2ncc(C(=O)NCc3cccnc3)c(N(C)C3CCCCC3)n2)c1 ZINC000035988724 569074367 /nfs/dbraw/zinc/07/43/67/569074367.db2.gz SUWJDOBBVPXVBI-UHFFFAOYSA-N 0 0 415.541 4.546 50 0 HJAARN COc1ccc(OC)c(-c2cc(CN(Cc3ccco3)C(=O)c3cccs3)no2)c1 ZINC000036011848 569075767 /nfs/dbraw/zinc/07/57/67/569075767.db2.gz PYTJLWCGAQSWIX-UHFFFAOYSA-N 0 0 424.478 4.856 50 0 HJAARN CC(C)N(CCC(=O)NC1CC1)c1nc(-c2ccccc2Cl)nc2ccccc21 ZINC000036008177 569076295 /nfs/dbraw/zinc/07/62/95/569076295.db2.gz HSZLZLMOLGQLQI-UHFFFAOYSA-N 0 0 408.933 4.834 50 0 HJAARN COc1ccc(C2=NO[C@H](CN(Cc3cccc(Cl)c3)C(=O)CC(C)C)C2)cc1 ZINC000036014801 569076446 /nfs/dbraw/zinc/07/64/46/569076446.db2.gz NTILULQIIRGOAW-NRFANRHFSA-N 0 0 414.933 4.917 50 0 HJAARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2ccccc2F)cc1 ZINC000064656768 569076894 /nfs/dbraw/zinc/07/68/94/569076894.db2.gz RZUZUONBNRRJAX-OAHLLOKOSA-N 0 0 401.484 4.503 50 0 HJAARN Cc1cccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2ccc(F)cc2)c1 ZINC000064657019 569077126 /nfs/dbraw/zinc/07/71/26/569077126.db2.gz BTPHOTLETXSTRW-MRXNPFEDSA-N 0 0 401.484 4.503 50 0 HJAARN Cc1ccc(-c2cc(CN(Cc3ccco3)S(=O)(=O)c3ccccc3)no2)c(C)c1 ZINC000036012860 569077407 /nfs/dbraw/zinc/07/74/07/569077407.db2.gz FKLAURWVLJMYBI-UHFFFAOYSA-N 0 0 422.506 4.943 50 0 HJAARN O=C(C[C@H]1COc2ccccc2N1Cc1ccc(F)cc1)NCc1ccc(Cl)cc1 ZINC000064663864 569079727 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CC(C)CC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccccc1)C1CC1 ZINC000036046056 569082962 /nfs/dbraw/zinc/08/29/62/569082962.db2.gz FHLMCRKCYCVBFF-UHFFFAOYSA-N 0 0 416.525 4.515 50 0 HJAARN COc1cc(-c2c(NCc3ccccc3)oc3cc(C)oc(=O)c32)cc(OC)c1OC ZINC000006669425 569086230 /nfs/dbraw/zinc/08/62/30/569086230.db2.gz GHDYUFOHKMRGJK-UHFFFAOYSA-N 0 0 421.449 4.999 50 0 HJAARN CC(C)CNC(=O)c1coc(CN(Cc2cccc(F)c2)[C@@H](C)c2ccccc2)n1 ZINC000036073488 569086330 /nfs/dbraw/zinc/08/63/30/569086330.db2.gz WCYDPHMHBKHDCG-SFHVURJKSA-N 0 0 409.505 4.963 50 0 HJAARN C[C@@H]1CCCCN1C(=O)c1ccc(N2CCCN(Cc3ccccc3F)C2=O)cc1 ZINC000064743382 569087951 /nfs/dbraw/zinc/08/79/51/569087951.db2.gz MUCLYZLWRQOMPM-GOSISDBHSA-N 0 0 409.505 4.673 50 0 HJAARN CCOc1ccc(NC(=O)N2CCC[C@@H]2c2nc(-c3cccc(OC)c3)no2)cc1 ZINC000064747442 569088756 /nfs/dbraw/zinc/08/87/56/569088756.db2.gz WSNFOMBHBUHTOV-LJQANCHMSA-N 0 0 408.458 4.513 50 0 HJAARN CCOc1ccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3OC)no2)cc1 ZINC000064747574 569088828 /nfs/dbraw/zinc/08/88/28/569088828.db2.gz IPKVULHVOMVXDI-GOSISDBHSA-N 0 0 408.458 4.513 50 0 HJAARN CCOc1ccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccc(F)cc3F)no2)cc1 ZINC000064747677 569088942 /nfs/dbraw/zinc/08/89/42/569088942.db2.gz QVPFBOOHCXKGMP-SFHVURJKSA-N 0 0 414.412 4.783 50 0 HJAARN Cc1cc(C)cc(C(=O)Nc2ccc3nc(S(=O)(=O)CC(C)C)sc3c2)c1 ZINC000064747890 569089130 /nfs/dbraw/zinc/08/91/30/569089130.db2.gz VNJRXVFUWSQRAK-UHFFFAOYSA-N 0 0 402.541 4.595 50 0 HJAARN CC(C)C(=O)N(Cc1ccco1)Cc1nccn1Cc1ccc(C(F)(F)F)cc1 ZINC000006690323 569089508 /nfs/dbraw/zinc/08/95/08/569089508.db2.gz NFNFOGTULHPGDU-UHFFFAOYSA-N 0 0 405.420 4.728 50 0 HJAARN CCN(Cc1nccn1Cc1ccccc1C(F)(F)F)C(=O)c1ccc(C)cc1 ZINC000006690307 569089539 /nfs/dbraw/zinc/08/95/39/569089539.db2.gz FDESKXFCLAMRBD-UHFFFAOYSA-N 0 0 401.432 4.921 50 0 HJAARN CCc1cc(N(CC)CC)nc(SCc2cccc(C(=O)NCc3ccco3)c2)n1 ZINC000006695734 569091579 /nfs/dbraw/zinc/09/15/79/569091579.db2.gz VJYYYNXIBRNUHZ-UHFFFAOYSA-N 0 0 424.570 4.701 50 0 HJAARN COCCCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)C(C)C ZINC000036105075 569092769 /nfs/dbraw/zinc/09/27/69/569092769.db2.gz FITSXQQNABOUHJ-UHFFFAOYSA-N 0 0 404.576 4.867 50 0 HJAARN COc1ccccc1OCc1nc(CN(C(=O)c2cccs2)C(C)C)cs1 ZINC000036105707 569092910 /nfs/dbraw/zinc/09/29/10/569092910.db2.gz MROONNGFCBMECD-UHFFFAOYSA-N 0 0 402.541 4.843 50 0 HJAARN COCCCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)C1CCCC1 ZINC000036114243 569093794 /nfs/dbraw/zinc/09/37/94/569093794.db2.gz RKABBDMNJYQLDV-UHFFFAOYSA-N 0 0 416.587 4.894 50 0 HJAARN Cc1ccc(OCc2nc(CN(C(=O)c3ccc4c(c3)OCO4)C(C)C)cs2)cc1 ZINC000036114677 569093937 /nfs/dbraw/zinc/09/39/37/569093937.db2.gz YNBADMCZKHJGHX-UHFFFAOYSA-N 0 0 424.522 4.810 50 0 HJAARN COCCCN(Cc1csc(COc2ccccc2)n1)C(=O)c1ccccc1F ZINC000036114597 569093951 /nfs/dbraw/zinc/09/39/51/569093951.db2.gz XXIHCYPVLYRMHY-UHFFFAOYSA-N 0 0 414.502 4.540 50 0 HJAARN COc1ccc(C(=O)N(Cc2csc(COc3ccc(C)cc3)n2)C2CC2)cc1 ZINC000036114713 569093983 /nfs/dbraw/zinc/09/39/83/569093983.db2.gz CJBTUXBTAAWESH-UHFFFAOYSA-N 0 0 408.523 4.844 50 0 HJAARN COCCCN(Cc1csc(COc2ccccc2C)n1)C(=O)C1CCCC1 ZINC000036114879 569094003 /nfs/dbraw/zinc/09/40/03/569094003.db2.gz IBGQKMBLVCTFFN-UHFFFAOYSA-N 0 0 402.560 4.586 50 0 HJAARN CCOc1ccc(C[C@@H]2c3cc(Br)ccc3N(CC)C2=O)cc1OC ZINC000064787772 569094354 /nfs/dbraw/zinc/09/43/54/569094354.db2.gz AFHMXXBLZPQKRO-MRXNPFEDSA-N 0 0 404.304 4.549 50 0 HJAARN CCOC(=O)[C@H]1CCCN(C(=O)C[C@H](c2c[nH]c3ccccc32)c2cccc(F)c2)C1 ZINC000006705851 569095363 /nfs/dbraw/zinc/09/53/63/569095363.db2.gz NMQCVMRAHCRMNI-RXVVDRJESA-N 0 0 422.500 4.631 50 0 HJAARN COc1ccc(CSc2nnc(-c3sc4ncccc4c3N)n2C2CC2)cc1 ZINC000064794121 569096219 /nfs/dbraw/zinc/09/62/19/569096219.db2.gz VZFUFSUERFCMBG-UHFFFAOYSA-N 0 0 409.540 4.773 50 0 HJAARN CN(C)c1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)CC(C)(C)C)cc2)cc1 ZINC000006713332 569097112 /nfs/dbraw/zinc/09/71/12/569097112.db2.gz KDYRTKMMUBLKSX-JOCHJYFZSA-N 0 0 411.571 4.906 50 0 HJAARN CCNC(=O)N(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)C1CCCCC1 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O=C(CSc1nnc(NC(=O)c2ccccc2Cl)s1)c1ccc(F)cc1 ZINC000006834598 569148688 /nfs/dbraw/zinc/14/86/88/569148688.db2.gz YQIXDZDPJILERF-UHFFFAOYSA-N 0 0 407.879 4.558 50 0 HJAARN O=C(c1ccc(COc2ccc(OC(F)(F)F)cc2)o1)N1CCc2ccccc2C1 ZINC000036357483 569148910 /nfs/dbraw/zinc/14/89/10/569148910.db2.gz IMAPTHZGZZPGFR-UHFFFAOYSA-N 0 0 417.383 4.956 50 0 HJAARN CCOC(=O)[C@@H](CC)Sc1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)s1 ZINC000006837461 569149271 /nfs/dbraw/zinc/14/92/71/569149271.db2.gz KJGIQEODYASVGG-CQSZACIVSA-N 0 0 407.561 4.522 50 0 HJAARN CCOC(=O)CCCSc1nc2ccccc2c(=O)n1-c1cc(Cl)ccc1C ZINC000006837467 569149306 /nfs/dbraw/zinc/14/93/06/569149306.db2.gz HGSSBIKQWZFSLV-UHFFFAOYSA-N 0 0 416.930 4.783 50 0 HJAARN COc1cccc(-n2cnc3c2NC(=O)C[C@H]3c2ccc(OC)c(OC(C)C)c2)c1 ZINC000036358765 569150269 /nfs/dbraw/zinc/15/02/69/569150269.db2.gz LYDRGBBDHRGUPG-SFHVURJKSA-N 0 0 407.470 4.800 50 0 HJAARN Cc1ccc(C)c(NC(=O)c2c3c(cn(-c4ccccc4)c2=O)C(=O)CC(C)(C)C3)c1 ZINC000065000794 569151095 /nfs/dbraw/zinc/15/10/95/569151095.db2.gz CGOJFMBVQMKVHE-UHFFFAOYSA-N 0 0 414.505 4.862 50 0 HJAARN C[C@H]1CCCC[C@H]1NC(=O)COC(=O)CSC(c1ccccc1)c1ccccc1 ZINC000006840236 569151296 /nfs/dbraw/zinc/15/12/96/569151296.db2.gz KPZDMPUSZZFVJG-GHTZIAJQSA-N 0 0 411.567 4.747 50 0 HJAARN Fc1ccc(F)c(-c2nn3c(nnc3-c3ccc(F)c(Br)c3)s2)c1 ZINC000036359909 569151717 /nfs/dbraw/zinc/15/17/17/569151717.db2.gz RCXNIGFWQHKWIJ-UHFFFAOYSA-N 0 0 411.206 4.700 50 0 HJAARN Cc1sc2nc(S[C@H](C(=O)N(C)C)c3ccccc3)n(C(C)C)c(=O)c2c1C ZINC000006844416 569153203 /nfs/dbraw/zinc/15/32/03/569153203.db2.gz WOVXCEJMUAZMDP-KRWDZBQOSA-N 0 0 415.584 4.577 50 0 HJAARN O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1 ZINC000065023142 569154721 /nfs/dbraw/zinc/15/47/21/569154721.db2.gz RLQHBZPTLJHMSS-MRXNPFEDSA-N 0 0 410.880 4.791 50 0 HJAARN Cc1ccc(NC(=O)[C@@H]2CCCN(c3ncc(-c4ccc(F)cc4)cn3)C2)c(C)c1 ZINC000065023205 569154819 /nfs/dbraw/zinc/15/48/19/569154819.db2.gz AXAKHXOQEOXQTM-LJQANCHMSA-N 0 0 404.489 4.755 50 0 HJAARN Cc1ccc(-c2cnc(N3CCC[C@@H](C(=O)NCc4ccccc4Cl)C3)nc2)cc1 ZINC000065023378 569154905 /nfs/dbraw/zinc/15/49/05/569154905.db2.gz MQHISICEDIQMJP-HXUWFJFHSA-N 0 0 420.944 4.638 50 0 HJAARN O=C(NCCC1=CCCCC1)[C@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1 ZINC000065023449 569154967 /nfs/dbraw/zinc/15/49/67/569154967.db2.gz SDGVMKVXTALJCP-FQEVSTJZSA-N 0 0 408.521 4.506 50 0 HJAARN O=C(NCCCc1ccccc1)c1nc2c3ccccc3oc2c(N2CCCCC2)n1 ZINC000065025010 569156074 /nfs/dbraw/zinc/15/60/74/569156074.db2.gz LYAYAXXRSGXMLO-UHFFFAOYSA-N 0 0 414.509 4.729 50 0 HJAARN COc1cccc(CNC(=O)c2cccc(-c3cnc(NC4CCCCC4)nc3)c2)c1 ZINC000065025808 569156511 /nfs/dbraw/zinc/15/65/11/569156511.db2.gz ABPZLWUXLXBYJF-UHFFFAOYSA-N 0 0 416.525 4.827 50 0 biogenic HJAARN Cc1ccc(Cl)cc1NC(=O)Nc1cc(F)c2nc(N3CCOCC3)ccc2c1 ZINC000065029801 569156617 /nfs/dbraw/zinc/15/66/17/569156617.db2.gz XFKIERWCLKSYDD-UHFFFAOYSA-N 0 0 414.868 4.816 50 0 HJAARN CC(C)C(=O)Nc1ccc(C2(C(=O)NCc3ccc(F)cc3Cl)CCC2)cc1 ZINC000065029522 569156833 /nfs/dbraw/zinc/15/68/33/569156833.db2.gz GBXSQTXRIAUVTL-UHFFFAOYSA-N 0 0 402.897 4.812 50 0 HJAARN Cc1ccccc1Cn1nnc2cc(C(=O)N3CCC(Cc4ccccc4)CC3)ccc21 ZINC000065030292 569157089 /nfs/dbraw/zinc/15/70/89/569157089.db2.gz BDJYHNKXVRBUGO-UHFFFAOYSA-N 0 0 424.548 4.883 50 0 HJAARN COc1ccc(C2=NO[C@H](CN(Cc3ccc(F)cc3)C(=O)CC(C)(C)C)C2)cc1 ZINC000006869705 569160299 /nfs/dbraw/zinc/16/02/99/569160299.db2.gz RNNOIRSIEZMQNU-NRFANRHFSA-N 0 0 412.505 4.792 50 0 HJAARN CCC(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000006872090 569162169 /nfs/dbraw/zinc/16/21/69/569162169.db2.gz NEXIKQHHLJFTQN-GOSISDBHSA-N 0 0 408.395 4.776 50 0 HJAARN Cc1ccc(C2=NO[C@@H](CN(Cc3ccc(F)cc3F)C(=O)CC(C)C)C2)cc1 ZINC000006872601 569162318 /nfs/dbraw/zinc/16/23/18/569162318.db2.gz DCACRTUJUIFGKG-HXUWFJFHSA-N 0 0 400.469 4.841 50 0 HJAARN COc1ccc(C2=NO[C@H](CN(Cc3ccc(F)cc3F)C(=O)CC(C)C)C2)cc1 ZINC000006872863 569162344 /nfs/dbraw/zinc/16/23/44/569162344.db2.gz RDWGHIQVPKEEMX-FQEVSTJZSA-N 0 0 416.468 4.541 50 0 HJAARN CCC(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000006874006 569162630 /nfs/dbraw/zinc/16/26/30/569162630.db2.gz YVCZXRAJROENNR-SFHVURJKSA-N 0 0 408.395 4.776 50 0 HJAARN Cc1cc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)no1 ZINC000006875738 569163197 /nfs/dbraw/zinc/16/31/97/569163197.db2.gz YCGDUUJJIKNHJN-UXHICEINSA-N 0 0 409.511 4.620 50 0 HJAARN Cc1ccccc1CNC(=O)[C@]1(C)CCCN(C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000065058696 569163649 /nfs/dbraw/zinc/16/36/49/569163649.db2.gz TWZWPFZSOHPRNS-HSZRJFAPSA-N 0 0 413.949 4.907 50 0 HJAARN Cc1ccc(CNC(=O)[C@]2(C)CCCN(C(=O)Nc3cccc(Cl)c3C)C2)cc1 ZINC000065059054 569164310 /nfs/dbraw/zinc/16/43/10/569164310.db2.gz IPOWQQGHMURZJG-HSZRJFAPSA-N 0 0 413.949 4.907 50 0 HJAARN CC[C@H]1CCCCN1C(=O)Cn1c(SCc2ccccc2F)nc2cccnc21 ZINC000006877834 569164731 /nfs/dbraw/zinc/16/47/31/569164731.db2.gz WCAMLVOBYFMDGI-KRWDZBQOSA-N 0 0 412.534 4.654 50 0 HJAARN CN(CCCNC(=O)c1ccc(-c2noc(-c3ccccc3)n2)s1)c1ccccc1 ZINC000065063046 569166878 /nfs/dbraw/zinc/16/68/78/569166878.db2.gz ZLABDRPAYRBIIR-UHFFFAOYSA-N 0 0 418.522 4.721 50 0 HJAARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)OC(=O)c1[nH]c2ccccc2c1Cl ZINC000036393871 569168436 /nfs/dbraw/zinc/16/84/36/569168436.db2.gz AJUFOEHOUCNUMC-LLVKDONJSA-N 0 0 421.280 4.976 50 0 HJAARN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@@H]1Cc2ccccc2S1 ZINC000036394677 569168548 /nfs/dbraw/zinc/16/85/48/569168548.db2.gz PHDZVXXFNZDJMB-SFHVURJKSA-N 0 0 423.365 4.888 50 0 HJAARN C[C@]1(C(=O)NCc2ccc(Cl)cc2)Cc2ccccc2C(=O)N1c1ccc(F)cc1 ZINC000065075120 569169441 /nfs/dbraw/zinc/16/94/41/569169441.db2.gz IAGNWAKPKMBTPC-XMMPIXPASA-N 0 0 422.887 4.757 50 0 HJAARN COc1ccc(OC)c(-c2csc(NC(=O)CCCOc3ccc(C)cc3)n2)c1 ZINC000006887264 569170915 /nfs/dbraw/zinc/17/09/15/569170915.db2.gz WZCFFIULYRQHIH-UHFFFAOYSA-N 0 0 412.511 4.933 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)Cc2csc3nc(-c4ccc(Cl)cc4)cn23)cc1 ZINC000065079251 569170962 /nfs/dbraw/zinc/17/09/62/569170962.db2.gz WQIALLAXDPVYDR-UHFFFAOYSA-N 0 0 424.913 4.856 50 0 HJAARN COc1ccc(-c2cn3c(CC(=O)NC[C@@H](C)c4ccccc4)csc3n2)cc1 ZINC000065079313 569171048 /nfs/dbraw/zinc/17/10/48/569171048.db2.gz QIUXXQOLACAYMR-MRXNPFEDSA-N 0 0 405.523 4.534 50 0 HJAARN COc1cc(OC)c(Nc2ncncc2-c2nc(-c3ccccc3)no2)cc1Cl ZINC000169775676 569172159 /nfs/dbraw/zinc/17/21/59/569172159.db2.gz UCBZHZWFOAJVPC-UHFFFAOYSA-N 0 0 409.833 4.608 50 0 HJAARN Cc1ccc(-n2nnc(C(=O)NCc3ccc(Cl)cc3)c2-c2ccncc2)cc1C ZINC000065082915 569173244 /nfs/dbraw/zinc/17/32/44/569173244.db2.gz HMAACTSJAOBBCT-UHFFFAOYSA-N 0 0 417.900 4.530 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000065084881 569173515 /nfs/dbraw/zinc/17/35/15/569173515.db2.gz DVTWKIDNHZRKMM-UHFFFAOYSA-N 0 0 411.426 4.852 50 0 HJAARN Cc1ccc(S(=O)(=O)c2ccc(C(=O)N[C@H]3CCCc4ccccc43)s2)cc1 ZINC000065085358 569173685 /nfs/dbraw/zinc/17/36/85/569173685.db2.gz PUVATCUTBPCPBL-IBGZPJMESA-N 0 0 411.548 4.697 50 0 HJAARN CC(C)c1ccc(CNC(=O)c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)cc1 ZINC000169779600 569174443 /nfs/dbraw/zinc/17/44/43/569174443.db2.gz DSZNAQGBZZQYSK-JOCHJYFZSA-N 0 0 409.917 4.861 50 0 HJAARN COc1cccc(-n2cc(C(=O)NCc3ccccc3Cl)c3ccccc3c2=O)c1 ZINC000006892616 569174574 /nfs/dbraw/zinc/17/45/74/569174574.db2.gz KFDNJJUMUFBKKK-UHFFFAOYSA-N 0 0 418.880 4.583 50 0 HJAARN CC[C@@H](Sc1nnc(C)n2c3ccsc3cc12)C(=O)Nc1ccccc1F ZINC000006893857 569175061 /nfs/dbraw/zinc/17/50/61/569175061.db2.gz WLKZTVONOHHFTA-MRXNPFEDSA-N 0 0 400.504 4.901 50 0 HJAARN CC[C@H](Sc1nnc(C)n2c3ccsc3cc12)C(=O)Nc1ccccc1OC ZINC000006893854 569175077 /nfs/dbraw/zinc/17/50/77/569175077.db2.gz RFUMKRZAAFCLNG-KRWDZBQOSA-N 0 0 412.540 4.770 50 0 HJAARN CCOc1ccc(CNC(=O)c2ccc(C[S@](=O)c3ccccc3Cl)o2)cc1 ZINC000006895501 569175342 /nfs/dbraw/zinc/17/53/42/569175342.db2.gz HTOIYAZMZSQCEK-MUUNZHRXSA-N 0 0 417.914 4.570 50 0 HJAARN CCc1nnc(S[C@H](CC)C(=O)Nc2ccccc2F)c2cc3oc(C)cc3n21 ZINC000006894277 569175693 /nfs/dbraw/zinc/17/56/93/569175693.db2.gz FXOZRLCBECLLOH-GOSISDBHSA-N 0 0 412.490 4.995 50 0 HJAARN CC1CCN(S(=O)(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)no3)cs2)CC1 ZINC000065097978 569176908 /nfs/dbraw/zinc/17/69/08/569176908.db2.gz BPZFJVDXCUBTHS-UHFFFAOYSA-N 0 0 423.947 4.539 50 0 HJAARN COc1cc(-c2nc(-c3cccc(-c4csc(C)n4)c3)no2)cc(OC)c1OC ZINC000065098164 569177039 /nfs/dbraw/zinc/17/70/39/569177039.db2.gz WQOWVCVKSLDDCB-UHFFFAOYSA-N 0 0 409.467 4.861 50 0 HJAARN Cc1ccc(NC(=O)COc2cc(C)nc(-c3ccc(C(F)(F)F)cc3)n2)c(F)c1 ZINC000065134024 569183079 /nfs/dbraw/zinc/18/30/79/569183079.db2.gz IDEKBTQRWQTNCR-UHFFFAOYSA-N 0 0 419.378 4.936 50 0 HJAARN Cc1ccc(-c2nc(C)cc(OCC(=O)Nc3ccccc3Br)n2)cc1 ZINC000065133839 569183086 /nfs/dbraw/zinc/18/30/86/569183086.db2.gz YFKSYXWEYDOGGP-UHFFFAOYSA-N 0 0 412.287 4.540 50 0 HJAARN Cc1cc(OCC(=O)Nc2cc(F)ccc2C)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000065134029 569183088 /nfs/dbraw/zinc/18/30/88/569183088.db2.gz JDCRPFVYGFNDDL-UHFFFAOYSA-N 0 0 419.378 4.936 50 0 HJAARN Cc1ccc(NC(=O)N2CCC[C@H](CCC(=O)NCc3cccc(Cl)c3)C2)cc1 ZINC000065136264 569183313 /nfs/dbraw/zinc/18/33/13/569183313.db2.gz PJEKPFKDPVDCEG-GOSISDBHSA-N 0 0 413.949 4.989 50 0 HJAARN COc1ccc(Br)c(C(=O)O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000006931574 569184376 /nfs/dbraw/zinc/18/43/76/569184376.db2.gz ORVOMJCEAPQRBF-AWEZNQCLSA-N 0 0 420.303 4.567 50 0 HJAARN COCCn1cc2c3c1cccc3CN(C(=O)Nc1ccc(F)c(Cl)c1)CC2 ZINC000065148902 569184441 /nfs/dbraw/zinc/18/44/41/569184441.db2.gz OVVSFRPZROBSDP-UHFFFAOYSA-N 0 0 401.869 4.670 50 0 HJAARN CCOc1ccc(-c2nc(COC(=O)Cc3ccc(F)cc3)cs2)cc1OC ZINC000006933105 569184550 /nfs/dbraw/zinc/18/45/50/569184550.db2.gz GTQWVMNSKKODMB-UHFFFAOYSA-N 0 0 401.459 4.642 50 0 HJAARN Cc1nnc(S[C@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)n1C1CC1 ZINC000006934726 569184977 /nfs/dbraw/zinc/18/49/77/569184977.db2.gz XMVOXYCRRJEGAR-SECBINFHSA-N 0 0 415.569 4.801 50 0 HJAARN O=C(CN1CCc2sccc2[C@@H]1c1cccs1)NCCc1c[nH]c2ccccc12 ZINC000036442631 569185131 /nfs/dbraw/zinc/18/51/31/569185131.db2.gz GYVSISZYUAHFOY-HSZRJFAPSA-N 0 0 421.591 4.597 50 0 HJAARN Cc1cccc2sc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)nc21 ZINC000006937138 569185281 /nfs/dbraw/zinc/18/52/81/569185281.db2.gz KTLDSEZYIDEPMD-HNNXBMFYSA-N 0 0 413.930 4.749 50 0 HJAARN COc1ccc(-c2cn3ccccc3c2S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000006935518 569186176 /nfs/dbraw/zinc/18/61/76/569186176.db2.gz GFNYPWJZOHVOAV-UHFFFAOYSA-N 0 0 411.454 4.595 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)NCCc1cn(CC(C)C)c2ncccc12 ZINC000065156685 569186520 /nfs/dbraw/zinc/18/65/20/569186520.db2.gz CPHDUKRZVVDKDG-UHFFFAOYSA-N 0 0 400.910 4.719 50 0 HJAARN CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)c1ccccc1-c1ccccc1 ZINC000006941024 569186595 /nfs/dbraw/zinc/18/65/95/569186595.db2.gz PCKHKOMZSMRTPK-UHFFFAOYSA-N 0 0 411.860 4.962 50 0 HJAARN Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c(C)c1 ZINC000006942464 569186824 /nfs/dbraw/zinc/18/68/24/569186824.db2.gz UDSMTLPZNSCAGD-UHFFFAOYSA-N 0 0 420.962 4.774 50 0 HJAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CCCC(=O)NCc2cccs2)c1 ZINC000006948971 569188395 /nfs/dbraw/zinc/18/83/95/569188395.db2.gz UBSYSYWKUIOWKC-UHFFFAOYSA-N 0 0 410.539 4.798 50 0 HJAARN COc1ccc(NC(=O)c2csc(-c3ccc(N4CCCCC4)nc3)n2)c(C)c1 ZINC000065165404 569189507 /nfs/dbraw/zinc/18/95/07/569189507.db2.gz DTXDMJUKDBKEPT-UHFFFAOYSA-N 0 0 408.527 4.765 50 0 HJAARN Cc1ccccc1C(=O)N1CCC(COc2ccc(C(=O)N3CCCCC3)cc2)CC1 ZINC000065179799 569190558 /nfs/dbraw/zinc/19/05/58/569190558.db2.gz QGJSIXUMKOGMDN-UHFFFAOYSA-N 0 0 420.553 4.552 50 0 HJAARN COc1cc(OC)cc(C(=O)Nc2c(-c3ccc(F)cc3)nc3cc(C)ccn32)c1 ZINC000006970808 569192064 /nfs/dbraw/zinc/19/20/64/569192064.db2.gz CRIIVXRRTMYIAA-UHFFFAOYSA-N 0 0 405.429 4.718 50 0 HJAARN CCN(CC)C(=O)[C@H](Sc1nnc2cc(C)c3ccccc3n21)c1ccccc1 ZINC000006977627 569192549 /nfs/dbraw/zinc/19/25/49/569192549.db2.gz HMABVCGWMOFKRR-OAQYLSRUSA-N 0 0 404.539 4.893 50 0 HJAARN COc1ccc(NC(=O)Cn2c(C)cc(-c3nnc(-c4cccs4)o3)c2C)cc1 ZINC000065194821 569192883 /nfs/dbraw/zinc/19/28/83/569192883.db2.gz FQKYDSAZXOLYQS-UHFFFAOYSA-N 0 0 408.483 4.531 50 0 HJAARN 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COc1cccc(C(=O)N2c3ncnn3[C@H](c3ccccc3)C[C@H]2c2ccc(C)cc2)c1 ZINC000010059793 569253032 /nfs/dbraw/zinc/25/30/32/569253032.db2.gz TZTTUFFGQPGCOK-ZEQRLZLVSA-N 0 0 424.504 4.976 50 0 HJAARN COc1ccccc1C(=O)N1c2ncnn2[C@H](c2ccc(C)cc2)C[C@@H]1c1ccccc1 ZINC000010060311 569253100 /nfs/dbraw/zinc/25/31/00/569253100.db2.gz YWBROZUSGPSVMC-PKTZIBPZSA-N 0 0 424.504 4.976 50 0 HJAARN COc1ccc([C@@H]2C[C@@H](c3ccccc3)n3ncnc3N2C(=O)c2ccc(C)cc2)cc1 ZINC000010060277 569253124 /nfs/dbraw/zinc/25/31/24/569253124.db2.gz BFNOXHJECMWYKS-ZEQRLZLVSA-N 0 0 424.504 4.976 50 0 HJAARN COc1ccc(Cl)cc1CN1CCN(C(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000013324492 569254865 /nfs/dbraw/zinc/25/48/65/569254865.db2.gz AWTWAELSPLJQEA-UHFFFAOYSA-N 0 0 408.329 4.660 50 0 HJAARN CCCCOc1ccc(CN2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000013322765 569254872 /nfs/dbraw/zinc/25/48/72/569254872.db2.gz YFMIKZQYKGIKQI-UHFFFAOYSA-N 0 0 401.938 4.869 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)Nc1c(C)nn(Cc2ccccc2F)c1C ZINC000013331255 569255129 /nfs/dbraw/zinc/25/51/29/569255129.db2.gz AEENMXKBBYXIJB-UHFFFAOYSA-N 0 0 402.857 4.993 50 0 HJAARN Cc1cc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C)C3)on1 ZINC000013595652 569256550 /nfs/dbraw/zinc/25/65/50/569256550.db2.gz CRUYHZKRHADSCB-UHFFFAOYSA-N 0 0 410.524 4.561 50 0 HJAARN O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2)c1ccc(C(F)(F)F)cc1 ZINC000013695403 569257026 /nfs/dbraw/zinc/25/70/26/569257026.db2.gz NPUOACRSEQDXNC-UHFFFAOYSA-N 0 0 400.356 4.754 50 0 HJAARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)Nc1cc(F)ccc1F ZINC000013709015 569257358 /nfs/dbraw/zinc/25/73/58/569257358.db2.gz KJHDDDLAWZFQRK-UHFFFAOYSA-N 0 0 420.419 4.925 50 0 HJAARN CC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccs1 ZINC000014048099 569258526 /nfs/dbraw/zinc/25/85/26/569258526.db2.gz OZSBKJHCURDKQR-AWEZNQCLSA-N 0 0 405.932 4.731 50 0 HJAARN COc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(Cl)c3)n2)cc1 ZINC000014609484 569260652 /nfs/dbraw/zinc/26/06/52/569260652.db2.gz GBIZNYUOMWPDAR-UHFFFAOYSA-N 0 0 404.857 4.849 50 0 HJAARN CCOc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(OC)cc3)n2)cc1 ZINC000014609679 569260729 /nfs/dbraw/zinc/26/07/29/569260729.db2.gz RKNCHTXWXKFXHC-UHFFFAOYSA-N 0 0 414.465 4.594 50 0 HJAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000014636286 569261080 /nfs/dbraw/zinc/26/10/80/569261080.db2.gz ZHKIHFBDERKUEA-JOCHJYFZSA-N 0 0 406.482 4.938 50 0 HJAARN Cc1ccccc1-n1nc(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)c2c1CCC2 ZINC000089700337 569262777 /nfs/dbraw/zinc/26/27/77/569262777.db2.gz IFRUMQUOPLBNFW-UHFFFAOYSA-N 0 0 407.424 4.736 50 0 HJAARN CCCCn1c(=O)c2sccc2nc1SCc1nc(-c2cccc(C)c2)no1 ZINC000016843271 569264842 /nfs/dbraw/zinc/26/48/42/569264842.db2.gz GTLWNKXAXRWHLL-UHFFFAOYSA-N 0 0 412.540 4.909 50 0 HJAARN CCc1cccc(NC(=O)Cn2c(CC)nc3c(sc4cccc(F)c43)c2=O)c1 ZINC000016843849 569264946 /nfs/dbraw/zinc/26/49/46/569264946.db2.gz XDIDBMOTOKYICS-UHFFFAOYSA-N 0 0 409.486 4.514 50 0 HJAARN COc1ccc(NC(=O)Cc2csc(Nc3cccc(Cl)c3)n2)c(OC)c1 ZINC000016850313 569265802 /nfs/dbraw/zinc/26/58/02/569265802.db2.gz KDWCUHCIRBIJIQ-UHFFFAOYSA-N 0 0 403.891 4.739 50 0 HJAARN O=C(Nc1ccc(F)cc1)c1nnc(CN(C2CC2)[C@@H]2CCc3ccccc32)s1 ZINC000089858135 569267177 /nfs/dbraw/zinc/26/71/77/569267177.db2.gz NEMYMRZSECLTDU-LJQANCHMSA-N 0 0 408.502 4.581 50 0 HJAARN Fc1ccc([C@@H](CNc2cc(C(F)(F)F)nc3ccccc32)N2CCOCC2)cc1 ZINC000089866635 569267464 /nfs/dbraw/zinc/26/74/64/569267464.db2.gz JXKAXIYAJQERSL-HXUWFJFHSA-N 0 0 419.422 4.878 50 0 HJAARN O=C(c1ccoc1)N1N=C(C2CC2)C[C@@H]1c1cc2cc3c(cc2nc1Cl)OCO3 ZINC000089885113 569267734 /nfs/dbraw/zinc/26/77/34/569267734.db2.gz DUUKMDIAUSAGAZ-QGZVFWFLSA-N 0 0 409.829 4.563 50 0 HJAARN Cc1cc(C(=O)CSc2nnc(NC3CC3)s2)c(C)n1Cc1cccs1 ZINC000007577536 569267844 /nfs/dbraw/zinc/26/78/44/569267844.db2.gz TVFDOZSEXZDMSC-UHFFFAOYSA-N 0 0 404.586 4.616 50 0 HJAARN CC(C)CS(=O)(=O)CCC(=O)N(C)[C@H](c1csc2ccccc21)[C@@H]1C[C@@H]1C ZINC000089922053 569268752 /nfs/dbraw/zinc/26/87/52/569268752.db2.gz JHCZQUCWXFTZIO-XPIZARPCSA-N 0 0 407.601 4.518 50 0 HJAARN COc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2OC)cc1 ZINC000014705714 569269651 /nfs/dbraw/zinc/26/96/51/569269651.db2.gz VNUKXQUHKMAPKB-UHFFFAOYSA-N 0 0 404.491 4.695 50 0 HJAARN CCCN(CC(=O)Nc1ccccc1OC)Cc1cnoc1-c1ccc(Cl)cc1 ZINC000089958959 569269960 /nfs/dbraw/zinc/26/99/60/569269960.db2.gz MHUMNKBNFNQVHK-UHFFFAOYSA-N 0 0 413.905 4.854 50 0 HJAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(OC)c(Cl)c1 ZINC000089969253 569270401 /nfs/dbraw/zinc/27/04/01/569270401.db2.gz RHMZBSZCTSPJSF-UHFFFAOYSA-N 0 0 400.828 4.828 50 0 HJAARN Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2)n(-c2nc(-c3cccs3)cs2)n1 ZINC000017012009 569271358 /nfs/dbraw/zinc/27/13/58/569271358.db2.gz PSYXUSOWGYGRJR-CQSZACIVSA-N 0 0 410.524 4.772 50 0 HJAARN Cc1cc(NC(=O)c2ccc(F)c(F)c2)n(-c2nc(-c3cccs3)cs2)n1 ZINC000017012057 569271389 /nfs/dbraw/zinc/27/13/89/569271389.db2.gz OYRSJBLJTYOHSK-UHFFFAOYSA-N 0 0 402.451 4.896 50 0 HJAARN Cc1ccc(-c2nc3n(c2CNC(=O)C24CC5CC(CC(C5)C2)C4)CCS3)cc1 ZINC000017051197 569272513 /nfs/dbraw/zinc/27/25/13/569272513.db2.gz JRZBLUSPYCZRRR-UHFFFAOYSA-N 0 0 407.583 4.797 50 0 HJAARN O=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000017169797 569276083 /nfs/dbraw/zinc/27/60/83/569276083.db2.gz SRAOLUKGYIOQBC-GOSISDBHSA-N 0 0 424.305 4.531 50 0 HJAARN CCOC(=O)c1sc2ncn(Cc3cccc(Oc4ccccc4)c3)c(=O)c2c1C ZINC000000936981 569276828 /nfs/dbraw/zinc/27/68/28/569276828.db2.gz ZUCHWXLJGLNVDF-UHFFFAOYSA-N 0 0 420.490 4.784 50 0 HJAARN CCOC(=O)COc1c(Br)cc(-c2nc3ccccc3s2)cc1OC ZINC000001062260 569277214 /nfs/dbraw/zinc/27/72/14/569277214.db2.gz NKSGCCXNIKPENW-UHFFFAOYSA-N 0 0 422.300 4.676 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)CSCC(=O)c1ccc(Br)cc1 ZINC000003017430 569278581 /nfs/dbraw/zinc/27/85/81/569278581.db2.gz IWKZKOMNLSQDOP-UHFFFAOYSA-N 0 0 412.736 4.966 50 0 HJAARN Cc1cccc(NC2CCN(C(=O)c3cnc(Cc4ccc(F)cc4)s3)CC2)c1 ZINC000170638094 569280241 /nfs/dbraw/zinc/28/02/41/569280241.db2.gz RDYMEJCXLRPKIV-UHFFFAOYSA-N 0 0 409.530 4.898 50 0 HJAARN CCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c12 ZINC000002091552 569280370 /nfs/dbraw/zinc/28/03/70/569280370.db2.gz PQZPVXHFSITKMY-INIZCTEOSA-N 0 0 417.502 4.509 50 0 biogenic HJAARN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1 ZINC000002095882 569280965 /nfs/dbraw/zinc/28/09/65/569280965.db2.gz INFZQDRIPCCQGG-LJQANCHMSA-N 0 0 423.465 4.669 50 0 biogenic HJAARN Cc1cccc(-c2nc(NCCOc3ccccc3)nc3nn(C(C)(C)C)c(N)c32)c1 ZINC000037360678 569283538 /nfs/dbraw/zinc/28/35/38/569283538.db2.gz UQNQOQKMWGCWRO-UHFFFAOYSA-N 0 0 416.529 4.630 50 0 HJAARN CCc1cc2c(cc1OC(C)=O)oc(C)c(-c1ccc3c(c1)OCCCCO3)c2=O ZINC000002124069 569285672 /nfs/dbraw/zinc/28/56/72/569285672.db2.gz PIFJAPMUWQNBER-UHFFFAOYSA-N 0 0 408.450 4.808 50 0 biogenic HJAARN C[C@H](C(=O)Nc1cccc2ccccc21)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000252444131 569286033 /nfs/dbraw/zinc/28/60/33/569286033.db2.gz AIWFZJWTBLAVSI-VGSWGCGISA-N 0 0 402.494 4.775 50 0 HJAARN C[C@@H]1C[C@@H](C)CN(c2nnc(SC[C@H]3CC3(Cl)Cl)n2Cc2ccco2)C1 ZINC000252452859 569286297 /nfs/dbraw/zinc/28/62/97/569286297.db2.gz IUPYGHVAQFQZGQ-MGPQQGTHSA-N 0 0 415.390 4.688 50 0 HJAARN CC(=O)Oc1cc(OCc2ccccc2)c(OC(C)=O)c(OCc2ccccc2)c1 ZINC000000641879 569287704 /nfs/dbraw/zinc/28/77/04/569287704.db2.gz CSSMRIUJVDNLGI-UHFFFAOYSA-N 0 0 406.434 4.695 50 0 HJAARN Cc1cccc(-c2nc(N3CCCCC3)nc3nn(-c4cc(F)ccc4F)c(N)c32)c1 ZINC000037376974 569288108 /nfs/dbraw/zinc/28/81/08/569288108.db2.gz RNZOZEVWKNODOT-UHFFFAOYSA-N 0 0 420.467 4.642 50 0 HJAARN COCCn1c2ccccc2nc1[C@@H](C)NC(=O)c1nc(C)sc1-c1ccccc1 ZINC000252482198 569289027 /nfs/dbraw/zinc/28/90/27/569289027.db2.gz DAKOUYDEURIWDB-OAHLLOKOSA-N 0 0 420.538 4.606 50 0 HJAARN CC(C)C[C@@H](NC(=O)CC1(n2cccc2)CCSCC1)c1nc2ccccc2[nH]1 ZINC000252485494 569289144 /nfs/dbraw/zinc/28/91/44/569289144.db2.gz GWQWXMZFSUBMPR-HXUWFJFHSA-N 0 0 410.587 4.880 50 0 HJAARN Brc1ccccc1Nc1ncncc1-c1nc(-c2ccsc2)no1 ZINC000252483129 569289192 /nfs/dbraw/zinc/28/91/92/569289192.db2.gz DVRTZMUFWXVFNM-UHFFFAOYSA-N 0 0 400.261 4.761 50 0 HJAARN CC(C)Sc1ccc(CC(=O)N2CC[C@@H](Oc3cccc4cccnc43)C2)cc1 ZINC000252492911 569290706 /nfs/dbraw/zinc/29/07/06/569290706.db2.gz MXHYUCGNMFWNIV-HXUWFJFHSA-N 0 0 406.551 4.958 50 0 HJAARN CC(C)[C@H](NC(=O)c1ccc(Br)cc1)c1nc(-c2ccccc2)no1 ZINC000252494022 569290877 /nfs/dbraw/zinc/29/08/77/569290877.db2.gz NIRMGQFFOPCECQ-INIZCTEOSA-N 0 0 400.276 4.626 50 0 HJAARN C[C@@H](SC1=Nc2ccccc2[C@H]2CC=NN12)C(=O)Nc1ccc(F)c(F)c1F ZINC000012599044 569291651 /nfs/dbraw/zinc/29/16/51/569291651.db2.gz ZLPVFGREDVACQK-MEBBXXQBSA-N 0 0 404.417 4.598 50 0 HJAARN C[S@](=O)Cc1cc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)ccc1Cl ZINC000252527754 569292650 /nfs/dbraw/zinc/29/26/50/569292650.db2.gz DGISDWAOSGVDAQ-OCDDVZBJSA-N 0 0 400.302 4.753 50 0 HJAARN O=C(Oc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CCCC4)cc1)c1ccccc1 ZINC000002190289 569293734 /nfs/dbraw/zinc/29/37/34/569293734.db2.gz GSUQLRBFEZORCY-HXUWFJFHSA-N 0 0 404.491 4.700 50 0 HJAARN C[C@H](NCc1ccc(Oc2cnccn2)cc1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000170655320 569295452 /nfs/dbraw/zinc/29/54/52/569295452.db2.gz JWQIIAWXYGNEJH-AWEZNQCLSA-N 0 0 407.861 4.823 50 0 HJAARN Cc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)c(C)c1 ZINC000007616055 569295895 /nfs/dbraw/zinc/29/58/95/569295895.db2.gz BXHORIORCYIVAR-UHFFFAOYSA-N 0 0 417.896 4.972 50 0 HJAARN CC(=O)Nc1cccc(-c2nnc(SCc3c(C)cc(C)c(C(C)=O)c3C)n2C)c1 ZINC000002207617 569296925 /nfs/dbraw/zinc/29/69/25/569296925.db2.gz JXXVOYXUPUOZGB-UHFFFAOYSA-N 0 0 422.554 4.861 50 0 HJAARN C[C@H](Sc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1)C(=O)NC1CC1 ZINC000007654389 569299094 /nfs/dbraw/zinc/29/90/94/569299094.db2.gz WUDXXOTXPAMWRK-ZDUSSCGKSA-N 0 0 412.540 4.833 50 0 HJAARN Cc1ccc(Nc2nnc(SCC(=O)N[C@@H](C)c3ccc(F)cc3)s2)cc1 ZINC000007654602 569299157 /nfs/dbraw/zinc/29/91/57/569299157.db2.gz SHCIXVMKROKTNT-ZDUSSCGKSA-N 0 0 402.520 4.699 50 0 HJAARN CCNC(=O)CN(c1nc(-c2ccc(OC)cc2)cs1)c1ccccc1Cl ZINC000037438875 569299414 /nfs/dbraw/zinc/29/94/14/569299414.db2.gz PJRGHCCXUPGIGA-UHFFFAOYSA-N 0 0 401.919 4.746 50 0 HJAARN CC[C@H](C(=O)N1CCCC1)N(c1nc(C(C)(C)C)cs1)c1ccc(OC)cc1 ZINC000037439366 569299483 /nfs/dbraw/zinc/29/94/83/569299483.db2.gz WTIYYFOWWAOJAY-GOSISDBHSA-N 0 0 401.576 4.988 50 0 HJAARN O=C(c1cccc(F)c1)N(Cc1ccccc1F)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037440763 569299569 /nfs/dbraw/zinc/29/95/69/569299569.db2.gz KSJJEOSAPQPHHG-OAQYLSRUSA-N 0 0 424.422 4.940 50 0 HJAARN O=C(c1ccccc1F)N(Cc1ccccc1F)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037440959 569299600 /nfs/dbraw/zinc/29/96/00/569299600.db2.gz VRFTWMQJABZCPN-LJQANCHMSA-N 0 0 424.422 4.940 50 0 HJAARN CCNC(=O)N(Cc1ccc(C(F)(F)F)cc1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037442300 569299719 /nfs/dbraw/zinc/29/97/19/569299719.db2.gz GUYRUWDVZXKAFK-GOSISDBHSA-N 0 0 423.410 4.569 50 0 HJAARN Cc1ccc(-c2noc(CN(C)C(=O)c3cccc(OCc4ccccc4)c3)n2)cc1 ZINC000007668680 569299813 /nfs/dbraw/zinc/29/98/13/569299813.db2.gz PNSCMXNLAIDMSN-UHFFFAOYSA-N 0 0 413.477 4.896 50 0 HJAARN O=C(c1nn(-c2ccccc2)c(=O)c2ccccc21)N1CCCSc2ccccc21 ZINC000007717596 569301915 /nfs/dbraw/zinc/30/19/15/569301915.db2.gz NECNULMXWUISMI-UHFFFAOYSA-N 0 0 413.502 4.528 50 0 HJAARN C[C@H]1C(=O)N(c2ccccc2-c2ccccc2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000037520942 569302972 /nfs/dbraw/zinc/30/29/72/569302972.db2.gz PUMOYIPMBBAQIW-KRWDZBQOSA-N 0 0 404.897 4.885 50 0 HJAARN CCOC(=O)C1CCN(C(=O)c2cc3sc(C)cc3n2Cc2ccccc2C)CC1 ZINC000037526722 569304248 /nfs/dbraw/zinc/30/42/48/569304248.db2.gz DXODRGYFOLMNIO-UHFFFAOYSA-N 0 0 424.566 4.783 50 0 HJAARN COc1ccc2c(CC(=O)OCc3cc(Cl)c4c(c3)OCCCO4)coc2c1 ZINC000007735609 569304550 /nfs/dbraw/zinc/30/45/50/569304550.db2.gz YBMQYIDPQCKVAV-UHFFFAOYSA-N 0 0 402.830 4.542 50 0 HJAARN CCOC(=O)C1CCN(C(=O)c2cc3sc(C)cc3n2Cc2ccc(C)cc2)CC1 ZINC000037541369 569304969 /nfs/dbraw/zinc/30/49/69/569304969.db2.gz UNQUTGSORBBOAU-UHFFFAOYSA-N 0 0 424.566 4.783 50 0 HJAARN COc1cc(OC)cc(-c2nnc(S[C@@H](C)c3nnc(-c4ccccc4)o3)o2)c1 ZINC000007780824 569310079 /nfs/dbraw/zinc/31/00/79/569310079.db2.gz PNJLSXWXMYSRPP-LBPRGKRZSA-N 0 0 410.455 4.657 50 0 HJAARN COc1ccc(CN(C)Cc2ccc(C(=O)Nc3ccccc3)cc2)c(OC)c1OC ZINC000007813551 569312382 /nfs/dbraw/zinc/31/23/82/569312382.db2.gz QETWIIATWSNKQG-UHFFFAOYSA-N 0 0 420.509 4.597 50 0 HJAARN CC[C@H](C)COC(=O)c1c(N)n([C@H](C)c2ccccc2)c2nc3ccccc3nc12 ZINC000002220863 569312900 /nfs/dbraw/zinc/31/29/00/569312900.db2.gz PGKNGIDFLQGFTC-JKSUJKDBSA-N 0 0 402.498 4.979 50 0 HJAARN CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000007871990 569314940 /nfs/dbraw/zinc/31/49/40/569314940.db2.gz DQEFWPWJODPOPZ-UHFFFAOYSA-N 0 0 410.495 4.517 50 0 HJAARN COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)c(OC)c1OC ZINC000007883997 569315123 /nfs/dbraw/zinc/31/51/23/569315123.db2.gz WTNJBFRZTCELLG-XMMPIXPASA-N 0 0 418.493 4.788 50 0 HJAARN Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)cc1 ZINC000007917119 569321791 /nfs/dbraw/zinc/32/17/91/569321791.db2.gz ZKNOMYGDRVMGCN-FQEVSTJZSA-N 0 0 403.507 4.518 50 0 HJAARN Cc1ccc(C(=O)c2cn(Cc3cccc(C)c3)c3cc4c(cc3c2=O)OCO4)cc1 ZINC000002687695 569322147 /nfs/dbraw/zinc/32/21/47/569322147.db2.gz DDOWBNUYHGTONR-UHFFFAOYSA-N 0 0 411.457 4.626 50 0 HJAARN Cc1ccc(S(=O)(=O)c2c(C(=O)c3ccccc3)cnc3ccc(C)cc32)cc1 ZINC000002693524 569322308 /nfs/dbraw/zinc/32/23/08/569322308.db2.gz JLXCJWDAZPDPHA-UHFFFAOYSA-N 0 0 401.487 4.915 50 0 HJAARN COc1ccc(CCn2c(-c3cccs3)nc3nc4ccccc4nc32)cc1OC ZINC000002245049 569323820 /nfs/dbraw/zinc/32/38/20/569323820.db2.gz BETABRXPFQZILZ-UHFFFAOYSA-N 0 0 416.506 4.968 50 0 HJAARN Cc1nc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(F)cc2)sc1C ZINC000002251122 569323925 /nfs/dbraw/zinc/32/39/25/569323925.db2.gz SYPFIQLWSAWNAF-GOSISDBHSA-N 0 0 406.438 4.755 50 0 HJAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2ccccc2F)cc1 ZINC000002248468 569324396 /nfs/dbraw/zinc/32/43/96/569324396.db2.gz KZKULMRJPQFDSJ-UHFFFAOYSA-N 0 0 404.441 4.680 50 0 HJAARN CCC(=O)N[C@H](Oc1ccc(C=NNc2ccccc2)cc1)C(Cl)(Cl)Cl ZINC000027496366 569325255 /nfs/dbraw/zinc/32/52/55/569325255.db2.gz PKFOKZLFHJYJPS-QGZVFWFLSA-N 0 0 414.720 4.734 50 0 HJAARN COc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)c1 ZINC000002261708 569325359 /nfs/dbraw/zinc/32/53/59/569325359.db2.gz JFYDCWRCEKNEOP-UHFFFAOYSA-N 0 0 421.453 4.769 50 0 HJAARN CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Br)cc1 ZINC000002264033 569325474 /nfs/dbraw/zinc/32/54/74/569325474.db2.gz ZFWMWIUCNBPDOG-UUOWRZLLSA-N 0 0 412.264 4.535 50 0 HJAARN CCCSc1nnc2n1c1sc3c(c1c(=O)n2C1CCCCC1)CCCC3 ZINC000002265946 569325724 /nfs/dbraw/zinc/32/57/24/569325724.db2.gz VUXNJZMENVCKHJ-UHFFFAOYSA-N 0 0 402.589 4.992 50 0 HJAARN CCCSc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)CCCC3 ZINC000002254660 569326211 /nfs/dbraw/zinc/32/62/11/569326211.db2.gz BPBXYJGACXLWLR-UHFFFAOYSA-N 0 0 410.568 4.535 50 0 HJAARN CN(CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)Cc1ccsc1 ZINC000007926935 569327502 /nfs/dbraw/zinc/32/75/02/569327502.db2.gz FGERRKWNYVHKHS-LJQANCHMSA-N 0 0 413.930 4.804 50 0 HJAARN CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12 ZINC000003881697 569356901 /nfs/dbraw/zinc/35/69/01/569356901.db2.gz LXMSZDCAJNLERA-GKVGVCEHSA-N 0 0 416.583 4.852 50 0 biogenic HJAARN COc1ccc(-c2nn(CC(=O)c3ccc(Cl)cc3)c(=O)c3ccccc32)cc1 ZINC000019898036 569357441 /nfs/dbraw/zinc/35/74/41/569357441.db2.gz UXFANSFMWGZXPG-UHFFFAOYSA-N 0 0 404.853 4.608 50 0 HJAARN COc1ccc(CC2=NCCc3cc(OC)c(OCc4ccccc4)cc32)cc1O ZINC000019908473 569357523 /nfs/dbraw/zinc/35/75/23/569357523.db2.gz TZMWHRXDQSKHEL-UHFFFAOYSA-N 0 0 403.478 4.576 50 0 HJAARN CC(C)CCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)CCC3 ZINC000002280948 569363794 /nfs/dbraw/zinc/36/37/94/569363794.db2.gz BLZZLPBSICUCOB-UHFFFAOYSA-N 0 0 410.568 4.722 50 0 HJAARN Cc1nc(-c2cccc(NC(=O)c3cnc(O[C@H]4CCOC4)c(Cl)c3)c2)cs1 ZINC000253407466 569366130 /nfs/dbraw/zinc/36/61/30/569366130.db2.gz WLRXLJPEBFPBGM-INIZCTEOSA-N 0 0 415.902 4.587 50 0 HJAARN Cc1cccc(NC(=O)c2c(N)n(-c3cccc(F)c3)c3nc4ccccc4nc32)c1 ZINC000002290460 569369014 /nfs/dbraw/zinc/36/90/14/569369014.db2.gz DGFCYDCHYAKKSN-UHFFFAOYSA-N 0 0 411.440 4.856 50 0 HJAARN CCOc1ccc([C@H](NC(=O)c2ccccc2OC)c2ccc(OC)c(OC)c2)cc1 ZINC000002291592 569369119 /nfs/dbraw/zinc/36/91/19/569369119.db2.gz QFTDZKAGRXAOOW-DEOSSOPVSA-N 0 0 421.493 4.631 50 0 HJAARN CC1(C)c2cc(Br)ccc2N2CCC(=O)N[C@]21/C=C/c1ccc(F)cc1 ZINC000002298490 569369624 /nfs/dbraw/zinc/36/96/24/569369624.db2.gz YCEPCDDQXQSTFN-FKVRIVCVSA-N 0 0 415.306 4.615 50 0 HJAARN Cc1ccc(-n2c(N)c(C(=O)N[C@H](C)c3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002312569 569373978 /nfs/dbraw/zinc/37/39/78/569373978.db2.gz WFHXSURCGXEWHL-QGZVFWFLSA-N 0 0 421.504 4.955 50 0 HJAARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cc(=O)c2cc(Cl)c(C)cc2o1 ZINC000002343002 569376522 /nfs/dbraw/zinc/37/65/22/569376522.db2.gz QUPNNUVWUGQQCE-UHFFFAOYSA-N 0 0 419.886 4.862 50 0 HJAARN O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)OCc1cn2cc(Cl)ccc2n1 ZINC000017946232 569380779 /nfs/dbraw/zinc/38/07/79/569380779.db2.gz CESMWEQILISMJR-GORDUTHDSA-N 0 0 419.264 4.559 50 0 HJAARN CCC(=O)N(Cc1ccc(OC)cc1)C(=O)CC[C@]1(C(C)C)CCOC(C)(C)C1 ZINC000002357826 569385450 /nfs/dbraw/zinc/38/54/50/569385450.db2.gz KPTQCHDSSLJPRC-DEOSSOPVSA-N 0 0 403.563 4.972 50 0 HJAARN CCOc1ccc(-n2c(N)c(C(=O)OC[C@@H](C)CC)c3nc4ccccc4nc32)cc1 ZINC000002367071 569388257 /nfs/dbraw/zinc/38/82/57/569388257.db2.gz KSNVBBOMGGGKTO-HNNXBMFYSA-N 0 0 418.497 4.758 50 0 HJAARN CC(=O)Nc1ccc(N2CCN(Cc3ccc(Cl)cc3Cl)CC2)c(Cl)c1 ZINC000585655890 569389839 /nfs/dbraw/zinc/38/98/39/569389839.db2.gz FSIKNAZKPUCTAO-UHFFFAOYSA-N 0 0 412.748 4.927 50 0 HJAARN CCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Br)cc1 ZINC000002388815 569392538 /nfs/dbraw/zinc/39/25/38/569392538.db2.gz XPCMLOKOPQEVDL-KOSHJBKYSA-N 0 0 412.264 4.536 50 0 HJAARN CC[C@H](C)COC(=O)c1c(N)n(-c2ccc(C(C)=O)cc2)c2nc3ccccc3nc12 ZINC000002394168 569394132 /nfs/dbraw/zinc/39/41/32/569394132.db2.gz AYFSXOADOVKIHH-AWEZNQCLSA-N 0 0 416.481 4.561 50 0 HJAARN CCn1c(=O)c2cc3c(nc2nc1SCc1ccccc1Cl)CC(C)(C)OC3 ZINC000002394301 569394218 /nfs/dbraw/zinc/39/42/18/569394218.db2.gz ODWIDVJGDLGGOZ-UHFFFAOYSA-N 0 0 415.946 4.608 50 0 HJAARN CCn1c(S[C@@H](C)c2nc(C(C)C)no2)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000027778193 569394275 /nfs/dbraw/zinc/39/42/75/569394275.db2.gz BFLALDSGQHYASC-RYUDHWBXSA-N 0 0 418.588 4.962 50 0 HJAARN CSc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccco2)cc1 ZINC000002407276 569396215 /nfs/dbraw/zinc/39/62/15/569396215.db2.gz DRXFIQWANYJXMJ-FQEVSTJZSA-N 0 0 421.449 4.992 50 0 HJAARN COc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc1 ZINC000002407232 569396229 /nfs/dbraw/zinc/39/62/29/569396229.db2.gz AEFMEPLTHCOGMG-FQEVSTJZSA-N 0 0 421.836 4.793 50 0 HJAARN Cc1csc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(F)cc2)n1 ZINC000002407693 569396409 /nfs/dbraw/zinc/39/64/09/569396409.db2.gz YAABOMIYSXIPLX-GOSISDBHSA-N 0 0 406.438 4.755 50 0 HJAARN COc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)c1 ZINC000002411398 569396848 /nfs/dbraw/zinc/39/68/48/569396848.db2.gz BGOYGWDZGLBOFY-HXUWFJFHSA-N 0 0 421.836 4.793 50 0 HJAARN CC(C)(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000002414551 569397147 /nfs/dbraw/zinc/39/71/47/569397147.db2.gz QZFHWIGNZAQFCY-PGRDOPGGSA-N 0 0 417.505 4.815 50 0 HJAARN CC(C)(C)OC(=O)NCCc1nnc(SCc2c(Cl)cccc2Cl)o1 ZINC000002415447 569397226 /nfs/dbraw/zinc/39/72/26/569397226.db2.gz HZVHJXNNLJDFAR-UHFFFAOYSA-N 0 0 404.319 4.736 50 0 HJAARN Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(Cl)c1)N(C[C@@H]1CCCO1)C3=O ZINC000002421837 569398167 /nfs/dbraw/zinc/39/81/67/569398167.db2.gz SGSOBPFEIVZVFE-LAUBAEHRSA-N 0 0 423.896 4.787 50 0 HJAARN CN(C)c1ccc([C@H](O)[P@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1 ZINC000002439013 569400094 /nfs/dbraw/zinc/40/00/94/569400094.db2.gz SHTXJBNMQKJCIG-RNWIMVQKSA-N 0 0 416.502 4.762 50 0 HJAARN O=S(=O)(c1nc(-c2ccccc2F)oc1N1CCCC1)c1ccc(Cl)cc1 ZINC000012419750 569401221 /nfs/dbraw/zinc/40/12/21/569401221.db2.gz LSPHDAPDVJKXFE-UHFFFAOYSA-N 0 0 406.866 4.567 50 0 HJAARN COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC[C@H]2c2cccnc2)cc1 ZINC000012660783 569402635 /nfs/dbraw/zinc/40/26/35/569402635.db2.gz YIMVSJSXBWYNEU-QHCPKHFHSA-N 0 0 415.493 4.710 50 0 biogenic HJAARN CCN(C(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1ccc(C)cc1)C1CCCCC1 ZINC000012848566 569403974 /nfs/dbraw/zinc/40/39/74/569403974.db2.gz FYIRNHXIPOWFGG-MOHJPFBDSA-N 0 0 420.553 4.956 50 0 HJAARN CCOc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1CC ZINC000002452722 569405395 /nfs/dbraw/zinc/40/53/95/569405395.db2.gz BEMJKIBQZWRNNL-UHFFFAOYSA-N 0 0 416.934 4.748 50 0 HJAARN Cc1cc(C)n(-c2ccc(Nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)nn2)n1 ZINC000013009838 569407051 /nfs/dbraw/zinc/40/70/51/569407051.db2.gz VSQRPRYASLBQAE-UHFFFAOYSA-N 0 0 418.888 4.928 50 0 HJAARN C[C@@H]1C[C@H](C)CN(C(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)C1 ZINC000013011052 569407364 /nfs/dbraw/zinc/40/73/64/569407364.db2.gz JOJPEVHSMWWANQ-BGYRXZFFSA-N 0 0 403.526 4.629 50 0 HJAARN CCCCCCOc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1OC ZINC000013018972 569407446 /nfs/dbraw/zinc/40/74/46/569407446.db2.gz XPXRZZWXHLGVCD-UHFFFAOYSA-N 0 0 403.426 4.777 50 0 HJAARN O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1cc(Cl)cc(Cl)c1 ZINC000013061235 569408334 /nfs/dbraw/zinc/40/83/34/569408334.db2.gz LNGPBFIWJXJXNO-QGZVFWFLSA-N 0 0 407.297 4.540 50 0 HJAARN CCOCCn1c2ccc(F)cc2s/c1=N\C(=O)c1cc(Cl)ccc1Cl ZINC000013065854 569408473 /nfs/dbraw/zinc/40/84/73/569408473.db2.gz NHDMUWOWMCBVML-PYCFMQQDSA-N 0 0 413.301 4.926 50 0 HJAARN C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCN(c2ccccc2Cl)CC1 ZINC000013071427 569408555 /nfs/dbraw/zinc/40/85/55/569408555.db2.gz CWXHMKIYANVBQU-ZDUSSCGKSA-N 0 0 412.748 4.796 50 0 HJAARN CCn1cc([C@@H](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c2cccc(F)c2)c2ccccc21 ZINC000013102043 569409166 /nfs/dbraw/zinc/40/91/66/569409166.db2.gz MJOHGUSTVPKNGW-SVMVAKDDSA-N 0 0 408.517 4.958 50 0 HJAARN CCOC(=O)c1sc(N)c(C(=O)OCC)c1CSc1nc2ccccc2s1 ZINC000013139950 569409875 /nfs/dbraw/zinc/40/98/75/569409875.db2.gz BTQMFCSFGKALRB-UHFFFAOYSA-N 0 0 422.553 4.586 50 0 HJAARN Cc1ccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@H]2c2ccc(F)cc2)cc1C ZINC000002456713 569410734 /nfs/dbraw/zinc/41/07/34/569410734.db2.gz KEVUXZIBUWOYOD-HSZRJFAPSA-N 0 0 406.432 4.766 50 0 HJAARN COCCNC(=O)Nc1cccc(CCc2nc3ccccc3n2-c2ccccc2)c1 ZINC000013348025 569410839 /nfs/dbraw/zinc/41/08/39/569410839.db2.gz SVUUFWLMKBSBDR-UHFFFAOYSA-N 0 0 414.509 4.579 50 0 HJAARN O=c1cc(CSc2nc3ccccc3s2)nc2sc(-c3cccs3)nn21 ZINC000013367540 569412400 /nfs/dbraw/zinc/41/24/00/569412400.db2.gz NTZHERYCTHJAOF-UHFFFAOYSA-N 0 0 414.562 4.782 50 0 HJAARN C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000328593259 569415512 /nfs/dbraw/zinc/41/55/12/569415512.db2.gz UFEHLSQUEYDGHZ-ABAIWWIYSA-N 0 0 413.326 4.741 50 0 HJAARN Cc1csc(N(C(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)C2CC2)n1 ZINC000078869253 569420878 /nfs/dbraw/zinc/42/08/78/569420878.db2.gz QUQAAZSRCOOZAX-UHFFFAOYSA-N 0 0 403.511 4.518 50 0 HJAARN CCc1c(Cl)nc(-c2ccccc2)nc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC000078876149 569421156 /nfs/dbraw/zinc/42/11/56/569421156.db2.gz IHFPLAIPZGGVOJ-UHFFFAOYSA-N 0 0 412.965 4.588 50 0 HJAARN CCN(C(=O)CCc1ncc(-c2ccc(C)cc2)o1)[C@H](COC)Cc1ccccc1 ZINC000078971441 569422541 /nfs/dbraw/zinc/42/25/41/569422541.db2.gz HZMGXVGFMHNXFA-QFIPXVFZSA-N 0 0 406.526 4.689 50 0 HJAARN Cc1nccn1-c1ccc([C@H](C)NC(=O)c2ccc(Br)cc2F)cc1 ZINC000079026686 569424813 /nfs/dbraw/zinc/42/48/13/569424813.db2.gz LIRZXBIYIQSFMP-LBPRGKRZSA-N 0 0 402.267 4.573 50 0 HJAARN C[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000079024803 569424734 /nfs/dbraw/zinc/42/47/34/569424734.db2.gz WRUCMRQUIDWXQE-NWDGAFQWSA-N 0 0 406.269 4.688 50 0 HJAARN COc1ccc(-c2csc3ncnc(N[C@@H](c4nnc5n4CCC5)C(C)C)c23)cc1 ZINC000079063698 569426413 /nfs/dbraw/zinc/42/64/13/569426413.db2.gz GJTXXDZARORPAK-LJQANCHMSA-N 0 0 420.542 4.714 50 0 HJAARN Cn1c(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc2cc(Cl)ccc21 ZINC000079492905 569432644 /nfs/dbraw/zinc/43/26/44/569432644.db2.gz UZMVOGIVKNPWFN-UHFFFAOYSA-N 0 0 403.309 4.609 50 0 HJAARN CC[C@@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000067238939 571051546 /nfs/dbraw/zinc/05/15/46/571051546.db2.gz XRSRTYNWFXMQQA-LLVKDONJSA-N 0 0 422.913 4.527 50 0 HJAARN CC[C@@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccccc1C(C)C ZINC000067239206 571051688 /nfs/dbraw/zinc/05/16/88/571051688.db2.gz PNNSVTIRAWMZRS-OAHLLOKOSA-N 0 0 412.559 4.858 50 0 HJAARN Cc1cc(SCC(=O)NCc2ccccc2Cl)nc(-c2cccc(F)c2)n1 ZINC000067257257 571056902 /nfs/dbraw/zinc/05/69/02/571056902.db2.gz QSBRZQXOSKXRDY-UHFFFAOYSA-N 0 0 401.894 4.653 50 0 HJAARN COc1ccccc1Cn1c(=O)c2ccccc2nc1SCCc1ccccc1 ZINC000067258412 571057618 /nfs/dbraw/zinc/05/76/18/571057618.db2.gz ABORMHXTGRTKSL-UHFFFAOYSA-N 0 0 402.519 4.788 50 0 HJAARN COc1cc(OC)cc(-n2c(=O)c3ccccc3nc2SCc2ccccc2F)c1 ZINC000067258636 571057886 /nfs/dbraw/zinc/05/78/86/571057886.db2.gz NRIXKVMMOJAUBN-UHFFFAOYSA-N 0 0 422.481 4.834 50 0 HJAARN COc1ccc(-n2c(=O)c3ccccc3nc2SCc2ccc(F)cc2)c(OC)c1 ZINC000067258905 571058195 /nfs/dbraw/zinc/05/81/95/571058195.db2.gz FUTBBVXDWICFTN-UHFFFAOYSA-N 0 0 422.481 4.834 50 0 HJAARN Cc1ccc(CSc2ncc3c(n2)-c2ccc(Cl)cc2N(C)S3(=O)=O)cc1 ZINC000067260193 571059224 /nfs/dbraw/zinc/05/92/24/571059224.db2.gz XAADNCKLGINGRW-UHFFFAOYSA-N 0 0 417.943 4.536 50 0 HJAARN Cc1cccc(CSc2ncc3c(n2)-c2cc(Cl)ccc2N(C)S3(=O)=O)c1 ZINC000067260092 571059225 /nfs/dbraw/zinc/05/92/25/571059225.db2.gz PMNPVJPBDOVBRT-UHFFFAOYSA-N 0 0 417.943 4.536 50 0 HJAARN C[C@H](NC(=O)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1)c1ccc(F)cc1 ZINC000067261716 571060240 /nfs/dbraw/zinc/06/02/40/571060240.db2.gz WBXOWBAVKKXFOS-AWEZNQCLSA-N 0 0 421.863 4.613 50 0 HJAARN Cc1ccc(-c2cc3c(N4CCN(c5cc(C)ccc5C)CC4)nccn3n2)c(C)c1 ZINC000067285117 571063994 /nfs/dbraw/zinc/06/39/94/571063994.db2.gz CFOKVZAAMZNKPC-UHFFFAOYSA-N 0 0 411.553 4.957 50 0 HJAARN Cc1ccccc1-c1cc2c(N3CCN(c4cccc(Cl)c4)CC3)nccn2n1 ZINC000067285491 571064080 /nfs/dbraw/zinc/06/40/80/571064080.db2.gz QOAWPPZXHHRHLO-UHFFFAOYSA-N 0 0 403.917 4.685 50 0 HJAARN C[C@@H](Nc1c(C(=O)N2CCOCC2)cnc2ccc(Cl)cc21)c1ccc(F)cc1 ZINC000067288408 571066030 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CCCC[C@H](CC)CNC(=O)c1ccc(-n2nc(C(=O)OCC)cc2C2CC2)cc1 ZINC000022638572 557483304 /nfs/dbraw/zinc/48/33/04/557483304.db2.gz URBDFJZKXNZAOP-KRWDZBQOSA-N 0 0 411.546 4.873 50 0 HJAARN Cc1cccc([C@H]2[C@H](C(=O)NCCc3ccccc3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034924120 557484738 /nfs/dbraw/zinc/48/47/38/557484738.db2.gz WMCVZHPDDXUHLS-FTJBHMTQSA-N 0 0 424.544 4.797 50 0 HJAARN O=C(Nc1c(Cc2ccccc2)nc2ccccn21)c1cccc(Br)c1 ZINC000034913075 557487399 /nfs/dbraw/zinc/48/73/99/557487399.db2.gz PQSGUJPXTHOTPN-UHFFFAOYSA-N 0 0 406.283 4.940 50 0 HJAARN O=C1[C@H](CC[C@@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 ZINC000003810861 557498752 /nfs/dbraw/zinc/49/87/52/557498752.db2.gz OLNTVTPDXPETLC-DNVJHFABSA-N 0 0 409.432 4.888 50 0 in-man HJAARN CCOC(=O)/C=C(\C)N1N=C2c3ccc(OC)cc3CC[C@H]2[C@H]1c1ccc(F)cc1 ZINC000003995298 557504274 /nfs/dbraw/zinc/50/42/74/557504274.db2.gz CNWIOBKOAAZNKJ-AINYZZLYSA-N 0 0 408.473 4.625 50 0 HJAARN CCCCCOc1ccc(C(NC(=O)CCCC)NC(=O)CCCC)cc1OC ZINC000004185768 557526314 /nfs/dbraw/zinc/52/63/14/557526314.db2.gz LCUVQVMVHJPRTF-UHFFFAOYSA-N 0 0 406.567 4.876 50 0 HJAARN CCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000004189474 557526997 /nfs/dbraw/zinc/52/69/97/557526997.db2.gz FWHWYWWWNIDASB-JOCHJYFZSA-N 0 0 408.498 4.627 50 0 HJAARN C[C@@H](NC(=O)NCCCCCCNC(=O)N[C@H](C)c1ccccc1)c1ccccc1 ZINC000004358683 557546034 /nfs/dbraw/zinc/54/60/34/557546034.db2.gz OTHUDWXXFBTNND-WOJBJXKFSA-N 0 0 410.562 4.668 50 0 biogenic HJAARN COc1ccc(-c2noc(CN(C(=O)Nc3cccc(C)c3)C(C)C)n2)cc1OC ZINC000004512819 557562272 /nfs/dbraw/zinc/56/22/72/557562272.db2.gz PHDUVUHFRDZXDQ-UHFFFAOYSA-N 0 0 410.474 4.505 50 0 HJAARN Cc1[nH]c2ccccc2c1[C@@]1(O)c2cc(Cl)ccc2N(Cc2ccccc2)C1=O ZINC000004544067 557565223 /nfs/dbraw/zinc/56/52/23/557565223.db2.gz VUUGHFZXXFTFQA-DEOSSOPVSA-N 0 0 402.881 4.912 50 0 HJAARN C[C@H](C(=O)c1ccccc1)[C@@]1(O)c2ccccc2N(Cc2ccccc2Cl)C1=O ZINC000004555047 557567065 /nfs/dbraw/zinc/56/70/65/557567065.db2.gz WFHDXWIRBHHUKT-VOIUYBSRSA-N 0 0 405.881 4.593 50 0 HJAARN C[C@@H](C(=O)c1ccccc1)[C@]1(O)c2ccccc2N(Cc2ccccc2Cl)C1=O ZINC000004555044 557567092 /nfs/dbraw/zinc/56/70/92/557567092.db2.gz WFHDXWIRBHHUKT-FYSMJZIKSA-N 0 0 405.881 4.593 50 0 HJAARN O=C(Cn1c(COc2ccccc2)nc2ccccc21)NC12CC3CC(CC(C3)C1)C2 ZINC000004624733 557573788 /nfs/dbraw/zinc/57/37/88/557573788.db2.gz XXLNQMPWBQLRDX-UHFFFAOYSA-N 0 0 415.537 4.700 50 0 HJAARN COc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C)c3)c2)cc(OC)c1OC ZINC000004659783 557577199 /nfs/dbraw/zinc/57/71/99/557577199.db2.gz LFTWUAUTEYYBMX-UHFFFAOYSA-N 0 0 420.465 4.525 50 0 HJAARN CCc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)cc1 ZINC000004660859 557577592 /nfs/dbraw/zinc/57/75/92/557577592.db2.gz VZTLRHNPFQMDRO-UHFFFAOYSA-N 0 0 401.484 4.670 50 0 HJAARN O=C(COc1cccc2ccccc21)Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000004666562 557578763 /nfs/dbraw/zinc/57/87/63/557578763.db2.gz SEFDBVOBXKILFE-UHFFFAOYSA-N 0 0 410.473 4.787 50 0 HJAARN COc1ccc(N2C(=O)[C@@H](OCc3ccccc3)[C@H]2C2=C(C)C[C@H]3[C@@H]2C3(C)C)cc1 ZINC000004671243 557579735 /nfs/dbraw/zinc/57/97/35/557579735.db2.gz ZEMGHTNDLJHOHA-XGAJZPNHSA-N 0 0 403.522 4.988 50 0 HJAARN CC(C)c1ccc(OCc2nnc(SCC(=O)N[C@H]3CCCC[C@H]3C)o2)cc1 ZINC000004682006 557580720 /nfs/dbraw/zinc/58/07/20/557580720.db2.gz XTWZRTGQQVODNX-QAPCUYQASA-N 0 0 403.548 4.559 50 0 HJAARN Cc1nc2ccc(NS(=O)(=O)c3ccc4oc5ccccc5c4c3)cc2nc1C ZINC000004698125 557582798 /nfs/dbraw/zinc/58/27/98/557582798.db2.gz VKCXFHWMBUFKHY-UHFFFAOYSA-N 0 0 403.463 4.947 50 0 HJAARN COc1cc(C)ccc1OCCCCOc1ccc(I)cc1 ZINC000004702054 557584062 /nfs/dbraw/zinc/58/40/62/557584062.db2.gz RRXQGIBJXGJTNK-UHFFFAOYSA-N 0 0 412.267 4.846 50 0 HJAARN Cc1ccc(N2C(=O)[C@@H](CC(=O)Nc3cccc(F)c3)N(C3CCCCC3)C2=O)cc1 ZINC000004704153 557584524 /nfs/dbraw/zinc/58/45/24/557584524.db2.gz PTRRKGCJUJZKSW-OAQYLSRUSA-N 0 0 423.488 4.633 50 0 HJAARN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(F)cc4)cc3n2)cc1Cl ZINC000004723351 557586738 /nfs/dbraw/zinc/58/67/38/557586738.db2.gz YHSBPARYJYYXOJ-UHFFFAOYSA-N 0 0 410.836 4.782 50 0 HJAARN CN(C)c1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)cc1 ZINC000004853923 557606649 /nfs/dbraw/zinc/60/66/49/557606649.db2.gz IDNPDJUMNFBNLJ-LOSJGSFVSA-N 0 0 421.504 4.557 50 0 HJAARN Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccccc2F)cc1C ZINC000004891094 557610398 /nfs/dbraw/zinc/61/03/98/557610398.db2.gz IHMKLOQBPNNMMJ-BKUYFWCQSA-N 0 0 408.498 4.591 50 0 HJAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)cc1 ZINC000004959756 557617398 /nfs/dbraw/zinc/61/73/98/557617398.db2.gz OSJGKVJSYMORHY-UHFFFAOYSA-N 0 0 415.522 4.677 50 0 HJAARN CCCCOc1c(Cl)cc([C@H]2NC(=S)N=C(C)C2C(=O)OCC)cc1Cl ZINC000005027765 557627349 /nfs/dbraw/zinc/62/73/49/557627349.db2.gz DKNADOCHCBUTQA-OAHLLOKOSA-N 0 0 417.358 4.528 50 0 HJAARN CCCOc1c(Br)cc(/C=C2\N=C(c3ccccc3)OC2=O)cc1OC ZINC000005052265 557630720 /nfs/dbraw/zinc/63/07/20/557630720.db2.gz HKXCWEPJMPFLAK-WJDWOHSUSA-N 0 0 416.271 4.591 50 0 HJAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)NCc2ccc(C)cc2)c1C ZINC000005053986 557631138 /nfs/dbraw/zinc/63/11/38/557631138.db2.gz VXCVZZWZCYWGCU-UHFFFAOYSA-N 0 0 404.510 4.573 50 0 HJAARN CCCOc1ccc(C(=O)Nc2cc(-c3nn4c(CC)nnc4s3)ccc2C)cc1 ZINC000005068925 557634039 /nfs/dbraw/zinc/63/40/39/557634039.db2.gz VGAQGPYGEUYDFW-UHFFFAOYSA-N 0 0 421.526 4.765 50 0 HJAARN CCOc1ccc(NC(=O)Nc2nnc(SCCOc3ccccc3)s2)cc1 ZINC000005102410 557636189 /nfs/dbraw/zinc/63/61/89/557636189.db2.gz BDFGFHCXEMJHDL-UHFFFAOYSA-N 0 0 416.528 4.752 50 0 HJAARN Cc1cc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccc(F)cc2)no1 ZINC000005303853 557644254 /nfs/dbraw/zinc/64/42/54/557644254.db2.gz ISHFZFRDNPIXAT-HXUWFJFHSA-N 0 0 404.397 4.595 50 0 HJAARN Cc1ccc(C)c(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)c1 ZINC000005379955 557649683 /nfs/dbraw/zinc/64/96/83/557649683.db2.gz VIUILAJMMBREIR-NRFANRHFSA-N 0 0 407.514 4.859 50 0 biogenic HJAARN CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccccc2)sc2c1CC[C@H](CC)C2 ZINC000022654305 557655376 /nfs/dbraw/zinc/65/53/76/557655376.db2.gz ZGFWMZIRKLNRTI-CABCVRRESA-N 0 0 401.528 4.846 50 0 HJAARN CCOC(=O)N[C@H](Nc1cc(C(F)(F)F)ccc1Cl)C(=O)c1ccccc1 ZINC000005473167 557655577 /nfs/dbraw/zinc/65/55/77/557655577.db2.gz IQSVTLIUIOFXFD-INIZCTEOSA-N 0 0 400.784 4.726 50 0 HJAARN O=C(NC(=S)Nc1ccc(Br)cc1)c1ccc(Cl)cc1Cl ZINC000005581003 557663403 /nfs/dbraw/zinc/66/34/03/557663403.db2.gz RUOBNTZHBICMEG-UHFFFAOYSA-N 0 0 404.116 4.883 50 0 HJAARN O=C(COC(=O)c1ccc(COc2ccccc2)o1)Nc1cccc(Cl)c1Cl ZINC000010563951 557681985 /nfs/dbraw/zinc/68/19/85/557681985.db2.gz HYHKGGFFFFQWBG-UHFFFAOYSA-N 0 0 420.248 4.961 50 0 HJAARN CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(Cl)cc2)c(C(=O)OCC)c1C ZINC000006547879 557707512 /nfs/dbraw/zinc/70/75/12/557707512.db2.gz UCZVGMXDUUQRLX-DHZHZOJOSA-N 0 0 421.902 4.715 50 0 HJAARN O=C(Nc1ccccc1)OCCN(CCOC(=O)Nc1ccccc1)c1ccccc1 ZINC000006659273 557712527 /nfs/dbraw/zinc/71/25/27/557712527.db2.gz IMCPKHHZQQWQIG-UHFFFAOYSA-N 0 0 419.481 4.990 50 0 HJAARN COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc(Cl)c1OCc1ccccc1 ZINC000006662199 557712753 /nfs/dbraw/zinc/71/27/53/557712753.db2.gz GXJKIMMTFCVIFZ-UHFFFAOYSA-N 0 0 409.873 4.709 50 0 HJAARN C[C@@H](C(=O)Nc1ccc(Cl)cc1)n1nc(-c2ccccc2)c2c(c1=O)CCCC2 ZINC000006767338 557720373 /nfs/dbraw/zinc/72/03/73/557720373.db2.gz SBBNAKZETNPSPA-HNNXBMFYSA-N 0 0 407.901 4.642 50 0 HJAARN CCN(CC)c1cc(C(C)C)nc(SCc2ccc(C(=O)N3CCCC3)cc2)n1 ZINC000006874901 557727845 /nfs/dbraw/zinc/72/78/45/557727845.db2.gz JXEYXZLQRSCWFZ-UHFFFAOYSA-N 0 0 412.603 4.975 50 0 HJAARN C[C@@H](CNc1nc2ccc(C(=O)c3ccccc3)cc2n2cnnc12)c1ccccc1 ZINC000006901628 557729509 /nfs/dbraw/zinc/72/95/09/557729509.db2.gz HADIBPGHQOCCOX-KRWDZBQOSA-N 0 0 407.477 4.724 50 0 HJAARN Cc1ccc(CN2c3ccccc3[C@]3(SCC(=O)N3c3ccc(F)cc3)C2=O)cc1 ZINC000006997099 557732729 /nfs/dbraw/zinc/73/27/29/557732729.db2.gz KEPVRCMLLDRDBQ-DEOSSOPVSA-N 0 0 418.493 4.614 50 0 HJAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(O)c2)N1Cc1ccccc1Cl ZINC000002703987 557743054 /nfs/dbraw/zinc/74/30/54/557743054.db2.gz MKUNBSPNOSMVJN-NRFANRHFSA-N 0 0 417.848 4.897 50 0 HJAARN COc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)c1 ZINC000002703880 557743107 /nfs/dbraw/zinc/74/31/07/557743107.db2.gz BTBMQHMEWWJQQT-IBGZPJMESA-N 0 0 418.474 4.625 50 0 HJAARN CCCCSc1nnc(CSc2ncccn2)n1-c1ccc(OCC)cc1 ZINC000002706121 557743734 /nfs/dbraw/zinc/74/37/34/557743734.db2.gz CFRYUULNLWBJIL-UHFFFAOYSA-N 0 0 401.561 4.641 50 0 HJAARN CC[C@H](C)Sc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(F)cc1 ZINC000002706384 557743881 /nfs/dbraw/zinc/74/38/81/557743881.db2.gz BWLJULQKPXUEKR-AWEZNQCLSA-N 0 0 403.552 4.996 50 0 HJAARN O=S(=O)(c1ccc2ccccc2c1)N1CCN=C1SCc1ccccc1Cl ZINC000002711612 557745173 /nfs/dbraw/zinc/74/51/73/557745173.db2.gz AZAFQPKSXLMSDQ-UHFFFAOYSA-N 0 0 416.955 4.787 50 0 HJAARN CCCOC(=O)c1c2c(sc1NC(=O)c1ccc3c(c1)OCO3)CCCCC2 ZINC000002739859 557752370 /nfs/dbraw/zinc/75/23/70/557752370.db2.gz OHALINUJOXUXPV-UHFFFAOYSA-N 0 0 401.484 4.565 50 0 HJAARN Cc1ccc(C(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@H]2c2ccc(F)cc2)cc1 ZINC000002724539 557753073 /nfs/dbraw/zinc/75/30/73/557753073.db2.gz VTCZMCYHTCYZMG-JOCHJYFZSA-N 0 0 408.860 4.971 50 0 HJAARN Cc1sc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c(C(N)=O)c1-c1ccccc1 ZINC000002761031 557755356 /nfs/dbraw/zinc/75/53/56/557755356.db2.gz CGOHHBNXFWGIBH-LBPRGKRZSA-N 0 0 414.914 4.882 50 0 HJAARN C[C@@]1(C(=O)NC(c2ccccc2)c2ccccc2)CC1(Br)Br ZINC000002755300 557758028 /nfs/dbraw/zinc/75/80/28/557758028.db2.gz LJBLMRZTIJCXFB-KRWDZBQOSA-N 0 0 423.148 4.788 50 0 HJAARN FC(F)(F)COCc1ccc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)cc1 ZINC000002788166 557759403 /nfs/dbraw/zinc/75/94/03/557759403.db2.gz OVFJVQUUGHPZMH-UHFFFAOYSA-N 0 0 418.444 4.964 50 0 HJAARN CCOc1ccccc1N1C(=S)N=NC1c1cccc(OC(F)(F)C(F)F)c1 ZINC000002793126 557764567 /nfs/dbraw/zinc/76/45/67/557764567.db2.gz OYHKBWLMBSKHSN-UHFFFAOYSA-N 0 0 413.396 4.858 50 0 HJAARN COc1ccc(C(=O)CSc2nnc(-c3ccncc3)n2C2CCCCC2)cc1 ZINC000008297901 557780373 /nfs/dbraw/zinc/78/03/73/557780373.db2.gz MSPXIXOUYWVJDB-UHFFFAOYSA-N 0 0 408.527 4.829 50 0 HJAARN Cc1csc(NC(=O)CSc2nnc(-c3ccccc3)n2C2CCCCC2)n1 ZINC000008297976 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Cc1ccc(C(=O)NCCc2csc3nc(-c4ccc(Cl)cc4)nn23)cc1C ZINC000004374666 558475501 /nfs/dbraw/zinc/47/55/01/558475501.db2.gz VMQHAARQNIPVKP-UHFFFAOYSA-N 0 0 410.930 4.701 50 0 HJAARN CCOc1c(Cl)cc(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc1OC ZINC000012819987 558476703 /nfs/dbraw/zinc/47/67/03/558476703.db2.gz ITSVIIJKKDHZLY-ZDUSSCGKSA-N 0 0 423.966 4.688 50 0 HJAARN CCc1ccc(NC(=O)CSC2=N[C@@H](C(F)(F)F)C[C@H](c3ccccc3)N2)cc1 ZINC000012848173 558479178 /nfs/dbraw/zinc/47/91/78/558479178.db2.gz PQUAZNYYMOYQGO-QZTJIDSGSA-N 0 0 421.488 4.942 50 0 HJAARN CCN(Cc1ccc(Br)s1)Cc1nc(-c2cccc(OC)c2)no1 ZINC000012856579 558480537 /nfs/dbraw/zinc/48/05/37/558480537.db2.gz NVLYYUULSPZKQG-UHFFFAOYSA-N 0 0 408.321 4.591 50 0 HJAARN Cc1cccc(OCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)c1 ZINC000004384986 558482462 /nfs/dbraw/zinc/48/24/62/558482462.db2.gz FZYFUIKFLFDHEJ-UHFFFAOYSA-N 0 0 405.542 4.663 50 0 HJAARN Cc1ccccc1OCCn1c(CCNC(=O)C2CCCCC2)nc2ccccc21 ZINC000004384985 558482514 /nfs/dbraw/zinc/48/25/14/558482514.db2.gz BKINXBICAOWKTF-UHFFFAOYSA-N 0 0 405.542 4.663 50 0 aggregator HJAARN CN(C)[C@@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccco1 ZINC000022381630 558484743 /nfs/dbraw/zinc/48/47/43/558484743.db2.gz BRYSAOUPWXDNEP-INIZCTEOSA-N 0 0 422.312 4.593 50 0 HJAARN Cc1nc(-c2ccccc2)sc1CCNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000004392339 558484848 /nfs/dbraw/zinc/48/48/48/558484848.db2.gz VBLDVUVARZCSGU-UHFFFAOYSA-N 0 0 412.580 4.518 50 0 HJAARN COc1ccc([C@@H]2CCCN2C(=O)CSc2nc3ccccc3s2)cc1OC ZINC000022456976 558490173 /nfs/dbraw/zinc/49/01/73/558490173.db2.gz MMVXEEUZEAJBTP-INIZCTEOSA-N 0 0 414.552 4.769 50 0 HJAARN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2c(F)cccc2Cl)c1 ZINC000012975413 558491014 /nfs/dbraw/zinc/49/10/14/558491014.db2.gz NRYXIMOZXFCUOJ-UHFFFAOYSA-N 0 0 418.925 4.757 50 0 HJAARN O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012976464 558491591 /nfs/dbraw/zinc/49/15/91/558491591.db2.gz NSDLREZIKZQQAZ-JRUMVTRASA-N 0 0 404.913 4.625 50 0 HJAARN Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](C)c1ccccc1Br ZINC000012980832 558493403 /nfs/dbraw/zinc/49/34/03/558493403.db2.gz CRAGPYZGAUEIDZ-LLVKDONJSA-N 0 0 402.317 4.767 50 0 HJAARN CC1CCN(Cc2csc(NC(=O)c3ccc(Br)cc3F)n2)CC1 ZINC000012980703 558493418 /nfs/dbraw/zinc/49/34/18/558493418.db2.gz OHDGMRCHMAGDRU-UHFFFAOYSA-N 0 0 412.328 4.529 50 0 HJAARN O=C(NCc1ccccc1OC(F)(F)F)c1cccc(OCc2cscn2)c1 ZINC000012988700 558496054 /nfs/dbraw/zinc/49/60/54/558496054.db2.gz QQEUMXBSVLQENC-UHFFFAOYSA-N 0 0 408.401 4.551 50 0 HJAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)c(C)c3)C2)c2ccccc12 ZINC000012995587 558498618 /nfs/dbraw/zinc/49/86/18/558498618.db2.gz DRPUDAQXKUFCML-LJQANCHMSA-N 0 0 416.521 4.956 50 0 HJAARN COc1cc(OC)c(NC(=O)c2cccc(OCc3csc(C)n3)c2)cc1Cl ZINC000012995709 558498628 /nfs/dbraw/zinc/49/86/28/558498628.db2.gz DSVSCIRJQALFGF-UHFFFAOYSA-N 0 0 418.902 4.953 50 0 HJAARN COC(=O)c1ccc(C)c(NC(=O)c2cc(Cl)c(OCC(C)C)c(OC)c2)c1 ZINC000013000053 558500099 /nfs/dbraw/zinc/50/00/99/558500099.db2.gz XXPTYAAYLKJPCA-UHFFFAOYSA-N 0 0 405.878 4.731 50 0 HJAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)c1cnn(-c2ccccc2F)c1C ZINC000013005468 558501783 /nfs/dbraw/zinc/50/17/83/558501783.db2.gz YNFUIDLYIAOHPI-UHFFFAOYSA-N 0 0 403.461 4.683 50 0 HJAARN Cc1ccccc1Cn1c(CCCNC(=O)COc2ccccc2)nc2ccccc21 ZINC000013031041 558505310 /nfs/dbraw/zinc/50/53/10/558505310.db2.gz BBFVOROEHOGZLI-UHFFFAOYSA-N 0 0 413.521 4.521 50 0 HJAARN Cc1cc(C(=O)COC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1nccs1 ZINC000013057550 558509177 /nfs/dbraw/zinc/50/91/77/558509177.db2.gz ZYPLRMVUGYITSO-UHFFFAOYSA-N 0 0 420.943 4.722 50 0 HJAARN Cc1cc(C2=NNC(=Nc3ccccc3Cl)SC2)c(C)n1C[C@H]1CCCO1 ZINC000013063234 558510538 /nfs/dbraw/zinc/51/05/38/558510538.db2.gz DGEJZIADVYHFLB-OAHLLOKOSA-N 0 0 402.951 4.856 50 0 HJAARN Cc1cc(Br)cc(Br)c1OCC(=O)Nc1cccc(F)c1 ZINC000013101398 558514478 /nfs/dbraw/zinc/51/44/78/558514478.db2.gz WDPYRFRBXKTXSE-UHFFFAOYSA-N 0 0 417.072 4.677 50 0 HJAARN O=C(CNc1ccccc1Oc1ccccc1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000013120203 558516965 /nfs/dbraw/zinc/51/69/65/558516965.db2.gz BMABMNBSXPRLNO-UHFFFAOYSA-N 0 0 419.872 4.764 50 0 HJAARN C[C@H](Sc1nnc(Cc2cccs2)n1C)C(=O)c1ccc(Br)cc1 ZINC000013120832 558517040 /nfs/dbraw/zinc/51/70/40/558517040.db2.gz KOQXBZPYQGSMKW-NSHDSACASA-N 0 0 422.373 4.593 50 0 HJAARN COc1ccc(-c2nnc(SCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)n2C(C)C)cc1 ZINC000013141690 558522134 /nfs/dbraw/zinc/52/21/34/558522134.db2.gz CGWADCOPMBSDNQ-TXPKVOOTSA-N 0 0 416.591 4.568 50 0 HJAARN C[C@@H]1CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)C[C@H](C)O1 ZINC000013143237 558522456 /nfs/dbraw/zinc/52/24/56/558522456.db2.gz HFDQYYVFVKIRDR-CALCHBBNSA-N 0 0 402.473 4.840 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)c1sc2nc(-c3cccnc3)ccc2c1N ZINC000013228290 558527428 /nfs/dbraw/zinc/52/74/28/558527428.db2.gz NTEZULGGQOFLDL-UHFFFAOYSA-N 0 0 410.886 4.855 50 0 HJAARN COc1ccc2[nH]c(SCC(=O)NC(c3ccccc3)c3ccccc3)nc2c1 ZINC000013284553 558529087 /nfs/dbraw/zinc/52/90/87/558529087.db2.gz NFHGYOISXIPWFO-UHFFFAOYSA-N 0 0 403.507 4.569 50 0 HJAARN Cc1sc(NC(=O)Cc2ccc(Cl)cc2)c(C(=O)NCc2cccnc2)c1C ZINC000013325393 558530161 /nfs/dbraw/zinc/53/01/61/558530161.db2.gz KLCSHKZPRPZVQJ-UHFFFAOYSA-N 0 0 413.930 4.525 50 0 HJAARN O=C(NC1CCCCCC1)C1CCN(c2nc3ccccc3nc2C(F)(F)F)CC1 ZINC000064819052 558531225 /nfs/dbraw/zinc/53/12/25/558531225.db2.gz PTNVDYVVUWUBFX-UHFFFAOYSA-N 0 0 420.479 4.704 50 0 HJAARN Cc1noc(C)c1CSc1ncccc1C(=O)OCCCC(=O)c1cccs1 ZINC000023076904 558533253 /nfs/dbraw/zinc/53/32/53/558533253.db2.gz XRRRJLCZDSNPJT-UHFFFAOYSA-N 0 0 416.524 4.860 50 0 HJAARN COC(=O)c1ccc(OCc2coc(-c3ccc(F)cc3)n2)c(Br)c1 ZINC000023075033 558533271 /nfs/dbraw/zinc/53/32/71/558533271.db2.gz RYMJAUXRZYXDKM-UHFFFAOYSA-N 0 0 406.207 4.609 50 0 HJAARN COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4[C@H](C)CCC[C@@H]4C)c3n2)cc1 ZINC000013482239 558534198 /nfs/dbraw/zinc/53/41/98/558534198.db2.gz AJTBTGKIQPMDRG-OKILXGFUSA-N 0 0 414.456 4.746 50 0 HJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000013510533 558535372 /nfs/dbraw/zinc/53/53/72/558535372.db2.gz YTAVVOCPAQPSIP-NJDAHSKKSA-N 0 0 422.843 4.530 50 0 HJAARN N=c1oc2c(Br)cc(Br)cc2cc1C(=O)Nc1ccccc1 ZINC000013513013 558536163 /nfs/dbraw/zinc/53/61/63/558536163.db2.gz IKCSTLXPCUBMBQ-UHFFFAOYSA-N 0 0 422.076 4.690 50 0 HJAARN O=C(Cc1ccccc1)Nc1nc(-c2cccs2)c(NC(=O)c2ccco2)s1 ZINC000013549725 558538791 /nfs/dbraw/zinc/53/87/91/558538791.db2.gz KSIAREHZNRZRLF-UHFFFAOYSA-N 0 0 409.492 4.898 50 0 HJAARN C[C@@H](Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)NCc1ccco1 ZINC000013554642 558539793 /nfs/dbraw/zinc/53/97/93/558539793.db2.gz MFAZDBZECVQQAO-CQSZACIVSA-N 0 0 423.852 4.790 50 0 HJAARN COc1ccccc1NC(=S)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000013556491 558540094 /nfs/dbraw/zinc/54/00/94/558540094.db2.gz IJLFPQDXCYIPKB-UHFFFAOYSA-N 0 0 417.578 4.799 50 0 HJAARN CCOC(=O)c1cc(CC)sc1NC(=O)Cc1csc(-c2ccsc2)n1 ZINC000023199791 558542389 /nfs/dbraw/zinc/54/23/89/558542389.db2.gz QKAXAYNLJNLVER-UHFFFAOYSA-N 0 0 406.554 4.853 50 0 HJAARN O=C(c1csc(Nc2cccc3ccccc32)n1)N(CCO)Cc1ccccc1 ZINC000023213140 558542553 /nfs/dbraw/zinc/54/25/53/558542553.db2.gz LFYFHMIYYBIHQD-UHFFFAOYSA-N 0 0 403.507 4.675 50 0 HJAARN CCCCC(=O)Nc1cccc(-c2cc(C(=O)OCC)nn2-c2ccc(F)cc2)c1 ZINC000023332792 558549489 /nfs/dbraw/zinc/54/94/89/558549489.db2.gz JASCVPNPESOTRM-UHFFFAOYSA-N 0 0 409.461 4.984 50 0 HJAARN COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000013631123 558552315 /nfs/dbraw/zinc/55/23/15/558552315.db2.gz ZKBKLUGYAYOBMV-SFHVURJKSA-N 0 0 418.493 4.673 50 0 HJAARN COCc1nn2c(ncc3c2C[C@H](c2ccco2)CC3=O)c1-c1cccc(Cl)c1 ZINC000013638357 558554990 /nfs/dbraw/zinc/55/49/90/558554990.db2.gz UHHCYLXQHLHVJM-AWEZNQCLSA-N 0 0 407.857 4.702 50 0 HJAARN Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3ccc4c(C)cc(=O)oc4c3)c12 ZINC000013641942 558556008 /nfs/dbraw/zinc/55/60/08/558556008.db2.gz KAMYVAGMGFZMGU-UHFFFAOYSA-N 0 0 417.446 4.927 50 0 HJAARN Cc1cc(C(=O)COc2ccc3ccc(=O)oc3c2)c(C)n1CCc1ccc(F)cc1 ZINC000004434987 558558305 /nfs/dbraw/zinc/55/83/05/558558305.db2.gz RJGXRQSYSVWBBD-UHFFFAOYSA-N 0 0 419.452 4.855 50 0 HJAARN COc1ccccc1-c1coc2c(ccc3c2CN(CCc2ccccc2)CO3)c1=O ZINC000013655712 558558827 /nfs/dbraw/zinc/55/88/27/558558827.db2.gz ZDKRBJPEUCIYRO-UHFFFAOYSA-N 0 0 413.473 4.863 50 0 biogenic HJAARN FC(F)(F)c1cnc(N2CCCN(C(=S)Nc3ccccc3)CC2)c(Cl)c1 ZINC000013656596 558559215 /nfs/dbraw/zinc/55/92/15/558559215.db2.gz LLABXOYGKIUMRT-UHFFFAOYSA-N 0 0 414.884 4.663 50 0 HJAARN C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000023499464 558560230 /nfs/dbraw/zinc/56/02/30/558560230.db2.gz XSBHIPIHJUUJKL-HTAPYJJXSA-N 0 0 406.913 4.559 50 0 HJAARN COc1ccc(CC[NH2+]Cc2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)cc1OC ZINC000013687870 558570563 /nfs/dbraw/zinc/57/05/63/558570563.db2.gz OSHVKUVUYJLWPO-UHFFFAOYSA-N 0 0 415.873 4.648 50 0 HJAARN COc1cccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccc4nccnc4c3)C2)c1 ZINC000013691241 558573179 /nfs/dbraw/zinc/57/31/79/558573179.db2.gz UWNLBXJYRMSPNE-NRFANRHFSA-N 0 0 414.490 4.691 50 0 HJAARN COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccncc4)cc3c2C)cc1OC ZINC000013693705 558574829 /nfs/dbraw/zinc/57/48/29/558574829.db2.gz WTSBESSLSFSXCO-UHFFFAOYSA-N 0 0 416.433 4.637 50 0 HJAARN CCCC1(CCC)NC(=O)N(CC(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)C1=O ZINC000023763523 558575222 /nfs/dbraw/zinc/57/52/22/558575222.db2.gz RVAIPRWRAXCITE-UHFFFAOYSA-N 0 0 423.513 4.617 50 0 HJAARN O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCN(Cc2ccsc2)CC1 ZINC000023956256 558582422 /nfs/dbraw/zinc/58/24/22/558582422.db2.gz RBLVIIYEGHMVNW-UHFFFAOYSA-N 0 0 403.507 4.514 50 0 HJAARN O=c1c2sc3nc(-c4ccco4)c4c(c3c2ncn1CCc1ccccc1)CCC4 ZINC000013726515 558584622 /nfs/dbraw/zinc/58/46/22/558584622.db2.gz WPHAKIPGMIJMHO-UHFFFAOYSA-N 0 0 413.502 4.998 50 0 HJAARN COc1ccc(OC)c(C(=O)c2oc3ccc(NC(=O)c4ccncc4)cc3c2C)c1 ZINC000013732554 558587097 /nfs/dbraw/zinc/58/70/97/558587097.db2.gz IFGJQGJEUFWXMS-UHFFFAOYSA-N 0 0 416.433 4.637 50 0 HJAARN CC(C)Cc1cc(-c2nn3c(CSc4ccc(Cl)cc4)nnc3s2)n[nH]1 ZINC000013736544 558588825 /nfs/dbraw/zinc/58/88/25/558588825.db2.gz SDVJGFDZPMKPSH-UHFFFAOYSA-N 0 0 404.952 4.720 50 0 HJAARN COc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2cccc(C)c2)CC1=O ZINC000013750563 558589591 /nfs/dbraw/zinc/58/95/91/558589591.db2.gz LUCFPIPCOQPUBK-HXUWFJFHSA-N 0 0 411.505 4.922 50 0 HJAARN CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccccc1Oc1ccccc1 ZINC000024191550 558591406 /nfs/dbraw/zinc/59/14/06/558591406.db2.gz NGRCLENOICHTOB-UHFFFAOYSA-N 0 0 402.494 4.588 50 0 HJAARN Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)Oc1ccc(F)c2c1C(=O)C[C@H]2C ZINC000024222276 558592594 /nfs/dbraw/zinc/59/25/94/558592594.db2.gz OLWGLUQROPMFCU-CYBMUJFWSA-N 0 0 423.488 4.996 50 0 HJAARN O=c1/c(=C\c2ccc(Sc3ccc(Cl)cc3)o2)sc2nc3ccccc3n12 ZINC000013810306 558595377 /nfs/dbraw/zinc/59/53/77/558595377.db2.gz JBYNKKWVONNKTB-GZTJUZNOSA-N 0 0 410.907 4.855 50 0 HJAARN Cc1noc(C)c1COc1ccc(C(=O)O[C@@H](C)C(=O)c2ccc3c(c2)CCC3)cc1 ZINC000004463813 558596836 /nfs/dbraw/zinc/59/68/36/558596836.db2.gz YABPIHKYNNYJNA-KRWDZBQOSA-N 0 0 419.477 4.787 50 0 HJAARN Cc1[nH]c2ccccc2c1C(=O)N1CCN([C@@H](C)c2nc3ccccc3s2)CC1 ZINC000024398262 558597200 /nfs/dbraw/zinc/59/72/00/558597200.db2.gz JJNHWHKOFCBDAK-INIZCTEOSA-N 0 0 404.539 4.605 50 0 HJAARN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000024460528 558598201 /nfs/dbraw/zinc/59/82/01/558598201.db2.gz IKQZQNCSLDFTIO-KGLIPLIRSA-N 0 0 409.313 4.658 50 0 HJAARN COc1cccc(OC)c1C(=O)Nc1cc2nn(-c3ccc(Cl)cc3)nc2cc1C ZINC000013856274 558598273 /nfs/dbraw/zinc/59/82/73/558598273.db2.gz KMVABEXGTUSTLG-UHFFFAOYSA-N 0 0 422.872 4.652 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)C12C[C@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2 ZINC000013882210 558599901 /nfs/dbraw/zinc/59/99/01/558599901.db2.gz WLQXDTFHUSSCJW-LWYUSKRHSA-N 0 0 405.329 4.828 50 0 HJAARN CN(C)c1ccc(-c2nnc3sc(COc4ccc(Cl)cc4Cl)nn32)cc1 ZINC000013956986 558607892 /nfs/dbraw/zinc/60/78/92/558607892.db2.gz GICWNOJVXAOIGS-UHFFFAOYSA-N 0 0 420.325 4.805 50 0 HJAARN O=C(CCSc1ccc(F)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000024776702 558612354 /nfs/dbraw/zinc/61/23/54/558612354.db2.gz ZZNGNEXZGGRIMM-LJQANCHMSA-N 0 0 401.503 4.833 50 0 HJAARN COc1cc(C)c(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCCC3)cc1OC ZINC000014050394 558615485 /nfs/dbraw/zinc/61/54/85/558615485.db2.gz GXQHBGCMIHLZIO-UHFFFAOYSA-N 0 0 423.488 4.858 50 0 HJAARN COc1cccc(-c2nc(C(=O)N[C@@H](C)c3ccccc3Cl)cs2)c1OC ZINC000024835713 558616072 /nfs/dbraw/zinc/61/60/72/558616072.db2.gz MDJAOVDMFOVFER-LBPRGKRZSA-N 0 0 402.903 4.972 50 0 HJAARN CCCCCn1nc(C(=O)N(Cc2ccc(F)cc2)C2CC2)c2ccccc2c1=O ZINC000014067692 558617050 /nfs/dbraw/zinc/61/70/50/558617050.db2.gz AWKBGMPFACZGOU-UHFFFAOYSA-N 0 0 407.489 4.531 50 0 HJAARN O=C(COc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F ZINC000010964827 558618311 /nfs/dbraw/zinc/61/83/11/558618311.db2.gz CVWICCMBKCSWRZ-UHFFFAOYSA-N 0 0 404.344 4.568 50 0 HJAARN COc1ccccc1-c1noc(CSc2nnc(-c3cccs3)n2C2CC2)n1 ZINC000014110076 558620788 /nfs/dbraw/zinc/62/07/88/558620788.db2.gz LLYNDRRDTDRVDE-UHFFFAOYSA-N 0 0 411.512 4.692 50 0 HJAARN O=C(NCc1ccccc1)c1ccccc1OCc1nc(-c2ccc(Cl)cc2)no1 ZINC000014128938 558623546 /nfs/dbraw/zinc/62/35/46/558623546.db2.gz TVHSZFHMJDDTBK-UHFFFAOYSA-N 0 0 419.868 4.899 50 0 HJAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000014129272 558623693 /nfs/dbraw/zinc/62/36/93/558623693.db2.gz DBACIWBXENVOPC-UHFFFAOYSA-N 0 0 420.412 4.781 50 0 HJAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000024986160 558625080 /nfs/dbraw/zinc/62/50/80/558625080.db2.gz LJPQRNDINNBGBH-HUUCEWRRSA-N 0 0 412.481 4.544 50 0 HJAARN C[C@@H]1CC2(CCCC2)N2C(=O)[C@@]3(NCCc4c5ccccc5[nH]c43)c3cc(F)cc1c32 ZINC000014162429 558626337 /nfs/dbraw/zinc/62/63/37/558626337.db2.gz NIYJZVRPYNEMJD-PVPMGCCUSA-N 0 0 415.512 4.863 50 0 biogenic HJAARN Cn1c(Cc2ccccc2)nnc1Sc1nc(-c2cccnc2)nc2ccccc21 ZINC000025048601 558628196 /nfs/dbraw/zinc/62/81/96/558628196.db2.gz PROQTBPFDAZGDY-UHFFFAOYSA-N 0 0 410.506 4.562 50 0 HJAARN CC(C)c1noc(CSc2nc3ccccc3c(=O)n2[C@H](C)c2ccccc2)n1 ZINC000025048386 558628278 /nfs/dbraw/zinc/62/82/78/558628278.db2.gz LWEOTDPLBBUZHK-OAHLLOKOSA-N 0 0 406.511 4.805 50 0 HJAARN Cc1ccc(C)c(NC(=O)[C@@H](C)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000025051145 558628845 /nfs/dbraw/zinc/62/88/45/558628845.db2.gz VONAVMBALSAYLR-CQSZACIVSA-N 0 0 408.329 4.508 50 0 HJAARN Cc1ccc(C)c(NC(=O)[C@H](C)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000025051154 558628858 /nfs/dbraw/zinc/62/88/58/558628858.db2.gz VONAVMBALSAYLR-AWEZNQCLSA-N 0 0 408.329 4.508 50 0 HJAARN C[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1F)c1cc2ccccc2o1 ZINC000072232402 558630810 /nfs/dbraw/zinc/63/08/10/558630810.db2.gz ZRRYTYTXIKGPBH-LLVKDONJSA-N 0 0 412.280 4.515 50 0 HJAARN O=C(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)Nc1cccc2ccccc21 ZINC000014195500 558633223 /nfs/dbraw/zinc/63/32/23/558633223.db2.gz JKUYMEMRRLQOFF-UHFFFAOYSA-N 0 0 414.336 4.907 50 0 HJAARN COC(=O)c1cccc2c1CCCN2C(=O)c1cc(Cl)c(OC(C)C)c(OC)c1 ZINC000025192028 558634377 /nfs/dbraw/zinc/63/43/77/558634377.db2.gz RMWINLVTFXQDPQ-UHFFFAOYSA-N 0 0 417.889 4.515 50 0 HJAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)COc1cccc(Oc2ccccc2)c1 ZINC000014199740 558635673 /nfs/dbraw/zinc/63/56/73/558635673.db2.gz DVQFKQGXMWQXGO-UHFFFAOYSA-N 0 0 418.493 4.572 50 0 HJAARN O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000014200027 558635904 /nfs/dbraw/zinc/63/59/04/558635904.db2.gz HGEMKHGXOLLFOQ-UHFFFAOYSA-N 0 0 421.497 4.653 50 0 HJAARN C[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000025329156 558638094 /nfs/dbraw/zinc/63/80/94/558638094.db2.gz WJMIMXYRGJRXJX-LIRRHRJNSA-N 0 0 408.329 4.577 50 0 HJAARN C[C@@H](Sc1nnc(-c2ccc[nH]2)o1)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000014226374 558638554 /nfs/dbraw/zinc/63/85/54/558638554.db2.gz RLTBIXARMVJWRN-QGZVFWFLSA-N 0 0 418.522 4.774 50 0 HJAARN COc1ccccc1NC(=O)N(Cc1nnc2n1CCCCC2)c1ccc(C)cc1 ZINC000004518113 558641501 /nfs/dbraw/zinc/64/15/01/558641501.db2.gz GYZBJRALOCRGAN-UHFFFAOYSA-N 0 0 405.502 4.560 50 0 HJAARN COc1ccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2cccc(C)c2C)cc1 ZINC000004518129 558641510 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Cc1noc(C)c1COc1cccc(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000004524369 558653945 /nfs/dbraw/zinc/65/39/45/558653945.db2.gz OPXOTHJMRCOGGZ-UHFFFAOYSA-N 0 0 423.509 4.813 50 0 HJAARN O=C1c2ccccc2C(=O)N1c1cc(-c2c[nH]c3ccccc23)n(-c2ccccc2)n1 ZINC000004525230 558654503 /nfs/dbraw/zinc/65/45/03/558654503.db2.gz QEVFEIJEIMSZKA-UHFFFAOYSA-N 0 0 404.429 4.821 50 0 HJAARN O=C(Nc1ccccc1I)c1ccc(-c2ccc(F)cc2)o1 ZINC000004538719 558661382 /nfs/dbraw/zinc/66/13/82/558661382.db2.gz WULZTADCBHJFAN-UHFFFAOYSA-N 0 0 407.182 4.943 50 0 HJAARN Cc1ccc(C)c(OCc2nnc(S[C@H](C(=O)N3CCCC3)c3ccccc3)o2)c1 ZINC000026491902 558661862 /nfs/dbraw/zinc/66/18/62/558661862.db2.gz QQHSXWJBOXVFTF-NRFANRHFSA-N 0 0 423.538 4.721 50 0 HJAARN C[C@@H]1Sc2ccc(C(=O)Nc3nc(-c4cc(F)ccc4F)cs3)cc2NC1=O ZINC000014706997 558664442 /nfs/dbraw/zinc/66/44/42/558664442.db2.gz WHVMYNRDTTXBHJ-VIFPVBQESA-N 0 0 417.462 4.773 50 0 HJAARN O=CNC1(C(=O)N[C@H](c2ccc(Cl)cc2)c2ccccc2Cl)CCCCC1 ZINC000004547566 558665020 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CC[C@@H](C)NC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2)CC1 ZINC000033274543 558764028 /nfs/dbraw/zinc/76/40/28/558764028.db2.gz WNBOJTJPBSWTKU-QGZVFWFLSA-N 0 0 414.571 4.557 50 0 HJAARN CCc1cc(=O)n2nc(N[C@@H](CC(C)C)c3ccccc3OCC(C)C)sc2n1 ZINC000072307347 558767360 /nfs/dbraw/zinc/76/73/60/558767360.db2.gz XWEZWDVRIFFLGZ-SFHVURJKSA-N 0 0 414.575 4.948 50 0 HJAARN COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)cc1OC ZINC000033448570 558768713 /nfs/dbraw/zinc/76/87/13/558768713.db2.gz RHKLMTBEZZYLFD-WOJGMQOQSA-N 0 0 423.519 4.886 50 0 HJAARN CCOc1ccc(-c2nc(NC(=O)c3cc(=O)[nH]c4ccccc43)sc2C)cc1 ZINC000016043409 558770100 /nfs/dbraw/zinc/77/01/00/558770100.db2.gz VBORZHHCUHZTHG-UHFFFAOYSA-N 0 0 405.479 4.611 50 0 HJAARN CCCn1c(C)cc(-c2csc(NC(=O)c3cc(=O)[nH]c4ccccc43)n2)c1C ZINC000016045554 558770418 /nfs/dbraw/zinc/77/04/18/558770418.db2.gz CFTHDJHIDFIPFH-UHFFFAOYSA-N 0 0 406.511 4.732 50 0 HJAARN O=C(NCc1ccccn1)c1cc(-c2cccc(Br)c2)nc2ccccc21 ZINC000016050266 558770786 /nfs/dbraw/zinc/77/07/86/558770786.db2.gz ZDAQNJFZCPEKIU-UHFFFAOYSA-N 0 0 418.294 4.989 50 0 HJAARN CC(=O)c1cccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](C)Cc2cccs2)c1 ZINC000016091505 558771433 /nfs/dbraw/zinc/77/14/33/558771433.db2.gz CVWKANMQTKRSSI-KRWDZBQOSA-N 0 0 413.564 4.773 50 0 HJAARN COc1ccccc1-c1coc2cc(OCC(=O)OC3CCCCC3)ccc2c1=O ZINC000000942750 558774726 /nfs/dbraw/zinc/77/47/26/558774726.db2.gz NYILRODXDWYEMV-UHFFFAOYSA-N 0 0 408.450 4.723 50 0 biogenic HJAARN Cc1nc(CC(=O)N2c3ccccc3N(C(=O)OC(C)(C)C)CC2(C)C)cs1 ZINC000072310515 558777588 /nfs/dbraw/zinc/77/75/88/558777588.db2.gz MEIBXIUCUZWQEB-UHFFFAOYSA-N 0 0 401.532 4.561 50 0 HJAARN Cc1ccccc1-n1nnnc1[C@@H](c1ccccc1)N(C)Cc1ccc(Cl)cc1 ZINC000022077873 558779004 /nfs/dbraw/zinc/77/90/04/558779004.db2.gz XJQRDLCKDSCUMI-JOCHJYFZSA-N 0 0 403.917 4.846 50 0 HJAARN CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c1 ZINC000004585815 558781097 /nfs/dbraw/zinc/78/10/97/558781097.db2.gz FOUSQTYMOMNNIM-UHFFFAOYSA-N 0 0 412.945 4.571 50 0 HJAARN COc1ccc(C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1Cl ZINC000016284418 558783791 /nfs/dbraw/zinc/78/37/91/558783791.db2.gz VVTBDMAUYWQFJI-UHFFFAOYSA-N 0 0 410.836 4.782 50 0 HJAARN Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3O)nc2c1 ZINC000016348446 558787528 /nfs/dbraw/zinc/78/75/28/558787528.db2.gz SLKWKONNXSKOEW-UHFFFAOYSA-N 0 0 417.490 4.565 50 0 HJAARN O=C1C[C@H](c2ccc(Br)cc2)c2c(n[nH]c2-c2ccc(Cl)cc2)N1 ZINC000035143205 558788506 /nfs/dbraw/zinc/78/85/06/558788506.db2.gz OWBCDVCSTZQHQW-CQSZACIVSA-N 0 0 402.679 4.967 50 0 HJAARN COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3ccc(Cl)cc3)no2)cc1OC ZINC000035476313 558792469 /nfs/dbraw/zinc/79/24/69/558792469.db2.gz RMUPIMOMGICJFM-GOSISDBHSA-N 0 0 412.873 4.990 50 0 HJAARN CCc1cccc(C)c1Nc1c(-c2cc(OC)c(O)c(OC)c2)nc2ncccn21 ZINC000035606570 558794091 /nfs/dbraw/zinc/79/40/91/558794091.db2.gz FHIKDKHEIPDECQ-UHFFFAOYSA-N 0 0 404.470 4.734 50 0 HJAARN COCc1nn2c(ncc(C(=O)Nc3cccc(Cl)c3)c2C)c1-c1ccc(F)cc1 ZINC000036125607 558797957 /nfs/dbraw/zinc/79/79/57/558797957.db2.gz ZZZIHWRVICZQLV-UHFFFAOYSA-N 0 0 424.863 4.896 50 0 HJAARN CC(C)c1ccc(NC(=O)N2CCS[C@@]23c2ccccc2N(C(C)C)C3=O)cc1 ZINC000036163314 558798163 /nfs/dbraw/zinc/79/81/63/558798163.db2.gz DUCPMHQRYHSUEO-HSZRJFAPSA-N 0 0 409.555 4.999 50 0 HJAARN COc1ccccc1[C@H](C)N(c1cccc(F)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000036247032 558798466 /nfs/dbraw/zinc/79/84/66/558798466.db2.gz RWDZIQDUSDRDNI-HNNXBMFYSA-N 0 0 403.450 4.930 50 0 HJAARN COc1cccc(N(Cc2ccccc2OC)S(=O)(=O)c2ccccc2Cl)c1 ZINC000036247570 558798633 /nfs/dbraw/zinc/79/86/33/558798633.db2.gz XDZIMJWLIPBAFN-UHFFFAOYSA-N 0 0 417.914 4.753 50 0 HJAARN CCCn1c2ccccc2n(CCC(=O)N(c2nc(C)cs2)c2ccccc2)c1=O ZINC000016699733 558801539 /nfs/dbraw/zinc/80/15/39/558801539.db2.gz WHDXKQYWJXMZIY-UHFFFAOYSA-N 0 0 420.538 4.733 50 0 HJAARN CCOc1ccccc1CN1C(=O)c2ccccc2CC[C@@]1(C)C(=O)NCCC(C)C ZINC000032977887 558803470 /nfs/dbraw/zinc/80/34/70/558803470.db2.gz ORWPXGZHEFAPPP-SANMLTNESA-N 0 0 422.569 4.595 50 0 HJAARN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cccs1)c1ccc(-c2ccccc2)cc1 ZINC000032978408 558803499 /nfs/dbraw/zinc/80/34/99/558803499.db2.gz LXZGZRNLLNWZOX-UWJYYQICSA-N 0 0 404.535 4.897 50 0 HJAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc(O)cc2)N1Cc1ccc(F)cc1 ZINC000016742318 558804174 /nfs/dbraw/zinc/80/41/74/558804174.db2.gz JJDJANQWDKNUKA-OAQYLSRUSA-N 0 0 419.383 4.522 50 0 HJAARN Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1)C(C)C ZINC000032983505 558804608 /nfs/dbraw/zinc/80/46/08/558804608.db2.gz KLHSSIWQQSXYND-DNVCBOLYSA-N 0 0 406.448 4.646 50 0 HJAARN Cc1ccccc1CNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983915 558804944 /nfs/dbraw/zinc/80/49/44/558804944.db2.gz ZZZRTNPMHYAUSD-XKZIYDEJSA-N 0 0 418.880 4.950 50 0 HJAARN CCOP(=O)(OCC)c1nc(Cc2ccccc2)oc1NCCc1ccccc1 ZINC000016752543 558805118 /nfs/dbraw/zinc/80/51/18/558805118.db2.gz ANBFPRCQUXYFNT-UHFFFAOYSA-N 0 0 414.442 4.811 50 0 HJAARN O=C(NCc1ccccc1F)c1ccc2c(c1)NC(=O)/C(=C/c1ccc(Cl)cc1)O2 ZINC000032983617 558805241 /nfs/dbraw/zinc/80/52/41/558805241.db2.gz GDWZHIACRBTCHC-NHDPSOOVSA-N 0 0 422.843 4.781 50 0 HJAARN O=C(COc1cc(-c2ccccc2)nc2ccc(F)cc21)NCCc1ccccc1 ZINC000032985793 558806099 /nfs/dbraw/zinc/80/60/99/558806099.db2.gz RZYPFVPKPVJMLF-UHFFFAOYSA-N 0 0 400.453 4.779 50 0 HJAARN O=C1c2cccc3cccc(c32)C(=O)N1CCCc1nnc(Nc2ccccc2)s1 ZINC000016779486 558806639 /nfs/dbraw/zinc/80/66/39/558806639.db2.gz VMDNSTZGAGJRSA-UHFFFAOYSA-N 0 0 414.490 4.664 50 0 HJAARN CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000032986577 558806638 /nfs/dbraw/zinc/80/66/38/558806638.db2.gz GKVGNFAWXJSANM-GOSISDBHSA-N 0 0 410.901 4.863 50 0 HJAARN Cc1ccc(C)c(CN2[C@@H](c3ccc(F)c(F)c3)Nc3ccccc3S2(=O)=O)c1 ZINC000032986795 558806749 /nfs/dbraw/zinc/80/67/49/558806749.db2.gz OXCUEPPKYRSOBI-QFIPXVFZSA-N 0 0 414.477 4.897 50 0 HJAARN CCOc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(F)cc4)cc23)cc1 ZINC000016841462 558808196 /nfs/dbraw/zinc/80/81/96/558808196.db2.gz OFKFVPHEMAUBNF-UHFFFAOYSA-N 0 0 422.485 4.665 50 0 HJAARN COc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)cc1 ZINC000016954060 558809780 /nfs/dbraw/zinc/80/97/80/558809780.db2.gz XEKPBHOZJFPQQY-UHFFFAOYSA-N 0 0 424.913 4.789 50 0 HJAARN COc1ccc(-c2cc3c(SCC(=O)Nc4ccc(Cl)cc4)nccn3n2)cc1 ZINC000016954694 558809986 /nfs/dbraw/zinc/80/99/86/558809986.db2.gz ZPVYSRDKFMOPJQ-UHFFFAOYSA-N 0 0 424.913 4.789 50 0 HJAARN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@@]21S[C@@H](C)C(=O)N1c1ccccc1 ZINC000017082954 558815327 /nfs/dbraw/zinc/81/53/27/558815327.db2.gz OSFXYNKICFYGKY-FYSMJZIKSA-N 0 0 404.535 4.858 50 0 HJAARN CC(=O)c1ccc(NC(=O)N2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000017083348 558815949 /nfs/dbraw/zinc/81/59/49/558815949.db2.gz POTGIFWLVAGSDJ-UHFFFAOYSA-N 0 0 406.313 4.546 50 0 HJAARN Cc1ccc(C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000017087339 558816217 /nfs/dbraw/zinc/81/62/17/558816217.db2.gz IHOKYPNHLGXQFJ-UHFFFAOYSA-N 0 0 406.476 4.821 50 0 HJAARN O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc21)c1ccco1 ZINC000017086728 558816221 /nfs/dbraw/zinc/81/62/21/558816221.db2.gz AAZKBDHXFFFZNH-NRFANRHFSA-N 0 0 416.260 4.594 50 0 HJAARN O=C(Nn1c(=O)c2c3c(sc2[nH]c1=S)CCCC3)c1csc2ccccc12 ZINC000017089654 558818312 /nfs/dbraw/zinc/81/83/12/558818312.db2.gz KBOPWVWNZZDULC-UHFFFAOYSA-N 0 0 413.549 4.598 50 0 HJAARN CCCn1c(SCC(=O)NC2CCCCC2)nnc1-c1csc2c1CCCC2 ZINC000017091643 558820246 /nfs/dbraw/zinc/82/02/46/558820246.db2.gz YUEREKXNUYDRSE-UHFFFAOYSA-N 0 0 418.632 4.836 50 0 HJAARN CCOc1cc2c(cc1OCC)[C@@H](c1cc(Br)ccc1OC)CC(=O)N2 ZINC000017092100 558820692 /nfs/dbraw/zinc/82/06/92/558820692.db2.gz XNRDGLCDGUAXMP-ZDUSSCGKSA-N 0 0 420.303 4.729 50 0 HJAARN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@@]21S[C@H](C)C(=O)N1c1ccc(F)cc1 ZINC000017093153 558821555 /nfs/dbraw/zinc/82/15/55/558821555.db2.gz HQDGNQITBQJHIH-MYYSRTQBSA-N 0 0 422.525 4.998 50 0 HJAARN CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1 ZINC000017167167 558824516 /nfs/dbraw/zinc/82/45/16/558824516.db2.gz UTRYIIFWLLCCNW-JPVKTXQWSA-N 0 0 410.495 4.539 50 0 HJAARN COc1ccc(-c2nc3cccnc3n2[C@H]2CCN(C(=O)Nc3ccccc3)C2)cc1 ZINC000097938693 558825162 /nfs/dbraw/zinc/82/51/62/558825162.db2.gz WFYOUIPNUUZOJN-IBGZPJMESA-N 0 0 413.481 4.586 50 0 HJAARN O=C(CSc1nc2ccc(NC(=O)C3CCCCC3)cc2s1)N1CCCC1 ZINC000033000277 558826346 /nfs/dbraw/zinc/82/63/46/558826346.db2.gz HRJOSHDVOKWJBW-UHFFFAOYSA-N 0 0 403.573 4.530 50 0 HJAARN O=C(Nc1ccccn1)c1cc(-c2cccnc2)nc2ccc(Br)cc21 ZINC000017441155 558827430 /nfs/dbraw/zinc/82/74/30/558827430.db2.gz ZPUFDSAZTIMRDP-UHFFFAOYSA-N 0 0 405.255 4.707 50 0 HJAARN COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)O[C@@H]1CCCC[C@@H]21 ZINC000017704070 558827553 /nfs/dbraw/zinc/82/75/53/558827553.db2.gz MIDMTBZLZSFHQP-HOSQHVHZSA-N 0 0 414.498 4.875 50 0 HJAARN CC(C)(C)c1ccc(OC(=O)c2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2)cc1 ZINC000017987399 558829237 /nfs/dbraw/zinc/82/92/37/558829237.db2.gz GNLCHJHSIYMFMX-NHCUHLMSSA-N 0 0 405.494 4.883 50 0 HJAARN COC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(OC)cc3)C=C2c2ccccc2)c1 ZINC000000713840 558829497 /nfs/dbraw/zinc/82/94/97/558829497.db2.gz UIVXIMKDWUUMIH-QNGOZBTKSA-N 0 0 411.457 4.953 50 0 HJAARN COc1ccc(-c2nc(COC(=O)Cn3c(C)cc4ccccc43)cs2)cc1OC ZINC000010622079 558830067 /nfs/dbraw/zinc/83/00/67/558830067.db2.gz SSVCHRLKFGQRKO-UHFFFAOYSA-N 0 0 422.506 4.834 50 0 HJAARN CCOc1ccccc1NC=C1c2ccccc2C(=O)N(c2ccccc2OC)C1=O ZINC000018144975 558832161 /nfs/dbraw/zinc/83/21/61/558832161.db2.gz JSMRCCRMNRQYOD-KNTRCKAVSA-N 0 0 414.461 4.734 50 0 HJAARN COc1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccc(C)cc3)no2)cc1OC ZINC000033012663 558832428 /nfs/dbraw/zinc/83/24/28/558832428.db2.gz CNISRVFMDMFPRZ-UHFFFAOYSA-N 0 0 415.449 4.982 50 0 HJAARN O=C(Oc1ccccc1N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(Cl)cc1Cl ZINC000018240993 558834311 /nfs/dbraw/zinc/83/43/11/558834311.db2.gz SHWITYWDEVEQAD-KBPBESRZSA-N 0 0 418.276 4.892 50 0 HJAARN O=C(CNc1cccc(Br)c1)N[C@H](c1cccs1)c1ccccc1 ZINC000011113523 558835767 /nfs/dbraw/zinc/83/57/67/558835767.db2.gz SHFFMMMVMXZDSQ-IBGZPJMESA-N 0 0 401.329 4.828 50 0 HJAARN Cn1cccc1[C@H]1C2C(=O)CC(C)(C)CC2=Nc2ccccc2N1C(=O)C(F)(F)F ZINC000000997695 558835967 /nfs/dbraw/zinc/83/59/67/558835967.db2.gz VXHDSROAGRQIGL-IBGZPJMESA-N 0 0 417.431 4.730 50 0 HJAARN O=C(COC(=O)c1c2ccccc2nc2c1CCCCC2)Nc1ccc(F)cc1F ZINC000004601951 558843078 /nfs/dbraw/zinc/84/30/78/558843078.db2.gz OWRMLTDUODIEJU-UHFFFAOYSA-N 0 0 410.420 4.577 50 0 HJAARN Cc1cccc(NC(=O)c2cnn3c2nc(-c2ccco2)cc3C(F)(F)F)c1C ZINC000004602898 558846182 /nfs/dbraw/zinc/84/61/82/558846182.db2.gz MXUOWGVWWIJCLQ-UHFFFAOYSA-N 0 0 400.360 4.877 50 0 HJAARN COc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccc(F)cc2)OC3=O)c(OC)c1 ZINC000033026914 558848022 /nfs/dbraw/zinc/84/80/22/558848022.db2.gz MOKOFXKYCSWQRH-NRFANRHFSA-N 0 0 421.424 4.549 50 0 HJAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000013633159 558849385 /nfs/dbraw/zinc/84/93/85/558849385.db2.gz NSZBUSLVHYGSDJ-BETUJISGSA-N 0 0 420.410 4.957 50 0 HJAARN CSc1ncc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2cccc(O)c2)cn1 ZINC000019226901 558852769 /nfs/dbraw/zinc/85/27/69/558852769.db2.gz YAEFBUXBARGXLL-QFIPXVFZSA-N 0 0 402.523 4.533 50 0 HJAARN CCCNC(=O)c1cccc([C@@H]2CCCN(C(=O)Nc3ccc(OCC)cc3)C2)c1 ZINC000033035122 558859222 /nfs/dbraw/zinc/85/92/22/558859222.db2.gz OYPHAFUMKOFLKL-HXUWFJFHSA-N 0 0 409.530 4.637 50 0 HJAARN CC[C@H](C)NC(=O)c1ccc(-n2nc(C)c(-c3ccc(C)cc3)c2NC(C)=O)cc1 ZINC000033037155 558861652 /nfs/dbraw/zinc/86/16/52/558861652.db2.gz RKOZHJLHFQOYBE-INIZCTEOSA-N 0 0 404.514 4.643 50 0 HJAARN O=C(c1cnc2ccc(Cl)cc2c1NCc1ccc2c(c1)OCO2)N1CCCCC1 ZINC000072328465 558863856 /nfs/dbraw/zinc/86/38/56/558863856.db2.gz YXLGOPDYXBWJGA-UHFFFAOYSA-N 0 0 423.900 4.855 50 0 HJAARN CCCCOc1ccc(-c2n[nH]cc2C(=O)NCc2ccc(OC)c(OCC)c2)cc1 ZINC000072329025 558864423 /nfs/dbraw/zinc/86/44/23/558864423.db2.gz YZPIXUAEJVSARY-UHFFFAOYSA-N 0 0 423.513 4.593 50 0 HJAARN O=C(COC(=O)c1cc(F)ccc1Cl)Nc1cc(C(F)(F)F)ccc1Cl ZINC000072330105 558865320 /nfs/dbraw/zinc/86/53/20/558865320.db2.gz GRSALGHTEJDKGF-UHFFFAOYSA-N 0 0 410.150 4.947 50 0 HJAARN C[C@H]1CCc2sc3ncnc(N4CCN(Cc5ccc(Cl)cc5)CC4)c3c2C1 ZINC000054360505 558867662 /nfs/dbraw/zinc/86/76/62/558867662.db2.gz RHKBPTWTEQWDCS-HNNXBMFYSA-N 0 0 412.990 4.792 50 0 HJAARN COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2cccnc2)cc1 ZINC000019324524 558867746 /nfs/dbraw/zinc/86/77/46/558867746.db2.gz LHPYLUNQRUFTPR-UHFFFAOYSA-N 0 0 403.526 4.506 50 0 HJAARN Cc1c(C(=O)NCCc2ccc(C)cc2)sc2nc(C)nc(N3CCCCC3)c12 ZINC000033084377 558869464 /nfs/dbraw/zinc/86/94/64/558869464.db2.gz XVQYTZFEUBYVLP-UHFFFAOYSA-N 0 0 408.571 4.579 50 0 HJAARN Cc1ccc(CN2CCOc3ccc([C@@](C)(O)COc4ccccc4)cc3C2)s1 ZINC000055052544 558870573 /nfs/dbraw/zinc/87/05/73/558870573.db2.gz YXBSQLHGRIMWHO-DEOSSOPVSA-N 0 0 409.551 4.738 50 0 HJAARN O=C(Nc1ccc(Br)cc1)c1nc2ccccc2nc1N1CCCCC1 ZINC000033086021 558870766 /nfs/dbraw/zinc/87/07/66/558870766.db2.gz KIYUCXACPNWWEG-UHFFFAOYSA-N 0 0 411.303 4.635 50 0 HJAARN CCOc1ccccc1-c1cc(C(=O)N2CCN(CC)CC2)c2cc(Cl)ccc2n1 ZINC000055070036 558871506 /nfs/dbraw/zinc/87/15/06/558871506.db2.gz GVGGHYCMUGNBBG-UHFFFAOYSA-N 0 0 423.944 4.732 50 0 HJAARN c1cc([C@@H]2CCCO2)sc1CN(Cc1cccnc1)Cc1ccc2c(c1)OCO2 ZINC000055099438 558872420 /nfs/dbraw/zinc/87/24/20/558872420.db2.gz IFSWHDWUWPBRHW-NRFANRHFSA-N 0 0 408.523 4.926 50 0 HJAARN COc1cccc(/C=C2/Sc3ccc(C(=O)N4C[C@@H](C)C[C@H](C)C4)cc3NC2=O)c1 ZINC000033097138 558872948 /nfs/dbraw/zinc/87/29/48/558872948.db2.gz DWEVIWBNVOCPMV-ZZPFTBFSSA-N 0 0 422.550 4.899 50 0 HJAARN CCOC(=O)c1cn([C@@H](c2ncccc2C)C2CC2)cc(Oc2ccccc2)c1=O ZINC000055200287 558875801 /nfs/dbraw/zinc/87/58/01/558875801.db2.gz GXBSIUMJDINHRD-JOCHJYFZSA-N 0 0 404.466 4.520 50 0 HJAARN CSc1nnc(CN(C)Cc2cccc(-c3ccccc3C)c2)n1C[C@@H]1CCCO1 ZINC000055226827 558876652 /nfs/dbraw/zinc/87/66/52/558876652.db2.gz IBSNBQIFSCGNTG-NRFANRHFSA-N 0 0 422.598 4.786 50 0 HJAARN COc1ccc(-c2c(C(=O)Nc3ccc(Cl)cc3C)nn3c2[nH]c(=O)cc3C)cc1 ZINC000033123335 558879625 /nfs/dbraw/zinc/87/96/25/558879625.db2.gz LZRFUHXZFMAZOO-UHFFFAOYSA-N 0 0 422.872 4.633 50 0 HJAARN Cc1ccc(-n2cc(CN(C)[C@H](C)c3ccncn3)c(-c3ccc(F)cc3)n2)cc1 ZINC000055358541 558879938 /nfs/dbraw/zinc/87/99/38/558879938.db2.gz ZUNNFIIFFBAUJM-GOSISDBHSA-N 0 0 401.489 4.970 50 0 HJAARN CCOC(=O)C1(CCCc2ccccc2)CCN(Cc2nc3ccccc3n2C)CC1 ZINC000055384625 558880684 /nfs/dbraw/zinc/88/06/84/558880684.db2.gz PCAWZHDHJDVCNQ-UHFFFAOYSA-N 0 0 419.569 4.742 50 0 HJAARN COc1cccc(C(=O)Nc2cc(C)ccc2NC(=O)c2ccccc2C)c1OC ZINC000055392928 558880804 /nfs/dbraw/zinc/88/08/04/558880804.db2.gz SZVRQQNVPOIYAI-UHFFFAOYSA-N 0 0 404.466 4.825 50 0 HJAARN CCOc1ccc2oc(C(=O)N[C@H](c3nccn3C)c3ccc(F)cc3)c(C)c2c1 ZINC000010656335 558882875 /nfs/dbraw/zinc/88/28/75/558882875.db2.gz XXASONHZUDFTGU-FQEVSTJZSA-N 0 0 407.445 4.532 50 0 HJAARN COc1cccc(CNC(=O)Nc2cccc(CCc3nc4ccccc4[nH]3)c2)c1 ZINC000033126381 558883988 /nfs/dbraw/zinc/88/39/88/558883988.db2.gz UUTUQRIENRJKDL-UHFFFAOYSA-N 0 0 400.482 4.678 50 0 HJAARN CC[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2[n-]c(-c3ccc(C)cc3)cc2n1 ZINC000033126338 558884061 /nfs/dbraw/zinc/88/40/61/558884061.db2.gz JWUUMTLFZHIFFS-UHFFFAOYSA-N 0 0 406.917 4.674 50 0 HJAARN C[C@H]1CCCC[C@@H]1NC(=O)CNC(=S)N(Cc1ccccc1F)C1CCCCC1 ZINC000004672629 558884745 /nfs/dbraw/zinc/88/47/45/558884745.db2.gz WZQXILRUTWHPPN-UWJYYQICSA-N 0 0 419.610 4.530 50 0 HJAARN COc1cc(OC)c(NC(=O)Nc2ccc3sc(NC(C)=O)nc3c2)cc1Cl ZINC000033129442 558885323 /nfs/dbraw/zinc/88/53/23/558885323.db2.gz NYDREAITVPBNHJ-UHFFFAOYSA-N 0 0 420.878 4.569 50 0 HJAARN COc1ccc(Oc2ccnc(-c3ccc(C(=O)NCc4ccccc4)cc3)n2)cc1 ZINC000033130366 558886622 /nfs/dbraw/zinc/88/66/22/558886622.db2.gz WVOJTQOBZQBUMJ-UHFFFAOYSA-N 0 0 411.461 4.875 50 0 biogenic HJAARN COc1ccc(CNC(=O)c2ccc(-c3nccc(Oc4ccccc4)n3)cc2)cc1 ZINC000033130460 558886721 /nfs/dbraw/zinc/88/67/21/558886721.db2.gz ZEGGMVSIAMHTKA-UHFFFAOYSA-N 0 0 411.461 4.875 50 0 biogenic HJAARN COc1ccc(CCNC(=O)Cn2c(-c3ccccc3)cc3ccccc32)cc1OC ZINC000004675545 558888379 /nfs/dbraw/zinc/88/83/79/558888379.db2.gz RRBZOYQTPDJCQO-UHFFFAOYSA-N 0 0 414.505 4.684 50 0 HJAARN O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=Nc2ccccc2)N1Cc1cccnc1 ZINC000004675596 558888387 /nfs/dbraw/zinc/88/83/87/558888387.db2.gz QJDNNMKTPDWXHE-DHASMODTSA-N 0 0 415.474 4.615 50 0 HJAARN O=C(N1CC[C@@]2(C1)CC(=O)c1ccccc1O2)C1(c2ccc(Cl)cc2)CCCC1 ZINC000096367444 558890289 /nfs/dbraw/zinc/89/02/89/558890289.db2.gz BGFLDPAFOIRAQW-QHCPKHFHSA-N 0 0 409.913 4.788 50 0 HJAARN O=C1C[C@H](c2ccc(OCc3ccc(F)cc3)cc2)c2c(=O)[nH]c3ccccc3c2O1 ZINC000004626204 558890724 /nfs/dbraw/zinc/89/07/24/558890724.db2.gz UJFPXVADFCVJJA-HXUWFJFHSA-N 0 0 415.420 4.687 50 0 HJAARN CCOc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\Nc2ccccc2)c1 ZINC000004679711 558890877 /nfs/dbraw/zinc/89/08/77/558890877.db2.gz ZUPUFQVGCSDOLR-PNHLSOANSA-N 0 0 415.449 4.717 50 0 HJAARN COc1ccc([C@H](C)NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)cc1F ZINC000033160303 558895621 /nfs/dbraw/zinc/89/56/21/558895621.db2.gz CBGQOHJXZAIZDG-ZDUSSCGKSA-N 0 0 418.921 4.955 50 0 HJAARN Cc1ccc(-c2nnc(SCC(=O)N(Cc3ccco3)C3=CCCCC3)n2C)cc1 ZINC000011152982 558896649 /nfs/dbraw/zinc/89/66/49/558896649.db2.gz KCUNXZFNYHEIGX-UHFFFAOYSA-N 0 0 422.554 4.962 50 0 HJAARN Cc1ccc(Sc2nccnc2N2CCC[C@@H](C(=O)NC3CCCCCC3)C2)cc1 ZINC000033168676 558898193 /nfs/dbraw/zinc/89/81/93/558898193.db2.gz FGSOHAPBDHKIEA-LJQANCHMSA-N 0 0 424.614 4.992 50 0 HJAARN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nccnc3Sc3ccccc3)C2)cc1 ZINC000033168848 558898412 /nfs/dbraw/zinc/89/84/12/558898412.db2.gz VIMQTCNEDYOTOO-GOSISDBHSA-N 0 0 404.539 4.791 50 0 HJAARN COc1cc(C(=O)Nc2ccnn2[C@@H]2CCCc3ccccc32)cc(Cl)c1OC ZINC000058109396 558899332 /nfs/dbraw/zinc/89/93/32/558899332.db2.gz PAPGCPBDNZCRQP-GOSISDBHSA-N 0 0 411.889 4.732 50 0 HJAARN Cc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCCC1=CCCCC1 ZINC000033173338 558901445 /nfs/dbraw/zinc/90/14/45/558901445.db2.gz HSOKPJVGZAODBI-UHFFFAOYSA-N 0 0 414.449 4.838 50 0 HJAARN O=C(Nc1nnc(-c2ccccn2)s1)c1cccc(-n2nccc2-c2ccccc2)c1 ZINC000058144806 558901805 /nfs/dbraw/zinc/90/18/05/558901805.db2.gz CRIRGFFYHJSUQC-UHFFFAOYSA-N 0 0 424.489 4.705 50 0 HJAARN Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)Nc1c(C)cccc1C ZINC000033173798 558901976 /nfs/dbraw/zinc/90/19/76/558901976.db2.gz SYSSDOKQXLPSIG-UHFFFAOYSA-N 0 0 415.462 4.883 50 0 HJAARN CC(=O)c1ccc(N2CCN(Cc3cc(=O)oc4cc(C)c(C(C)C)cc34)CC2)cc1 ZINC000058158790 558903993 /nfs/dbraw/zinc/90/39/93/558903993.db2.gz MJLVELMVYYVTLN-UHFFFAOYSA-N 0 0 418.537 4.750 50 0 HJAARN Cc1cccc(NC(=O)CSc2nnc(CCc3ccccc3)n2CC(C)C)c1 ZINC000004694847 558905393 /nfs/dbraw/zinc/90/53/93/558905393.db2.gz WQTJZTMIFKTAIS-UHFFFAOYSA-N 0 0 408.571 4.759 50 0 HJAARN O=C(CCC(=O)N1CCc2ccccc2C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000004699002 558906988 /nfs/dbraw/zinc/90/69/88/558906988.db2.gz WIOFTHDVTXYCRW-UHFFFAOYSA-N 0 0 414.505 4.569 50 0 HJAARN O=C(c1ccc(-c2cccc(CO)c2)nc1)N1CCC(CCc2ccccc2)CC1 ZINC000071759287 558909901 /nfs/dbraw/zinc/90/99/01/558909901.db2.gz AAPLQNVNUBZPGJ-UHFFFAOYSA-N 0 0 400.522 4.726 50 0 HJAARN COc1ccc(NC(=O)N[C@@H](c2cccs2)C(C)(C)C)cc1N1CCCC1=O ZINC000058203456 558911864 /nfs/dbraw/zinc/91/18/64/558911864.db2.gz MFPFHQDCQODXLY-IBGZPJMESA-N 0 0 401.532 4.792 50 0 HJAARN Cc1nc(C2(NC(=O)c3ccc(C4SCCS4)cc3)CCCCCC2)no1 ZINC000046405780 558912923 /nfs/dbraw/zinc/91/29/23/558912923.db2.gz YQMLQAVOJYUQME-UHFFFAOYSA-N 0 0 403.573 4.836 50 0 HJAARN CCOc1cccc2c1O[C@H](c1cc(OC)ccc1OC)N1N=C(c3ccco3)C[C@H]21 ZINC000004715657 558914907 /nfs/dbraw/zinc/91/49/07/558914907.db2.gz QPALJGBVDIWHNM-NTKDMRAZSA-N 0 0 420.465 4.938 50 0 HJAARN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(OC)cc2)cc1 ZINC000004715824 558915283 /nfs/dbraw/zinc/91/52/83/558915283.db2.gz QSAUBTCGSFZJBA-WIOPSUGQSA-N 0 0 416.477 4.955 50 0 HJAARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1Cl ZINC000058264766 558915602 /nfs/dbraw/zinc/91/56/02/558915602.db2.gz MGOFZQXKHSXMRZ-GOSISDBHSA-N 0 0 417.918 4.614 50 0 HJAARN CC(C)(C)c1ccc(S(=O)(=O)c2c(C(=O)N3CCCC3)cnc3ccccc32)cc1 ZINC000033249285 558916131 /nfs/dbraw/zinc/91/61/31/558916131.db2.gz URHQGXAJTXWYCV-UHFFFAOYSA-N 0 0 422.550 4.601 50 0 HJAARN Cc1ccc(/C=C2\SC(=O)N(CNc3cccc(Br)c3)C2=O)cc1 ZINC000004713862 558918029 /nfs/dbraw/zinc/91/80/29/558918029.db2.gz XQOLVYGSWCPNEE-SXGWCWSVSA-N 0 0 403.301 4.863 50 0 HJAARN COc1ccc([C@H](CC(=O)Nc2ccccc2F)N2Cc3ccccc3C2=O)cc1 ZINC000033249876 558918790 /nfs/dbraw/zinc/91/87/90/558918790.db2.gz VYWKEBBYCGRMTD-QFIPXVFZSA-N 0 0 404.441 4.560 50 0 HJAARN COc1ccc(-c2noc(CSCC(=O)Nc3cc(Cl)ccc3C)n2)cc1 ZINC000033250342 558919132 /nfs/dbraw/zinc/91/91/32/558919132.db2.gz BQBQGIMSIKWNMN-UHFFFAOYSA-N 0 0 403.891 4.579 50 0 HJAARN Cc1csc(NC(=O)c2c[nH]c3cc(Br)c(Br)cc23)n1 ZINC000058326531 558919739 /nfs/dbraw/zinc/91/97/39/558919739.db2.gz ZQMKTHCBTMKYPB-UHFFFAOYSA-N 0 0 415.110 4.710 50 0 HJAARN COc1ccc2[nH]c(C(=O)NCc3cccc(C)c3)c(NC(=O)c3ccccc3)c2c1 ZINC000033252542 558920815 /nfs/dbraw/zinc/92/08/15/558920815.db2.gz GLKFVXDBNTUFIN-UHFFFAOYSA-N 0 0 413.477 4.667 50 0 HJAARN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)cc4Cl)cc3n2)cc1 ZINC000004723352 558922649 /nfs/dbraw/zinc/92/26/49/558922649.db2.gz QAVFHJJQVBYXCW-UHFFFAOYSA-N 0 0 406.873 4.952 50 0 HJAARN O=C(Nc1cnc(-c2cccc(O)c2)nc1)c1cc2c(s1)-c1ccccc1OC2 ZINC000058378194 558923027 /nfs/dbraw/zinc/92/30/27/558923027.db2.gz YACHNTCGYYKKQA-UHFFFAOYSA-N 0 0 401.447 4.722 50 0 HJAARN O=C(CCNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)N1CCCc2ccccc21 ZINC000058387496 558923284 /nfs/dbraw/zinc/92/32/84/558923284.db2.gz APQKWJZKLDSVPP-UHFFFAOYSA-N 0 0 416.308 4.574 50 0 HJAARN O=C1C[C@@H](c2nc(-c3ccc(N4CCCCC4)cc3)no2)CN1c1cccc(Cl)c1 ZINC000033255345 558923388 /nfs/dbraw/zinc/92/33/88/558923388.db2.gz IWQLXWNKEZRJCC-QGZVFWFLSA-N 0 0 422.916 4.901 50 0 HJAARN CC1CCN(c2cc3c(cc2F)c(=O)c(-c2nc(-c4ccccc4)no2)cn3C)CC1 ZINC000033255999 558923659 /nfs/dbraw/zinc/92/36/59/558923659.db2.gz WEDFDJJGASLGPT-UHFFFAOYSA-N 0 0 418.472 4.631 50 0 HJAARN CCc1cc(Sc2ccccc2NC(=O)c2ccc(C)cc2)n2nc(C)nc2n1 ZINC000033257080 558924042 /nfs/dbraw/zinc/92/40/42/558924042.db2.gz UBZRTDJEBDMMSJ-UHFFFAOYSA-N 0 0 403.511 4.707 50 0 HJAARN CCc1cc(Sc2ccccc2NC(=O)c2ccccc2C)n2nc(C)nc2n1 ZINC000033257087 558924056 /nfs/dbraw/zinc/92/40/56/558924056.db2.gz NVAOJMDWHYOMRF-UHFFFAOYSA-N 0 0 403.511 4.707 50 0 HJAARN CC(C)NC(=O)Nc1ccc(-c2noc(-c3cccc(Br)c3)n2)cc1 ZINC000033257199 558924276 /nfs/dbraw/zinc/92/42/76/558924276.db2.gz YHYNXJHOMYLKFS-UHFFFAOYSA-N 0 0 401.264 4.696 50 0 HJAARN O=C(NCC12CC3CC(CC(C3)C1)C2)c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000004721681 558925166 /nfs/dbraw/zinc/92/51/66/558925166.db2.gz KNLADMRLABBKBC-UHFFFAOYSA-N 0 0 405.420 4.702 50 0 HJAARN Cc1nn(-c2ccc(-c3noc(C4CC4)n3)cc2)cc1C(=O)Nc1cc(F)ccc1F ZINC000033258643 558925769 /nfs/dbraw/zinc/92/57/69/558925769.db2.gz VEYCGOGZOFZTPM-UHFFFAOYSA-N 0 0 421.407 4.639 50 0 HJAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc2c(c1)OCCCO2 ZINC000058424856 558925991 /nfs/dbraw/zinc/92/59/91/558925991.db2.gz GJUWLUDGEGXMFT-UHFFFAOYSA-N 0 0 406.404 4.719 50 0 HJAARN O=C(c1cnc(NCc2sccc2Br)c(Cl)c1)N1CCCCC1 ZINC000058555316 558928610 /nfs/dbraw/zinc/92/86/10/558928610.db2.gz HHKLBTWZXRSVGV-UHFFFAOYSA-N 0 0 414.756 4.797 50 0 HJAARN O=C(Nc1ccccc1)N1CCC[C@H](C(=O)OCc2ccc(OC(F)(F)F)cc2)C1 ZINC000058626456 558928871 /nfs/dbraw/zinc/92/88/71/558928871.db2.gz MZMCZNVMTWHMDG-INIZCTEOSA-N 0 0 422.403 4.573 50 0 HJAARN COc1ccc(-c2ccc(SCc3nc(-c4ccc(C)cc4)no3)nn2)cc1OC ZINC000033262516 558931373 /nfs/dbraw/zinc/93/13/73/558931373.db2.gz GXIWHYITQLDCBA-UHFFFAOYSA-N 0 0 420.494 4.812 50 0 HJAARN CCCN(Cc1cc(=O)n2cc(C)ccc2n1)[C@@H](C)c1ccccc1Br ZINC000059121809 558932108 /nfs/dbraw/zinc/93/21/08/558932108.db2.gz UAGKGYJEOPKBLT-INIZCTEOSA-N 0 0 414.347 4.739 50 0 HJAARN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000059321203 558934060 /nfs/dbraw/zinc/93/40/60/558934060.db2.gz ILELCOVMHSBNRV-OXJNMPFZSA-N 0 0 407.518 4.585 50 0 HJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(C)cc2C)C12CCCCC2 ZINC000072401144 558935682 /nfs/dbraw/zinc/93/56/82/558935682.db2.gz ZCMLLAFESKXSDN-HSZRJFAPSA-N 0 0 420.553 4.831 50 0 HJAARN Cc1ccc(C(=O)NCC(F)(F)F)cc1NCc1ccc(Br)cc1F ZINC000059801779 558939237 /nfs/dbraw/zinc/93/92/37/558939237.db2.gz ZYOKVTIRIQFPLO-UHFFFAOYSA-N 0 0 419.216 4.801 50 0 HJAARN CC[C@H](C(=O)Nc1cccc(C)c1)n1nc(-c2ccccc2)c2c(c1=O)CCCC2 ZINC000021783575 558949212 /nfs/dbraw/zinc/94/92/12/558949212.db2.gz NGYYJFNRCSGVRE-JOCHJYFZSA-N 0 0 401.510 4.687 50 0 HJAARN Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@H](c2cc(C)ccc2C)CC(=O)N3)c1 ZINC000021784310 558949682 /nfs/dbraw/zinc/94/96/82/558949682.db2.gz AXAZYNVDCPQRQC-SFHVURJKSA-N 0 0 405.523 4.874 50 0 HJAARN Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@@H](c2ccc(F)cc2F)CC(=O)N3)c1 ZINC000021784915 558949808 /nfs/dbraw/zinc/94/98/08/558949808.db2.gz GSNLAOCPLFTVSA-OAHLLOKOSA-N 0 0 413.449 4.535 50 0 HJAARN Cc1ccccc1CSc1nc2c(c(=O)[nH]1)[C@H](c1cc(F)ccc1F)CC(=O)N2 ZINC000021784989 558949957 /nfs/dbraw/zinc/94/99/57/558949957.db2.gz WQDNPGKFLOPLMI-HNNXBMFYSA-N 0 0 413.449 4.535 50 0 HJAARN CC(C)CCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000021809192 558952916 /nfs/dbraw/zinc/95/29/16/558952916.db2.gz IVUIGZDRFCLYMA-HKARXFIJSA-N 0 0 415.603 4.658 50 0 HJAARN COc1cccc(CNC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(F)cc2)c1 ZINC000033062304 558956051 /nfs/dbraw/zinc/95/60/51/558956051.db2.gz MWCVSAYUCVSFKP-JOCHJYFZSA-N 0 0 417.484 4.947 50 0 HJAARN Cc1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4cccc(C)c4n3)cc2)cc1 ZINC000033067869 558958120 /nfs/dbraw/zinc/95/81/20/558958120.db2.gz SSNZSOOUALVKRB-UHFFFAOYSA-N 0 0 414.465 4.534 50 0 HJAARN Cc1nn(-c2nc(-c3ccc(Cl)cc3)cs2)c(C)c1CC(=O)N1CCCCC1 ZINC000064790120 558965407 /nfs/dbraw/zinc/96/54/07/558965407.db2.gz BUVBHSBERNMCSG-UHFFFAOYSA-N 0 0 414.962 4.821 50 0 HJAARN Cc1ccc(-n2nc(-c3nc(-c4cccc(F)c4)no3)c3ccccc3c2=O)cc1C ZINC000064950020 558967908 /nfs/dbraw/zinc/96/79/08/558967908.db2.gz GROJRFDQUJJBND-UHFFFAOYSA-N 0 0 412.424 4.859 50 0 HJAARN COc1ccc(NC(=O)c2cnc3c(-c4ccccc4)c(C)nn3c2C)cc1Cl ZINC000021914878 558971446 /nfs/dbraw/zinc/97/14/46/558971446.db2.gz CZUMMXLWGRIGGC-UHFFFAOYSA-N 0 0 406.873 4.927 50 0 HJAARN CCOC(=O)c1cn(-c2cccc3cc(O)ccc32)cc(Oc2ccccc2)c1=O ZINC000065426252 558977727 /nfs/dbraw/zinc/97/77/27/558977727.db2.gz IHSIUBWBRXWMLK-UHFFFAOYSA-N 0 0 401.418 4.665 50 0 HJAARN O=C(c1ccc(F)cc1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000021959576 558982447 /nfs/dbraw/zinc/98/24/47/558982447.db2.gz OYWOFWAACUNBCR-UHFFFAOYSA-N 0 0 410.439 4.651 50 0 HJAARN CCOC(=O)c1c(=O)cc(C)n(CCc2ccccc2)c1Cc1ccc(Cl)cc1 ZINC000072446962 558982618 /nfs/dbraw/zinc/98/26/18/558982618.db2.gz ZEJVNHHEEWOBAF-UHFFFAOYSA-N 0 0 409.913 4.820 50 0 HJAARN O=C1CS[C@H](c2ccccc2Br)N1c1ccc(Br)cc1 ZINC000002948367 558984989 /nfs/dbraw/zinc/98/49/89/558984989.db2.gz FGMYCJIMFBBZJW-OAHLLOKOSA-N 0 0 413.134 4.990 50 0 HJAARN C[C@H](NC(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C12CCC(CC1)CC2 ZINC000067319205 558986020 /nfs/dbraw/zinc/98/60/20/558986020.db2.gz SWPQZQRWCXFGOP-ONSGGECDSA-N 0 0 410.558 4.708 50 0 HJAARN CSc1ccc(NC(=O)N2CC[C@H](n3c(-c4ccco4)nc4cccnc43)C2)cc1 ZINC000097088572 558991407 /nfs/dbraw/zinc/99/14/07/558991407.db2.gz FKOGAXRGJBCEIJ-INIZCTEOSA-N 0 0 419.510 4.892 50 0 HJAARN COc1ccc(NC(C)=O)cc1S(=O)(=O)Oc1cc(C)c(Cl)cc1C(C)C ZINC000022455523 558995203 /nfs/dbraw/zinc/99/52/03/558995203.db2.gz POIQGUOLOJMWDM-UHFFFAOYSA-N 0 0 411.907 4.507 50 0 HJAARN Cc1ccc(NC(=O)N2CC[C@H](n3c(-c4ccco4)nc4cccnc43)C2)cc1C ZINC000097125319 558995913 /nfs/dbraw/zinc/99/59/13/558995913.db2.gz JPBWTNJWFFXONF-SFHVURJKSA-N 0 0 401.470 4.787 50 0 HJAARN Cc1nc2ccc(NC(=O)Nc3ccccc3Cl)cc2c(=O)n1-c1ccccc1 ZINC000022497507 558997298 /nfs/dbraw/zinc/99/72/98/558997298.db2.gz ZFUIZURCELSEMX-UHFFFAOYSA-N 0 0 404.857 4.992 50 0 HJAARN COC(=O)CN[C@@H](c1ccc(C)cc1)c1ccccc1NC(=O)c1cccc(Cl)c1 ZINC000097165880 558998733 /nfs/dbraw/zinc/99/87/33/558998733.db2.gz PSIYDLYSGJXJJX-QHCPKHFHSA-N 0 0 422.912 4.753 50 0 HJAARN Cc1occc1C(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000077251998 559000044 /nfs/dbraw/zinc/00/00/44/559000044.db2.gz AMVRZJWWRWKDQG-IBGZPJMESA-N 0 0 406.457 4.885 50 0 HJAARN CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1c[nH]c2ccccc12 ZINC000023080707 559000058 /nfs/dbraw/zinc/00/00/58/559000058.db2.gz PSSKJZYINFYAEH-UHFFFAOYSA-N 0 0 408.889 4.853 50 0 HJAARN Cc1cc(C)c(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)c(Cl)c1 ZINC000097994308 559011237 /nfs/dbraw/zinc/01/12/37/559011237.db2.gz JRXPEMOTUCDGAR-CPNJWEJPSA-N 0 0 419.872 4.840 50 0 HJAARN Cc1cc(C(=O)COC(=O)C=Cc2cccc3cccnc23)c(C)n1CC(F)(F)F ZINC000098003349 559016517 /nfs/dbraw/zinc/01/65/17/559016517.db2.gz WIQTUSNBHHINMA-HJWRWDBZSA-N 0 0 416.399 4.655 50 0 HJAARN CC(C)N(CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1cc(F)cc(F)c1 ZINC000004732252 559032708 /nfs/dbraw/zinc/03/27/08/559032708.db2.gz GWIBSXPSFFLKFL-OAQYLSRUSA-N 0 0 408.489 4.589 50 0 HJAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cccc(C)c3)sc2c1 ZINC000033271550 559033025 /nfs/dbraw/zinc/03/30/25/559033025.db2.gz NUIQPYOVLZWCBJ-MRXNPFEDSA-N 0 0 404.495 4.582 50 0 HJAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3ccccc3C)sc2c1 ZINC000033271665 559033115 /nfs/dbraw/zinc/03/31/15/559033115.db2.gz HDXQCMWLDNXJDE-KRWDZBQOSA-N 0 0 418.522 4.972 50 0 HJAARN CCCC[C@@H]1CN(c2cccc(-c3ccccc3)c2)C(=O)CN1C(=O)c1cscn1 ZINC000082156061 559041419 /nfs/dbraw/zinc/04/14/19/559041419.db2.gz HEUZGRSFVASIBJ-OAQYLSRUSA-N 0 0 419.550 4.858 50 0 HJAARN Cc1ccc(NC(=O)N2CCC(n3cnc4cc(Cl)ccc4c3=O)CC2)cc1C ZINC000033278361 559041611 /nfs/dbraw/zinc/04/16/11/559041611.db2.gz WSWWKELHHQMYRS-UHFFFAOYSA-N 0 0 410.905 4.536 50 0 HJAARN COc1ccc(NC(=O)c2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)cc1OC ZINC000033278939 559042334 /nfs/dbraw/zinc/04/23/34/559042334.db2.gz RFTKNVRRJAFHGS-UHFFFAOYSA-N 0 0 419.412 4.812 50 0 HJAARN COC(=O)c1ccc(NC(=O)c2cccc(-c3nc(-c4ccc(F)cc4)no3)c2)cc1 ZINC000033279075 559042541 /nfs/dbraw/zinc/04/25/41/559042541.db2.gz NJVHBZOGXXUTJA-UHFFFAOYSA-N 0 0 417.396 4.582 50 0 HJAARN COC(=O)[C@@H](C)N1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccccc1 ZINC000004740103 559043309 /nfs/dbraw/zinc/04/33/09/559043309.db2.gz XJJAFZNGKMUBPU-GYCJOSAFSA-N 0 0 410.473 4.942 50 0 HJAARN Cc1ccc(F)cc1NC(=O)CSc1ncnc2c(-c3cccc(F)c3)c[nH]c21 ZINC000033291878 559045968 /nfs/dbraw/zinc/04/59/68/559045968.db2.gz BYEOEPFUBBUDAQ-UHFFFAOYSA-N 0 0 410.449 4.942 50 0 HJAARN C[C@@H](C(=O)N1CCCCCC1)N1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12 ZINC000004747654 559046068 /nfs/dbraw/zinc/04/60/68/559046068.db2.gz DGEQBRZNDBKFGR-UUOWRZLLSA-N 0 0 415.537 4.515 50 0 HJAARN Cc1cc(C)n2ncc(-c3ccc(C)c(S(=O)(=O)Nc4ccc(F)cc4C)c3)c2n1 ZINC000033298068 559047773 /nfs/dbraw/zinc/04/77/73/559047773.db2.gz AXMBSHSYZQHMBS-UHFFFAOYSA-N 0 0 424.501 4.570 50 0 HJAARN Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N(C)c1ccc(C)cc1 ZINC000033299292 559049287 /nfs/dbraw/zinc/04/92/87/559049287.db2.gz LPGHFLHZNVLXBG-UHFFFAOYSA-N 0 0 416.446 4.864 50 0 HJAARN Cc1cc2c(ccnc2N2CCC[C@H](C(=O)N[C@@H](C)CCc3ccccc3)C2)s1 ZINC000033299579 559049476 /nfs/dbraw/zinc/04/94/76/559049476.db2.gz DVCFJSISXPILPC-PXNSSMCTSA-N 0 0 407.583 4.959 50 0 HJAARN CN(C)c1cccc(C(=O)Nc2cccc(OCc3nnc(-c4ccccc4)o3)c2)c1 ZINC000033307256 559052049 /nfs/dbraw/zinc/05/20/49/559052049.db2.gz KPMHXJVRHUVGJY-UHFFFAOYSA-N 0 0 414.465 4.634 50 0 HJAARN COc1ccc(-c2nnc(COc3cccc(NC(=O)Cc4cccs4)c3)o2)cc1 ZINC000033307371 559052096 /nfs/dbraw/zinc/05/20/96/559052096.db2.gz FZXSQMVIFIEDOH-UHFFFAOYSA-N 0 0 421.478 4.567 50 0 HJAARN O=C(c1ccccc1OCC1CCN(C(=O)C2CCCCC2)CC1)N1CCCCC1 ZINC000033310317 559053915 /nfs/dbraw/zinc/05/39/15/559053915.db2.gz BIKYQUGMXQFNRB-UHFFFAOYSA-N 0 0 412.574 4.510 50 0 HJAARN COc1ccc([C@@H](C)NC(=O)c2ccc(-c3nccnc3N3CCCCC3)cc2)cc1 ZINC000033313157 559055180 /nfs/dbraw/zinc/05/51/80/559055180.db2.gz GUJMSPVNNFIPHH-GOSISDBHSA-N 0 0 416.525 4.634 50 0 HJAARN C[C@H](Sc1nnc(-c2cc3ccccc3n2C)o1)C(=O)NCCC1=CCCCC1 ZINC000033317973 559055733 /nfs/dbraw/zinc/05/57/33/559055733.db2.gz CBDKNHFPZRAKDV-HNNXBMFYSA-N 0 0 410.543 4.716 50 0 HJAARN Cc1nc(Nc2ccc(NC(=O)CCc3ccccc3)cc2)cc(N2CCCC2)n1 ZINC000033318340 559055816 /nfs/dbraw/zinc/05/58/16/559055816.db2.gz AAFNFXTVBBRHOE-UHFFFAOYSA-N 0 0 401.514 4.700 50 0 HJAARN Cc1ccc(NC(=O)COc2ccccc2-c2noc(-c3ccc(F)cc3)n2)cc1 ZINC000033324966 559058566 /nfs/dbraw/zinc/05/85/66/559058566.db2.gz MTQDOSFODACYTA-UHFFFAOYSA-N 0 0 403.413 4.869 50 0 HJAARN O=C(COc1ccccc1-c1noc(-c2ccc(Cl)cc2)n1)NCc1ccccc1 ZINC000033325143 559058618 /nfs/dbraw/zinc/05/86/18/559058618.db2.gz JERYLTMVADCJEG-UHFFFAOYSA-N 0 0 419.868 4.752 50 0 HJAARN Cc1ccc(NC(=O)Cc2c(C)nc3nc(-c4ccccc4Cl)nn3c2C)cc1 ZINC000086069682 559059254 /nfs/dbraw/zinc/05/92/54/559059254.db2.gz NBGHDBSZZCZRSY-UHFFFAOYSA-N 0 0 405.889 4.551 50 0 HJAARN COc1ccccc1NC(=O)COc1cccc(-c2noc(-c3ccc(C)cc3)n2)c1 ZINC000033327252 559059963 /nfs/dbraw/zinc/05/99/63/559059963.db2.gz AXTGBXCLYACVKZ-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN Cc1ccc(NC(=O)COc2cccc(-c3noc(-c4cccc(F)c4)n3)c2)cc1 ZINC000033327337 559060111 /nfs/dbraw/zinc/06/01/11/559060111.db2.gz RIUYETOEYQLFFF-UHFFFAOYSA-N 0 0 403.413 4.869 50 0 HJAARN CCOc1ccc(NC(=O)COc2cccc(-c3noc(-c4cccs4)n3)c2)cc1 ZINC000033327450 559060273 /nfs/dbraw/zinc/06/02/73/559060273.db2.gz PYIGRPSPKLPWFM-UHFFFAOYSA-N 0 0 421.478 4.881 50 0 HJAARN COc1ccc(CC(=O)Nc2cccc(-c3nc4cc(C)ccc4[nH]3)c2)cc1OC ZINC000033328613 559061106 /nfs/dbraw/zinc/06/11/06/559061106.db2.gz UNYXIIIHLREXLQ-UHFFFAOYSA-N 0 0 401.466 4.737 50 0 HJAARN CC(C)C(=O)N1CCN(c2ccc(NC(=O)/C=C\c3ccc(C(C)C)cc3)cc2)CC1 ZINC000033330790 559061927 /nfs/dbraw/zinc/06/19/27/559061927.db2.gz PIJBNQPMXQGTDS-AUWJEWJLSA-N 0 0 419.569 4.767 50 0 HJAARN O=S(=O)(C=Cc1ccc(Cl)cc1)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000098064846 559062691 /nfs/dbraw/zinc/06/26/91/559062691.db2.gz XCGBHAKQBLLNAD-BQYQJAHWSA-N 0 0 401.797 4.648 50 0 HJAARN O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1ccccc1SC(F)F ZINC000011372003 559067026 /nfs/dbraw/zinc/06/70/26/559067026.db2.gz XMXGDXCSFIAWFN-UHFFFAOYSA-N 0 0 404.438 4.597 50 0 HJAARN O=C(Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1cccc(OC(F)F)c1 ZINC000011451350 559076947 /nfs/dbraw/zinc/07/69/47/559076947.db2.gz MGWVDFQCTLQSML-UHFFFAOYSA-N 0 0 415.421 4.549 50 0 HJAARN CC(C)(C)OC(=O)N1CCN(c2ccc(C(F)(F)F)c(Br)c2)CC1 ZINC000095081641 559079352 /nfs/dbraw/zinc/07/93/52/559079352.db2.gz QRRBMMSTMUKSNX-UHFFFAOYSA-N 0 0 409.246 4.525 50 0 HJAARN COc1ccc(C(=O)OCc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)cc1OC ZINC000011530796 559088044 /nfs/dbraw/zinc/08/80/44/559088044.db2.gz LWYAODGXEPJZTI-DEOSSOPVSA-N 0 0 424.424 4.808 50 0 HJAARN CC(C)(C)c1ccc(OCC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1 ZINC000011534920 559088329 /nfs/dbraw/zinc/08/83/29/559088329.db2.gz LNOABGFYHQRQGJ-UHFFFAOYSA-N 0 0 406.482 4.525 50 0 HJAARN COC(=O)c1ccccc1NC(=O)N1CCC(Cc2ccc(-n3cccc3)cc2)CC1 ZINC000023304249 559088444 /nfs/dbraw/zinc/08/84/44/559088444.db2.gz QOUIBRPAMSPDLH-UHFFFAOYSA-N 0 0 417.509 4.751 50 0 HJAARN COc1cc(-c2nn3c(nnc3-c3oc4ccccc4c3C)s2)cc(OC)c1OC ZINC000096194192 559101262 /nfs/dbraw/zinc/10/12/62/559101262.db2.gz QBBDSTGHNZYHOQ-UHFFFAOYSA-N 0 0 422.466 4.600 50 0 HJAARN COc1ccc(C(=O)N(Cc2nccn2Cc2ccccc2Cl)CC(C)C)cc1 ZINC000096206660 559101346 /nfs/dbraw/zinc/10/13/46/559101346.db2.gz OVQRPCSFENVCQI-UHFFFAOYSA-N 0 0 411.933 4.892 50 0 HJAARN Cc1ccc(CN(Cc2nc(C(=O)N3CCCC3)co2)[C@@H](C)c2ccccc2)cc1 ZINC000096280014 559108581 /nfs/dbraw/zinc/10/85/81/559108581.db2.gz QEYZSWSJVZXAPF-FQEVSTJZSA-N 0 0 403.526 4.982 50 0 HJAARN O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1ccc(OC(F)F)cc1 ZINC000013985797 559112388 /nfs/dbraw/zinc/11/23/88/559112388.db2.gz QEVRRFNKHGVKCA-UHFFFAOYSA-N 0 0 422.482 4.674 50 0 HJAARN C[C@H](Sc1n[nH]c(Cc2cccs2)n1)C(=O)Nc1cccc(Cl)c1Cl ZINC000011600639 559112914 /nfs/dbraw/zinc/11/29/14/559112914.db2.gz LDWZEMYLLSFCAF-VIFPVBQESA-N 0 0 413.355 4.883 50 0 HJAARN CCCCC(=O)N1c2ncnn2[C@H](c2ccc(OC)cc2)C[C@@H]1c1ccc(C)cc1 ZINC000004816765 559114525 /nfs/dbraw/zinc/11/45/25/559114525.db2.gz ISPUYZJONSSFCV-YADHBBJMSA-N 0 0 404.514 4.853 50 0 HJAARN COc1ccccc1[C@H]1C[C@H](c2ccc(C)cc2)N(C(=O)CC(C)C)c2ncnn21 ZINC000004816946 559115001 /nfs/dbraw/zinc/11/50/01/559115001.db2.gz LOGXBOWJCANTQK-NHCUHLMSSA-N 0 0 404.514 4.709 50 0 HJAARN COc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)cc2)N(C(=O)C(C)C)c2ncnn21 ZINC000004816963 559115025 /nfs/dbraw/zinc/11/50/25/559115025.db2.gz PWHWRKZQKGDSNU-OALUTQOASA-N 0 0 410.905 4.664 50 0 HJAARN Cc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)cc1 ZINC000023314244 559115850 /nfs/dbraw/zinc/11/58/50/559115850.db2.gz SPOABIBBNIGJLC-ATIYNZHBSA-N 0 0 414.549 4.696 50 0 HJAARN COC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 ZINC000097756878 559121039 /nfs/dbraw/zinc/12/10/39/559121039.db2.gz XWLVUPQVXCXQJS-QHCPKHFHSA-N 0 0 401.462 4.830 50 0 HJAARN Cc1nc(CC(=O)N[C@H]2CCc3[nH]c4cc(Cl)cc(Cl)c4c3C2)c(C)s1 ZINC000023319803 559125686 /nfs/dbraw/zinc/12/56/86/559125686.db2.gz JPNMJWRWAHUJIQ-LBPRGKRZSA-N 0 0 408.354 4.764 50 0 HJAARN O=S(=O)(Nc1cccc(Cl)c1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098073038 559126676 /nfs/dbraw/zinc/12/66/76/559126676.db2.gz RWKLTUZDQIOIOM-UHFFFAOYSA-N 0 0 414.630 4.922 50 0 HJAARN Cc1ccc(F)cc1NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098073033 559126679 /nfs/dbraw/zinc/12/66/79/559126679.db2.gz PRXNEEVEBGQSJL-UHFFFAOYSA-N 0 0 412.202 4.716 50 0 HJAARN C[C@@]1(O)C[C@H](c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn32)C1 ZINC000100071817 559129523 /nfs/dbraw/zinc/12/95/23/559129523.db2.gz PKCDDUHJAFVJJB-VLZXCDOPSA-N 0 0 421.504 4.822 50 0 investigational HJAARN C[C@@H](NC(=O)c1ccc2oc(CCc3ccccc3)nc2c1)c1nc2ccccc2[nH]1 ZINC000011664182 559141590 /nfs/dbraw/zinc/14/15/90/559141590.db2.gz PYHZJGJYDLDRGE-MRXNPFEDSA-N 0 0 410.477 4.980 50 0 HJAARN O=C(CCc1ccccc1)Nc1nc2n(n1)[C@@H](c1ccccc1)CC(c1ccccc1)=N2 ZINC000101087558 559143183 /nfs/dbraw/zinc/14/31/83/559143183.db2.gz IXEXMCXSNPAMOV-HSZRJFAPSA-N 0 0 421.504 4.905 50 0 HJAARN Cc1ccc(C(=O)Nc2cccc(-c3ccc4nnc(-c5cccnc5)n4n3)c2)cc1C ZINC000011665560 559143823 /nfs/dbraw/zinc/14/38/23/559143823.db2.gz PTKLBIXSHKJTDR-UHFFFAOYSA-N 0 0 420.476 4.722 50 0 HJAARN O=C(Oc1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)c1ccc(Cl)cc1Cl ZINC000101319352 559146351 /nfs/dbraw/zinc/14/63/51/559146351.db2.gz UGPUGCYQKSZANE-HOTGVXAUSA-N 0 0 416.260 4.668 50 0 HJAARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccccc3OCC(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 ZINC000101880091 559148230 /nfs/dbraw/zinc/14/82/30/559148230.db2.gz BLEMRCDJRLGILC-JLSDUUJJSA-N 0 0 411.885 4.527 50 0 HJAARN CCOC(=O)c1nnc(-c2ncc(C(F)(F)F)cc2Cl)nc1Nc1ccccc1 ZINC000263639968 559167732 /nfs/dbraw/zinc/16/77/32/559167732.db2.gz QIAVROZGNAXJOV-UHFFFAOYSA-N 0 0 423.782 4.526 50 0 HJAARN CCCCC(=O)n1nc(-c2ccco2)nc1NCc1cccc(Br)c1 ZINC000014610959 559171022 /nfs/dbraw/zinc/17/10/22/559171022.db2.gz NGWCGSOKCMBZGL-UHFFFAOYSA-N 0 0 403.280 4.743 50 0 HJAARN Cc1nnc(-c2cc(C(C)(C)C)n(-c3ccc(C(=O)N(C)C4CCCCC4)cc3)n2)o1 ZINC000023333215 559171806 /nfs/dbraw/zinc/17/18/06/559171806.db2.gz RYMHANQTDRBJDD-UHFFFAOYSA-N 0 0 421.545 4.933 50 0 HJAARN CC(=O)Oc1ccc(-c2ccc(C(=O)O[C@H](C)C(=O)c3ccc(F)c(F)c3)cc2)cc1 ZINC000014674438 559172136 /nfs/dbraw/zinc/17/21/36/559172136.db2.gz MDPAJDWUEQCUJS-CQSZACIVSA-N 0 0 424.399 4.985 50 0 HJAARN CCCCN(C)C(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 ZINC000023335923 559172435 /nfs/dbraw/zinc/17/24/35/559172435.db2.gz LXHBODILUDWFFW-UHFFFAOYSA-N 0 0 408.498 4.800 50 0 HJAARN Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)N4C[C@H](C)C[C@H](C)C4)c3)n2)o1 ZINC000023334543 559172737 /nfs/dbraw/zinc/17/27/37/559172737.db2.gz ZHUMRXTZJUGERR-CALCHBBNSA-N 0 0 421.545 4.547 50 0 HJAARN COc1ccc(C(=O)NCc2ccc(-c3nc(-c4ccc(F)cc4)c[nH]3)cc2)cc1 ZINC000023428912 559174339 /nfs/dbraw/zinc/17/43/39/559174339.db2.gz LPJOJPKVTCOFEV-UHFFFAOYSA-N 0 0 401.441 4.821 50 0 HJAARN COc1cc(C(=O)N2CCc3ccccc3[C@@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000023434263 559174532 /nfs/dbraw/zinc/17/45/32/559174532.db2.gz QFVOHEBGIGSJKW-QHCPKHFHSA-N 0 0 421.468 4.639 50 0 HJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccco3)c2)n(-c2ccccc2F)n1 ZINC000023457845 559176216 /nfs/dbraw/zinc/17/62/16/559176216.db2.gz JDJDEFFDYIFOEK-UHFFFAOYSA-N 0 0 419.412 4.700 50 0 HJAARN CC[C@H](C(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1)c1ccccc1 ZINC000220689680 559176477 /nfs/dbraw/zinc/17/64/77/559176477.db2.gz KQWLVGBLFFFMST-HKUYNNGSSA-N 0 0 407.489 4.851 50 0 HJAARN CN(Cc1cc(Br)cs1)C(=O)c1cc(Br)cnc1Cl ZINC000050045426 559178484 /nfs/dbraw/zinc/17/84/84/559178484.db2.gz IYFLDUPFCVAMGD-UHFFFAOYSA-N 0 0 424.545 4.594 50 0 HJAARN O=C(NCCOc1ccc(-c2cccs2)nn1)Nc1ccc(Cl)cc1Cl ZINC000011694493 559188244 /nfs/dbraw/zinc/18/82/44/559188244.db2.gz AVIVSSBMTIFICM-UHFFFAOYSA-N 0 0 409.298 4.712 50 0 HJAARN O=C(Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2)c1ccc(Cl)c(Cl)c1 ZINC000011695803 559189095 /nfs/dbraw/zinc/18/90/95/559189095.db2.gz ZWYVGECQUSUWKH-UHFFFAOYSA-N 0 0 412.276 4.844 50 0 HJAARN Cc1cccc(NC(=O)CSc2nnc(NC(=O)Nc3ccccc3)s2)c1C ZINC000004851550 559191188 /nfs/dbraw/zinc/19/11/88/559191188.db2.gz ZBDQRVXXTRBHFZ-UHFFFAOYSA-N 0 0 413.528 4.530 50 0 HJAARN Cc1ccc(C)c(NC(=O)CSc2nccn(-c3ccc(C)c(Cl)c3)c2=O)c1 ZINC000004853076 559191654 /nfs/dbraw/zinc/19/16/54/559191654.db2.gz ARNDIXZBLWGITI-UHFFFAOYSA-N 0 0 413.930 4.542 50 0 HJAARN CSc1nc2n(n1)[C@@H](c1cccs1)C(C(=O)Nc1ccc(C)cc1C)=C(C)N2 ZINC000004878977 559195914 /nfs/dbraw/zinc/19/59/14/559195914.db2.gz FGDGMBSHHZEISN-KRWDZBQOSA-N 0 0 411.556 4.606 50 0 HJAARN CCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3)nn2[C@H]1c1ccc(C)cc1 ZINC000004879045 559195961 /nfs/dbraw/zinc/19/59/61/559195961.db2.gz FSMIVEUXRDPLCR-FQEVSTJZSA-N 0 0 420.538 4.731 50 0 HJAARN Cc1cc(C)c(Cn2c3ccsc3c(=O)n(-c3ccc(C)c(F)c3)c2=O)c(C)c1 ZINC000004882370 559197227 /nfs/dbraw/zinc/19/72/27/559197227.db2.gz QFQGLZAJWWVVKM-UHFFFAOYSA-N 0 0 408.498 4.635 50 0 HJAARN COc1ccc(C(=O)N2C(=S)C(c3ccc(C)cc3)=NC23CCCC3)cc1OC ZINC000004891962 559198645 /nfs/dbraw/zinc/19/86/45/559198645.db2.gz DRFYTHPOVYYYQN-UHFFFAOYSA-N 0 0 408.523 4.555 50 0 HJAARN COc1ccc(C(=O)N2C(=S)C(c3ccccc3)=NC23CCCCC3)cc1OC ZINC000004891985 559198652 /nfs/dbraw/zinc/19/86/52/559198652.db2.gz VZBCMEPYGBOLPL-UHFFFAOYSA-N 0 0 408.523 4.637 50 0 HJAARN Cc1ccc(C2=NN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](c3ccco3)C2)cc1 ZINC000004899053 559199047 /nfs/dbraw/zinc/19/90/47/559199047.db2.gz MHQHJMDEDDQYAE-IBGZPJMESA-N 0 0 400.887 4.781 50 0 HJAARN COc1ccc(Cn2c(CCC(=O)Nc3ccc(C)c(C)c3)nc3cccnc32)cc1 ZINC000004900970 559199666 /nfs/dbraw/zinc/19/96/66/559199666.db2.gz NPXJYHJKWOYMKB-UHFFFAOYSA-N 0 0 414.509 4.676 50 0 HJAARN Cn1c2ccccc2c2c1c(=O)n(C1CCCC1)cc2C(=O)NCc1cccs1 ZINC000004904639 559200414 /nfs/dbraw/zinc/20/04/14/559200414.db2.gz GFHWQJCFUWLZAA-UHFFFAOYSA-N 0 0 405.523 4.600 50 0 HJAARN Cc1nn(C(C)(C)C)c(OC(=O)CC2CCCCC2)c1S(=O)(=O)c1ccccc1 ZINC000004907403 559200723 /nfs/dbraw/zinc/20/07/23/559200723.db2.gz LVERCJXLBGZUKT-UHFFFAOYSA-N 0 0 418.559 4.655 50 0 HJAARN Cc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(C(C)(C)C)C2)cc1C ZINC000004910865 559202439 /nfs/dbraw/zinc/20/24/39/559202439.db2.gz GLHBWGKNDPHFIE-IBGZPJMESA-N 0 0 405.542 4.847 50 0 HJAARN COc1ccc(N2C(=O)c3c(c4ccccc4n3C)[C@@H]2c2ccc(OC)c(O)c2)cc1 ZINC000004913242 559202928 /nfs/dbraw/zinc/20/29/28/559202928.db2.gz YKUOSEDWEFJCGK-QHCPKHFHSA-N 0 0 414.461 4.651 50 0 HJAARN COC(=O)c1ccccc1N[C@H]1c2ccccc2C(=O)N1Cc1ccccc1Cl ZINC000004915053 559203441 /nfs/dbraw/zinc/20/34/41/559203441.db2.gz OZBPJFFRSACOLX-OAQYLSRUSA-N 0 0 406.869 4.893 50 0 HJAARN COc1cc(N[C@@H]2c3ccccc3C(=O)N2c2ccccc2C)cc(OC)c1OC ZINC000004918781 559204672 /nfs/dbraw/zinc/20/46/72/559204672.db2.gz YQUUGWXEZZCYSS-QHCPKHFHSA-N 0 0 404.466 4.792 50 0 HJAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000004928860 559208546 /nfs/dbraw/zinc/20/85/46/559208546.db2.gz XMIRAKJJTYUDJD-QFIPXVFZSA-N 0 0 417.509 4.942 50 0 HJAARN CCCN1Cc2cccc(C(=O)Nc3cccc(-c4nc5ccccc5[nH]4)c3)c2C1=O ZINC000004929319 559208844 /nfs/dbraw/zinc/20/88/44/559208844.db2.gz PTQKIDUBIZDUQQ-UHFFFAOYSA-N 0 0 410.477 4.848 50 0 HJAARN COc1ccc(-c2cn3c(C)c(C(=O)N4c5ccccc5C[C@@H]4C)sc3n2)cc1 ZINC000004930962 559209721 /nfs/dbraw/zinc/20/97/21/559209721.db2.gz PUACFSKIXNMSHT-AWEZNQCLSA-N 0 0 403.507 4.971 50 0 HJAARN COc1ccccc1-c1cc2nc(C)c(CCC(=O)Nc3ccc(C)cc3)c(C)n2n1 ZINC000004935700 559210509 /nfs/dbraw/zinc/21/05/09/559210509.db2.gz INBATSLYIVDVQE-UHFFFAOYSA-N 0 0 414.509 4.901 50 0 HJAARN O=C(NC1CCCCCCC1)c1cccn2c(=O)c3c4c(sc3nc12)CCCC4 ZINC000004971763 559220896 /nfs/dbraw/zinc/22/08/96/559220896.db2.gz LTACGTQXSFZLOW-UHFFFAOYSA-N 0 0 409.555 4.631 50 0 HJAARN CCOc1ccc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1 ZINC000004992129 559224863 /nfs/dbraw/zinc/22/48/63/559224863.db2.gz QKSYSXPYJUJUQH-UHFFFAOYSA-N 0 0 408.523 4.903 50 0 HJAARN CCCNC(=O)c1c(N)n(-c2ccc([C@H](C)CC)cc2)c2nc3ccccc3nc12 ZINC000005021717 559229308 /nfs/dbraw/zinc/22/93/08/559229308.db2.gz CXXATDQOOFXOLF-OAHLLOKOSA-N 0 0 401.514 4.809 50 0 HJAARN COc1cc(NC(=O)c2cc3c(s2)-c2c(C)cccc2OC3)cc(OC)c1OC ZINC000005048110 559236963 /nfs/dbraw/zinc/23/69/63/559236963.db2.gz BTQPWSPKDRRENZ-UHFFFAOYSA-N 0 0 411.479 4.894 50 0 HJAARN Cc1ccc(N(C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]2C=CS(=O)(=O)C2)cc1Cl ZINC000005070750 559241289 /nfs/dbraw/zinc/24/12/89/559241289.db2.gz AGDWJPYOYHRSMR-QPRVAFDKSA-N 0 0 419.974 4.509 50 0 HJAARN Cc1ccc(N(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1Cl ZINC000005070785 559241327 /nfs/dbraw/zinc/24/13/27/559241327.db2.gz MCGWIRRHUOESLX-LJQANCHMSA-N 0 0 417.958 4.903 50 0 HJAARN O=C(COc1ccc2ccccc2c1)Nc1ccc(-c2cn3c(n2)SCC3)cc1 ZINC000005083881 559242288 /nfs/dbraw/zinc/24/22/88/559242288.db2.gz NUDGURBFXWAKGP-UHFFFAOYSA-N 0 0 401.491 4.827 50 0 HJAARN Cc1occc1-c1nnc(SCC(=O)N(Cc2ccco2)C2=CCCCC2)n1C ZINC000005084935 559242417 /nfs/dbraw/zinc/24/24/17/559242417.db2.gz KLLXWFRCMPIHFZ-UHFFFAOYSA-N 0 0 412.515 4.555 50 0 HJAARN O=C(CSc1nncn1-c1ccccc1F)N(Cc1ccco1)C1=CCCCC1 ZINC000005087383 559243116 /nfs/dbraw/zinc/24/31/16/559243116.db2.gz UFQWABALFWHCQX-UHFFFAOYSA-N 0 0 412.490 4.578 50 0 HJAARN Cc1nc(SCC(=O)Nc2ccc(N3CCCCC3)cc2)n(CC(C)C)c1C ZINC000005093804 559244400 /nfs/dbraw/zinc/24/44/00/559244400.db2.gz DXAGSSPHJMJGDV-UHFFFAOYSA-N 0 0 400.592 4.877 50 0 HJAARN CCCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)C1CC1 ZINC000005097290 559245070 /nfs/dbraw/zinc/24/50/70/559245070.db2.gz NLVYINGRZXDYRZ-UHFFFAOYSA-N 0 0 410.558 4.588 50 0 HJAARN CCOc1ccc2nc(N3CCC[C@@H](C(=O)N[C@@H](C)c4ccccc4)C3)sc2c1 ZINC000005105692 559245784 /nfs/dbraw/zinc/24/57/84/559245784.db2.gz IVZJVHLZIRVYDR-FUHWJXTLSA-N 0 0 409.555 4.789 50 0 HJAARN CCCSCCCNC(=O)[C@H]1CCCN(c2nc3ccc(OCC)cc3s2)C1 ZINC000005106279 559245905 /nfs/dbraw/zinc/24/59/05/559245905.db2.gz CPIIOZZQTKABDE-INIZCTEOSA-N 0 0 421.632 4.561 50 0 HJAARN CCOC(=O)CCc1c(C)c2cc(Cl)c(OCc3ccccc3F)cc2oc1=O ZINC000005111318 559247004 /nfs/dbraw/zinc/24/70/04/559247004.db2.gz KFVIIUWRYNMGSU-UHFFFAOYSA-N 0 0 418.848 4.969 50 0 HJAARN Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)c1ccc(Br)o1 ZINC000005137110 559250005 /nfs/dbraw/zinc/25/00/05/559250005.db2.gz DKKHHNJEEPTUIV-UHFFFAOYSA-N 0 0 409.280 4.586 50 0 HJAARN Cc1cc2nc(N(Cc3cccnc3)C(=O)COc3ccccc3)sc2c(C)c1 ZINC000005142380 559251904 /nfs/dbraw/zinc/25/19/04/559251904.db2.gz GUMCPKKMXZPNBZ-UHFFFAOYSA-N 0 0 403.507 4.920 50 0 HJAARN CCOc1ccc(C(=O)NCCc2csc(-c3ccc(F)cc3)n2)cc1OCC ZINC000005146275 559252566 /nfs/dbraw/zinc/25/25/66/559252566.db2.gz LSRNEMNYOOAQKL-UHFFFAOYSA-N 0 0 414.502 4.719 50 0 HJAARN CCOc1ccc(-c2cn3c(CC(=O)Nc4ccc(F)cc4F)csc3n2)cc1 ZINC000005146986 559252800 /nfs/dbraw/zinc/25/28/00/559252800.db2.gz AENWPKCEDKJPNS-UHFFFAOYSA-N 0 0 413.449 4.921 50 0 HJAARN Cc1nc(SCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)n(CC(C)C)c1C ZINC000005152089 559254149 /nfs/dbraw/zinc/25/41/49/559254149.db2.gz WGLNYROIGRNNMN-UHFFFAOYSA-N 0 0 411.575 4.689 50 0 HJAARN CCCN(C)C(=O)Cc1ccc(N(Cc2ccccc2)C(=O)c2ccccc2)cc1 ZINC000037557072 559255320 /nfs/dbraw/zinc/25/53/20/559255320.db2.gz HRMLLNUHJFCEMR-UHFFFAOYSA-N 0 0 400.522 4.945 50 0 HJAARN O=c1c2ccccc2c(-c2nc(-c3cccnc3)no2)cn1-c1cccc(Cl)c1 ZINC000038487262 559255819 /nfs/dbraw/zinc/25/58/19/559255819.db2.gz UFDFEPIOAJIANQ-UHFFFAOYSA-N 0 0 400.825 4.756 50 0 HJAARN CCOc1ccccc1C(=O)N1CCN=C1SCc1ccc(Br)cc1 ZINC000011757676 559257670 /nfs/dbraw/zinc/25/76/70/559257670.db2.gz NFRGXPWKZTXNGF-UHFFFAOYSA-N 0 0 419.344 4.593 50 0 HJAARN Fc1ccc(Cn2nnc3c2ncnc3SCc2cccc(C(F)(F)F)c2)cc1 ZINC000011758505 559257855 /nfs/dbraw/zinc/25/78/55/559257855.db2.gz QGKPWGLBKYJMFZ-UHFFFAOYSA-N 0 0 419.407 4.720 50 0 HJAARN COc1ccc(-n2nnc3c2ncnc3SCc2ccc(Cl)cc2Cl)cc1 ZINC000011758696 559258043 /nfs/dbraw/zinc/25/80/43/559258043.db2.gz CBJZPPGEIFASEN-UHFFFAOYSA-N 0 0 418.309 4.818 50 0 HJAARN COc1ccccc1NC(=O)Cc1csc(-c2ccc(OC(F)(F)F)cc2)n1 ZINC000011865880 559263875 /nfs/dbraw/zinc/26/38/75/559263875.db2.gz KYHZRIZRHPYKHC-UHFFFAOYSA-N 0 0 408.401 4.899 50 0 HJAARN COc1cc(OC)cc([C@@H]2CC(=O)c3c(C)cc4oc(=O)c5c(c4c3O2)CCCC5)c1 ZINC000011866483 559264200 /nfs/dbraw/zinc/26/42/00/559264200.db2.gz IDQSJGJUMMEPLE-FQEVSTJZSA-N 0 0 420.461 4.704 50 0 biogenic HJAARN Cc1noc(C)c1[C@H](C)C(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000248139594 559265233 /nfs/dbraw/zinc/26/52/33/559265233.db2.gz FGESCXLLCXDJMD-IHSNIMORSA-N 0 0 412.530 4.977 50 0 HJAARN COc1cccc2c(C)cc3nnc(SCC(=O)c4cc5ccccc5o4)n3c12 ZINC000011903247 559265776 /nfs/dbraw/zinc/26/57/76/559265776.db2.gz JGTMDQQAYIZTPX-UHFFFAOYSA-N 0 0 403.463 4.921 50 0 HJAARN Cc1nc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)sc1C(=O)OCC(C)C ZINC000011916134 559267238 /nfs/dbraw/zinc/26/72/38/559267238.db2.gz PCYFJISBDPITAR-UHFFFAOYSA-N 0 0 419.890 4.825 50 0 HJAARN Cc1cccc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCCCC2)c1C ZINC000011914571 559267572 /nfs/dbraw/zinc/26/75/72/559267572.db2.gz YVQQGOZMCHMKBC-OAQYLSRUSA-N 0 0 400.950 4.679 50 0 HJAARN CCCOc1cccc(C(=O)Nc2nonc2-c2ccc(Br)cc2)c1 ZINC000011917317 559267979 /nfs/dbraw/zinc/26/79/79/559267979.db2.gz POVFIGBIKXRCIO-UHFFFAOYSA-N 0 0 402.248 4.540 50 0 HJAARN COc1cc(OC)c(C2=CCN(C(=O)c3cc4ccccc4cc3O)CC2)c(OC)c1 ZINC000011918510 559268090 /nfs/dbraw/zinc/26/80/90/559268090.db2.gz NBYIPDKRFRHBFC-UHFFFAOYSA-N 0 0 419.477 4.501 50 0 HJAARN C[C@@H](CNC(=O)c1ccc(Cl)c(Cl)c1)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000003114992 559275500 /nfs/dbraw/zinc/27/55/00/559275500.db2.gz NROYTTGCZJBNHG-VIFPVBQESA-N 0 0 420.123 4.849 50 0 HJAARN COc1ccc(NC(=O)CSc2nn(-c3ccc(F)cc3)c(=S)s2)cc1 ZINC000005176034 559288758 /nfs/dbraw/zinc/28/87/58/559288758.db2.gz HIWBGJJWAANWFY-UHFFFAOYSA-N 0 0 407.517 4.542 50 0 HJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccc2F)N1Cc1ccco1 ZINC000005178612 559289246 /nfs/dbraw/zinc/28/92/46/559289246.db2.gz FOMSFYNLRWUPON-LJQANCHMSA-N 0 0 409.800 4.924 50 0 HJAARN CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc2c1C[C@H](C)CC2 ZINC000005193445 559291630 /nfs/dbraw/zinc/29/16/30/559291630.db2.gz JSCSXXCVXWHETR-GFCCVEGCSA-N 0 0 407.919 4.721 50 0 HJAARN Cc1cc(-c2ccccc2)n(Cc2ccccc2)c(=O)c1S(=O)(=O)c1ccccc1 ZINC000004090569 560193373 /nfs/dbraw/zinc/19/33/73/560193373.db2.gz HGFBODQXMGNAAQ-UHFFFAOYSA-N 0 0 415.514 4.705 50 0 in-vitro HJAARN COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000004081646 560193384 /nfs/dbraw/zinc/19/33/84/560193384.db2.gz ZHUOOEGSSFNTNP-YUOXLNDWSA-N 0 0 406.607 4.566 50 0 biogenic,in-vitro HJAARN COc1cc(C(=O)Nc2cccc3c2ccn3Cc2ccccc2)cc(OC)c1OC ZINC000061720697 560536771 /nfs/dbraw/zinc/53/67/71/560536771.db2.gz JOIWQDZDETVAPK-UHFFFAOYSA-N 0 0 416.477 4.968 50 0 HJAARN CC(C)c1ccc(-c2noc(CN(Cc3cccc(O)c3)C3CCC(O)CC3)n2)cc1 ZINC000078743003 560540771 /nfs/dbraw/zinc/54/07/71/560540771.db2.gz YBQBGZYSNZLBNT-UHFFFAOYSA-N 0 0 421.541 4.871 50 0 HJAARN Cn1ccnc1SCc1ccc(C(=O)N2CC[C@](C)(CCc3ccccc3)C2)o1 ZINC000079050539 560541555 /nfs/dbraw/zinc/54/15/55/560541555.db2.gz VEDXYVOAEDTSSQ-QHCPKHFHSA-N 0 0 409.555 4.790 50 0 HJAARN O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1cccc(O)c1 ZINC000080348312 560541942 /nfs/dbraw/zinc/54/19/42/560541942.db2.gz JZXFKOZAZFGLGV-UHFFFAOYSA-N 0 0 411.430 4.660 50 0 HJAARN COc1ccc([C@@H]2CC(c3ccccc3OC(C)=O)=NN2C(=O)c2ccccc2)cc1 ZINC000005217346 560543814 /nfs/dbraw/zinc/54/38/14/560543814.db2.gz CJYPYUBEIBXZBH-QHCPKHFHSA-N 0 0 414.461 4.612 50 0 HJAARN CCOc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccc(OC)c(OC)c2)cc1 ZINC000005256218 560552416 /nfs/dbraw/zinc/55/24/16/560552416.db2.gz LCIMZPZYOMTPTH-QHCPKHFHSA-N 0 0 421.497 4.541 50 0 HJAARN O=C(CCOc1ccccc1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1 ZINC000005265218 560553510 /nfs/dbraw/zinc/55/35/10/560553510.db2.gz UDYPFGLCKVKYNU-UHFFFAOYSA-N 0 0 407.470 4.833 50 0 HJAARN CCCOc1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 ZINC000002502547 560559964 /nfs/dbraw/zinc/55/99/64/560559964.db2.gz VCHBRQAKDFFHRI-QHCPKHFHSA-N 0 0 408.523 4.791 50 0 HJAARN Cc1ccc2nc(NC(=O)c3cccn(Cc4ccc(Cl)cc4)c3=O)sc2c1 ZINC000005269423 560560199 /nfs/dbraw/zinc/56/01/99/560560199.db2.gz VDNLHSCVQZWKNB-UHFFFAOYSA-N 0 0 409.898 4.720 50 0 HJAARN COc1ccc(OC)c(-c2cc3ccc(OC(=O)c4cccs4)cc3oc2=O)c1 ZINC000005269404 560560258 /nfs/dbraw/zinc/56/02/58/560560258.db2.gz CVLNJAIVXRRXEC-UHFFFAOYSA-N 0 0 408.431 4.758 50 0 HJAARN O=C(Nc1cc(F)ccc1F)c1cccn(Cc2ccc(Cl)cc2Cl)c1=O ZINC000005270847 560560908 /nfs/dbraw/zinc/56/09/08/560560908.db2.gz DZNDTXNLMOGJRP-UHFFFAOYSA-N 0 0 409.219 4.734 50 0 HJAARN Cc1ccc(-c2csc(N3N=C4c5ccccc5C[C@H]4[C@]3(O)C(F)(F)F)n2)cc1 ZINC000005275028 560561605 /nfs/dbraw/zinc/56/16/05/560561605.db2.gz XVRQJTVUQZTZMR-UZLBHIALSA-N 0 0 415.440 4.766 50 0 HJAARN O=C(NCC(F)(F)F)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000005298207 560562433 /nfs/dbraw/zinc/56/24/33/560562433.db2.gz RPFIGZDEAYASES-UHFFFAOYSA-N 0 0 412.411 4.749 50 0 HJAARN C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)Nc1ccc(F)cc1 ZINC000005333274 560566727 /nfs/dbraw/zinc/56/67/27/560566727.db2.gz VLSZUFLRAGDXRY-GFCCVEGCSA-N 0 0 400.454 4.678 50 0 HJAARN O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)c1ccccc1F ZINC000005356927 560569599 /nfs/dbraw/zinc/56/95/99/560569599.db2.gz APEBIELTSYYBGG-UHFFFAOYSA-N 0 0 408.433 4.583 50 0 HJAARN CCOc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3cccc(Cl)c3)o2)cc1 ZINC000005391811 560582321 /nfs/dbraw/zinc/58/23/21/560582321.db2.gz KFDUUQHLBMVUHD-CYBMUJFWSA-N 0 0 417.918 4.758 50 0 HJAARN CSCC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1nnc2ccccn21 ZINC000005425519 560584930 /nfs/dbraw/zinc/58/49/30/560584930.db2.gz ALSOLNIRLNSDRH-FQEVSTJZSA-N 0 0 402.523 4.621 50 0 HJAARN CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000005423342 560585341 /nfs/dbraw/zinc/58/53/41/560585341.db2.gz QQNIZIMFHGDFMX-UHFFFAOYSA-N 0 0 423.513 4.714 50 0 HJAARN CCOc1ccccc1Nc1nnc(SCCOc2ccc(OC)cc2)s1 ZINC000002617159 560585809 /nfs/dbraw/zinc/58/58/09/560585809.db2.gz LYAXQFRZVKFKOT-UHFFFAOYSA-N 0 0 403.529 4.860 50 0 HJAARN O=C(COC(=O)CCN1c2ccccc2Sc2ccccc21)NCc1ccccc1 ZINC000002635225 560586595 /nfs/dbraw/zinc/58/65/95/560586595.db2.gz ISFDHPZKLGNHOP-UHFFFAOYSA-N 0 0 418.518 4.539 50 0 HJAARN COc1ccc(C(=O)CSc2nnc(Nc3c(C)cccc3C)s2)c(OC)c1 ZINC000002648194 560587054 /nfs/dbraw/zinc/58/70/54/560587054.db2.gz VHZGSYZNFWMFRN-UHFFFAOYSA-N 0 0 415.540 4.891 50 0 HJAARN Cc1ccc(C(=O)[C@H]2C(C=Cc3ccccc3)=NO[C@]23C(=O)Nc2ccccc23)cc1 ZINC000005451718 560589211 /nfs/dbraw/zinc/58/92/11/560589211.db2.gz VJVMMTXDAXEZJD-XBBJSIGRSA-N 0 0 408.457 4.741 50 0 HJAARN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1c2ccccc2nc2c1CCCCC2 ZINC000003256019 560590734 /nfs/dbraw/zinc/59/07/34/560590734.db2.gz QFIAEVCXDKSVHV-QGZVFWFLSA-N 0 0 414.505 4.638 50 0 HJAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1c(F)cccc1F)CC2 ZINC000003282963 560591472 /nfs/dbraw/zinc/59/14/72/560591472.db2.gz HAOBBDDKMHZRLU-NRFANRHFSA-N 0 0 415.461 4.831 50 0 HJAARN CN(CC(=O)Nc1ccccc1Br)Cc1cccc(Cl)c1Cl ZINC000003439315 560594698 /nfs/dbraw/zinc/59/46/98/560594698.db2.gz HZHYSBDCQLHDAG-UHFFFAOYSA-N 0 0 402.119 4.826 50 0 HJAARN CSc1nc2c3c4c(c(-c5ccco5)nc3sc2c(NC[C@@H](C)O)n1)CCC4 ZINC000005477701 560594724 /nfs/dbraw/zinc/59/47/24/560594724.db2.gz WMVSOJYSSSHUIQ-SNVBAGLBSA-N 0 0 412.540 4.503 50 0 HJAARN CC1(C)c2ccccc2N2CC(=O)N[C@]21/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000005477764 560594774 /nfs/dbraw/zinc/59/47/74/560594774.db2.gz HZKBAAWJGMMBIJ-NUKGXUILSA-N 0 0 410.517 4.903 50 0 HJAARN CCCOc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1OC ZINC000005477943 560594937 /nfs/dbraw/zinc/59/49/37/560594937.db2.gz PSSARGDWEHDKFO-DKOVKCOZSA-N 0 0 406.526 4.511 50 0 HJAARN COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(F)cc3Cl)o2)cc1 ZINC000003458915 560595558 /nfs/dbraw/zinc/59/55/58/560595558.db2.gz IIDDEGYFBDQGQL-SNVBAGLBSA-N 0 0 407.854 4.657 50 0 HJAARN Clc1ccc2c(c1)C1=C([C@@H](c3cccnc3)N3NC=NC3=N1)[C@H](c1ccccc1)O2 ZINC000005516449 560604382 /nfs/dbraw/zinc/60/43/82/560604382.db2.gz BCWVHXCPRQTUQB-YADHBBJMSA-N 0 0 413.868 4.539 50 0 HJAARN C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000004286366 560604841 /nfs/dbraw/zinc/60/48/41/560604841.db2.gz BJLULHBWLRCHEU-LBPRGKRZSA-N 0 0 405.281 4.978 50 0 HJAARN Cc1noc(C)c1COc1cccc(C(=O)OCCOc2ccccc2Cl)c1 ZINC000004318271 560605212 /nfs/dbraw/zinc/60/52/12/560605212.db2.gz SSSDKAYJZYLIHT-UHFFFAOYSA-N 0 0 401.846 4.760 50 0 HJAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)OCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000004547115 560607174 /nfs/dbraw/zinc/60/71/74/560607174.db2.gz DUVUQWZJPRUIAN-QFIPXVFZSA-N 0 0 417.486 4.583 50 0 HJAARN CSc1cccc(NC(=O)c2nnn(Cc3ccccc3F)c2-c2ccncc2)c1 ZINC000206647730 560615829 /nfs/dbraw/zinc/61/58/29/560615829.db2.gz YSFOQNCYTHKNBM-UHFFFAOYSA-N 0 0 419.485 4.502 50 0 HJAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCCN(c2cc(C3CC3)ncn2)C1 ZINC000206655627 560624512 /nfs/dbraw/zinc/62/45/12/560624512.db2.gz GDVAXTUWIJULTM-CYBMUJFWSA-N 0 0 424.854 4.881 50 0 HJAARN CCCCCCOc1ccccc1/C=c1/sc2nc(-c3ccc(C)cc3)nn2c1=O ZINC000005478047 560626747 /nfs/dbraw/zinc/62/67/47/560626747.db2.gz SMWNYJNNTFHGLL-LTGZKZEYSA-N 0 0 419.550 4.633 50 0 HJAARN Cc1ccc(OC[C@H](O)Cn2c(COc3cccc(C)c3)nc3ccccc32)cc1 ZINC000005588807 560627167 /nfs/dbraw/zinc/62/71/67/560627167.db2.gz HVKAYTICWFUEKN-HXUWFJFHSA-N 0 0 402.494 4.672 50 0 HJAARN CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2c(F)cccc2Cl)NC(=S)N1 ZINC000006046815 560629340 /nfs/dbraw/zinc/62/93/40/560629340.db2.gz GNPGHBRKPYVROK-MRXNPFEDSA-N 0 0 410.301 4.564 50 0 HJAARN Cc1cc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)no1 ZINC000005624126 560632961 /nfs/dbraw/zinc/63/29/61/560632961.db2.gz KSTDGGFCHBPUJB-UHFFFAOYSA-N 0 0 419.510 4.578 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)COC(=O)COc1ccc(Cl)cc1Cl ZINC000005655756 560636843 /nfs/dbraw/zinc/63/68/43/560636843.db2.gz KWOMTUBRRHUGGL-UHFFFAOYSA-N 0 0 402.661 4.516 50 0 HJAARN O=C(COc1cccc(Br)c1)Nc1ccc(Br)cc1Cl ZINC000008735867 560638572 /nfs/dbraw/zinc/63/85/72/560638572.db2.gz XEFAMNNFZSHDEW-UHFFFAOYSA-N 0 0 419.500 4.883 50 0 HJAARN O=C(CSc1nc(CC(=O)NC2CCCCC2)cs1)Nc1ccc(Cl)cc1 ZINC000008852316 560639964 /nfs/dbraw/zinc/63/99/64/560639964.db2.gz SLZXEGOEBSUGIO-UHFFFAOYSA-N 0 0 423.991 4.519 50 0 HJAARN COc1ccc(CCNC(=O)Cc2csc(SCc3ccc(C)cc3)n2)cc1 ZINC000008936382 560640513 /nfs/dbraw/zinc/64/05/13/560640513.db2.gz JRHJXWXTAREZGR-UHFFFAOYSA-N 0 0 412.580 4.654 50 0 HJAARN COc1cccc(Nc2nc(N3CCC(C)CC3)nc3c2cnn3-c2ccccc2)c1 ZINC000017246128 560704687 /nfs/dbraw/zinc/70/46/87/560704687.db2.gz QHWWVFMKDBEKLF-UHFFFAOYSA-N 0 0 414.513 4.804 50 0 HJAARN CCOc1ccc(Nc2nc(N(CC)CC)nc3c2cnn3-c2ccccc2)cc1 ZINC000017288110 560705997 /nfs/dbraw/zinc/70/59/97/560705997.db2.gz ZPFVPGOKEIHJLR-UHFFFAOYSA-N 0 0 402.502 4.804 50 0 HJAARN CCCCN(C)c1nc2c(cnn2-c2ccccc2)c(Nc2cccc(OC)c2)n1 ZINC000017270239 560706551 /nfs/dbraw/zinc/70/65/51/560706551.db2.gz LTGQLKKEGLVYPV-UHFFFAOYSA-N 0 0 402.502 4.804 50 0 HJAARN COc1cccc([C@@H](Nc2nc(-c3cccnc3)nc3ccccc32)c2nccn2C)c1 ZINC000017591161 560720023 /nfs/dbraw/zinc/72/00/23/560720023.db2.gz JNVDWRNYBABBKB-JOCHJYFZSA-N 0 0 422.492 4.635 50 0 HJAARN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(OCC)cc2)c1 ZINC000000724767 560725544 /nfs/dbraw/zinc/72/55/44/560725544.db2.gz AICPNPHXOIUOBJ-UHFFFAOYSA-N 0 0 419.934 4.604 50 0 HJAARN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)c3ccc(OC)cc3)n2C)cc1 ZINC000001061352 560727007 /nfs/dbraw/zinc/72/70/07/560727007.db2.gz KWBIEXNWWNFILR-HNNXBMFYSA-N 0 0 411.527 4.501 50 0 HJAARN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cccc3ccccc32)c1 ZINC000001096059 560728030 /nfs/dbraw/zinc/72/80/30/560728030.db2.gz IIUSHDUNFAKDLW-UHFFFAOYSA-N 0 0 411.914 4.969 50 0 HJAARN C[C@@H](C(=O)N1[C@H](C)CCC[C@H]1C)n1nc(C(F)(F)F)c(Br)c1C1CC1 ZINC000102637783 560731461 /nfs/dbraw/zinc/73/14/61/560731461.db2.gz YANHPWOAIVBODE-MXWKQRLJSA-N 0 0 422.289 4.892 50 0 HJAARN COc1ccc(NC(=O)CN(C)C(=O)c2oc3c(ccc4ccccc34)c2C)cc1 ZINC000017975959 560732901 /nfs/dbraw/zinc/73/29/01/560732901.db2.gz TZALQKFRQIEQAG-UHFFFAOYSA-N 0 0 402.450 4.614 50 0 HJAARN O=C(Nc1ccccc1-c1cn2ccsc2n1)C1(c2ccccc2)CCOCC1 ZINC000206893560 560749016 /nfs/dbraw/zinc/74/90/16/560749016.db2.gz XYBLXMRIMKTCOA-UHFFFAOYSA-N 0 0 403.507 4.750 50 0 HJAARN O=C(Cc1cccc2ccccc21)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000207014493 560756011 /nfs/dbraw/zinc/75/60/11/560756011.db2.gz YRYSPKRGYMPSCY-QGZVFWFLSA-N 0 0 417.534 4.975 50 0 HJAARN CCOc1c(Cl)cc(/C=C2/N=C(c3cccc(OC(F)F)c3)OC2=O)cc1OC ZINC000097987488 560758072 /nfs/dbraw/zinc/75/80/72/560758072.db2.gz BTVDNKJPODJGDB-OVCLIPMQSA-N 0 0 423.799 4.693 50 0 HJAARN CCn1c2ccccc2c2cc(NC(=O)Cn3cccc(C(F)(F)F)c3=O)ccc21 ZINC000024374556 560759466 /nfs/dbraw/zinc/75/94/66/560759466.db2.gz CYPPGNAMWMBOEC-UHFFFAOYSA-N 0 0 413.399 4.634 50 0 HJAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)Nc2cc(Cl)ccc2C)cc1 ZINC000011612762 560772698 /nfs/dbraw/zinc/77/26/98/560772698.db2.gz ZNQRGOUBIDHIQK-SFHVURJKSA-N 0 0 420.962 4.529 50 0 HJAARN O=C(CCCn1nc(-c2ccccc2)ccc1=O)Nc1ccccc1-c1ccccc1 ZINC000011693292 560773556 /nfs/dbraw/zinc/77/35/56/560773556.db2.gz POTGYTSZAOSZHE-UHFFFAOYSA-N 0 0 409.489 4.996 50 0 HJAARN CCN1c2cc(C(=O)Nc3ccc(Cl)cc3F)ccc2C(=O)N2CCCC[C@H]12 ZINC000583648907 560779117 /nfs/dbraw/zinc/77/91/17/560779117.db2.gz BVDNVDDZPCHBFL-LJQANCHMSA-N 0 0 401.869 4.524 50 0 HJAARN COc1ccc2c(c1)sc(=NC(=O)Cc1cccc3ccccc31)n2CCSC ZINC000101119419 560786910 /nfs/dbraw/zinc/78/69/10/560786910.db2.gz IJNUPOOKFFTREC-VHXPQNKSSA-N 0 0 422.575 4.898 50 0 HJAARN CC(=O)Nc1nc2n(n1)[C@H](c1c(F)cccc1Cl)CC(c1ccc(Cl)cc1)=N2 ZINC000101553163 560797135 /nfs/dbraw/zinc/79/71/35/560797135.db2.gz NEGAXLYGGWJKLT-INIZCTEOSA-N 0 0 418.259 4.738 50 0 HJAARN COC(=O)c1c(C)[nH]c(-c2ccccc2OC)c1[C@H]1C(=O)Nc2c1cccc2Cl ZINC000101626054 560797831 /nfs/dbraw/zinc/79/78/31/560797831.db2.gz LAOZCKPHOFCENS-KRWDZBQOSA-N 0 0 410.857 4.523 50 0 HJAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CCSc1ccc(F)cc1 ZINC000005704682 560802650 /nfs/dbraw/zinc/80/26/50/560802650.db2.gz BHUFZGZAJVJMMZ-UHFFFAOYSA-N 0 0 415.317 4.712 50 0 HJAARN Cc1ccc(C2=Nc3nc(NC(=O)C(C)C)nn3[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000101836089 560803462 /nfs/dbraw/zinc/80/34/62/560803462.db2.gz WPLSHLDZRNXQQF-IBGZPJMESA-N 0 0 407.905 4.890 50 0 HJAARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)[C@H]1C ZINC000102218611 560808960 /nfs/dbraw/zinc/80/89/60/560808960.db2.gz AJBJYIWZJYWDJP-JKIFEVAISA-N 0 0 416.345 4.637 50 0 HJAARN CCc1ccc(NC(=O)CN2c3ccccc3N=C(c3cccs3)CC2=O)cc1 ZINC000102300686 560809132 /nfs/dbraw/zinc/80/91/32/560809132.db2.gz JKGDRBLYVNMCLU-UHFFFAOYSA-N 0 0 403.507 4.807 50 0 HJAARN O=C1C[C@@H](c2ccco2)CC2=Nc3nc(C(F)(F)F)nn3[C@H](c3ccccc3)C12 ZINC000102315222 560809304 /nfs/dbraw/zinc/80/93/04/560809304.db2.gz ZRUUHKDLWPMVIM-YVEFUNNKSA-N 0 0 400.360 4.955 50 0 HJAARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccccc3C)C2)c(OC)c1 ZINC000102316499 560809319 /nfs/dbraw/zinc/80/93/19/560809319.db2.gz WJMJNNQUNMHWHS-CMJOXMDJSA-N 0 0 416.481 4.669 50 0 HJAARN CCOc1cc([C@@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3ncnn32)ccc1O ZINC000102666883 560819471 /nfs/dbraw/zinc/81/94/71/560819471.db2.gz XSEYJTCYBFNJAJ-UZUQRXQVSA-N 0 0 416.481 4.756 50 0 HJAARN CCOc1cc([C@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3ncnn32)ccc1O ZINC000102666893 560819499 /nfs/dbraw/zinc/81/94/99/560819499.db2.gz XSEYJTCYBFNJAJ-SBUREZEXSA-N 0 0 416.481 4.756 50 0 HJAARN COc1ccc(-c2csc(C3=C(N)N(Cc4cccs4)CC3=O)n2)cc1OC ZINC000102731808 560822482 /nfs/dbraw/zinc/82/24/82/560822482.db2.gz LYKKNLBFAVITQY-UHFFFAOYSA-N 0 0 413.524 4.651 50 0 HJAARN Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@H]3C2=O)c1 ZINC000102714656 560823124 /nfs/dbraw/zinc/82/31/24/560823124.db2.gz CZNJUCWEUUULRC-BHIFYINESA-N 0 0 418.880 4.700 50 0 HJAARN CCn1c(SCC(=O)Nc2c(F)cccc2F)nnc1-c1cc2ccccc2o1 ZINC000013956578 560830877 /nfs/dbraw/zinc/83/08/77/560830877.db2.gz CFRVKQILUFQPTE-UHFFFAOYSA-N 0 0 414.437 4.720 50 0 HJAARN CCc1ccc(-c2noc(-c3nn(-c4ccc(C)cc4)c(=O)c4ccccc43)n2)cc1 ZINC000064949628 560839849 /nfs/dbraw/zinc/83/98/49/560839849.db2.gz DWPMVCWZMIOCFC-UHFFFAOYSA-N 0 0 408.461 4.974 50 0 HJAARN Cc1ncsc1C(=O)OCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl ZINC000051241589 560843511 /nfs/dbraw/zinc/84/35/11/560843511.db2.gz ZKNPTMBHIMKPOI-UHFFFAOYSA-N 0 0 414.097 4.861 50 0 HJAARN C[C@@H]1CCC[C@H](NC(=O)Cn2c3c(c(-c4ccccc4Cl)cc2=O)CCC3)[C@H]1C ZINC000103893715 560844889 /nfs/dbraw/zinc/84/48/89/560844889.db2.gz SIMKEPSYRYNTBW-XFQAVAEZSA-N 0 0 412.961 4.598 50 0 HJAARN O=C(c1ccccc1I)N(Cc1ccco1)Cc1cccs1 ZINC000014999570 560851183 /nfs/dbraw/zinc/85/11/83/560851183.db2.gz XSZJJVIDXRMVCS-UHFFFAOYSA-N 0 0 423.275 4.788 50 0 HJAARN Cc1cccc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1 ZINC000005740354 560861809 /nfs/dbraw/zinc/86/18/09/560861809.db2.gz YNLPVIOYDLWFRS-LBPRGKRZSA-N 0 0 402.422 4.581 50 0 HJAARN Cc1cccc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1 ZINC000005740358 560861819 /nfs/dbraw/zinc/86/18/19/560861819.db2.gz YNLPVIOYDLWFRS-GFCCVEGCSA-N 0 0 402.422 4.581 50 0 HJAARN Cc1ccc(NC(=O)NCCn2c(-c3ccc(F)cc3)nc3cccnc32)cc1F ZINC000046913314 560878770 /nfs/dbraw/zinc/87/87/70/560878770.db2.gz RQHLCMFDNJKMDN-UHFFFAOYSA-N 0 0 407.424 4.507 50 0 HJAARN O=C(NCc1ccc(F)cc1)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1F)S2 ZINC000003588083 560890808 /nfs/dbraw/zinc/89/08/08/560890808.db2.gz AQLVXVWVQBSZPP-CIAFOILYSA-N 0 0 422.456 4.980 50 0 HJAARN Cc1nc2ccc(Cl)cn2c(=O)c1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000012180715 560891166 /nfs/dbraw/zinc/89/11/66/560891166.db2.gz SFXOXZHRSJZVBW-UHFFFAOYSA-N 0 0 417.896 4.817 50 0 HJAARN CCOc1cc(Nc2ccc(NC(=O)c3cc(Cl)ccc3OC)cc2)nc(C)n1 ZINC000012225478 560894084 /nfs/dbraw/zinc/89/40/84/560894084.db2.gz SJOWQGANUNDYAA-UHFFFAOYSA-N 0 0 412.877 4.842 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)NCc1ccc(C(=O)c2ccccc2)s1 ZINC000211086420 560894773 /nfs/dbraw/zinc/89/47/73/560894773.db2.gz FYRRCJUCRSPALG-UHFFFAOYSA-N 0 0 400.887 4.963 50 0 HJAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(OC)cc3)[C@H]2c2ccccc2)cc1 ZINC000045941464 568422127 /nfs/dbraw/zinc/42/21/27/568422127.db2.gz ODYSIRCZERTCPE-HSZRJFAPSA-N 0 0 401.462 4.757 50 0 HJAARN COc1ccc(C2C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000045941770 568422274 /nfs/dbraw/zinc/42/22/74/568422274.db2.gz ZAKOBHNPPVGMES-HSZRJFAPSA-N 0 0 403.453 4.930 50 0 HJAARN Cc1ccc(-c2noc(-c3ccccc3OCC(=O)N[C@@H](C)c3ccccc3)n2)cc1 ZINC000046012198 568423426 /nfs/dbraw/zinc/42/34/26/568423426.db2.gz YFKSJMPGXMVKFD-SFHVURJKSA-N 0 0 413.477 4.968 50 0 HJAARN Cc1ccc(N(Cc2nc3nc(C)c(Cl)c(C)n3n2)C(=O)c2cccs2)cc1 ZINC000046020713 568424114 /nfs/dbraw/zinc/42/41/14/568424114.db2.gz DMQFWHLGGHLREV-UHFFFAOYSA-N 0 0 411.918 4.611 50 0 HJAARN O=C(NCc1cccc(Cl)c1)[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000046043986 568424844 /nfs/dbraw/zinc/42/48/44/568424844.db2.gz RBKMVPALFZKSGS-MRXNPFEDSA-N 0 0 424.850 4.527 50 0 HJAARN O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000046044017 568424892 /nfs/dbraw/zinc/42/48/92/568424892.db2.gz CESWQZWTBNKUPM-INIZCTEOSA-N 0 0 424.850 4.527 50 0 HJAARN COc1ccccc1C(=O)c1cn(Cc2cc(C)ccc2C)c2nc(C)ccc2c1=O ZINC000046053782 568425471 /nfs/dbraw/zinc/42/54/71/568425471.db2.gz GFILXYILIUCJFT-UHFFFAOYSA-N 0 0 412.489 4.610 50 0 HJAARN Cc1ccc2c(=O)c(C(=O)c3ccc(F)cc3)cn(Cc3ccc(F)cc3Cl)c2n1 ZINC000046053828 568425604 /nfs/dbraw/zinc/42/56/04/568425604.db2.gz RAAWEJDLHYLTID-UHFFFAOYSA-N 0 0 424.834 4.916 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)c1cc2cc(N(C)S(C)(=O)=O)ccc2s1 ZINC000046058047 568426332 /nfs/dbraw/zinc/42/63/32/568426332.db2.gz VKQDNLGPZLRBRW-UHFFFAOYSA-N 0 0 408.932 4.511 50 0 HJAARN Cc1ccc(CN2CCCN(c3cccc(C(=O)N4CCCCCC4)c3)C2=O)cc1 ZINC000046079868 568428006 /nfs/dbraw/zinc/42/80/06/568428006.db2.gz KNFQSOAZVCEBDA-UHFFFAOYSA-N 0 0 405.542 4.844 50 0 HJAARN O=C(Nc1cccc(F)c1)c1cccc(N2CCCN(Cc3ccccc3)C2=O)c1 ZINC000046080044 568428014 /nfs/dbraw/zinc/42/80/14/568428014.db2.gz KEKYFUZUIFHBOC-UHFFFAOYSA-N 0 0 403.457 4.910 50 0 HJAARN Cc1c(C(=O)OCc2nnc(C(C)(C)C)o2)sc2nc(C(C)(C)C)nc(C)c12 ZINC000047706872 568430967 /nfs/dbraw/zinc/43/09/67/568430967.db2.gz TXQWMBKZTRBQTH-UHFFFAOYSA-N 0 0 402.520 4.643 50 0 HJAARN O=C(c1ccnc(Cl)c1)N(Cc1ccccn1)c1ccc(Br)cc1 ZINC000048276751 568435660 /nfs/dbraw/zinc/43/56/60/568435660.db2.gz WKRKUWZXISPNAO-UHFFFAOYSA-N 0 0 402.679 4.740 50 0 HJAARN Cc1ccc(OCCC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c(C)c1 ZINC000048299974 568437285 /nfs/dbraw/zinc/43/72/85/568437285.db2.gz MQCUAOYLEVMHRI-QFIPXVFZSA-N 0 0 403.526 4.511 50 0 HJAARN O=C1NCCCC[C@@H]1Nc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c21 ZINC000048302474 568437640 /nfs/dbraw/zinc/43/76/40/568437640.db2.gz NQGPRLVRSHUEMW-SFHVURJKSA-N 0 0 415.522 4.501 50 0 HJAARN CCOC(=O)c1sc2nc(C)nc(NCc3ccccc3N3CCCC3)c2c1C ZINC000048314732 568438101 /nfs/dbraw/zinc/43/81/01/568438101.db2.gz ZDNHSXCPRKKQQY-UHFFFAOYSA-N 0 0 410.543 4.697 50 0 HJAARN C[C@H](NC(=O)Nc1cccc(CN2CCCC2=O)c1)c1ccc(Cl)cc1Cl ZINC000048332126 568439983 /nfs/dbraw/zinc/43/99/83/568439983.db2.gz CWQUGBGSSPGYNX-ZDUSSCGKSA-N 0 0 406.313 4.999 50 0 HJAARN Cc1noc(C)c1CC(=O)Nc1ncc(Cc2ccc(Br)c(C)c2)s1 ZINC000048342971 568440602 /nfs/dbraw/zinc/44/06/02/568440602.db2.gz FMBLUIWCSRQFRC-UHFFFAOYSA-N 0 0 420.332 4.591 50 0 HJAARN Cn1c2ccccc2nc1[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccccc1 ZINC000048344063 568440816 /nfs/dbraw/zinc/44/08/16/568440816.db2.gz YHKOQBIXJRTHJT-RUZDIDTESA-N 0 0 408.505 4.893 50 0 HJAARN CC(=O)NCc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3Cl)n2)cc1 ZINC000048362410 568441655 /nfs/dbraw/zinc/44/16/55/568441655.db2.gz OMHGDYUSFIYDGS-UHFFFAOYSA-N 0 0 403.891 4.562 50 0 HJAARN Cc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)cc(-c2ccccn2)n1 ZINC000049007128 568444926 /nfs/dbraw/zinc/44/49/26/568444926.db2.gz QUTFMWZZSAOVQH-UHFFFAOYSA-N 0 0 405.310 4.885 50 0 HJAARN CC(C)(C)c1ccc2c(c1)N(Cc1nc(-c3ccc(Cl)c(F)c3)no1)C(=O)CO2 ZINC000049002862 568446154 /nfs/dbraw/zinc/44/61/54/568446154.db2.gz XPGVZHNEAAMCCJ-UHFFFAOYSA-N 0 0 415.852 4.752 50 0 HJAARN CCc1ccc(Nc2cc(C(=O)N3CCSCC3)nc3c(OC)cccc23)cc1 ZINC000049003048 568446275 /nfs/dbraw/zinc/44/62/75/568446275.db2.gz GYAQYFKMBKWNCR-UHFFFAOYSA-N 0 0 407.539 4.738 50 0 HJAARN COc1ccc(OC)c(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc32)c1 ZINC000049004696 568446734 /nfs/dbraw/zinc/44/67/34/568446734.db2.gz FJHPESNHSKWNEH-UHFFFAOYSA-N 0 0 420.513 4.715 50 0 HJAARN Cc1cccc(-c2noc(C3CCN(CC(=O)Nc4ccccc4Cl)CC3)n2)c1 ZINC000049403229 568448188 /nfs/dbraw/zinc/44/81/88/568448188.db2.gz HQFCOQDITGOHAE-UHFFFAOYSA-N 0 0 410.905 4.517 50 0 HJAARN Cn1c(=O)sc2c1N(c1ccc(Cl)cc1)C(=O)C[C@H]2c1ccc(F)c(F)c1F ZINC000049543914 568451282 /nfs/dbraw/zinc/45/12/82/568451282.db2.gz UQBXLADWHISNAB-LBPRGKRZSA-N 0 0 424.831 4.718 50 0 HJAARN O=C(Nc1ccccc1)Nc1ccc(S[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000113562075 568453028 /nfs/dbraw/zinc/45/30/28/568453028.db2.gz DMEBVQKMOVCUNZ-HXUWFJFHSA-N 0 0 417.490 4.755 50 0 HJAARN Cc1ccccc1N(C(=O)C1CCN(C(=O)C2CC2)CC1)c1nc2ccccc2s1 ZINC000049983743 568453619 /nfs/dbraw/zinc/45/36/19/568453619.db2.gz YHQIOHJFZYMIRI-UHFFFAOYSA-N 0 0 419.550 4.918 50 0 HJAARN Cc1cc(C(=O)CCC(=O)OCC(=O)c2ccc(Br)cc2)c(C)s1 ZINC000005768632 568455047 /nfs/dbraw/zinc/45/50/47/568455047.db2.gz DLPOQUCMBDCQSV-UHFFFAOYSA-N 0 0 409.301 4.516 50 0 HJAARN CC(C)c1ccc(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c(C(C)C)c1 ZINC000012262350 568456979 /nfs/dbraw/zinc/45/69/79/568456979.db2.gz DUFNUDZEHHDZGA-UHFFFAOYSA-N 0 0 400.544 4.726 50 0 HJAARN CC(=O)N[C@@H](CC(=O)N[C@H](c1cccs1)c1ccccc1)c1ccc(Cl)cc1 ZINC000012270504 568457221 /nfs/dbraw/zinc/45/72/21/568457221.db2.gz ZWNSVHKBCYVGDS-UGKGYDQZSA-N 0 0 412.942 4.875 50 0 HJAARN CC[C@H](C(=O)Nc1ccc(F)cc1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000006807796 568459941 /nfs/dbraw/zinc/45/99/41/568459941.db2.gz ALVCAWMELSRVTD-OAQYLSRUSA-N 0 0 418.472 4.533 50 0 HJAARN O=C1CS[C@@H](c2ccc(OC(F)F)cc2)N1c1ccc(Br)cc1 ZINC000002485269 568460040 /nfs/dbraw/zinc/46/00/40/568460040.db2.gz QQVXWWUIIXUOQU-HNNXBMFYSA-N 0 0 400.244 4.829 50 0 HJAARN Cc1ccc(-c2cc(C(=O)NCc3ccc4c(c3)OCO4)c3ccccc3n2)s1 ZINC000000669381 568460474 /nfs/dbraw/zinc/46/04/74/568460474.db2.gz UVIWAQHDQRKXFG-UHFFFAOYSA-N 0 0 402.475 4.930 50 0 HJAARN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c2cccc(C)c2)cc1 ZINC000006845710 568461191 /nfs/dbraw/zinc/46/11/91/568461191.db2.gz LGJRSPHEEYOSCI-UHFFFAOYSA-N 0 0 422.550 4.754 50 0 HJAARN CCOc1nc(-c2ccc(C)cc2)n(-c2ccc(NC(=O)c3cccs3)cc2)n1 ZINC000000693664 568462345 /nfs/dbraw/zinc/46/23/45/568462345.db2.gz FPUPXEIRKIDADG-UHFFFAOYSA-N 0 0 404.495 4.955 50 0 HJAARN Cc1ccc(C[S@@](=O)Cc2ccc(C(=O)NCc3cccc(Cl)c3)o2)cc1 ZINC000006895708 568463458 /nfs/dbraw/zinc/46/34/58/568463458.db2.gz LPLURVNNBILJMR-MHZLTWQESA-N 0 0 401.915 4.620 50 0 HJAARN O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cccc(Nc2ncccn2)c1 ZINC000024790882 568464039 /nfs/dbraw/zinc/46/40/39/568464039.db2.gz RHIWJONZBUHMOY-UHFFFAOYSA-N 0 0 402.454 4.904 50 0 HJAARN COc1cc(CCC(=O)Nc2c(C)cc(Br)cc2C)cc(OC)c1OC ZINC000006945962 568465242 /nfs/dbraw/zinc/46/52/42/568465242.db2.gz CIVPMIKSHGUJLM-UHFFFAOYSA-N 0 0 422.319 4.663 50 0 HJAARN COCc1cc(C)nc2sc([C@@H](O)c3ccccc3)c(NC(=O)c3ccco3)c21 ZINC000000719306 568466014 /nfs/dbraw/zinc/46/60/14/568466014.db2.gz JICJGYSOGQXTHB-IBGZPJMESA-N 0 0 408.479 4.678 50 0 HJAARN CC(=O)NC(=Cc1ccccc1)C(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 ZINC000021763241 568467993 /nfs/dbraw/zinc/46/79/93/568467993.db2.gz FOCMXSZWEMHDDO-XQNSMLJCSA-N 0 0 405.494 4.637 50 0 HJAARN COc1cc(NC(=O)c2sc(-c3ccc(F)cc3)nc2C)cc(OC)c1OC ZINC000012321980 568470867 /nfs/dbraw/zinc/47/08/67/568470867.db2.gz BQLYWFOABWVJBK-UHFFFAOYSA-N 0 0 402.447 4.536 50 0 HJAARN O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000012323081 568471240 /nfs/dbraw/zinc/47/12/40/568471240.db2.gz RTSMUUHXXIXUPS-LJQANCHMSA-N 0 0 423.476 4.557 50 0 HJAARN Cc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c(C)n1-c1nccs1 ZINC000007113027 568471762 /nfs/dbraw/zinc/47/17/62/568471762.db2.gz VLANDPQEGNTNIF-HXUWFJFHSA-N 0 0 404.495 4.910 50 0 HJAARN CC(C)c1nc2oc3c(ncn(Cc4ccccc4)c3=O)c2c2c1COC(C)(C)C2 ZINC000012325096 568471793 /nfs/dbraw/zinc/47/17/93/568471793.db2.gz DBKAROYUSIDPGT-UHFFFAOYSA-N 0 0 403.482 4.561 50 0 HJAARN COc1cccc(NC(=O)CSc2nc3scc(-c4ccccc4)c3c(N)n2)c1 ZINC000012324647 568471935 /nfs/dbraw/zinc/47/19/35/568471935.db2.gz YZESUSOHNPEQEP-UHFFFAOYSA-N 0 0 422.535 4.680 50 0 HJAARN C[C@H](Sc1nc(C(F)(F)F)nc2ccccc21)C(=O)N1CCc2ccccc2C1 ZINC000007160782 568473168 /nfs/dbraw/zinc/47/31/68/568473168.db2.gz IJWKTRGRHHPNOO-ZDUSSCGKSA-N 0 0 417.456 4.714 50 0 HJAARN O=C(/C=C/c1nc2ccccc2s1)OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000007432744 568480000 /nfs/dbraw/zinc/48/00/00/568480000.db2.gz ZQACYPOKCZETCS-CMDGGOBGSA-N 0 0 406.385 4.510 50 0 HJAARN C[C@@H](OC(=O)c1cc2c(s1)CC[C@@H](C)C2)C(=O)Nc1ncc(Cl)cc1Cl ZINC000005773210 568485766 /nfs/dbraw/zinc/48/57/66/568485766.db2.gz HJWGKDLZRFXPJD-NXEZZACHSA-N 0 0 413.326 4.759 50 0 HJAARN Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000012342260 568488665 /nfs/dbraw/zinc/48/86/65/568488665.db2.gz ISIKXBWRYCNZLC-UHFFFAOYSA-N 0 0 423.394 4.965 50 0 HJAARN Cn1ccnc1[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000008118059 568492172 /nfs/dbraw/zinc/49/21/72/568492172.db2.gz KVEDPIZIKKEBTH-SFHVURJKSA-N 0 0 408.716 4.829 50 0 HJAARN COc1ccc([C@@H](NC(=O)NCCn2cc(C(C)=O)c3ccccc32)C(C)C)cc1 ZINC000604419570 568493242 /nfs/dbraw/zinc/49/32/42/568493242.db2.gz LDIXGPJKZVWPDD-QHCPKHFHSA-N 0 0 407.514 4.549 50 0 HJAARN CN(C(=O)COc1ccccc1C(=O)Nc1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000008271613 568494452 /nfs/dbraw/zinc/49/44/52/568494452.db2.gz FOEVUXWZAQDJLT-HSZRJFAPSA-N 0 0 414.505 4.854 50 0 HJAARN O=C(CCSc1ccccc1F)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000008270878 568494473 /nfs/dbraw/zinc/49/44/73/568494473.db2.gz SPFAUVYVILJYEI-UHFFFAOYSA-N 0 0 410.518 4.932 50 0 HJAARN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1Cl ZINC000220964832 568509157 /nfs/dbraw/zinc/50/91/57/568509157.db2.gz FBVOBYUBOOTESU-UHFFFAOYSA-N 0 0 404.941 4.930 50 0 HJAARN Cc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)NCc4ccccc4)c3)C2)cc1 ZINC000033034656 568510524 /nfs/dbraw/zinc/51/05/24/568510524.db2.gz CSTSJOSHJIRNBP-VWLOTQADSA-N 0 0 412.533 4.945 50 0 HJAARN O=S(=O)(Nc1cccc(CCc2nc3ccccc3[nH]2)c1)c1ccc(Cl)cc1 ZINC000033116561 568511117 /nfs/dbraw/zinc/51/11/17/568511117.db2.gz OCKXQDVIYTYEOV-UHFFFAOYSA-N 0 0 411.914 4.802 50 0 HJAARN COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C)c(C)c3)[nH]c2C)CC1 ZINC000033139632 568511308 /nfs/dbraw/zinc/51/13/08/568511308.db2.gz OHHQZHUCMNIKOH-UHFFFAOYSA-N 0 0 403.526 4.578 50 0 HJAARN COc1ccc([C@H]2CCCCCN2C(=O)CCc2cnn(-c3ccccc3)c2)cc1 ZINC000024392322 568511333 /nfs/dbraw/zinc/51/13/33/568511333.db2.gz IYQJUWXDPWJJQY-XMMPIXPASA-N 0 0 403.526 4.957 50 0 HJAARN COc1ccccc1Oc1ccc(-c2ccc(C(=O)NCc3ccc(C)o3)cc2)nn1 ZINC000033130873 568511336 /nfs/dbraw/zinc/51/13/36/568511336.db2.gz BSKHSHFSDIQAOY-UHFFFAOYSA-N 0 0 415.449 4.776 50 0 HJAARN COc1cc(NC(=O)Nc2ccc3c(c2)CN(Cc2ccccc2)C3)cc(OC)c1 ZINC000033140105 568511423 /nfs/dbraw/zinc/51/14/23/568511423.db2.gz NSKVENQJILABJM-UHFFFAOYSA-N 0 0 403.482 4.864 50 0 HJAARN Cc1nc(-c2ccc(C)c(-n3cc(C(=O)Nc4ccc(C)c(F)c4)c(C)n3)c2)no1 ZINC000033275290 568512491 /nfs/dbraw/zinc/51/24/91/568512491.db2.gz JQJUQRXRIOWVOF-UHFFFAOYSA-N 0 0 405.433 4.547 50 0 HJAARN COc1ccccc1NC(=O)COc1ccccc1-c1noc(-c2cccc(C)c2)n1 ZINC000033325071 568513886 /nfs/dbraw/zinc/51/38/86/568513886.db2.gz KUONNVAKHTVQQC-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 ZINC000222401894 568515375 /nfs/dbraw/zinc/51/53/75/568515375.db2.gz COSYEDSFRVNBRT-JSSFPYSZSA-N 0 0 406.452 4.947 50 0 HJAARN COc1ccccc1CN1C(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2C1=O ZINC000020069283 568587247 /nfs/dbraw/zinc/58/72/47/568587247.db2.gz KCTLKHQQKLAOPB-UHFFFAOYSA-N 0 0 401.506 4.959 50 0 HJAARN CN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccc(Cl)cc2)[C@@H]1c1cccs1 ZINC000020104454 568587950 /nfs/dbraw/zinc/58/79/50/568587950.db2.gz OVFUEFORWPOVRM-RTWAWAEBSA-N 0 0 424.953 4.671 50 0 HJAARN CCCCCc1ccc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)cc1 ZINC000020112499 568588633 /nfs/dbraw/zinc/58/86/33/568588633.db2.gz FLWSMFFYVJDFES-HXUWFJFHSA-N 0 0 409.526 4.959 50 0 biogenic HJAARN O=C(c1c(F)cccc1Cl)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 ZINC000390826685 568591189 /nfs/dbraw/zinc/59/11/89/568591189.db2.gz OOKYZACVWZXOCQ-UHFFFAOYSA-N 0 0 412.896 4.823 50 0 HJAARN CC(C)(C)SC[C@H]1CCCCN1C(=O)[C@H]1CCCN1c1nc2ccccc2o1 ZINC000390829060 568591768 /nfs/dbraw/zinc/59/17/68/568591768.db2.gz CONGLJXIRUOSQB-SJLPKXTDSA-N 0 0 401.576 4.709 50 0 HJAARN COc1cc(/C=C/C(=O)N2CCCC[C@@H]2CSC(C)(C)C)cc(OC)c1OC ZINC000390831646 568592460 /nfs/dbraw/zinc/59/24/60/568592460.db2.gz TVJJZYKSRLODSD-SXSDINLZSA-N 0 0 407.576 4.638 50 0 HJAARN O=S(=O)(NCc1ccccc1)c1nc(-c2ccccc2)sc1-c1ccccc1 ZINC000094992797 568593411 /nfs/dbraw/zinc/59/34/11/568593411.db2.gz JWHDZOWYDGOPLC-UHFFFAOYSA-N 0 0 406.532 4.956 50 0 HJAARN O=C(OCc1cncc(Br)c1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000095350043 568600774 /nfs/dbraw/zinc/60/07/74/568600774.db2.gz WFCLTFQLIGDJDS-KBPBESRZSA-N 0 0 400.194 4.710 50 0 HJAARN O=C(O[C@H]1CCCCC1=O)c1ccc(COc2ccccc2Br)cc1 ZINC000095369362 568602185 /nfs/dbraw/zinc/60/21/85/568602185.db2.gz WBQSANHXHWZWKI-IBGZPJMESA-N 0 0 403.272 4.697 50 0 HJAARN Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2ccc(Br)cc2O)CC1 ZINC000095385756 568603790 /nfs/dbraw/zinc/60/37/90/568603790.db2.gz ORBZUIPCSQYZGX-UHFFFAOYSA-N 0 0 413.315 4.964 50 0 HJAARN C[C@@H](Oc1ccccc1)C(=O)n1nc(-c2ccco2)nc1NCc1ccc(Cl)cc1 ZINC000020444302 568608157 /nfs/dbraw/zinc/60/81/57/568608157.db2.gz OHSONFWJNGBTSX-OAHLLOKOSA-N 0 0 422.872 4.911 50 0 HJAARN C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2cnoc2-c2ccc(Cl)cc2)C1=O ZINC000095431099 568609154 /nfs/dbraw/zinc/60/91/54/568609154.db2.gz BEHVWBNVNMMZRE-FQEVSTJZSA-N 0 0 416.264 4.616 50 0 HJAARN C=C1C(Nc2cc(C)c(Cl)cc2OC)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020465711 568610132 /nfs/dbraw/zinc/61/01/32/568610132.db2.gz KTTQVCZIMOXVFT-UHFFFAOYSA-N 0 0 404.919 4.859 50 0 HJAARN Cc1sc(NC(=O)[C@H]2CCC(=O)C[C@H]2C)nc1-c1ccc(Br)cc1 ZINC000095447021 568612304 /nfs/dbraw/zinc/61/23/04/568612304.db2.gz AIFWEESVMZWMJB-BMIGLBTASA-N 0 0 407.333 4.825 50 0 HJAARN Cc1c(C(=O)NCc2ccco2)oc2c1-c1nn(Cc3ccc(Cl)cc3)cc1CC2 ZINC000020490067 568614478 /nfs/dbraw/zinc/61/44/78/568614478.db2.gz COOMPVSZWOUFKN-UHFFFAOYSA-N 0 0 421.884 4.775 50 0 HJAARN Cc1nn(C)c(C)c1CC(=O)N[C@@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F ZINC000095458911 568619278 /nfs/dbraw/zinc/61/92/78/568619278.db2.gz LXGKBWUIUDEEBH-FXAWDEMLSA-N 0 0 407.480 4.831 50 0 HJAARN COc1ccc(-n2cc(C(=O)N(C)c3cc(C)ccc3C)c3ccccc3c2=O)cc1 ZINC000020508829 568620209 /nfs/dbraw/zinc/62/02/09/568620209.db2.gz YJVMOEOKTHIIBN-UHFFFAOYSA-N 0 0 412.489 4.893 50 0 HJAARN C[C@H](OC(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1nc2ccccc2o1 ZINC000095461468 568620692 /nfs/dbraw/zinc/62/06/92/568620692.db2.gz ORICPYWCRBXMBU-INIZCTEOSA-N 0 0 421.474 4.720 50 0 HJAARN CCOc1ccc(-c2cc(NC(=O)c3noc4c3COc3ccc(C)cc3-4)on2)cc1 ZINC000020510058 568621119 /nfs/dbraw/zinc/62/11/19/568621119.db2.gz SFUXWIBKDQYFMB-UHFFFAOYSA-N 0 0 417.421 4.848 50 0 HJAARN COc1cc(CC(=O)Nc2ccc3ccc(Cl)c(Cl)c3n2)cc(OC)c1OC ZINC000095463213 568621755 /nfs/dbraw/zinc/62/17/55/568621755.db2.gz GTIBZFWEOTWBEH-UHFFFAOYSA-N 0 0 421.280 4.749 50 0 HJAARN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000095465105 568623061 /nfs/dbraw/zinc/62/30/61/568623061.db2.gz PXQFFAPLSDZAFK-HZPDHXFCSA-N 0 0 411.889 4.535 50 0 HJAARN Cc1ccccc1-c1noc(-c2nnn(-c3ccc(C(F)(F)F)c(Cl)c3)c2N)n1 ZINC000020530582 568626872 /nfs/dbraw/zinc/62/68/72/568626872.db2.gz PKKLHBSMCINMCG-UHFFFAOYSA-N 0 0 420.782 4.547 50 0 HJAARN COC(=O)C[C@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1oc(C)cc(=O)c1O ZINC000095476821 568630790 /nfs/dbraw/zinc/63/07/90/568630790.db2.gz PUQRAJHNHICGRC-OAHLLOKOSA-N 0 0 416.514 4.649 50 0 HJAARN O=C(CC1(n2cccc2)CCCCC1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000095477869 568631167 /nfs/dbraw/zinc/63/11/67/568631167.db2.gz LQHZVMOIJOQVTA-UHFFFAOYSA-N 0 0 400.950 4.701 50 0 HJAARN Cc1ccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000095482252 568634253 /nfs/dbraw/zinc/63/42/53/568634253.db2.gz RFVQESKJBMJANU-QGZVFWFLSA-N 0 0 407.514 4.768 50 0 HJAARN CN(Cc1nc(-c2cccs2)no1)C(=O)CCCSc1ccc(Cl)cc1 ZINC000095482466 568634431 /nfs/dbraw/zinc/63/44/31/568634431.db2.gz IDJAYMQNLKTBGD-UHFFFAOYSA-N 0 0 407.948 4.982 50 0 HJAARN CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2cccc(OC)c2)no1 ZINC000095482411 568634530 /nfs/dbraw/zinc/63/45/30/568634530.db2.gz DYKJJJQDSDFICC-QGZVFWFLSA-N 0 0 417.918 4.586 50 0 HJAARN COc1cccc(CNC(=O)c2cc3c(C)nn(Cc4ccc(F)cc4)c3s2)c1 ZINC000007961236 568634987 /nfs/dbraw/zinc/63/49/87/568634987.db2.gz CTAFTABKTCPPRU-UHFFFAOYSA-N 0 0 409.486 4.532 50 0 HJAARN O=C1OC(c2ccccc2Br)=N/C1=C\c1cc(Br)cs1 ZINC000020615685 568638142 /nfs/dbraw/zinc/63/81/42/568638142.db2.gz ZDLDKYZYASXAMR-SDQBBNPISA-N 0 0 413.090 4.618 50 0 HJAARN COc1c(Cl)cc(-c2noc(C)c2C(=O)NCCc2ccccc2)cc1Cl ZINC000020677201 568639694 /nfs/dbraw/zinc/63/96/94/568639694.db2.gz JMFRETIXTQFXCP-UHFFFAOYSA-N 0 0 405.281 4.938 50 0 HJAARN Cc1ccccc1Cc1c(C)nc2c(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)cnn2c1C ZINC000020678037 568639956 /nfs/dbraw/zinc/63/99/56/568639956.db2.gz VXSFXBRUEVXBSD-QDOIMOTRSA-N 0 0 404.558 4.800 50 0 HJAARN Cc1nc2c(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)cnn2c(C)c1Cc1ccccc1F ZINC000020678245 568639987 /nfs/dbraw/zinc/63/99/87/568639987.db2.gz IGKDBGFTKROYLZ-SMASLZHESA-N 0 0 408.521 4.631 50 0 HJAARN O=C(CN1C(=O)/C(=C\c2cccc(F)c2)Oc2ccccc21)NCCC1=CCCCC1 ZINC000020730587 568640892 /nfs/dbraw/zinc/64/08/92/568640892.db2.gz KWWJWOIWBZOLBJ-XQNSMLJCSA-N 0 0 420.484 4.599 50 0 HJAARN COc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)NCCc2ccc(C)cc2)cc1 ZINC000020761437 568642495 /nfs/dbraw/zinc/64/24/95/568642495.db2.gz CUKSTZAZCUXPRJ-UHFFFAOYSA-N 0 0 418.537 4.732 50 0 HJAARN Cc1ccc(-c2csc3ncc(C(=O)Nc4ccc(F)c(Cl)c4)c(=O)n32)cc1 ZINC000020768113 568643417 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ZINC000012578280 568863437 /nfs/dbraw/zinc/86/34/37/568863437.db2.gz DOMRHIQUYZYDOW-GXSJLCMTSA-N 0 0 404.442 4.847 50 0 HJAARN CC(C)CCN1c2ccccc2[C@](O)(CC(=O)c2cccc(C(F)(F)F)c2)C1=O ZINC000003231078 568865005 /nfs/dbraw/zinc/86/50/05/568865005.db2.gz UEKQNUBUNZLSMV-OAQYLSRUSA-N 0 0 405.416 4.559 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)COC(=O)C1c2ccccc2Oc2ccccc21 ZINC000003235732 568865599 /nfs/dbraw/zinc/86/55/99/568865599.db2.gz CAVJAHJXRWYANZ-UHFFFAOYSA-N 0 0 423.852 4.768 50 0 HJAARN CCOc1ccc([C@@H]2C[C@H](c3ccc(Cl)c(Cl)c3)Nc3nc(N)nn32)cc1 ZINC000003642468 568865712 /nfs/dbraw/zinc/86/57/12/568865712.db2.gz OWKMXQWWXXCDGZ-SJORKVTESA-N 0 0 404.301 4.712 50 0 HJAARN O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1Cl ZINC000003241284 568866316 /nfs/dbraw/zinc/86/63/16/568866316.db2.gz PKGXKKIKGYKKNU-UHFFFAOYSA-N 0 0 405.281 4.979 50 0 HJAARN COc1ccccc1NC(=O)C(=Cc1ccccc1F)C(=O)Nc1ccccc1OC ZINC000003245111 568866936 /nfs/dbraw/zinc/86/69/36/568866936.db2.gz AHJBCLBMFQQYDH-UHFFFAOYSA-N 0 0 420.440 4.504 50 0 HJAARN O=C(COC(=O)c1ccc(-c2nc3ccccc3s2)s1)NCc1cccs1 ZINC000003248161 568867434 /nfs/dbraw/zinc/86/74/34/568867434.db2.gz CSONTBUSAMTPSD-UHFFFAOYSA-N 0 0 414.533 4.560 50 0 HJAARN C[C@]1(C(=O)NC(=S)N(CCc2ccccc2)Cc2ccccc2)CC1(Cl)Cl ZINC000003281161 568871693 /nfs/dbraw/zinc/87/16/93/568871693.db2.gz GZDXSNVIWTUKRU-HXUWFJFHSA-N 0 0 421.393 4.716 50 0 HJAARN COc1cc(C(=O)N2CCCSc3ccccc32)ccc1OCc1cscn1 ZINC000057985817 568871728 /nfs/dbraw/zinc/87/17/28/568871728.db2.gz WFFZXUOIWIHWIH-UHFFFAOYSA-N 0 0 412.536 4.873 50 0 HJAARN Cc1cccc(COc2ccccc2C(=O)OCC(=O)Nc2cccc(C)c2C)c1 ZINC000012613781 568871866 /nfs/dbraw/zinc/87/18/66/568871866.db2.gz GQWYQKASMNLVMX-UHFFFAOYSA-N 0 0 403.478 4.986 50 0 HJAARN CN(C)[C@@H](Cc1cc(F)cc2c1O[C@H](c1ccccc1)OC2)C(=O)c1ccccc1 ZINC000003282634 568871997 /nfs/dbraw/zinc/87/19/97/568871997.db2.gz DVTRUXYSKRGOTE-WIOPSUGQSA-N 0 0 405.469 4.789 50 0 HJAARN O=C(NC[C@@H]1Cc2cccc(-c3ccncc3)c2O1)[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000299767596 568873942 /nfs/dbraw/zinc/87/39/42/568873942.db2.gz IDRRUJVKXKBAHY-WMZHIEFXSA-N 0 0 423.516 4.770 50 0 HJAARN O=C(CSc1nncn1-c1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000003292934 568874171 /nfs/dbraw/zinc/87/41/71/568874171.db2.gz ICFYVFFHLPQJBR-UHFFFAOYSA-N 0 0 413.717 4.958 50 0 HJAARN O=C(Nc1ccccc1F)N1CCC(c2nc(-c3ccc(F)c(F)c3)c[nH]2)CC1 ZINC000058007140 568874905 /nfs/dbraw/zinc/87/49/05/568874905.db2.gz MUYYDSKXFQPNAX-UHFFFAOYSA-N 0 0 400.404 4.906 50 0 HJAARN COc1ccccc1CCC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C(C)C ZINC000015318257 568876860 /nfs/dbraw/zinc/87/68/60/568876860.db2.gz BDHXHVADZANNDC-UHFFFAOYSA-N 0 0 413.905 4.768 50 0 HJAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OP(=O)(N5CC5)N5CC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000004025589 568877946 /nfs/dbraw/zinc/87/79/46/568877946.db2.gz XSVDHLSLBYJBSG-IYDLXWBISA-N 0 0 418.518 4.643 50 0 biogenic HJAARN CC(=O)N1CC2=C(C1=O)[C@@H](c1ccccc1)c1cn(CCC(C)C)c3cccc(c13)N2 ZINC000263585301 568878471 /nfs/dbraw/zinc/87/84/71/568878471.db2.gz HDCIOAFJSKFUBD-QHCPKHFHSA-N 0 0 413.521 4.888 50 0 biogenic HJAARN Cc1ccccc1-n1c(SCC(=O)c2ccccc2F)nnc1-c1ccncc1 ZINC000003322060 568880570 /nfs/dbraw/zinc/88/05/70/568880570.db2.gz GZRRRAOPYMYIKU-UHFFFAOYSA-N 0 0 404.470 4.752 50 0 HJAARN CCc1cccc(C)c1NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 ZINC000003323433 568880827 /nfs/dbraw/zinc/88/08/27/568880827.db2.gz CWTZEZDHTGYODK-UHFFFAOYSA-N 0 0 414.571 4.763 50 0 HJAARN CCCSc1nnc(Cn2c3ccccc3sc2=O)n1-c1cccc(Cl)c1 ZINC000004062283 568881551 /nfs/dbraw/zinc/88/15/51/568881551.db2.gz FAFSPPSWZFYTLL-UHFFFAOYSA-N 0 0 416.959 4.848 50 0 HJAARN O=C(COC(=O)CCC(=O)c1ccc(F)cc1)Nc1ccccc1-c1ccccc1 ZINC000003329423 568881616 /nfs/dbraw/zinc/88/16/16/568881616.db2.gz IIQYFZTXAOLNFU-UHFFFAOYSA-N 0 0 405.425 4.638 50 0 HJAARN COc1cc(C(=O)OCC(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000003328658 568881743 /nfs/dbraw/zinc/88/17/43/568881743.db2.gz BXVVZAMVMGTKPY-UHFFFAOYSA-N 0 0 410.853 4.967 50 0 HJAARN CCCC(=O)Oc1ccc(N(C(=O)CCC)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001234475 568882878 /nfs/dbraw/zinc/88/28/78/568882878.db2.gz GQTVFZGDNXXGAK-UHFFFAOYSA-N 0 0 423.918 4.568 50 0 HJAARN O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NC(=O)c1c(F)cccc1Cl ZINC000003337334 568882923 /nfs/dbraw/zinc/88/29/23/568882923.db2.gz DUBQVQKSEMXBKY-UHFFFAOYSA-N 0 0 412.804 4.712 50 0 HJAARN COc1ccc(Cl)cc1C(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000004079127 568882931 /nfs/dbraw/zinc/88/29/31/568882931.db2.gz SBAJJUVSZKJRQE-UHFFFAOYSA-N 0 0 403.935 4.920 50 0 HJAARN Cc1ccccc1-n1c(Sc2ncnc3sccc32)nc2ccccc2c1=O ZINC000003338891 568883294 /nfs/dbraw/zinc/88/32/94/568883294.db2.gz JORITANSPWRJEH-UHFFFAOYSA-N 0 0 402.504 4.850 50 0 HJAARN COc1ccc(CNC(=O)c2oc3ccccc3c2COc2ccccc2)cc1OC ZINC000003344802 568884367 /nfs/dbraw/zinc/88/43/67/568884367.db2.gz PWXXJFZGQCIXLP-UHFFFAOYSA-N 0 0 417.461 4.959 50 0 HJAARN CCOc1ccccc1NC(=S)Nc1ccc(I)cc1C ZINC000003347531 568884938 /nfs/dbraw/zinc/88/49/38/568884938.db2.gz PGHAWIFLKXATEA-UHFFFAOYSA-N 0 0 412.296 4.807 50 0 HJAARN CC(C)CC(=O)Nc1ccc(C(=O)COC(=O)Cc2c(Cl)cccc2Cl)cc1 ZINC000012641957 568885374 /nfs/dbraw/zinc/88/53/74/568885374.db2.gz BOEOZWHWEDQURR-UHFFFAOYSA-N 0 0 422.308 4.947 50 0 HJAARN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)n2)n1 ZINC000003351882 568885833 /nfs/dbraw/zinc/88/58/33/568885833.db2.gz NDIFCTKBXNARRZ-UHFFFAOYSA-N 0 0 410.783 4.688 50 0 aggregator HJAARN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc2c(c1)NC(=O)CS2 ZINC000003353863 568886139 /nfs/dbraw/zinc/88/61/39/568886139.db2.gz CACBPQJVPNJMMM-UHFFFAOYSA-N 0 0 401.900 4.760 50 0 HJAARN CCOc1ccccc1NC(=O)[C@H](Sc1nnc2ccccn21)c1ccccc1 ZINC000003355037 568886577 /nfs/dbraw/zinc/88/65/77/568886577.db2.gz PAOLWRPIESXPLA-HXUWFJFHSA-N 0 0 404.495 4.600 50 0 HJAARN C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1ccc2c(c1)OCO2 ZINC000003356333 568886695 /nfs/dbraw/zinc/88/66/95/568886695.db2.gz PHQRTARQPPSHTH-MRVPVSSYSA-N 0 0 404.797 4.602 50 0 HJAARN FC(F)(F)c1cccc(CSc2nnc(-c3cnccn3)n2Cc2ccco2)c1 ZINC000003355792 568886737 /nfs/dbraw/zinc/88/67/37/568886737.db2.gz ZLPYFNNIQVDCTJ-UHFFFAOYSA-N 0 0 417.416 4.688 50 0 HJAARN CC(C)c1ccccc1NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O ZINC000003363326 568888486 /nfs/dbraw/zinc/88/84/86/568888486.db2.gz OIUITBCWHOSLOO-UHFFFAOYSA-N 0 0 415.342 4.522 50 0 HJAARN CCC(=O)c1ccc(OCC(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1 ZINC000003362925 568888575 /nfs/dbraw/zinc/88/85/75/568888575.db2.gz GEVWYLTZFRMNJJ-UHFFFAOYSA-N 0 0 410.495 4.737 50 0 HJAARN O=C(CSCc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000003396530 568895417 /nfs/dbraw/zinc/89/54/17/568895417.db2.gz LTGFFUAVIAINGY-UHFFFAOYSA-N 0 0 414.914 4.735 50 0 HJAARN O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1cnn(Cc2ccccc2Cl)c1 ZINC000058168760 568895594 /nfs/dbraw/zinc/89/55/94/568895594.db2.gz RCSNSLPOLCTXJM-UHFFFAOYSA-N 0 0 412.280 4.676 50 0 HJAARN CCc1ccc(NC(=O)CSc2n[nH]c(-c3ccc(Br)cc3)n2)cc1 ZINC000003404415 568896961 /nfs/dbraw/zinc/89/69/61/568896961.db2.gz VISHRHCNQBJVRT-UHFFFAOYSA-N 0 0 417.332 4.527 50 0 HJAARN Cc1ccc(NC(=O)CNc2ccccc2C(=O)NCc2ccccc2)c(Cl)c1 ZINC000003408829 568897649 /nfs/dbraw/zinc/89/76/49/568897649.db2.gz VQJCVUYQBXODKB-UHFFFAOYSA-N 0 0 407.901 4.629 50 0 HJAARN CCOc1ccc2oc(C(=O)OCC(=O)N(Cc3ccccc3)C(C)C)c(C)c2c1 ZINC000003412637 568898567 /nfs/dbraw/zinc/89/85/67/568898567.db2.gz CJZZVWVEVIAZTA-UHFFFAOYSA-N 0 0 409.482 4.734 50 0 HJAARN C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)N1CCc2ccccc2C1 ZINC000003428595 568901023 /nfs/dbraw/zinc/90/10/23/568901023.db2.gz XFMBJSDKXCLFPI-NSHDSACASA-N 0 0 400.853 4.819 50 0 HJAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000003442576 568904082 /nfs/dbraw/zinc/90/40/82/568904082.db2.gz VDUPDSDNQUWFPC-MRXNPFEDSA-N 0 0 415.518 4.720 50 0 HJAARN CCNC(=O)c1cccc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)c1 ZINC000058289456 568908821 /nfs/dbraw/zinc/90/88/21/568908821.db2.gz CCOPXHORZPOUEL-GBXBDOIYSA-N 0 0 402.538 4.913 50 0 HJAARN COC(=O)CSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 ZINC000001261623 568909286 /nfs/dbraw/zinc/90/92/86/568909286.db2.gz BTQXPQPCFGMCBR-UHFFFAOYSA-N 0 0 401.557 4.582 50 0 HJAARN COc1ccc(C2=NN(C(C)=O)[C@@H](c3cc4ccc(OC)cc4nc3Cl)C2)cc1 ZINC000001261172 568909337 /nfs/dbraw/zinc/90/93/37/568909337.db2.gz PRVQKOJAGINRSS-OAQYLSRUSA-N 0 0 409.873 4.603 50 0 HJAARN Cc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 ZINC000001268057 568909490 /nfs/dbraw/zinc/90/94/90/568909490.db2.gz OEKIPPIZUPNRAW-UHFFFAOYSA-N 0 0 407.461 4.741 50 0 HJAARN O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)c1cccs1 ZINC000003501023 568910574 /nfs/dbraw/zinc/91/05/74/568910574.db2.gz MWBVNRRAAYVRGZ-UHFFFAOYSA-N 0 0 421.503 4.700 50 0 HJAARN COc1ccc([C@@H]2Cn3cnc(C(=O)N[C@@H](C)c4ccc(C(C)C)cc4)c3CO2)cc1 ZINC000263615620 568910632 /nfs/dbraw/zinc/91/06/32/568910632.db2.gz DHQNIQWLHMNHHK-SBUREZEXSA-N 0 0 419.525 4.778 50 0 HJAARN CCOc1cccc(-c2noc(-c3cc4n(n3)C[C@@H](c3ccc(C)cc3)OC4)n2)c1 ZINC000263619294 568912371 /nfs/dbraw/zinc/91/23/71/568912371.db2.gz XZDIYLJQESFVHF-NRFANRHFSA-N 0 0 402.454 4.579 50 0 HJAARN O=C(CN1C(=O)CSc2ccccc21)Oc1cc(Cl)c(Cl)cc1Cl ZINC000025722481 568912477 /nfs/dbraw/zinc/91/24/77/568912477.db2.gz QUUGCGSVUBSSSU-UHFFFAOYSA-N 0 0 402.686 4.691 50 0 HJAARN CCCc1nc2sc3c(ncnc3S[C@@H](C)C(=O)OC)c2c2c1CCCC2 ZINC000001303223 568913342 /nfs/dbraw/zinc/91/33/42/568913342.db2.gz WPSMKLZVYDCKEJ-NSHDSACASA-N 0 0 401.557 4.724 50 0 HJAARN CCOc1cc(C(=O)NC(=S)Nc2ccccc2Cl)cc(OCC)c1OCC ZINC000000724550 568914234 /nfs/dbraw/zinc/91/42/34/568914234.db2.gz DPMBCUWROOJSGT-UHFFFAOYSA-N 0 0 422.934 4.663 50 0 HJAARN CC(C)c1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000001320571 568914361 /nfs/dbraw/zinc/91/43/61/568914361.db2.gz NXYBXJPVTUKPIP-AREMUKBSSA-N 0 0 417.480 4.957 50 0 HJAARN CN(Cc1ccc(O)cc1)C(=O)c1cccnc1Oc1cccc(Br)c1 ZINC000052963824 568914951 /nfs/dbraw/zinc/91/49/51/568914951.db2.gz DDDKQPZKNYUICZ-UHFFFAOYSA-N 0 0 413.271 4.614 50 0 HJAARN O=C(CCS(=O)(=O)c1ccccc1)N(c1nc2ccccc2s1)c1ccccc1 ZINC000012691827 568915530 /nfs/dbraw/zinc/91/55/30/568915530.db2.gz SCPJTINQCZNDOE-UHFFFAOYSA-N 0 0 422.531 4.825 50 0 HJAARN Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)N4C[C@@H](C)O[C@@H](C)C4)cc3)sc2c1 ZINC000012692033 568915569 /nfs/dbraw/zinc/91/55/69/568915569.db2.gz LPMKVJILDYTVAH-BBWFWOEESA-N 0 0 409.555 4.708 50 0 HJAARN CC(C)N(CC(=O)N(Cc1cccs1)Cc1ccc(F)cc1)C(=O)c1ccccc1 ZINC000004421837 568917263 /nfs/dbraw/zinc/91/72/63/568917263.db2.gz NKPGFPKKGCWQOC-UHFFFAOYSA-N 0 0 424.541 4.967 50 0 HJAARN CCCCOc1ccc(C(=O)NCCc2csc(-c3ccc(OC)cc3)n2)cc1 ZINC000004167101 568919548 /nfs/dbraw/zinc/91/95/48/568919548.db2.gz BCNYRQJCBULHRY-UHFFFAOYSA-N 0 0 410.539 4.970 50 0 HJAARN Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)s1 ZINC000012729752 568921368 /nfs/dbraw/zinc/92/13/68/568921368.db2.gz UHKNOIZNQHUQGY-SFHVURJKSA-N 0 0 409.479 4.726 50 0 HJAARN CCOC(=O)C[C@@H](C(=O)Nc1nc2ccc(OC)cc2s1)[C@H](C)c1ccccc1 ZINC000003646767 568922213 /nfs/dbraw/zinc/92/22/13/568922213.db2.gz FUGBXGXESOXNLJ-RHSMWYFYSA-N 0 0 412.511 4.617 50 0 HJAARN CCOC(=O)c1nnc(-c2cccc(C(F)(F)F)c2)nc1Sc1ccccc1 ZINC000001392054 568924675 /nfs/dbraw/zinc/92/46/75/568924675.db2.gz RILCRUVEQJZIKK-UHFFFAOYSA-N 0 0 405.401 4.885 50 0 HJAARN CCOC(=O)c1nnc(-c2ccccc2)nc1Sc1cccc(C(F)(F)F)c1 ZINC000001392071 568924701 /nfs/dbraw/zinc/92/47/01/568924701.db2.gz CRHVUDYZCKDXIA-UHFFFAOYSA-N 0 0 405.401 4.885 50 0 HJAARN COc1cc(C)c(NC(=O)c2c(C)nc(-c3cccs3)nc2SC)cc1OC ZINC000012735734 568924898 /nfs/dbraw/zinc/92/48/98/568924898.db2.gz NWCYOPOEQFPQNR-UHFFFAOYSA-N 0 0 415.540 4.813 50 0 HJAARN CCCCc1noc(CSc2nc3ccc(Cl)cc3c(=O)n2CC(C)C)n1 ZINC000012737241 568925262 /nfs/dbraw/zinc/92/52/62/568925262.db2.gz BBTAOAGDCOIMAK-UHFFFAOYSA-N 0 0 406.939 4.724 50 0 HJAARN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)OCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000031479245 568926708 /nfs/dbraw/zinc/92/67/08/568926708.db2.gz IUZYHOXKVMYNNR-PHIMTYICSA-N 0 0 414.449 4.570 50 0 HJAARN O=C(Cn1c2ccccc2nc1SC(F)F)N[C@H]1CCSc2ccc(F)cc21 ZINC000031499257 568927084 /nfs/dbraw/zinc/92/70/84/568927084.db2.gz WWRSDOGTPVQYHE-ZDUSSCGKSA-N 0 0 423.485 4.843 50 0 HJAARN COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)Nc1cccc2[nH]ccc21 ZINC000083984447 568930350 /nfs/dbraw/zinc/93/03/50/568930350.db2.gz ASFYDGBPNZFEOI-UHFFFAOYSA-N 0 0 400.360 4.633 50 0 HJAARN COc1ccc(CCNC(=O)[C@H](C)SCc2nc(-c3cccs3)oc2C)cc1 ZINC000084056820 568933564 /nfs/dbraw/zinc/93/35/64/568933564.db2.gz SLFQMTJNNQWHCW-HNNXBMFYSA-N 0 0 416.568 4.701 50 0 HJAARN CC(=O)O[C@@H]1C=C2CC[C@H]3[C@@H]4CC[C@](OC(C)=O)(C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000004025105 568933971 /nfs/dbraw/zinc/93/39/71/568933971.db2.gz JNZLFQBVNULBKB-ZXSZFVAWSA-N 0 0 416.558 4.772 50 0 biogenic HJAARN CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCCCOC ZINC000004028159 568934015 /nfs/dbraw/zinc/93/40/15/568934015.db2.gz SVIXFVXVFZFGKC-CPLSZTBBSA-N 0 0 409.611 4.572 50 0 biogenic HJAARN COC(=O)c1c(C)c(C)sc1NC(=O)c1sc2nc(C3CC3)nc(C)c2c1C ZINC000084061999 568934754 /nfs/dbraw/zinc/93/47/54/568934754.db2.gz IRTKZFGQUOZOQE-UHFFFAOYSA-N 0 0 415.540 4.903 50 0 HJAARN COc1ccc(OCc2nnc3n2N=C(c2ccc(Cl)c(Cl)c2)CS3)cc1 ZINC000001417186 568934843 /nfs/dbraw/zinc/93/48/43/568934843.db2.gz QMVUCOMLIHREAZ-UHFFFAOYSA-N 0 0 421.309 4.531 50 0 HJAARN CCOc1ccc(C(=O)Nc2cc(-c3cn4cccnc4n3)ccc2C)cc1OCC ZINC000004033080 568934886 /nfs/dbraw/zinc/93/48/86/568934886.db2.gz FYPGJLKUCBAASB-UHFFFAOYSA-N 0 0 416.481 4.754 50 0 HJAARN O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2F)CN1c1ccccc1F ZINC000004033442 568934951 /nfs/dbraw/zinc/93/49/51/568934951.db2.gz CHLJOSGKIMTQIJ-KRWDZBQOSA-N 0 0 403.432 4.883 50 0 HJAARN Brc1ccc(-c2c[nH]c(SCc3noc(-c4ccco4)n3)n2)cc1 ZINC000012748673 568935039 /nfs/dbraw/zinc/93/50/39/568935039.db2.gz VOUMQJDUEVFHED-UHFFFAOYSA-N 0 0 403.261 4.775 50 0 HJAARN Cc1cc(Oc2coc3cc(OC(=O)[C@@H]4CCCO4)ccc3c2=O)cc(C)c1Cl ZINC000004043304 568935995 /nfs/dbraw/zinc/93/59/95/568935995.db2.gz SEMNAPUJKOIMDM-KRWDZBQOSA-N 0 0 414.841 4.940 50 0 HJAARN O=C(CSc1nnc(NC(=O)c2c(F)cccc2Cl)s1)c1ccccc1 ZINC000004079389 568938860 /nfs/dbraw/zinc/93/88/60/568938860.db2.gz DYPBSILUEPJKQA-UHFFFAOYSA-N 0 0 407.879 4.558 50 0 HJAARN CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CCN(C(C)C)C2 ZINC000004086892 568940579 /nfs/dbraw/zinc/94/05/79/568940579.db2.gz QLTSTYOFYNQIFD-UHFFFAOYSA-N 0 0 406.935 4.597 50 0 HJAARN CCCCn1c(CNC(=O)C23CC4CC(CC(C4)C2)C3)nnc1S[C@@H](C)CC ZINC000004087524 568941038 /nfs/dbraw/zinc/94/10/38/568941038.db2.gz OZTVRIRHBDDNAD-BZSISCHUSA-N 0 0 404.624 4.801 50 0 HJAARN CCCCOc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)CCC)c2)c1 ZINC000004089798 568941859 /nfs/dbraw/zinc/94/18/59/568941859.db2.gz VIIOVSVDKHSSSO-UHFFFAOYSA-N 0 0 413.543 4.731 50 0 HJAARN Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCc1ccco1)occ3-c1ccccc1 ZINC000004089837 568941889 /nfs/dbraw/zinc/94/18/89/568941889.db2.gz JOIRMCZSXUSXQN-UHFFFAOYSA-N 0 0 413.429 4.967 50 0 biogenic HJAARN CCN(CC)C(=O)c1cccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c32)c1 ZINC000012754012 568942169 /nfs/dbraw/zinc/94/21/69/568942169.db2.gz GWENGBXRNMTZPQ-UHFFFAOYSA-N 0 0 418.453 4.526 50 0 HJAARN C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccc(Br)cc3F)n2)C1 ZINC000012754531 568942468 /nfs/dbraw/zinc/94/24/68/568942468.db2.gz ADICKRWDNPUXCX-LLVKDONJSA-N 0 0 412.328 4.529 50 0 HJAARN C[C@H]1CCCN(Cc2csc(NC(=O)c3ccc(Br)cc3F)n2)C1 ZINC000012754536 568942531 /nfs/dbraw/zinc/94/25/31/568942531.db2.gz ADICKRWDNPUXCX-NSHDSACASA-N 0 0 412.328 4.529 50 0 HJAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccc(F)cc1)OCc1ccccc1 ZINC000004145574 568946442 /nfs/dbraw/zinc/94/64/42/568946442.db2.gz HJINZSGKOZPUNB-UHFFFAOYSA-N 0 0 409.442 4.502 50 0 HJAARN C[C@H](NC(=O)NCc1cccc(NC(=O)C2CC2)c1)c1ccc(Cl)c(Cl)c1 ZINC000012763138 568946710 /nfs/dbraw/zinc/94/67/10/568946710.db2.gz ORCOHFZKWKYQDI-LBPRGKRZSA-N 0 0 406.313 4.902 50 0 HJAARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Br)cc2)CSC3)cc1 ZINC000004175970 568948642 /nfs/dbraw/zinc/94/86/42/568948642.db2.gz VHLMCZRVIOSOQD-UHFFFAOYSA-N 0 0 414.328 4.942 50 0 HJAARN O=C(c1cc(Br)c[nH]1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000084459315 568949425 /nfs/dbraw/zinc/94/94/25/568949425.db2.gz VALGFUORWHLDKF-UHFFFAOYSA-N 0 0 408.683 4.592 50 0 HJAARN O=C(CN1CCC(C(=O)c2ccccc2)CC1)N(Cc1ccccc1)c1ccccc1 ZINC000012767783 568949457 /nfs/dbraw/zinc/94/94/57/568949457.db2.gz ZEUNJMRFMSBUKR-UHFFFAOYSA-N 0 0 412.533 4.815 50 0 HJAARN CC(=O)N(c1nc(/C=C/C(=O)N2c3ccccc3C[C@@H]2C)cs1)c1ccccc1 ZINC000012770038 568950516 /nfs/dbraw/zinc/95/05/16/568950516.db2.gz JELQLWPNWCZALM-DBTPVHCXSA-N 0 0 403.507 4.819 50 0 HJAARN CCCCn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2cc(CC)ccc21 ZINC000004193421 568950615 /nfs/dbraw/zinc/95/06/15/568950615.db2.gz MCUSTIVALRQDOA-UHFFFAOYSA-N 0 0 403.931 4.850 50 0 HJAARN O=C([C@H]1CC(c2ccc(Cl)cc2Cl)=NO1)N(C[C@H]1CCOC1)c1ccccc1 ZINC000084549118 568950877 /nfs/dbraw/zinc/95/08/77/568950877.db2.gz VANLLKCRTJYHPA-JLTOFOAXSA-N 0 0 419.308 4.556 50 0 HJAARN CCCCCOc1cccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1 ZINC000004194637 568951095 /nfs/dbraw/zinc/95/10/95/568951095.db2.gz GJEFCEQPNLJJGY-UHFFFAOYSA-N 0 0 418.540 4.521 50 0 HJAARN O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000015579987 568951199 /nfs/dbraw/zinc/95/11/99/568951199.db2.gz UMMFUCNGZYFROY-UHFFFAOYSA-N 0 0 410.477 4.538 50 0 HJAARN CC(C)c1cc(C(=O)Nc2ccc(I)cc2)nn1C(C)(C)C ZINC000084622465 568953614 /nfs/dbraw/zinc/95/36/14/568953614.db2.gz BHHBPYDBPAUDEY-UHFFFAOYSA-N 0 0 411.287 4.618 50 0 HJAARN O=C(CSc1nccn1Cc1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1 ZINC000004248745 568953755 /nfs/dbraw/zinc/95/37/55/568953755.db2.gz ADJMAKZOITWNQM-UHFFFAOYSA-N 0 0 409.408 4.820 50 0 HJAARN O=C(COc1ccc2ccccc2c1)Nc1cccc(-c2cn3c(n2)SCC3)c1 ZINC000004249032 568953975 /nfs/dbraw/zinc/95/39/75/568953975.db2.gz AWDPDFFHJMKNAV-UHFFFAOYSA-N 0 0 401.491 4.827 50 0 HJAARN CC1(C)Cc2nc(NC(=O)c3cc(-c4cccc(Cl)c4)on3)sc2C(=O)C1 ZINC000084673766 568955367 /nfs/dbraw/zinc/95/53/67/568955367.db2.gz JZIPWNFTUFNGNX-UHFFFAOYSA-N 0 0 401.875 4.859 50 0 HJAARN CCCCOc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccccc2Cl)cc1 ZINC000004262914 568955661 /nfs/dbraw/zinc/95/56/61/568955661.db2.gz GRYMCBPYSMJGJB-IBGZPJMESA-N 0 0 411.976 4.955 50 0 HJAARN CCCCc1noc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2ccccc2)n1 ZINC000012777624 568955816 /nfs/dbraw/zinc/95/58/16/568955816.db2.gz SIWDDQAJHZYLNJ-XMMPIXPASA-N 0 0 407.514 4.577 50 0 HJAARN CC(C)(C)OC(=O)NCc1ccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)cc1 ZINC000012783504 568959132 /nfs/dbraw/zinc/95/91/32/568959132.db2.gz TZQPANLBMTUIHJ-GOSISDBHSA-N 0 0 416.518 4.817 50 0 HJAARN CC(=O)c1ccc(SCC(=O)Nc2ccc(Br)cc2F)c(F)c1 ZINC000012785227 568959691 /nfs/dbraw/zinc/95/96/91/568959691.db2.gz FVCGGOZGAUPMRV-UHFFFAOYSA-N 0 0 400.244 4.661 50 0 HJAARN O=C(CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)N1CCCC1 ZINC000004292767 568959834 /nfs/dbraw/zinc/95/98/34/568959834.db2.gz QDEIKPLXEXUVMZ-UHFFFAOYSA-N 0 0 419.472 4.818 50 0 HJAARN O=C(CSc1nc2ccccc2o1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012785822 568959939 /nfs/dbraw/zinc/95/99/39/568959939.db2.gz ZBGHGKPKVKXTTH-CQSZACIVSA-N 0 0 409.536 4.936 50 0 HJAARN CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc4[nH]c(C)c(C)c4c3)o2)cc1 ZINC000015670842 568961631 /nfs/dbraw/zinc/96/16/31/568961631.db2.gz UOXPDWGVNQDAQU-UHFFFAOYSA-N 0 0 420.494 4.768 50 0 HJAARN COc1ccc(-n2nnc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)cc1 ZINC000004316309 568962081 /nfs/dbraw/zinc/96/20/81/568962081.db2.gz PKEVQYJPYQAXQO-UHFFFAOYSA-N 0 0 400.438 4.629 50 0 HJAARN CC[C@@H](NC(=O)/C=C/c1c(C)nn2c1nccc2C(F)(F)F)c1ccc(C)cc1 ZINC000012789974 568962576 /nfs/dbraw/zinc/96/25/76/568962576.db2.gz IDWAPGWXMKZZBN-OAGJVSPASA-N 0 0 402.420 4.646 50 0 HJAARN CC[C@@H](C)N1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015672878 568962578 /nfs/dbraw/zinc/96/25/78/568962578.db2.gz MSKZEFINBLPADO-WAIKUNEKSA-N 0 0 415.603 4.945 50 0 HJAARN Cc1ccccc1-n1c(SCCOC(=O)c2ccccc2)nc2ccccc2c1=O ZINC000007978375 568963228 /nfs/dbraw/zinc/96/32/28/568963228.db2.gz YRNSMDGADCUWBQ-UHFFFAOYSA-N 0 0 416.502 4.643 50 0 HJAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000007980330 568963489 /nfs/dbraw/zinc/96/34/89/568963489.db2.gz FOZYOYLLXAZFLD-UHFFFAOYSA-N 0 0 417.387 4.735 50 0 HJAARN CSc1ccc(CN(C)C(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000007986489 568964726 /nfs/dbraw/zinc/96/47/26/568964726.db2.gz HHARQDIGGKQPPQ-UHFFFAOYSA-N 0 0 420.534 4.589 50 0 HJAARN O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccccc1-c1nc2ccccc2s1 ZINC000007987864 568965397 /nfs/dbraw/zinc/96/53/97/568965397.db2.gz LKXSZOLUDPTLDA-UHFFFAOYSA-N 0 0 402.401 4.817 50 0 HJAARN CCOc1ccc(-c2nc(NC(=O)COc3cccc(C(C)=O)c3)sc2C)cc1 ZINC000007988211 568965556 /nfs/dbraw/zinc/96/55/56/568965556.db2.gz NKAZKMAGLYZYHB-UHFFFAOYSA-N 0 0 410.495 4.737 50 0 HJAARN CC1=C(C(=O)Nc2cc(Cl)ccc2C(=O)N[C@@H](C)c2ccccc2)SCCO1 ZINC000015678151 568965721 /nfs/dbraw/zinc/96/57/21/568965721.db2.gz UZZBGQCVZJRDFM-ZDUSSCGKSA-N 0 0 416.930 4.764 50 0 HJAARN COc1ccc(C)cc1NC(=O)Cn1c2ccccc2nc1NCc1ccccc1 ZINC000007989864 568966671 /nfs/dbraw/zinc/96/66/71/568966671.db2.gz CHANLBMTYBYZMB-UHFFFAOYSA-N 0 0 400.482 4.604 50 0 HJAARN COc1cccc(NC(=O)[C@@H](Sc2nnc(NC3CC3)s2)c2ccccc2)c1 ZINC000007990894 568967121 /nfs/dbraw/zinc/96/71/21/568967121.db2.gz BTJXPYMXTRMXAY-KRWDZBQOSA-N 0 0 412.540 4.593 50 0 HJAARN CCOc1ccc(-c2cc(-c3nc(-c4ccc(Br)cc4)no3)n[nH]2)cc1 ZINC000007998480 568967667 /nfs/dbraw/zinc/96/76/67/568967667.db2.gz VWLBXTKMJMPSCE-UHFFFAOYSA-N 0 0 411.259 4.955 50 0 HJAARN COc1ccc(NC(=O)c2c(C)nn(-c3ccc(C)cc3)c2-n2cccc2)c(OC)c1 ZINC000015681385 568967982 /nfs/dbraw/zinc/96/79/82/568967982.db2.gz NEFZXXISQOOQCL-UHFFFAOYSA-N 0 0 416.481 4.549 50 0 HJAARN CC(=O)N[C@@H](CC(=O)Nc1c(-c2cccs2)nc2cc(C)ccn21)c1ccccc1 ZINC000008013125 568968440 /nfs/dbraw/zinc/96/84/40/568968440.db2.gz IUQKSGWCLDGQBC-SFHVURJKSA-N 0 0 418.522 4.577 50 0 HJAARN Cc1[nH]nc2c1[C@@H](c1ccccc1Cl)N(c1ccc(Br)cc1)C2=O ZINC000008024897 568969076 /nfs/dbraw/zinc/96/90/76/568969076.db2.gz QNCGVQYTUPXGLL-QGZVFWFLSA-N 0 0 402.679 4.884 50 0 HJAARN Cc1oc(-c2ccccc2F)nc1CN1CCC(C(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000005043946 568969293 /nfs/dbraw/zinc/96/92/93/568969293.db2.gz MFMHHJWWDUFITB-KKSFZXQISA-N 0 0 413.537 4.696 50 0 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Cc1nc(C)c(-c2nn(CN(C)CCOc3ccc(Cl)cc3)c(=S)o2)s1 ZINC000012897566 569020339 /nfs/dbraw/zinc/02/03/39/569020339.db2.gz BSRGARPPZRPVQG-UHFFFAOYSA-N 0 0 410.952 4.568 50 0 HJAARN O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1cccc(-c2nc3ccccc3s2)c1 ZINC000012905040 569020863 /nfs/dbraw/zinc/02/08/63/569020863.db2.gz MFXXMEJYKFLILG-IBGZPJMESA-N 0 0 415.474 4.692 50 0 HJAARN CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000012905214 569020896 /nfs/dbraw/zinc/02/08/96/569020896.db2.gz XHRJUDNWRDHXNA-RUZDIDTESA-N 0 0 416.521 4.588 50 0 HJAARN COCc1c2ccccc2oc1C(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F ZINC000012903304 569020957 /nfs/dbraw/zinc/02/09/57/569020957.db2.gz USNWVSQPEYHRQL-UHFFFAOYSA-N 0 0 406.360 4.809 50 0 HJAARN CC[C@H](CNC(=O)[C@@H](C)Sc1nnc(-c2ccc(C)cc2)n1C)c1ccccc1 ZINC000012908018 569021237 /nfs/dbraw/zinc/02/12/37/569021237.db2.gz UDXVNEPBGYLFEI-QZTJIDSGSA-N 0 0 408.571 4.581 50 0 HJAARN Cc1ccccc1NC(=O)[C@H](C)Sc1ccccc1C(=O)OCC(=O)C(C)(C)C ZINC000012906425 569021293 /nfs/dbraw/zinc/02/12/93/569021293.db2.gz CVMPUKHHJQLVDA-INIZCTEOSA-N 0 0 413.539 4.886 50 0 HJAARN CCc1ccc([C@@H](N[C@@H](C(=O)N2CCOCC2)c2ccccc2)c2cccs2)cc1 ZINC000012909371 569021738 /nfs/dbraw/zinc/02/17/38/569021738.db2.gz WKFQPRPZMMNQED-DNQXCXABSA-N 0 0 420.578 4.590 50 0 HJAARN CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000012914932 569022181 /nfs/dbraw/zinc/02/21/81/569022181.db2.gz FTUJSOQFSHVHCT-RDTXWAMCSA-N 0 0 406.429 4.568 50 0 HJAARN Cc1ccc(C(=O)c2ccccc2C(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1 ZINC000012917607 569022842 /nfs/dbraw/zinc/02/28/42/569022842.db2.gz RUSFYHANYWOWST-UHFFFAOYSA-N 0 0 414.505 4.554 50 0 HJAARN CC(=O)c1sc(NC(=O)c2cnc3c(cnn3C(C)C)c2)nc1-c1ccccc1 ZINC000012930188 569024144 /nfs/dbraw/zinc/02/41/44/569024144.db2.gz KJDWUIACCGWVMC-UHFFFAOYSA-N 0 0 405.483 4.591 50 0 HJAARN CC[C@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc(Br)cc1 ZINC000012928513 569024317 /nfs/dbraw/zinc/02/43/17/569024317.db2.gz PVLUMFVDKXHKLY-SFHVURJKSA-N 0 0 401.304 4.679 50 0 HJAARN Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000012931457 569024838 /nfs/dbraw/zinc/02/48/38/569024838.db2.gz PPMOXQXYCKWPGR-GOSISDBHSA-N 0 0 404.514 4.694 50 0 HJAARN Cn1c2ccccc2c([C@H]2c3ccccc3C(=O)N2CCO)c1-c1ccc(F)cc1 ZINC000334163177 569026283 /nfs/dbraw/zinc/02/62/83/569026283.db2.gz NHXQRBOPKQXJRN-XMMPIXPASA-N 0 0 400.453 4.522 50 0 HJAARN O=C(NC(=S)n1nc(Nc2ccccc2)cc1Nc1ccccc1)c1ccco1 ZINC000575443231 569028341 /nfs/dbraw/zinc/02/83/41/569028341.db2.gz QXAWTOIFHZOWSC-UHFFFAOYSA-N 0 0 403.467 4.526 50 0 HJAARN CC[C@H]1CCCCN1C(=O)CSc1nc2ccccc2n1-c1ccc(OC)cc1 ZINC000006187358 569029492 /nfs/dbraw/zinc/02/94/92/569029492.db2.gz CNKUYBKBHQTUKS-KRWDZBQOSA-N 0 0 409.555 4.917 50 0 HJAARN CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2c3ccccc3nc3c2C[C@H](C)CC3)c1C ZINC000006200311 569031620 /nfs/dbraw/zinc/03/16/20/569031620.db2.gz UAFQOLXCUQJZMJ-CYBMUJFWSA-N 0 0 418.493 4.547 50 0 HJAARN CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)CSC1=Nc2ccccc2CS1 ZINC000053615533 569031710 /nfs/dbraw/zinc/03/17/10/569031710.db2.gz TZHOYMOAUVHHOC-KRWDZBQOSA-N 0 0 414.600 4.799 50 0 HJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)NCC[C@@H](CCO)c1ccsc1 ZINC000575606721 569032084 /nfs/dbraw/zinc/03/20/84/569032084.db2.gz JBNUURBSFOWAPK-AWEZNQCLSA-N 0 0 404.919 4.651 50 0 HJAARN COc1cc(NC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)cc(OC)c1OC ZINC000035326951 569032904 /nfs/dbraw/zinc/03/29/04/569032904.db2.gz FEMNTNQZSVLLAR-UHFFFAOYSA-N 0 0 422.359 4.639 50 0 HJAARN Cc1cc(Cl)ccc1OCC(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000006217088 569033263 /nfs/dbraw/zinc/03/32/63/569033263.db2.gz GQDUPAZIISHOPO-INIZCTEOSA-N 0 0 416.930 4.849 50 0 HJAARN Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)Nc4ccc(C)c(C)c4)C3)nn2)cc1 ZINC000035398104 569035060 /nfs/dbraw/zinc/03/50/60/569035060.db2.gz LJEAMOPPJCMJTI-NRFANRHFSA-N 0 0 400.526 4.924 50 0 HJAARN CCc1ccc(NC(=O)C2CCN(c3ccc(-c4cccc(C)c4)nn3)CC2)cc1 ZINC000035398383 569035145 /nfs/dbraw/zinc/03/51/45/569035145.db2.gz PKSLMKREGFFOMK-UHFFFAOYSA-N 0 0 400.526 4.870 50 0 HJAARN CCCc1ccc(S(=O)(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc1 ZINC000035399216 569035262 /nfs/dbraw/zinc/03/52/62/569035262.db2.gz JMQIIKKWMJUKCW-UHFFFAOYSA-N 0 0 421.566 4.535 50 0 biogenic HJAARN COc1ccc2c(c1)NC1(CCN(C(=O)c3ccccc3Cl)CC1)c1cccn1-2 ZINC000035399537 569035401 /nfs/dbraw/zinc/03/54/01/569035401.db2.gz CSWUSMQNECKWGW-UHFFFAOYSA-N 0 0 407.901 4.696 50 0 biogenic HJAARN Cc1oc(-c2ccc(C)cc2)nc1CN1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000575615139 569036185 /nfs/dbraw/zinc/03/61/85/569036185.db2.gz FPOWQZXXURCJMN-UHFFFAOYSA-N 0 0 409.917 4.570 50 0 HJAARN Cc1nn(CCNC(=O)COc2ccc(Cl)cc2Cl)c(C)c1-c1ccsc1 ZINC000575615598 569036220 /nfs/dbraw/zinc/03/62/20/569036220.db2.gz RBQAJJYVOXSJCP-UHFFFAOYSA-N 0 0 424.353 4.730 50 0 HJAARN Cn1cc([C@@H]2CN(C(=O)CCc3c(Cl)cccc3Cl)Cc3ccccc32)cn1 ZINC000575618046 569037636 /nfs/dbraw/zinc/03/76/36/569037636.db2.gz DHVBFWGZMWDZQG-IBGZPJMESA-N 0 0 414.336 4.834 50 0 HJAARN Cc1ccsc1C(=O)Nc1ccc(Oc2nc3ccccc3n3cnnc23)cc1 ZINC000035460963 569038257 /nfs/dbraw/zinc/03/82/57/569038257.db2.gz XMQDOLQEIXOTSM-UHFFFAOYSA-N 0 0 401.451 4.692 50 0 HJAARN Cc1ccc(CC(=O)Nc2cccc(Oc3nc4ccccc4n4cnnc34)c2)cc1 ZINC000035461111 569038258 /nfs/dbraw/zinc/03/82/58/569038258.db2.gz UKKCXIJMKIUPJU-UHFFFAOYSA-N 0 0 409.449 4.559 50 0 HJAARN CCc1ccc(C(=O)Nc2cccc(Oc3nc4ccccc4n4cnnc34)c2)cc1 ZINC000035461120 569038288 /nfs/dbraw/zinc/03/82/88/569038288.db2.gz PZHGJIBRLRJXLP-UHFFFAOYSA-N 0 0 409.449 4.885 50 0 HJAARN CCCOC(=O)c1cc(C(C)C)sc1NC(=O)c1cc(OC)c(OC)cc1OC ZINC000006636226 569039029 /nfs/dbraw/zinc/03/90/29/569039029.db2.gz WOKVPGUCGSIYPQ-UHFFFAOYSA-N 0 0 421.515 4.716 50 0 HJAARN C[C@@H]1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccccc2)N3)[C@@H](C)C1 ZINC000169619787 569039109 /nfs/dbraw/zinc/03/91/09/569039109.db2.gz RITNIPPOVKZPDM-OAOQPFQOSA-N 0 0 406.452 4.804 50 0 HJAARN COc1ccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)cc1Cl ZINC000035481201 569039437 /nfs/dbraw/zinc/03/94/37/569039437.db2.gz CJDQKXYYXZORGR-UHFFFAOYSA-N 0 0 406.667 4.549 50 0 HJAARN COc1ccc(NC(=O)c2nn(C)c3c2CSc2ccc(Cl)cc2-3)c(OC)c1 ZINC000035506671 569040920 /nfs/dbraw/zinc/04/09/20/569040920.db2.gz PTKCYCDBFJVVFT-UHFFFAOYSA-N 0 0 415.902 4.616 50 0 HJAARN O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CC(OCc2ccc(Cl)cc2)C1 ZINC000035509089 569041080 /nfs/dbraw/zinc/04/10/80/569041080.db2.gz ZLFCPNOIGAIGJB-UHFFFAOYSA-N 0 0 419.974 4.977 50 0 HJAARN CC[C@@H](C(=O)N1CCc2nc(NC(=O)c3ccsc3)sc2C1)c1ccccc1 ZINC000090582872 569041253 /nfs/dbraw/zinc/04/12/53/569041253.db2.gz JJGVOOGKUDKCOE-MRXNPFEDSA-N 0 0 411.552 4.535 50 0 HJAARN O=C(Nc1cccc(F)c1)N1CCCN(c2nc3cc(F)ccc3n3cccc23)CC1 ZINC000035510385 569042247 /nfs/dbraw/zinc/04/22/47/569042247.db2.gz SFBNQZUAXYINSZ-UHFFFAOYSA-N 0 0 421.451 4.510 50 0 HJAARN Cc1ccc2c(C)c(CCC(=O)Nc3ccc(Br)cc3F)c(=O)oc2c1 ZINC000012978975 569042621 /nfs/dbraw/zinc/04/26/21/569042621.db2.gz HQZHAHMSIPMIBS-UHFFFAOYSA-N 0 0 418.262 4.883 50 0 HJAARN Cc1ccc(-n2ncc3c2NC(=O)C[C@@H]3c2cc(Br)ccc2F)cc1 ZINC000035511539 569043065 /nfs/dbraw/zinc/04/30/65/569043065.db2.gz OIDNGJFVKMLMSI-CQSZACIVSA-N 0 0 400.251 4.556 50 0 HJAARN Brc1cn2c(cn1)nc(-c1ccccc1)c2Nc1ccc2c(c1)OCO2 ZINC000035511601 569043135 /nfs/dbraw/zinc/04/31/35/569043135.db2.gz VOKOPNOMXOGUIG-UHFFFAOYSA-N 0 0 409.243 4.631 50 0 HJAARN Cc1ccc([C@H](C)NC(=O)C2CCN(c3ncc(-c4cccc(C)c4)cn3)CC2)cc1 ZINC000035513287 569043241 /nfs/dbraw/zinc/04/32/41/569043241.db2.gz MPRCGKWVQSQKPW-FQEVSTJZSA-N 0 0 414.553 4.854 50 0 HJAARN Cc1ccccc1NC(=S)NCC(C)(C)CNC(=S)Nc1ccccc1C ZINC000006334612 569044242 /nfs/dbraw/zinc/04/42/42/569044242.db2.gz WIJIVIMQSWDIEF-UHFFFAOYSA-N 0 0 400.617 4.603 50 0 HJAARN CCCCn1nc(C(=O)Nc2nc(-c3ccccc3)cs2)c2ccccc2c1=O ZINC000006338024 569044447 /nfs/dbraw/zinc/04/44/47/569044447.db2.gz JQWRALIFSUYDCN-UHFFFAOYSA-N 0 0 404.495 4.572 50 0 HJAARN O=C(Cc1ccccc1Br)Nc1cccc(-c2noc(C3CCC3)n2)c1 ZINC000035552268 569044576 /nfs/dbraw/zinc/04/45/76/569044576.db2.gz DTXPGAAZEAEMKI-UHFFFAOYSA-N 0 0 412.287 4.948 50 0 HJAARN O=S(=O)(Nc1ccc(F)cc1Cl)c1cc(-c2noc(C3CCC3)n2)cs1 ZINC000035557283 569044719 /nfs/dbraw/zinc/04/47/19/569044719.db2.gz DUGOGTMWMOGPKE-UHFFFAOYSA-N 0 0 413.883 4.659 50 0 HJAARN COc1ccc(C(=O)[C@H](C)Sc2nnc([C@@H](C)Oc3ccc(F)cc3)o2)cc1 ZINC000006374642 569045350 /nfs/dbraw/zinc/04/53/50/569045350.db2.gz DMMCGGNRJWMLFH-OLZOCXBDSA-N 0 0 402.447 4.721 50 0 HJAARN Cc1sc2nc(SCc3ccc(F)cc3)n(Cc3ccccn3)c(=O)c2c1C ZINC000006399605 569046725 /nfs/dbraw/zinc/04/67/25/569046725.db2.gz KDFGHNZSXJQNOH-UHFFFAOYSA-N 0 0 411.527 4.950 50 0 HJAARN Cn1c(SCC(=O)c2cccc([C@@H]3CC3(Cl)Cl)c2)nnc1-c1ccncc1 ZINC000035670605 569048431 /nfs/dbraw/zinc/04/84/31/569048431.db2.gz OLQOYEMBIGTKQN-HNNXBMFYSA-N 0 0 419.337 4.513 50 0 HJAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(Cl)cc1F ZINC000013012910 569050590 /nfs/dbraw/zinc/05/05/90/569050590.db2.gz SLZKMCWENNBSDY-UHFFFAOYSA-N 0 0 402.775 4.599 50 0 HJAARN COc1ccc(C(NC(=O)COc2ccc(Cl)cc2)c2ccc(OC)cc2)cc1 ZINC000013015748 569050837 /nfs/dbraw/zinc/05/08/37/569050837.db2.gz AZJMGWKPBVKBCW-UHFFFAOYSA-N 0 0 411.885 4.642 50 0 HJAARN C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(Cc2coc(-c3ccccc3)n2)C1=O ZINC000013017406 569050991 /nfs/dbraw/zinc/05/09/91/569050991.db2.gz RSNSTZVGSHAORR-FQEVSTJZSA-N 0 0 416.264 4.616 50 0 HJAARN COCCCn1c(S[C@@H](C)c2nc(C(C)C)no2)nnc1-c1ccccc1Cl ZINC000013023584 569051241 /nfs/dbraw/zinc/05/12/41/569051241.db2.gz ZJSXHQGWGMYBNA-ZDUSSCGKSA-N 0 0 421.954 4.995 50 0 HJAARN O=C(Oc1cccc2ccccc21)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000001782166 569052798 /nfs/dbraw/zinc/05/27/98/569052798.db2.gz MGUFUQCTAIMOSS-HSZRJFAPSA-N 0 0 421.452 4.653 50 0 HJAARN COCCOC(=O)c1c(C)oc2ccc(OCc3ccc(Br)cc3)cc21 ZINC000001797681 569053332 /nfs/dbraw/zinc/05/33/32/569053332.db2.gz OCJOAKVBKXNYGT-UHFFFAOYSA-N 0 0 419.271 4.886 50 0 HJAARN CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2)cc1 ZINC000239284855 569054127 /nfs/dbraw/zinc/05/41/27/569054127.db2.gz CEWBLLUBUURYNV-UPVQGACJSA-N 0 0 404.897 5.981 50 0 HJAARN C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000239309981 569054175 /nfs/dbraw/zinc/05/41/75/569054175.db2.gz HZKVNARUPWAUGY-IECBHUPTSA-N 0 0 420.553 4.662 50 0 HJAARN O=C(Nc1ccc(Br)cc1)[C@H]1[C@@H]2CC[C@@H]3[C@H](CC[C@@H]21)C3(Cl)Cl ZINC000239310274 569054184 /nfs/dbraw/zinc/05/41/84/569054184.db2.gz IHGXONDQOAQJQW-OYQDBORRSA-N 0 0 403.147 5.244 50 0 HJAARN CC(C)c1ccc(Cn2nccc2NC(=O)NCc2ccc3c(=O)cc[nH]c3c2)cc1 ZINC000240934442 569054614 /nfs/dbraw/zinc/05/46/14/569054614.db2.gz JCCKIVZBABUJBL-UHFFFAOYSA-N 0 0 415.497 4.630 50 0 HJAARN CC(C)CCSc1nnc2n1c1sc3c(c1c(=O)n2C)CC[C@H](C(C)(C)C)C3 ZINC000001837628 569056465 /nfs/dbraw/zinc/05/64/65/569056465.db2.gz UHLUGDTXKZWCAC-ZDUSSCGKSA-N 0 0 418.632 4.932 50 0 HJAARN Cc1cccc(NC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cc2)c1 ZINC000035744741 569057202 /nfs/dbraw/zinc/05/72/02/569057202.db2.gz GYVMSDAUMDOYQP-UHFFFAOYSA-N 0 0 414.509 4.601 50 0 HJAARN O=c1c(=Cc2ccc(Sc3ccc(Cl)cc3)o2)sc2nc3ccccc3n12 ZINC000001901879 569057401 /nfs/dbraw/zinc/05/74/01/569057401.db2.gz JBYNKKWVONNKTB-UHFFFAOYSA-N 0 0 410.907 4.855 50 0 HJAARN O=c1cc(CN2CCN(c3cccc(Cl)c3)CC2)c2cc3c(cc2o1)CCCC3 ZINC000054106021 569057561 /nfs/dbraw/zinc/05/75/61/569057561.db2.gz CEWKSVLCWCPSNV-UHFFFAOYSA-N 0 0 408.929 4.647 50 0 HJAARN CCc1nc(C)c([C@@H](C)N(C)C(=O)N[C@@H](C)c2cnn(Cc3ccccc3)c2)s1 ZINC000089289880 569058011 /nfs/dbraw/zinc/05/80/11/569058011.db2.gz ROZNBPFFQPWVRW-DOTOQJQBSA-N 0 0 411.575 4.722 50 0 HJAARN C[C@H](CC(=O)N(Cc1ccco1)Cc1ccc(OS(C)(=O)=O)cc1)CC(C)(C)C ZINC000035770114 569058369 /nfs/dbraw/zinc/05/83/69/569058369.db2.gz PRNNFVYXXLUOMZ-QGZVFWFLSA-N 0 0 421.559 4.609 50 0 HJAARN CN(c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1F ZINC000089365265 569058688 /nfs/dbraw/zinc/05/86/88/569058688.db2.gz ZSKYUPYFFRHCOG-UHFFFAOYSA-N 0 0 419.861 4.523 50 0 HJAARN O=C(CSc1nnc(Cc2cccc3ccccc32)n1C1CCCCC1)NC1CC1 ZINC000006476735 569058729 /nfs/dbraw/zinc/05/87/29/569058729.db2.gz RDTICMONZHVMPS-UHFFFAOYSA-N 0 0 420.582 4.898 50 0 HJAARN CC[C@@H](NC(=O)C12C[C@H]3C[C@@H](C1)CC(n1nnc(C)n1)(C3)C2)c1ccc(C(C)C)cc1 ZINC000006489649 569059579 /nfs/dbraw/zinc/05/95/79/569059579.db2.gz DFGQYBMSUFJTEQ-YUUFSNJYSA-N 0 0 421.589 4.668 50 0 HJAARN COC(=O)c1c(NC(=O)c2c(OC)cccc2OC)sc(C)c1-c1ccccc1 ZINC000001973932 569060062 /nfs/dbraw/zinc/06/00/62/569060062.db2.gz RKTNGHJYUZVOSX-UHFFFAOYSA-N 0 0 411.479 4.780 50 0 HJAARN C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000016591227 569060199 /nfs/dbraw/zinc/06/01/99/569060199.db2.gz UTSWMUVKQRJNRT-SJLPKXTDSA-N 0 0 406.448 4.867 50 0 HJAARN Cc1cc(=O)oc2cc(OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c(Cl)cc12 ZINC000002149034 569060489 /nfs/dbraw/zinc/06/04/89/569060489.db2.gz COBLEPBJWOTBDZ-HNNXBMFYSA-N 0 0 423.893 4.600 50 0 biogenic HJAARN CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(Cc1ccccc1)C3 ZINC000026954204 569061596 /nfs/dbraw/zinc/06/15/96/569061596.db2.gz URBCUYYNEVGHHK-UHFFFAOYSA-N 0 0 419.575 4.727 50 0 HJAARN CSCC[C@H](NC(=O)CCC(=O)c1cc(C)ccc1C)c1nc2ccccc2[nH]1 ZINC000016646094 569061607 /nfs/dbraw/zinc/06/16/07/569061607.db2.gz UDRCSAJZQGFLAK-FQEVSTJZSA-N 0 0 409.555 4.753 50 0 HJAARN O=C(Nc1ccc(C(F)(F)F)cc1)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000006508948 569061924 /nfs/dbraw/zinc/06/19/24/569061924.db2.gz PXZMNYNZNHXYDL-UHFFFAOYSA-N 0 0 409.367 4.657 50 0 HJAARN Cc1ccc(Oc2nccnc2N2CCC[C@H](C(=O)Nc3cccc(F)c3)C2)cc1 ZINC000064452339 569062888 /nfs/dbraw/zinc/06/28/88/569062888.db2.gz AILVOVPAEQYQIR-KRWDZBQOSA-N 0 0 406.461 4.572 50 0 HJAARN CC(C)CC(=O)N1CCN(c2nc(C(C)C)nc3sc4c(c32)CC[C@H](C)C4)CC1 ZINC000035865904 569063304 /nfs/dbraw/zinc/06/33/04/569063304.db2.gz NYYFFDUXJUVPAK-INIZCTEOSA-N 0 0 414.619 4.634 50 0 HJAARN O=C(c1cnc2ccc(F)cc2c1Nc1ccccc1Cl)N1CCSCC1 ZINC000064471678 569063509 /nfs/dbraw/zinc/06/35/09/569063509.db2.gz ZSYOXAFHHXCZJU-UHFFFAOYSA-N 0 0 401.894 4.960 50 0 HJAARN COc1cccc(Nc2cc(C(=O)N3CCCCC3)nc3cc(OC)c(OC)cc32)c1 ZINC000064474048 569063597 /nfs/dbraw/zinc/06/35/97/569063597.db2.gz BLRPQEJJSXWLGB-UHFFFAOYSA-N 0 0 421.497 4.630 50 0 HJAARN C[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N(C)Cc1ccccc1 ZINC000006531291 569064105 /nfs/dbraw/zinc/06/41/05/569064105.db2.gz OPEYUVPWUVMFHW-QGZVFWFLSA-N 0 0 421.566 4.651 50 0 HJAARN CC[C@@H]1Oc2ccc(NC(=O)Cc3ccccc3)cc2CN(Cc2ccccc2)C1=O ZINC000035873028 569064175 /nfs/dbraw/zinc/06/41/75/569064175.db2.gz HMLLWCZZOYWKFI-QHCPKHFHSA-N 0 0 414.505 4.568 50 0 HJAARN CC[C@H]1Oc2ccc(NC(=O)C(C)C)cc2CN([C@@H]2CCCc3ccccc32)C1=O ZINC000035874069 569064257 /nfs/dbraw/zinc/06/42/57/569064257.db2.gz ITUJOLLUPAHYIP-FGZHOGPDSA-N 0 0 406.526 4.858 50 0 HJAARN C[C@H]1Oc2ccc(NC(=O)c3ccccc3)cc2CN(Cc2ccc(Cl)cc2)C1=O ZINC000035885271 569064582 /nfs/dbraw/zinc/06/45/82/569064582.db2.gz BWDOOKOBHCUOBS-MRXNPFEDSA-N 0 0 420.896 4.902 50 0 HJAARN O=C(Nc1ccc2c(c1)CN(CCc1ccccc1)C(=O)CO2)c1ccc(Cl)cc1 ZINC000035885857 569064604 /nfs/dbraw/zinc/06/46/04/569064604.db2.gz IHSNJZIORXVAIN-UHFFFAOYSA-N 0 0 420.896 4.556 50 0 HJAARN Cc1nc(-c2cccc(F)c2)nc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)c1C ZINC000035890327 569064906 /nfs/dbraw/zinc/06/49/06/569064906.db2.gz CXSIHBOCJVWOBN-UHFFFAOYSA-N 0 0 424.907 4.515 50 0 HJAARN Cc1nc(-c2cccc(F)c2)nc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1C ZINC000035890293 569064923 /nfs/dbraw/zinc/06/49/23/569064923.db2.gz BXMMAHKROTXMJI-UHFFFAOYSA-N 0 0 424.907 4.515 50 0 HJAARN COc1ccc(C(=O)Nc2ccc([C@H]3SCC(=O)N3c3cccc(F)c3)cc2)cc1 ZINC000035927275 569066546 /nfs/dbraw/zinc/06/65/46/569066546.db2.gz FQTHNKMJJGZZBN-HSZRJFAPSA-N 0 0 422.481 4.865 50 0 HJAARN C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 ZINC000006571128 569066666 /nfs/dbraw/zinc/06/66/66/569066666.db2.gz LPAMWOMFYWGENP-WBVHZDCISA-N 0 0 412.584 4.783 50 0 HJAARN C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)c2ccc(-c3ccccc3)cc2)C1=O ZINC000006580523 569066854 /nfs/dbraw/zinc/06/68/54/569066854.db2.gz NFMBJCPFXHEFRC-DEOSSOPVSA-N 0 0 418.880 4.657 50 0 HJAARN COc1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc32)cn1 ZINC000006580641 569066905 /nfs/dbraw/zinc/06/69/05/569066905.db2.gz RFZMMVLLSJZJQQ-UHFFFAOYSA-N 0 0 415.449 4.575 50 0 HJAARN CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000006587103 569067841 /nfs/dbraw/zinc/06/78/41/569067841.db2.gz CRRUSOSIBVSAPA-XMMPIXPASA-N 0 0 402.494 4.801 50 0 HJAARN CCOc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(OCc3cscn3)cc2)cc1 ZINC000006589961 569068201 /nfs/dbraw/zinc/06/82/01/569068201.db2.gz LIMUNHFIGPHYKY-OAHLLOKOSA-N 0 0 411.479 4.549 50 0 HJAARN Cc1cc(C)c2c(c1)[C@@H](NC(=O)COc1ccc(Oc3ccccn3)cc1)CCO2 ZINC000089582673 569070606 /nfs/dbraw/zinc/07/06/06/569070606.db2.gz AZDYKAFXQARLKU-NRFANRHFSA-N 0 0 404.466 4.510 50 0 HJAARN COc1ccc(NC(=O)c2cc(NC(=O)c3ccco3)ccc2N2CCCCC2)cc1 ZINC000004758223 569071456 /nfs/dbraw/zinc/07/14/56/569071456.db2.gz LSFBZOASRWLBFO-UHFFFAOYSA-N 0 0 419.481 4.783 50 0 HJAARN COc1ccc(C(=O)[C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 ZINC000005670420 569071992 /nfs/dbraw/zinc/07/19/92/569071992.db2.gz ITRRDDIVDBXDFN-AVRDEDQJSA-N 0 0 408.841 4.694 50 0 HJAARN CC[C@H]1CCCN(C(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)CC1 ZINC000426428975 569072992 /nfs/dbraw/zinc/07/29/92/569072992.db2.gz OEPPTNQWOKVXAG-KRWDZBQOSA-N 0 0 401.576 4.564 50 0 HJAARN CN(C)c1ccc(-c2noc(CCN(Cc3ccccc3)C(=O)CC(C)(C)C)n2)cc1 ZINC000036000484 569074961 /nfs/dbraw/zinc/07/49/61/569074961.db2.gz XXAYXIFWYKFCBW-UHFFFAOYSA-N 0 0 420.557 4.810 50 0 HJAARN COc1ccc(-c2cc(CN(Cc3ccccc3)C(=O)c3ccco3)no2)c(OC)c1 ZINC000036001803 569075221 /nfs/dbraw/zinc/07/52/21/569075221.db2.gz VOPLYCBJZPMJMV-UHFFFAOYSA-N 0 0 418.449 4.794 50 0 HJAARN COc1ccc(NC(=O)Cc2c(C)c3c4occ(C)c4c(C)cc3oc2=O)c(OC)c1 ZINC000006623925 569075357 /nfs/dbraw/zinc/07/53/57/569075357.db2.gz DFILFDIYVJCBNU-UHFFFAOYSA-N 0 0 421.449 4.663 50 0 biogenic HJAARN CC1CCN(c2nc(-c3ccc(F)cc3)ncc2C(=O)NCc2ccc(F)cc2)CC1 ZINC000036002794 569075361 /nfs/dbraw/zinc/07/53/61/569075361.db2.gz XJMWVQKYMGYFKM-UHFFFAOYSA-N 0 0 422.479 4.588 50 0 HJAARN COc1ccc(OC)c(NC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)c1 ZINC000006623879 569075397 /nfs/dbraw/zinc/07/53/97/569075397.db2.gz CYIQYCVWJGAGCP-UHFFFAOYSA-N 0 0 421.449 4.745 50 0 biogenic HJAARN Cc1oc2c(cc3c(C)c(CC(=O)Nc4ccc5c(c4)OCO5)c(=O)oc3c2C)c1C ZINC000006624334 569075515 /nfs/dbraw/zinc/07/55/15/569075515.db2.gz PXKHXKLPEWWBCF-UHFFFAOYSA-N 0 0 419.433 4.683 50 0 biogenic HJAARN CCCN(CC(=O)Nc1ccccc1C)[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000006638221 569077192 /nfs/dbraw/zinc/07/71/92/569077192.db2.gz CZIOUGBWFBOVFG-LJQANCHMSA-N 0 0 403.526 4.826 50 0 HJAARN O=C(C[C@H]1COc2ccccc2N1Cc1ccccc1)NCCCc1ccccc1 ZINC000064663369 569079528 /nfs/dbraw/zinc/07/95/28/569079528.db2.gz VLAYDAPRDXCESF-QHCPKHFHSA-N 0 0 400.522 4.593 50 0 HJAARN O=C(C[C@H]1COc2cc(F)ccc2N1Cc1ccccc1)NCCC1=CCCCC1 ZINC000064663484 569079567 /nfs/dbraw/zinc/07/95/67/569079567.db2.gz DFVRUHDYIJWHJI-QFIPXVFZSA-N 0 0 408.517 4.990 50 0 HJAARN O=C(CSc1nc2ccccc2[nH]1)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000006651972 569081668 /nfs/dbraw/zinc/08/16/68/569081668.db2.gz UQOBUBXWQDGJQN-HXUWFJFHSA-N 0 0 401.491 4.822 50 0 HJAARN CCCC[C@H](C)Cn1c(SCC(=O)NC2CC2)nnc1-c1ccc(Cl)cc1 ZINC000006652103 569081699 /nfs/dbraw/zinc/08/16/99/569081699.db2.gz FPDHUKFCORWSIX-AWEZNQCLSA-N 0 0 406.983 4.796 50 0 HJAARN O=C(CNc1ccccc1N1CCCCC1)Nc1ccc(Br)cc1F ZINC000007973122 569083727 /nfs/dbraw/zinc/08/37/27/569083727.db2.gz GFNVBLYDRYMKAL-UHFFFAOYSA-N 0 0 406.299 4.629 50 0 HJAARN CSCC[C@H](NC(=O)c1ccccc1-c1ccccc1)c1nnc2ccccn21 ZINC000006662508 569085622 /nfs/dbraw/zinc/08/56/22/569085622.db2.gz NLAKVNCLUDJPGU-FQEVSTJZSA-N 0 0 402.523 4.621 50 0 HJAARN Cc1ccc(CN(Cc2nc(C(=O)NCC(C)C)co2)Cc2ccc(F)cc2)cc1 ZINC000036068528 569085862 /nfs/dbraw/zinc/08/58/62/569085862.db2.gz MOFVVMIWMOVOIB-UHFFFAOYSA-N 0 0 409.505 4.710 50 0 HJAARN COCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1ccc(OC)cc1 ZINC000006665470 569086084 /nfs/dbraw/zinc/08/60/84/569086084.db2.gz XMQIOVWSJLYJCY-UHFFFAOYSA-N 0 0 418.497 4.556 50 0 HJAARN CCN(CC)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)C2)c(C)c1 ZINC000064731395 569086513 /nfs/dbraw/zinc/08/65/13/569086513.db2.gz XLLCIILQEUOJBM-OAQYLSRUSA-N 0 0 421.585 4.949 50 0 HJAARN CC[C@@H](C)NC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2cccc(F)c2)n1 ZINC000036072444 569086635 /nfs/dbraw/zinc/08/66/35/569086635.db2.gz KAOVRYMIJZPZJF-MRXNPFEDSA-N 0 0 413.468 4.684 50 0 HJAARN COc1c2cc(Cl)ccc2sc1C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000064756620 569089858 /nfs/dbraw/zinc/08/98/58/569089858.db2.gz SGFZFLZDXXPMQI-UHFFFAOYSA-N 0 0 402.903 4.652 50 0 HJAARN Cc1cccc(Nc2nnc(CC(=O)Nc3ccc(OC(F)(F)F)cc3)s2)c1 ZINC000064757788 569091127 /nfs/dbraw/zinc/09/11/27/569091127.db2.gz ZEKVTTTYQDEHIV-UHFFFAOYSA-N 0 0 408.405 4.670 50 0 HJAARN Cc1ccc(Nc2nnc(CC(=O)Nc3ccc(OC(F)(F)F)cc3)s2)cc1 ZINC000064757737 569091159 /nfs/dbraw/zinc/09/11/59/569091159.db2.gz GABMTDQVSSIXBQ-UHFFFAOYSA-N 0 0 408.405 4.670 50 0 HJAARN CCc1c(C(=O)NC[C@@H]2CCCO2)c(CC(C)C)nn1-c1ccc(Cl)c(Cl)c1 ZINC000006694855 569091334 /nfs/dbraw/zinc/09/13/34/569091334.db2.gz WGGZBGJCFYJOBW-HNNXBMFYSA-N 0 0 424.372 4.849 50 0 HJAARN COc1ccc(C2=NO[C@@H](CN(Cc3cccc(F)c3)C(=O)CC(C)(C)C)C2)cc1 ZINC000006695182 569091454 /nfs/dbraw/zinc/09/14/54/569091454.db2.gz CMYGQHONAQWTDH-OAQYLSRUSA-N 0 0 412.505 4.792 50 0 HJAARN CCOc1ccccc1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC ZINC000064762065 569091910 /nfs/dbraw/zinc/09/19/10/569091910.db2.gz WHBHQWRSGUACHT-UHFFFAOYSA-N 0 0 422.506 4.533 50 0 HJAARN COc1ccc(OCc2nc(CN(CC(C)C)C(=O)C3CCCC3)cs2)cc1 ZINC000036106194 569092969 /nfs/dbraw/zinc/09/29/69/569092969.db2.gz CYYANYVWXPHUKW-UHFFFAOYSA-N 0 0 402.560 4.906 50 0 HJAARN COCCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1ccccc1C ZINC000036106909 569093324 /nfs/dbraw/zinc/09/33/24/569093324.db2.gz JIFRFMRYBXXQCL-UHFFFAOYSA-N 0 0 424.566 4.936 50 0 HJAARN Cc1oc(-c2ccc(C)cc2)nc1Cn1nnc(C(=O)Nc2ccc(C)cc2C)c1C ZINC000064774963 569093389 /nfs/dbraw/zinc/09/33/89/569093389.db2.gz UICSBWUUKXQQME-UHFFFAOYSA-N 0 0 415.497 4.776 50 0 HJAARN CCc1cccc(C)c1NC(=O)c1cnc2scc(-c3cccc(OC)c3)n2c1=O ZINC000064787925 569094336 /nfs/dbraw/zinc/09/43/36/569094336.db2.gz BQDVWROHIVJYOC-UHFFFAOYSA-N 0 0 419.506 4.555 50 0 HJAARN O=C(Nc1ccccc1[C@@H]1SCC(=O)N1c1ccccc1F)c1ccc(F)cc1 ZINC000006706137 569095181 /nfs/dbraw/zinc/09/51/81/569095181.db2.gz AMABPCADJKZAAU-QFIPXVFZSA-N 0 0 410.445 4.996 50 0 HJAARN CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(Cc2ccccc2)C(=O)C(C)C)c1 ZINC000006712248 569097246 /nfs/dbraw/zinc/09/72/46/569097246.db2.gz AJKDYKIXNGXORX-UHFFFAOYSA-N 0 0 409.574 4.922 50 0 HJAARN Cc1ccc(C(=O)Nc2ccc(Nc3cc(C)nc(N4CCCC4)n3)cc2)c(C)c1 ZINC000064800817 569097543 /nfs/dbraw/zinc/09/75/43/569097543.db2.gz DPXWVTWRVXSKRP-UHFFFAOYSA-N 0 0 401.514 4.998 50 0 HJAARN COc1cccc(C(=O)Nc2ccc(Nc3cc(C)nc(N4CCCCC4)n3)cc2)c1 ZINC000064800932 569097573 /nfs/dbraw/zinc/09/75/73/569097573.db2.gz RUBLLEUJPJSJTA-UHFFFAOYSA-N 0 0 417.513 4.780 50 0 HJAARN CC[C@H](C)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)C(=O)c1cccc(F)c1 ZINC000006722375 569099480 /nfs/dbraw/zinc/09/94/80/569099480.db2.gz UQQHPQFGNRIZEZ-INIZCTEOSA-N 0 0 411.521 4.681 50 0 HJAARN CC(C)C(=O)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)[C@@H](C)c1ccccc1 ZINC000006722297 569099539 /nfs/dbraw/zinc/09/95/39/569099539.db2.gz XKDPRKWHJHVMER-SFHVURJKSA-N 0 0 407.558 4.847 50 0 HJAARN CC[C@@H](C)N(Cc1cc(NC(=O)NC(C)C)ccc1N(C)C)C(=O)CC(C)(C)C ZINC000006722220 569099566 /nfs/dbraw/zinc/09/95/66/569099566.db2.gz JSRQMYDLPDDUEX-QGZVFWFLSA-N 0 0 404.599 4.846 50 0 HJAARN CCNC(=O)Nc1ccc(N(C)C)c(CN(C(=O)c2cccc(C)c2)[C@@H](C)C(C)C)c1 ZINC000006722412 569099593 /nfs/dbraw/zinc/09/95/93/569099593.db2.gz XYWTZXWLIOQCRS-IBGZPJMESA-N 0 0 424.589 4.889 50 0 HJAARN CC(C)CN(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)C(=O)c1cccc(F)c1 ZINC000006722482 569099601 /nfs/dbraw/zinc/09/96/01/569099601.db2.gz RWSZRZCHESOPCO-UHFFFAOYSA-N 0 0 411.521 4.539 50 0 HJAARN CC[C@H](C)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)C(=O)c1ccc(OC)cc1 ZINC000006722858 569099833 /nfs/dbraw/zinc/09/98/33/569099833.db2.gz OINSEPAPDQJJPD-KRWDZBQOSA-N 0 0 423.557 4.551 50 0 HJAARN Cc1ccc(C(=O)N2CCS[C@]23c2ccccc2N(Cc2ccccc2)C3=O)cc1 ZINC000036152504 569100205 /nfs/dbraw/zinc/10/02/05/569100205.db2.gz IDAVNDMRAGEDAB-VWLOTQADSA-N 0 0 414.530 4.584 50 0 HJAARN CCC(=O)N1CC(C)(C)S[C@]12c1cc(Cl)ccc1N(Cc1ccccc1)C2=O ZINC000036155608 569102027 /nfs/dbraw/zinc/10/20/27/569102027.db2.gz YKFRCJQIFRROAA-QFIPXVFZSA-N 0 0 414.958 4.804 50 0 HJAARN COc1ccc(NC(=O)c2c(C)onc2-c2ccc(Br)s2)c(OC)c1 ZINC000064820089 569102369 /nfs/dbraw/zinc/10/23/69/569102369.db2.gz HKUQBNYKICFQSO-UHFFFAOYSA-N 0 0 423.288 4.744 50 0 HJAARN CC(C)N1c2ccccc2[C@]2(SCCN2C(=O)Nc2cccc(Cl)c2)C1=O ZINC000036163341 569103110 /nfs/dbraw/zinc/10/31/10/569103110.db2.gz SYPIPGSMESPENF-FQEVSTJZSA-N 0 0 401.919 4.529 50 0 HJAARN CC(C)N1c2ccccc2[C@]2(SCCN2C(=O)Nc2ccc(Cl)cc2)C1=O ZINC000036163371 569103120 /nfs/dbraw/zinc/10/31/20/569103120.db2.gz WWXIIWIOYHGLSH-FQEVSTJZSA-N 0 0 401.919 4.529 50 0 HJAARN CCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc3c(c2)OCO3)c1 ZINC000006734058 569104313 /nfs/dbraw/zinc/10/43/13/569104313.db2.gz UFUNPTWNMYFAGG-JOCHJYFZSA-N 0 0 412.511 4.713 50 0 HJAARN COc1cc(NC(=O)c2ccc3c(c2)nc2c(c3Cl)CCC2)cc(OC)c1OC ZINC000006738821 569105500 /nfs/dbraw/zinc/10/55/00/569105500.db2.gz XIYCSNODWPTNEY-UHFFFAOYSA-N 0 0 412.873 4.655 50 0 HJAARN Cc1noc(C)c1-c1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1 ZINC000064837828 569106076 /nfs/dbraw/zinc/10/60/76/569106076.db2.gz HKDXFKBGVGGSIX-UHFFFAOYSA-N 0 0 407.289 4.522 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)N1CCC(CC(=O)NCc2ccc(F)cc2)CC1 ZINC000064847298 569107183 /nfs/dbraw/zinc/10/71/83/569107183.db2.gz CLAOOGQPHNNIHX-UHFFFAOYSA-N 0 0 417.912 4.738 50 0 HJAARN Cc1cccc(S(=O)(=O)N2CCC3(CC2)Nc2ccc(C)c(C)c2-n2cccc23)c1 ZINC000064848204 569107463 /nfs/dbraw/zinc/10/74/63/569107463.db2.gz RNYOUIAFEXYVEF-UHFFFAOYSA-N 0 0 421.566 4.508 50 0 biogenic HJAARN COc1cccc(CC(=O)N2CCC3(CC2)Nc2ccc(Cl)cc2-n2cccc23)c1 ZINC000064848305 569107615 /nfs/dbraw/zinc/10/76/15/569107615.db2.gz FYWLMJSFTXYUFC-UHFFFAOYSA-N 0 0 421.928 4.625 50 0 biogenic HJAARN Cc1ccc(CSc2nc3ccncc3n2CC(=O)N(C)c2ccccc2)cc1 ZINC000006752221 569110229 /nfs/dbraw/zinc/11/02/29/569110229.db2.gz PXPRKKPORXJZED-UHFFFAOYSA-N 0 0 402.523 4.695 50 0 HJAARN CC[C@H](C(=O)NC1CCCC1)n1c2cnccc2nc1SCc1ccc(OC)cc1 ZINC000006752294 569110319 /nfs/dbraw/zinc/11/03/19/569110319.db2.gz INOGWEJECZAQLN-HXUWFJFHSA-N 0 0 424.570 4.742 50 0 HJAARN O=C(C1CCC1)N(Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2Cl)=NO1 ZINC000006753757 569110731 /nfs/dbraw/zinc/11/07/31/569110731.db2.gz LWDCJMBMZJYORL-GOSISDBHSA-N 0 0 400.881 4.801 50 0 HJAARN Cc1ccc(O)c(-c2n[nH]c3c2[C@@H](c2ccccc2F)N(Cc2ccco2)C3=O)c1 ZINC000006753261 569110747 /nfs/dbraw/zinc/11/07/47/569110747.db2.gz KCGNWMHNDRLLNS-JOCHJYFZSA-N 0 0 403.413 4.568 50 0 aggregator HJAARN CCOc1cccc([C@H]2c3c([nH]nc3-c3ccccc3O)C(=O)N2Cc2ccco2)c1 ZINC000006752789 569111312 /nfs/dbraw/zinc/11/13/12/569111312.db2.gz QHTKIXUTTFBWGV-QHCPKHFHSA-N 0 0 415.449 4.519 50 0 HJAARN CCCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCC)cc1 ZINC000006752938 569111605 /nfs/dbraw/zinc/11/16/05/569111605.db2.gz UXFBXNXJGQDLAB-HSZRJFAPSA-N 0 0 405.498 4.916 50 0 HJAARN CCCCOc1ccc(NC(=O)c2cc3c(nc4c(C)cccn4c3=O)s2)cc1 ZINC000006756945 569113162 /nfs/dbraw/zinc/11/31/62/569113162.db2.gz UKFBHSKFZDDMOC-UHFFFAOYSA-N 0 0 407.495 4.649 50 0 HJAARN CCc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(C)cc2)cc1 ZINC000064871989 569113621 /nfs/dbraw/zinc/11/36/21/569113621.db2.gz DAEGDVPHSOBDKV-UHFFFAOYSA-N 0 0 414.552 4.696 50 0 HJAARN Cc1ccc(NC(=O)C2CCN(c3cc(-c4cccc(F)c4)ncn3)CC2)c(C)c1 ZINC000064872985 569113772 /nfs/dbraw/zinc/11/37/72/569113772.db2.gz NILSOMYLEWDJPG-UHFFFAOYSA-N 0 0 404.489 4.755 50 0 HJAARN CCc1ccc(NC(=O)C2CCN(c3cc(-c4ccc(C)cc4)ncn3)CC2)cc1 ZINC000064872785 569113812 /nfs/dbraw/zinc/11/38/12/569113812.db2.gz SWNAEJDJCNWBQU-UHFFFAOYSA-N 0 0 400.526 4.870 50 0 HJAARN Cc1ccc([C@H](C)NC(=O)C2CCN(c3cc(-c4cccc(C)c4)ncn3)CC2)cc1 ZINC000064873066 569113881 /nfs/dbraw/zinc/11/38/81/569113881.db2.gz PEGDJPSLZHFSIO-FQEVSTJZSA-N 0 0 414.553 4.854 50 0 HJAARN CC[C@H](C)N(Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1)C(=O)CC(C)C ZINC000006766052 569114572 /nfs/dbraw/zinc/11/45/72/569114572.db2.gz CUBRWAQXQYQTDB-KRWDZBQOSA-N 0 0 421.534 4.767 50 0 HJAARN CCc1ccccc1NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C)cc1 ZINC000006767053 569115029 /nfs/dbraw/zinc/11/50/29/569115029.db2.gz TZFLZOUJVKJDML-UHFFFAOYSA-N 0 0 420.534 4.561 50 0 HJAARN Cc1ccc(-c2nn(CC(=O)Nc3ccc(C)cc3Cl)c(=O)c3c2CCCC3)cc1 ZINC000006767412 569115126 /nfs/dbraw/zinc/11/51/26/569115126.db2.gz HSGQLOVTMAPJJI-UHFFFAOYSA-N 0 0 421.928 4.698 50 0 HJAARN Cc1cc(C)c(S(=O)(=O)NCCn2c3ccccc3nc2-c2ccccc2)c(C)c1 ZINC000064888190 569115393 /nfs/dbraw/zinc/11/53/93/569115393.db2.gz VUVPXTZJFZIMQO-UHFFFAOYSA-N 0 0 419.550 4.607 50 0 HJAARN CCOC(=O)c1ccccc1NC(=O)NCc1c2c(sc1-n1cccc1)CCCC2 ZINC000006768976 569116052 /nfs/dbraw/zinc/11/60/52/569116052.db2.gz QYVXZAQQBLRSRT-UHFFFAOYSA-N 0 0 423.538 4.916 50 0 HJAARN COc1cccc(-c2nc(-c3ccc4c(c3)nc(C)c(=O)n4C3CCCC3)no2)c1 ZINC000064890516 569116381 /nfs/dbraw/zinc/11/63/81/569116381.db2.gz VXYAXEIGNPSZPX-UHFFFAOYSA-N 0 0 402.454 4.546 50 0 HJAARN COc1cccc(CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2Cl)c1 ZINC000036247892 569117249 /nfs/dbraw/zinc/11/72/49/569117249.db2.gz ZVDCRJOPXIRMOP-UHFFFAOYSA-N 0 0 417.914 4.753 50 0 HJAARN COc1ccc(N(Cc2ccc(F)cc2F)S(=O)(=O)c2ccc(C)c(F)c2)cc1 ZINC000036248180 569117310 /nfs/dbraw/zinc/11/73/10/569117310.db2.gz VPRHWNJTMKHNLK-UHFFFAOYSA-N 0 0 421.440 4.816 50 0 HJAARN COc1ccc(CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000036248420 569117577 /nfs/dbraw/zinc/11/75/77/569117577.db2.gz MXYBMGRFPIFVIS-UHFFFAOYSA-N 0 0 415.486 4.547 50 0 HJAARN COc1cccc(CN(c2ccc(C)c(F)c2)S(=O)(=O)c2cccc(F)c2)c1 ZINC000036248842 569117999 /nfs/dbraw/zinc/11/79/99/569117999.db2.gz NHZUTSRJMUHQPQ-UHFFFAOYSA-N 0 0 403.450 4.677 50 0 HJAARN COc1cccc(CN(c2ccc(F)cc2)S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000036248788 569118296 /nfs/dbraw/zinc/11/82/96/569118296.db2.gz DAEWHMLDFGECHM-UHFFFAOYSA-N 0 0 403.450 4.677 50 0 HJAARN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccn2)[C@H]1c1cccs1 ZINC000006783245 569120760 /nfs/dbraw/zinc/12/07/60/569120760.db2.gz JGCHPHPFLUBTMA-NHCUHLMSSA-N 0 0 405.523 4.719 50 0 HJAARN Cc1ccc(NC(=O)Cc2nc(CSc3ccc4c(c3)OCCO4)cs2)cc1 ZINC000006786714 569121836 /nfs/dbraw/zinc/12/18/36/569121836.db2.gz APAZXKLKSOIFQW-UHFFFAOYSA-N 0 0 412.536 4.696 50 0 HJAARN Cc1ccc(CNC(=O)C2(C)CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1 ZINC000064928063 569122923 /nfs/dbraw/zinc/12/29/23/569122923.db2.gz JNVXBLZPKHPABL-UHFFFAOYSA-N 0 0 413.949 4.907 50 0 HJAARN Cc1ccc(-c2nccc(N3CCC[C@@H](C(=O)NCCC4=CCCCC4)C3)n2)cc1 ZINC000064928980 569123270 /nfs/dbraw/zinc/12/32/70/569123270.db2.gz GNFOFNSNVLSCHP-JOCHJYFZSA-N 0 0 404.558 4.675 50 0 HJAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2CC(C)C)cc1F ZINC000006789574 569123534 /nfs/dbraw/zinc/12/35/34/569123534.db2.gz RFBSYFNGSZEVEK-UHFFFAOYSA-N 0 0 416.497 4.919 50 0 HJAARN CCc1nnc2c(Nc3cccc(F)c3)nc3ccc(C(=O)c4ccccc4)cc3n12 ZINC000006792929 569124869 /nfs/dbraw/zinc/12/48/69/569124869.db2.gz PEVFMUJCGBUBAY-UHFFFAOYSA-N 0 0 411.440 4.954 50 0 HJAARN COc1cccc(NC(=O)CSCc2cnn(-c3ccccc3)c2-n2cccc2)c1 ZINC000006796511 569125091 /nfs/dbraw/zinc/12/50/91/569125091.db2.gz VPGFRLGQVHMNKQ-UHFFFAOYSA-N 0 0 418.522 4.544 50 0 HJAARN COc1cccc(CNC(=O)c2oc3ccc4c(c3c2C)C(=O)CC2(CCCC2)O4)c1 ZINC000006793727 569125307 /nfs/dbraw/zinc/12/53/07/569125307.db2.gz VCXQLQLJHNDVAX-UHFFFAOYSA-N 0 0 419.477 4.958 50 0 biogenic HJAARN CC[C@@H](C(=O)Nc1ccc(OC)cc1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000006799239 569126356 /nfs/dbraw/zinc/12/63/56/569126356.db2.gz VRUHFAWMJBWKSJ-KRWDZBQOSA-N 0 0 407.495 4.518 50 0 HJAARN CC[C@@H](C(=O)NC[C@@H](C)c1ccccc1)n1nc(C)c2sc3ccccc3c2c1=O ZINC000006799325 569126372 /nfs/dbraw/zinc/12/63/72/569126372.db2.gz IYQGLZGJLIUMQE-BEFAXECRSA-N 0 0 419.550 4.791 50 0 HJAARN CCc1ccc(NC(=O)CCCn2nc(C)c3sc4ccccc4c3c2=O)cc1 ZINC000006799407 569126476 /nfs/dbraw/zinc/12/64/76/569126476.db2.gz OXUJUNOMXZNPNY-UHFFFAOYSA-N 0 0 405.523 4.901 50 0 HJAARN CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1CN(C[C@@H](C)O)C1CC1 ZINC000036302780 569128375 /nfs/dbraw/zinc/12/83/75/569128375.db2.gz NDJSELZCSQJOES-GOSISDBHSA-N 0 0 421.541 4.581 50 0 HJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3n3c2nnc3C(C)C)cc1C ZINC000064949229 569129101 /nfs/dbraw/zinc/12/91/01/569129101.db2.gz KZKAUTCPTZIBLN-UHFFFAOYSA-N 0 0 405.527 4.749 50 0 HJAARN CCc1ccc(-n2nc(-c3nc(-c4ccccc4OC)no3)c3ccccc3c2=O)cc1 ZINC000064950071 569129796 /nfs/dbraw/zinc/12/97/96/569129796.db2.gz RACADPIZSQDWCO-UHFFFAOYSA-N 0 0 424.460 4.674 50 0 HJAARN CCOc1ccc(CC[NH2+]Cc2c(C)n(Cc3ccc(F)cc3)c(C)c2C(=O)[O-])cc1 ZINC000006806757 569131109 /nfs/dbraw/zinc/13/11/09/569131109.db2.gz MDNGLNBTCSWTCI-UHFFFAOYSA-N 0 0 424.516 4.722 50 0 HJAARN CC[C@H](C(=O)Nc1ccc(C)cc1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C ZINC000006807812 569132099 /nfs/dbraw/zinc/13/20/99/569132099.db2.gz IAYZDYPCAGZBPS-JOCHJYFZSA-N 0 0 414.509 4.702 50 0 HJAARN COCCCN(Cc1c(-c2ccccc2)noc1N1CCCC1)C(=O)c1ccccc1 ZINC000036312377 569132760 /nfs/dbraw/zinc/13/27/60/569132760.db2.gz LVTPUWPULWAEBE-UHFFFAOYSA-N 0 0 419.525 4.621 50 0 HJAARN Cc1nn2c(nc(C)c(CC(=O)Nc3ccc(F)cc3F)c2C)c1-c1ccccc1 ZINC000006808864 569133009 /nfs/dbraw/zinc/13/30/09/569133009.db2.gz HOVXZYPAUBYQCF-UHFFFAOYSA-N 0 0 406.436 4.781 50 0 HJAARN CSc1cccc(NC(=O)Cc2c(C)nc3cc(-c4ccccc4)nn3c2C)c1 ZINC000006808992 569133044 /nfs/dbraw/zinc/13/30/44/569133044.db2.gz IZDNJIWGUAOJSN-UHFFFAOYSA-N 0 0 402.523 4.916 50 0 HJAARN Cc1nn2c(nc(C)c(CC(=O)NCc3ccc(C)cc3)c2C)c1-c1ccc(F)cc1 ZINC000006809159 569133190 /nfs/dbraw/zinc/13/31/90/569133190.db2.gz AXINQYSUEQUJMB-UHFFFAOYSA-N 0 0 416.500 4.628 50 0 HJAARN Cc1nn2c(nc(C)c(CC(=O)N[C@@H](C)c3ccccc3)c2C)c1-c1ccc(F)cc1 ZINC000006809166 569133318 /nfs/dbraw/zinc/13/33/18/569133318.db2.gz LRUVTGNGNDXNRN-HNNXBMFYSA-N 0 0 416.500 4.881 50 0 HJAARN COc1ccc([C@H](C)NC(=O)c2ccc3cnn(Cc4ccc(F)cc4)c3c2)cc1 ZINC000064955841 569133717 /nfs/dbraw/zinc/13/37/17/569133717.db2.gz OFPMMFFWDICFKL-INIZCTEOSA-N 0 0 403.457 4.723 50 0 HJAARN CC(C)(C)c1ccc2oc(CN3CCN(C(=O)Nc4ccc(F)cc4)CC3)nc2c1 ZINC000064957203 569134655 /nfs/dbraw/zinc/13/46/55/569134655.db2.gz SWQSUAXYVPMDIC-UHFFFAOYSA-N 0 0 410.493 4.614 50 0 HJAARN O=C(c1cccc(Br)c1)N1CCC[C@H](OCc2cc(F)cc(F)c2)C1 ZINC000036315364 569134864 /nfs/dbraw/zinc/13/48/64/569134864.db2.gz VWCCYTRDODIEQR-SFHVURJKSA-N 0 0 410.258 4.549 50 0 HJAARN CCOC(=O)c1nc2onc(-c3ccccc3Cl)c2c(Nc2ccc(F)cc2)n1 ZINC000064960357 569135548 /nfs/dbraw/zinc/13/55/48/569135548.db2.gz SSVWDSBUKZURCT-UHFFFAOYSA-N 0 0 412.808 4.998 50 0 HJAARN CCOc1cccc2c1O[C@@H](c1cc(OC)ccc1OC)N1N=C(c3ccco3)C[C@@H]21 ZINC000169685683 569135586 /nfs/dbraw/zinc/13/55/86/569135586.db2.gz QPALJGBVDIWHNM-CYFREDJKSA-N 0 0 420.465 4.938 50 0 HJAARN Cc1ccc(C(=O)NCc2cccc(F)c2)cc1NC(=O)c1nsc2ccccc21 ZINC000064972640 569139666 /nfs/dbraw/zinc/13/96/66/569139666.db2.gz WQHYCYYMWALVOD-UHFFFAOYSA-N 0 0 419.481 4.926 50 0 HJAARN Cc1cn2c(nc(COc3ccc(C)cc3NC(=O)c3ccc(C)cc3)cc2=O)s1 ZINC000064976834 569139790 /nfs/dbraw/zinc/13/97/90/569139790.db2.gz IUYRECOOGHJOMI-UHFFFAOYSA-N 0 0 419.506 4.513 50 0 HJAARN Cc1ccc(C(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccc(Cl)cc2)cc1 ZINC000064978125 569140232 /nfs/dbraw/zinc/14/02/32/569140232.db2.gz NUDSRBJUJWAQJB-UHFFFAOYSA-N 0 0 404.897 4.781 50 0 HJAARN O=c1n2nc(-c3ccc(F)cc3)nc2c2ccccc2n1Cc1c(F)cccc1Cl ZINC000064977915 569140329 /nfs/dbraw/zinc/14/03/29/569140329.db2.gz BVFLPBRPFPRHRZ-UHFFFAOYSA-N 0 0 422.822 4.691 50 0 HJAARN CCCn1cnc2cc(-c3noc([C@H]4CC(=O)N(c5cccc(Cl)c5)C4)n3)ccc21 ZINC000064980101 569141237 /nfs/dbraw/zinc/14/12/37/569141237.db2.gz RDBDXOYXTOPXJC-HNNXBMFYSA-N 0 0 421.888 4.670 50 0 HJAARN Cc1occc1-c1nnc(S[C@H](C(=O)N(C)C)c2ccccc2)n1-c1ccccc1 ZINC000006830491 569143950 /nfs/dbraw/zinc/14/39/50/569143950.db2.gz SNKRSXZYZRIVCZ-FQEVSTJZSA-N 0 0 418.522 4.757 50 0 HJAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(-c2cc(N3CCCCC3)ncn2)cc1 ZINC000064989389 569145896 /nfs/dbraw/zinc/14/58/96/569145896.db2.gz HOUSYOQFYMKHGS-UHFFFAOYSA-N 0 0 420.944 4.760 50 0 HJAARN C[C@H]1Cc2ccc(CNC(=O)CSc3ccccc3)cc2N1C(=O)c1ccccc1 ZINC000064989908 569146194 /nfs/dbraw/zinc/14/61/94/569146194.db2.gz HUZAVXIBRWFFPG-SFHVURJKSA-N 0 0 416.546 4.687 50 0 HJAARN Cc1cccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccc(F)cc4F)cc32)c1 ZINC000064990912 569146651 /nfs/dbraw/zinc/14/66/51/569146651.db2.gz QOTXMXYUGBKSLI-UHFFFAOYSA-N 0 0 421.447 4.798 50 0 HJAARN O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1cccc(F)c1 ZINC000006831392 569147539 /nfs/dbraw/zinc/14/75/39/569147539.db2.gz SGFSKKBECYTDCU-UHFFFAOYSA-N 0 0 410.499 4.866 50 0 HJAARN O=C(NCc1nc2ccccc2[nH]1)c1cc2occc2n1Cc1ccccc1Cl ZINC000036354550 569148108 /nfs/dbraw/zinc/14/81/08/569148108.db2.gz RHSVYEPJBNXBTB-UHFFFAOYSA-N 0 0 404.857 4.742 50 0 HJAARN Cn1c(CNC(=O)c2cc3occc3n2Cc2ccc(Cl)cc2)nc2ccccc21 ZINC000036356969 569148601 /nfs/dbraw/zinc/14/86/01/569148601.db2.gz GEBZBLVKVBGHSI-UHFFFAOYSA-N 0 0 418.884 4.753 50 0 HJAARN CC1(C)CC(=O)c2cn(-c3ccc(F)cc3)c(=O)c(C(=O)Nc3ccc(F)cc3)c2C1 ZINC000065000014 569150870 /nfs/dbraw/zinc/15/08/70/569150870.db2.gz YBMLMIRHVNBJGD-UHFFFAOYSA-N 0 0 422.431 4.523 50 0 HJAARN C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)CSC(c1ccccc1)c1ccccc1 ZINC000006840228 569151265 /nfs/dbraw/zinc/15/12/65/569151265.db2.gz KPZDMPUSZZFVJG-RXVVDRJESA-N 0 0 411.567 4.747 50 0 HJAARN 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COc1cc(NC(=O)c2sc(Nc3ccc(C)cc3)nc2C)cc(OC)c1OC ZINC000065184786 569191336 /nfs/dbraw/zinc/19/13/36/569191336.db2.gz LRSHUYNFXXGGFE-UHFFFAOYSA-N 0 0 413.499 4.782 50 0 HJAARN CCSc1ccc(-c2cccc(NC(=O)Nc3cc(OC)cc(OC)c3)c2)nn1 ZINC000065185954 569191960 /nfs/dbraw/zinc/19/19/60/569191960.db2.gz CQUHNNQYVHOLTQ-UHFFFAOYSA-N 0 0 410.499 4.917 50 0 HJAARN CC(=O)Nc1ccc(C(=O)Nc2ccsc2-c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000065218985 569198200 /nfs/dbraw/zinc/19/82/00/569198200.db2.gz SRQKXPBDEPQZKU-UHFFFAOYSA-N 0 0 418.478 4.984 50 0 HJAARN Cc1ccc(NC(=O)c2cn(-c3ncccc3-c3nc(-c4ccccc4)no3)cn2)cc1 ZINC000065250783 569206317 /nfs/dbraw/zinc/20/63/17/569206317.db2.gz AILYQYWVAJAIIX-UHFFFAOYSA-N 0 0 422.448 4.545 50 0 HJAARN Cn1nccc1NC(=O)c1cc(-c2ccccc2)nc2onc(-c3ccc(F)cc3)c21 ZINC000036618533 569210108 /nfs/dbraw/zinc/21/01/08/569210108.db2.gz WDHARMFWGDRDAH-UHFFFAOYSA-N 0 0 413.412 4.682 50 0 HJAARN CC(=O)N1CC2=C(C1=O)[C@H](c1ccsc1)c1cn(CC(C)C)c3cccc(c13)N2 ZINC000524732119 569212634 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CCN(CC)C(=O)[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccccc1 ZINC000007112710 569221641 /nfs/dbraw/zinc/22/16/41/569221641.db2.gz TXUVPMMGQPUDEN-OAQYLSRUSA-N 0 0 420.582 4.906 50 0 HJAARN Cc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c(C)n1-c1nccs1 ZINC000007113030 569221668 /nfs/dbraw/zinc/22/16/68/569221668.db2.gz VLANDPQEGNTNIF-FQEVSTJZSA-N 0 0 404.495 4.910 50 0 HJAARN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3cccc(Cl)c3)no2)cc1C ZINC000065320886 569224038 /nfs/dbraw/zinc/22/40/38/569224038.db2.gz GFHOKFSMZFKGRX-SFHVURJKSA-N 0 0 417.918 4.533 50 0 HJAARN Cc1sc(C(=O)N2CCCC2)c2ncnc(NCc3ccc(F)cc3Cl)c12 ZINC000065321182 569224213 /nfs/dbraw/zinc/22/42/13/569224213.db2.gz MIJCNFIZMWWMDV-UHFFFAOYSA-N 0 0 404.898 4.640 50 0 HJAARN Cc1nc(SCc2nc(-c3ccc(F)cc3)no2)[nH]c(=O)c1Cc1ccccc1 ZINC000065330903 569225098 /nfs/dbraw/zinc/22/50/98/569225098.db2.gz SCJLYFAGEMICDV-UHFFFAOYSA-N 0 0 408.458 4.563 50 0 HJAARN CCCOc1c(OC)cccc1[C@@H]1CC(=O)Nc2c1cnn2-c1cccc(Cl)c1 ZINC000065331172 569225196 /nfs/dbraw/zinc/22/51/96/569225196.db2.gz QTRFQBDGIHBYOJ-KRWDZBQOSA-N 0 0 411.889 4.797 50 0 HJAARN CSc1ccccc1C(=O)N(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C1CC1 ZINC000036730296 569226502 /nfs/dbraw/zinc/22/65/02/569226502.db2.gz ZAICIGUHEHIDGX-UHFFFAOYSA-N 0 0 422.472 4.505 50 0 HJAARN Cc1nn(CCNC(=O)c2ccc(C(=O)c3ccccc3)cc2)c(C)c1-c1ccccc1 ZINC000238870710 569226759 /nfs/dbraw/zinc/22/67/59/569226759.db2.gz MVFMQRFDJUOIFS-UHFFFAOYSA-N 0 0 423.516 4.828 50 0 HJAARN COc1ccc(CC(=O)Nc2ccccc2N2CCc3ccccc32)c(OC)c1OC ZINC000036755185 569226860 /nfs/dbraw/zinc/22/68/60/569226860.db2.gz AVJBWSGAKWTRQE-UHFFFAOYSA-N 0 0 418.493 4.588 50 0 HJAARN COc1ccccc1NC(=O)[C@H](C)Sc1nc(C(F)(F)F)nc2ccccc21 ZINC000007160856 569226911 /nfs/dbraw/zinc/22/69/11/569226911.db2.gz KTLQIPYQLFNVMK-NSHDSACASA-N 0 0 407.417 4.777 50 0 HJAARN Cc1cc(NC(=O)[C@H](C)Sc2nc3ccccc3c(Nc3ccccc3)n2)no1 ZINC000007185328 569227579 /nfs/dbraw/zinc/22/75/79/569227579.db2.gz YFZZFDDUCFZSMI-AWEZNQCLSA-N 0 0 405.483 4.789 50 0 HJAARN CC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)CSc2ccccc2Cl)cc1 ZINC000036772172 569227757 /nfs/dbraw/zinc/22/77/57/569227757.db2.gz OOBNUCATAWXVJK-UHFFFAOYSA-N 0 0 419.930 4.843 50 0 HJAARN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000007217473 569229213 /nfs/dbraw/zinc/22/92/13/569229213.db2.gz AXRYXJJPYUBWHK-OAHLLOKOSA-N 0 0 412.458 4.841 50 0 HJAARN Cc1ccccc1-c1noc(COC(=O)c2ccc(-n3cnc4ccccc43)cc2)n1 ZINC000007225894 569229494 /nfs/dbraw/zinc/22/94/94/569229494.db2.gz SXAVSYODCLTKMH-UHFFFAOYSA-N 0 0 410.433 4.741 50 0 HJAARN Cn1c(COc2ccccc2Cl)nnc1SCc1ncc(-c2ccccc2)o1 ZINC000007236101 569230083 /nfs/dbraw/zinc/23/00/83/569230083.db2.gz ZUBDWBKAQFDUHP-UHFFFAOYSA-N 0 0 412.902 4.995 50 0 HJAARN CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)[C@@H](OC(C)=O)C[C@H]32)C1 ZINC000253612543 569230695 /nfs/dbraw/zinc/23/06/95/569230695.db2.gz VYZPGMGWYUEREY-USNTYYDESA-N 0 0 418.574 4.708 50 0 HJAARN Cc1ccc(C)n1NC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc(C)cc2C)cc1 ZINC000007302010 569232879 /nfs/dbraw/zinc/23/28/79/569232879.db2.gz RFFNANPZLMIKCI-LJQANCHMSA-N 0 0 405.498 4.512 50 0 HJAARN O=S(=O)(c1ccc(Cl)cc1F)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000007307025 569232931 /nfs/dbraw/zinc/23/29/31/569232931.db2.gz QOMRKMGNMDXBNS-GFCCVEGCSA-N 0 0 410.923 4.657 50 0 HJAARN O=C(Nc1ncccc1OCC1CCCCC1)c1ccc2c(c1)NC(=O)CCS2 ZINC000065512634 569233407 /nfs/dbraw/zinc/23/34/07/569233407.db2.gz YCLLTKGWZXIZCA-UHFFFAOYSA-N 0 0 411.527 4.727 50 0 HJAARN O=C(Nc1nc(-c2ccccn2)cs1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000065547388 569234755 /nfs/dbraw/zinc/23/47/55/569234755.db2.gz GQWCPTYSMLUTKB-UHFFFAOYSA-N 0 0 417.263 4.840 50 0 HJAARN O=C(CCSCc1cc(Cl)cc2cccnc21)Nc1ccc2c(c1)OCO2 ZINC000065595312 569236895 /nfs/dbraw/zinc/23/68/95/569236895.db2.gz ZKSAEAXRDUXXOC-UHFFFAOYSA-N 0 0 400.887 4.879 50 0 HJAARN COc1cc(C(C)=O)ccc1Oc1ncnc2c1cnn2-c1cc(Cl)ccc1C ZINC000007444703 569239259 /nfs/dbraw/zinc/23/92/59/569239259.db2.gz UWGSHLLJIYRTIS-UHFFFAOYSA-N 0 0 408.845 4.781 50 0 HJAARN CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccc5c(c4)OCO5)cc3)c2O1 ZINC000007454167 569239660 /nfs/dbraw/zinc/23/96/60/569239660.db2.gz ZLEQOPWCIILQQU-UHFFFAOYSA-N 0 0 417.461 4.960 50 0 HJAARN CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1nc2ccccc2s1 ZINC000007473318 569240227 /nfs/dbraw/zinc/24/02/27/569240227.db2.gz DXDOLGIBXNMBJW-HAVBXNNZSA-N 0 0 411.571 4.592 50 0 HJAARN COc1cc2c(cc1NC(=O)[C@@]1(C)Cc3ccccc3C(=O)O1)oc1ccccc12 ZINC000007474992 569240346 /nfs/dbraw/zinc/24/03/46/569240346.db2.gz AYTIBBQBBOQEKZ-XMMPIXPASA-N 0 0 401.418 4.705 50 0 HJAARN CCOc1ccc(-c2nc(C(=O)N3CCC(n4cc(Cl)cn4)CC3)cs2)cc1 ZINC000170593394 569241218 /nfs/dbraw/zinc/24/12/18/569241218.db2.gz ZZJAGBQAKFIVCK-UHFFFAOYSA-N 0 0 416.934 4.536 50 0 HJAARN Cc1nc(C(F)(F)F)c(COC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)s1 ZINC000170595199 569241474 /nfs/dbraw/zinc/24/14/74/569241474.db2.gz FONYRNLGUKCWCK-UHFFFAOYSA-N 0 0 424.400 4.981 50 0 HJAARN Clc1ccccc1-n1c(SCCCO[C@@H]2CCCCO2)nnc1N1CCCC1 ZINC000170595587 569241549 /nfs/dbraw/zinc/24/15/49/569241549.db2.gz ARNVHSCXOLKTNH-GOSISDBHSA-N 0 0 422.982 4.546 50 0 HJAARN O=C(c1csc(-c2cccs2)n1)N1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000170599112 569242706 /nfs/dbraw/zinc/24/27/06/569242706.db2.gz ACKILHVQLBGBMZ-HNNXBMFYSA-N 0 0 408.552 4.774 50 0 HJAARN Cc1cc(I)ccc1NC(=O)c1cc(O)ccc1C(F)(F)F ZINC000170610184 569245486 /nfs/dbraw/zinc/24/54/86/569245486.db2.gz CRCLLVUWJRPGBT-UHFFFAOYSA-N 0 0 421.156 4.576 50 0 HJAARN Cc1c(NC(=O)CCc2ccc(Cl)cc2Cl)nnn1Cc1ccccc1F ZINC000170614732 569247144 /nfs/dbraw/zinc/24/71/44/569247144.db2.gz GVUYUQSDILIYRI-UHFFFAOYSA-N 0 0 407.276 4.652 50 0 HJAARN COc1cccc(C2=NN(C(C)=O)[C@@H](c3cc4cccc(OC)c4nc3Cl)C2)c1 ZINC000170615387 569247268 /nfs/dbraw/zinc/24/72/68/569247268.db2.gz TXQKSTWYTOGODC-LJQANCHMSA-N 0 0 409.873 4.603 50 0 HJAARN CCCCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c2ccccc12 ZINC000170615096 569247347 /nfs/dbraw/zinc/24/73/47/569247347.db2.gz MLAPRXJGHLHDGI-UHFFFAOYSA-N 0 0 424.566 4.530 50 0 HJAARN C[C@H](CO)NC(=O)c1ccc(NCc2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000170616144 569247755 /nfs/dbraw/zinc/24/77/55/569247755.db2.gz KOHCDVWRLPEIIK-CYBMUJFWSA-N 0 0 419.308 4.976 50 0 HJAARN COc1ccc(C2=NN(C(C)=O)[C@H](c3cc4ccc(C)cc4nc3Cl)C2)c(OC)c1 ZINC000170620049 569248179 /nfs/dbraw/zinc/24/81/79/569248179.db2.gz DFDRBPMGDLQBSC-NRFANRHFSA-N 0 0 423.900 4.911 50 0 HJAARN Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@H](c4ccccc4F)C3)cn2)cc1 ZINC000170620689 569248807 /nfs/dbraw/zinc/24/88/07/569248807.db2.gz VMNWCDHYSOULPZ-NRFANRHFSA-N 0 0 407.445 4.927 50 0 HJAARN Cc1cc(C(=O)OCC(=O)N[C@@H](C)c2cc3ccccc3o2)c(C)n1Cc1ccco1 ZINC000007550235 569248967 /nfs/dbraw/zinc/24/89/67/569248967.db2.gz SFYKHAIFCJHELV-INIZCTEOSA-N 0 0 420.465 4.527 50 0 HJAARN O=C(CSc1nnc(C2CC2)n1C1CC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000007551412 569249164 /nfs/dbraw/zinc/24/91/64/569249164.db2.gz QAGKVYVKMBRRMK-LJQANCHMSA-N 0 0 410.568 4.550 50 0 HJAARN Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cn(C)nc1-c1ccccc1Cl ZINC000170623226 569249662 /nfs/dbraw/zinc/24/96/62/569249662.db2.gz CCFQAUXHYIODDK-UHFFFAOYSA-N 0 0 419.872 4.884 50 0 HJAARN COc1ccc(-c2ccc(C(=O)N3CC[C@@H](Nc4ccccc4)C3)c(F)c2)c(F)c1 ZINC000170623058 569249669 /nfs/dbraw/zinc/24/96/69/569249669.db2.gz OTSMAJIBGNJBHL-GOSISDBHSA-N 0 0 408.448 4.967 50 0 HJAARN CC(C)c1noc2ncc(C(=O)N3CCC([C@H](O)c4ccc(Cl)cc4)CC3)cc21 ZINC000170623576 569249829 /nfs/dbraw/zinc/24/98/29/569249829.db2.gz YMUOIHXNQKUXSI-HXUWFJFHSA-N 0 0 413.905 4.585 50 0 HJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)O[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000170625411 569250085 /nfs/dbraw/zinc/25/00/85/569250085.db2.gz CSPYWYYLEDDBQA-ZUOKHONESA-N 0 0 409.873 4.785 50 0 HJAARN O=C(NCCc1ccc(Cl)cc1)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1 ZINC000009882075 569251275 /nfs/dbraw/zinc/25/12/75/569251275.db2.gz MRPSZEUYAPQDFA-UHFFFAOYSA-N 0 0 422.941 4.876 50 0 HJAARN C[C@@H](OC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ncc(Cl)cc1Cl ZINC000009882596 569251326 /nfs/dbraw/zinc/25/13/26/569251326.db2.gz BOGFXINQLQABCF-SECBINFHSA-N 0 0 421.202 4.520 50 0 HJAARN Cc1ccc(NC(=O)Cc2nc(CN(Cc3ccc(F)cc3)C3CC3)cs2)cc1 ZINC000009908862 569251708 /nfs/dbraw/zinc/25/17/08/569251708.db2.gz LCVXDSFLWAKWIN-UHFFFAOYSA-N 0 0 409.530 4.936 50 0 HJAARN O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000009996043 569252689 /nfs/dbraw/zinc/25/26/89/569252689.db2.gz UHOUPGPJYUNBOV-HNNXBMFYSA-N 0 0 400.887 4.698 50 0 HJAARN C[C@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)Nc1ccc2ccccc2c1 ZINC000009995919 569252728 /nfs/dbraw/zinc/25/27/28/569252728.db2.gz HPZVGFNWKLIEIG-ZDUSSCGKSA-N 0 0 423.929 4.585 50 0 HJAARN C[C@@H]1c2cccc(C(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)c2O[C@H]1C ZINC000009996123 569252760 /nfs/dbraw/zinc/25/27/60/569252760.db2.gz HLOMZCZFTJFIOE-HOTGVXAUSA-N 0 0 402.498 4.808 50 0 HJAARN COc1ccc(C(=O)N2c3ncnn3[C@H](c3ccc(C)cc3)C[C@H]2c2ccccc2)cc1 ZINC000010060305 569253092 /nfs/dbraw/zinc/25/30/92/569253092.db2.gz ZIFDXUHKYVVKFM-ZEQRLZLVSA-N 0 0 424.504 4.976 50 0 HJAARN COc1ccc(SCCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1 ZINC000010219558 569253878 /nfs/dbraw/zinc/25/38/78/569253878.db2.gz NTBALMVXPKNSKI-UHFFFAOYSA-N 0 0 400.525 4.948 50 0 HJAARN O=c1nc(SCc2ccc(Cl)cc2Cl)c2c(n1C[C@H]1CCCO1)CCC2 ZINC000010255421 569254087 /nfs/dbraw/zinc/25/40/87/569254087.db2.gz FYGQJSJXZGPKFN-CQSZACIVSA-N 0 0 411.354 4.510 50 0 HJAARN COc1cc(CNC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(OC)c1OC ZINC000013320457 569254713 /nfs/dbraw/zinc/25/47/13/569254713.db2.gz QPIYQUUUYNETBU-UHFFFAOYSA-N 0 0 418.799 4.706 50 0 HJAARN Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000013331630 569255241 /nfs/dbraw/zinc/25/52/41/569255241.db2.gz IPLCNLKCUOOKJQ-UHFFFAOYSA-N 0 0 412.877 4.617 50 0 HJAARN CCOc1ccc(NC(=O)c2nc(-c3ccc(OC)cc3)n(-c3ccccc3)n2)cc1 ZINC000014609827 569260728 /nfs/dbraw/zinc/26/07/28/569260728.db2.gz FWGSQYRHXIJJTQ-UHFFFAOYSA-N 0 0 414.465 4.594 50 0 HJAARN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000089608820 569261143 /nfs/dbraw/zinc/26/11/43/569261143.db2.gz RVJSGMDZELFZAS-AWEZNQCLSA-N 0 0 420.962 4.988 50 0 HJAARN O=C(CSc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(Br)cc1 ZINC000016840586 569264390 /nfs/dbraw/zinc/26/43/90/569264390.db2.gz RUSFCEYMJVFIAZ-UHFFFAOYSA-N 0 0 407.264 4.974 50 0 HJAARN Cc1cccc(-c2noc(CSc3nc4ccsc4c(=O)n3CC(C)C)n2)c1 ZINC000016843318 569264824 /nfs/dbraw/zinc/26/48/24/569264824.db2.gz DVXJMKBLLOXNMF-UHFFFAOYSA-N 0 0 412.540 4.765 50 0 HJAARN CCOc1ccc(NC(=O)CCc2csc(NC(=O)Nc3ccccc3)n2)cc1 ZINC000016849054 569265512 /nfs/dbraw/zinc/26/55/12/569265512.db2.gz XXKUVOAPOYMTFY-UHFFFAOYSA-N 0 0 410.499 4.757 50 0 HJAARN O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCCc1c[nH]c2ccccc12 ZINC000016850342 569265924 /nfs/dbraw/zinc/26/59/24/569265924.db2.gz HDBCGYMLQXUSGY-UHFFFAOYSA-N 0 0 410.930 4.923 50 0 HJAARN Cc1cc(NC(=O)c2ccc(Br)s2)n(-c2nc3ccccc3s2)n1 ZINC000016851000 569265994 /nfs/dbraw/zinc/26/59/94/569265994.db2.gz WGHFUOVQXXUYQY-UHFFFAOYSA-N 0 0 419.329 4.867 50 0 HJAARN CCc1ccc(NC(=O)c2cccn(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1 ZINC000007573688 569266323 /nfs/dbraw/zinc/26/63/23/569266323.db2.gz GIWGXIKOPRUPMU-UHFFFAOYSA-N 0 0 400.400 4.730 50 0 HJAARN O=C(Nc1cccc(CN2CCOCC2)c1)c1c(Cl)nc2ccccc2c1Cl ZINC000089866539 569267453 /nfs/dbraw/zinc/26/74/53/569267453.db2.gz DKYAOOXYQKTTEV-UHFFFAOYSA-N 0 0 416.308 4.626 50 0 HJAARN COCCn1c(=O)c2[nH]c3ccccc3c2nc1SCc1cccc2ccccc21 ZINC000016942916 569267966 /nfs/dbraw/zinc/26/79/66/569267966.db2.gz YGNWNSXRAJLZOG-UHFFFAOYSA-N 0 0 415.518 4.970 50 0 HJAARN COc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)c(OC)c1 ZINC000016944579 569268106 /nfs/dbraw/zinc/26/81/06/569268106.db2.gz YYZUKPSDRCRSMH-UHFFFAOYSA-N 0 0 422.506 4.611 50 0 HJAARN COc1cc(OC)c(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1OC ZINC000016963624 569269169 /nfs/dbraw/zinc/26/91/69/569269169.db2.gz FFQPSNKOUNJBJF-QFIPXVFZSA-N 0 0 409.507 4.562 50 0 HJAARN Cc1ccc(NC(=O)CCc2csc(NC(=O)NC3CCCCC3)n2)c(C)c1 ZINC000016978809 569270272 /nfs/dbraw/zinc/27/02/72/569270272.db2.gz FDKOMNXQCWEVBO-UHFFFAOYSA-N 0 0 400.548 4.785 50 0 HJAARN Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CCC3)c(C)c1 ZINC000016994347 569271064 /nfs/dbraw/zinc/27/10/64/569271064.db2.gz PCRZCFSFJLLYTK-UHFFFAOYSA-N 0 0 424.522 4.599 50 0 HJAARN Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)CCC3CCCCC3)CC2)n1 ZINC000017012176 569271351 /nfs/dbraw/zinc/27/13/51/569271351.db2.gz QWAZVCJYNBXUNE-UHFFFAOYSA-N 0 0 407.562 4.538 50 0 HJAARN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)ccc1F ZINC000017011184 569271362 /nfs/dbraw/zinc/27/13/62/569271362.db2.gz OPSXHVZDYLWXRR-UHFFFAOYSA-N 0 0 424.497 4.528 50 0 HJAARN Cc1cc(NC(=O)COc2ccccc2F)n(-c2nc(-c3cccs3)cs2)n1 ZINC000017012024 569271388 /nfs/dbraw/zinc/27/13/88/569271388.db2.gz PNQWTOHXFMHHKH-UHFFFAOYSA-N 0 0 414.487 4.522 50 0 HJAARN Cc1cc(Oc2cc(N3CCN(C(=O)CC(C)(C)C)[C@H](C)C3)ncn2)ccc1Cl ZINC000037356488 569272838 /nfs/dbraw/zinc/27/28/38/569272838.db2.gz HTLLDTIHJRVGDR-MRXNPFEDSA-N 0 0 416.953 4.704 50 0 HJAARN Cc1ccc(Cl)c(Oc2cc(N3CCN(C(=O)c4ccccc4)[C@H](C)C3)ncn2)c1 ZINC000037356525 569272889 /nfs/dbraw/zinc/27/28/89/569272889.db2.gz GBWDHRVZDBMVCD-QGZVFWFLSA-N 0 0 422.916 4.582 50 0 HJAARN Cc1cccc(-c2nc3n(n2)[C@H](c2ccccc2)C(C(=O)Nc2cccnc2)=C(C)N3)c1 ZINC000017135538 569275323 /nfs/dbraw/zinc/27/53/23/569275323.db2.gz IKNVPFSIVRVUQL-JOCHJYFZSA-N 0 0 422.492 4.576 50 0 HJAARN O=C(NCCc1csc2nc(-c3cccs3)nn12)c1ccc(C(F)(F)F)cc1 ZINC000017170215 569276207 /nfs/dbraw/zinc/27/62/07/569276207.db2.gz PSSBFZKODAIXLX-UHFFFAOYSA-N 0 0 422.457 4.511 50 0 HJAARN CC[C@H](Sc1nnc2c3ccccc3n(CC)c2n1)C(=O)Nc1ccccc1OC ZINC000000796586 569276736 /nfs/dbraw/zinc/27/67/36/569276736.db2.gz PEVRGVRHMMZNGI-SFHVURJKSA-N 0 0 421.526 4.517 50 0 HJAARN Cc1ccc(NS(=O)(=O)c2ccc(N=NC3=CC(C)CC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000254567632 569277236 /nfs/dbraw/zinc/27/72/36/569277236.db2.gz WUDJNEOJDHDHBR-UHFFFAOYSA-N 0 0 414.487 4.520 50 0 HJAARN Nc1c2c(nn1-c1cccc(F)c1)nc(N1CCCCC1)nc2-c1cccc(Cl)c1 ZINC000037358958 569277433 /nfs/dbraw/zinc/27/74/33/569277433.db2.gz QFGDZPRGYGADEA-UHFFFAOYSA-N 0 0 422.895 4.848 50 0 HJAARN Cc1cc(Cl)ccc1NC(=O)COc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000003612385 569278612 /nfs/dbraw/zinc/27/86/12/569278612.db2.gz CAAGGEFRWCFJTH-UHFFFAOYSA-N 0 0 400.906 4.728 50 0 HJAARN COc1cc(NC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)cc(OC)c1 ZINC000002095933 569280959 /nfs/dbraw/zinc/28/09/59/569280959.db2.gz QDHXHKBJSUJVCC-UHFFFAOYSA-N 0 0 421.449 4.745 50 0 biogenic HJAARN Cc1nc(-c2cnn(C)c2)sc1C(=O)Nc1ccc(C)c(Oc2cc(C)ccn2)c1 ZINC000170640664 569283312 /nfs/dbraw/zinc/28/33/12/569283312.db2.gz SRVRVPWYXIKGBO-UHFFFAOYSA-N 0 0 419.510 4.908 50 0 HJAARN Cc1cccc(-n2nc3nc(N4CCCCC4)nc(-c4cccc(F)c4)c3c2N)c1 ZINC000037360568 569283553 /nfs/dbraw/zinc/28/35/53/569283553.db2.gz XMMKSZFRUYXYOD-UHFFFAOYSA-N 0 0 402.477 4.503 50 0 HJAARN CCCOc1ccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OCC ZINC000002111590 569284100 /nfs/dbraw/zinc/28/41/00/569284100.db2.gz DVRJHTXMJFZNDQ-AAJFVQQISA-N 0 0 406.526 4.511 50 0 biogenic HJAARN Cc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(Br)cc1F)CO3 ZINC000002122704 569285589 /nfs/dbraw/zinc/28/55/89/569285589.db2.gz VJCWGWAFZGZODL-UHFFFAOYSA-N 0 0 404.235 4.668 50 0 biogenic HJAARN CSc1cccc(NC(=O)[C@H]2CC[C@H](Cn3cnc4ccccc4c3=O)CC2)c1 ZINC000252460932 569286703 /nfs/dbraw/zinc/28/67/03/569286703.db2.gz JHCGEHIYTLJYIL-QAQDUYKDSA-N 0 0 407.539 4.564 50 0 HJAARN O=C(OCc1ccc(Cl)cc1Cl)c1ccccc1I ZINC000002544915 569288461 /nfs/dbraw/zinc/28/84/61/569288461.db2.gz TTYSYDILQFPOTF-UHFFFAOYSA-N 0 0 407.034 4.955 50 0 HJAARN CCOc1nc(-c2cccc(F)c2)n(-c2cccc(NC(=O)c3ccccc3F)c2)n1 ZINC000037385468 569295244 /nfs/dbraw/zinc/29/52/44/569295244.db2.gz KBEQCHAXVIOGTN-UHFFFAOYSA-N 0 0 420.419 4.864 50 0 HJAARN COc1ccccc1-c1c(=O)c2ccccc2n(C)c1NC(=O)c1ccccc1F ZINC000002204611 569296169 /nfs/dbraw/zinc/29/61/69/569296169.db2.gz YUZFZGASVBLGLG-UHFFFAOYSA-N 0 0 402.425 4.606 50 0 HJAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccc(C)cc2C)cc1 ZINC000002206149 569296643 /nfs/dbraw/zinc/29/66/43/569296643.db2.gz GQOPLWXDUFKEHV-UHFFFAOYSA-N 0 0 400.478 4.768 50 0 aggregator HJAARN Cc1ccccc1-n1c2nnc(S)n2c2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 ZINC000002209299 569297147 /nfs/dbraw/zinc/29/71/47/569297147.db2.gz SZNLGUSYINQWDT-CYBMUJFWSA-N 0 0 424.595 4.843 50 0 HJAARN O=C(CN1CC=C(c2ccccc2)CC1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000007647452 569298484 /nfs/dbraw/zinc/29/84/84/569298484.db2.gz BQHUANUPXPZHSK-DEOSSOPVSA-N 0 0 406.526 4.882 50 0 HJAARN CCCCCn1nc(C(=O)Nc2nc3c(cccc3C)s2)c2ccccc2c1=O ZINC000007654351 569299142 /nfs/dbraw/zinc/29/91/42/569299142.db2.gz KDQXMBWLTWZLBR-UHFFFAOYSA-N 0 0 406.511 4.757 50 0 HJAARN CC(C)(C)c1csc(N(CC(=O)NC[C@@H]2CCCO2)c2ccc(Cl)cc2)n1 ZINC000037438484 569299521 /nfs/dbraw/zinc/29/95/21/569299521.db2.gz IPZPIUJXZKOJEV-INIZCTEOSA-N 0 0 407.967 4.527 50 0 HJAARN O=C(CCCn1c(=O)oc2ccccc21)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000007723684 569302698 /nfs/dbraw/zinc/30/26/98/569302698.db2.gz KLEUOCGCJXUWHG-UHFFFAOYSA-N 0 0 413.886 4.790 50 0 HJAARN COc1ccc(C(C)=O)cc1CC(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000007735511 569304538 /nfs/dbraw/zinc/30/45/38/569304538.db2.gz YLEGGMCJDPYQHK-UHFFFAOYSA-N 0 0 406.507 4.691 50 0 HJAARN COc1ccccc1CCNC(=O)c1cc2sccc2n1CCOc1ccccc1 ZINC000037541430 569304923 /nfs/dbraw/zinc/30/49/23/569304923.db2.gz ZBYPWVOLSXQMML-UHFFFAOYSA-N 0 0 420.534 4.763 50 0 HJAARN COc1ccc(CCNC(=S)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000007735948 569304953 /nfs/dbraw/zinc/30/49/53/569304953.db2.gz SOYMXJUMQJDWNH-UHFFFAOYSA-N 0 0 402.523 4.768 50 0 HJAARN COc1ccccc1Cn1c(C(=O)N2CCCC2)cc2sc(Br)cc21 ZINC000037541806 569305585 /nfs/dbraw/zinc/30/55/85/569305585.db2.gz GFGDESGPOAWNPB-UHFFFAOYSA-N 0 0 419.344 4.758 50 0 HJAARN CC[C@H](C)NC(=O)[C@H]1CC[C@H](c2ccccc2)N(C(=O)Nc2ccc(F)cc2F)C1 ZINC000037546131 569305787 /nfs/dbraw/zinc/30/57/87/569305787.db2.gz MUXYLTCZWTUWAJ-HZUJVAHNSA-N 0 0 415.484 4.865 50 0 HJAARN COc1ccc(-c2cc3ncnc(Sc4nnc(NC5CC5)s4)c3s2)cc1 ZINC000015116430 569306165 /nfs/dbraw/zinc/30/61/65/569306165.db2.gz SWVCCTYDSFJARU-UHFFFAOYSA-N 0 0 413.553 4.944 50 0 HJAARN COc1ccc(CCNC(=O)Cc2ccc(NCc3ccc(C)c(C)c3)cc2)cc1 ZINC000037554711 569306247 /nfs/dbraw/zinc/30/62/47/569306247.db2.gz HOSJIUSALWRMAX-UHFFFAOYSA-N 0 0 402.538 4.826 50 0 HJAARN CC(C)NC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)c2cccc(F)c2)cc1 ZINC000037555730 569306352 /nfs/dbraw/zinc/30/63/52/569306352.db2.gz UIBQUVKLBWLJSI-UHFFFAOYSA-N 0 0 404.485 4.740 50 0 HJAARN CCC(=O)N(Cc1ccc(F)cc1)c1ccc(CC(=O)N(C)Cc2ccco2)cc1 ZINC000037557136 569306473 /nfs/dbraw/zinc/30/64/73/569306473.db2.gz WCVAANVKHOSYJG-UHFFFAOYSA-N 0 0 408.473 4.563 50 0 HJAARN CC(C)c1ccc([C@@]2(C)NC(=O)N(Cc3csc(-c4ccccc4)n3)C2=O)cc1 ZINC000007777913 569308826 /nfs/dbraw/zinc/30/88/26/569308826.db2.gz XJQRESOUYOYKFO-HSZRJFAPSA-N 0 0 405.523 4.901 50 0 HJAARN Cc1ccc(C(=O)N(Cc2ccc(F)cc2)c2cccc(CC(=O)NC3CC3)c2)cc1 ZINC000037600741 569309013 /nfs/dbraw/zinc/30/90/13/569309013.db2.gz UXBMKZQGVRCDSQ-UHFFFAOYSA-N 0 0 416.496 4.802 50 0 HJAARN Clc1ccc(-c2nnc(SCCOc3ccccc3)n2C[C@@H]2CCCO2)cc1 ZINC000007779957 569309426 /nfs/dbraw/zinc/30/94/26/569309426.db2.gz BQEYNFGIHXLSSJ-IBGZPJMESA-N 0 0 415.946 4.949 50 0 HJAARN Cc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c(Cl)c1 ZINC000007803552 569311750 /nfs/dbraw/zinc/31/17/50/569311750.db2.gz ZADXQWFRHXQODE-UHFFFAOYSA-N 0 0 420.962 4.774 50 0 HJAARN COc1cc(C(=O)NCc2ccc(-c3csc(C)n3)s2)cc(Cl)c1OC ZINC000007821140 569312982 /nfs/dbraw/zinc/31/29/82/569312982.db2.gz XCEUICQSXLHJJH-UHFFFAOYSA-N 0 0 408.932 4.781 50 0 HJAARN COc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)o2)cc1 ZINC000007826944 569313382 /nfs/dbraw/zinc/31/33/82/569313382.db2.gz BSXZELQJRKIQAX-HNNXBMFYSA-N 0 0 423.538 4.594 50 0 HJAARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1cccc(Br)c1 ZINC000007841905 569314105 /nfs/dbraw/zinc/31/41/05/569314105.db2.gz KGNSSHFJDKYYLM-UHFFFAOYSA-N 0 0 409.711 4.512 50 0 HJAARN COc1cccc(NC(=O)[C@@H](Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)c1 ZINC000007848218 569314520 /nfs/dbraw/zinc/31/45/20/569314520.db2.gz IDOYZBQUAXQXFI-DEOSSOPVSA-N 0 0 415.493 4.614 50 0 HJAARN CC(C)(C)n1ncc2c1N=C1NC(=O)N(c3ccccc3)[C@H]1[C@@H]2c1ccc(F)cc1 ZINC000066091491 569314528 /nfs/dbraw/zinc/31/45/28/569314528.db2.gz QRFAKHADZYSJMT-MOPGFXCFSA-N 0 0 403.461 4.551 50 0 HJAARN CN1CCN(n2c(-c3ccc(Cl)cc3Cl)csc2=Nc2ccccc2)CC1 ZINC000252671006 569319370 /nfs/dbraw/zinc/31/93/70/569319370.db2.gz MJGDRVQMAZLKRQ-UHFFFAOYSA-N 0 0 419.381 4.639 50 0 HJAARN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+](Cc4ccco4)C[C@H]4CCCO4)[C@H]3C=C12 ZINC000252695361 569320409 /nfs/dbraw/zinc/32/04/09/569320409.db2.gz YSZZLAPSDPZFFH-SGKVWYKLSA-N 0 0 413.558 4.575 50 0 biogenic HJAARN Cc1ccc([C@@]2(CCNS(=O)(=O)c3ccc(C)cc3)CCO[C@@H](C(C)C)C2)cc1 ZINC000002237263 569322174 /nfs/dbraw/zinc/32/21/74/569322174.db2.gz IDNUCAKYMLCODK-RPWUZVMVSA-N 0 0 415.599 4.745 50 0 HJAARN CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)c(COc2ccccn2)c1 ZINC000002244418 569323816 /nfs/dbraw/zinc/32/38/16/569323816.db2.gz WZCLAIOROSNKBI-HSZRJFAPSA-N 0 0 403.482 4.646 50 0 HJAARN Cc1nc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(F)cc2)sc1C ZINC000002251121 569323955 /nfs/dbraw/zinc/32/39/55/569323955.db2.gz SYPFIQLWSAWNAF-SFHVURJKSA-N 0 0 406.438 4.755 50 0 HJAARN COc1ccc(C(=O)Nc2nc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)cc1 ZINC000002247195 569324364 /nfs/dbraw/zinc/32/43/64/569324364.db2.gz XWAUUQHVWDJCDD-UHFFFAOYSA-N 0 0 421.460 4.719 50 0 HJAARN C[C@H](NC(=O)C(Cc1ccccc1)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 ZINC000002258858 569325005 /nfs/dbraw/zinc/32/50/05/569325005.db2.gz ZJWXXRKVVWUDSC-PMACEKPBSA-N 0 0 400.522 4.600 50 0 HJAARN CCCCCn1c(N)c(C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3nc21 ZINC000002254086 569326129 /nfs/dbraw/zinc/32/61/29/569326129.db2.gz RCCLEGRGORQJAX-UHFFFAOYSA-N 0 0 421.932 4.940 50 0 HJAARN CCCCCCOC(=O)c1ccc(N[C@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 ZINC000002271318 569327060 /nfs/dbraw/zinc/32/70/60/569327060.db2.gz CONREPWKWWRCCM-NRFANRHFSA-N 0 0 413.470 4.722 50 0 HJAARN C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1cccc(Br)c1 ZINC000007922141 569327226 /nfs/dbraw/zinc/32/72/26/569327226.db2.gz DUZJNFUWUFTQLF-GFCCVEGCSA-N 0 0 404.333 4.690 50 0 HJAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CN(C)Cc2ccsc2)cc1 ZINC000007926932 569327455 /nfs/dbraw/zinc/32/74/55/569327455.db2.gz MMWNYHHUFWJEJH-QHCPKHFHSA-N 0 0 419.550 4.566 50 0 HJAARN CC(=O)c1sc2ccccc2c1OC(=O)c1ccccc1I ZINC000002281996 569364098 /nfs/dbraw/zinc/36/40/98/569364098.db2.gz HVKXKGZTUFBSNQ-UHFFFAOYSA-N 0 0 422.243 4.928 50 0 HJAARN c1coc(-c2nc3sc4c(ncnc4NC[C@H]4CCCO4)c3c3c2CCCC3)c1 ZINC000002282846 569364269 /nfs/dbraw/zinc/36/42/69/569364269.db2.gz HMSPLHJLDJASAW-CYBMUJFWSA-N 0 0 406.511 4.969 50 0 HJAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000257357016 569364477 /nfs/dbraw/zinc/36/44/77/569364477.db2.gz LOJPGRHPJBGMMF-IOKYFDIFSA-N 0 0 404.591 4.775 50 0 HJAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]21C ZINC000257357015 569364492 /nfs/dbraw/zinc/36/44/92/569364492.db2.gz LOJPGRHPJBGMMF-HRUJDLHYSA-N 0 0 404.591 4.775 50 0 HJAARN CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)c2c(F)cc(C(F)(F)F)cc2F)C1 ZINC000253419559 569367822 /nfs/dbraw/zinc/36/78/22/569367822.db2.gz PLLVHUDTIZZOFO-RYUDHWBXSA-N 0 0 422.394 4.549 50 0 HJAARN CCOc1ccc([C@@H](NC(=O)c2ccccc2OC)c2ccc(OC)c(OC)c2)cc1 ZINC000002291593 569369135 /nfs/dbraw/zinc/36/91/35/569369135.db2.gz QFTDZKAGRXAOOW-XMMPIXPASA-N 0 0 421.493 4.631 50 0 HJAARN COc1ccc2cc(C3=NN(C(C)=O)[C@@H](c4ccc(OC)c(OC)c4)C3)ccc2c1 ZINC000253430905 569369722 /nfs/dbraw/zinc/36/97/22/569369722.db2.gz YHHQTOGQHCLPPP-JOCHJYFZSA-N 0 0 404.466 4.563 50 0 HJAARN COc1ccc(-c2nnc(SCc3cccc(N)n3)n2-c2ccc(Cl)cc2)cc1 ZINC000253432715 569369996 /nfs/dbraw/zinc/36/99/96/569369996.db2.gz MZNYABSJSGUAHM-UHFFFAOYSA-N 0 0 423.929 4.866 50 0 HJAARN O=C(COC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)c1ccc(Br)cc1 ZINC000002316982 569373165 /nfs/dbraw/zinc/37/31/65/569373165.db2.gz GMXNVHGAELXEFW-UHFFFAOYSA-N 0 0 421.246 4.700 50 0 HJAARN CCOP(=O)(OCC)[C@@H](NC(=O)c1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000002311295 569373899 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CC(=O)c1cccc(OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)c1 ZINC000010278752 571299197 /nfs/dbraw/zinc/29/91/97/571299197.db2.gz REUWAJXXQIQBML-GOSISDBHSA-N 0 0 410.520 4.769 50 0 HJAARN Cc1ccc(NC(=O)CSc2ncnc3c(-c4ccc(F)cc4)c[nH]c32)cc1F ZINC000071769105 571300041 /nfs/dbraw/zinc/30/00/41/571300041.db2.gz BFLCGYJFFXXWNP-UHFFFAOYSA-N 0 0 410.449 4.942 50 0 HJAARN COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)Nc2cc(C)ccn2)cc1OC ZINC000010430678 571302458 /nfs/dbraw/zinc/30/24/58/571302458.db2.gz TWHBJWGRZCXQTA-UHFFFAOYSA-N 0 0 414.465 4.512 50 0 HJAARN CCc1ccc([C@@H](NC(=O)c2cc(S(C)(=O)=O)ccc2C)c2cccs2)cc1 ZINC000010447581 571303056 /nfs/dbraw/zinc/30/30/56/571303056.db2.gz ONCUCAILEKWQFH-OAQYLSRUSA-N 0 0 413.564 4.542 50 0 HJAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)c(F)c3)C2)c2ccccc12 ZINC000010492444 571303737 /nfs/dbraw/zinc/30/37/37/571303737.db2.gz XSXXRLDIUSXEBR-OAHLLOKOSA-N 0 0 424.447 4.618 50 0 HJAARN O=C(Nc1ccc(F)cc1)O[C@H]1CCC[C@H](NC(=O)c2cc(-c3ccccc3)on2)C1 ZINC000077200356 571312934 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C[C@H](Oc1ccc2oc3ccccc3c2c1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000006831991 132318340 /nfs/dbraw/zinc/31/83/40/132318340.db2.gz NEDFJRPMHZKSJC-KRWDZBQOSA-N 0 0 416.477 4.829 50 0 HJAARN CC[C@@H]1CN(C(=O)N2CCC(C(=O)Nc3cccc(C)c3C)CC2)c2ccccc2O1 ZINC000006846147 132319072 /nfs/dbraw/zinc/31/90/72/132319072.db2.gz IKUGWWDTGBMLOM-HXUWFJFHSA-N 0 0 421.541 4.752 50 0 HJAARN CC[C@@H]1CN(C(=O)N2CCC(C(=O)Nc3cc(C)ccc3C)CC2)c2ccccc2O1 ZINC000006846369 132319206 /nfs/dbraw/zinc/31/92/06/132319206.db2.gz HDVHDHBGORVCGB-HXUWFJFHSA-N 0 0 421.541 4.752 50 0 HJAARN Cc1cc(C)c(NC(=O)CN2c3ccccc3S(=O)(=O)c3ccccc32)c(C)c1 ZINC000006915117 132320572 /nfs/dbraw/zinc/32/05/72/132320572.db2.gz JJPLOQDIIWFSFF-UHFFFAOYSA-N 0 0 406.507 4.535 50 0 HJAARN Cc1c(C(=O)Nc2c(F)cccc2F)sc2nc(C)nc(N3CCCCC3)c12 ZINC000006948005 132321645 /nfs/dbraw/zinc/32/16/45/132321645.db2.gz AIJQATOLRGRAJL-UHFFFAOYSA-N 0 0 402.470 4.829 50 0 HJAARN Cc1ccc(N2C(=O)N(Cc3ccccc3F)c3ccccc3S2(=O)=O)c(C)c1 ZINC000007615993 132325171 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Cc1cc(NC(=O)CSCc2coc(-c3ccccc3)n2)n(Cc2ccccc2)n1 ZINC000044471157 525156609 /nfs/dbraw/zinc/15/66/09/525156609.db2.gz XXJLTWUDRGCXFG-UHFFFAOYSA-N 0 0 418.522 4.767 50 0 HJAARN Cc1ccc(OCC(=O)Nc2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)cc1 ZINC000032623184 525393984 /nfs/dbraw/zinc/39/39/84/525393984.db2.gz UVHWFAUEKVYGLF-UHFFFAOYSA-N 0 0 403.413 4.869 50 0 HJAARN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)nn1 ZINC000077099919 525532365 /nfs/dbraw/zinc/53/23/65/525532365.db2.gz ZAUKEQYLGLGUMQ-LJQANCHMSA-N 0 0 412.537 4.527 50 0 HJAARN Cc1cc2c(ccnc2N2CCC[C@@H](C(=O)NCc3ccc(F)cc3Cl)C2)s1 ZINC000033299653 525620155 /nfs/dbraw/zinc/62/01/55/525620155.db2.gz NTBLRRDNRXFPPZ-OAHLLOKOSA-N 0 0 417.937 4.930 50 0 HJAARN Cc1ccc(Sc2cc3c(cc2NC(=O)c2ccccc2)n(C)c(=O)n3C)cc1 ZINC000045940922 525671269 /nfs/dbraw/zinc/67/12/69/525671269.db2.gz SMIQUXRCKMKPJA-UHFFFAOYSA-N 0 0 403.507 4.589 50 0 HJAARN Cc1cc2nc(CSc3ccccc3NC(=O)Nc3ccccc3C)cc(=O)n2o1 ZINC000041089684 525675944 /nfs/dbraw/zinc/67/59/44/525675944.db2.gz PFMWDLRVTZBHOL-UHFFFAOYSA-N 0 0 420.494 4.841 50 0 HJAARN C[C@H](Nc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c21)c1nncn1C ZINC000032934485 525677659 /nfs/dbraw/zinc/67/76/59/525677659.db2.gz YHMWPYJTMIXXPV-AWEZNQCLSA-N 0 0 413.510 4.722 50 0 HJAARN Cc1cc2occ(CC(=O)NCc3ccccc3Cn3ccnc3)c2cc1C(C)C ZINC000032860007 525696483 /nfs/dbraw/zinc/69/64/83/525696483.db2.gz UCXSUQCDSZNSHF-UHFFFAOYSA-N 0 0 401.510 4.968 50 0 HJAARN Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCCC3)no2)cc1 ZINC000032593948 525724174 /nfs/dbraw/zinc/72/41/74/525724174.db2.gz DPUBMZMXRGODFD-OAQYLSRUSA-N 0 0 409.917 4.870 50 0 HJAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCc4cccs4)cc3n2)cc1 ZINC000019925466 525731358 /nfs/dbraw/zinc/73/13/58/525731358.db2.gz PJELXCILGSNXLU-UHFFFAOYSA-N 0 0 416.428 4.715 50 0 HJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)[C@@H](C)n2ccnc2)cc1C ZINC000044952569 525840619 /nfs/dbraw/zinc/84/06/19/525840619.db2.gz PKPSVAMFLSGJIO-HXUWFJFHSA-N 0 0 413.525 4.572 50 0 HJAARN Cc1ccc(-c2nnc(CSc3nc4sc5c(c4c(N)n3)CCCC5)o2)cc1 ZINC000031612995 525844766 /nfs/dbraw/zinc/84/47/66/525844766.db2.gz YOUIOJKAMYQPOS-UHFFFAOYSA-N 0 0 409.540 4.803 50 0 HJAARN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1cnc(Cl)c(Cl)c1 ZINC000032909698 525861974 /nfs/dbraw/zinc/86/19/74/525861974.db2.gz XXRFXBIOBWYMIE-UHFFFAOYSA-N 0 0 416.312 4.934 50 0 HJAARN Cc1ccc(-c2noc(-c3ccc(OCC(=O)N[C@H](C)c4ccccc4)cc3)n2)cc1 ZINC000032578772 525869015 /nfs/dbraw/zinc/86/90/15/525869015.db2.gz MHOGXRZTCQGAEJ-GOSISDBHSA-N 0 0 413.477 4.968 50 0 HJAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCCCC[C@@H]1c1cccn1C ZINC000032841742 525917599 /nfs/dbraw/zinc/91/75/99/525917599.db2.gz OISQYVMLYYYLOF-DNVCBOLYSA-N 0 0 405.336 4.699 50 0 HJAARN C[C@H](Oc1ccc(Br)cc1Br)C(=O)Nc1ccc(F)cc1 ZINC000000682895 525925079 /nfs/dbraw/zinc/92/50/79/525925079.db2.gz GDDMFGJMPGEBRD-VIFPVBQESA-N 0 0 417.072 4.757 50 0 HJAARN C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCCCC[C@@H]1c1cccn1C ZINC000032841743 525925844 /nfs/dbraw/zinc/92/58/44/525925844.db2.gz OISQYVMLYYYLOF-HNAYVOBHSA-N 0 0 405.336 4.699 50 0 HJAARN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000040056877 526030232 /nfs/dbraw/zinc/03/02/32/526030232.db2.gz JQNGDCQHNQQKFK-HYSAVQALSA-N 0 0 416.521 4.904 50 0 HJAARN COc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(C)cc2)c1 ZINC000019823954 526180391 /nfs/dbraw/zinc/18/03/91/526180391.db2.gz ACAMFVRZDISRQS-UHFFFAOYSA-N 0 0 420.494 4.575 50 0 HJAARN COc1cccc(NC(=O)NCCn2c3ccccc3nc2-c2ccc(F)cc2)c1 ZINC000032950653 526191548 /nfs/dbraw/zinc/19/15/48/526191548.db2.gz RWWYBVIPZNAPRP-UHFFFAOYSA-N 0 0 404.445 4.673 50 0 HJAARN Cc1ccc2c(c1)[C@](C)(c1ccccc1)CC(C)(C)N2C(=O)CSc1nncn1C ZINC000000856726 526213654 /nfs/dbraw/zinc/21/36/54/526213654.db2.gz OLIDMKUEVZBBNP-DEOSSOPVSA-N 0 0 420.582 4.737 50 0 HJAARN CSc1nccc(N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)n1 ZINC000020031226 526222596 /nfs/dbraw/zinc/22/25/96/526222596.db2.gz ZGSSHGJLQVNDHP-NRFANRHFSA-N 0 0 410.974 4.764 50 0 HJAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCCCc1nc2ccccc2s1 ZINC000032843513 526295869 /nfs/dbraw/zinc/29/58/69/526295869.db2.gz RVPOFOAPHCZTFV-UHFFFAOYSA-N 0 0 424.957 4.866 50 0 HJAARN Cc1nn2c(ncc3c(=O)n(-c4ccc(Cl)cc4)ccc32)c1-c1ccc(F)cc1 ZINC000019821315 526312879 /nfs/dbraw/zinc/31/28/79/526312879.db2.gz FSLRTUWOFKLSBF-UHFFFAOYSA-N 0 0 404.832 4.801 50 0 HJAARN Cc1nn2c(ncc3c2ccn(CCc2c[nH]c4ccccc24)c3=O)c1-c1ccccc1 ZINC000040396291 526313426 /nfs/dbraw/zinc/31/34/26/526313426.db2.gz XJKZXEDIBDLUAD-UHFFFAOYSA-N 0 0 419.488 4.744 50 0 HJAARN Fc1ccccc1CN1CCCN(c2ncnc3onc(-c4ccc(Cl)cc4)c32)C1 ZINC000020575086 526410434 /nfs/dbraw/zinc/41/04/34/526410434.db2.gz BCXGEOFHIFFFFC-UHFFFAOYSA-N 0 0 423.879 4.747 50 0 HJAARN O=C([C@@H](Sc1nc2ccccc2c(=O)n1C1CC1)c1ccccc1)N1CCCCC1 ZINC000007861762 526453092 /nfs/dbraw/zinc/45/30/92/526453092.db2.gz KVUKWMQRNLHKKS-NRFANRHFSA-N 0 0 419.550 4.577 50 0 HJAARN Cc1nc(-c2ccccc2)sc1C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000032740778 526602368 /nfs/dbraw/zinc/60/23/68/526602368.db2.gz BUUXQLOYOKRVCN-GOSISDBHSA-N 0 0 406.507 4.867 50 0 HJAARN O=C(c1cc2cccc(Br)c2o1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000032637372 526638174 /nfs/dbraw/zinc/63/81/74/526638174.db2.gz NLORZLIMVZYCFZ-QGZVFWFLSA-N 0 0 404.235 4.548 50 0 HJAARN O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000032759867 526646688 /nfs/dbraw/zinc/64/66/88/526646688.db2.gz MLPXYGQPHHVCLT-HXUWFJFHSA-N 0 0 408.885 4.521 50 0 HJAARN O=C(CCc1nnc(-c2ccsc2)o1)NCc1cccc(Oc2ccccc2)c1 ZINC000032362667 526662342 /nfs/dbraw/zinc/66/23/42/526662342.db2.gz DRIQSHQRYCMWNQ-UHFFFAOYSA-N 0 0 405.479 4.839 50 0 HJAARN O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000032753800 526676719 /nfs/dbraw/zinc/67/67/19/526676719.db2.gz HXUOTUXYUKJKOG-UHFFFAOYSA-N 0 0 420.896 4.731 50 0 HJAARN O=C(NCc1cccc(Oc2ccccc2)c1)c1ccc(CN2CCCC2=O)cc1 ZINC000032362312 526724588 /nfs/dbraw/zinc/72/45/88/526724588.db2.gz ZTFJYZHGKAPFMF-UHFFFAOYSA-N 0 0 400.478 4.531 50 0 HJAARN O=C(CN1CCC[C@@H](COCc2ccccc2)C1)Nc1ccccc1C(F)(F)F ZINC000056908443 526749511 /nfs/dbraw/zinc/74/95/11/526749511.db2.gz GTEBYFPFRNCTFQ-GOSISDBHSA-N 0 0 406.448 4.573 50 0 HJAARN O=C(NCc1ccco1)c1ccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000064687909 526780233 /nfs/dbraw/zinc/78/02/33/526780233.db2.gz OYIWKLSELYZJSL-UHFFFAOYSA-N 0 0 423.900 4.695 50 0 HJAARN O=C(CN1CCN(c2cc(-c3ccccc3)c3ccccc3n2)CC1)Nc1ccccc1 ZINC000032906780 526780430 /nfs/dbraw/zinc/78/04/30/526780430.db2.gz BHBYXJUOVBKNRH-UHFFFAOYSA-N 0 0 422.532 4.663 50 0 HJAARN Cc1sc(NC(=O)c2ccnc(N(C)C)c2)nc1-c1ccc(Br)cc1 ZINC000032913078 526884456 /nfs/dbraw/zinc/88/44/56/526884456.db2.gz VTMXXQWXQWKLBW-UHFFFAOYSA-N 0 0 417.332 4.594 50 0 HJAARN Cc1sc2ncnc(Nc3cccc(Cl)c3)c2c1S(=O)(=O)N1CCCCC1 ZINC000032961412 526902480 /nfs/dbraw/zinc/90/24/80/526902480.db2.gz ZMZHLRVTIBKTOH-UHFFFAOYSA-N 0 0 422.963 4.571 50 0 HJAARN Cn1c(CCc2ccc(NC(=O)COc3ccc(F)cc3)cc2)nc2ccccc21 ZINC000032960898 527051132 /nfs/dbraw/zinc/05/11/32/527051132.db2.gz VBXLHIRBGFDRLM-UHFFFAOYSA-N 0 0 403.457 4.515 50 0 HJAARN O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CCCCN1Cc1ccc(Cl)s1 ZINC000020538493 527147058 /nfs/dbraw/zinc/14/70/58/527147058.db2.gz FZTRROXWFXGLRP-GOSISDBHSA-N 0 0 400.935 4.580 50 0 HJAARN O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2c(c1)NCCS2 ZINC000032943836 527248934 /nfs/dbraw/zinc/24/89/34/527248934.db2.gz CCJZLZNRLILAAY-UHFFFAOYSA-N 0 0 408.854 4.677 50 0 HJAARN Cn1ccnc1SC[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253498748 527449796 /nfs/dbraw/zinc/44/97/96/527449796.db2.gz PGSWBIZOBGMFIQ-IOIXJJKASA-N 0 0 416.631 4.567 50 0 biogenic HJAARN Cn1ccnc1Sc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)cc1 ZINC000032769247 527450491 /nfs/dbraw/zinc/45/04/91/527450491.db2.gz VKOJQVZTVHGUSB-UHFFFAOYSA-N 0 0 415.522 4.887 50 0 HJAARN O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1ccc(Br)cc1 ZINC000001184190 527462497 /nfs/dbraw/zinc/46/24/97/527462497.db2.gz NWKVJUKQNRPIAY-UHFFFAOYSA-N 0 0 418.341 4.699 50 0 HJAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCC(=O)N[C@H](C)c3ccccc3)cc(C)c12 ZINC000045990849 527524157 /nfs/dbraw/zinc/52/41/57/527524157.db2.gz WHIRYMDPJFDWEJ-GOSISDBHSA-N 0 0 414.509 4.602 50 0 HJAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCC(=O)Nc3cccc(C)c3C)cc(C)c12 ZINC000045990797 527524321 /nfs/dbraw/zinc/52/43/21/527524321.db2.gz HHRHEFWAPOIEJF-UHFFFAOYSA-N 0 0 414.509 4.980 50 0 HJAARN Cc1nn(-c2cccc(F)c2)c2nc(OCC(=O)Nc3ccccc3Cl)cc(C)c12 ZINC000045990935 527537644 /nfs/dbraw/zinc/53/76/44/527537644.db2.gz YKQRTULWXVTWAV-UHFFFAOYSA-N 0 0 424.863 4.847 50 0 HJAARN Cc1nn(C)c(C)c1/C=C1/C[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@H]1O ZINC000253534516 527603332 /nfs/dbraw/zinc/60/33/32/527603332.db2.gz IFDSJTUAVYQLDO-RGXJISLMSA-N 0 0 412.618 4.795 50 0 HJAARN Cc1nn(C)c2nc(O[C@@H](C)C(=O)Nc3cc(C)ccc3C)cc(-c3ccccc3)c12 ZINC000045992032 527684192 /nfs/dbraw/zinc/68/41/92/527684192.db2.gz DUYSTBKMBPBQIM-SFHVURJKSA-N 0 0 414.509 4.967 50 0 HJAARN CCCCc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1 ZINC000011613420 535093668 /nfs/dbraw/zinc/09/36/68/535093668.db2.gz SCZHNBXPZNVXJZ-UHFFFAOYSA-N 0 0 404.518 4.538 50 0 HJAARN CC(C)(C)c1ccccc1NC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 ZINC000012195063 535128643 /nfs/dbraw/zinc/12/86/43/535128643.db2.gz YGOSAIMCOMLHRU-UHFFFAOYSA-N 0 0 420.962 4.820 50 0 HJAARN CC1CCN(c2ccc(NC(=O)COCc3cc(-c4cccs4)on3)cc2)CC1 ZINC000006876606 535286111 /nfs/dbraw/zinc/28/61/11/535286111.db2.gz BAUPQCFCXCMNJW-UHFFFAOYSA-N 0 0 411.527 4.795 50 0 HJAARN CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N3CCCCC3)c2c1 ZINC000012437854 535445707 /nfs/dbraw/zinc/44/57/07/535445707.db2.gz DBIMXIREDGZILL-UHFFFAOYSA-N 0 0 410.539 4.765 50 0 HJAARN CN1CCN(c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2Cl)CC1 ZINC000004811077 536422680 /nfs/dbraw/zinc/42/26/80/536422680.db2.gz HTQGTJJXAZARDR-UHFFFAOYSA-N 0 0 419.956 4.862 50 0 HJAARN COc1cc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc(OC)c1OC ZINC000004810987 536532299 /nfs/dbraw/zinc/53/22/99/536532299.db2.gz DNLICWCLYMTDIQ-UHFFFAOYSA-N 0 0 418.921 4.854 50 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COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(C)cc2)[C@@H]1c1ccccc1 ZINC000034927779 557485761 /nfs/dbraw/zinc/48/57/61/557485761.db2.gz NBNVJNBQMQUUQE-RPWUZVMVSA-N 0 0 414.505 4.561 50 0 HJAARN CCOC(=O)c1cc(CCC(C)C)n(-c2ccc(C(=O)N[C@@H](C)C(C)(C)C)cc2)n1 ZINC000022642141 557488665 /nfs/dbraw/zinc/48/86/65/557488665.db2.gz XACAOLXXXPGGGL-KRWDZBQOSA-N 0 0 413.562 4.802 50 0 HJAARN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c1 ZINC000003611769 557494480 /nfs/dbraw/zinc/49/44/80/557494480.db2.gz QWKFICCPHKSMNV-UHFFFAOYSA-N 0 0 415.522 4.677 50 0 HJAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1ccc(OC)cc1 ZINC000004043280 557507430 /nfs/dbraw/zinc/50/74/30/557507430.db2.gz OYPCMLJHAKWYBM-UHFFFAOYSA-N 0 0 411.479 4.861 50 0 HJAARN COc1ccc([C@H]2Cc3[nH]c(C(=O)O[C@H]4CCC[C@H]4C)c(C)c3C(=O)C2)cc1OC ZINC000004148943 557520577 /nfs/dbraw/zinc/52/05/77/557520577.db2.gz UCKFFBVDVCNULF-AZOIQLNYSA-N 0 0 411.498 4.598 50 0 HJAARN O=C(NCC12CC3CC(C1)CC(CNC(=O)c1cccs1)(C3)C2)c1cccs1 ZINC000004174456 557524426 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NMMJFVQAZXSAKR-UHFFFAOYSA-N 0 0 419.959 4.912 50 0 HJAARN COc1ccc([C@@H]2CC(=O)c3c(C)nc(Nc4ccc(F)cc4)nc3C2)cc1OC ZINC000010156659 557856089 /nfs/dbraw/zinc/85/60/89/557856089.db2.gz HOOLKODHBREFHZ-HNNXBMFYSA-N 0 0 407.445 4.598 50 0 HJAARN CC(C)n1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1ccco1 ZINC000010226611 557857228 /nfs/dbraw/zinc/85/72/28/557857228.db2.gz AOKFKDJNFITRRA-UHFFFAOYSA-N 0 0 410.421 4.869 50 0 HJAARN COc1cc(CN[C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)c(Cl)cc1O ZINC000019731143 558259569 /nfs/dbraw/zinc/25/95/69/558259569.db2.gz QHZBGEUQJRQPGH-NSHDSACASA-N 0 0 407.848 4.677 50 0 HJAARN CN(Cc1nc2ccccc2n1CCOc1ccccc1Cl)C(=O)c1ccco1 ZINC000011667125 558268874 /nfs/dbraw/zinc/26/88/74/558268874.db2.gz FZCVECKCICHNQM-UHFFFAOYSA-N 0 0 409.873 4.634 50 0 HJAARN Cc1ccc(OCCn2c3ccccc3nc2[C@@H](C)NC(=O)c2ccco2)cc1C ZINC000011667255 558269347 /nfs/dbraw/zinc/26/93/47/558269347.db2.gz LWICLUCCVHHMBJ-GOSISDBHSA-N 0 0 403.482 4.816 50 0 HJAARN Cc1cccnc1-c1cccc2c1O[C@H](CNC(=O)CCc1ccccc1Cl)C2 ZINC000011790498 558277509 /nfs/dbraw/zinc/27/75/09/558277509.db2.gz PTWVLFKRKPTUIQ-IBGZPJMESA-N 0 0 406.913 4.763 50 0 HJAARN Cc1cc(C(=O)N2CCC[C@@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)nc(C)n1 ZINC000011817936 558281156 /nfs/dbraw/zinc/28/11/56/558281156.db2.gz BPMCTNXNSOAGAN-HXUWFJFHSA-N 0 0 415.493 4.621 50 0 HJAARN Cc1ccc(C2(c3noc(CN4CCCC[C@@H]4c4nccn4C)n3)CCCC2)cc1 ZINC000011820449 558283888 /nfs/dbraw/zinc/28/38/88/558283888.db2.gz GFBWRLZBLKQUJC-HXUWFJFHSA-N 0 0 405.546 4.699 50 0 HJAARN Cc1ccc2nc(OCc3ccccc3C)c(CN(C)Cc3cnn(C)c3)cc2c1 ZINC000011839748 558286223 /nfs/dbraw/zinc/28/62/23/558286223.db2.gz HKXAXUPZEBNIKQ-UHFFFAOYSA-N 0 0 400.526 4.796 50 0 HJAARN COc1ccc(NC(=O)CC[C@H]2CCCN(Cc3csc(C(C)=O)c3)C2)c(C)c1 ZINC000011843293 558288116 /nfs/dbraw/zinc/28/81/16/558288116.db2.gz LIGPIGKMHAGGFC-GOSISDBHSA-N 0 0 414.571 4.899 50 0 HJAARN COc1ccccc1CCC(=O)N1CCC[C@H](C(=O)c2cccc(OC(C)C)c2)C1 ZINC000011843592 558288516 /nfs/dbraw/zinc/28/85/16/558288516.db2.gz BJLBJUPXRDTFIU-NRFANRHFSA-N 0 0 409.526 4.537 50 0 HJAARN Cc1nc(-c2cccs2)c(CCC(=O)Nc2ccccc2N2CCOCC2)s1 ZINC000019819536 558289906 /nfs/dbraw/zinc/28/99/06/558289906.db2.gz VRKXNKIEMTZOJQ-UHFFFAOYSA-N 0 0 413.568 4.588 50 0 HJAARN O=C(c1ccc2c(c1)OCO2)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000011933521 558298185 /nfs/dbraw/zinc/29/81/85/558298185.db2.gz JKPQFBZWDFPFIB-XMMPIXPASA-N 0 0 414.436 4.824 50 0 HJAARN Cn1c2ccc(Cl)cc2c(-c2ccc(Cl)cc2)c1C(=O)N1CCN(C)CC1 ZINC000019894331 558303497 /nfs/dbraw/zinc/30/34/97/558303497.db2.gz FSEUEPQVTKTUDO-UHFFFAOYSA-N 0 0 402.325 4.540 50 0 HJAARN Cc1c2cc(C)ccc2oc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000019901883 558305271 /nfs/dbraw/zinc/30/52/71/558305271.db2.gz CYEMAOIVPLAFQE-FQEVSTJZSA-N 0 0 412.917 4.506 50 0 HJAARN O=C(Cc1ccsc1)N1CCc2ccc(NC(=O)c3ccccc3Cl)cc2C1 ZINC000012002095 558308435 /nfs/dbraw/zinc/30/84/35/558308435.db2.gz MYYNQOKPURZOLR-UHFFFAOYSA-N 0 0 410.926 4.781 50 0 HJAARN C[C@H](Oc1ccccc1F)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019938362 558312949 /nfs/dbraw/zinc/31/29/49/558312949.db2.gz SEULJEZGONHHKG-FQEVSTJZSA-N 0 0 418.512 4.527 50 0 HJAARN CSc1ccc(NC(=O)[C@@H]2CC23CCN(C(=O)CC2CCCCC2)CC3)cc1 ZINC000012055335 558315597 /nfs/dbraw/zinc/31/55/97/558315597.db2.gz AZDAKDGHTSLGGF-FQEVSTJZSA-N 0 0 400.588 4.946 50 0 HJAARN COc1ccc(-n2ccc3c(cnc4c(-c5cccc(Cl)c5)c(C)nn43)c2=O)cc1 ZINC000019962556 558316054 /nfs/dbraw/zinc/31/60/54/558316054.db2.gz UZQROJMZKRSZHS-UHFFFAOYSA-N 0 0 416.868 4.671 50 0 HJAARN O=C(c1cccc(-c2ccccc2F)c1)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000012072793 558318048 /nfs/dbraw/zinc/31/80/48/558318048.db2.gz ZAEHXRWFUDBMTO-AREMUKBSSA-N 0 0 403.497 4.950 50 0 HJAARN c1nc2c(sc3nc(N4CCCCC4)c4c(c32)CCCC4)c(NC[C@@H]2CCCO2)n1 ZINC000020029631 558323907 /nfs/dbraw/zinc/32/39/07/558323907.db2.gz PBAYHWRPNWRWSL-HNNXBMFYSA-N 0 0 423.586 4.700 50 0 HJAARN Cc1ccccc1[C@@H]1CCCN(C(=O)CC[C@@]2(Cc3ccc(F)cc3)CCC(=O)N2)C1 ZINC000012099536 558325887 /nfs/dbraw/zinc/32/58/87/558325887.db2.gz SXTFGBHGMJTWHX-QFQXNSOFSA-N 0 0 422.544 4.512 50 0 HJAARN Cc1nc(NCc2cccs2)sc1-c1ccn(C[C@@H]2COc3ccccc3O2)n1 ZINC000012121757 558330790 /nfs/dbraw/zinc/33/07/90/558330790.db2.gz UXSZWZBVIDFJAY-OAHLLOKOSA-N 0 0 424.551 4.829 50 0 HJAARN Cc1nc(NCc2cccs2)sc1-c1ccn(C[C@H]2COc3ccccc3O2)n1 ZINC000012121763 558330833 /nfs/dbraw/zinc/33/08/33/558330833.db2.gz UXSZWZBVIDFJAY-HNNXBMFYSA-N 0 0 424.551 4.829 50 0 HJAARN COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2O[C@H]3c2ccc(OC)cc2)cc1 ZINC000012124307 558330999 /nfs/dbraw/zinc/33/09/99/558330999.db2.gz LKCCESQZLITANT-NOZRDPDXSA-N 0 0 416.477 4.955 50 0 HJAARN COc1ccc([C@H]2CC(=O)c3c(C)nc(Nc4cccc(C)c4)nc3C2)c(OC)c1 ZINC000020101646 558332027 /nfs/dbraw/zinc/33/20/27/558332027.db2.gz ICENOVZLPDCXPD-MRXNPFEDSA-N 0 0 403.482 4.767 50 0 HJAARN O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc(-c2ccccc2)cc1 ZINC000012136943 558334004 /nfs/dbraw/zinc/33/40/04/558334004.db2.gz JBTDVYNAOSKZSD-NRFANRHFSA-N 0 0 400.478 4.515 50 0 HJAARN Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000012137233 558334179 /nfs/dbraw/zinc/33/41/79/558334179.db2.gz PNPKYJGGZPNPAX-RBUKOAKNSA-N 0 0 402.494 4.892 50 0 HJAARN Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1ccc(OCc2ccccc2Cl)cc1 ZINC000020119967 558337056 /nfs/dbraw/zinc/33/70/56/558337056.db2.gz JDQCKUXMFCFIQO-UHFFFAOYSA-N 0 0 424.888 4.573 50 0 HJAARN Cc1ccccc1-c1c[nH]nc1[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3)c2)C1 ZINC000012150886 558339022 /nfs/dbraw/zinc/33/90/22/558339022.db2.gz KSOAPYBACRNYQR-LJQANCHMSA-N 0 0 411.509 4.591 50 0 HJAARN CSc1ccc(NC(=O)[C@@H]2CC23CCN(C(=O)/C=C/c2ccccc2)CC3)cc1 ZINC000012166212 558342585 /nfs/dbraw/zinc/34/25/85/558342585.db2.gz HKDZXDLASDEGLS-SQEWALACSA-N 0 0 406.551 4.689 50 0 HJAARN CSCc1ccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2c2ccccn2)o1 ZINC000012207237 558353340 /nfs/dbraw/zinc/35/33/40/558353340.db2.gz AOJZSOMENBHLQC-JOCHJYFZSA-N 0 0 403.507 4.807 50 0 HJAARN CN1CCc2c(sc3nc(SCc4c(Cl)cccc4Cl)nc(N)c23)C1 ZINC000020290085 558353941 /nfs/dbraw/zinc/35/39/41/558353941.db2.gz OFZFYMBDLKMFOA-UHFFFAOYSA-N 0 0 411.383 4.861 50 0 HJAARN Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(C)c1 ZINC000020357046 558357676 /nfs/dbraw/zinc/35/76/76/558357676.db2.gz ZPIZHYDQYGHXIZ-UHFFFAOYSA-N 0 0 411.552 4.913 50 0 HJAARN COc1cccc(NC(=O)CCC2CCN(C(=O)c3cc4ccccc4cn3)CC2)c1 ZINC000012297522 558367671 /nfs/dbraw/zinc/36/76/71/558367671.db2.gz NWMACXFGCSXKEN-UHFFFAOYSA-N 0 0 417.509 4.515 50 0 HJAARN CN(Cc1ccccc1)C(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1 ZINC000012300529 558370400 /nfs/dbraw/zinc/37/04/00/558370400.db2.gz UQIAWHCUPIZHJN-UHFFFAOYSA-N 0 0 409.917 4.784 50 0 HJAARN COc1cc(Cl)c(CN[C@@H](C)c2cnn(-c3cccc(F)c3)c2C)cc1OC ZINC000012301534 558371110 /nfs/dbraw/zinc/37/11/10/558371110.db2.gz UVPMYYAWRMIFHU-ZDUSSCGKSA-N 0 0 403.885 4.841 50 0 HJAARN COc1ccc2cc(C(=O)N3CCC[C@H](C(=O)c4ccccc4SC)C3)n(C)c2c1 ZINC000012304158 558373359 /nfs/dbraw/zinc/37/33/59/558373359.db2.gz HMQZSJOPFBVBLA-KRWDZBQOSA-N 0 0 422.550 4.644 50 0 HJAARN O=C(c1cc2c(s1)CCCCC2)N1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000012305295 558374419 /nfs/dbraw/zinc/37/44/19/558374419.db2.gz GVALRMXAJSPEEP-SFHVURJKSA-N 0 0 412.555 4.505 50 0 HJAARN O=C(Nc1ccc2c(c1)CCC2)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000020494107 558379506 /nfs/dbraw/zinc/37/95/06/558379506.db2.gz YVNLAIQFSMZNHS-UHFFFAOYSA-N 0 0 404.341 4.832 50 0 HJAARN COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2c1c(=O)[nH]c(=S)n2C1CC1 ZINC000020608036 558388693 /nfs/dbraw/zinc/38/86/93/558388693.db2.gz CVRAZVAPMDFAFK-UHFFFAOYSA-N 0 0 422.293 4.549 50 0 HJAARN CC(=O)c1sc(N(C[C@@H]2CCCO2)C(=O)CCc2ccc(C(C)C)cc2)nc1C ZINC000020607971 558388725 /nfs/dbraw/zinc/38/87/25/558388725.db2.gz JDIUXRMYKHJVRX-FQEVSTJZSA-N 0 0 414.571 4.922 50 0 HJAARN O=C(c1cc(COc2ccc3c(c2)CCCC3)on1)N1CCCC[C@@H]1c1cccnc1 ZINC000012373415 558390741 /nfs/dbraw/zinc/39/07/41/558390741.db2.gz KOUDXYYITPCQNQ-XMMPIXPASA-N 0 0 417.509 4.895 50 0 HJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)Nc1cccnc1 ZINC000012375389 558391558 /nfs/dbraw/zinc/39/15/58/558391558.db2.gz WCWFXXZGHWXRLP-UHFFFAOYSA-N 0 0 416.264 4.658 50 0 HJAARN CCN(Cc1cn(CC)nc1C)C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000020616308 558393057 /nfs/dbraw/zinc/39/30/57/558393057.db2.gz FMHFSLZANYUDFW-UHFFFAOYSA-N 0 0 407.543 4.583 50 0 HJAARN COc1cccc(C[C@]2(CO)CCCN(C(=O)CCCc3ccc(Cl)cc3)C2)c1 ZINC000012387056 558395794 /nfs/dbraw/zinc/39/57/94/558395794.db2.gz ZGCNMRLKAZHPFQ-XMMPIXPASA-N 0 0 415.961 4.515 50 0 HJAARN O=C(NC[C@@H]1CCCO1)c1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000012404219 558397856 /nfs/dbraw/zinc/39/78/56/558397856.db2.gz FPEPFSHCMAEZAW-QHCPKHFHSA-N 0 0 400.478 4.515 50 0 HJAARN CSc1ccccc1NC(=O)N1CCC(CO)(Cc2ccccc2Cl)CC1 ZINC000020661443 558397847 /nfs/dbraw/zinc/39/78/47/558397847.db2.gz XHGPKVDQTSJRSE-UHFFFAOYSA-N 0 0 404.963 4.911 50 0 HJAARN O=C(Cc1cnc(-c2c(Cl)cccc2Cl)s1)NCc1ccc2c(c1)OCO2 ZINC000012408831 558399609 /nfs/dbraw/zinc/39/96/09/558399609.db2.gz SCZVBDACSPNRFW-UHFFFAOYSA-N 0 0 421.305 4.705 50 0 HJAARN O=C(NC1CCCC1)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000020719842 558402511 /nfs/dbraw/zinc/40/25/11/558402511.db2.gz BOSSERKFFLBDSO-HSZRJFAPSA-N 0 0 402.538 4.798 50 0 HJAARN C[C@@H]1C[C@H](C)CN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000012419523 558403256 /nfs/dbraw/zinc/40/32/56/558403256.db2.gz UPHJAAOGDLQXPI-OKILXGFUSA-N 0 0 420.918 4.903 50 0 HJAARN CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(C(=O)[C@H]2CC=CCC2)CC1 ZINC000012429664 558404535 /nfs/dbraw/zinc/40/45/35/558404535.db2.gz GNAYZABSEDKGIR-KRWDZBQOSA-N 0 0 423.475 4.776 50 0 HJAARN O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CCN(C(=O)c2ccco2)CC1 ZINC000012429521 558404555 /nfs/dbraw/zinc/40/45/55/558404555.db2.gz KLMMKBDPPOPVMJ-UHFFFAOYSA-N 0 0 408.429 4.702 50 0 HJAARN O=C(NCc1cccnc1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 ZINC000020729418 558405972 /nfs/dbraw/zinc/40/59/72/558405972.db2.gz PRKGGFKOQDFPJA-HSZRJFAPSA-N 0 0 417.553 4.583 50 0 HJAARN O=C(NCc1ccco1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 ZINC000020732428 558406851 /nfs/dbraw/zinc/40/68/51/558406851.db2.gz OIYZCKSUIKVDIY-JOCHJYFZSA-N 0 0 406.526 4.781 50 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O=c1c(Cl)c(NCc2ccc(COCC(F)(F)F)cc2)cnn1-c1ccccc1 ZINC000014316451 558652467 /nfs/dbraw/zinc/65/24/67/558652467.db2.gz PIHAJYLJGYMGIM-UHFFFAOYSA-N 0 0 423.822 4.577 50 0 HJAARN O=C1N[C@H](c2cccc(Cl)c2)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000004525611 558653220 /nfs/dbraw/zinc/65/32/20/558653220.db2.gz BTLPDUADAMVPBD-FQEVSTJZSA-N 0 0 409.942 4.814 50 0 HJAARN O=C(CCC(=O)c1ccccc1)NCCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000025986338 558653243 /nfs/dbraw/zinc/65/32/43/558653243.db2.gz FBIVVBNGESSPJP-UHFFFAOYSA-N 0 0 416.477 4.587 50 0 HJAARN CC(=O)N[C@@H](C)c1ccc(C(=O)CSc2nccn2-c2cc(C)cc(C)c2)cc1 ZINC000026046054 558654255 /nfs/dbraw/zinc/65/42/55/558654255.db2.gz VTURYYZVDRRICT-KRWDZBQOSA-N 0 0 407.539 4.661 50 0 HJAARN CCc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)c1 ZINC000026090376 558655076 /nfs/dbraw/zinc/65/50/76/558655076.db2.gz DJSYRMMPTLZCMO-UHFFFAOYSA-N 0 0 421.547 4.740 50 0 HJAARN CCN(C(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1)c1ccccc1 ZINC000026090274 558655138 /nfs/dbraw/zinc/65/51/38/558655138.db2.gz YCXGBRGIQUFWFQ-UHFFFAOYSA-N 0 0 421.547 4.592 50 0 HJAARN CCc1nc2sc(C(=O)Nc3ccccc3C(=O)N[C@H](C)CC)c(C)c2c(C)n1 ZINC000027389871 558672911 /nfs/dbraw/zinc/67/29/11/558672911.db2.gz PRSAIIRBIIDSCH-GFCCVEGCSA-N 0 0 410.543 4.651 50 0 HJAARN CCOc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccccc2)N(Cc2ccco2)C1=O ZINC000027460248 558673201 /nfs/dbraw/zinc/67/32/01/558673201.db2.gz HZLSJVIGJLKQAX-NRFANRHFSA-N 0 0 401.418 4.530 50 0 HJAARN C[C@@H]1CCC[C@H](NC(=O)CN2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc32)[C@@H]1C ZINC000027489002 558673497 /nfs/dbraw/zinc/67/34/97/558673497.db2.gz IMIPXVACLGOPIA-FGGBXUGGSA-N 0 0 415.537 4.654 50 0 HJAARN CCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1cnn(-c2ccccc2)c1 ZINC000014848109 558674560 /nfs/dbraw/zinc/67/45/60/558674560.db2.gz OTROMPFVFDSNKL-UHFFFAOYSA-N 0 0 403.404 4.861 50 0 HJAARN COc1ccc(Oc2ccc(Cl)cc2NC(=O)[C@@H]2COc3ccccc3O2)cc1 ZINC000014866808 558675008 /nfs/dbraw/zinc/67/50/08/558675008.db2.gz YTFAPANCYSAVCI-NRFANRHFSA-N 0 0 411.841 4.919 50 0 HJAARN COC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc(C)c(C)c3)on1)CCCC2 ZINC000027582344 558675945 /nfs/dbraw/zinc/67/59/45/558675945.db2.gz QYHVAFUYKKUVRK-UHFFFAOYSA-N 0 0 410.495 4.938 50 0 HJAARN COc1ccc(CN(C(=O)COc2cc(C)c(Cl)c(C)c2)c2ccccn2)cc1 ZINC000027661965 558678013 /nfs/dbraw/zinc/67/80/13/558678013.db2.gz SPBOVMQVMTXFED-UHFFFAOYSA-N 0 0 410.901 4.973 50 0 HJAARN CCCCCCC1=C[C@@](O)(C(F)(F)F)N(C(=O)COc2c(C)cc(C)cc2C)N1 ZINC000004551184 558680623 /nfs/dbraw/zinc/68/06/23/558680623.db2.gz FXCXWJMCYOWVME-HXUWFJFHSA-N 0 0 414.468 4.800 50 0 HJAARN COc1ccc(N(Cc2ccco2)C(=O)COc2ccc(Br)cc2)cc1 ZINC000027795677 558683364 /nfs/dbraw/zinc/68/33/64/558683364.db2.gz NHFHZQNSMBCKLF-UHFFFAOYSA-N 0 0 416.271 4.663 50 0 HJAARN COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCCN(Cc3nccs3)C2)cc1 ZINC000014974733 558688869 /nfs/dbraw/zinc/68/88/69/558688869.db2.gz OVXHBXGOWUYIGV-GOSISDBHSA-N 0 0 407.539 4.669 50 0 HJAARN CCCOc1cccc(C(=O)Nc2nc(-c3ccc(OCC)c(OC)c3)ns2)c1 ZINC000027994853 558688898 /nfs/dbraw/zinc/68/88/98/558688898.db2.gz PCJQOVOSZRFCHV-UHFFFAOYSA-N 0 0 413.499 4.654 50 0 HJAARN COc1ccc([C@H](c2c[nH]c3ccccc32)N(C)C(=O)COc2ccc(F)cc2)cc1 ZINC000028288721 558695498 /nfs/dbraw/zinc/69/54/98/558695498.db2.gz HTBAKDWSXHLESP-RUZDIDTESA-N 0 0 418.468 4.942 50 0 HJAARN Cc1cc2oc(C(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)cc(=O)c2cc1C ZINC000028289542 558696160 /nfs/dbraw/zinc/69/61/60/558696160.db2.gz XZVZODRHAJZTQU-HXUWFJFHSA-N 0 0 424.928 4.630 50 0 HJAARN O[C@@H](c1cccnc1)c1ccc2c(c1)CN(Cc1ccc(C(F)(F)F)cc1)CCO2 ZINC000015001431 558697850 /nfs/dbraw/zinc/69/78/50/558697850.db2.gz ARSUKUVINRYDAU-JOCHJYFZSA-N 0 0 414.427 4.577 50 0 HJAARN Cc1c(C(=O)N[C@H](C)c2cccs2)sc2ncnc(NCc3ccccn3)c12 ZINC000015003588 558698664 /nfs/dbraw/zinc/69/86/64/558698664.db2.gz UXVDHAWAHLNGTN-CYBMUJFWSA-N 0 0 409.540 4.559 50 0 HJAARN CC[C@H](Nc1ncnc2sc(C(=O)NCc3cccnc3)c(C)c21)c1cccs1 ZINC000015005714 558699034 /nfs/dbraw/zinc/69/90/34/558699034.db2.gz SHZAMDRLAOQBOU-HNNXBMFYSA-N 0 0 423.567 4.949 50 0 HJAARN CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(OCC)c1 ZINC000015010134 558699861 /nfs/dbraw/zinc/69/98/61/558699861.db2.gz ASRDWXSCWMVHQX-ODLFYWEKSA-N 0 0 401.459 4.860 50 0 HJAARN C[C@H]1C[C@@H](OC(=O)c2oc3ccccc3c2CSc2ccc(F)cc2)C(=O)O1 ZINC000072274740 558700440 /nfs/dbraw/zinc/70/04/40/558700440.db2.gz NRAUGSZLFSDERV-KPZWWZAWSA-N 0 0 400.427 4.725 50 0 HJAARN Cc1ccc(N(Cc2ccccc2)C(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1 ZINC000028441849 558701132 /nfs/dbraw/zinc/70/11/32/558701132.db2.gz RZCYXFXPPSTAPQ-UHFFFAOYSA-N 0 0 402.494 4.674 50 0 HJAARN CCSc1nnc2c(n1)O[C@@H](c1ccc(Br)s1)Nc1ccccc1-2 ZINC000015018376 558702833 /nfs/dbraw/zinc/70/28/33/558702833.db2.gz DGCHTWFIBQRIQL-AWEZNQCLSA-N 0 0 421.345 4.978 50 0 HJAARN CCN1c2ccccc2/C(=C/c2nc3ccccc3c(=O)n2-c2ccccc2C)C1=O ZINC000004551413 558703950 /nfs/dbraw/zinc/70/39/50/558703950.db2.gz PNNWYAGWWPVBRR-SILNSSARSA-N 0 0 407.473 4.601 50 0 HJAARN CCOC(=O)C[C@H]1CCCCN1Cc1nc(C(c2ccccc2)c2ccccc2)no1 ZINC000015063722 558706560 /nfs/dbraw/zinc/70/65/60/558706560.db2.gz QHJKGQZTSPHJHH-OAQYLSRUSA-N 0 0 419.525 4.558 50 0 HJAARN O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCC[C@@H]1c1nnc2ccccn21 ZINC000029072107 558709303 /nfs/dbraw/zinc/70/93/03/558709303.db2.gz LLCAJBMFFSGMMI-GOSISDBHSA-N 0 0 400.507 4.534 50 0 HJAARN COc1cccc(NC(=O)N2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)c1 ZINC000015067193 558710191 /nfs/dbraw/zinc/71/01/91/558710191.db2.gz CNOPZRTUZSRFOE-HNNXBMFYSA-N 0 0 406.404 4.841 50 0 HJAARN O=C1N(Cc2ccc(Cl)cc2)c2ccccc2[C@@]1(O)[C@H]1CCc2ccccc2C1=O ZINC000015081785 558719414 /nfs/dbraw/zinc/71/94/14/558719414.db2.gz KGRYFFCIRSPHFM-SQJMNOBHSA-N 0 0 417.892 4.520 50 0 HJAARN COc1cccc([C@@H](NC(=O)N[C@H](C)c2ccc(C(C)C)cc2)c2nccn2C)c1 ZINC000029729884 558719458 /nfs/dbraw/zinc/71/94/58/558719458.db2.gz IDQZIFQJSMUCNN-VGOFRKELSA-N 0 0 406.530 4.702 50 0 HJAARN CN(Cc1ccc2c(c1)OCO2)C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000015136182 558724610 /nfs/dbraw/zinc/72/46/10/558724610.db2.gz OSUYOZFBISAGAE-UHFFFAOYSA-N 0 0 401.462 4.704 50 0 HJAARN CC(C)[C@H](NC(=O)C[C@H](C)c1cccc(C(F)(F)F)c1)c1nnc2ccccn21 ZINC000072291357 558724694 /nfs/dbraw/zinc/72/46/94/558724694.db2.gz DWIXZDSVXIHEKB-LIRRHRJNSA-N 0 0 404.436 4.755 50 0 HJAARN Cc1cc(C)c(C(=O)C[C@]2(O)c3ccccc3N(Cc3cccc(F)c3)C2=O)c(C)c1 ZINC000004556241 558725195 /nfs/dbraw/zinc/72/51/95/558725195.db2.gz RCURUMVKQYHKLH-SANMLTNESA-N 0 0 417.480 4.758 50 0 HJAARN O=C(CCn1cnc2ccccc21)NC[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000029997644 558725602 /nfs/dbraw/zinc/72/56/02/558725602.db2.gz WFIDWSZNRVWAAW-LJQANCHMSA-N 0 0 414.534 4.918 50 0 HJAARN CCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(SC3CCCC3)cc2)c1 ZINC000030182164 558727835 /nfs/dbraw/zinc/72/78/35/558727835.db2.gz IDPADPFDGVKFOG-UHFFFAOYSA-N 0 0 404.557 4.735 50 0 HJAARN COc1cc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)ccc1OCc1cscn1 ZINC000030617677 558734412 /nfs/dbraw/zinc/73/44/12/558734412.db2.gz CPKCTGVGYVFWQQ-LBPRGKRZSA-N 0 0 415.540 4.564 50 0 HJAARN COc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@@H]2c2ccc(C)cc2)cc1 ZINC000015412276 558738203 /nfs/dbraw/zinc/73/82/03/558738203.db2.gz CZELGXTXYVPUAG-VWLOTQADSA-N 0 0 414.505 4.742 50 0 HJAARN CSc1ccc([C@@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2ccccc2)cc1 ZINC000015413321 558738560 /nfs/dbraw/zinc/73/85/60/558738560.db2.gz FDHZHTCFNCNKIZ-HSZRJFAPSA-N 0 0 402.519 4.838 50 0 HJAARN Cc1coc2cc3oc(=O)c(CCC(=O)N4CCc5ccccc5C4)c(C)c3cc12 ZINC000030819232 558738824 /nfs/dbraw/zinc/73/88/24/558738824.db2.gz FTZIWSLJHZROLI-UHFFFAOYSA-N 0 0 401.462 4.674 50 0 HJAARN COC(=O)c1ccccc1Nc1c(-c2ccc(O)c(OC)c2)nc2ccc(C)cn21 ZINC000015414430 558738993 /nfs/dbraw/zinc/73/89/93/558738993.db2.gz SQEHBKSACLMGMM-UHFFFAOYSA-N 0 0 403.438 4.554 50 0 HJAARN O=C(Nc1ccc(OC(=O)c2cc3ccccc3oc2=O)cc1)c1ccccc1Cl ZINC000015540821 558742878 /nfs/dbraw/zinc/74/28/78/558742878.db2.gz HGOSKVAIUDEHAI-UHFFFAOYSA-N 0 0 419.820 4.918 50 0 HJAARN C[C@H]([NH2+]C[C@H](O)C[P@](=O)([O-])CC1CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000031544793 558751079 /nfs/dbraw/zinc/75/10/79/558751079.db2.gz JGGVBBYJRQOPPA-BBRMVZONSA-N 0 0 408.306 4.856 50 0 in-vitro HJAARN Cc1c(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)sc2nc3n(c(=O)c12)CCC3 ZINC000015767103 558751904 /nfs/dbraw/zinc/75/19/04/558751904.db2.gz GXURRWWJDFISKD-SNVBAGLBSA-N 0 0 422.337 4.510 50 0 HJAARN COc1ccc(CNC(=O)Cc2c(C)[nH]c3ccc(OCc4ccccc4)cc32)cc1 ZINC000004576171 558753301 /nfs/dbraw/zinc/75/33/01/558753301.db2.gz AJDISTDZIVJKIE-UHFFFAOYSA-N 0 0 414.505 4.923 50 0 HJAARN CC[C@]1(C)Cc2ccccc2-c2nc3n(Cc4ccccc4)nc(SC)n3c(=O)c21 ZINC000015839124 558756498 /nfs/dbraw/zinc/75/64/98/558756498.db2.gz OKCAJPKAWXVGMI-XMMPIXPASA-N 0 0 416.550 4.552 50 0 HJAARN CC(=O)N1c2ccccc2-c2nnc(SCC(C)C)nc2O[C@H]1c1ccccc1F ZINC000032997415 558758648 /nfs/dbraw/zinc/75/86/48/558758648.db2.gz LBAMGGZUYIHQBG-NRFANRHFSA-N 0 0 424.501 4.870 50 0 HJAARN CCC(=O)N1c2ccc(C)cc2-c2nnc(SC)nc2O[C@H]1c1ccc(C)cc1 ZINC000032997522 558758853 /nfs/dbraw/zinc/75/88/53/558758853.db2.gz MXOITQVSGVMNAX-NRFANRHFSA-N 0 0 406.511 4.712 50 0 HJAARN CSc1nnc2c(n1)O[C@@H](c1cccc(C)c1)N(C(C)=O)c1ccc(Cl)cc1-2 ZINC000032998239 558759251 /nfs/dbraw/zinc/75/92/51/558759251.db2.gz FBLUTIJPQYUVFQ-IBGZPJMESA-N 0 0 412.902 4.666 50 0 HJAARN COc1ccc(NC(=O)c2ccc(Br)o2)cc1NC(=O)c1ccccc1 ZINC000032998406 558759327 /nfs/dbraw/zinc/75/93/27/558759327.db2.gz ZAUQIJZRAQVZRI-UHFFFAOYSA-N 0 0 415.243 4.555 50 0 HJAARN Cn1nc(Br)nc1Sc1ccccc1NC(=O)c1ccccc1Cl ZINC000015869056 558759718 /nfs/dbraw/zinc/75/97/18/558759718.db2.gz GUWIRAHJUBBJTC-UHFFFAOYSA-N 0 0 423.723 4.635 50 0 HJAARN CCOc1ccccc1NC(=O)[C@H](Oc1ccc2ccc(=O)oc2c1)c1ccccc1 ZINC000004579990 558762415 /nfs/dbraw/zinc/76/24/15/558762415.db2.gz ARTNGRKVLKOEAN-XMMPIXPASA-N 0 0 415.445 4.951 50 0 HJAARN COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)Nc1ncc(-c2ccccc2)s1 ZINC000072306074 558762956 /nfs/dbraw/zinc/76/29/56/558762956.db2.gz DWBUWDMDTUEWLG-MRXNPFEDSA-N 0 0 409.511 4.653 50 0 HJAARN COCC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1cccc(C)c1)CCCC3 ZINC000033274910 558764834 /nfs/dbraw/zinc/76/48/34/558764834.db2.gz SPCLZEPZKNFIEK-HSZRJFAPSA-N 0 0 406.551 4.804 50 0 HJAARN CC(=O)N1N=C(c2c(=O)[nH]c3ccc(C)cc3c2-c2ccccc2)C[C@@H]1c1ccco1 ZINC000015973959 558764936 /nfs/dbraw/zinc/76/49/36/558764936.db2.gz JMKBWRJNDQOQKP-OAQYLSRUSA-N 0 0 411.461 4.794 50 0 HJAARN CC[C@H](C(=O)Nc1cccc(Cl)c1C)n1ncc(-c2ccc(Cl)cc2)nc1=O ZINC000033324687 558766878 /nfs/dbraw/zinc/76/68/78/558766878.db2.gz AFEWHWGHBBYCNE-GOSISDBHSA-N 0 0 417.296 4.510 50 0 HJAARN C[C@@H]1Cc2ccccc2N1C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000016022738 558768415 /nfs/dbraw/zinc/76/84/15/558768415.db2.gz BNPTUKMDXYZAAZ-CYBMUJFWSA-N 0 0 423.866 4.948 50 0 HJAARN Cc1ccc(N(Cc2ccc(F)cc2Br)[C@@H]2C=CS(=O)(=O)C2)cc1C ZINC000072308572 558769653 /nfs/dbraw/zinc/76/96/53/558769653.db2.gz NYTVKWQTSOXKSA-GOSISDBHSA-N 0 0 424.335 4.522 50 0 HJAARN COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H]1CC=CC[C@@H]1Cc1ccccc1 ZINC000016035158 558769727 /nfs/dbraw/zinc/76/97/27/558769727.db2.gz RXFUGJQYDAQJPM-AEFFLSMTSA-N 0 0 406.457 4.857 50 0 HJAARN O=S(=O)(Nc1ccc(Br)cc1Cl)c1ccccc1C(F)(F)F ZINC000016096291 558771573 /nfs/dbraw/zinc/77/15/73/558771573.db2.gz HAYQHBSEXJFVFJ-UHFFFAOYSA-N 0 0 414.630 4.922 50 0 HJAARN Cc1ccccc1NC(=O)Cc1nc(CN2CCSC[C@H]2c2ccccc2)cs1 ZINC000072309169 558772246 /nfs/dbraw/zinc/77/22/46/558772246.db2.gz TYYZHRJASOZBNC-NRFANRHFSA-N 0 0 423.607 4.923 50 0 HJAARN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cc3)c2)cc1 ZINC000001120961 558775261 /nfs/dbraw/zinc/77/52/61/558775261.db2.gz ALNAQALGCPGXEN-UHFFFAOYSA-N 0 0 400.887 4.702 50 0 HJAARN CCc1cc(=O)n2nc(N[C@H]3CCCC[C@H]3c3ccc(C(F)(F)F)cc3)sc2n1 ZINC000072310222 558776594 /nfs/dbraw/zinc/77/65/94/558776594.db2.gz NRMIPQRDCKHRJQ-HOTGVXAUSA-N 0 0 422.476 4.871 50 0 HJAARN Cc1ccc(-n2ncc(-c3nnnn3-c3ccc(Cl)cc3)c2C(F)(F)F)c(C)c1 ZINC000016285048 558783757 /nfs/dbraw/zinc/78/37/57/558783757.db2.gz IONRTTVGXOYQLE-UHFFFAOYSA-N 0 0 418.810 4.804 50 0 HJAARN Cc1nc(-c2ccc(CNC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)o2)cs1 ZINC000016298344 558784607 /nfs/dbraw/zinc/78/46/07/558784607.db2.gz DRVYIMKUFQPECT-UHFFFAOYSA-N 0 0 413.499 4.989 50 0 HJAARN O=C(Nc1cccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c1)c1cccs1 ZINC000016309164 558784845 /nfs/dbraw/zinc/78/48/45/558784845.db2.gz RSXOUQKCWQPMFA-LJQANCHMSA-N 0 0 416.506 4.854 50 0 HJAARN CCCCn1c2ccccc2nc1N1CCC(C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000034909958 558787542 /nfs/dbraw/zinc/78/75/42/558787542.db2.gz WFCUICWVLUFGCS-IBGZPJMESA-N 0 0 404.558 4.930 50 0 HJAARN Cn1c2cc(NC(=O)Nc3cccc(Cl)c3)c(Oc3ccccc3)cc2n(C)c1=O ZINC000035506144 558793166 /nfs/dbraw/zinc/79/31/66/558793166.db2.gz LXSYHBCEPFCBHR-UHFFFAOYSA-N 0 0 422.872 4.967 50 0 HJAARN COC(=O)c1ccccc1Nc1c(-c2ccc(N(C)C)cc2)nc2cc(C)ccn21 ZINC000035616092 558794507 /nfs/dbraw/zinc/79/45/07/558794507.db2.gz CNEBRUWDTNOLCV-UHFFFAOYSA-N 0 0 400.482 4.906 50 0 HJAARN Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(Cl)c2)nc1 ZINC000016741301 558803399 /nfs/dbraw/zinc/80/33/99/558803399.db2.gz OJVWKFHMCAAYBJ-FQEVSTJZSA-N 0 0 402.837 4.900 50 0 HJAARN CNC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@H]1c1cccc(C)c1 ZINC000032977654 558803409 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CCCCOc1ccccc1-c1cc(C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)[nH]n1 ZINC000072331604 558868280 /nfs/dbraw/zinc/86/82/80/558868280.db2.gz HKYDSHGKDJOWOZ-MRXNPFEDSA-N 0 0 423.513 4.764 50 0 HJAARN CCn1c2ccccc2nc1NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c21 ZINC000010652414 558868538 /nfs/dbraw/zinc/86/85/38/558868538.db2.gz OSZVTVJHSHDLHL-UHFFFAOYSA-N 0 0 415.428 4.959 50 0 HJAARN Cc1ccsc1CN1CCOc2ccc([C@@](C)(O)COc3ccccc3)cc2C1 ZINC000055042049 558870444 /nfs/dbraw/zinc/87/04/44/558870444.db2.gz VASUIZDZYKJUFW-DEOSSOPVSA-N 0 0 409.551 4.738 50 0 HJAARN Cc1oc(-c2cc(F)cc(F)c2)nc1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000055053579 558870860 /nfs/dbraw/zinc/87/08/60/558870860.db2.gz AGHFDGHTDKVULE-UHFFFAOYSA-N 0 0 403.860 4.904 50 0 HJAARN Cc1ccc(NC(=O)c2nc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cc1F ZINC000033088600 558871626 /nfs/dbraw/zinc/87/16/26/558871626.db2.gz SMBYJVROWLVHOR-UHFFFAOYSA-N 0 0 421.379 4.571 50 0 HJAARN CC(C)c1ccccc1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C ZINC000033088693 558871770 /nfs/dbraw/zinc/87/17/70/558871770.db2.gz NVVWKRCUNIHCSL-UHFFFAOYSA-N 0 0 406.507 4.868 50 0 HJAARN CC1CCN(C(=O)CSc2nc3ccccc3c(NCc3ccccc3)n2)CC1 ZINC000004659282 558872433 /nfs/dbraw/zinc/87/24/33/558872433.db2.gz IAKWUAXJSMDERM-UHFFFAOYSA-N 0 0 406.555 4.593 50 0 HJAARN COC(=O)c1ccc(-n2c(/C=C\c3ccc(F)c(F)c3)nc3ccccc3c2=O)cc1 ZINC000033096837 558872847 /nfs/dbraw/zinc/87/28/47/558872847.db2.gz IUIMIQPCCXZIMS-QPEQYQDCSA-N 0 0 418.399 4.621 50 0 HJAARN Cc1ccccc1NC(=O)c1nnc([C@H]2CCCN(C(=O)Nc3ccccc3)C2)s1 ZINC000033113216 558875246 /nfs/dbraw/zinc/87/52/46/558875246.db2.gz MALYUSLUWRMKSO-INIZCTEOSA-N 0 0 421.526 4.510 50 0 HJAARN COc1ccc(/C=C2/Sc3ccc(C(=O)N4C[C@@H](C)C[C@H](C)C4)cc3NC2=O)cc1 ZINC000004668439 558878457 /nfs/dbraw/zinc/87/84/57/558878457.db2.gz FXAMMHZMSJMSMT-ZZPFTBFSSA-N 0 0 422.550 4.899 50 0 HJAARN Cc1ccc(C)c(NC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCc3ccccc32)c1 ZINC000033127948 558881421 /nfs/dbraw/zinc/88/14/21/558881421.db2.gz BTJOAYDUHYBSEC-HSZRJFAPSA-N 0 0 413.521 4.626 50 0 HJAARN Cc1cccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCc3ccccc32)c1C ZINC000033127942 558881423 /nfs/dbraw/zinc/88/14/23/558881423.db2.gz YAJWXOKMTDESDT-HSZRJFAPSA-N 0 0 413.521 4.626 50 0 HJAARN Cc1ccc(-n2nc(S[C@H](C)C(=O)Nc3ccccc3Cl)ccc2=O)cc1C ZINC000033128058 558881598 /nfs/dbraw/zinc/88/15/98/558881598.db2.gz XKSNWWAPWVXNJH-OAHLLOKOSA-N 0 0 413.930 4.622 50 0 HJAARN Cc1ccc(NC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)cc1 ZINC000033128222 558881920 /nfs/dbraw/zinc/88/19/20/558881920.db2.gz SBXVIRSQLKDJEO-OAHLLOKOSA-N 0 0 413.930 4.622 50 0 HJAARN Cc1ccc(C(=O)N2CCc3ccc(NC(=O)NCc4ccc(F)cc4)cc32)cc1 ZINC000033128696 558882648 /nfs/dbraw/zinc/88/26/48/558882648.db2.gz MLHMPWREEJIWGV-UHFFFAOYSA-N 0 0 403.457 4.659 50 0 HJAARN COc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2OC)c1 ZINC000004672925 558884931 /nfs/dbraw/zinc/88/49/31/558884931.db2.gz FFDHPEJZLBWLOA-IZHYLOQSSA-N 0 0 400.434 4.935 50 0 HJAARN CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)ccc21 ZINC000004674040 558885160 /nfs/dbraw/zinc/88/51/60/558885160.db2.gz FQJYUDLGAUVCPG-UHFFFAOYSA-N 0 0 407.495 4.574 50 0 HJAARN CCCCCCOc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2C2CC2)cc1 ZINC000004674586 558886357 /nfs/dbraw/zinc/88/63/57/558886357.db2.gz KXXSBCSCEHCXQJ-DEOSSOPVSA-N 0 0 412.574 4.853 50 0 HJAARN COc1ccc(Oc2ccc(-c3cccc(C(=O)N4CCC(C)CC4)c3)nn2)cc1 ZINC000033130978 558887581 /nfs/dbraw/zinc/88/75/81/558887581.db2.gz WICWGAZCRUCVDF-UHFFFAOYSA-N 0 0 403.482 4.817 50 0 HJAARN CCn1c2ccccc2c2cc(NC(=O)COCC(=O)Nc3ccc(C)cc3)ccc21 ZINC000004676888 558888834 /nfs/dbraw/zinc/88/88/34/558888834.db2.gz ZOOXWFKZPYBZOR-UHFFFAOYSA-N 0 0 415.493 4.717 50 0 HJAARN O=C(NC1CCCCC1)[C@@H]1CCCN(C(=O)c2cccnc2Sc2ccccc2)C1 ZINC000057994208 558893366 /nfs/dbraw/zinc/89/33/66/558893366.db2.gz VAMKTMLWAYXBBW-GOSISDBHSA-N 0 0 423.582 4.534 50 0 HJAARN O=C(Nc1ccc(F)c(F)c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000004682307 558894232 /nfs/dbraw/zinc/89/42/32/558894232.db2.gz REUHTMAQCGQALP-NRFANRHFSA-N 0 0 414.433 4.584 50 0 HJAARN Cc1cccc(NC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccccc3)C2)c1C ZINC000033168993 558898781 /nfs/dbraw/zinc/89/87/81/558898781.db2.gz FOOFFCQYSUFLPO-LJQANCHMSA-N 0 0 402.498 4.741 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)CSc1ncnc2c3cc(F)ccc3[nH]c21 ZINC000033172652 558901155 /nfs/dbraw/zinc/90/11/55/558901155.db2.gz KPIVNEOXQTWMPK-UHFFFAOYSA-N 0 0 416.865 4.643 50 0 HJAARN Cc1ccc(N(C)S(=O)(=O)c2cc(-c3cc(C(F)(F)F)on3)ccc2C)cc1 ZINC000033173465 558901675 /nfs/dbraw/zinc/90/16/75/558901675.db2.gz DSNBORLZCLWFAW-UHFFFAOYSA-N 0 0 410.417 4.802 50 0 HJAARN C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)N1CC=C(c2ccccc2)CC1 ZINC000058143661 558901679 /nfs/dbraw/zinc/90/16/79/558901679.db2.gz FSEMFGGOALFGIN-HZPDHXFCSA-N 0 0 405.567 4.960 50 0 HJAARN C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)N1CC=C(c2ccccc2)CC1 ZINC000058143667 558901726 /nfs/dbraw/zinc/90/17/26/558901726.db2.gz FSEMFGGOALFGIN-JKSUJKDBSA-N 0 0 405.567 4.960 50 0 HJAARN Cc1nc2ccccc2c(C)c1CC(=O)NC[C@@H](c1c(F)cccc1Cl)N(C)C ZINC000058158676 558904014 /nfs/dbraw/zinc/90/40/14/558904014.db2.gz IOGLSPRBHIQGNA-NRFANRHFSA-N 0 0 413.924 4.606 50 0 HJAARN O=C(Nc1cc(NC(=O)N2CCO[C@H]3CCCC[C@@H]32)ccc1F)C1CCCCC1 ZINC000058158841 558904140 /nfs/dbraw/zinc/90/41/40/558904140.db2.gz ABISGOLJCRDKNP-PMACEKPBSA-N 0 0 403.498 4.520 50 0 HJAARN CC(=O)c1ccc(N2CCN(Cc3csc(-c4ccc(Cl)cc4)n3)CC2)cc1 ZINC000058165217 558906742 /nfs/dbraw/zinc/90/67/42/558906742.db2.gz RUZSMTHDVKMROZ-UHFFFAOYSA-N 0 0 411.958 4.988 50 0 HJAARN CCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000004700194 558907771 /nfs/dbraw/zinc/90/77/71/558907771.db2.gz MNPADLDUQVHZPR-UHFFFAOYSA-N 0 0 415.375 4.710 50 0 HJAARN O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1csc(-c2ccccn2)n1 ZINC000058184215 558910480 /nfs/dbraw/zinc/91/04/80/558910480.db2.gz CEQWFBWCEWREKB-OVCLIPMQSA-N 0 0 402.262 4.856 50 0 HJAARN Cc1ccc(-c2nc(CCNC(=O)c3ccc(F)cc3Br)cs2)cc1 ZINC000058191770 558910749 /nfs/dbraw/zinc/91/07/49/558910749.db2.gz JBSGCUKHMHKZCO-UHFFFAOYSA-N 0 0 419.319 4.993 50 0 HJAARN CCC(=O)c1ccc(OCC(=O)Nc2cccc(NC(=O)N3CCCCCC3)c2)cc1 ZINC000058196636 558910928 /nfs/dbraw/zinc/91/09/28/558910928.db2.gz RJSJMQXARBCMKZ-UHFFFAOYSA-N 0 0 423.513 4.705 50 0 HJAARN C[C@@H]1CCN(C(=O)COC(=O)c2[nH]c3ccccc3c2Cl)c2ccccc2S1 ZINC000058195681 558910948 /nfs/dbraw/zinc/91/09/48/558910948.db2.gz VYOJMLNRMKBAOK-CYBMUJFWSA-N 0 0 414.914 4.896 50 0 HJAARN O=C(OCc1ccccc1)N1CCC(O)(CNc2ccc(Cl)cc2Cl)CC1 ZINC000071789008 558911934 /nfs/dbraw/zinc/91/19/34/558911934.db2.gz CYTQOAISVQMEMS-UHFFFAOYSA-N 0 0 409.313 4.569 50 0 HJAARN CCOc1ccc(CNC(=O)c2cc3ccccc3cc2NC(=O)CC)cc1OC ZINC000058213733 558912384 /nfs/dbraw/zinc/91/23/84/558912384.db2.gz KUURBCUDEKNROV-UHFFFAOYSA-N 0 0 406.482 4.526 50 0 HJAARN Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000004705300 558912756 /nfs/dbraw/zinc/91/27/56/558912756.db2.gz UNLXHSPBWLSPKC-QFIPXVFZSA-N 0 0 401.514 4.946 50 0 HJAARN CCc1ccc(CNc2nc(NCc3ccc(CC)cc3)n(C(=O)C(C)C)n2)cc1 ZINC000004703243 558912916 /nfs/dbraw/zinc/91/29/16/558912916.db2.gz FQKMVIULXRXLSZ-UHFFFAOYSA-N 0 0 405.546 4.923 50 0 HJAARN COc1cccc2cc([C@@H](C)NC(=O)c3cc(Br)cnc3Cl)oc21 ZINC000058225871 558913637 /nfs/dbraw/zinc/91/36/37/558913637.db2.gz ODQMTVUUSBVTJI-SECBINFHSA-N 0 0 409.667 4.743 50 0 HJAARN COc1ccc(C(=O)Nc2ccnc(Sc3ccccn3)c2)cc1Br ZINC000058225642 558913646 /nfs/dbraw/zinc/91/36/46/558913646.db2.gz KUMWNPNYYDZFEX-UHFFFAOYSA-N 0 0 416.300 4.651 50 0 HJAARN CCOc1cccc2c1O[C@H](c1ccc(OC)c(OC)c1)N1N=C(c3ccco3)C[C@H]21 ZINC000004715670 558914913 /nfs/dbraw/zinc/91/49/13/558914913.db2.gz ZELCQWUTVKXZPG-HOYKHHGWSA-N 0 0 420.465 4.938 50 0 HJAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@H]3c2ccc(OC)cc2)cc1 ZINC000004715972 558915495 /nfs/dbraw/zinc/91/54/95/558915495.db2.gz LKCCESQZLITANT-ZCYQVOJMSA-N 0 0 416.477 4.955 50 0 HJAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1Cl ZINC000058264767 558915553 /nfs/dbraw/zinc/91/55/53/558915553.db2.gz MGOFZQXKHSXMRZ-SFHVURJKSA-N 0 0 417.918 4.614 50 0 HJAARN COc1ccc2cc([C@H](C)C(=O)Nc3cccc(N4C(=O)NC[C@@H]4C)c3)ccc2c1 ZINC000058305314 558917967 /nfs/dbraw/zinc/91/79/67/558917967.db2.gz VSBRGKMEXKDPDO-HOTGVXAUSA-N 0 0 403.482 4.509 50 0 HJAARN CCC[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)N1CCc2sccc2C1 ZINC000058306850 558918424 /nfs/dbraw/zinc/91/84/24/558918424.db2.gz ZTMYAZMMBHTHCJ-QFIPXVFZSA-N 0 0 418.562 4.899 50 0 HJAARN Cc1noc([C@@H](NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c2ccccc2)n1 ZINC000058314316 558919170 /nfs/dbraw/zinc/91/91/70/558919170.db2.gz LYBYMZNSSKUUNJ-NRFANRHFSA-N 0 0 422.872 4.525 50 0 HJAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCN(C(=O)CCC2CCCC2)CC1 ZINC000033252176 558920480 /nfs/dbraw/zinc/92/04/80/558920480.db2.gz HFTVLGHSFZKRBD-UHFFFAOYSA-N 0 0 415.965 4.918 50 0 HJAARN CCc1nc(-c2ccc(NC(=O)Nc3ccc(Br)cc3F)cc2)no1 ZINC000033257287 558924293 /nfs/dbraw/zinc/92/42/93/558924293.db2.gz VTXSVZKZQCJCTH-UHFFFAOYSA-N 0 0 405.227 4.845 50 0 HJAARN CCc1nc(-c2ccc(NC(=O)Nc3cc(Cl)c(OC)cc3OC)cc2)no1 ZINC000033257282 558924325 /nfs/dbraw/zinc/92/43/25/558924325.db2.gz UDZUPRCPSVVHEO-UHFFFAOYSA-N 0 0 402.838 4.614 50 0 HJAARN Cc1nn(-c2ccc(-c3noc(C4CCC4)n3)cc2)cc1C(=O)Nc1ccccc1F ZINC000033258575 558925580 /nfs/dbraw/zinc/92/55/80/558925580.db2.gz CNFGXKSYXZIQMF-UHFFFAOYSA-N 0 0 417.444 4.890 50 0 HJAARN COc1ccccc1Nc1nc2sc(C(=O)O[C@H]3CCCCC3=O)cc2s1 ZINC000058871619 558930671 /nfs/dbraw/zinc/93/06/71/558930671.db2.gz KEYZZMYNERVPLA-AWEZNQCLSA-N 0 0 402.497 4.779 50 0 HJAARN CCCN(Cc1cc(=O)n2c(C)csc2n1)[C@H](C)c1ccccc1Br ZINC000059121780 558932085 /nfs/dbraw/zinc/93/20/85/558932085.db2.gz GUCXDNHPDUMHNL-CQSZACIVSA-N 0 0 420.376 4.800 50 0 HJAARN CCOc1ccc(S(=O)(=O)NCCc2c(C)[nH]c3ccc(C)cc32)cc1C(C)C ZINC000004727235 558932430 /nfs/dbraw/zinc/93/24/30/558932430.db2.gz PFNXEIUHMSKSTO-UHFFFAOYSA-N 0 0 414.571 4.828 50 0 HJAARN Cc1nc(-c2ccc(CCNC(=O)c3cc(C4CC4)n(C(C)(C)C)n3)cc2)cs1 ZINC000059257872 558932962 /nfs/dbraw/zinc/93/29/62/558932962.db2.gz ZFJQQUFIEHLSOX-UHFFFAOYSA-N 0 0 408.571 4.920 50 0 HJAARN O=C(c1cnn(-c2ccc(Br)cc2)c1)N(Cc1cccs1)C1CC1 ZINC000059278941 558933379 /nfs/dbraw/zinc/93/33/79/558933379.db2.gz BXEXKQJCMAIQFS-UHFFFAOYSA-N 0 0 402.317 4.501 50 0 HJAARN CCOc1cccc([C@H](C)NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c1 ZINC000060183072 558941719 /nfs/dbraw/zinc/94/17/19/558941719.db2.gz ZUIVNXARPYRFBJ-YADARESESA-N 0 0 416.521 4.824 50 0 HJAARN Cc1cccc(NC(=O)[C@H](C)n2cnc3onc(-c4ccc(Cl)cc4)c3c2=O)c1C ZINC000033057682 558942462 /nfs/dbraw/zinc/94/24/62/558942462.db2.gz LJKFSNWMHXXNCW-AWEZNQCLSA-N 0 0 422.872 4.521 50 0 HJAARN CCOc1ccc(NC(=O)[C@H](CC)n2nc(-c3cc(C)ccc3C)ccc2=O)cc1 ZINC000021783503 558949172 /nfs/dbraw/zinc/94/91/72/558949172.db2.gz GVSSSNIBQUEIEM-QFIPXVFZSA-N 0 0 405.498 4.516 50 0 HJAARN CCc1ccccc1NC(=O)[C@@H](C)n1nc(-c2ccccc2)c2c(c1=O)CCCC2 ZINC000021783886 558949383 /nfs/dbraw/zinc/94/93/83/558949383.db2.gz GQZCLAWFJRHLLI-QGZVFWFLSA-N 0 0 401.510 4.551 50 0 HJAARN Cc1ccc(C)c([C@@H]2CC(=O)Nc3nc(SCc4ccccc4F)[nH]c(=O)c32)c1 ZINC000021784349 558949583 /nfs/dbraw/zinc/94/95/83/558949583.db2.gz SDDYNDSLZOQCQY-INIZCTEOSA-N 0 0 409.486 4.705 50 0 HJAARN Cc1ccc(NC(=O)NCCc2nc3cccnc3n2-c2ccccc2)c(Cl)c1 ZINC000033263745 558951860 /nfs/dbraw/zinc/95/18/60/558951860.db2.gz DIPCRGKEQDKZRU-UHFFFAOYSA-N 0 0 405.889 4.747 50 0 HJAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccsc3cc2C(=O)N1C1CCCC1 ZINC000021809827 558953020 /nfs/dbraw/zinc/95/30/20/558953020.db2.gz UJMAFORWTLDSJF-QHCPKHFHSA-N 0 0 413.587 4.699 50 0 HJAARN CCCN1C(=O)c2cc3sc(CC)cc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021809888 558953086 /nfs/dbraw/zinc/95/30/86/558953086.db2.gz TWCIMKFVGLLCQE-QHCPKHFHSA-N 0 0 415.603 4.729 50 0 HJAARN Cc1ccc(C)c(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCC2)c1 ZINC000021810535 558953239 /nfs/dbraw/zinc/95/32/39/558953239.db2.gz FSBNBTLLDXQWBW-VWLOTQADSA-N 0 0 419.525 4.719 50 0 HJAARN Cc1ccc(C)c2c(=O)cc(CSCC(=O)Nc3cccc(Cl)c3C)[nH]c12 ZINC000033064137 558956940 /nfs/dbraw/zinc/95/69/40/558956940.db2.gz NOQGGQMKUHPYNE-UHFFFAOYSA-N 0 0 400.931 4.979 50 0 HJAARN Cc1ccc(C)c2c(=O)cc(CSCC(=O)Nc3ccc(F)c(Cl)c3)[nH]c12 ZINC000033064127 558956956 /nfs/dbraw/zinc/95/69/56/558956956.db2.gz VSQKTKPFTHUDLQ-UHFFFAOYSA-N 0 0 404.894 4.809 50 0 HJAARN CCc1ccc(OCc2nnc(SCc3cc(=O)c4ccccc4[nH]3)n2CC)cc1 ZINC000033064313 558957126 /nfs/dbraw/zinc/95/71/26/558957126.db2.gz ZTSCBVBEXJEHRH-UHFFFAOYSA-N 0 0 420.538 4.573 50 0 HJAARN Cc1ccccc1NC(=O)Nc1ccc(OCc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000033067878 558958031 /nfs/dbraw/zinc/95/80/31/558958031.db2.gz CBZGPKUYGNMKMO-UHFFFAOYSA-N 0 0 414.465 4.534 50 0 HJAARN Cc1ccc2c(C(=O)N(C)C3CCOCC3)cc(-c3cnn(C(C)C)c3)nc2c1C ZINC000063834679 558959262 /nfs/dbraw/zinc/95/92/62/558959262.db2.gz LJSDBEMZOJIFIV-UHFFFAOYSA-N 0 0 406.530 4.547 50 0 HJAARN Cc1csc([C@H](C)N(C)C(=O)c2cc(-c3cncnc3)nc3c(C)cccc23)n1 ZINC000063848014 558959459 /nfs/dbraw/zinc/95/94/59/558959459.db2.gz MFKXRJVNXCRIAZ-HNNXBMFYSA-N 0 0 403.511 4.598 50 0 HJAARN Cc1cccc(C)c1NC(=O)Nc1cc2c(cc1Oc1ccccc1)n(C)c(=O)n2C ZINC000064591801 558964678 /nfs/dbraw/zinc/96/46/78/558964678.db2.gz DWMDGUPJWKPCKO-UHFFFAOYSA-N 0 0 416.481 4.930 50 0 HJAARN COc1ccc(-n2nc(-c3nc(-c4ccc(C)c(C)c4)no3)c3ccccc3c2=O)cc1 ZINC000064949676 558967666 /nfs/dbraw/zinc/96/76/66/558967666.db2.gz SDTDPSMVKQDZQI-UHFFFAOYSA-N 0 0 424.460 4.728 50 0 HJAARN O=c1c2ccccc2c(-c2nc(-c3cccc(F)c3)no2)nn1-c1ccc(Cl)cc1 ZINC000064949891 558967875 /nfs/dbraw/zinc/96/78/75/558967875.db2.gz NOOQVCWZQYBVOW-UHFFFAOYSA-N 0 0 418.815 4.895 50 0 HJAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCCCC[C@H]1c1ccccc1Cl ZINC000064984288 558968403 /nfs/dbraw/zinc/96/84/03/558968403.db2.gz JMYKNPIQEPWJOK-FQEVSTJZSA-N 0 0 420.962 4.913 50 0 HJAARN CSc1ccc(CCNC(=O)c2cnc3c(-c4ccccc4)c(C)nn3c2C)cc1 ZINC000021914913 558971629 /nfs/dbraw/zinc/97/16/29/558971629.db2.gz OBCCNBXXRFLUPP-UHFFFAOYSA-N 0 0 416.550 4.708 50 0 HJAARN CN(C(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)c1ccccc1F ZINC000021915208 558971741 /nfs/dbraw/zinc/97/17/41/558971741.db2.gz JEEJLAOHIUEGOV-UHFFFAOYSA-N 0 0 417.484 4.939 50 0 HJAARN CC[C@@H]1COCCN1Cc1cn(-c2ccccc2C)nc1-c1ccc(OC)c(F)c1 ZINC000072422028 558978587 /nfs/dbraw/zinc/97/85/87/558978587.db2.gz FMYSLFCBEWVLMS-HXUWFJFHSA-N 0 0 409.505 4.606 50 0 HJAARN Cc1cc(Nc2ccc(Br)cc2)n2nc(Cc3cccc(F)c3)nc2n1 ZINC000021941593 558979208 /nfs/dbraw/zinc/97/92/08/558979208.db2.gz SRWZDOQYFAZWHH-UHFFFAOYSA-N 0 0 412.266 4.669 50 0 HJAARN COc1ccc(-c2nc3c(C)cccc3cc2CN(C)Cc2ccon2)cc1OC ZINC000072462951 558983197 /nfs/dbraw/zinc/98/31/97/558983197.db2.gz KAKTWDVFXOHEHD-UHFFFAOYSA-N 0 0 403.482 4.847 50 0 HJAARN Cc1cc(N2CC[C@@]3(C2)CCCN(Cc2ccc(F)cc2)C3=O)nc2ccccc12 ZINC000072463722 558983308 /nfs/dbraw/zinc/98/33/08/558983308.db2.gz CORTZHUEIWAUQB-RUZDIDTESA-N 0 0 403.501 4.701 50 0 HJAARN CC(=O)c1cc(CN2CCC3(CN(C[C@H](C)c4ccccc4)C(=O)O3)CC2)cs1 ZINC000072481373 558984201 /nfs/dbraw/zinc/98/42/01/558984201.db2.gz GBGZJXCARCEGIS-KRWDZBQOSA-N 0 0 412.555 4.541 50 0 HJAARN COc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1C)CN(C)CC3 ZINC000033265597 558985771 /nfs/dbraw/zinc/98/57/71/558985771.db2.gz PJGPDHUZXLIRLI-HNNXBMFYSA-N 0 0 422.554 4.644 50 0 HJAARN C[C@@H]1CCC[C@@H](NC(=O)c2cn(-c3ccc(F)cc3F)c(=O)c3ccccc23)[C@@H]1C ZINC000004730300 558986804 /nfs/dbraw/zinc/98/68/04/558986804.db2.gz JUEMYTNVESOTIR-VTJXTGGHSA-N 0 0 410.464 4.823 50 0 HJAARN CCCc1noc(CCCC(=O)Nc2ccc(CC[C@H](O)c3ccccc3)cc2)n1 ZINC000097000980 558987571 /nfs/dbraw/zinc/98/75/71/558987571.db2.gz LEHKDGAFPXKLTR-NRFANRHFSA-N 0 0 407.514 4.650 50 0 HJAARN CCOc1ccc(CN(C)C(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)cc1 ZINC000011239028 558989130 /nfs/dbraw/zinc/98/91/30/558989130.db2.gz DZTAKSYYKFFWCK-UHFFFAOYSA-N 0 0 414.509 4.789 50 0 HJAARN Cc1cc(C(=O)CSc2nc(=O)c3c(-c4ccc(F)cc4)csc3[nH]2)c(C)[nH]1 ZINC000022416747 558990586 /nfs/dbraw/zinc/99/05/86/558990586.db2.gz APKYHOYTWSUPDK-UHFFFAOYSA-N 0 0 413.499 4.711 50 0 HJAARN O=C(COc1ccc(Cl)cc1)N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000033268303 558991434 /nfs/dbraw/zinc/99/14/34/558991434.db2.gz NTTAKCOELNORRW-NRFANRHFSA-N 0 0 419.868 4.675 50 0 HJAARN Cc1cc(SCC(=O)Nc2ccccc2F)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000033268950 558993459 /nfs/dbraw/zinc/99/34/59/558993459.db2.gz DWCSXZIDCRWQSR-UHFFFAOYSA-N 0 0 410.449 4.714 50 0 HJAARN Cc1cc(SCC(=O)Nc2cccc(F)c2)n2ncc(-c3ccc(F)cc3)c2n1 ZINC000033268951 558993470 /nfs/dbraw/zinc/99/34/70/558993470.db2.gz APHDRFWSDOAAAK-UHFFFAOYSA-N 0 0 410.449 4.714 50 0 HJAARN Cc1cc(C)cc(NC(=O)N2CC[C@@H](n3c(-c4ccco4)nc4cccnc43)C2)c1 ZINC000097111414 558995400 /nfs/dbraw/zinc/99/54/00/558995400.db2.gz DDBVPDBIEOZDBN-GOSISDBHSA-N 0 0 401.470 4.787 50 0 HJAARN CCOc1ccc(NC(=O)N2CC[C@H](n3c(-c4ccoc4)nc4cccnc43)C2)cc1 ZINC000097124365 558995833 /nfs/dbraw/zinc/99/58/33/558995833.db2.gz RXPBISPFVJFPBF-SFHVURJKSA-N 0 0 417.469 4.569 50 0 HJAARN O=C(c1ccc(F)c(Cl)c1)N1CC[C@H](n2c(-c3ccco3)nc3cccnc32)C1 ZINC000097138854 558996663 /nfs/dbraw/zinc/99/66/63/558996663.db2.gz YREOFDBAJZODAH-AWEZNQCLSA-N 0 0 410.836 4.571 50 0 HJAARN O=C(Nc1cccs1)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 ZINC000022504991 558997727 /nfs/dbraw/zinc/99/77/27/558997727.db2.gz BFPKDHKUNCFSJS-UHFFFAOYSA-N 0 0 413.524 4.534 50 0 HJAARN COc1cc(NC(=O)c2cc(-c3ccccc3F)nc3onc(C)c32)cc(OC)c1 ZINC000011247385 559008286 /nfs/dbraw/zinc/00/82/86/559008286.db2.gz MMGGQVTZHWNWRY-UHFFFAOYSA-N 0 0 407.401 4.607 50 0 HJAARN CC(C)[C@H](NC(=O)CSc1ncccc1Cl)c1ccc2c(c1)OCCCO2 ZINC000011250543 559011004 /nfs/dbraw/zinc/01/10/04/559011004.db2.gz XLPPUWWMVHCQRY-IBGZPJMESA-N 0 0 406.935 4.502 50 0 HJAARN O=C(NCc1ccc(COCC(F)(F)F)cc1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000011253993 559014867 /nfs/dbraw/zinc/01/48/67/559014867.db2.gz HHPPFQPNDFOQIZ-UHFFFAOYSA-N 0 0 421.444 4.544 50 0 HJAARN COc1cc(NC(=O)CCCOc2ccc(Cl)c(C)c2)ccc1N1CCCC1=O ZINC000011261515 559017166 /nfs/dbraw/zinc/01/71/66/559017166.db2.gz VYMPOGIKTWEQIL-UHFFFAOYSA-N 0 0 416.905 4.582 50 0 HJAARN Cc1ccc(-n2ncc3c2c(SCC(=O)Nc2ccccc2F)nnc3C)cc1C ZINC000023137740 559019139 /nfs/dbraw/zinc/01/91/39/559019139.db2.gz FNXQIVHLSJFCBG-UHFFFAOYSA-N 0 0 421.501 4.611 50 0 HJAARN CCCc1ccc(-c2nc(NC(=O)c3ccc(-n4ccnc4)nc3)sc2C)cc1 ZINC000023184907 559030830 /nfs/dbraw/zinc/03/08/30/559030830.db2.gz JYHJGFFRABTUCU-UHFFFAOYSA-N 0 0 403.511 4.904 50 0 HJAARN Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc(Br)cc2)c1 ZINC000002468174 559032192 /nfs/dbraw/zinc/03/21/92/559032192.db2.gz JDJNGFSEZDIQNL-UHFFFAOYSA-N 0 0 416.344 4.982 50 0 HJAARN Cc1cc(C)c(NC(=O)CCc2nc(CSc3nc4ccccc4[nH]3)no2)c(C)c1 ZINC000033270793 559032653 /nfs/dbraw/zinc/03/26/53/559032653.db2.gz FHFJUAVFUYINEF-UHFFFAOYSA-N 0 0 421.526 4.735 50 0 HJAARN Cc1ccc(C)c(NC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)c1 ZINC000033271976 559033298 /nfs/dbraw/zinc/03/32/98/559033298.db2.gz SYMTWECMXDQOCS-UHFFFAOYSA-N 0 0 406.507 4.670 50 0 HJAARN Cc1ccc(-c2nn(Cc3nc(-c4ccccc4C)no3)c(=O)c3ccccc32)cc1 ZINC000033273834 559034225 /nfs/dbraw/zinc/03/42/25/559034225.db2.gz PLKVLNYOQMJZTQ-UHFFFAOYSA-N 0 0 408.461 4.779 50 0 HJAARN COC(=O)c1c2cc(NS(=O)(=O)c3ccc(C)cc3)c(C)cc2oc1C(C)(C)C ZINC000004735784 559034879 /nfs/dbraw/zinc/03/48/79/559034879.db2.gz PCTYHHKUMSNABV-UHFFFAOYSA-N 0 0 415.511 4.935 50 0 HJAARN Cc1cccc(Oc2nccnc2N2CCC(C(=O)Nc3ccc(C)c(F)c3)CC2)c1 ZINC000033288280 559044274 /nfs/dbraw/zinc/04/42/74/559044274.db2.gz LJCGZEGAEZJPFQ-UHFFFAOYSA-N 0 0 420.488 4.880 50 0 HJAARN Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1Cl ZINC000004742711 559044630 /nfs/dbraw/zinc/04/46/30/559044630.db2.gz LEDKXMFQFLWWEL-UHFFFAOYSA-N 0 0 400.887 4.702 50 0 HJAARN CCOC(=O)c1c(NC(=O)CN2CCCCC2)sc(C)c1-c1ccc(Cl)cc1 ZINC000004747125 559045454 /nfs/dbraw/zinc/04/54/54/559045454.db2.gz NNSLQOJIFLIQGA-UHFFFAOYSA-N 0 0 420.962 4.978 50 0 HJAARN COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CN1CCCCCC1 ZINC000004747800 559046057 /nfs/dbraw/zinc/04/60/57/559046057.db2.gz RQQMXJOEPGZHGF-UHFFFAOYSA-N 0 0 400.544 4.633 50 0 HJAARN COc1ccccc1CNC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O ZINC000004743827 559046301 /nfs/dbraw/zinc/04/63/01/559046301.db2.gz NGWKTMRBIURHJX-UHFFFAOYSA-N 0 0 419.477 4.722 50 0 HJAARN COc1ccc2[nH]c3c(ncnc3SCC(=O)Nc3cccc(Cl)c3C)c2c1 ZINC000033298751 559048042 /nfs/dbraw/zinc/04/80/42/559048042.db2.gz JNTGTIKOBPIVPV-UHFFFAOYSA-N 0 0 412.902 4.812 50 0 HJAARN Cc1ccc(-c2noc(CC3CCN(C(=O)Cc4ccc(Cl)cc4)CC3)n2)cc1 ZINC000033299172 559048364 /nfs/dbraw/zinc/04/83/64/559048364.db2.gz PGWXIOWADBEGDZ-UHFFFAOYSA-N 0 0 409.917 4.722 50 0 HJAARN Cc1c(-c2nsc(Nc3ccc(Cl)cc3)n2)nnn1-c1ccc(F)cc1F ZINC000033302146 559051177 /nfs/dbraw/zinc/05/11/77/559051177.db2.gz FULXBOZBFCSOKK-UHFFFAOYSA-N 0 0 404.833 4.769 50 0 HJAARN CCOc1ccc(Nc2nc(-c3nnn(-c4ccc(OCC)cc4)c3C)ns2)cc1 ZINC000033302094 559051184 /nfs/dbraw/zinc/05/11/84/559051184.db2.gz GVKBXFFWDDEBJM-UHFFFAOYSA-N 0 0 422.514 4.635 50 0 HJAARN CCc1ccc(Oc2cc(N3CCC(C(=O)N[C@H]4CCCC[C@@H]4C)CC3)ncn2)cc1 ZINC000033311972 559054659 /nfs/dbraw/zinc/05/46/59/559054659.db2.gz ZIKAISIEGXXOFF-AVRDEDQJSA-N 0 0 422.573 4.743 50 0 HJAARN Cc1cccc(C)c1OCCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccco1 ZINC000033317608 559056014 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COc1ccc(Br)c(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000011361676 559061689 /nfs/dbraw/zinc/06/16/89/559061689.db2.gz NTHGIAOYMJGLJY-UHFFFAOYSA-N 0 0 415.243 4.555 50 0 HJAARN COc1cccc(C(=O)Nc2nc(C)c(-c3nc(-c4ccc(C)cc4)no3)s2)c1 ZINC000033331353 559062368 /nfs/dbraw/zinc/06/23/68/559062368.db2.gz OBOSZLYFYAPAMX-UHFFFAOYSA-N 0 0 406.467 4.738 50 0 HJAARN Cc1ccc(CN2c3ccc(Cl)cc3[C@@](O)(CC(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000004784331 559063133 /nfs/dbraw/zinc/06/31/33/559063133.db2.gz OTBTXDVYMAVCBS-VWLOTQADSA-N 0 0 419.908 4.964 50 0 HJAARN COC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc(C)cc1 ZINC000004784730 559063536 /nfs/dbraw/zinc/06/35/36/559063536.db2.gz FQHCBTOCKJOUFN-RUZDIDTESA-N 0 0 410.473 4.862 50 0 HJAARN CCOc1ccc(-c2nn3c(nnc3C34CC5CC(CC(C5)C3)C4)s2)cc1OC ZINC000098086592 559065288 /nfs/dbraw/zinc/06/52/88/559065288.db2.gz HLEYCVZLFDWPSI-UHFFFAOYSA-N 0 0 410.543 4.728 50 0 HJAARN CCOc1ccccc1C(=O)Nc1c(-c2ccc(OC)cc2)nc2cc(C)ccn21 ZINC000004791005 559065616 /nfs/dbraw/zinc/06/56/16/559065616.db2.gz NHTCGAHEPACRCV-UHFFFAOYSA-N 0 0 401.466 4.969 50 0 HJAARN COc1cc(NC(=O)/C=C/c2ccc(OCc3csc(C)n3)cc2)cc(OC)c1 ZINC000011424371 559075684 /nfs/dbraw/zinc/07/56/84/559075684.db2.gz KZSKLNFGNCAVBJ-RMKNXTFCSA-N 0 0 410.495 4.700 50 0 HJAARN Cc1cc(=O)oc2cc(OC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)ccc12 ZINC000011426252 559075815 /nfs/dbraw/zinc/07/58/15/559075815.db2.gz RNFVLVXHQCUELZ-UHFFFAOYSA-N 0 0 411.360 4.573 50 0 HJAARN CCC1CCC(N(C(=O)Cn2c(C)csc2=O)[C@H](C)c2ccc(F)cc2)CC1 ZINC000072288050 559076238 /nfs/dbraw/zinc/07/62/38/559076238.db2.gz YDRQPRHUCGPOPO-ZRZPHAQCSA-N 0 0 404.551 4.916 50 0 HJAARN Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N2CCC(CCc3ccccc3)CC2)c1 ZINC000011453542 559077022 /nfs/dbraw/zinc/07/70/22/559077022.db2.gz KFEVWKUJMOWPTD-UHFFFAOYSA-N 0 0 420.582 4.788 50 0 HJAARN CC(C)(C)OC(=O)N1CCN(c2cccc(Br)c2C(F)(F)F)CC1 ZINC000095081638 559079268 /nfs/dbraw/zinc/07/92/68/559079268.db2.gz CZUOJTOFERHNOK-UHFFFAOYSA-N 0 0 409.246 4.525 50 0 HJAARN COc1ccc([C@H]2C[C@H](c3ccc(C)cc3)n3ncnc3N2C(=O)CC(C)C)cc1 ZINC000004816574 559113274 /nfs/dbraw/zinc/11/32/74/559113274.db2.gz FLFQELOVRNPQNR-FGZHOGPDSA-N 0 0 404.514 4.709 50 0 HJAARN COc1ccc([C@H]2C[C@@H](c3ccc(C)cc3)n3ncnc3N2C(=O)CC(C)C)cc1 ZINC000004816573 559113283 /nfs/dbraw/zinc/11/32/83/559113283.db2.gz FLFQELOVRNPQNR-YADHBBJMSA-N 0 0 404.514 4.709 50 0 HJAARN COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)N(C(=O)C(C)C)c3ncnn32)cc1 ZINC000004816784 559113567 /nfs/dbraw/zinc/11/35/67/559113567.db2.gz HJZYYPSHSVKLCO-VQTJNVASSA-N 0 0 410.905 4.664 50 0 HJAARN O=C(Nc1cccc(-c2ccc3nnc(-c4cccs4)n3n2)c1)c1ccc(F)cc1 ZINC000011613710 559114106 /nfs/dbraw/zinc/11/41/06/559114106.db2.gz OXSQUTLFAJUQKK-UHFFFAOYSA-N 0 0 415.453 4.911 50 0 HJAARN COc1ccc([C@H]2C[C@@H](c3ccccc3)N(C(=O)c3ccccc3)c3ncnn32)cc1 ZINC000004816748 559114469 /nfs/dbraw/zinc/11/44/69/559114469.db2.gz VEGAOXVSBYYXBE-XZOQPEGZSA-N 0 0 410.477 4.668 50 0 HJAARN CCCC(=O)N1c2ncnn2[C@@H](c2ccccc2Cl)C[C@H]1c1ccc(OC)cc1 ZINC000004816872 559114950 /nfs/dbraw/zinc/11/49/50/559114950.db2.gz GLJYUUNXRYBWRT-VQTJNVASSA-N 0 0 410.905 4.808 50 0 HJAARN O=C(NC[C@H]1Cc2cc(Oc3ccccc3)ccc2O1)c1ccccc1Br ZINC000023311863 559115208 /nfs/dbraw/zinc/11/52/08/559115208.db2.gz DSMPHIWALCCDKR-GOSISDBHSA-N 0 0 424.294 4.975 50 0 HJAARN Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)cc1 ZINC000023314241 559115845 /nfs/dbraw/zinc/11/58/45/559115845.db2.gz SPOABIBBNIGJLC-NVQXNPDNSA-N 0 0 414.549 4.696 50 0 HJAARN COc1ccc2c(c1)-c1onc(C(=O)N3CCC(Cc4ccccc4)CC3)c1CC2 ZINC000023317924 559117680 /nfs/dbraw/zinc/11/76/80/559117680.db2.gz RXTXJQSWYQWLLG-UHFFFAOYSA-N 0 0 402.494 4.544 50 0 HJAARN Cc1c(F)cccc1NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072926 559126431 /nfs/dbraw/zinc/12/64/31/559126431.db2.gz FTOWBIUFTHVAII-UHFFFAOYSA-N 0 0 412.202 4.716 50 0 HJAARN Cc1c(F)cccc1NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098072972 559126593 /nfs/dbraw/zinc/12/65/93/559126593.db2.gz RXNDYGMLSOXNJJ-UHFFFAOYSA-N 0 0 412.202 4.716 50 0 HJAARN Cc1cccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c1C ZINC000098073044 559126662 /nfs/dbraw/zinc/12/66/62/559126662.db2.gz YQWKBONJIDYKGA-UHFFFAOYSA-N 0 0 408.239 4.886 50 0 HJAARN Cc1ccc(C(=O)Nc2ccc(-c3ccc4nnc(-c5ccccn5)n4n3)cc2)cc1C ZINC000011665526 559143815 /nfs/dbraw/zinc/14/38/15/559143815.db2.gz LPMDEEDIQBXIJU-UHFFFAOYSA-N 0 0 420.476 4.722 50 0 HJAARN COc1cccc(OC)c1-c1ccc(-n2cncc2C(=O)NCCC(C)(C)C)cc1 ZINC000023323401 559145517 /nfs/dbraw/zinc/14/55/17/559145517.db2.gz OIIFJNRYBDDNFH-UHFFFAOYSA-N 0 0 407.514 4.723 50 0 HJAARN CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000014095595 559150717 /nfs/dbraw/zinc/15/07/17/559150717.db2.gz SUIDGJRXGWXMFB-JOCHJYFZSA-N 0 0 420.534 4.969 50 0 HJAARN COC(=O)c1cc(NC(=O)c2sccc2SC(F)F)ccc1Br ZINC000095460067 559154788 /nfs/dbraw/zinc/15/47/88/559154788.db2.gz UYKPXRHPTNVOBO-UHFFFAOYSA-N 0 0 422.272 4.864 50 0 HJAARN Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)N2CCCCC2)cc1 ZINC000011667454 559157286 /nfs/dbraw/zinc/15/72/86/559157286.db2.gz GQRXCAJCLGBWDF-UHFFFAOYSA-N 0 0 409.555 4.528 50 0 HJAARN COc1ccc(CCn2c(C)c(C(C)=O)sc2=Nc2ccc(C)cc2)cc1OC ZINC000100133826 559162867 /nfs/dbraw/zinc/16/28/67/559162867.db2.gz LHBDCUMRTZPLHT-WCWDXBQESA-N 0 0 410.539 4.861 50 0 HJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)[C@H](C)CC)c2)n(-c2ccc(OC)cc2)n1 ZINC000023336255 559172515 /nfs/dbraw/zinc/17/25/15/559172515.db2.gz FWYCIWDLSHVALC-MRXNPFEDSA-N 0 0 421.497 4.709 50 0 HJAARN CCOC(=O)c1cc(-c2ccccc2C)n(-c2ccc(C(=O)N3CCC[C@@H]3C)cc2)n1 ZINC000023336515 559172561 /nfs/dbraw/zinc/17/25/61/559172561.db2.gz WUGFYGUGHYNNNF-SFHVURJKSA-N 0 0 417.509 4.649 50 0 HJAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccs2)cc1 ZINC000023435202 559174071 /nfs/dbraw/zinc/17/40/71/559174071.db2.gz PLZPQBMWSSBRQL-JOCHJYFZSA-N 0 0 409.507 4.562 50 0 HJAARN COc1c(Br)cc(F)cc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000023513637 559176542 /nfs/dbraw/zinc/17/65/42/559176542.db2.gz CIZBOSKYNSYJNO-VIFPVBQESA-N 0 0 402.647 4.656 50 0 HJAARN Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3ccc4ccccc4n3)C2)n1 ZINC000220792876 559177055 /nfs/dbraw/zinc/17/70/55/559177055.db2.gz PICSJBKBZQELFM-GOSISDBHSA-N 0 0 412.493 4.688 50 0 HJAARN O=C(NCc1nc2ccccc2s1)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000050096011 559178761 /nfs/dbraw/zinc/17/87/61/559178761.db2.gz VQDAKHWCWLBPFY-UHFFFAOYSA-N 0 0 413.930 4.754 50 0 HJAARN CC(C)n1ncc2cc(C(=O)Nc3cccc(NC(=O)c4cccs4)c3)cnc21 ZINC000024029364 559188052 /nfs/dbraw/zinc/18/80/52/559188052.db2.gz PJRUQQOQYWRQNK-UHFFFAOYSA-N 0 0 405.483 4.578 50 0 HJAARN O=C(Cn1cc(-c2nnc(-c3ccccc3)o2)c2ccccc21)NCCc1ccccc1 ZINC000011695953 559188714 /nfs/dbraw/zinc/18/87/14/559188714.db2.gz OTLGXGSOQWXORR-UHFFFAOYSA-N 0 0 422.488 4.717 50 0 HJAARN Cc1ccc([C@@H]2c3cccn3CCN2S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000004854102 559192226 /nfs/dbraw/zinc/19/22/26/559192226.db2.gz GPWPVINVGCETOZ-XMMPIXPASA-N 0 0 402.519 4.744 50 0 HJAARN O=C(NC1CCCCC1)N1CCn2cccc2[C@@H]1c1ccc(Br)cc1 ZINC000004854377 559192279 /nfs/dbraw/zinc/19/22/79/559192279.db2.gz PCKXTNGCJDQHAX-IBGZPJMESA-N 0 0 402.336 4.698 50 0 HJAARN COc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(C)c(C)c2)cc1OC ZINC000004854511 559192393 /nfs/dbraw/zinc/19/23/93/559192393.db2.gz VCEZAXZXFSHXLJ-HSZRJFAPSA-N 0 0 405.498 4.759 50 0 HJAARN CCSc1nc2cc(OC)c(OC)cc2c(=N)n1Cc1cccc(C(F)(F)F)c1 ZINC000100325512 559194619 /nfs/dbraw/zinc/19/46/19/559194619.db2.gz BMYSUIOTRLXJOO-UHFFFAOYSA-N 0 0 423.460 4.712 50 0 HJAARN CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(C)C ZINC000004872654 559194674 /nfs/dbraw/zinc/19/46/74/559194674.db2.gz JUJZKJRUARUSDY-HKLCMNTNSA-N 0 0 410.602 4.824 50 0 HJAARN COc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccc(C)cc4)c3C)no2)cc1 ZINC000004880761 559196402 /nfs/dbraw/zinc/19/64/02/559196402.db2.gz GOEDFBIMCOWVFN-UHFFFAOYSA-N 0 0 416.481 4.773 50 0 HJAARN Cc1sc2c(c1C)c(=O)n(Cc1ccccc1)c(=O)n2Cc1c(C)cc(C)cc1C ZINC000004882620 559197376 /nfs/dbraw/zinc/19/73/76/559197376.db2.gz LRDVURNEMCHFRS-UHFFFAOYSA-N 0 0 418.562 4.863 50 0 HJAARN CC[C@@]1(C)N=C(c2ccc(Br)cc2)C(=S)N1C(=O)c1ccccc1 ZINC000004891922 559198628 /nfs/dbraw/zinc/19/86/28/559198628.db2.gz AFGUAVVBTDPPLF-IBGZPJMESA-N 0 0 401.329 4.848 50 0 HJAARN C[C@H]1CCCN(C(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)C1 ZINC000004904875 559200509 /nfs/dbraw/zinc/20/05/09/559200509.db2.gz UEWLAAUBYSDQRL-KRWDZBQOSA-N 0 0 405.542 4.871 50 0 HJAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2c(C)cccc2C)cc1 ZINC000004909447 559201333 /nfs/dbraw/zinc/20/13/33/559201333.db2.gz UMUXMACVVHMPIE-UHFFFAOYSA-N 0 0 400.478 4.768 50 0 aggregator HJAARN COc1ccc(Nc2cc(C(=O)NCc3ccco3)c3ccccc3n2)c(OC)c1 ZINC000004910037 559201560 /nfs/dbraw/zinc/20/15/60/559201560.db2.gz KBOPZZXCRGKMTI-UHFFFAOYSA-N 0 0 403.438 4.519 50 0 HJAARN Cc1cccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(C(C)(C)C)C2)c1C ZINC000004910791 559202435 /nfs/dbraw/zinc/20/24/35/559202435.db2.gz WZKNBUBOAMSIHF-IBGZPJMESA-N 0 0 405.542 4.847 50 0 HJAARN CCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1C)C(=O)CC ZINC000004911327 559202714 /nfs/dbraw/zinc/20/27/14/559202714.db2.gz KIDNOFFQLKLXGM-UHFFFAOYSA-N 0 0 412.578 4.764 50 0 HJAARN C[C@H](CNC(=O)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1)c1ccccc1 ZINC000004911704 559203538 /nfs/dbraw/zinc/20/35/38/559203538.db2.gz COSVTAOSUMIMIP-MRXNPFEDSA-N 0 0 402.523 4.784 50 0 HJAARN CCOc1ccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc1 ZINC000004915336 559203542 /nfs/dbraw/zinc/20/35/42/559203542.db2.gz JAYULHAUSGCINB-HSZRJFAPSA-N 0 0 402.450 4.581 50 0 HJAARN C[C@H](CCC(=O)NCCO)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118915773 559205507 /nfs/dbraw/zinc/20/55/07/559205507.db2.gz HENFUZBSUMHZKR-GBURMNQMSA-N 0 0 419.650 4.531 50 0 HJAARN Cc1nn(C)c(C)c1/C=C1\C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1O ZINC000118921900 559205829 /nfs/dbraw/zinc/20/58/29/559205829.db2.gz RPEZSVJLASPKQK-PWMBMSMZSA-N 0 0 410.602 4.715 50 0 HJAARN C[C@H](Sc1nnc(-c2ccco2)n1C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000004924060 559207651 /nfs/dbraw/zinc/20/76/51/559207651.db2.gz XQCBPJXQUUNUKI-HNNXBMFYSA-N 0 0 404.495 4.861 50 0 HJAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000004928852 559208602 /nfs/dbraw/zinc/20/86/02/559208602.db2.gz OMDUQRRMUBRFAN-JOCHJYFZSA-N 0 0 403.482 4.768 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)cc1 ZINC000004930953 559209681 /nfs/dbraw/zinc/20/96/81/559209681.db2.gz MRTVUNXFZQAXOP-UHFFFAOYSA-N 0 0 408.458 4.721 50 0 HJAARN COc1ccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)c(OC)c1 ZINC000004930943 559209703 /nfs/dbraw/zinc/20/97/03/559209703.db2.gz JFGYMOMULXRGHR-UHFFFAOYSA-N 0 0 411.458 4.780 50 0 HJAARN Cc1ccc(NC(=O)[C@H](CSCc2ccccc2)N2Cc3ccccc3C2=O)cc1 ZINC000004935039 559210127 /nfs/dbraw/zinc/21/01/27/559210127.db2.gz NVHSLAMXAXVHLG-QHCPKHFHSA-N 0 0 416.546 4.892 50 0 HJAARN Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)NCc1ccc(Cl)cc1 ZINC000004935195 559210134 /nfs/dbraw/zinc/21/01/34/559210134.db2.gz NCFKVIGBMMZRMJ-UHFFFAOYSA-N 0 0 418.928 4.916 50 0 HJAARN COc1ccccc1-c1cc2nc(C)c(CCC(=O)Nc3ccccc3C)c(C)n2n1 ZINC000004935701 559210541 /nfs/dbraw/zinc/21/05/41/559210541.db2.gz WKLYFAJUDCPNOR-UHFFFAOYSA-N 0 0 414.509 4.901 50 0 HJAARN CCn1c(=O)cc(SCC(=O)Nc2cc(C)c(Cl)cc2OC)c2ccccc21 ZINC000004936616 559211881 /nfs/dbraw/zinc/21/18/81/559211881.db2.gz FLNOXEHSYYOHEI-UHFFFAOYSA-N 0 0 416.930 4.723 50 0 HJAARN COc1ccccc1Cn1cc(C(=O)c2ccc(C)cc2)c(=O)c2cc(F)ccc21 ZINC000004937162 559212122 /nfs/dbraw/zinc/21/21/22/559212122.db2.gz UIXOFFMPSKWEQH-UHFFFAOYSA-N 0 0 401.437 4.737 50 0 HJAARN COc1ccc(C(=O)c2cn(Cc3cccc(C)c3)c3ccc(OC)cc3c2=O)cc1 ZINC000004937121 559212137 /nfs/dbraw/zinc/21/21/37/559212137.db2.gz HURNHHMLDGCXTR-UHFFFAOYSA-N 0 0 413.473 4.606 50 0 HJAARN Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)n1C ZINC000004947920 559214619 /nfs/dbraw/zinc/21/46/19/559214619.db2.gz LZHRZSXXNMAKHU-LLVKDONJSA-N 0 0 410.421 4.522 50 0 HJAARN CCOC(=O)N1CCC(N2C(=O)c3ccccc3[C@H]2Nc2ccc(Cl)cc2)CC1 ZINC000004991947 559224840 /nfs/dbraw/zinc/22/48/40/559224840.db2.gz BRZOWPCOUUHCTG-FQEVSTJZSA-N 0 0 413.905 4.527 50 0 HJAARN CCOC(=O)N1CCC(N2C(=O)c3ccccc3[C@@H]2Nc2ccccc2Cl)CC1 ZINC000004991951 559224875 /nfs/dbraw/zinc/22/48/75/559224875.db2.gz FCSSUYZIJTYVCX-HXUWFJFHSA-N 0 0 413.905 4.527 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(NCc2ccccc2)s1 ZINC000004997399 559226088 /nfs/dbraw/zinc/22/60/88/559226088.db2.gz INQALKUPOBPPLQ-UHFFFAOYSA-N 0 0 404.948 4.843 50 0 HJAARN COc1cccc(-c2nn(C)c3sc(C(=O)NCCc4cccc(C)c4)cc23)c1 ZINC000005007307 559227626 /nfs/dbraw/zinc/22/76/26/559227626.db2.gz ZSUXNPAGHXWVGM-UHFFFAOYSA-N 0 0 405.523 4.591 50 0 HJAARN Cc1ccc(C(=O)N/C(=C\c2ccccc2Cl)C(=O)NCc2ccccc2)cc1 ZINC000005009884 559227873 /nfs/dbraw/zinc/22/78/73/559227873.db2.gz KQHFVCKIQOOBCN-JCMHNJIXSA-N 0 0 404.897 4.736 50 0 HJAARN Nc1c(C(=O)OCc2ccccc2)c2nc3ccccc3nc2n1-c1cccc(F)c1 ZINC000005030800 559230863 /nfs/dbraw/zinc/23/08/63/559230863.db2.gz ULHLXVOHJGSOTI-UHFFFAOYSA-N 0 0 412.424 4.652 50 0 HJAARN C[C@@H]1CCCN(CC(=O)Nc2sc3ccccc3c(=O)c2-c2ccc(F)cc2)C1 ZINC000005030971 559230922 /nfs/dbraw/zinc/23/09/22/559230922.db2.gz WJVSQCGOLIVPSF-OAHLLOKOSA-N 0 0 410.514 4.738 50 0 HJAARN Cc1ccc(S(=O)(=O)N2CN(C3CCCCC3)c3nc4ccccc4nc32)cc1C ZINC000005030215 559231215 /nfs/dbraw/zinc/23/12/15/559231215.db2.gz VFWCJZFRVWAYJG-UHFFFAOYSA-N 0 0 422.554 4.552 50 0 HJAARN COc1cccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2OC)c1 ZINC000005035316 559232980 /nfs/dbraw/zinc/23/29/80/559232980.db2.gz DJNAHNNTHKARCP-UHFFFAOYSA-N 0 0 416.433 4.955 50 0 HJAARN COc1cccc(-c2nc(CSCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c(C)o2)c1 ZINC000005057038 559237852 /nfs/dbraw/zinc/23/78/52/559237852.db2.gz CKEKSWPZWUPPHY-ZRGWGRIASA-N 0 0 402.560 4.833 50 0 HJAARN CC(C)(C)c1ccc(C(=O)N(c2cccc(Cl)c2)[C@@H]2C=CS(=O)(=O)C2)cc1 ZINC000005070685 559241219 /nfs/dbraw/zinc/24/12/19/559241219.db2.gz MUNKCNHYKRBZFL-LJQANCHMSA-N 0 0 403.931 4.595 50 0 HJAARN CC(C)Cn1c2ccccc2nc1SCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C ZINC000005071489 559241510 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/nfs/dbraw/zinc/73/40/74/560734074.db2.gz GLUSJSRXRODEHI-UHFFFAOYSA-N 0 0 407.499 4.509 50 0 HJAARN COC(=O)NC(=S)Nc1ccc(Oc2ccc(Br)cc2)c(Cl)c1 ZINC000003149679 560739941 /nfs/dbraw/zinc/73/99/41/560739941.db2.gz AUYAEUKZNWSVQX-UHFFFAOYSA-N 0 0 415.696 4.948 50 0 HJAARN CCn1cc(C(=O)CSc2nnc(Cc3ccccc3)n2CC)c2ccccc21 ZINC000007459115 560751057 /nfs/dbraw/zinc/75/10/57/560751057.db2.gz XVSVPNJLCJMJGZ-UHFFFAOYSA-N 0 0 404.539 4.838 50 0 HJAARN O=C(Nc1ccccc1Cl)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000207017187 560756007 /nfs/dbraw/zinc/75/60/07/560756007.db2.gz LKFIGELWTKYNNQ-ZDUSSCGKSA-N 0 0 402.907 4.938 50 0 HJAARN CC(=O)Nc1cccc(C2=Nc3ncnn3[C@H](c3ccc(Cl)cc3Cl)C2)c1 ZINC000100834957 560759640 /nfs/dbraw/zinc/75/96/40/560759640.db2.gz NAKBCRUSWPQIJU-SFHVURJKSA-N 0 0 400.269 4.599 50 0 HJAARN CC(C)Cn1c(SCC(=O)Nc2ccccc2O)nnc1-c1ccc(Cl)cc1 ZINC000009615084 560760035 /nfs/dbraw/zinc/76/00/35/560760035.db2.gz BINHXLMSKPWJMM-UHFFFAOYSA-N 0 0 416.934 4.691 50 0 HJAARN O=C1C[C@H](Sc2ccc(Cl)cc2)C(=O)N1c1ccc(OC(F)(F)F)cc1 ZINC000100932742 560763557 /nfs/dbraw/zinc/76/35/57/560763557.db2.gz ATEMKCZJJCPQOL-AWEZNQCLSA-N 0 0 401.793 4.663 50 0 HJAARN Cc1noc(C)c1COc1ccc(CC(=O)OCCOc2ccc(Cl)cc2)cc1 ZINC000005678549 560776817 /nfs/dbraw/zinc/77/68/17/560776817.db2.gz VHMPFPVTTDSVMU-UHFFFAOYSA-N 0 0 415.873 4.689 50 0 HJAARN O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)c1ccc(C2CCCCC2)cc1 ZINC000005679831 560778840 /nfs/dbraw/zinc/77/88/40/560778840.db2.gz OXMHZXMGOGWCMM-XMMPIXPASA-N 0 0 422.550 4.762 50 0 HJAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N(C)Cc1ccc2c(c1)OCO2 ZINC000018156701 560780430 /nfs/dbraw/zinc/78/04/30/560780430.db2.gz ZDGWTRXGSNILJY-UHFFFAOYSA-N 0 0 400.887 4.773 50 0 HJAARN COc1ccc(-c2c(NC(=O)c3ccco3)oc3c(C)cccc3c2=O)cc1OC ZINC000101192240 560789017 /nfs/dbraw/zinc/78/90/17/560789017.db2.gz LHLNWSZPIRZNGP-UHFFFAOYSA-N 0 0 405.406 4.631 50 0 HJAARN COc1ccc(OC)c(NC=C2c3ccccc3C(=O)N(c3ccc(C)cc3)C2=O)c1 ZINC000101189158 560789040 /nfs/dbraw/zinc/78/90/40/560789040.db2.gz RKDQLWZLTXISTQ-QNGOZBTKSA-N 0 0 414.461 4.652 50 0 HJAARN CCCC(=O)Nc1oc2c(C)cccc2c(=O)c1-c1cc(OC)c(OC)c(OC)c1 ZINC000101192258 560789211 /nfs/dbraw/zinc/78/92/11/560789211.db2.gz GMDDZILCCHIIHC-UHFFFAOYSA-N 0 0 411.454 4.533 50 0 biogenic HJAARN CCCCc1ccc(N2C(=O)[C@H]3ON=C(c4ccc(Cl)cc4Cl)C3=C2O)cc1 ZINC000101278603 560790408 /nfs/dbraw/zinc/79/04/08/560790408.db2.gz VIVPJXUFFPSJCD-MJGOQNOKSA-N 0 0 417.292 4.629 50 0 HJAARN COc1cccc(CC(=O)Nc2c(=O)oc3ccccc3c2NC2CCCCC2)c1 ZINC000101368258 560792818 /nfs/dbraw/zinc/79/28/18/560792818.db2.gz KVOBMXDXCCPEPN-UHFFFAOYSA-N 0 0 406.482 4.727 50 0 HJAARN CCc1ccccc1NC(=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1 ZINC000013137360 560801863 /nfs/dbraw/zinc/80/18/63/560801863.db2.gz AWMRUAGDZXWIQD-HKWRFOASSA-N 0 0 401.495 4.601 50 0 HJAARN Cc1nc(-n2[n-]c(C)c(Cc3ccccc3)c2=O)sc1C(=O)Nc1ccccc1F ZINC000101832293 560802892 /nfs/dbraw/zinc/80/28/92/560802892.db2.gz WQWCUPUSCZDQCC-UHFFFAOYSA-N 0 0 422.485 4.633 50 0 HJAARN Cc1ccc(C2=Nc3nc(NC(=O)CC(C)C)nn3[C@H](c3ccc(C)cc3)C2)cc1 ZINC000101835978 560803468 /nfs/dbraw/zinc/80/34/68/560803468.db2.gz JNDGYEOPMYGEOO-NRFANRHFSA-N 0 0 401.514 4.936 50 0 HJAARN CCOc1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ncnn32)cc1OC ZINC000102606849 560817886 /nfs/dbraw/zinc/81/78/86/560817886.db2.gz RIMSCSPMGBPCQV-UZUQRXQVSA-N 0 0 416.481 4.751 50 0 HJAARN CCOc1cc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCC)nn32)ccc1O ZINC000102661417 560819276 /nfs/dbraw/zinc/81/92/76/560819276.db2.gz HEUVIMOXGDTZIZ-GOSISDBHSA-N 0 0 414.531 4.802 50 0 HJAARN COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4C)CC3=Nc3ncnn32)cc1OC ZINC000102662140 560819320 /nfs/dbraw/zinc/81/93/20/560819320.db2.gz WAJRZZRHUWXUKC-WAIKUNEKSA-N 0 0 416.481 4.669 50 0 HJAARN O=C1CCCC2=Nc3nc(SCc4ccccc4)nn3[C@H](c3cccc(O)c3)C12 ZINC000102673328 560819556 /nfs/dbraw/zinc/81/95/56/560819556.db2.gz DMSYZEZKTUZZDW-HXUWFJFHSA-N 0 0 404.495 4.948 50 0 HJAARN Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3cccc(Cl)c3)[C@H]2C1=O ZINC000102729687 560822222 /nfs/dbraw/zinc/82/22/22/560822222.db2.gz FSNRYIANYKCYPE-BHIFYINESA-N 0 0 418.880 4.700 50 0 HJAARN CCc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(C)cc4)[C@@H]3C2=O)cc1 ZINC000102717594 560823439 /nfs/dbraw/zinc/82/34/39/560823439.db2.gz GRYBUPGQWXZFDB-RBZQAINGSA-N 0 0 412.489 4.609 50 0 HJAARN COc1ccc([C@H]2CC(=O)C3C(=Nc4nonc4N[C@H]3c3cccc(OC)c3)C2)cc1 ZINC000102748333 560824264 /nfs/dbraw/zinc/82/42/64/560824264.db2.gz HGECIMUPRWYNOT-VFNWGFHPSA-N 0 0 418.453 4.716 50 0 HJAARN C[C@@H]1C[C@@H](C)C[NH+]([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2)C1 ZINC000102894116 560833078 /nfs/dbraw/zinc/83/30/78/560833078.db2.gz UXNTVZZJUCUIIL-IIDMSEBBSA-N 0 0 408.527 4.824 50 0 HJAARN Cc1ccccc1N1Oc2c(O)n(-c3ccc(Cl)cc3)c(O)c2[C@@H]1c1cccs1 ZINC000102912285 560835366 /nfs/dbraw/zinc/83/53/66/560835366.db2.gz QZCDVQBDBIBHHP-UFYCRDLUSA-N 0 0 424.909 4.761 50 0 HJAARN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)N2CCC[C@H](C)C2)[C@@H]1c1cccs1 ZINC000103726737 560844093 /nfs/dbraw/zinc/84/40/93/560844093.db2.gz CRLNUYRLVFEARY-HSQYWUDLSA-N 0 0 410.583 4.943 50 0 HJAARN O=C(Nc1cccc(Cl)c1)[C@@H]1CCN(c2cccc(OCc3ccccc3)c2)C1=O ZINC000096281393 560848509 /nfs/dbraw/zinc/84/85/09/560848509.db2.gz SBPGGKLBBSNVQX-QFIPXVFZSA-N 0 0 420.896 4.911 50 0 HJAARN CSc1nc2sc3c(c2c(SCC(=O)NC2CCCCC2)n1)CCCC3 ZINC000006470863 560870896 /nfs/dbraw/zinc/87/08/96/560870896.db2.gz ZSGGAYAXJITINN-UHFFFAOYSA-N 0 0 407.630 4.833 50 0 HJAARN CSCC[C@H](NC(=O)COc1ccc2ccccc2c1)c1nc2ccccc2[nH]1 ZINC000006506194 560876296 /nfs/dbraw/zinc/87/62/96/560876296.db2.gz KGEMTJZFHFSFCB-NRFANRHFSA-N 0 0 405.523 4.706 50 0 HJAARN O=C([C@H]1CCCN(c2ncccc2C(F)(F)F)C1)N1CCC[C@@H]1c1ccsc1 ZINC000046914530 560879289 /nfs/dbraw/zinc/87/92/89/560879289.db2.gz QGZOJZOHDLBUKU-WMLDXEAASA-N 0 0 409.477 4.742 50 0 HJAARN Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=C1\N=C(c2ccccc2)OC1=O ZINC000003175388 560886436 /nfs/dbraw/zinc/88/64/36/560886436.db2.gz NNMXTYUWNQCYJB-XLNRJJMWSA-N 0 0 412.493 4.516 50 0 HJAARN CCOc1ccc(CN(Cc2nc(C(=O)N[C@H](C)CC)co2)[C@H](C)C(C)C)cc1 ZINC000106679616 560893014 /nfs/dbraw/zinc/89/30/14/560893014.db2.gz YPFOFADEDULNQX-QZTJIDSGSA-N 0 0 401.551 4.648 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)c2cc(C(C)C)n(-c3nc4ccccc4s3)n2)cc1 ZINC000012223577 560893786 /nfs/dbraw/zinc/89/37/86/560893786.db2.gz LUQNCQGLTITEFD-UHFFFAOYSA-N 0 0 419.510 4.816 50 0 HJAARN O=C(NCc1ccc(C(=O)c2ccsc2)s1)c1cccc(Br)c1 ZINC000211084612 560894839 /nfs/dbraw/zinc/89/48/39/560894839.db2.gz SNVOOEHRYUFKLE-UHFFFAOYSA-N 0 0 406.326 4.733 50 0 HJAARN CC(=O)N(c1nc(CN2CCN(C)C[C@H]2c2ccccc2)cs1)c1ccc(C)cc1 ZINC000107530801 560896805 /nfs/dbraw/zinc/89/68/05/560896805.db2.gz UYFWCWJCQVDDDO-QHCPKHFHSA-N 0 0 420.582 4.625 50 0 HJAARN O=C(Nc1ccc(I)cc1)Nc1cccc(Br)c1 ZINC000051354352 568421347 /nfs/dbraw/zinc/42/13/47/568421347.db2.gz HMOATVXCPIHISN-UHFFFAOYSA-N 0 0 417.044 4.698 50 0 HJAARN COC(=O)c1ccc([C@H]2C(c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000045941932 568422210 /nfs/dbraw/zinc/42/22/10/568422210.db2.gz SGACITKOFPCPIY-QHCPKHFHSA-N 0 0 413.473 4.834 50 0 HJAARN COc1ccc(C2C(=O)C(=O)N(Cc3cccc(OC)c3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000045941636 568422216 /nfs/dbraw/zinc/42/22/16/568422216.db2.gz ZBOVPZUGQNJTRU-HSZRJFAPSA-N 0 0 419.452 4.896 50 0 HJAARN COc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3cccc(C)c3)n2)cc1 ZINC000046012233 568423410 /nfs/dbraw/zinc/42/34/10/568423410.db2.gz IPWUMAPHTFHEBM-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN CCOc1ccc(NC(=O)[C@H]2CCCN(C(=O)Cc3cccc4ccccc43)C2)cc1 ZINC000046045110 568425045 /nfs/dbraw/zinc/42/50/45/568425045.db2.gz YSLKKUUAWRTXDX-NRFANRHFSA-N 0 0 416.521 4.658 50 0 HJAARN Cc1ccc(C)c(NC(=O)[C@@H]2CCCN(C(=O)Cc3cccc4ccccc43)C2)c1 ZINC000046045138 568425093 /nfs/dbraw/zinc/42/50/93/568425093.db2.gz AUFBYYBBRCUODM-JOCHJYFZSA-N 0 0 400.522 4.876 50 0 HJAARN CCOc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)cc1 ZINC000046056624 568425893 /nfs/dbraw/zinc/42/58/93/568425893.db2.gz WYXLSBNMCOODPF-SFHVURJKSA-N 0 0 423.900 4.850 50 0 HJAARN CCCOc1ccc(C(=O)[C@H]2CC(=O)Nc3c2c(C)nn3-c2cc(C)cc(C)c2)cc1 ZINC000046056649 568425906 /nfs/dbraw/zinc/42/59/06/568425906.db2.gz FGRCWVWEGWZWRH-NRFANRHFSA-N 0 0 417.509 4.895 50 0 HJAARN CCS(=O)(=O)N(C)c1ccc2sc(C(=O)Nc3ccccc3SC)cc2c1 ZINC000046058426 568426453 /nfs/dbraw/zinc/42/64/53/568426453.db2.gz KJLQOXFQYKKMFW-UHFFFAOYSA-N 0 0 420.581 4.661 50 0 HJAARN CC[C@@H](C)NC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(C)cc3)ccc2s1 ZINC000046058573 568426496 /nfs/dbraw/zinc/42/64/96/568426496.db2.gz GBMRIAHHEMBEHZ-OAHLLOKOSA-N 0 0 416.568 4.563 50 0 HJAARN CCCN(CCC)S(=O)(=O)c1ccc2c(c1)C(=O)Nc1cc(Cl)ccc1O2 ZINC000046077434 568427383 /nfs/dbraw/zinc/42/73/83/568427383.db2.gz BRJGQXIWOIWIQM-UHFFFAOYSA-N 0 0 408.907 4.509 50 0 HJAARN CC(C)c1ccc(NC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)c(C(C)C)c1 ZINC000047851487 568431431 /nfs/dbraw/zinc/43/14/31/568431431.db2.gz NPXHCZFIQFVGQY-UHFFFAOYSA-N 0 0 417.575 4.505 50 0 HJAARN O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364602 568438530 /nfs/dbraw/zinc/43/85/30/568438530.db2.gz HUAXGGKVSUAOJX-GOSISDBHSA-N 0 0 412.411 4.542 50 0 HJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(Cc1cccc3c1OCCO3)CC2 ZINC000048325816 568438846 /nfs/dbraw/zinc/43/88/46/568438846.db2.gz WWQUGFPZOYYJQR-HSZRJFAPSA-N 0 0 423.534 4.684 50 0 HJAARN Cc1oc(-c2ccccc2)nc1C(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000048312759 568438976 /nfs/dbraw/zinc/43/89/76/568438976.db2.gz HLKVLLWANYFECA-NRFANRHFSA-N 0 0 406.482 4.938 50 0 HJAARN C[C@H]1CCc2c(sc3nc(-c4cccnc4)nc(N(C)Cc4ccccn4)c23)C1 ZINC000048313149 568439147 /nfs/dbraw/zinc/43/91/47/568439147.db2.gz JBQZZBYMDOYHLX-HNNXBMFYSA-N 0 0 401.539 4.910 50 0 HJAARN C[C@@H]1CCc2c(sc3nc(-c4cccnc4)nc(N(C)Cc4ccccn4)c23)C1 ZINC000048313147 568439204 /nfs/dbraw/zinc/43/92/04/568439204.db2.gz JBQZZBYMDOYHLX-OAHLLOKOSA-N 0 0 401.539 4.910 50 0 HJAARN C[C@@H](Sc1nc2cc(Cl)ccc2n1C)C(=O)Nc1ccccc1OC(F)F ZINC000048340220 568440259 /nfs/dbraw/zinc/44/02/59/568440259.db2.gz QTBRSRZNVJIIQU-SNVBAGLBSA-N 0 0 411.861 4.947 50 0 HJAARN O=C(c1cccc(CS(=O)(=O)c2ccccc2)c1)N1CCCSc2ccccc21 ZINC000048375034 568442320 /nfs/dbraw/zinc/44/23/20/568442320.db2.gz HDHCUDFPHKJSAP-UHFFFAOYSA-N 0 0 423.559 4.803 50 0 HJAARN COc1ccc(OCCN(C)C(=O)Nc2c(C)cc(Br)cc2C)cc1 ZINC000048465170 568442979 /nfs/dbraw/zinc/44/29/79/568442979.db2.gz BIURVTUXBFHNQR-UHFFFAOYSA-N 0 0 407.308 4.617 50 0 HJAARN CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc2c(c1)OCO2 ZINC000049005107 568444395 /nfs/dbraw/zinc/44/43/95/568444395.db2.gz LCEWFOYIWCLYDE-KRWDZBQOSA-N 0 0 418.497 4.815 50 0 HJAARN COc1cc(Nc2c(C(=O)N3CCCC[C@@H]3C)cnc3nc(C)ccc32)cc(OC)c1 ZINC000049005284 568444503 /nfs/dbraw/zinc/44/45/03/568444503.db2.gz UTOJYQDCZYYWLQ-INIZCTEOSA-N 0 0 420.513 4.714 50 0 HJAARN O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2 ZINC000012249806 568455952 /nfs/dbraw/zinc/45/59/52/568455952.db2.gz WYMXTVHABRLACX-UHFFFAOYSA-N 0 0 418.396 4.866 50 0 HJAARN COc1ccc(NC[C@H]2[C@@H](Oc3ccc(Cl)cc3)C(=O)N2c2ccccc2C)cc1 ZINC000006745485 568459129 /nfs/dbraw/zinc/45/91/29/568459129.db2.gz UJNWGDLPKFIPSV-XZOQPEGZSA-N 0 0 422.912 4.932 50 0 HJAARN CS(=O)(=O)N(CC(=O)Nc1cc(Cl)cc(Cl)c1)c1cccc2ccccc21 ZINC000000654300 568459915 /nfs/dbraw/zinc/45/99/15/568459915.db2.gz JNJYZURRCIRZKI-UHFFFAOYSA-N 0 0 423.321 4.551 50 0 HJAARN CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)Cc1ccc(F)cc1 ZINC000000668530 568460458 /nfs/dbraw/zinc/46/04/58/568460458.db2.gz VNIASHSPCCVAIN-UHFFFAOYSA-N 0 0 413.470 4.921 50 0 HJAARN COc1ccc(C(=O)CSc2nnc(-c3ccccc3O)n2-c2ccccc2)cc1 ZINC000000689352 568461905 /nfs/dbraw/zinc/46/19/05/568461905.db2.gz FRNAKBSDSQIMFV-UHFFFAOYSA-N 0 0 417.490 4.624 50 0 HJAARN CCOc1nc(-c2ccc(C)cc2)n(-c2ccc(NC(=O)Cc3ccccc3)cc2)n1 ZINC000000693652 568462322 /nfs/dbraw/zinc/46/23/22/568462322.db2.gz CZRMQRXVXUNMTK-UHFFFAOYSA-N 0 0 412.493 4.823 50 0 HJAARN COc1nc(-c2ccccc2C)n(-c2ccc(NC(=O)c3cccc(OC)c3)cc2)n1 ZINC000000696867 568462349 /nfs/dbraw/zinc/46/23/49/568462349.db2.gz QBVXVEGRGSOPQS-UHFFFAOYSA-N 0 0 414.465 4.512 50 0 HJAARN CCOc1nc(-c2cccc(C(F)(F)F)c2)n(-c2ccc(NC(=O)CC)cc2)n1 ZINC000000698403 568462404 /nfs/dbraw/zinc/46/24/04/568462404.db2.gz HIXHUYWQAZTWPP-UHFFFAOYSA-N 0 0 404.392 4.700 50 0 HJAARN CN(Cc1ccccc1)C(=O)c1cnn2c1N[C@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000000709168 568463666 /nfs/dbraw/zinc/46/36/66/568463666.db2.gz SSCYQUITHMYSFI-DOTOQJQBSA-N 0 0 420.460 4.877 50 0 HJAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000000732245 568469918 /nfs/dbraw/zinc/46/99/18/568469918.db2.gz QETQSBCAKPICAE-UHFFFAOYSA-N 0 0 422.460 4.943 50 0 HJAARN Cc1cc(C)c(NC(=O)[C@@H](C)N(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000007266725 568479419 /nfs/dbraw/zinc/47/94/19/568479419.db2.gz IYQIVYMBPWUHMJ-OAHLLOKOSA-N 0 0 422.356 4.816 50 0 HJAARN COc1cc(C(=O)Oc2ccc(-c3cnc4ccccc4n3)cc2)cc(OC)c1OC ZINC000000797338 568482634 /nfs/dbraw/zinc/48/26/34/568482634.db2.gz YPAITLQVNQPXTB-UHFFFAOYSA-N 0 0 416.433 4.542 50 0 HJAARN Cc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc(F)cc3)n3ccccc23)cc1C ZINC000012342009 568483293 /nfs/dbraw/zinc/48/32/93/568483293.db2.gz KYBZBYZGGGAICI-UHFFFAOYSA-N 0 0 401.441 4.761 50 0 HJAARN Nc1c(C(=O)Nc2ccc(F)cc2)c2ccccn2c1C(=O)c1ccc(Cl)cc1 ZINC000012342170 568484142 /nfs/dbraw/zinc/48/41/42/568484142.db2.gz CYSKGDPFGNNRRC-UHFFFAOYSA-N 0 0 407.832 4.797 50 0 HJAARN COc1ccc([C@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3ncnn32)cc1OC ZINC000000803092 568485683 /nfs/dbraw/zinc/48/56/83/568485683.db2.gz UYHGBEIZHCDFHG-JKSUJKDBSA-N 0 0 405.285 4.748 50 0 HJAARN COc1ccc([C@@H]2C[C@H](c3ccc(Cl)c(Cl)c3)Nc3ncnn32)cc1OC ZINC000000803095 568485704 /nfs/dbraw/zinc/48/57/04/568485704.db2.gz UYHGBEIZHCDFHG-CVEARBPZSA-N 0 0 405.285 4.748 50 0 HJAARN COc1cc(-c2oc3cc4c(cc3c2-c2cc3c(cc2O)OCO3)OCO4)ccc1O ZINC000604404017 568492308 /nfs/dbraw/zinc/49/23/08/568492308.db2.gz IGXBRFNSSJPPCY-UHFFFAOYSA-N 0 0 420.373 4.644 50 0 biogenic HJAARN COc1ccc(-c2ccc(-c3noc(-c4cc(OC)cc(OC)c4)n3)c(OC)n2)cc1 ZINC000000812425 568495011 /nfs/dbraw/zinc/49/50/11/568495011.db2.gz UTGXXVFUEJJDGW-UHFFFAOYSA-N 0 0 419.437 4.500 50 0 HJAARN CCOC(=O)Nc1cccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1 ZINC000008280689 568496328 /nfs/dbraw/zinc/49/63/28/568496328.db2.gz GBGXUTBVIQEHBH-UHFFFAOYSA-N 0 0 406.467 4.884 50 0 HJAARN O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)Nc1cccc2ccccc21 ZINC000031661977 568505246 /nfs/dbraw/zinc/50/52/46/568505246.db2.gz SEWUPAQKDBOMKR-JOCHJYFZSA-N 0 0 409.917 4.688 50 0 HJAARN CCOC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(CC)cc1 ZINC000220969201 568509288 /nfs/dbraw/zinc/50/92/88/568509288.db2.gz FTUSECILFMQSEN-UHFFFAOYSA-N 0 0 401.919 4.805 50 0 HJAARN O=S(=O)(c1cccs1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1Cl ZINC000012361539 568509524 /nfs/dbraw/zinc/50/95/24/568509524.db2.gz FHPWDYVXXBWYQG-KRWDZBQOSA-N 0 0 413.351 4.650 50 0 HJAARN Cc1ccc(Cn2c(CCNC(=O)Nc3ccccc3Cl)nc3cccnc32)cc1 ZINC000033025481 568510519 /nfs/dbraw/zinc/51/05/19/568510519.db2.gz KQQPVSFWSAWQTM-UHFFFAOYSA-N 0 0 419.916 4.806 50 0 HJAARN O=C(NCCC1=CCCCC1)[C@@H]1CCCN(c2nccnc2Sc2ccccc2)C1 ZINC000033168838 568511528 /nfs/dbraw/zinc/51/15/28/568511528.db2.gz ZJIBIZYRKBBWMR-HXUWFJFHSA-N 0 0 422.598 4.851 50 0 HJAARN CCc1cc(Sc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)n2nc(C)nc2n1 ZINC000033276003 568512582 /nfs/dbraw/zinc/51/25/82/568512582.db2.gz UAKIPAAQXMQWRK-UHFFFAOYSA-N 0 0 422.489 4.929 50 0 HJAARN COc1cccc(CNC(=O)c2ccc(Nc3cc(-c4ccccc4)ncn3)cc2)c1 ZINC000033261362 568512979 /nfs/dbraw/zinc/51/29/79/568512979.db2.gz ZUYLHQVPAGFGDP-UHFFFAOYSA-N 0 0 410.477 4.826 50 0 biogenic HJAARN Cc1c(C(=O)Nc2cccc(-c3nnco3)c2)sc2nc(C(C)(C)C)nc(C)c12 ZINC000024739347 568513191 /nfs/dbraw/zinc/51/31/91/568513191.db2.gz WSSKARHODOIKNP-UHFFFAOYSA-N 0 0 407.499 4.908 50 0 HJAARN Cc1ccc(Cn2c3ccsc3c(=O)n(-c3cccc(C(F)(F)F)c3)c2=O)cc1 ZINC000020138995 568590322 /nfs/dbraw/zinc/59/03/22/568590322.db2.gz SYNWCKPOCUVVQW-UHFFFAOYSA-N 0 0 416.424 4.589 50 0 HJAARN O=C(c1ccc(F)cc1Cl)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 ZINC000390830832 568592100 /nfs/dbraw/zinc/59/21/00/568592100.db2.gz NSTFCENUWJFWKV-UHFFFAOYSA-N 0 0 403.807 4.779 50 0 HJAARN COc1ccc(NC(=O)CSc2cc(=O)n(C)c3cc(Cl)ccc23)cc1Cl ZINC000020234264 568595333 /nfs/dbraw/zinc/59/53/33/568595333.db2.gz GTZAXAGYSSVHTA-UHFFFAOYSA-N 0 0 423.321 4.585 50 0 HJAARN COc1cccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(Br)cc2)c1 ZINC000020319698 568598571 /nfs/dbraw/zinc/59/85/71/568598571.db2.gz TWYKFGBQNTWAKX-LJQANCHMSA-N 0 0 410.271 4.624 50 0 HJAARN Clc1ccc(-c2noc3ncnc(N(Cc4ccco4)C[C@@H]4CCCO4)c32)cc1 ZINC000020330029 568599169 /nfs/dbraw/zinc/59/91/69/568599169.db2.gz HTQXGPVVDDDYSY-KRWDZBQOSA-N 0 0 410.861 4.717 50 0 HJAARN COc1ccc2[nH]c(=O)c(C=C3SC(=O)N=C3Nc3cccc(Cl)c3)cc2c1 ZINC000080336945 568601965 /nfs/dbraw/zinc/60/19/65/568601965.db2.gz OJWHVOHPPHOCMU-RQZCQDPDSA-N 0 0 411.870 4.908 50 0 HJAARN Cc1ccc(CN2C(=O)c3ccccc3C[C@@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000020386877 568603474 /nfs/dbraw/zinc/60/34/74/568603474.db2.gz YNAPTWOWAJRYQE-SANMLTNESA-N 0 0 404.554 4.791 50 0 HJAARN Cc1cc2oc(=O)cc(CN3CCN(C/C=C/c4ccccc4)CC3)c2cc1Cl ZINC000020412538 568605785 /nfs/dbraw/zinc/60/57/85/568605785.db2.gz KNUVHGRQBBVDFI-VMPITWQZSA-N 0 0 408.929 4.586 50 0 HJAARN O=C(NCCCc1cccc(F)c1)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O ZINC000095418262 568607044 /nfs/dbraw/zinc/60/70/44/568607044.db2.gz XQDLNCHKKHYTRF-UHFFFAOYSA-N 0 0 416.855 4.631 50 0 HJAARN CC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)nc1Nc1cccc2ncccc21 ZINC000020446775 568608577 /nfs/dbraw/zinc/60/85/77/568608577.db2.gz ZTVXGIPFQCMIFT-UHFFFAOYSA-N 0 0 413.359 4.660 50 0 HJAARN CC(C)CC(=O)Nc1cccc(CNCc2cccnc2NC(=O)OC(C)(C)C)c1 ZINC000095435780 568609649 /nfs/dbraw/zinc/60/96/49/568609649.db2.gz POANUUZDECQYKU-UHFFFAOYSA-N 0 0 412.534 4.703 50 0 HJAARN OC1(Cc2ccc(F)cc2F)C[C@H]2CC[C@@H](C1)N2c1nc(C(F)(F)F)cs1 ZINC000095443232 568610981 /nfs/dbraw/zinc/61/09/81/568610981.db2.gz FCXGOCUNFVWPMJ-MPYYAJLASA-N 0 0 404.404 4.545 50 0 HJAARN CC(C)(C)CN(C[C@H](O)c1ccccc1)C(=O)CCCc1nnc(-c2ccccc2)o1 ZINC000095451256 568614492 /nfs/dbraw/zinc/61/44/92/568614492.db2.gz HKZHGLWYPRPWRR-NRFANRHFSA-N 0 0 421.541 4.668 50 0 HJAARN CCN(C(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12)c1cccc(C)c1 ZINC000020508826 568620238 /nfs/dbraw/zinc/62/02/38/568620238.db2.gz YTKPYVYEFGJNQR-UHFFFAOYSA-N 0 0 412.489 4.974 50 0 HJAARN Cc1cccc(NC(=O)CCN2c3cccnc3Sc3ccccc3C2=O)c1C ZINC000020512103 568621919 /nfs/dbraw/zinc/62/19/19/568621919.db2.gz PSRITPGQXFLGID-UHFFFAOYSA-N 0 0 403.507 4.839 50 0 HJAARN CCc1ccc(NC(=O)CCN2c3cccnc3Sc3ccccc3C2=O)cc1 ZINC000020512112 568621940 /nfs/dbraw/zinc/62/19/40/568621940.db2.gz ITCIZFMCGDIHGG-UHFFFAOYSA-N 0 0 403.507 4.784 50 0 HJAARN CC(C)(C)NC(=O)N1CCC(Nc2ncnc3sc(-c4ccccc4)cc32)CC1 ZINC000095467554 568624936 /nfs/dbraw/zinc/62/49/36/568624936.db2.gz XOQQPGCWJFEMHN-UHFFFAOYSA-N 0 0 409.559 4.743 50 0 HJAARN CC(=O)N1CCC(N(Cc2ccc(C)o2)C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000020532296 568627924 /nfs/dbraw/zinc/62/79/24/568627924.db2.gz GDXMIMCTZJBJGM-UHFFFAOYSA-N 0 0 423.435 4.652 50 0 HJAARN C[C@H](C(=O)Nc1nc(-c2cccnc2)cs1)c1ccc(C[C@H]2CCCC2=O)cc1 ZINC000095476391 568630424 /nfs/dbraw/zinc/63/04/24/568630424.db2.gz CUIGGZNWFHRQSI-MAUKXSAKSA-N 0 0 405.523 4.859 50 0 HJAARN O=C(Nc1ccc2c(c1)C(=O)Nc1cccnc1O2)c1nc(Cl)ccc1Cl ZINC000095477793 568631306 /nfs/dbraw/zinc/63/13/06/568631306.db2.gz VDLLUDMQOIEGKI-UHFFFAOYSA-N 0 0 401.209 4.778 50 0 HJAARN Cc1cc(C(=O)N2CCN(Cc3ccccn3)C[C@@H]2C)sc1-c1ccc(F)cc1 ZINC000225384262 568633250 /nfs/dbraw/zinc/63/32/50/568633250.db2.gz ROXSKPNCVYCXEM-KRWDZBQOSA-N 0 0 409.530 4.604 50 0 HJAARN C[C@@H](SCc1ccccc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 ZINC000095481667 568633987 /nfs/dbraw/zinc/63/39/87/568633987.db2.gz YRDHGABXIONEKM-CQSZACIVSA-N 0 0 401.919 4.670 50 0 HJAARN CC(C)(C)OC(=O)N1CCC[C@]2(CCN2Cc2csc(-c3ccsc3)n2)C1 ZINC000225417354 568636034 /nfs/dbraw/zinc/63/60/34/568636034.db2.gz XYWFIKXMTPDKJH-FQEVSTJZSA-N 0 0 405.589 4.847 50 0 HJAARN O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(CCc1cccc(F)c1)CO3 ZINC000020609905 568636849 /nfs/dbraw/zinc/63/68/49/568636849.db2.gz IRLLJEJNOJYFSC-UHFFFAOYSA-N 0 0 401.437 4.994 50 0 biogenic HJAARN COc1ccc(C2=N/C(=C\C(Cl)=C\c3ccccc3)C(=O)O2)c(Br)c1 ZINC000020616088 568638040 /nfs/dbraw/zinc/63/80/40/568638040.db2.gz SSZKUYVHZJKATB-FNIQPLQKSA-N 0 0 418.674 4.925 50 0 HJAARN COc1ccc(NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)cc1O ZINC000225453251 568639125 /nfs/dbraw/zinc/63/91/25/568639125.db2.gz MHZSVFWZZYAHOQ-UHFFFAOYSA-N 0 0 415.243 4.603 50 0 HJAARN O=C(CCc1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1cnc2ccccc2n1 ZINC000225504531 568644241 /nfs/dbraw/zinc/64/42/41/568644241.db2.gz LILBCCQAXMBSGH-VWLOTQADSA-N 0 0 406.489 4.940 50 0 HJAARN CCCC[C@](O)(c1ccc(OC)cc1)[C@H](CN1CCOCC1)c1ccc(Cl)cc1 ZINC000020868272 568646968 /nfs/dbraw/zinc/64/69/68/568646968.db2.gz DOCKAWZPPGQRNL-RPWUZVMVSA-N 0 0 417.977 4.842 50 0 HJAARN CCN1c2ccc(C)cc2[C@H](Cc2nc3ccccc3c(=O)n2-c2cccc(C)c2)C1=O ZINC000020868402 568647220 /nfs/dbraw/zinc/64/72/20/568647220.db2.gz CYQQYXWTPAAAOS-QFIPXVFZSA-N 0 0 423.516 4.695 50 0 HJAARN COc1ccccc1[C@@H]1SCC(=O)Nc2c1c(C)nn2-c1nc2ccccc2s1 ZINC000020891119 568647603 /nfs/dbraw/zinc/64/76/03/568647603.db2.gz JXQCHBVMLMSLIT-IBGZPJMESA-N 0 0 422.535 4.574 50 0 HJAARN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1C(F)(F)F)SCC(=O)N2 ZINC000020892515 568648206 /nfs/dbraw/zinc/64/82/06/568648206.db2.gz FBPCKZOFZPXZDC-SFHVURJKSA-N 0 0 403.429 4.974 50 0 HJAARN C[C@@]1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1c1ccc(Cl)cc1 ZINC000020903014 568650320 /nfs/dbraw/zinc/65/03/20/568650320.db2.gz WDCVOAYAQLDEFE-DEOSSOPVSA-N 0 0 421.928 4.773 50 0 HJAARN C[C@]1(C(=O)NC2CCCCC2)Cn2c(cc3ccccc32)C(=O)N1c1ccccc1F ZINC000020902781 568650339 /nfs/dbraw/zinc/65/03/39/568650339.db2.gz OQPROJQUJLDPEE-RUZDIDTESA-N 0 0 419.500 4.648 50 0 HJAARN CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ncc(C(F)(F)F)cc1Br ZINC000225553703 568650653 /nfs/dbraw/zinc/65/06/53/568650653.db2.gz TYZZIWBHAUDYMH-UHFFFAOYSA-N 0 0 421.188 4.798 50 0 HJAARN Cc1ccc(C(=O)NCc2ccccc2Cl)cc1NC(=O)C1=C(C)OCCS1 ZINC000020919311 568650861 /nfs/dbraw/zinc/65/08/61/568650861.db2.gz CZYYINSOVXPXTG-UHFFFAOYSA-N 0 0 416.930 4.512 50 0 HJAARN COc1ccc(-c2noc(CC(=O)N(Cc3ccco3)[C@@H]3CCC[C@@H](C)[C@@H]3C)n2)cc1 ZINC000020921577 568651056 /nfs/dbraw/zinc/65/10/56/568651056.db2.gz DMOVYIUYMGYHEQ-LLGFUMIMSA-N 0 0 423.513 4.734 50 0 HJAARN COc1ccc(-c2noc(CC(=O)N(Cc3ccco3)[C@@H]3CCC[C@H](C)[C@@H]3C)n2)cc1 ZINC000020921590 568651071 /nfs/dbraw/zinc/65/10/71/568651071.db2.gz DMOVYIUYMGYHEQ-XGHQBKJUSA-N 0 0 423.513 4.734 50 0 HJAARN O=C(COCc1cc(-c2cccs2)on1)Nc1cc(-c2cccc(Cl)c2)no1 ZINC000020926056 568651284 /nfs/dbraw/zinc/65/12/84/568651284.db2.gz WPXGKYYMHFNSDL-UHFFFAOYSA-N 0 0 415.858 4.867 50 0 HJAARN Cc1ccc(N(C)S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)cc1 ZINC000020977864 568653996 /nfs/dbraw/zinc/65/39/96/568653996.db2.gz KZFJKHNMCZIDEV-UHFFFAOYSA-N 0 0 402.419 4.555 50 0 HJAARN CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1ccc(OC)c(Cl)c1 ZINC000020978666 568654300 /nfs/dbraw/zinc/65/43/00/568654300.db2.gz HCCKSPRZXGBZBX-UHFFFAOYSA-N 0 0 406.891 4.675 50 0 HJAARN COc1ccc(Cn2ncc3ccc(C(=O)NCc4ccc(Cl)cc4)cc32)cc1 ZINC000020985239 568654957 /nfs/dbraw/zinc/65/49/57/568654957.db2.gz MQGBIKJBZFILQP-UHFFFAOYSA-N 0 0 405.885 4.677 50 0 HJAARN Cc1nc(NCc2ccccc2F)ncc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000021036295 568659937 /nfs/dbraw/zinc/65/99/37/568659937.db2.gz NKPPANZLGJCKNR-UHFFFAOYSA-N 0 0 420.366 4.687 50 0 HJAARN O=C(CCNC(=O)c1ccc2ccccc2c1)Nc1ccc2[nH]c(C3CCC3)nc2c1 ZINC000095946798 568664708 /nfs/dbraw/zinc/66/47/08/568664708.db2.gz GQPUGBTYDQCTDC-UHFFFAOYSA-N 0 0 412.493 4.742 50 0 HJAARN COc1cccc(NC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)c1 ZINC000021101220 568666454 /nfs/dbraw/zinc/66/64/54/568666454.db2.gz NAUHVDPZODSQOY-UHFFFAOYSA-N 0 0 406.461 4.574 50 0 biogenic HJAARN COc1ccc(OC)c(-n2c(Nc3ccc(C(C)C)cc3)c3[nH]cccc-3c2=O)c1 ZINC000021105710 568666919 /nfs/dbraw/zinc/66/69/19/568666919.db2.gz GYHPTDCMIIDINX-HSZRJFAPSA-N 0 0 403.482 4.993 50 0 HJAARN COc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000021106634 568667302 /nfs/dbraw/zinc/66/73/02/568667302.db2.gz NORQMVCLADQTHA-LJQANCHMSA-N 0 0 421.325 4.557 50 0 HJAARN CCOc1ccc(CNC(=O)c2sc3ncnc(N4CCCCCC4)c3c2C)cc1 ZINC000021116011 568669125 /nfs/dbraw/zinc/66/91/25/568669125.db2.gz JECAVNJGBJYEQJ-UHFFFAOYSA-N 0 0 424.570 4.709 50 0 HJAARN O=S1(=O)N=C(SCc2ccccc2F)N(Cc2ccccc2)c2ccccc21 ZINC000021117550 568669313 /nfs/dbraw/zinc/66/93/13/568669313.db2.gz LIXCGUUOIXIODG-UHFFFAOYSA-N 0 0 412.511 4.824 50 0 HJAARN COCc1nc2scc(-c3ccccc3)c2c(NC[C@H](O)c2ccc(OC)cc2)n1 ZINC000095957744 568669525 /nfs/dbraw/zinc/66/95/25/568669525.db2.gz MEGFWIPRRMVAOU-IBGZPJMESA-N 0 0 421.522 4.659 50 0 HJAARN CC1(C)COc2c(c3c(nc2-c2ccccc2)sc2c3ncnc2NCCCO)C1 ZINC000021147146 568670926 /nfs/dbraw/zinc/67/09/26/568670926.db2.gz TYCSVNHMFWJYHU-UHFFFAOYSA-N 0 0 420.538 4.662 50 0 HJAARN Cc1nc2ncnn2c(Sc2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1C ZINC000021147975 568671026 /nfs/dbraw/zinc/67/10/26/568671026.db2.gz OVEFVLRIVDUYGQ-UHFFFAOYSA-N 0 0 409.902 4.798 50 0 HJAARN Cc1ccccc1NC(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2 ZINC000021166815 568674924 /nfs/dbraw/zinc/67/49/24/568674924.db2.gz QHBHHVYVARKTEE-UHFFFAOYSA-N 0 0 403.912 4.917 50 0 HJAARN COc1cccc(-c2noc(CCCC(=O)Nc3ccccc3C(F)(F)F)n2)c1 ZINC000021168671 568675951 /nfs/dbraw/zinc/67/59/51/568675951.db2.gz XEVIITBKPGIYSW-UHFFFAOYSA-N 0 0 405.376 4.725 50 0 HJAARN CCOc1ccc(S(=O)(=O)Nc2cc(-c3cn4ccc(C)cc4n3)ccc2C)cc1 ZINC000021173430 568676820 /nfs/dbraw/zinc/67/68/20/568676820.db2.gz DSNRWYICNUAFEH-UHFFFAOYSA-N 0 0 421.522 4.818 50 0 HJAARN CCOc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccccc2s1 ZINC000021177366 568677494 /nfs/dbraw/zinc/67/74/94/568677494.db2.gz JTBONXUNUZPWRA-OAHLLOKOSA-N 0 0 404.495 4.663 50 0 HJAARN O=C(N[C@H]1CC(=O)c2ccccc21)c1cccnc1Oc1ccc(Br)cc1 ZINC000095997285 568679397 /nfs/dbraw/zinc/67/93/97/568679397.db2.gz ZXMIGYWHERTDHC-SFHVURJKSA-N 0 0 423.266 4.694 50 0 HJAARN CC(C)(C)n1cc(C(=O)Nc2ccccc2N2CCCCC2)c(Br)n1 ZINC000096001594 568681326 /nfs/dbraw/zinc/68/13/26/568681326.db2.gz KJARVOUAYHMPDR-UHFFFAOYSA-N 0 0 405.340 4.643 50 0 HJAARN O=C(CNC(=O)c1ccccc1Cl)Nc1ccc(N2CCCCCCC2)c(F)c1 ZINC000096007948 568683247 /nfs/dbraw/zinc/68/32/47/568683247.db2.gz BBDCGPMNERJLMG-UHFFFAOYSA-N 0 0 417.912 4.618 50 0 HJAARN CCCc1c(NC(=O)c2ccc(CNC(=O)C=C(C)C)cc2)cnn1-c1ccccc1 ZINC000096008941 568683447 /nfs/dbraw/zinc/68/34/47/568683447.db2.gz AFCYKQFNNHRWEI-UHFFFAOYSA-N 0 0 416.525 4.660 50 0 HJAARN CC(C)C(=O)Nc1nc2ccc(CCC(=O)N[C@H](C)CCc3ccccc3)cc2s1 ZINC000021353267 568688013 /nfs/dbraw/zinc/68/80/13/568688013.db2.gz HYLMPOALQKGJHE-QGZVFWFLSA-N 0 0 423.582 4.961 50 0 HJAARN COCCN1c2ccc(NC(=O)c3ccc(F)cc3)cc2Sc2ccccc2C1=O ZINC000021355383 568688247 /nfs/dbraw/zinc/68/82/47/568688247.db2.gz XNRNCVFEZLNGHW-UHFFFAOYSA-N 0 0 422.481 4.836 50 0 HJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N(Cc1ccco1)C1CCOCC1 ZINC000096097101 568689403 /nfs/dbraw/zinc/68/94/03/568689403.db2.gz UTPFUAQGOWRPPS-UHFFFAOYSA-N 0 0 400.862 4.718 50 0 HJAARN COc1ccc(CNC(=O)c2[nH]c3ccccc3c2NC(=O)c2ccc(C)cc2)cc1 ZINC000021361504 568690013 /nfs/dbraw/zinc/69/00/13/568690013.db2.gz MVZKKPMOSNEEEK-UHFFFAOYSA-N 0 0 413.477 4.667 50 0 HJAARN Cc1cccc(C(=O)Nc2c3ccccc3[nH]c2C(=O)NCc2ccccc2F)c1 ZINC000021362330 568690371 /nfs/dbraw/zinc/69/03/71/568690371.db2.gz KSIYCAUMWKGRRW-UHFFFAOYSA-N 0 0 401.441 4.798 50 0 HJAARN O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(c2nnc(-c3ccsc3)o2)CC1 ZINC000096102818 568691459 /nfs/dbraw/zinc/69/14/59/568691459.db2.gz BDDQMPGHPZTSKG-UHFFFAOYSA-N 0 0 423.416 4.717 50 0 HJAARN Cc1nc(-c2ccccc2C)sc1CNC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000096102826 568691525 /nfs/dbraw/zinc/69/15/25/568691525.db2.gz ZFEAOQNJHVFPEI-UHFFFAOYSA-N 0 0 402.523 4.602 50 0 HJAARN COc1ccc(-c2cc(=O)c3cc(NC(=O)CCc4cc(Cl)no4)ccc3o2)cc1 ZINC000012390526 568694787 /nfs/dbraw/zinc/69/47/87/568694787.db2.gz XERDBLQZAMKKPM-UHFFFAOYSA-N 0 0 424.840 4.681 50 0 HJAARN O=C(c1cc2ccccc2cc1O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000012393158 568696338 /nfs/dbraw/zinc/69/63/38/568696338.db2.gz HSKZHKKIELTUKL-UHFFFAOYSA-N 0 0 414.427 4.522 50 0 HJAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc(F)cc2Cl)S1 ZINC000096118441 568698001 /nfs/dbraw/zinc/69/80/01/568698001.db2.gz OBCGQQQDKNVMSQ-WBMJQRKESA-N 0 0 409.914 4.985 50 0 HJAARN O=C(Nc1ccccc1Cc1nc(-c2cccnc2)no1)c1ccc(-n2cccc2)cc1 ZINC000096119618 568698910 /nfs/dbraw/zinc/69/89/10/568698910.db2.gz MFRHUOVMSWIVJE-UHFFFAOYSA-N 0 0 421.460 4.765 50 0 HJAARN O=C(COc1ccccc1F)Nc1ccccc1Cc1nc(-c2cccs2)no1 ZINC000096119736 568699040 /nfs/dbraw/zinc/69/90/40/568699040.db2.gz CAZXUVXNNUKZOC-UHFFFAOYSA-N 0 0 409.442 4.546 50 0 HJAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2cccc(Oc3ccccn3)c2)CC1 ZINC000096122694 568700209 /nfs/dbraw/zinc/70/02/09/568700209.db2.gz ITXPMADTJFKTKZ-UHFFFAOYSA-N 0 0 407.901 4.798 50 0 HJAARN O=S(=O)(NCc1ccccc1-c1ccsc1)c1ccccc1Br ZINC000096122963 568700322 /nfs/dbraw/zinc/70/03/22/568700322.db2.gz JANLVXFSQRIHTR-UHFFFAOYSA-N 0 0 408.342 4.656 50 0 HJAARN CCOC(=O)c1nn(CC(=O)c2cc3c(c4c2CCCC4)CCCC3)c2ccccc21 ZINC000096191883 568703671 /nfs/dbraw/zinc/70/36/71/568703671.db2.gz UCCCPLOSBOAVSE-UHFFFAOYSA-N 0 0 416.521 4.854 50 0 HJAARN CCCN(Cc1cc(-c2ccc(F)cc2)on1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000096210733 568704450 /nfs/dbraw/zinc/70/44/50/568704450.db2.gz BAEIRDYORVYNQG-UHFFFAOYSA-N 0 0 408.882 4.735 50 0 HJAARN COc1ccc(C[C@H](C)NC(=O)C(=O)c2c3ccccc3[nH]c2-c2ccccc2)cc1 ZINC000012401823 568704956 /nfs/dbraw/zinc/70/49/56/568704956.db2.gz XXVFQCFNVOQYEE-KRWDZBQOSA-N 0 0 412.489 4.774 50 0 HJAARN CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)c2cccnc2S3)cc1 ZINC000096232599 568708285 /nfs/dbraw/zinc/70/82/85/568708285.db2.gz QRILXQKCMMKSHT-UHFFFAOYSA-N 0 0 419.506 4.862 50 0 HJAARN Cc1nc(-c2ccsc2)sc1C(=O)OCC(=O)Nc1cccc2ncccc21 ZINC000021530560 568710875 /nfs/dbraw/zinc/71/08/75/568710875.db2.gz CNSALJUOBIRAMM-UHFFFAOYSA-N 0 0 409.492 4.524 50 0 HJAARN CNC(=O)/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=O)c1ccc(Cl)cc1 ZINC000000852144 568712697 /nfs/dbraw/zinc/71/26/97/568712697.db2.gz AUIQSFNFVADHGE-PDGQHHTCSA-N 0 0 415.276 4.770 50 0 HJAARN O=c1oc2ccc(Br)cc2cc1-c1nnc(Nc2ccc(F)cc2)s1 ZINC000000856277 568713175 /nfs/dbraw/zinc/71/31/75/568713175.db2.gz NIQOZLOEKWYMIZ-UHFFFAOYSA-N 0 0 418.247 4.957 50 0 HJAARN O=c1oc2ccc(Br)cc2cc1-c1nnc(Nc2ccccc2F)s1 ZINC000000856278 568713203 /nfs/dbraw/zinc/71/32/03/568713203.db2.gz IVOLKBXAEDSAPI-UHFFFAOYSA-N 0 0 418.247 4.957 50 0 HJAARN CC(C)OCCCNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000021556084 568714095 /nfs/dbraw/zinc/71/40/95/568714095.db2.gz FMPFTHGVJQOFFF-UHFFFAOYSA-N 0 0 411.933 4.797 50 0 HJAARN CC(C)C(=O)Nc1ccc2c(cc(C(=O)N3CCCC3)n2Cc2cccc(F)c2)c1 ZINC000096276806 568715503 /nfs/dbraw/zinc/71/55/03/568715503.db2.gz CHIKBQUJEBQGLV-UHFFFAOYSA-N 0 0 407.489 4.659 50 0 HJAARN C[C@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)N2CCC[C@H]3CCCC[C@H]32)o1 ZINC000229951722 568716008 /nfs/dbraw/zinc/71/60/08/568716008.db2.gz WIQDWFXQZDPGIF-HDMKZQKVSA-N 0 0 419.522 4.622 50 0 HJAARN Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@@H]3C2=O)c1 ZINC000229968724 568716424 /nfs/dbraw/zinc/71/64/24/568716424.db2.gz CZNJUCWEUUULRC-BHDDXSALSA-N 0 0 418.880 4.700 50 0 HJAARN Cc1nn2c(nnc3c2ccn([C@@H]2CCC[C@@H](C)[C@H]2C)c3=O)c1-c1ccc(F)cc1 ZINC000230026065 568716585 /nfs/dbraw/zinc/71/65/85/568716585.db2.gz UKBHWVYEBGVLHQ-HBUWYVDXSA-N 0 0 405.477 4.551 50 0 HJAARN O=c1cc(-c2ccc(F)cc2)nc(SCc2nc(-c3ccc(Cl)cc3)no2)[nH]1 ZINC000012415001 568717550 /nfs/dbraw/zinc/71/75/50/568717550.db2.gz HUENTJCHIPICGW-UHFFFAOYSA-N 0 0 414.849 4.572 50 0 HJAARN Cc1oc(-c2ccccc2C)nc1COC(=O)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000012415626 568717669 /nfs/dbraw/zinc/71/76/69/568717669.db2.gz PQSZGKBNGIYESB-UHFFFAOYSA-N 0 0 422.872 4.858 50 0 HJAARN COc1ccccc1C1=NN(C(=O)c2cccs2)[C@@H](c2ccc3nccnc3c2)C1 ZINC000012420783 568720344 /nfs/dbraw/zinc/72/03/44/568720344.db2.gz ZAPAIEKHGTVQMG-HXUWFJFHSA-N 0 0 414.490 4.691 50 0 HJAARN CC[C@@H](C)[C@@H](NC(=O)c1ccc(C)cc1)c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000096293154 568721491 /nfs/dbraw/zinc/72/14/91/568721491.db2.gz DNWOXCTWCJTPLO-FOIQADDNSA-N 0 0 409.486 4.579 50 0 HJAARN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000012435185 568722575 /nfs/dbraw/zinc/72/25/75/568722575.db2.gz CDHKABSPJGTTSM-UHFFFAOYSA-N 0 0 412.852 4.574 50 0 HJAARN O=C(NCc1ccccc1)c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000000866474 568723550 /nfs/dbraw/zinc/72/35/50/568723550.db2.gz CJBFKAWJPQWQGP-ZBFHGGJFSA-N 0 0 406.433 4.535 50 0 HJAARN CCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3c(C)cc(C)cc3C)n2)cc1 ZINC000012441059 568723754 /nfs/dbraw/zinc/72/37/54/568723754.db2.gz IOHQOJXNUGCBEY-UHFFFAOYSA-N 0 0 419.525 4.653 50 0 HJAARN Cc1ccc(NC(=O)Cc2csc(SCC(=O)c3ccc(F)cc3)n2)cc1 ZINC000012444182 568725294 /nfs/dbraw/zinc/72/52/94/568725294.db2.gz IRKLBXRPXKMJSE-UHFFFAOYSA-N 0 0 400.500 4.747 50 0 HJAARN Cc1ccc(Cc2c(C)nc(C(C)C)nc2N2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000096317191 568726219 /nfs/dbraw/zinc/72/62/19/568726219.db2.gz AZIYEKRBBHKOSN-UHFFFAOYSA-N 0 0 408.590 4.502 50 0 HJAARN COc1ccc(-c2noc([C@@H](NC(=O)c3cccc4ccccc43)C(C)C)n2)cc1 ZINC000238882052 568727054 /nfs/dbraw/zinc/72/70/54/568727054.db2.gz CBOBHVDBJZJIDH-NRFANRHFSA-N 0 0 401.466 5.026 50 0 HJAARN Fc1ccccc1Nc1ncc2c(n1)CCN(Cc1cccc(Br)c1)C2 ZINC000021639639 568727477 /nfs/dbraw/zinc/72/74/77/568727477.db2.gz JQORLXQDLSXUAW-UHFFFAOYSA-N 0 0 413.294 4.680 50 0 HJAARN CCn1c(=O)c2c(nc1SCC(=O)c1ccc(Cl)cc1)sc1c2CCC1 ZINC000000870827 568728797 /nfs/dbraw/zinc/72/87/97/568728797.db2.gz VCFUQXJBIOJXMV-UHFFFAOYSA-N 0 0 404.944 4.595 50 0 HJAARN C[C@H](Cc1ccco1)NC(=O)c1ccc(NC(=O)c2nsc3ccccc32)cc1 ZINC000021650568 568729162 /nfs/dbraw/zinc/72/91/62/568729162.db2.gz QHIGRCCUWCIIEF-CQSZACIVSA-N 0 0 405.479 4.503 50 0 HJAARN COc1ccccc1-c1noc(-c2ccc(CS(=O)(=O)c3ccc(C)c(C)c3)o2)n1 ZINC000096322805 568731029 /nfs/dbraw/zinc/73/10/29/568731029.db2.gz SCXUENOEOCUVIM-UHFFFAOYSA-N 0 0 424.478 4.596 50 0 HJAARN Cc1ccccc1-c1noc(-c2ccc(CS(=O)(=O)Cc3ccccc3F)o2)n1 ZINC000096322767 568731038 /nfs/dbraw/zinc/73/10/38/568731038.db2.gz MJGVNSVCIBCWNT-UHFFFAOYSA-N 0 0 412.442 4.559 50 0 HJAARN Cc1ccc(C)c(NC(=O)N2CCc3c(sc4nc(-c5ccc(F)cc5)nn43)C2)c1 ZINC000096323815 568732951 /nfs/dbraw/zinc/73/29/51/568732951.db2.gz AJUUAGMONYAXLO-UHFFFAOYSA-N 0 0 421.501 4.804 50 0 HJAARN CCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@@H]1[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000005791945 568733637 /nfs/dbraw/zinc/73/36/37/568733637.db2.gz QMWIFRGRMGOLIY-CKTGMZNUSA-N 0 0 400.559 4.998 50 0 HJAARN COc1ccc(-c2ccnc3cc(C(=O)Nc4ccc(C)c(Cl)c4)nn32)cc1OC ZINC000021660175 568735520 /nfs/dbraw/zinc/73/55/20/568735520.db2.gz OSWIACFTSDMZBU-UHFFFAOYSA-N 0 0 422.872 4.628 50 0 HJAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cccc(Cl)c3)sc2c1 ZINC000021660607 568735664 /nfs/dbraw/zinc/73/56/64/568735664.db2.gz MOPASUPBGVOKSB-OAHLLOKOSA-N 0 0 424.913 4.927 50 0 HJAARN O=C(Cc1c[nH]c2ccccc12)N[C@@H](C(=O)N1CCCc2ccccc21)c1ccccc1 ZINC000096331113 568735753 /nfs/dbraw/zinc/73/57/53/568735753.db2.gz PKELDQBDCROLGN-AREMUKBSSA-N 0 0 423.516 4.547 50 0 HJAARN COc1ccc(-c2cc(C(=O)Nc3ccccc3-c3nc(C(C)C)no3)no2)cc1 ZINC000096346760 568737885 /nfs/dbraw/zinc/73/78/85/568737885.db2.gz LJNLTAUEXZMLPP-UHFFFAOYSA-N 0 0 404.426 4.776 50 0 HJAARN Cc1c2cc(C)ccc2[nH]c1-c1nc(CCN(C)C(=O)c2ccc(C)cc2C)no1 ZINC000096349756 568738349 /nfs/dbraw/zinc/73/83/49/568738349.db2.gz NVAIJGHVSDYUKY-UHFFFAOYSA-N 0 0 402.498 4.766 50 0 HJAARN O=C(c1ccccc1Br)N1CCC(c2cnn(-c3ccccc3)c2)CC1 ZINC000096372498 568739829 /nfs/dbraw/zinc/73/98/29/568739829.db2.gz GQJCIOFAPHWUDE-UHFFFAOYSA-N 0 0 410.315 4.655 50 0 HJAARN CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccc(O)cc2)n1CC ZINC000000892277 568741292 /nfs/dbraw/zinc/74/12/92/568741292.db2.gz HVOHAIFMPNLPML-UHFFFAOYSA-N 0 0 410.543 4.526 50 0 HJAARN CCOc1ccccc1NC(=O)N1CCC(c2cc(-c3cccc(OC)c3)n[nH]2)CC1 ZINC000096386805 568743532 /nfs/dbraw/zinc/74/35/32/568743532.db2.gz JAMPYRCGWPGHQJ-UHFFFAOYSA-N 0 0 420.513 4.896 50 0 HJAARN C[C@H](NC(=O)Cc1c2[nH]cccc-2c(=O)n1-c1ccc(Cl)cc1)c1ccccc1 ZINC000096387106 568743912 /nfs/dbraw/zinc/74/39/12/568743912.db2.gz RLCRAMHOSTZQMM-MGPUTAFESA-N 0 0 405.885 4.704 50 0 HJAARN 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CCOc1ccccc1Nc1nnc(SCC(=O)c2ccc(F)c(F)c2)s1 ZINC000002725835 568803875 /nfs/dbraw/zinc/80/38/75/568803875.db2.gz HFHMKHXBYMYBEM-UHFFFAOYSA-N 0 0 407.467 4.934 50 0 HJAARN Cc1nn(Cc2ccc(C(=O)N[C@H](C)c3ccc(C)cc3)o2)c(C)c1Br ZINC000002759846 568806976 /nfs/dbraw/zinc/80/69/76/568806976.db2.gz MJGAXOHUZGMGQD-CYBMUJFWSA-N 0 0 416.319 4.703 50 0 HJAARN CCn1ncc(C(=O)Nc2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)c1C ZINC000002769029 568807668 /nfs/dbraw/zinc/80/76/68/568807668.db2.gz MNYPAXGVPRMOIS-UHFFFAOYSA-N 0 0 406.317 4.632 50 0 HJAARN CCn1nc(C)c(NC(=O)c2cnn3c2nc(-c2ccc(C)cc2)cc3C(F)F)c1C ZINC000002770463 568807980 /nfs/dbraw/zinc/80/79/80/568807980.db2.gz VNJFEWJBDHNZFX-UHFFFAOYSA-N 0 0 424.455 4.728 50 0 HJAARN COc1cc(NC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)c(OC)cc1Cl ZINC000056560046 568811976 /nfs/dbraw/zinc/81/19/76/568811976.db2.gz NBAZVLQXODFWTC-SFHVURJKSA-N 0 0 411.285 4.616 50 0 HJAARN COc1cc(CN(C)[C@H](C)C(=O)Nc2cc(Cl)ccc2C)ccc1OC(F)F ZINC000015144224 568812881 /nfs/dbraw/zinc/81/28/81/568812881.db2.gz 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COc1cccc(-n2cnnc2SCc2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC000005895067 568828588 /nfs/dbraw/zinc/82/85/88/568828588.db2.gz UYPCTTNZSKGUDH-UHFFFAOYSA-N 0 0 416.506 4.821 50 0 HJAARN CCOc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(F)cc3)oc21 ZINC000002951449 568829185 /nfs/dbraw/zinc/82/91/85/568829185.db2.gz IEYHYZNOQFZXNJ-GFMRDNFCSA-N 0 0 409.442 4.912 50 0 HJAARN O=C1[C@H](Cc2ccccc2)N=C2c3ccccc3N=C(SCc3ccccc3F)N12 ZINC000002964384 568830624 /nfs/dbraw/zinc/83/06/24/568830624.db2.gz OMKYYUUQQQUZCC-NRFANRHFSA-N 0 0 415.493 4.960 50 0 HJAARN O=C(Nc1ccc(I)cc1)c1cc(-c2ccccc2Cl)[nH]n1 ZINC000057412315 568833106 /nfs/dbraw/zinc/83/31/06/568833106.db2.gz YDTVUTPXLCWJOX-UHFFFAOYSA-N 0 0 423.641 4.587 50 0 HJAARN C[C@H]1C[C@H](C)CN(C(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)C1 ZINC000005990102 568834417 /nfs/dbraw/zinc/83/44/17/568834417.db2.gz MTHRDAKVSAXJLF-ROUUACIJSA-N 0 0 418.566 4.802 50 0 HJAARN CCCn1c(SCC(=O)Nc2ccccc2C(C)C)nc2ccsc2c1=O ZINC000057425356 568834705 /nfs/dbraw/zinc/83/47/05/568834705.db2.gz 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HJAARN Cc1cc(C)cc(-n2c(SCC(=O)Nc3ccccc3)nc3ccsc3c2=O)c1 ZINC000057488277 568843536 /nfs/dbraw/zinc/84/35/36/568843536.db2.gz GQAVYCOURLPQBC-UHFFFAOYSA-N 0 0 421.547 4.795 50 0 HJAARN CCN(CC)c1ccc(-c2nnc(SCc3cn4cccc(C)c4n3)n2C)cc1 ZINC000012531307 568844144 /nfs/dbraw/zinc/84/41/44/568844144.db2.gz IVTFTGDJJBNLMU-UHFFFAOYSA-N 0 0 406.559 4.577 50 0 HJAARN Cc1ccc(C)c(NC(=O)c2cc(S(=O)(=O)N[C@@H]3CCCC[C@@H]3C)ccc2F)c1 ZINC000003031160 568844628 /nfs/dbraw/zinc/84/46/28/568844628.db2.gz SJFSYMLFFWMYFF-MGPUTAFESA-N 0 0 418.534 4.552 50 0 HJAARN CC(=O)N[C@H](C)c1ccc(C(=O)CSc2nc3ccccc3n2C(F)F)cc1 ZINC000012535810 568845717 /nfs/dbraw/zinc/84/57/17/568845717.db2.gz FIIJOSHTGHMFFU-GFCCVEGCSA-N 0 0 403.454 4.604 50 0 HJAARN Cc1ccc([C@H]2C(=O)N(C3CCC(C)CC3)CC(=O)N2CCc2ccccc2)cc1 ZINC000003038520 568845949 /nfs/dbraw/zinc/84/59/49/568845949.db2.gz FXDISNBABHHLIK-QNAFOZIXSA-N 0 0 404.554 4.528 50 0 HJAARN CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2ccccc2N2CCCC2)CC1=O ZINC000012537223 568845983 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O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000012544746 568849478 /nfs/dbraw/zinc/84/94/78/568849478.db2.gz AGZBGQOELJBKSZ-UHFFFAOYSA-N 0 0 401.875 4.785 50 0 HJAARN O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1 ZINC000012544882 568850070 /nfs/dbraw/zinc/85/00/70/568850070.db2.gz RXEHMNLZBCKNIE-UHFFFAOYSA-N 0 0 401.875 4.785 50 0 HJAARN COc1ccc(CCn2c(C)cc(C(=O)COc3ncnc4ccccc43)c2C)cc1 ZINC000003278838 568850700 /nfs/dbraw/zinc/85/07/00/568850700.db2.gz IVFDVTYBHWMPNP-UHFFFAOYSA-N 0 0 415.493 4.561 50 0 HJAARN CC(C)N(Cc1ccccc1)C(=O)COc1ncnc2sc3c(c21)CC[C@@H](C)C3 ZINC000003280241 568850947 /nfs/dbraw/zinc/85/09/47/568850947.db2.gz PWAJMGBZFBIETJ-MRXNPFEDSA-N 0 0 409.555 4.632 50 0 HJAARN Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccc(C(C)C)cc2)c(=O)c1C ZINC000057528028 568850973 /nfs/dbraw/zinc/85/09/73/568850973.db2.gz QVIWZFNHSNJVIE-UHFFFAOYSA-N 0 0 409.917 4.943 50 0 HJAARN O=C(CN1CCCC[C@H]1c1nc2ccccc2s1)NCCc1c[nH]c2ccccc12 ZINC000057531706 568852341 /nfs/dbraw/zinc/85/23/41/568852341.db2.gz JDUMBRAECBYFPB-NRFANRHFSA-N 0 0 418.566 4.664 50 0 HJAARN Cc1ccc(NC(=O)COC(=O)c2ccc(C(F)(F)F)cc2)c(Br)c1 ZINC000003297828 568852691 /nfs/dbraw/zinc/85/26/91/568852691.db2.gz XUTQNCNNIDRRIR-UHFFFAOYSA-N 0 0 416.193 4.572 50 0 HJAARN CSc1nc2ccc(NC(=O)COc3ccc(Br)cc3)cc2s1 ZINC000003327864 568854756 /nfs/dbraw/zinc/85/47/56/568854756.db2.gz RHLINHXPXYKJJS-UHFFFAOYSA-N 0 0 409.330 4.798 50 0 HJAARN CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(OC)c(Cl)c1)O[C@@H](C)C2 ZINC000012555670 568855427 /nfs/dbraw/zinc/85/54/27/568855427.db2.gz PQJFIFLOMCMIHW-QWHCGFSZSA-N 0 0 404.894 4.510 50 0 HJAARN CCN(Cc1ccccc1)C(=O)COc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000012555573 568855430 /nfs/dbraw/zinc/85/54/30/568855430.db2.gz SDDASZCPUDMKEB-UHFFFAOYSA-N 0 0 421.497 4.925 50 0 HJAARN Cc1cc(NC(=O)CSc2ncnc3sc(C)c(C)c32)n(-c2ccccc2)n1 ZINC000003346528 568856051 /nfs/dbraw/zinc/85/60/51/568856051.db2.gz XKFKVJRPKBXXOF-UHFFFAOYSA-N 0 0 409.540 4.533 50 0 HJAARN CCN(CC)c1ccc(-c2nnc(SCc3nc(-c4ccco4)no3)n2CC)cc1 ZINC000030028626 568856247 /nfs/dbraw/zinc/85/62/47/568856247.db2.gz IXTLCWNGJCNREG-UHFFFAOYSA-N 0 0 424.530 4.747 50 0 HJAARN COc1ccc(N(Cc2ccc(F)cc2)C(=O)c2cc3ccccc3oc2=O)cc1 ZINC000003124678 568856970 /nfs/dbraw/zinc/85/69/70/568856970.db2.gz LDIZXOYAIHGXDQ-UHFFFAOYSA-N 0 0 403.409 4.788 50 0 HJAARN Cc1nc(COc2cccc(C(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)c2)cs1 ZINC000012559401 568857167 /nfs/dbraw/zinc/85/71/67/568857167.db2.gz GJFQTHIOOYDHNP-MRXNPFEDSA-N 0 0 418.522 4.707 50 0 HJAARN O=C(CSc1ccc(C(F)(F)F)cn1)N[C@@H]1CCSc2c(F)cccc21 ZINC000057666880 568857805 /nfs/dbraw/zinc/85/78/05/568857805.db2.gz TXEFXYHHGHXGQB-CYBMUJFWSA-N 0 0 402.438 4.685 50 0 HJAARN O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cc(Br)ccc1Cl ZINC000003419910 568858754 /nfs/dbraw/zinc/85/87/54/568858754.db2.gz WNWUTOBDSQXBHH-MRXNPFEDSA-N 0 0 411.727 4.653 50 0 HJAARN C[C@H](c1nnc(-c2cccs2)o1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057718063 568858767 /nfs/dbraw/zinc/85/87/67/568858767.db2.gz CPHFZLPQLUJFSY-CYBMUJFWSA-N 0 0 408.449 4.700 50 0 HJAARN CC(=O)Nc1ccc(F)c(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)c1 ZINC000030214883 568858962 /nfs/dbraw/zinc/85/89/62/568858962.db2.gz TYXJWILXYVCEQM-UHFFFAOYSA-N 0 0 414.868 4.999 50 0 HJAARN COc1ccc(-c2nnc(SCC(=O)Nc3c(Cl)cccc3Cl)o2)cc1 ZINC000003432286 568859235 /nfs/dbraw/zinc/85/92/35/568859235.db2.gz DNLLDVXMVLGPLR-UHFFFAOYSA-N 0 0 410.282 4.783 50 0 HJAARN COc1ccc(NC(=O)CSCc2ccccc2Br)cc1Cl ZINC000012567991 568860609 /nfs/dbraw/zinc/86/06/09/568860609.db2.gz UAOSWPROUMARSD-UHFFFAOYSA-N 0 0 400.725 4.983 50 0 HJAARN CCOc1ccc2c(c1)SC1=N[C@@](c3ccc(OC)cc3)(C(F)(F)F)NC(=O)N21 ZINC000003198164 568861047 /nfs/dbraw/zinc/86/10/47/568861047.db2.gz AVPHZJNRVJFSMF-SFHVURJKSA-N 0 0 423.416 4.501 50 0 HJAARN O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cccc(Br)c1 ZINC000003208710 568861837 /nfs/dbraw/zinc/86/18/37/568861837.db2.gz XFHFBQAEQILNCT-UHFFFAOYSA-N 0 0 403.257 4.554 50 0 HJAARN CC(C)c1ccccc1-n1c(=O)c2ccccc2nc1SCC(=O)C(F)(F)F ZINC000003222004 568863714 /nfs/dbraw/zinc/86/37/14/568863714.db2.gz ACLYMJGFQVPXLU-UHFFFAOYSA-N 0 0 406.429 4.733 50 0 HJAARN Cc1[nH]c2ccccc2c1CCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 ZINC000003619218 568864335 /nfs/dbraw/zinc/86/43/35/568864335.db2.gz DMLYVMTXJKRTKR-BWAHOGKJSA-N 0 0 423.516 4.606 50 0 HJAARN C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003234808 568865297 /nfs/dbraw/zinc/86/52/97/568865297.db2.gz REOANQGBOQHHLX-QWRGUYRKSA-N 0 0 411.342 4.671 50 0 HJAARN CCOc1ccc([C@H]2C[C@H](c3c(Cl)cccc3Cl)n3nc(N)nc3N2)cc1 ZINC000003642410 568865639 /nfs/dbraw/zinc/86/56/39/568865639.db2.gz NXGPFFHFQKGHBH-HZPDHXFCSA-N 0 0 404.301 4.712 50 0 HJAARN CC(C)N(C(=O)COC(=O)c1ccccc1C(=O)c1ccccc1)c1ccccc1 ZINC000003237125 568865770 /nfs/dbraw/zinc/86/57/70/568865770.db2.gz GRBVUJQPAFCELZ-UHFFFAOYSA-N 0 0 401.462 4.516 50 0 HJAARN COc1ccc(-c2nn(C)c(=O)c3ccccc32)cc1NC(=O)c1ccccc1Cl ZINC000003652334 568866467 /nfs/dbraw/zinc/86/64/67/568866467.db2.gz OLNBVMRXHYWTLJ-UHFFFAOYSA-N 0 0 419.868 4.515 50 0 HJAARN CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000003246270 568867000 /nfs/dbraw/zinc/86/70/00/568867000.db2.gz LKFCRWUZNGVDIW-SFHVURJKSA-N 0 0 401.462 4.669 50 0 HJAARN COc1ccc(OCCNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000003665990 568867176 /nfs/dbraw/zinc/86/71/76/568867176.db2.gz BIOFRUYSFVQSMY-UHFFFAOYSA-N 0 0 407.310 4.542 50 0 biogenic HJAARN C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccccc1OCc1ccc(F)cc1 ZINC000003248086 568867371 /nfs/dbraw/zinc/86/73/71/568867371.db2.gz ALNIXPXEHKRQAC-KRWDZBQOSA-N 0 0 419.452 4.539 50 0 HJAARN Cc1ccc(-c2nc(SCC(=O)NC[C@H]3CCCO3)[nH]c2-c2ccc(C)cc2)cc1 ZINC000012588044 568867677 /nfs/dbraw/zinc/86/76/77/568867677.db2.gz IEUTZJFVNJOFHD-HXUWFJFHSA-N 0 0 421.566 4.748 50 0 HJAARN CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc(C(C)=O)cc2)[C@H]1c1ccc(OC)cc1 ZINC000019165555 568867683 /nfs/dbraw/zinc/86/76/83/568867683.db2.gz BFXBNYSUNSMMGG-ISKFKSNPSA-N 0 0 422.525 4.616 50 0 HJAARN CN(C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1)C1CCCCC1 ZINC000003250812 568867817 /nfs/dbraw/zinc/86/78/17/568867817.db2.gz DGRDQKQKGWOUQI-UHFFFAOYSA-N 0 0 412.584 4.879 50 0 HJAARN C[C@H]1CCc2c(sc3ncnc(SCCCn4c5ccccc5[nH]c4=O)c32)C1 ZINC000012589270 568867884 /nfs/dbraw/zinc/86/78/84/568867884.db2.gz WIVZPOJPIQOUBY-ZDUSSCGKSA-N 0 0 410.568 4.642 50 0 HJAARN CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC)O[C@@H](C)C2 ZINC000012590773 568868375 /nfs/dbraw/zinc/86/83/75/568868375.db2.gz SSWAPUYMGPHPGU-STQMWFEESA-N 0 0 404.894 4.510 50 0 HJAARN O=C(COCOc1ccccc1)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1 ZINC000003257671 568868680 /nfs/dbraw/zinc/86/86/80/568868680.db2.gz QAVJUXUHEFGYGX-UHFFFAOYSA-N 0 0 419.868 4.824 50 0 HJAARN Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(Cc3cccc(Cl)c3)C2=O)cc1C ZINC000012594920 568868858 /nfs/dbraw/zinc/86/88/58/568868858.db2.gz IVQRZDDZLQEYEO-XMMPIXPASA-N 0 0 404.897 4.952 50 0 HJAARN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NC1CCCCCCC1 ZINC000003270416 568870508 /nfs/dbraw/zinc/87/05/08/568870508.db2.gz CRQITFGRGUZRAZ-UHFFFAOYSA-N 0 0 410.543 4.849 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 ZINC000003276207 568871129 /nfs/dbraw/zinc/87/11/29/568871129.db2.gz VHLLNJMKGAKIDO-UHFFFAOYSA-N 0 0 407.853 4.675 50 0 HJAARN CCC[C@H](CNC(=O)CSc1nnc2ccccn21)c1ccc(Cl)cc1Cl ZINC000003278866 568871306 /nfs/dbraw/zinc/87/13/06/568871306.db2.gz FVPDKCQCUQKIPO-CYBMUJFWSA-N 0 0 423.369 4.828 50 0 HJAARN COc1ccc(Br)c(C(=O)NCc2ccc(-c3csc(C)n3)cc2)c1 ZINC000012613787 568871768 /nfs/dbraw/zinc/87/17/68/568871768.db2.gz HPARNDAIFYIHMU-UHFFFAOYSA-N 0 0 417.328 4.820 50 0 HJAARN O=C(CCCSc1n[nH]c(-c2ccccc2)n1)c1ccc(Br)cc1 ZINC000012619017 568872306 /nfs/dbraw/zinc/87/23/06/568872306.db2.gz AHMJJOLPWQAZLJ-UHFFFAOYSA-N 0 0 402.317 4.989 50 0 HJAARN Cc1cc2nc(N3CCC(C(=O)N[C@H](C)c4ccccc4)CC3)nc(C)c2cc1C ZINC000299764675 568873547 /nfs/dbraw/zinc/87/35/47/568873547.db2.gz CHPZUQWQENPHHZ-GOSISDBHSA-N 0 0 402.542 4.649 50 0 HJAARN COc1cccc(-n2c(=O)c3ccccc3nc2SCCOc2ccccc2)c1 ZINC000003293089 568874104 /nfs/dbraw/zinc/87/41/04/568874104.db2.gz CISAVPQIHROUAE-UHFFFAOYSA-N 0 0 404.491 4.565 50 0 HJAARN COc1ccc(-c2nnc(SCc3ccc(Br)cc3)o2)cc1OC ZINC000003295056 568874779 /nfs/dbraw/zinc/87/47/79/568874779.db2.gz FNGQBPFYNYLSEN-UHFFFAOYSA-N 0 0 407.289 4.809 50 0 HJAARN O=C(Cn1c(=S)[nH]nc1-c1cccs1)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000012620532 568877297 /nfs/dbraw/zinc/87/72/97/568877297.db2.gz PTHMANSYLBNBQN-LBPRGKRZSA-N 0 0 422.988 4.676 50 0 HJAARN O=C1C[C@H](c2cccc(O)c2)c2c(ccc3c(=O)c(-c4ccccc4F)coc32)O1 ZINC000263585271 568878547 /nfs/dbraw/zinc/87/85/47/568878547.db2.gz GXTRAVDZMQTJQX-QGZVFWFLSA-N 0 0 402.377 4.746 50 0 biogenic HJAARN O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1ccc2c(c1)CCC2 ZINC000003313426 568878918 /nfs/dbraw/zinc/87/89/18/568878918.db2.gz YTWKGXVIXUEERG-UHFFFAOYSA-N 0 0 400.504 4.640 50 0 HJAARN Cc1c(O[C@H](C)C(=O)OCc2ccccc2Cl)ccc2c3c(c(=O)oc12)CCC3 ZINC000004056251 568880784 /nfs/dbraw/zinc/88/07/84/568880784.db2.gz CYWCUTCSKVOYDG-CQSZACIVSA-N 0 0 412.869 4.754 50 0 HJAARN COC(=O)c1nc(NC(=O)C[C@H](c2ccsc2)n2cccc2)sc1CC(C)C ZINC000263587193 568882376 /nfs/dbraw/zinc/88/23/76/568882376.db2.gz DGLPPRKOWKODOD-OAHLLOKOSA-N 0 0 417.556 4.609 50 0 HJAARN COc1ccc(-n2nc3c(c2NC(=O)c2c(F)cccc2Cl)CSC3)cc1 ZINC000004079160 568882598 /nfs/dbraw/zinc/88/25/98/568882598.db2.gz OMWYIXKBTRCIJY-UHFFFAOYSA-N 0 0 403.866 4.673 50 0 HJAARN Cc1csc(SCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)n1 ZINC000003347761 568884891 /nfs/dbraw/zinc/88/48/91/568884891.db2.gz AUFOMRJOQGOTMI-OAHLLOKOSA-N 0 0 411.552 4.673 50 0 HJAARN Cc1ccc(C(=O)[C@H](OC(=O)c2ccc3c(c2)OCCO3)c2ccc(C)cc2)cc1 ZINC000003348924 568885098 /nfs/dbraw/zinc/88/50/98/568885098.db2.gz GOPFFEKVQQUREJ-XMMPIXPASA-N 0 0 402.446 4.856 50 0 HJAARN Cc1cc(OC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)n(-c2ccc(Cl)cc2)n1 ZINC000003348803 568885150 /nfs/dbraw/zinc/88/51/50/568885150.db2.gz NJMUOJGGWXVXDU-FQEVSTJZSA-N 0 0 412.873 4.611 50 0 HJAARN Cc1cc(OC(=O)c2ccc(OC[C@H]3CCCO3)cc2)n(-c2ccc(Cl)cc2)n1 ZINC000003348801 568885168 /nfs/dbraw/zinc/88/51/68/568885168.db2.gz NJMUOJGGWXVXDU-HXUWFJFHSA-N 0 0 412.873 4.611 50 0 HJAARN CC(C)N(c1ccccc1)c1ccc(NC(=O)Cn2c(CO)nc3ccccc32)cc1 ZINC000012649499 568886023 /nfs/dbraw/zinc/88/60/23/568886023.db2.gz JCSCPDBPIQSZHS-UHFFFAOYSA-N 0 0 414.509 4.714 50 0 HJAARN Cn1c([C@H]2Sc3ccccc3NC2=O)ccc1[C@H]1Sc2ccccc2NC1=O ZINC000003353377 568886210 /nfs/dbraw/zinc/88/62/10/568886210.db2.gz YVYPZZKMPZYZJS-RTBURBONSA-N 0 0 407.520 4.596 50 0 HJAARN CC(=O)c1cccc(NC(=O)COc2ccccc2-c2nnc(-c3ccccc3)o2)c1 ZINC000015733374 568887855 /nfs/dbraw/zinc/88/78/55/568887855.db2.gz HDLZRRDYJBYSPK-UHFFFAOYSA-N 0 0 413.433 4.624 50 0 HJAARN CCc1cccc2c(C(=O)CSc3nnc(-c4cccc(OC)c4)n3C)c[nH]c21 ZINC000003361958 568888353 /nfs/dbraw/zinc/88/83/53/568888353.db2.gz WUDDTHDRYIJQQD-UHFFFAOYSA-N 0 0 406.511 4.509 50 0 HJAARN O=C(OCCOc1ccc(Br)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000003362797 568888458 /nfs/dbraw/zinc/88/84/58/568888458.db2.gz LWCXGPQMUORDNR-UHFFFAOYSA-N 0 0 405.166 4.584 50 0 HJAARN CC(=O)N(c1nc(CSc2nnc(NC(C)C)s2)cs1)c1ccccc1 ZINC000003363142 568888578 /nfs/dbraw/zinc/88/85/78/568888578.db2.gz WLKUXZBJVBQULY-UHFFFAOYSA-N 0 0 405.574 4.792 50 0 HJAARN Cc1ccc2nc(NC(=O)c3nn(-c4ccccc4)c(=O)c4ccccc43)sc2c1 ZINC000003372575 568890863 /nfs/dbraw/zinc/89/08/63/568890863.db2.gz VRQUPOUTNFCGJE-UHFFFAOYSA-N 0 0 412.474 4.556 50 0 HJAARN CCc1nc2ccccc2c(C(=O)OCC(=O)c2cc(C)n([C@H](C)COC)c2C)c1C ZINC000003373674 568891073 /nfs/dbraw/zinc/89/10/73/568891073.db2.gz FVZUDZZCYWHSSM-MRXNPFEDSA-N 0 0 422.525 4.771 50 0 HJAARN CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(F)c(F)c1F ZINC000003391032 568894383 /nfs/dbraw/zinc/89/43/83/568894383.db2.gz FMRLWRSFSINIMF-IBGZPJMESA-N 0 0 406.448 4.795 50 0 HJAARN Cc1cccc(C)c1NC(=O)CCCSCC(=O)N1CCCc2cccc(F)c21 ZINC000058161729 568894589 /nfs/dbraw/zinc/89/45/89/568894589.db2.gz KEZUOKAUGHJYIX-UHFFFAOYSA-N 0 0 414.546 4.874 50 0 HJAARN CCn1c(SCC(=O)c2cc(C)n([C@@H](C)COC)c2C)nnc1-c1cccs1 ZINC000003391648 568894623 /nfs/dbraw/zinc/89/46/23/568894623.db2.gz POZUZAMRAWVWKJ-AWEZNQCLSA-N 0 0 418.588 4.627 50 0 HJAARN Cc1nc(NC(=O)COC(=O)c2cc3c(s2)CC[C@H](C)C3)c(Cl)cc1Cl ZINC000003393638 568895003 /nfs/dbraw/zinc/89/50/03/568895003.db2.gz RLJNHSZFSLRSHP-VIFPVBQESA-N 0 0 413.326 4.679 50 0 HJAARN CC(C)OCCCn1c(=O)c2ccc(Cl)cc2nc1SCc1cccnc1 ZINC000058167147 568895476 /nfs/dbraw/zinc/89/54/76/568895476.db2.gz JYJNQCSQWBSWDD-UHFFFAOYSA-N 0 0 403.935 4.552 50 0 HJAARN COc1ccc(-n2c(SC[C@@H]3CCCCO3)nnc2-c2ccccc2OC)cc1 ZINC000003401955 568896780 /nfs/dbraw/zinc/89/67/80/568896780.db2.gz MKLGKXLLEOYCIM-SFHVURJKSA-N 0 0 411.527 4.613 50 0 HJAARN Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)o2)c1 ZINC000003406979 568897234 /nfs/dbraw/zinc/89/72/34/568897234.db2.gz KABXKAZHXHKGRX-UHFFFAOYSA-N 0 0 421.881 4.789 50 0 HJAARN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)o1 ZINC000003406915 568897337 /nfs/dbraw/zinc/89/73/37/568897337.db2.gz BKXVJUWSFPDUDR-UHFFFAOYSA-N 0 0 410.282 4.783 50 0 HJAARN COc1ccc(-n2cnnc2S[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000003408158 568897412 /nfs/dbraw/zinc/89/74/12/568897412.db2.gz LUKZMCHLYPCGTG-NSHDSACASA-N 0 0 423.325 4.702 50 0 HJAARN COc1ccc(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(N(C)C)cc2)cc1 ZINC000003419619 568899465 /nfs/dbraw/zinc/89/94/65/568899465.db2.gz SSNXGWVRQTWBNJ-HSZRJFAPSA-N 0 0 413.521 4.804 50 0 HJAARN Cc1cc2occ(CC(=O)OCc3cc(=O)n4c5ccccc5sc4n3)c2cc1C ZINC000003431792 568901805 /nfs/dbraw/zinc/90/18/05/568901805.db2.gz UXJHQQIMXLOOJA-UHFFFAOYSA-N 0 0 418.474 4.558 50 0 HJAARN COc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)c(OC)c1 ZINC000003446710 568904777 /nfs/dbraw/zinc/90/47/77/568904777.db2.gz TUBLUSDHFYZZMW-UHFFFAOYSA-N 0 0 424.522 4.504 50 0 HJAARN Cc1ccccc1Nc1nnc(SCC(=O)N[C@@H](C)c2ccc(F)cc2)s1 ZINC000003465512 568907344 /nfs/dbraw/zinc/90/73/44/568907344.db2.gz LFAKYJBNGZKDKD-ZDUSSCGKSA-N 0 0 402.520 4.699 50 0 HJAARN Cc1noc2nc(C)cc(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cccc3)c12 ZINC000058265714 568907657 /nfs/dbraw/zinc/90/76/57/568907657.db2.gz GIGAGWVWAKTRCR-UHFFFAOYSA-N 0 0 400.360 4.901 50 0 HJAARN Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000003498797 568909918 /nfs/dbraw/zinc/90/99/18/568909918.db2.gz OAISUPQYWVYMKU-KRWDZBQOSA-N 0 0 415.522 4.757 50 0 HJAARN Fc1ccc([C@@H]2Cn3cnc(-c4nc(-c5ccc(Cl)c(F)c5)no4)c3CO2)cc1 ZINC000263617091 568911183 /nfs/dbraw/zinc/91/11/83/568911183.db2.gz MARINNXHGHKIOO-KRWDZBQOSA-N 0 0 414.799 4.803 50 0 HJAARN Cc1ccc([C@@H]2Cn3nc(C(=O)Nc4cccc(C(F)(F)F)c4)cc3CO2)cc1 ZINC000263618623 568912038 /nfs/dbraw/zinc/91/20/38/568912038.db2.gz UQRRQYOZYXCLNE-IBGZPJMESA-N 0 0 401.388 4.734 50 0 HJAARN CSc1ccc(-c2noc(-c3cc4n(n3)C[C@H](c3ccc(F)cc3)OC4)n2)cc1 ZINC000263618969 568912152 /nfs/dbraw/zinc/91/21/52/568912152.db2.gz WHKIRWRZVPWLBO-LJQANCHMSA-N 0 0 408.458 4.733 50 0 HJAARN CN(Cc1ccccc1OC(F)(F)F)C(=O)c1c[nH]c(=S)n1-c1ccccc1 ZINC000031076043 568912174 /nfs/dbraw/zinc/91/21/74/568912174.db2.gz IPWVQUHKXJROIP-UHFFFAOYSA-N 0 0 407.417 4.706 50 0 HJAARN O=C(COC(=O)CSc1cc(Cl)ccc1Cl)Nc1c(F)cccc1F ZINC000003525217 568912526 /nfs/dbraw/zinc/91/25/26/568912526.db2.gz KGCCUHLCYJYISV-UHFFFAOYSA-N 0 0 406.237 4.546 50 0 HJAARN CCCc1nc2sc3c(ncnc3S[C@H](C)C(=O)OC)c2c2c1CCCC2 ZINC000001303224 568913389 /nfs/dbraw/zinc/91/33/89/568913389.db2.gz WPSMKLZVYDCKEJ-LLVKDONJSA-N 0 0 401.557 4.724 50 0 HJAARN COc1ccc(-c2nnc(S[C@H](C)C(=O)N3CCc4ccccc43)n2C(C)C)cc1 ZINC000003544866 568914146 /nfs/dbraw/zinc/91/41/46/568914146.db2.gz GLWNZLXLASNKQP-MRXNPFEDSA-N 0 0 422.554 4.605 50 0 HJAARN COc1ccc(C(=O)Oc2c3ccccc3oc(=O)c2Cc2ccccc2)cc1OC ZINC000001321786 568914497 /nfs/dbraw/zinc/91/44/97/568914497.db2.gz WOEBIQIEPVCXRE-UHFFFAOYSA-N 0 0 416.429 4.620 50 0 biogenic HJAARN CC(C)CCOC(=O)[C@H]1C(=O)Oc2ccc(Br)cc2[C@@H]1c1ccccc1 ZINC000001322385 568914781 /nfs/dbraw/zinc/91/47/81/568914781.db2.gz SIEQNYRGGIAZML-OALUTQOASA-N 0 0 417.299 4.706 50 0 biogenic HJAARN O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](Sc1nnnn1C1CC1)c1ccccc1 ZINC000012692454 568915579 /nfs/dbraw/zinc/91/55/79/568915579.db2.gz KHQMJFKCCXPBEA-MRXNPFEDSA-N 0 0 420.325 4.787 50 0 HJAARN O=C(CSc1nc(-c2ccccc2)ns1)Nc1ccc(Br)cc1 ZINC000004167238 568919541 /nfs/dbraw/zinc/91/95/41/568919541.db2.gz WIKBCKZRZLXNPT-UHFFFAOYSA-N 0 0 406.330 4.698 50 0 HJAARN COc1ccc(-c2nc(CCNC(=O)c3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000004167097 568919601 /nfs/dbraw/zinc/91/96/01/568919601.db2.gz XKNUNQFEMRJEDL-UHFFFAOYSA-N 0 0 406.429 4.810 50 0 HJAARN O=C(NCc1ccc(Cl)cc1)c1ccc2c(=O)n(-c3ccccc3)c(=S)[nH]c2c1 ZINC000003630389 568921265 /nfs/dbraw/zinc/92/12/65/568921265.db2.gz OAUZTXGTFSXQNL-UHFFFAOYSA-N 0 0 421.909 4.632 50 0 HJAARN COc1cccc(NC(=O)COc2ccc(-c3nccc(-c4cccs4)n3)cc2)c1 ZINC000001383626 568922096 /nfs/dbraw/zinc/92/20/96/568922096.db2.gz LOPLXQLMADGJSZ-UHFFFAOYSA-N 0 0 417.490 4.898 50 0 HJAARN O=S(=O)(c1nc(-c2ccc(F)cc2)oc1NCc1ccccc1)c1ccccc1 ZINC000003642045 568922130 /nfs/dbraw/zinc/92/21/30/568922130.db2.gz OILNEPOBARRLRR-UHFFFAOYSA-N 0 0 408.454 4.926 50 0 aggregator HJAARN O=C(Nc1cc2c(-c3ccccc3)nn(-c3ccccc3)c2oc1=O)c1ccccc1 ZINC000001387883 568922891 /nfs/dbraw/zinc/92/28/91/568922891.db2.gz QONNXRLUCIBBIR-UHFFFAOYSA-N 0 0 407.429 4.898 50 0 HJAARN O=C(Nc1ccc(-c2ccc(Br)cc2)oc1=O)c1ccc(Cl)cc1 ZINC000001389089 568923200 /nfs/dbraw/zinc/92/32/00/568923200.db2.gz OVNAFBNZLJDJCE-UHFFFAOYSA-N 0 0 404.647 4.975 50 0 HJAARN O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H]1c1nc(-c2cccc(Cl)c2)no1 ZINC000001389899 568923399 /nfs/dbraw/zinc/92/33/99/568923399.db2.gz SBNBABZHHCTYEC-INIZCTEOSA-N 0 0 424.309 4.569 50 0 HJAARN O=C(Cn1c(=O)oc2cc(Cl)ccc21)N(CCc1ccccc1)Cc1ccccc1 ZINC000003662086 568923651 /nfs/dbraw/zinc/92/36/51/568923651.db2.gz HRQJTPCHSGLAOC-UHFFFAOYSA-N 0 0 420.896 4.519 50 0 HJAARN O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1cc(Cl)cc(Cl)c1 ZINC000012734910 568923800 /nfs/dbraw/zinc/92/38/00/568923800.db2.gz BFDXVEGCVBBRIX-UHFFFAOYSA-N 0 0 401.175 4.845 50 0 HJAARN CC[C@H](C(=O)NCc1cc2cc(OC)ccc2[nH]1)n1cc(C(C)=O)c2ccccc21 ZINC000670449724 568925170 /nfs/dbraw/zinc/92/51/70/568925170.db2.gz MRJCNNKBDFTEOH-JOCHJYFZSA-N 0 0 403.482 4.601 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)c2csc(COc3ccc(C)cc3)n2)cc1Cl ZINC000012737932 568925321 /nfs/dbraw/zinc/92/53/21/568925321.db2.gz JJRFGHDLXGIELB-UHFFFAOYSA-N 0 0 415.902 4.895 50 0 HJAARN CC(=O)N[C@H](CC(=O)Nc1cccc(COc2cccc(F)c2)c1)c1ccccc1 ZINC000031397562 568925528 /nfs/dbraw/zinc/92/55/28/568925528.db2.gz XHEOCCUZBTVDSL-HSZRJFAPSA-N 0 0 406.457 4.611 50 0 HJAARN COc1cccc(-c2c[nH]c([C@H]3CCCN3C(=O)C[C@H]3CCOc4ccccc43)n2)c1 ZINC000083973766 568929220 /nfs/dbraw/zinc/92/92/20/568929220.db2.gz BAQPDALSLIAGOY-VGOFRKELSA-N 0 0 417.509 4.705 50 0 HJAARN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 ZINC000031721774 568929763 /nfs/dbraw/zinc/92/97/63/568929763.db2.gz WYGWLWRLQDJAPC-UHFFFAOYSA-N 0 0 421.584 4.501 50 0 HJAARN COc1ccccc1C(=O)Nc1ncc(Cc2ccccc2Br)s1 ZINC000012745255 568931216 /nfs/dbraw/zinc/93/12/16/568931216.db2.gz LWLKZMPLTTXUKM-UHFFFAOYSA-N 0 0 403.301 4.757 50 0 HJAARN Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000084025464 568933122 /nfs/dbraw/zinc/93/31/22/568933122.db2.gz ZUXORKHGMURVIA-UHFFFAOYSA-N 0 0 407.495 4.721 50 0 HJAARN CC(C)N1c2ccccc2/C(=C\c2nc3ccccc3c(=O)n2-c2ccccc2)C1=O ZINC000031829104 568933418 /nfs/dbraw/zinc/93/34/18/568933418.db2.gz JQVDKZGPMNGDQC-LTGZKZEYSA-N 0 0 407.473 4.681 50 0 HJAARN Cc1ccc(-c2csc3ncn(CC(=O)Nc4cccc(C)c4C)c(=O)c23)s1 ZINC000012747377 568933479 /nfs/dbraw/zinc/93/34/79/568933479.db2.gz JKAZWURITRSELG-UHFFFAOYSA-N 0 0 409.536 4.750 50 0 HJAARN O=C(Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1Cl)c2=O)[C@@H]1CCCO1 ZINC000004043296 568936003 /nfs/dbraw/zinc/93/60/03/568936003.db2.gz AGDROMOVIYBYPN-KRWDZBQOSA-N 0 0 405.233 4.851 50 0 HJAARN O=C(Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1Cl)c2=O)[C@H]1CCCO1 ZINC000004043298 568936127 /nfs/dbraw/zinc/93/61/27/568936127.db2.gz AGDROMOVIYBYPN-QGZVFWFLSA-N 0 0 405.233 4.851 50 0 HJAARN COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCc3ccoc3C=O)[C@H](COC(C)=O)CC[C@@H]21 ZINC000004073407 568937760 /nfs/dbraw/zinc/93/77/60/568937760.db2.gz ZHHSQWXVDIXZCB-QSGVDLIZSA-N 0 0 418.530 4.600 50 0 biogenic HJAARN COc1cc(OC)cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3Cl)s2)c1 ZINC000004070422 568937823 /nfs/dbraw/zinc/93/78/23/568937823.db2.gz FWFCZNYFUKJYCF-UHFFFAOYSA-N 0 0 410.282 4.781 50 0 HJAARN Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3cc(C)nc(C(C)C)n3)c12 ZINC000084114295 568938271 /nfs/dbraw/zinc/93/82/71/568938271.db2.gz OTYGRXFTWQBIBA-UHFFFAOYSA-N 0 0 406.534 4.846 50 0 HJAARN CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc3ccccc3c2)c(Cl)cc1Cl ZINC000001425291 568939003 /nfs/dbraw/zinc/93/90/03/568939003.db2.gz RLMKJLDILGMCTG-UHFFFAOYSA-N 0 0 423.321 4.649 50 0 HJAARN Cc1cccc(C(=O)NC(=O)Nc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)c1 ZINC000001428133 568939651 /nfs/dbraw/zinc/93/96/51/568939651.db2.gz OAUAXLQMHXTJMF-UHFFFAOYSA-N 0 0 418.350 4.572 50 0 HJAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc2ccccc2cc1O ZINC000012750570 568940328 /nfs/dbraw/zinc/94/03/28/568940328.db2.gz JYFFERJBLZGYSC-UHFFFAOYSA-N 0 0 403.265 4.563 50 0 HJAARN CCOC(=O)c1c(NC(=O)c2cccc3ccccc32)sc2c1CCN(CC)C2 ZINC000004086895 568940480 /nfs/dbraw/zinc/94/04/80/568940480.db2.gz NEFRCSKWPGJWAY-UHFFFAOYSA-N 0 0 408.523 4.708 50 0 HJAARN O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1cc2cc(Cl)ccc2o1 ZINC000019204488 568940952 /nfs/dbraw/zinc/94/09/52/568940952.db2.gz VVZNASWVAKPQHF-UHFFFAOYSA-N 0 0 406.751 4.938 50 0 HJAARN CCOC(=O)c1ccoc1CNc1cccc(C(=O)N2CCc3sccc3C2)c1C ZINC000012752057 568941226 /nfs/dbraw/zinc/94/12/26/568941226.db2.gz JCMGDUUCSOFBAQ-UHFFFAOYSA-N 0 0 424.522 4.637 50 0 HJAARN CC(C)(C)c1ccc(-c2csc(NC(=O)Cn3cnc4sccc4c3=O)n2)cc1 ZINC000012759698 568944020 /nfs/dbraw/zinc/94/40/20/568944020.db2.gz CJROUUSYOFQGTG-UHFFFAOYSA-N 0 0 424.551 4.518 50 0 HJAARN Cc1ccccc1C(=O)NC(=S)Nc1ccc(-c2nc3ncccc3o2)cc1C ZINC000004122483 568944997 /nfs/dbraw/zinc/94/49/97/568944997.db2.gz WRMPBVBMPWUALI-UHFFFAOYSA-N 0 0 402.479 4.633 50 0 HJAARN Cc1ccn(-c2ccccc2NC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)n1 ZINC000084248029 568945080 /nfs/dbraw/zinc/94/50/80/568945080.db2.gz XCTVEWBVBHRDMM-UHFFFAOYSA-N 0 0 410.477 4.710 50 0 HJAARN COc1ccc(F)cc1CN(Cc1ccco1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000012761702 568946033 /nfs/dbraw/zinc/94/60/33/568946033.db2.gz MSMNMSRECOVTHF-UHFFFAOYSA-N 0 0 408.473 4.522 50 0 HJAARN COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)c2cccs2)cc1 ZINC000004142160 568946353 /nfs/dbraw/zinc/94/63/53/568946353.db2.gz BVQXTGXJFDJQDB-IBGZPJMESA-N 0 0 422.506 4.765 50 0 HJAARN CCC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1cc2cc(OC)ccc2nc1Cl ZINC000004165103 568947928 /nfs/dbraw/zinc/94/79/28/568947928.db2.gz GZHFKXAQPYQDKL-NRFANRHFSA-N 0 0 423.900 4.993 50 0 HJAARN COc1ccc(CN(C)Cc2nc(=O)c3c([nH]2)sc(C)c3-c2ccc(C)cc2)cc1 ZINC000012765781 568948281 /nfs/dbraw/zinc/94/82/81/568948281.db2.gz ONPWWQVAVHREIP-UHFFFAOYSA-N 0 0 419.550 4.909 50 0 HJAARN CC[C@@H](Sc1ccccc1)C(=O)Nc1nnc(-c2ccc(OC)cc2OC)s1 ZINC000004174681 568948502 /nfs/dbraw/zinc/94/85/02/568948502.db2.gz KITWPRJVIZQZAV-QGZVFWFLSA-N 0 0 415.540 4.732 50 0 HJAARN COc1cccc(C(=O)Nc2c3c(nn2-c2cc(C)cc(C)c2)CSC3)c1OC ZINC000004176167 568948633 /nfs/dbraw/zinc/94/86/33/568948633.db2.gz QNNQZDNEYLMWSN-UHFFFAOYSA-N 0 0 409.511 4.505 50 0 HJAARN Cc1ccc(C)c(C(=O)COC(=O)c2cccc(NC(=O)Cc3ccccc3)c2)c1 ZINC000004178458 568949029 /nfs/dbraw/zinc/94/90/29/568949029.db2.gz VEPKVTGUGJCFRY-UHFFFAOYSA-N 0 0 401.462 4.524 50 0 HJAARN O=C(c1csc(-c2ccc(Cl)s2)n1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000084445405 568949171 /nfs/dbraw/zinc/94/91/71/568949171.db2.gz HENAJMSCFWJEFT-VXGBXAGGSA-N 0 0 415.005 4.652 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)CN(C)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000012767732 568949358 /nfs/dbraw/zinc/94/93/58/568949358.db2.gz XAEIXURBMRDWNE-UHFFFAOYSA-N 0 0 420.296 4.728 50 0 HJAARN O=C(COc1nnc(-c2ccccc2)o1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000084569210 568951185 /nfs/dbraw/zinc/95/11/85/568951185.db2.gz AEWOFHFSDOZBRP-KRWDZBQOSA-N 0 0 418.280 4.786 50 0 HJAARN CC(C)Oc1ccc(-c2nc(C(=O)Nc3ccc4oc(=O)ccc4c3)cs2)cc1 ZINC000084621986 568953342 /nfs/dbraw/zinc/95/33/42/568953342.db2.gz FGEQWAYBSKFTOS-UHFFFAOYSA-N 0 0 406.463 4.956 50 0 HJAARN O=C(Nc1nc2c(s1)CCCC2)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000004248115 568953720 /nfs/dbraw/zinc/95/37/20/568953720.db2.gz YKIQVKFSDXTAAR-IBGZPJMESA-N 0 0 404.491 4.728 50 0 HJAARN COc1ccc(-n2ccnc2SCC(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1 ZINC000004248694 568953750 /nfs/dbraw/zinc/95/37/50/568953750.db2.gz OXHGOJZXBVMSEY-UHFFFAOYSA-N 0 0 417.918 4.582 50 0 HJAARN Cc1csc2nc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)cn12 ZINC000004249075 568953870 /nfs/dbraw/zinc/95/38/70/568953870.db2.gz VISWIACYRAQBQM-UHFFFAOYSA-N 0 0 402.273 4.979 50 0 HJAARN CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)nc2ccccc2c1=O ZINC000012776638 568955221 /nfs/dbraw/zinc/95/52/21/568955221.db2.gz PUVAAZRGGJKZSB-LBPRGKRZSA-N 0 0 421.444 4.555 50 0 HJAARN Fc1ccccc1-c1nnc(SCc2nnsc2Cl)n1Cc1ccccc1 ZINC000012781221 568957754 /nfs/dbraw/zinc/95/77/54/568957754.db2.gz WGAWBBONDXWIKO-UHFFFAOYSA-N 0 0 417.922 4.930 50 0 HJAARN CCCN(C)c1ccc(C(=O)N[C@@H](C)c2ccc(NC(=O)N(CC)CC)cc2)cc1 ZINC000084750263 568958087 /nfs/dbraw/zinc/95/80/87/568958087.db2.gz AAJXOXBMWRLEOZ-SFHVURJKSA-N 0 0 410.562 4.898 50 0 HJAARN COc1ccccc1[C@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1c1cc(C)on1 ZINC000004301846 568960171 /nfs/dbraw/zinc/96/01/71/568960171.db2.gz FDOQHIWTGIMCCS-IBGZPJMESA-N 0 0 422.824 4.501 50 0 HJAARN COc1ccc(CCC(=O)NC[C@H](c2cccs2)N2CCc3ccccc32)cc1 ZINC000004305554 568960312 /nfs/dbraw/zinc/96/03/12/568960312.db2.gz VCNLBNLWYJZMRZ-JOCHJYFZSA-N 0 0 406.551 4.610 50 0 HJAARN Cc1cccc(-n2ncc3c4nnc(COc5cc(C)ccc5C(C)C)n4cnc32)c1 ZINC000005081597 568960614 /nfs/dbraw/zinc/96/06/14/568960614.db2.gz FCVBBOOLKRRZLF-UHFFFAOYSA-N 0 0 412.497 4.782 50 0 HJAARN Cc1ccc(-c2c[nH]c(SCCNC(=O)c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000004315447 568961702 /nfs/dbraw/zinc/96/17/02/568961702.db2.gz AMTOKDIRPGYNIV-UHFFFAOYSA-N 0 0 405.445 4.926 50 0 HJAARN CC(=O)N1CCc2c(sc(NC(=O)C(C)(C)C)c2-c2nc3ccccc3s2)C1 ZINC000004275249 568962092 /nfs/dbraw/zinc/96/20/92/568962092.db2.gz QGNQDDAPSAVFDT-UHFFFAOYSA-N 0 0 413.568 4.914 50 0 HJAARN COc1cccc(-n2nnc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)c1 ZINC000004316303 568962165 /nfs/dbraw/zinc/96/21/65/568962165.db2.gz VACYPLJKHCGEPJ-UHFFFAOYSA-N 0 0 400.438 4.629 50 0 HJAARN COc1cc(OC)c(N(C)C(=O)c2noc3c2CSc2ccccc2-3)cc1Cl ZINC000015673946 568963041 /nfs/dbraw/zinc/96/30/41/568963041.db2.gz JMWSQBOTGDGENH-UHFFFAOYSA-N 0 0 416.886 4.895 50 0 HJAARN Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2)cc1C ZINC000007983359 568963986 /nfs/dbraw/zinc/96/39/86/568963986.db2.gz NWPOCPYEOGLPIQ-CQSZACIVSA-N 0 0 420.962 4.630 50 0 HJAARN CC(C)[C@H](NC(=O)Cc1csc(-c2ccc(F)cc2)n1)c1nc2ccccc2[nH]1 ZINC000007986456 568964728 /nfs/dbraw/zinc/96/47/28/568964728.db2.gz CEZGQFGSIYRKCL-FQEVSTJZSA-N 0 0 408.502 4.882 50 0 HJAARN COC(=O)c1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n3c2CCCCC3)cc1 ZINC000015677721 568966147 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CCC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H](C)CCc1ccccc1 ZINC000006085351 568997571 /nfs/dbraw/zinc/99/75/71/568997571.db2.gz XQVVRHRFBXOJSB-HNNXBMFYSA-N 0 0 418.331 4.558 50 0 HJAARN CC(=O)c1cccc(OCC(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)c1 ZINC000008395063 568999146 /nfs/dbraw/zinc/99/91/46/568999146.db2.gz KCVFCHKQIOQSCW-UHFFFAOYSA-N 0 0 420.534 4.837 50 0 HJAARN COc1cccc(Cn2c(C)c(C[NH2+]CCCc3ccccc3)c(C(=O)[O-])c2C)c1 ZINC000015777068 568999510 /nfs/dbraw/zinc/99/95/10/568999510.db2.gz LLBSPKZAVZMUGM-UHFFFAOYSA-N 0 0 406.526 4.582 50 0 HJAARN COc1ccc(Cn2c(C)c(C[NH2+]CCc3ccc(C)cc3)c(C(=O)[O-])c2C)cc1 ZINC000015777226 568999696 /nfs/dbraw/zinc/99/96/96/568999696.db2.gz XDNCZLNXEUILFU-UHFFFAOYSA-N 0 0 406.526 4.501 50 0 HJAARN Cc1cc([C@@H](Nc2nc(C)cc(C)n2)c2cccnc2)c(NC(=O)c2ccco2)s1 ZINC000038547993 569000761 /nfs/dbraw/zinc/00/07/61/569000761.db2.gz MEYMMLMDQYDGAG-IBGZPJMESA-N 0 0 419.510 4.905 50 0 HJAARN O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(Cl)cc1N1CCCC1=O ZINC000008401519 569000916 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O=C(Nc1cccc(CCc2nc3ccccc3[nH]2)c1)c1cc2ccccc2oc1=O ZINC000015863640 569016199 /nfs/dbraw/zinc/01/61/99/569016199.db2.gz NNDUNVHHSGPKIA-UHFFFAOYSA-N 0 0 409.445 4.707 50 0 HJAARN O=C(CCc1nc2ccccc2[nH]1)Nc1ccc2[nH]c(CCc3ccccc3)nc2c1 ZINC000015863901 569016311 /nfs/dbraw/zinc/01/63/11/569016311.db2.gz CNMNFNXOHDKZKX-UHFFFAOYSA-N 0 0 409.493 4.796 50 0 HJAARN Cc1ccc(S(=O)(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)cc1C ZINC000015870542 569017393 /nfs/dbraw/zinc/01/73/93/569017393.db2.gz YPBZEVVIUHWXNL-UHFFFAOYSA-N 0 0 419.550 4.776 50 0 HJAARN C[C@H](Oc1ccc(-c2nnco2)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000006177904 569017564 /nfs/dbraw/zinc/01/75/64/569017564.db2.gz NSIGMDIEDAHRHR-KRWDZBQOSA-N 0 0 415.449 4.722 50 0 HJAARN CCOc1ccccc1NC(=O)Cn1c(-c2nnc(C(C)C)o2)cc2ccccc21 ZINC000015881505 569018556 /nfs/dbraw/zinc/01/85/56/569018556.db2.gz SOGKPWJRAOOAAV-UHFFFAOYSA-N 0 0 404.470 4.852 50 0 HJAARN Cc1ccc(NC(=O)CN(C)C(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1 ZINC000012881579 569018904 /nfs/dbraw/zinc/01/89/04/569018904.db2.gz GLBCAZHUUSJIAB-UHFFFAOYSA-N 0 0 420.896 4.590 50 0 HJAARN COc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3ccc(C(C)(C)C)cc3)n[nH]2)cc1 ZINC000021167961 569019022 /nfs/dbraw/zinc/01/90/22/569019022.db2.gz HREOCKMPXCQPHH-AWEZNQCLSA-N 0 0 410.543 4.897 50 0 HJAARN Cc1cccc2sc(NC(=O)c3ccc(=O)n(Cc4ccc(Cl)cc4)c3)nc21 ZINC000015883011 569019206 /nfs/dbraw/zinc/01/92/06/569019206.db2.gz QCQAWQJBJKOCTH-UHFFFAOYSA-N 0 0 409.898 4.720 50 0 HJAARN CCOc1ccc(NC(=O)c2cccn(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1 ZINC000015882836 569019239 /nfs/dbraw/zinc/01/92/39/569019239.db2.gz RCJQDXQYKMLJIS-UHFFFAOYSA-N 0 0 416.399 4.566 50 0 HJAARN O=C(CN(Cc1ccco1)C(=O)Cc1c(Cl)cccc1Cl)Nc1ccccc1 ZINC000012896887 569020301 /nfs/dbraw/zinc/02/03/01/569020301.db2.gz JDQSMCYFCIRXFC-UHFFFAOYSA-N 0 0 417.292 4.796 50 0 HJAARN COc1ccc(C(=O)C2CCN(Cc3csc(-c4ccc(OC)cc4)n3)CC2)cc1 ZINC000012905658 569021226 /nfs/dbraw/zinc/02/12/26/569021226.db2.gz CUSZEGILKYOVII-UHFFFAOYSA-N 0 0 422.550 4.922 50 0 HJAARN Cc1ccccc1-c1noc(Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)n1 ZINC000012909711 569021432 /nfs/dbraw/zinc/02/14/32/569021432.db2.gz MAMWLBKNMJZNOE-UHFFFAOYSA-N 0 0 418.453 4.671 50 0 HJAARN CCN(C(=O)c1ccccc1I)c1nc2ccccc2s1 ZINC000012911739 569021727 /nfs/dbraw/zinc/02/17/27/569021727.db2.gz DJAGKNZHASKUDB-UHFFFAOYSA-N 0 0 408.264 4.568 50 0 HJAARN C[C@@H](NC(=O)CCSCCOc1ccc(Br)cc1)c1ccccc1 ZINC000012913353 569022017 /nfs/dbraw/zinc/02/20/17/569022017.db2.gz UYPHTKMEDRMIEX-OAHLLOKOSA-N 0 0 408.361 4.829 50 0 HJAARN CCC(=O)Nc1cccc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c32)c1 ZINC000012917279 569022425 /nfs/dbraw/zinc/02/24/25/569022425.db2.gz RXJIHHBQUFEJFG-UHFFFAOYSA-N 0 0 400.438 4.799 50 0 HJAARN Cc1c(-c2ccccc2)sc2ncn(Cc3noc(-c4ccc(F)cc4)n3)c(=O)c12 ZINC000012926019 569023771 /nfs/dbraw/zinc/02/37/71/569023771.db2.gz BZSMDCPHMIRTGE-UHFFFAOYSA-N 0 0 418.453 4.671 50 0 HJAARN Cc1cccc(C)c1NC(=O)[C@H](C)Oc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000012931465 569024798 /nfs/dbraw/zinc/02/47/98/569024798.db2.gz PPMOXQXYCKWPGR-SFHVURJKSA-N 0 0 404.514 4.694 50 0 HJAARN Cc1nc(CSc2ccccc2C(=O)Nc2cccc(OC(F)(F)F)c2)no1 ZINC000012931821 569024832 /nfs/dbraw/zinc/02/48/32/569024832.db2.gz LQBJOBPRSVQISH-UHFFFAOYSA-N 0 0 409.389 4.821 50 0 HJAARN CCOC(=O)c1cc(-c2cc(C(=O)OCC)c3ccccc3n2)nc2ccccc21 ZINC000001622212 569031317 /nfs/dbraw/zinc/03/13/17/569031317.db2.gz MHTKEFREHDUDMW-UHFFFAOYSA-N 0 0 400.434 4.803 50 0 HJAARN O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CC[C@@H](Oc2ccncc2Cl)C1 ZINC000575610623 569032349 /nfs/dbraw/zinc/03/23/49/569032349.db2.gz LMKJAXLBHLMRDQ-QGZVFWFLSA-N 0 0 419.868 4.837 50 0 HJAARN COc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2ccc(Cl)cc2)cs1 ZINC000035375310 569033993 /nfs/dbraw/zinc/03/39/93/569033993.db2.gz ZWKXHOMLDNETLR-UHFFFAOYSA-N 0 0 416.890 4.630 50 0 HJAARN O=c1c2c(ncn1Cc1ccc(F)cc1)c1ccccc1n2Cc1ccccc1F ZINC000035400218 569035422 /nfs/dbraw/zinc/03/54/22/569035422.db2.gz WVBLRJOLBZKQJW-UHFFFAOYSA-N 0 0 401.416 4.726 50 0 HJAARN COc1cccc(Cn2cnc3c4ccccc4n(Cc4ccccc4F)c3c2=O)c1 ZINC000035400272 569035446 /nfs/dbraw/zinc/03/54/46/569035446.db2.gz QINUCGVOLNMLMY-UHFFFAOYSA-N 0 0 413.452 4.596 50 0 HJAARN CCc1nnc(-c2cn(CC(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc23)o1 ZINC000035422911 569036307 /nfs/dbraw/zinc/03/63/07/569036307.db2.gz LFCAITFVRXAZAR-UHFFFAOYSA-N 0 0 414.387 4.911 50 0 HJAARN C[C@@H](Cc1ccco1)NC(=O)c1ccccc1NC(=O)c1nsc2ccccc21 ZINC000035447701 569037414 /nfs/dbraw/zinc/03/74/14/569037414.db2.gz NFYRLDHOXXFUAI-AWEZNQCLSA-N 0 0 405.479 4.503 50 0 HJAARN C[C@@H](NC(=O)c1ccccc1)c1nc(-c2ccc3c(c2)ncn3C2CCCC2)no1 ZINC000035453723 569037828 /nfs/dbraw/zinc/03/78/28/569037828.db2.gz LCCJCKJZLSHUFJ-OAHLLOKOSA-N 0 0 401.470 4.692 50 0 HJAARN CCc1nnc2c(Oc3cccc(NC(=O)c4cccs4)c3)nc3ccccc3n12 ZINC000035461128 569038249 /nfs/dbraw/zinc/03/82/49/569038249.db2.gz MCCURPIAMATGAF-UHFFFAOYSA-N 0 0 415.478 4.946 50 0 HJAARN O=C(c1cc2nc(C3CC3)cc(C(F)F)n2n1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000035476352 569038302 /nfs/dbraw/zinc/03/83/02/569038302.db2.gz FJHFJPAZFYGZGM-QGZVFWFLSA-N 0 0 400.404 4.661 50 0 HJAARN COc1ccc(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc32)c(OC)c1 ZINC000035478596 569038519 /nfs/dbraw/zinc/03/85/19/569038519.db2.gz WOPVNTWECKPOOC-UHFFFAOYSA-N 0 0 409.461 4.761 50 0 HJAARN Cc1ccc(-c2nc3ccccc3n2CCNS(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000035481664 569039486 /nfs/dbraw/zinc/03/94/86/569039486.db2.gz MOGBEZJHTNMLGH-UHFFFAOYSA-N 0 0 419.550 4.607 50 0 HJAARN Cc1ccc(-c2nc3ccccc3n2CCNS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000035481663 569039499 /nfs/dbraw/zinc/03/94/99/569039499.db2.gz BKHPJHGPDDSIID-UHFFFAOYSA-N 0 0 419.550 4.607 50 0 HJAARN Cc1ccc(-c2nccc(N3CCC[C@H](C(=O)N[C@@H](C)c4ccc(C)cc4)C3)n2)cc1 ZINC000035483028 569039597 /nfs/dbraw/zinc/03/95/97/569039597.db2.gz FZXINYXLGSBQNE-REWPJTCUSA-N 0 0 414.553 4.854 50 0 HJAARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1 ZINC000035502617 569040437 /nfs/dbraw/zinc/04/04/37/569040437.db2.gz NYUJOMFDDUPMCA-UHFFFAOYSA-N 0 0 424.460 4.546 50 0 HJAARN COc1cc(NC(=O)c2nn(C)c3c2CSc2ccc(Cl)cc2-3)cc(OC)c1 ZINC000035506703 569040932 /nfs/dbraw/zinc/04/09/32/569040932.db2.gz GCPWJFRZMJMSDM-UHFFFAOYSA-N 0 0 415.902 4.616 50 0 HJAARN Cc1nc(-c2ccccc2F)sc1CNC(=O)[C@H](C)Oc1ccccc1Cl ZINC000090592918 569041567 /nfs/dbraw/zinc/04/15/67/569041567.db2.gz MNLREZQSFYDRQJ-ZDUSSCGKSA-N 0 0 404.894 4.995 50 0 HJAARN COc1ccc(NC(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)c(OC)c1 ZINC000006771952 569041877 /nfs/dbraw/zinc/04/18/77/569041877.db2.gz RJSZLTWZFNTTNT-UHFFFAOYSA-N 0 0 411.458 4.710 50 0 HJAARN CCOC(=O)c1ccc(NC(=O)Nc2cc(F)c3nc(N4CCCC4)ccc3c2)cc1 ZINC000035514697 569043271 /nfs/dbraw/zinc/04/32/71/569043271.db2.gz GOROZHNGTVEFLQ-UHFFFAOYSA-N 0 0 422.460 4.795 50 0 HJAARN O=C(NCCCc1ccccc1)c1ccc(Oc2nccnc2N2CCCCC2)cc1 ZINC000035527904 569043935 /nfs/dbraw/zinc/04/39/35/569043935.db2.gz QIYPSNIASSWSJM-UHFFFAOYSA-N 0 0 416.525 4.622 50 0 HJAARN CC(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000035527839 569043963 /nfs/dbraw/zinc/04/39/63/569043963.db2.gz VYBHJSOLQHQTCX-LJQANCHMSA-N 0 0 415.490 4.525 50 0 HJAARN O=C(c1cccc(F)c1)N(Cc1ccc(F)cc1F)C[C@H]1CC(c2ccccc2)=NO1 ZINC000035529143 569044127 /nfs/dbraw/zinc/04/41/27/569044127.db2.gz OUUREVPCGJTCGK-OAQYLSRUSA-N 0 0 424.422 4.940 50 0 HJAARN O=c1c2sccc2n2c(SCc3ccccc3)nnc2n1CCc1ccccc1 ZINC000035529401 569044166 /nfs/dbraw/zinc/04/41/66/569044166.db2.gz CJMJRLCBVDVVHE-UHFFFAOYSA-N 0 0 418.547 4.641 50 0 HJAARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(C(F)(F)F)c1 ZINC000006331111 569044193 /nfs/dbraw/zinc/04/41/93/569044193.db2.gz HMPPZJMSZQYYGF-UHFFFAOYSA-N 0 0 405.203 4.723 50 0 HJAARN COc1ccc(-c2csc(NC(=O)c3ccc(OC(F)F)cc3)n2)cc1OC ZINC000006334047 569044217 /nfs/dbraw/zinc/04/42/17/569044217.db2.gz FCWCTDVQCHHIAI-UHFFFAOYSA-N 0 0 406.410 4.681 50 0 HJAARN O=C(CSc1nc2ccccc2c(-c2ccccc2)n1)N1CCc2ccccc2C1 ZINC000006344737 569045280 /nfs/dbraw/zinc/04/52/80/569045280.db2.gz WOSHRTVUIHIDCE-UHFFFAOYSA-N 0 0 411.530 4.974 50 0 HJAARN O=C(C[C@@H](c1c[nH]c2ccccc21)c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000035579560 569046085 /nfs/dbraw/zinc/04/60/85/569046085.db2.gz MWNKXGUIHZXCFV-GOSISDBHSA-N 0 0 402.416 4.568 50 0 HJAARN CC(=O)Nc1cccc(Oc2nc(-c3cccnc3)nc3sc4c(c32)CCC4)c1 ZINC000006399050 569046679 /nfs/dbraw/zinc/04/66/79/569046679.db2.gz USVSJHKFUZZNSF-UHFFFAOYSA-N 0 0 402.479 4.993 50 0 HJAARN COc1ccc(-c2nc(NC(=O)CCc3ccc(OC)c(OC)c3)sc2C)cc1 ZINC000006418207 569046975 /nfs/dbraw/zinc/04/69/75/569046975.db2.gz JLYMNEZGLFSELT-UHFFFAOYSA-N 0 0 412.511 4.716 50 0 HJAARN CCOC(=O)c1ccc2nc(NC(=O)c3c(C)noc3-c3ccccc3)sc2c1 ZINC000035671397 569048497 /nfs/dbraw/zinc/04/84/97/569048497.db2.gz WPLIQDHOYMAMOL-UHFFFAOYSA-N 0 0 407.451 4.689 50 0 HJAARN CCOc1ccc(-c2cc(C(=O)N3CCC(c4nc5ccccc5o4)CC3)no2)cc1 ZINC000035673059 569048632 /nfs/dbraw/zinc/04/86/32/569048632.db2.gz ZNANJNQLZOKHKD-UHFFFAOYSA-N 0 0 417.465 4.901 50 0 HJAARN COc1ccc(C)cc1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000013002203 569049218 /nfs/dbraw/zinc/04/92/18/569049218.db2.gz QEPQWGJCDHZXDU-UHFFFAOYSA-N 0 0 402.903 4.874 50 0 HJAARN COC(=O)c1ccc2c(c1)nc(CN(Cc1ccc(F)cc1)C1CCCCC1)[nH]c2=O ZINC000013011251 569050136 /nfs/dbraw/zinc/05/01/36/569050136.db2.gz FZDYGEJHBJOOEZ-UHFFFAOYSA-N 0 0 423.488 4.596 50 0 HJAARN COC(=O)c1occc1CSc1nc2ccccc2c(=O)n1[C@@H](C)c1ccccc1 ZINC000013017055 569050912 /nfs/dbraw/zinc/05/09/12/569050912.db2.gz WGXIKZXWBGIRNK-HNNXBMFYSA-N 0 0 420.490 4.678 50 0 HJAARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(-c3ccccc3)cc2)cc1 ZINC000239347262 569054258 /nfs/dbraw/zinc/05/42/58/569054258.db2.gz MOLSDNAPSHRQLC-YTMVLYRLSA-N 0 0 416.524 6.904 50 0 HJAARN O=C(Nc1cccc(Br)c1)[C@H]1[C@@H]2CC[C@@H]3[C@H](CC[C@H]21)C3(Cl)Cl ZINC000239433782 569054386 /nfs/dbraw/zinc/05/43/86/569054386.db2.gz YLNAXLXLRCUAOJ-ZSAUSMIDSA-N 0 0 403.147 5.244 50 0 HJAARN COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2OC)cc1 ZINC000239433476 569054408 /nfs/dbraw/zinc/05/44/08/569054408.db2.gz XSYIZUWAJHLRBD-URXFXBBRSA-N 0 0 420.896 5.600 50 0 HJAARN Cc1ccc(C)c(NC(=O)CN2CC[C@]3(O)CCCC[C@H]3[C@H]2c2ccc(F)cc2)c1 ZINC000245226211 569055191 /nfs/dbraw/zinc/05/51/91/569055191.db2.gz KTVXTLHHFMATLT-FTBPSBKWSA-N 0 0 410.533 4.749 50 0 HJAARN Cc1nn(C)c(C)c1/C=C1/C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@H]1O ZINC000245240694 569055317 /nfs/dbraw/zinc/05/53/17/569055317.db2.gz RPEZSVJLASPKQK-CPKNLBMZSA-N 0 0 410.602 4.715 50 0 HJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc2ccccc2c1 ZINC000245326874 569055871 /nfs/dbraw/zinc/05/58/71/569055871.db2.gz MUTCSHDRYWFKDV-DSNGMDLFSA-N 0 0 420.468 4.891 50 0 HJAARN CC(C)c1ccccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000013074255 569056366 /nfs/dbraw/zinc/05/63/66/569056366.db2.gz ZZFZPKWYXQGXLU-UHFFFAOYSA-N 0 0 422.447 4.683 50 0 HJAARN Cc1cc2oc(=O)cc(CN3CCN(c4cccc(Cl)c4)CC3)c2cc1Cl ZINC000054106003 569057549 /nfs/dbraw/zinc/05/75/49/569057549.db2.gz QXJFRORCVSYWMB-UHFFFAOYSA-N 0 0 403.309 4.730 50 0 HJAARN O=C(Cn1c2ccccc2nc1C(F)(F)F)OCc1coc(-c2cccs2)n1 ZINC000006465425 569057844 /nfs/dbraw/zinc/05/78/44/569057844.db2.gz MFSOZVNWNBVUDD-UHFFFAOYSA-N 0 0 407.373 4.515 50 0 HJAARN C[C@H]1CCc2c(C(=O)OCC(=O)N3CCC(Cc4ccccc4)CC3)csc2C1 ZINC000006469143 569057968 /nfs/dbraw/zinc/05/79/68/569057968.db2.gz UBQSZBQMLXNDRI-KRWDZBQOSA-N 0 0 411.567 4.511 50 0 HJAARN COc1ccc(/C=C\C(=O)N(C)C23CC4CC(CC(C4)C2)C3)cc1Br ZINC000006490365 569059852 /nfs/dbraw/zinc/05/98/52/569059852.db2.gz PZXUCHSYEAQYDD-XQRVVYSFSA-N 0 0 404.348 4.898 50 0 HJAARN Cc1nc2ccc(Br)cc2c2c1C[C@H]([C@@](C)(Cl)Br)O2 ZINC000001211862 569060301 /nfs/dbraw/zinc/06/03/01/569060301.db2.gz CVHUBQBRMHLQCZ-TZMCWYRMSA-N 0 0 405.517 4.959 50 0 biogenic HJAARN Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(Oc4ccccc4)cc3)ccc12 ZINC000001181775 569060315 /nfs/dbraw/zinc/06/03/15/569060315.db2.gz ZAOSQRONCSGTPT-UHFFFAOYSA-N 0 0 401.418 4.911 50 0 biogenic HJAARN CC(=O)Nc1ccc(C(F)(F)F)cc1NCc1cc(Cl)cc2c1OCOC2 ZINC000064398548 569060982 /nfs/dbraw/zinc/06/09/82/569060982.db2.gz WZIZNVQGCQVJPG-UHFFFAOYSA-N 0 0 400.784 4.796 50 0 HJAARN CSc1nc2ccc(NC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)cc2s1 ZINC000006508663 569061892 /nfs/dbraw/zinc/06/18/92/569061892.db2.gz PDHWHXYOSXNGOR-SECBINFHSA-N 0 0 401.538 4.703 50 0 HJAARN Cc1ccc(Cc2nc3nc4c(c(NCc5ccccc5Cl)n3n2)CCC4)cc1 ZINC000064450013 569062716 /nfs/dbraw/zinc/06/27/16/569062716.db2.gz UQTRAXGJRATBOW-UHFFFAOYSA-N 0 0 403.917 4.778 50 0 HJAARN CC[C@@H](C)c1nc2sc3c(c2c(N2CCN(C(=O)C4CCC4)CC2)n1)CCCC3 ZINC000035849364 569062793 /nfs/dbraw/zinc/06/27/93/569062793.db2.gz OFYWVJMVDVQRSZ-OAHLLOKOSA-N 0 0 412.603 4.532 50 0 HJAARN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccccc3)C2)cc1F ZINC000064452446 569062896 /nfs/dbraw/zinc/06/28/96/569062896.db2.gz CVMRUTNSXYWYIG-QGZVFWFLSA-N 0 0 406.461 4.572 50 0 HJAARN C[C@@H]1CCc2c(sc3nc(C4CC4)nc(N4CCN(C(=O)C5CCCC5)CC4)c32)C1 ZINC000035865269 569063281 /nfs/dbraw/zinc/06/32/81/569063281.db2.gz FSPTVJGERSMNLR-OAHLLOKOSA-N 0 0 424.614 4.532 50 0 HJAARN COc1ccc(Nc2cc(C(=O)N3CCCCC3)nc3cc(OC)c(OC)cc32)cc1 ZINC000064474050 569063675 /nfs/dbraw/zinc/06/36/75/569063675.db2.gz DHZMKGDNAODPCV-UHFFFAOYSA-N 0 0 421.497 4.630 50 0 HJAARN C[C@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N1CCc2ccccc21 ZINC000006531333 569064062 /nfs/dbraw/zinc/06/40/62/569064062.db2.gz HAPCMFJGIQZORM-INIZCTEOSA-N 0 0 419.550 4.582 50 0 HJAARN CC[C@H]1Oc2ccc(NC(=O)C(C)C)cc2CN([C@H]2CCCc3ccccc32)C1=O ZINC000035874073 569064234 /nfs/dbraw/zinc/06/42/34/569064234.db2.gz ITUJOLLUPAHYIP-FCHUYYIVSA-N 0 0 406.526 4.858 50 0 HJAARN CC[C@H]1Oc2ccc(NC(=O)c3cccs3)cc2CN(Cc2ccc(F)cc2)C1=O ZINC000035883968 569064569 /nfs/dbraw/zinc/06/45/69/569064569.db2.gz SGJMUPFYJLJFJC-LJQANCHMSA-N 0 0 424.497 4.839 50 0 HJAARN Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N1CCc2ccccc2C1 ZINC000006549390 569064878 /nfs/dbraw/zinc/06/48/78/569064878.db2.gz NDPKLAFTIPNQCO-UHFFFAOYSA-N 0 0 400.309 4.745 50 0 HJAARN Cc1ccc2cc(CN(C)CC(=O)Nc3ccc(F)c(F)c3F)c(Cl)nc2c1 ZINC000006552608 569065313 /nfs/dbraw/zinc/06/53/13/569065313.db2.gz SGVUXWSYYDYKCU-UHFFFAOYSA-N 0 0 407.823 4.684 50 0 HJAARN O=C(CSc1ccc2c(c1)OCCO2)Nc1ccc(Cl)cc1C(F)(F)F ZINC000006560481 569065787 /nfs/dbraw/zinc/06/57/87/569065787.db2.gz REHBBYQMEGYNLG-UHFFFAOYSA-N 0 0 403.809 4.861 50 0 HJAARN Cc1cccc(N2C(=O)CS[C@@H]2c2cccc(NS(=O)(=O)c3ccccc3)c2)c1 ZINC000035910506 569065964 /nfs/dbraw/zinc/06/59/64/569065964.db2.gz WEIRAWUXIRUGGK-JOCHJYFZSA-N 0 0 424.547 4.574 50 0 HJAARN COc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)Cc3cccs3)cc2)cc1 ZINC000035910907 569065967 /nfs/dbraw/zinc/06/59/67/569065967.db2.gz VYKHAWZVTNHGQR-QFIPXVFZSA-N 0 0 424.547 4.717 50 0 HJAARN Cc1cc(-c2c(C)nc3c(OCc4ccccc4)cccn3c2=O)nn1-c1ccccc1 ZINC000035911280 569066020 /nfs/dbraw/zinc/06/60/20/569066020.db2.gz QVIQCTKGEDMFRC-UHFFFAOYSA-N 0 0 422.488 4.743 50 0 HJAARN O=C(Nc1nnc(SCc2ccc(Br)cc2F)s1)C1CCCC1 ZINC000035924503 569066150 /nfs/dbraw/zinc/06/61/50/569066150.db2.gz GQVPIAVNIXFWQY-UHFFFAOYSA-N 0 0 416.341 4.861 50 0 HJAARN Cc1cccc(-n2nc3nc(N4CCCC4)nc(-c4ccc(Cl)cc4)c3c2N)c1 ZINC000035925721 569066292 /nfs/dbraw/zinc/06/62/92/569066292.db2.gz ANAAZJSFBRKKCN-UHFFFAOYSA-N 0 0 404.905 4.627 50 0 HJAARN Cc1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2)cc1 ZINC000064558160 569066941 /nfs/dbraw/zinc/06/69/41/569066941.db2.gz XGJVQCLGIUTKNC-OAQYLSRUSA-N 0 0 419.502 4.635 50 0 HJAARN O=C(c1cccc(F)c1)N(Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000035944454 569067032 /nfs/dbraw/zinc/06/70/32/569067032.db2.gz OHXVEJCNZBGNSR-HXUWFJFHSA-N 0 0 424.422 4.940 50 0 HJAARN CC(=O)N1N=C(c2cc(C)nc3ccccc32)O[C@@H]1c1ccc(Br)cc1 ZINC000064567329 569067343 /nfs/dbraw/zinc/06/73/43/569067343.db2.gz DGUNLZXLKZZOLV-HXUWFJFHSA-N 0 0 410.271 4.545 50 0 HJAARN C[C@@H]1CCC[C@@H](NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)[C@@H]1C ZINC000006586025 569067689 /nfs/dbraw/zinc/06/76/89/569067689.db2.gz PDMKLCHUTQOBRW-GPMSIDNRSA-N 0 0 414.619 4.813 50 0 HJAARN C[C@@H]1CCC[C@H](NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)[C@@H]1C ZINC000006586020 569067696 /nfs/dbraw/zinc/06/76/96/569067696.db2.gz PDMKLCHUTQOBRW-MDZRGWNJSA-N 0 0 414.619 4.813 50 0 HJAARN COc1ccc(-c2cc(Oc3cccc(C(=O)NCc4ccccc4)c3)ncn2)cc1 ZINC000064578592 569068262 /nfs/dbraw/zinc/06/82/62/569068262.db2.gz XZNMKSRBMITERI-UHFFFAOYSA-N 0 0 411.461 4.875 50 0 biogenic HJAARN COc1cccc(C(=O)Nc2c(-c3ccc(OC)c(OC)c3)nc3ccc(C)cn32)c1 ZINC000035959245 569068305 /nfs/dbraw/zinc/06/83/05/569068305.db2.gz UKRJEVGTVDKNLN-UHFFFAOYSA-N 0 0 417.465 4.588 50 0 HJAARN COc1ccccc1NC(=O)COc1ccccc1-c1nc(-c2cccc(C)c2)no1 ZINC000064579580 569068417 /nfs/dbraw/zinc/06/84/17/569068417.db2.gz MJTFFBKIKWDIRY-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN O=C(COC(=O)c1cccc(-n2cccc2)c1)Nc1ccccc1Cc1ccccc1 ZINC000006590653 569068470 /nfs/dbraw/zinc/06/84/70/569068470.db2.gz RZZGIKDSBWFQLK-UHFFFAOYSA-N 0 0 410.473 4.864 50 0 HJAARN CC(C)CN(Cc1c(-c2ccccc2)nn(C)c1N(C)C)C(=O)c1cccc(F)c1 ZINC000035970063 569069389 /nfs/dbraw/zinc/06/93/89/569069389.db2.gz JVIPYNHEWMORQP-UHFFFAOYSA-N 0 0 408.521 4.591 50 0 HJAARN C=Cc1ccc(CSc2nnc3c(=O)n(-c4cc(Cl)ccc4C)ccn23)cc1 ZINC000064593800 569069599 /nfs/dbraw/zinc/06/95/99/569069599.db2.gz ARGRXNMVNPTQFT-UHFFFAOYSA-N 0 0 408.914 4.777 50 0 HJAARN C[C@@H]1C[C@H](C)C[N@H+]([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2)C1 ZINC000016689773 569070497 /nfs/dbraw/zinc/07/04/97/569070497.db2.gz UXNTVZZJUCUIIL-DAYGRLMNSA-N 0 0 408.527 4.824 50 0 HJAARN CCc1nc2sc([C@H](c3cccc(C(F)(F)F)c3)[N@@H+]3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000016690050 569070565 /nfs/dbraw/zinc/07/05/65/569070565.db2.gz MZUKNHVZUQMFLD-WBMJQRKESA-N 0 0 424.492 4.899 50 0 HJAARN CCc1nc2sc([C@H](c3ccccc3Cl)[NH+]3C[C@H](C)C[C@@H](C)C3)c([O-])n2n1 ZINC000016690097 569070594 /nfs/dbraw/zinc/07/05/94/569070594.db2.gz KMKCQFCXEQKKPF-XNJGSVPQSA-N 0 0 404.967 4.780 50 0 HJAARN CCOc1ccc([C@H](c2sc3nc(CC)nn3c2[O-])[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000016690127 569070599 /nfs/dbraw/zinc/07/05/99/569070599.db2.gz CAGJIBIIVMKPNX-SPYBWZPUSA-N 0 0 414.575 4.525 50 0 HJAARN CCOc1ccc([C@@H](c2sc3nc(CC)nn3c2[O-])[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000016690126 569070626 /nfs/dbraw/zinc/07/06/26/569070626.db2.gz CAGJIBIIVMKPNX-KHYOSLBOSA-N 0 0 414.575 4.525 50 0 HJAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C(=O)NCC ZINC000035980345 569071834 /nfs/dbraw/zinc/07/18/34/569071834.db2.gz XVHUZNDVOIFQTN-UHFFFAOYSA-N 0 0 422.529 4.830 50 0 HJAARN CCOc1ccccc1NC(=O)Cn1c(COc2ccc(C)cc2)nc2ccccc21 ZINC000006608463 569071898 /nfs/dbraw/zinc/07/18/98/569071898.db2.gz AVOOHQYIRGXNKS-UHFFFAOYSA-N 0 0 415.493 4.961 50 0 HJAARN C[C@@H]1CCCCN1c1nc(-c2ccccc2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000035987201 569074152 /nfs/dbraw/zinc/07/41/52/569074152.db2.gz CFZZZUMGVULLDR-QGZVFWFLSA-N 0 0 404.489 4.592 50 0 HJAARN CC(C)CCn1c(SCC(=O)c2ccc[nH]2)nc2sc3c(c2c1=O)CCCC3 ZINC000006616026 569074705 /nfs/dbraw/zinc/07/47/05/569074705.db2.gz WHUQOMCORORYEC-UHFFFAOYSA-N 0 0 415.584 4.686 50 0 HJAARN CCc1cccc2c([C@@H](CC(=O)NCc3ccncc3)c3ccc(OC)cc3)c[nH]c21 ZINC000036000328 569074954 /nfs/dbraw/zinc/07/49/54/569074954.db2.gz IEDSFENTFBDWAR-QHCPKHFHSA-N 0 0 413.521 4.972 50 0 HJAARN COc1cccc(NC(=O)Cc2c(C)c3cc4c(C)c(C)oc4c(C)c3oc2=O)c1 ZINC000006624506 569075602 /nfs/dbraw/zinc/07/56/02/569075602.db2.gz WUFTXFWSJLYZKG-UHFFFAOYSA-N 0 0 405.450 4.963 50 0 biogenic HJAARN CN(Cc1ccc(Cl)cc1)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000006626165 569075954 /nfs/dbraw/zinc/07/59/54/569075954.db2.gz PSRWAJDGZUESIH-UHFFFAOYSA-N 0 0 402.885 4.860 50 0 HJAARN O=C(CSC1=Nc2ccccc2N=C(c2ccccn2)C1)NCc1ccc(F)cc1 ZINC000064656230 569076669 /nfs/dbraw/zinc/07/66/69/569076669.db2.gz BMYTXRCEYBGWEF-UHFFFAOYSA-N 0 0 418.497 4.825 50 0 HJAARN Cc1ccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2cccc(F)c2)cc1 ZINC000064656775 569076927 /nfs/dbraw/zinc/07/69/27/569076927.db2.gz FDEASRUAEZGVBR-INIZCTEOSA-N 0 0 401.484 4.503 50 0 HJAARN COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)CCc2ccccc2)c(OC)c1 ZINC000006642141 569078253 /nfs/dbraw/zinc/07/82/53/569078253.db2.gz LXBRFSSHLGAUPU-RZFJZAQRSA-N 0 0 423.553 4.531 50 0 biogenic HJAARN CC(C)N1c2ccc(-c3noc(-c4ccnn4C)n3)cc2Sc2ccccc2C1=O ZINC000064666819 569078527 /nfs/dbraw/zinc/07/85/27/569078527.db2.gz XBHLHZOUROWTIO-UHFFFAOYSA-N 0 0 417.494 4.657 50 0 HJAARN CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000064670209 569079127 /nfs/dbraw/zinc/07/91/27/569079127.db2.gz NVSYJNISCZHODN-UHFFFAOYSA-N 0 0 408.932 4.971 50 0 HJAARN O=C(C[C@@H]1COc2ccccc2N1Cc1ccccc1)NCCCc1ccccc1 ZINC000064663366 569079574 /nfs/dbraw/zinc/07/95/74/569079574.db2.gz VLAYDAPRDXCESF-HSZRJFAPSA-N 0 0 400.522 4.593 50 0 HJAARN Cc1ccc(CNC(=O)C[C@H]2COc3ccccc3N2Cc2ccc(C)cc2)cc1 ZINC000064663926 569079726 /nfs/dbraw/zinc/07/97/26/569079726.db2.gz XBOWOOIUEAYOOI-QHCPKHFHSA-N 0 0 400.522 4.778 50 0 HJAARN Cc1ccc2c(c1)OC[C@@H](CC(=O)NCc1ccccc1)N2Cc1ccc(F)cc1 ZINC000064663550 569079759 /nfs/dbraw/zinc/07/97/59/569079759.db2.gz QCTVRPAHPSDKJI-JOCHJYFZSA-N 0 0 404.485 4.608 50 0 HJAARN CCOC(=O)c1nc2cc(C)c(C)cc2nc1Nc1ccc(Br)cc1 ZINC000064690425 569082293 /nfs/dbraw/zinc/08/22/93/569082293.db2.gz HAHRYQWEPSLPLP-UHFFFAOYSA-N 0 0 400.276 4.929 50 0 HJAARN Cc1ccccc1[C@@H]1CN(C(=O)c2cccc(Cl)c2)C[C@@H]1C(=O)NCCC(C)C ZINC000036055057 569083084 /nfs/dbraw/zinc/08/30/84/569083084.db2.gz MDZMRPCUCOVLHK-VXKWHMMOSA-N 0 0 412.961 4.667 50 0 HJAARN O=C(CCn1c(=O)sc2ccccc21)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000006672424 569087204 /nfs/dbraw/zinc/08/72/04/569087204.db2.gz TXXTUDZQMOENNH-UHFFFAOYSA-N 0 0 415.946 4.736 50 0 HJAARN C[C@H]1CCCCN1C(=O)c1ccc(N2CCCN(Cc3ccccc3F)C2=O)cc1 ZINC000064743384 569087942 /nfs/dbraw/zinc/08/79/42/569087942.db2.gz MUCLYZLWRQOMPM-SFHVURJKSA-N 0 0 409.505 4.673 50 0 HJAARN COc1ccccc1-c1noc([C@@H]2CCCN2C(=O)Nc2cccc(SC)c2)n1 ZINC000064747652 569088908 /nfs/dbraw/zinc/08/89/08/569088908.db2.gz ADQAMEFEXFWDFA-KRWDZBQOSA-N 0 0 410.499 4.836 50 0 HJAARN CCN(c1ccccc1)S(=O)(=O)c1cccc(-c2nc(-c3ccc(C)cc3)no2)c1 ZINC000064747784 569089070 /nfs/dbraw/zinc/08/90/70/569089070.db2.gz LYROCZHYRBIVMV-UHFFFAOYSA-N 0 0 419.506 4.927 50 0 HJAARN COc1ccc(S(=O)(=O)Nc2ccc3nc(SC(C)C)sc3c2)cc1OC ZINC000064747836 569089117 /nfs/dbraw/zinc/08/91/17/569089117.db2.gz UBHHSAOMKGGJSC-UHFFFAOYSA-N 0 0 424.569 4.615 50 0 HJAARN O=C(c1ccc(F)cc1)N(Cc1ccco1)Cc1nccn1Cc1cccc(F)c1 ZINC000006689607 569089350 /nfs/dbraw/zinc/08/93/50/569089350.db2.gz DMDSCJOWEBQEPI-UHFFFAOYSA-N 0 0 407.420 4.645 50 0 HJAARN O=C(c1ccccc1F)N(Cc1nccn1Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000006688952 569089525 /nfs/dbraw/zinc/08/95/25/569089525.db2.gz RAXJDVZUWVWQHY-UHFFFAOYSA-N 0 0 417.406 4.894 50 0 HJAARN COc1c2cc(Cl)ccc2sc1C(=O)N1CCN(c2ccccc2OC)CC1 ZINC000064756542 569089833 /nfs/dbraw/zinc/08/98/33/569089833.db2.gz XMIMECYKTURVQT-UHFFFAOYSA-N 0 0 416.930 4.534 50 0 HJAARN COc1ccc(CN(Cc2ccccc2F)C[C@@H](O)COc2ccccc2C)cc1 ZINC000036095352 569089880 /nfs/dbraw/zinc/08/98/80/569089880.db2.gz PURJQIGSNKRCCC-JOCHJYFZSA-N 0 0 409.501 4.585 50 0 HJAARN O=C(C1CCC1)N(Cc1ccc(F)cc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000006695262 569091645 /nfs/dbraw/zinc/09/16/45/569091645.db2.gz LGPYUZCSNVUZSW-LJQANCHMSA-N 0 0 418.871 4.940 50 0 HJAARN 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CC(C)(C)c1ccc2oc(CN3CCN(C(=O)Nc4ccccc4F)CC3)nc2c1 ZINC000064957183 569134701 /nfs/dbraw/zinc/13/47/01/569134701.db2.gz SKXAKFUKVWHSAW-UHFFFAOYSA-N 0 0 410.493 4.614 50 0 HJAARN C[C@H](CCc1ccco1)NC(=O)c1nn(C)c2c1CSc1ccc(Cl)cc1-2 ZINC000064959633 569135423 /nfs/dbraw/zinc/13/54/23/569135423.db2.gz PRUSJMFGKMQVIX-GFCCVEGCSA-N 0 0 401.919 4.690 50 0 HJAARN CCOC(=O)c1nc2onc(-c3ccc(C)cc3)c2c(NC[C@@H](C)c2ccccc2)n1 ZINC000064960200 569135515 /nfs/dbraw/zinc/13/55/15/569135515.db2.gz WPGARILGOCVXMF-MRXNPFEDSA-N 0 0 416.481 4.986 50 0 HJAARN O=C(c1ccccc1Br)N1C2=C(CCCC2)C(=O)NC12CCCCC2 ZINC000006810808 569135788 /nfs/dbraw/zinc/13/57/88/569135788.db2.gz KIHSOKYWFQXNHP-UHFFFAOYSA-N 0 0 403.320 4.510 50 0 HJAARN CCOc1ccc(CNC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)cc1 ZINC000064968183 569138069 /nfs/dbraw/zinc/13/80/69/569138069.db2.gz DWBQRVHJBFYZPX-UHFFFAOYSA-N 0 0 400.478 4.942 50 0 HJAARN CCOc1ccc(NC(=O)NCc2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1 ZINC000064969112 569138196 /nfs/dbraw/zinc/13/81/96/569138196.db2.gz QUIJHQDDNIIJLX-UHFFFAOYSA-N 0 0 415.493 4.610 50 0 HJAARN Cc1cccc(NC(=O)CSc2nc3c4ccccc4oc3c(=O)n2C(C)C)c1 ZINC000006819942 569139356 /nfs/dbraw/zinc/13/93/56/569139356.db2.gz BGARUFGSFBOACW-UHFFFAOYSA-N 0 0 407.495 4.763 50 0 HJAARN Fc1ccc(-n2c(SCc3nnsc3Cl)nnc2-c2ccccc2)cc1 ZINC000006820883 569140354 /nfs/dbraw/zinc/14/03/54/569140354.db2.gz IHTKJHVSQNZIQU-UHFFFAOYSA-N 0 0 403.895 4.871 50 0 HJAARN COc1ccc(Cc2noc(-c3c(C)onc3-c3ccccc3Cl)n2)cc1OC ZINC000006825004 569140967 /nfs/dbraw/zinc/14/09/67/569140967.db2.gz VPEFWMCJMIOWSZ-UHFFFAOYSA-N 0 0 411.845 4.961 50 0 HJAARN CCC(=O)c1c(C)n(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCCO3)c2ccccc21 ZINC000064987203 569144944 /nfs/dbraw/zinc/14/49/44/569144944.db2.gz WYAVMTFJYKVJKF-INIZCTEOSA-N 0 0 420.509 4.581 50 0 HJAARN C[C@H](NC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc2c(c1)OCCCO2 ZINC000064986937 569145201 /nfs/dbraw/zinc/14/52/01/569145201.db2.gz XWGAWNYRSJHOBB-SFHVURJKSA-N 0 0 403.478 4.918 50 0 HJAARN Cc1cccc(CN2CCN(C3CCN(C(=O)Nc4cccc(C)c4C)CC3)C2=O)c1 ZINC000064989010 569145807 /nfs/dbraw/zinc/14/58/07/569145807.db2.gz CJKWVGFVTUYZPK-UHFFFAOYSA-N 0 0 420.557 4.546 50 0 HJAARN COc1ccc(NC(=O)c2ccc(-c3cc(N4CCCC4)ncn3)cc2)cc1Cl ZINC000064989322 569145899 /nfs/dbraw/zinc/14/58/99/569145899.db2.gz OUJFGLYQUDBFCB-UHFFFAOYSA-N 0 0 408.889 4.658 50 0 HJAARN Cc1cccc(C(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(Cl)cc2)CC3)c1 ZINC000064989660 569146074 /nfs/dbraw/zinc/14/60/74/569146074.db2.gz XWNMXXJHHPNCSA-UHFFFAOYSA-N 0 0 404.897 4.781 50 0 HJAARN Cc1ccccc1C(=O)N1CCc2ccc(CNC(=O)c3ccc(Cl)cc3)cc21 ZINC000064990006 569146228 /nfs/dbraw/zinc/14/62/28/569146228.db2.gz PQKUZWZMDYMZEM-UHFFFAOYSA-N 0 0 404.897 4.781 50 0 HJAARN Cc1ccc(CNC(=O)NCc2ccc3c(c2)N(C(=O)c2ccc(C)cc2)CC3)cc1 ZINC000064990354 569146462 /nfs/dbraw/zinc/14/64/62/569146462.db2.gz FZDVILOEZMGZAO-UHFFFAOYSA-N 0 0 413.521 4.506 50 0 HJAARN Cc1ccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccc(F)cc4F)cc32)cc1 ZINC000064990365 569146482 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HJAARN O=C(Nc1ccc([C@@H]2SCC(=O)N2c2ccc(F)cc2F)cc1)c1ccco1 ZINC000006834432 569148689 /nfs/dbraw/zinc/14/86/89/569148689.db2.gz USHCHSRYGWFGPL-FQEVSTJZSA-N 0 0 400.406 4.589 50 0 HJAARN CC[C@H](C(=O)Nc1nnc(SCC(=O)c2ccc(F)cc2)s1)c1ccccc1 ZINC000006835729 569149048 /nfs/dbraw/zinc/14/90/48/569149048.db2.gz MPNRZGTWRJFFBM-INIZCTEOSA-N 0 0 415.515 4.785 50 0 HJAARN O=C(NCc1ccco1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 ZINC000036357754 569149210 /nfs/dbraw/zinc/14/92/10/569149210.db2.gz JTHQYCFUQUOGLM-QFIPXVFZSA-N 0 0 400.478 4.653 50 0 HJAARN Cc1nc(-c2nnn(-c3ccccc3)c2C)sc1C(=O)NCc1ccccc1Cl ZINC000064998443 569149930 /nfs/dbraw/zinc/14/99/30/569149930.db2.gz RADPILJNDHQHOE-UHFFFAOYSA-N 0 0 423.929 4.591 50 0 HJAARN COc1cccc(-n2cnc3c2NC(=O)C[C@@H]3c2ccc(OC)c(OC(C)C)c2)c1 ZINC000036358766 569150332 /nfs/dbraw/zinc/15/03/32/569150332.db2.gz LYDRGBBDHRGUPG-GOSISDBHSA-N 0 0 407.470 4.800 50 0 HJAARN CN(C(=O)c1c2c(cn(-c3ccc(F)cc3)c1=O)C(=O)CC(C)(C)C2)C1CCCCC1 ZINC000065000059 569150958 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MFHMCHQEGOVRNS-UHFFFAOYSA-N 0 0 418.526 4.518 50 0 HJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000036874528 569230825 /nfs/dbraw/zinc/23/08/25/569230825.db2.gz XDOLBXDFMRBPKX-LJQANCHMSA-N 0 0 403.309 4.916 50 0 HJAARN Cc1nc2sc3c(c2c(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1)CCC3 ZINC000065477872 569231668 /nfs/dbraw/zinc/23/16/68/569231668.db2.gz LFNYDQOIOXJNID-HNNXBMFYSA-N 0 0 416.591 4.572 50 0 HJAARN Cc1cc(C)c(-c2csc(NC(=O)CSc3nnc(C4CC4)o3)n2)cc1C ZINC000007289464 569232139 /nfs/dbraw/zinc/23/21/39/569232139.db2.gz YQWOJWRMYXGZTF-UHFFFAOYSA-N 0 0 400.529 4.727 50 0 HJAARN CCc1ccc(Cl)c(CC)c1NC(=O)N1CCCN(C(=O)OCC(C)C)CC1 ZINC000065540582 569234545 /nfs/dbraw/zinc/23/45/45/569234545.db2.gz GTOUNEIXCRVZPS-UHFFFAOYSA-N 0 0 409.958 4.797 50 0 HJAARN O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)N1CC=C(c2ccccc2)CC1 ZINC000007359876 569234998 /nfs/dbraw/zinc/23/49/98/569234998.db2.gz PFBHJRKGIJALSK-OAQYLSRUSA-N 0 0 403.551 4.749 50 0 HJAARN O=C(c1ccn(-c2ccccc2)n1)N1CCCC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000065562468 569235714 /nfs/dbraw/zinc/23/57/14/569235714.db2.gz IUHPYRWAQLXLKQ-QFIPXVFZSA-N 0 0 415.472 4.769 50 0 HJAARN CCOc1ccc(C(C)=O)cc1Cn1cnc2sc(-c3ccccc3)cc2c1=O ZINC000007386238 569235969 /nfs/dbraw/zinc/23/59/69/569235969.db2.gz ZVPWVUAUEWSZKA-UHFFFAOYSA-N 0 0 404.491 4.775 50 0 HJAARN Cn1ccnc1SCC(=O)Nc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 ZINC000007402705 569236846 /nfs/dbraw/zinc/23/68/46/569236846.db2.gz WLNZRLYOGDMZIR-UHFFFAOYSA-N 0 0 422.554 4.701 50 0 HJAARN CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2C[C@H](C)OC(C)(C)C2)cc1 ZINC000065612240 569238516 /nfs/dbraw/zinc/23/85/16/569238516.db2.gz ZTNAVOHAHHBOGF-HNNXBMFYSA-N 0 0 400.544 4.763 50 0 HJAARN Cc1cc(C(=O)COc2ccc(-c3nnco3)cc2)c(C)n1CCc1ccccc1 ZINC000007433517 569239014 /nfs/dbraw/zinc/23/90/14/569239014.db2.gz SZQQYABKJGVBGM-UHFFFAOYSA-N 0 0 401.466 4.659 50 0 HJAARN COc1cc(C)ccc1OCC(=O)N1CCCCC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000170593329 569241184 /nfs/dbraw/zinc/24/11/84/569241184.db2.gz SHDNBCKHEUJTDL-LJQANCHMSA-N 0 0 421.497 4.576 50 0 HJAARN CSc1ccc(CN(C)CC(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC000007496125 569242445 /nfs/dbraw/zinc/24/24/45/569242445.db2.gz CYRBMSJKIUDCHP-JOCHJYFZSA-N 0 0 414.571 4.947 50 0 HJAARN CCc1csc([C@H]2CCCN(c3ccc(-c4nnc(Br)o4)cc3)C2)n1 ZINC000170606589 569244789 /nfs/dbraw/zinc/24/47/89/569244789.db2.gz IPNKBKYYMWRMPK-ZDUSSCGKSA-N 0 0 419.348 4.902 50 0 HJAARN CC(C)[C@](C)(NC(=O)CCCc1nc(C2CC2)no1)c1ccc(Br)cc1 ZINC000170611483 569245674 /nfs/dbraw/zinc/24/56/74/569245674.db2.gz GLQKIBZNJRGTKA-FQEVSTJZSA-N 0 0 420.351 4.720 50 0 HJAARN CC(C)[C@](C)(NC(=O)CCc1nc(C(C)(C)C)no1)c1ccc(Br)cc1 ZINC000170611485 569245676 /nfs/dbraw/zinc/24/56/76/569245676.db2.gz ZCLMJQGEXLNAFY-FQEVSTJZSA-N 0 0 422.367 4.750 50 0 HJAARN Cc1cccc(C(=O)N2CCN(c3ccc(Oc4ccccc4)cc3)C(=O)[C@@H]2C)c1 ZINC000037275727 569245840 /nfs/dbraw/zinc/24/58/40/569245840.db2.gz JXPZYDQLWBKPMZ-IBGZPJMESA-N 0 0 400.478 4.665 50 0 HJAARN COc1ccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NC(C)C)cc2)cc1 ZINC000037279189 569246129 /nfs/dbraw/zinc/24/61/29/569246129.db2.gz RJEVGPGRNQVXOL-UHFFFAOYSA-N 0 0 416.521 4.609 50 0 HJAARN COc1ccc([C@H]2CCCCCN2C(=O)c2cnc3c(C)cc(F)cc3c2O)cc1 ZINC000170614551 569247178 /nfs/dbraw/zinc/24/71/78/569247178.db2.gz ZSBWGAJORCWIHD-OAQYLSRUSA-N 0 0 408.473 4.742 50 0 HJAARN Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)[C@@H]1CCCc2nc(C)sc21 ZINC000170624877 569249618 /nfs/dbraw/zinc/24/96/18/569249618.db2.gz VATMCGDPKMFBCU-CQSZACIVSA-N 0 0 415.540 4.816 50 0 HJAARN O=C(CC1CCCCC1)NC1CCC(C(=O)N2CCC[C@]3(CC=CCC3)C2)CC1 ZINC000170626851 569250534 /nfs/dbraw/zinc/25/05/34/569250534.db2.gz RCPLPNHQGVWCTE-XUNZJTMSSA-N 0 0 400.607 4.981 50 0 HJAARN Cc1noc(C)c1CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000009884297 569251608 /nfs/dbraw/zinc/25/16/08/569251608.db2.gz BHQOPNBDNGYOBZ-UHFFFAOYSA-N 0 0 417.387 4.744 50 0 HJAARN O=C(CCn1ccc2ccc(OCc3ccccc3)cc21)Nc1nnc(C2CC2)s1 ZINC000071287510 569252431 /nfs/dbraw/zinc/25/24/31/569252431.db2.gz GXDCBTWMBSOJQH-UHFFFAOYSA-N 0 0 418.522 4.978 50 0 HJAARN O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000009996108 569252714 /nfs/dbraw/zinc/25/27/14/569252714.db2.gz GFGYSZAHIOYNMX-ICSRJNTNSA-N 0 0 408.523 4.831 50 0 HJAARN COc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)c(OC)c1 ZINC000010220407 569253346 /nfs/dbraw/zinc/25/33/46/569253346.db2.gz GDIDIUMOXRIRKN-UHFFFAOYSA-N 0 0 422.872 4.652 50 0 HJAARN O=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccccc1C(F)(F)F ZINC000071813813 569254414 /nfs/dbraw/zinc/25/44/14/569254414.db2.gz IDGFUVNEOTZTCW-UHFFFAOYSA-N 0 0 405.416 4.718 50 0 HJAARN CCCOc1ccc(C(=O)Nc2ccc(-c3csc(N4CCOCC4)n3)cc2)cc1 ZINC000010499790 569254668 /nfs/dbraw/zinc/25/46/68/569254668.db2.gz WEUREQARDJIZEB-UHFFFAOYSA-N 0 0 423.538 4.688 50 0 HJAARN C[C@H](NC(=O)Cc1csc(SCC(=O)c2cccs2)n1)c1ccccc1 ZINC000013654039 569256753 /nfs/dbraw/zinc/25/67/53/569256753.db2.gz PKFRZGDYJLSIRV-ZDUSSCGKSA-N 0 0 402.566 4.600 50 0 HJAARN O=C(Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1)NCc1cccs1 ZINC000013716582 569257512 /nfs/dbraw/zinc/25/75/12/569257512.db2.gz QNEZVGQKBBJECY-UHFFFAOYSA-N 0 0 408.567 4.762 50 0 HJAARN O=C(Nc1ccc(N2CCCCC2)c2ccncc12)c1cccc(N2CCCC2=O)c1 ZINC000014397268 569259900 /nfs/dbraw/zinc/25/99/00/569259900.db2.gz IXTZIGAYFVZDGR-UHFFFAOYSA-N 0 0 414.509 4.604 50 0 HJAARN CCCN(CCC)S(=O)(=O)c1cccc(C(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000014426373 569259995 /nfs/dbraw/zinc/25/99/95/569259995.db2.gz KFSOVVPPSHGLGP-UHFFFAOYSA-N 0 0 402.560 4.675 50 0 HJAARN COc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3Cl)n2)cc1 ZINC000014609579 569260595 /nfs/dbraw/zinc/26/05/95/569260595.db2.gz BDABSQUPTAOWIV-UHFFFAOYSA-N 0 0 404.857 4.849 50 0 HJAARN COc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccccc2)cc1 ZINC000014609674 569260721 /nfs/dbraw/zinc/26/07/21/569260721.db2.gz YLNAFALBJZBGIK-UHFFFAOYSA-N 0 0 404.857 4.849 50 0 HJAARN Cc1csc(-c2cccc(C(=O)N3CCC[C@@H]3c3nnc(-c4ccccc4)[nH]3)c2)n1 ZINC000089708853 569262862 /nfs/dbraw/zinc/26/28/62/569262862.db2.gz VUZDHVVZJRUDIM-LJQANCHMSA-N 0 0 415.522 4.881 50 0 HJAARN Cn1ccnc1SCc1cccc(C(=O)N[C@@H]2CCC[C@@H]2OCc2ccccc2)c1 ZINC000089761484 569263565 /nfs/dbraw/zinc/26/35/65/569263565.db2.gz PDKXAWYBSXPKNE-YADHBBJMSA-N 0 0 421.566 4.580 50 0 HJAARN O=C(c1ccco1)N1N=C(c2cccc(Cl)c2)C[C@H]1c1ccc2nccnc2c1 ZINC000089774589 569263760 /nfs/dbraw/zinc/26/37/60/569263760.db2.gz IRXFRIZERKYGCQ-FQEVSTJZSA-N 0 0 402.841 4.868 50 0 HJAARN Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCCCC4)nn3)cc2)cc1 ZINC000016838828 569264220 /nfs/dbraw/zinc/26/42/20/569264220.db2.gz HWGIYHWKRFOKLE-UHFFFAOYSA-N 0 0 422.554 4.633 50 0 HJAARN Cc1nc2c3ccccc3sc2c(=O)n1CC(=O)Nc1ccccc1C(F)(F)F ZINC000016841921 569264660 /nfs/dbraw/zinc/26/46/60/569264660.db2.gz OSXXZYNWKHVTOC-UHFFFAOYSA-N 0 0 417.412 4.577 50 0 HJAARN Cc1ccc(NC(=O)Cn2c(C)nc3c(sc4cccc(F)c43)c2=O)cc1Cl ZINC000016843795 569264954 /nfs/dbraw/zinc/26/49/54/569264954.db2.gz VBWFWLOGPLTYAF-UHFFFAOYSA-N 0 0 415.877 4.659 50 0 HJAARN O=C(Nc1ccc(N2CCCC2)cn1)c1[nH]c2ccc(Br)cc2c1Cl ZINC000089800324 569266132 /nfs/dbraw/zinc/26/61/32/569266132.db2.gz BKSSCQKEFFVQFZ-UHFFFAOYSA-N 0 0 419.710 4.831 50 0 HJAARN O=C(CCc1nc(-c2ccco2)no1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000089830392 569266954 /nfs/dbraw/zinc/26/69/54/569266954.db2.gz LPGUISGWMBYIIH-NRFANRHFSA-N 0 0 413.477 4.631 50 0 HJAARN CC(C)Cn1ncc(NC(=O)[C@H](OCC(F)(F)F)c2ccccc2)c1C(F)F ZINC000089856651 569267458 /nfs/dbraw/zinc/26/74/58/569267458.db2.gz FDLCLKPDTAHKCM-OAHLLOKOSA-N 0 0 405.367 4.735 50 0 HJAARN O=C(CSc1nnc(Nc2cccc(F)c2)s1)N[C@@H]1CCCc2ccccc21 ZINC000007577066 569267686 /nfs/dbraw/zinc/26/76/86/569267686.db2.gz MOSKVZWAOMYSDW-QGZVFWFLSA-N 0 0 414.531 4.707 50 0 HJAARN COc1ccc2cc([C@@H]3CC(c4ccccc4OC)=NN3C(C)=O)c(Cl)nc2c1 ZINC000089930432 569269013 /nfs/dbraw/zinc/26/90/13/569269013.db2.gz PCVAWOKBWLRKGE-FQEVSTJZSA-N 0 0 409.873 4.603 50 0 HJAARN CCC(=O)N1N=C(c2ccccc2OC)C[C@H]1c1cc2cc(OC)ccc2nc1Cl ZINC000089941555 569269251 /nfs/dbraw/zinc/26/92/51/569269251.db2.gz KXRWTHQOWQKOEK-FQEVSTJZSA-N 0 0 423.900 4.993 50 0 HJAARN CC[C@@](C)(NC(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1)c1nccs1 ZINC000089942125 569269424 /nfs/dbraw/zinc/26/94/24/569269424.db2.gz UAHLDFGEMSETEZ-LJQANCHMSA-N 0 0 402.907 4.803 50 0 HJAARN COc1ccccc1NC(=O)c1sc(=S)n(-c2cc(Cl)ccc2OC)c1N ZINC000016973829 569269737 /nfs/dbraw/zinc/26/97/37/569269737.db2.gz GKJGNOMSPKXNRL-UHFFFAOYSA-N 0 0 421.931 4.773 50 0 HJAARN CSc1cccc(NC(=O)CCc2csc(NC(=O)NC3CCCCC3)n2)c1 ZINC000016978869 569270283 /nfs/dbraw/zinc/27/02/83/569270283.db2.gz CUCFWZOGVAQYFZ-UHFFFAOYSA-N 0 0 418.588 4.891 50 0 HJAARN Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)c1ccc(Br)cc1 ZINC000016992097 569270744 /nfs/dbraw/zinc/27/07/44/569270744.db2.gz OGXGJDDVPWHKGP-UHFFFAOYSA-N 0 0 419.319 4.993 50 0 HJAARN O=C(Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)NCc1ccc(Cl)cc1 ZINC000017155855 569275812 /nfs/dbraw/zinc/27/58/12/569275812.db2.gz NFGRJTBBABGFAZ-UHFFFAOYSA-N 0 0 420.321 4.561 50 0 HJAARN O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)NCC1CCCCC1 ZINC000017156285 569275848 /nfs/dbraw/zinc/27/58/48/569275848.db2.gz HZDZFNZDXBARKX-UHFFFAOYSA-N 0 0 406.939 4.680 50 0 HJAARN Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)C(=O)Nc2nc(-c3ccccc3F)cs2)C1 ZINC000170634785 569276167 /nfs/dbraw/zinc/27/61/67/569276167.db2.gz UPLITLROELVYKX-CVEARBPZSA-N 0 0 423.513 4.601 50 0 HJAARN Cc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3nc(-c4ccccc4)cs3)ccc12 ZINC000000935663 569276902 /nfs/dbraw/zinc/27/69/02/569276902.db2.gz USBFTXXQDRRRRX-CQSZACIVSA-N 0 0 406.463 4.631 50 0 HJAARN Nc1c2c(nn1Cc1ccccc1)nc(NCC1CC1)nc2-c1cccc(Cl)c1 ZINC000037359103 569277526 /nfs/dbraw/zinc/27/75/26/569277526.db2.gz QEUWGFVBSRYOQF-UHFFFAOYSA-N 0 0 404.905 4.599 50 0 HJAARN Cc1cc(C)cc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)c1 ZINC000002075804 569277704 /nfs/dbraw/zinc/27/77/04/569277704.db2.gz IBTOSJSWABFMLO-WIYYLYMNSA-N 0 0 412.530 4.741 50 0 HJAARN Cc1cc(C)cc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c1 ZINC000002075807 569277742 /nfs/dbraw/zinc/27/77/42/569277742.db2.gz IBTOSJSWABFMLO-RXVVDRJESA-N 0 0 412.530 4.741 50 0 HJAARN Cc1cccc(-n2nc3nc(NCC4CC4)nc(-c4cccc(Cl)c4)c3c2N)c1 ZINC000037359513 569277910 /nfs/dbraw/zinc/27/79/10/569277910.db2.gz DZCFDISTGDPFJD-UHFFFAOYSA-N 0 0 404.905 4.848 50 0 HJAARN CCc1cc(=O)oc2cc(C)cc(OC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC)c12 ZINC000002092424 569280434 /nfs/dbraw/zinc/28/04/34/569280434.db2.gz WNKHATFLYYUMCW-VLIAUNLRSA-N 0 0 417.502 4.509 50 0 biogenic HJAARN CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(C)cc2oc(=O)c(C)c(C)c12 ZINC000002093528 569280705 /nfs/dbraw/zinc/28/07/05/569280705.db2.gz WNCWQNVNJDIVTQ-YJYMSZOUSA-N 0 0 417.502 4.563 50 0 biogenic HJAARN CCOC(=O)CCc1c(C)c2ccc(OCc3cccc(Cl)c3)cc2oc1=O ZINC000002094744 569280848 /nfs/dbraw/zinc/28/08/48/569280848.db2.gz XHFAPRUFYWDGJV-UHFFFAOYSA-N 0 0 400.858 4.830 50 0 biogenic HJAARN CCc1cc(=O)oc2c(C)c(OCC(=O)c3ccc(Br)cc3)ccc12 ZINC000002095252 569280898 /nfs/dbraw/zinc/28/08/98/569280898.db2.gz QYQBSOMLFRKUQS-UHFFFAOYSA-N 0 0 401.256 4.688 50 0 biogenic HJAARN CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nc2sc(C)c(C)c2c1=O ZINC000000649941 569282254 /nfs/dbraw/zinc/28/22/54/569282254.db2.gz BCYCFGNHNHCTJO-UHFFFAOYSA-N 0 0 421.975 4.787 50 0 HJAARN COc1ccc(C(=O)CSc2nnc(SCc3ccccc3)s2)cc1OC ZINC000001088239 569282378 /nfs/dbraw/zinc/28/23/78/569282378.db2.gz YOJWUGWAUHPVNB-UHFFFAOYSA-N 0 0 418.565 4.823 50 0 HJAARN CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nc2sc(C)c(C)c2c1=O ZINC000002264804 569282629 /nfs/dbraw/zinc/28/26/29/569282629.db2.gz MEHQMYUHVLYOAA-UHFFFAOYSA-N 0 0 415.584 4.949 50 0 HJAARN CCOc1ccccc1OCC(=O)N(Cc1cccs1)Cc1ccccc1OC ZINC000007596904 569287782 /nfs/dbraw/zinc/28/77/82/569287782.db2.gz AOIYMZQRKULIRE-UHFFFAOYSA-N 0 0 411.523 4.763 50 0 HJAARN Nc1c2c(nn1-c1cc(F)ccc1F)nc(NC1CCCC1)nc2-c1cccc(F)c1 ZINC000037375695 569287891 /nfs/dbraw/zinc/28/78/91/569287891.db2.gz MEIOBTKBAKPWNS-UHFFFAOYSA-N 0 0 424.430 4.837 50 0 HJAARN COc1ccccc1N1CCN(c2cc(Oc3ccc(Cl)c(C)c3)ncn2)CC1 ZINC000037376494 569287923 /nfs/dbraw/zinc/28/79/23/569287923.db2.gz SVPCSTGMVFDHAD-UHFFFAOYSA-N 0 0 410.905 4.566 50 0 HJAARN O=C(c1cc2ccccc2n1Cc1ccccc1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000252536318 569292863 /nfs/dbraw/zinc/29/28/63/569292863.db2.gz IDTHMDWBUCJNHP-PFATUAPWSA-N 0 0 402.538 4.845 50 0 HJAARN CC(C)n1nc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)c2ccccc2c1=O ZINC000054690486 569294636 /nfs/dbraw/zinc/29/46/36/569294636.db2.gz DFOSDLYCISCJJS-UHFFFAOYSA-N 0 0 413.880 4.575 50 0 HJAARN Cc1cccc(C)c1NC(=O)Cn1c(=O)nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000007616056 569295892 /nfs/dbraw/zinc/29/58/92/569295892.db2.gz XSONRAGSLQMBID-UHFFFAOYSA-N 0 0 417.896 4.972 50 0 HJAARN CCn1c(S[C@@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)nnc1C1CC1 ZINC000007618192 569295903 /nfs/dbraw/zinc/29/59/03/569295903.db2.gz RYBZAOCHFZCPHF-HXUWFJFHSA-N 0 0 420.538 4.850 50 0 HJAARN O=C(CN1CC=C(c2ccccc2)CC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000007647391 569298426 /nfs/dbraw/zinc/29/84/26/569298426.db2.gz SMTQTPHCXLFJLP-OAQYLSRUSA-N 0 0 417.578 4.792 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000007654587 569299127 /nfs/dbraw/zinc/29/91/27/569299127.db2.gz GLIDYBLRQGVJER-FRXJQHJJSA-N 0 0 420.475 4.851 50 0 HJAARN O=C(C1CC1)N(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037440584 569299614 /nfs/dbraw/zinc/29/96/14/569299614.db2.gz SWEGFGUDMIJIFU-LJQANCHMSA-N 0 0 420.406 4.776 50 0 HJAARN Cn1c(Cl)c(Cl)cc1C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000065854867 569299822 /nfs/dbraw/zinc/29/98/22/569299822.db2.gz VBFAKZGRGKERHA-LLVKDONJSA-N 0 0 403.693 4.795 50 0 HJAARN COc1ccc(CN(C)CC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 ZINC000007668281 569299857 /nfs/dbraw/zinc/29/98/57/569299857.db2.gz SBBQAVBUIBKNBH-UHFFFAOYSA-N 0 0 404.466 4.674 50 0 HJAARN CC[C@@H](C)Cc1c(C)sc2[nH]c(SCC(=O)Nc3ccccc3C)nc(=O)c12 ZINC000007672475 569299973 /nfs/dbraw/zinc/29/99/73/569299973.db2.gz GQJDRWDPFFRHSC-GFCCVEGCSA-N 0 0 415.584 4.921 50 0 HJAARN COc1ccc(CCNC(=O)c2ccccc2SCc2ccccc2)cc1OC ZINC000007684705 569300700 /nfs/dbraw/zinc/30/07/00/569300700.db2.gz KNDRDZFRYKFAAM-UHFFFAOYSA-N 0 0 407.535 4.969 50 0 HJAARN O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)N1CC=C(c2ccccc2)CC1 ZINC000007692138 569301050 /nfs/dbraw/zinc/30/10/50/569301050.db2.gz NFXQZKMJTUHYRY-UHFFFAOYSA-N 0 0 416.550 4.553 50 0 HJAARN CCNC(=O)c1cccc(NC(=O)c2cccnc2Sc2ccc(C)c(C)c2)c1 ZINC000007717637 569301969 /nfs/dbraw/zinc/30/19/69/569301969.db2.gz PBTWCIXQKARWRD-UHFFFAOYSA-N 0 0 405.523 4.852 50 0 HJAARN CCc1ccc(-c2nc(C(=O)O[C@H](C)C(=O)Nc3ccc(Cl)cn3)cs2)cc1 ZINC000007722705 569302656 /nfs/dbraw/zinc/30/26/56/569302656.db2.gz BBQKRRMEALANFO-GFCCVEGCSA-N 0 0 415.902 4.605 50 0 HJAARN Cc1cc(Cl)ccc1N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@H](C)C1=O ZINC000037521127 569303068 /nfs/dbraw/zinc/30/30/68/569303068.db2.gz PWYZVPJKWFWIMG-CYBMUJFWSA-N 0 0 410.823 4.545 50 0 HJAARN COc1cc(OC)c(CN2CCCn3cccc3[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000037522442 569303320 /nfs/dbraw/zinc/30/33/20/569303320.db2.gz WZDQDYKMPVIABJ-XMMPIXPASA-N 0 0 410.489 4.648 50 0 HJAARN O=C(NCc1ccccc1F)c1cc2sc(Br)cc2n1CC1CC1 ZINC000037527069 569304314 /nfs/dbraw/zinc/30/43/14/569304314.db2.gz QIESTFKYNDRZSS-UHFFFAOYSA-N 0 0 407.308 4.944 50 0 HJAARN O=C(c1cc2sc(Br)cc2n1Cc1ccccc1F)N1CCCC1 ZINC000037526944 569304325 /nfs/dbraw/zinc/30/43/25/569304325.db2.gz WKNHWXBRPHGQCR-UHFFFAOYSA-N 0 0 407.308 4.889 50 0 HJAARN O=C(CSc1n[nH]c(-c2ccccc2)n1)N[C@H](c1cccs1)c1ccccc1 ZINC000007733520 569304438 /nfs/dbraw/zinc/30/44/38/569304438.db2.gz WPZYJIDYHOFAKR-IBGZPJMESA-N 0 0 406.536 4.531 50 0 HJAARN CCCn1c(C(=O)NCCc2ccccc2OC)cc2sc(Br)cc21 ZINC000037543055 569305246 /nfs/dbraw/zinc/30/52/46/569305246.db2.gz SEWODEKCCDGJBC-UHFFFAOYSA-N 0 0 421.360 4.856 50 0 HJAARN CC(C)CNC(=O)c1cc2scc(Br)c2n1CCOc1ccccc1 ZINC000037542879 569305268 /nfs/dbraw/zinc/30/52/68/569305268.db2.gz CEWJCCYRFGHJJU-UHFFFAOYSA-N 0 0 421.360 4.930 50 0 HJAARN COc1ccc(CN2CCCN(c3ccc(NC(=O)c4ccccc4)cc3)C2=O)cc1 ZINC000037544653 569305478 /nfs/dbraw/zinc/30/54/78/569305478.db2.gz GYSKSGRPAQQMFF-UHFFFAOYSA-N 0 0 415.493 4.780 50 0 HJAARN Cc1cccc(Cn2c(C(=O)NCC3CC3)cc3scc(Br)c32)c1 ZINC000037545047 569305487 /nfs/dbraw/zinc/30/54/87/569305487.db2.gz VTPXLVGEDLWFMT-UHFFFAOYSA-N 0 0 403.345 4.962 50 0 HJAARN CCCCNC(=O)N1C[C@@H](C(=O)NCc2ccccc2)CC[C@H]1c1cccc(C)c1 ZINC000037546538 569305945 /nfs/dbraw/zinc/30/59/45/569305945.db2.gz ZJHCQGMDGFLUBC-GOTSBHOMSA-N 0 0 407.558 4.574 50 0 HJAARN CCC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)NCc2ccc(F)cc2)cc1 ZINC000037556451 569306360 /nfs/dbraw/zinc/30/63/60/569306360.db2.gz ZIGWOKJFIWNQAW-UHFFFAOYSA-N 0 0 418.512 4.936 50 0 HJAARN CC(C)c1ccc([C@]2(C)NC(=O)N(Cc3csc(-c4ccccc4)n3)C2=O)cc1 ZINC000007777914 569308803 /nfs/dbraw/zinc/30/88/03/569308803.db2.gz XJQRESOUYOYKFO-QHCPKHFHSA-N 0 0 405.523 4.901 50 0 HJAARN O=C(Nc1ccccc1-c1nc2ccccc2s1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000007779099 569308967 /nfs/dbraw/zinc/30/89/67/569308967.db2.gz ZHXCTASDSLIJKA-OAHLLOKOSA-N 0 0 405.523 4.693 50 0 HJAARN Cc1ccc(Sc2ncccc2C(=O)Nc2ccnn2Cc2ccccn2)c(C)c1 ZINC000007779289 569309093 /nfs/dbraw/zinc/30/90/93/569309093.db2.gz DLTJZUDFMVTMCH-UHFFFAOYSA-N 0 0 415.522 4.742 50 0 HJAARN Cc1cc(-c2csc(NC(=O)Cc3c(C)noc3C)n2)c(C)n1Cc1ccco1 ZINC000007781035 569309877 /nfs/dbraw/zinc/30/98/77/569309877.db2.gz AYFNYCGZGPLXLP-UHFFFAOYSA-N 0 0 410.499 4.656 50 0 HJAARN C[C@@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)c1ccccc1 ZINC000007789774 569310685 /nfs/dbraw/zinc/31/06/85/569310685.db2.gz MLNKKEJAAFTILR-OAHLLOKOSA-N 0 0 417.538 4.731 50 0 HJAARN O=C([C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)c1ccccc1)N1CCCCC1 ZINC000007799901 569311073 /nfs/dbraw/zinc/31/10/73/569311073.db2.gz RMOGZEHGCWJRRH-FQEVSTJZSA-N 0 0 419.554 4.521 50 0 HJAARN O=C(COc1ccccc1Cc1ccccc1)Nc1ccnn1Cc1cccs1 ZINC000007793979 569311080 /nfs/dbraw/zinc/31/10/80/569311080.db2.gz NBZFZONUAKNGBQ-UHFFFAOYSA-N 0 0 403.507 4.601 50 0 HJAARN CCCSc1nc2sc3c(c2c2nnc(SCC(=O)OC)n21)[C@@H](C)CCC3 ZINC000002216706 569311304 /nfs/dbraw/zinc/31/13/04/569311304.db2.gz XYJSHPDQLOCBIA-JTQLQIEISA-N 0 0 422.601 4.546 50 0 HJAARN COc1cccc(CSc2nc3ccccc3c(=O)n2-c2cccc(OC)c2)c1 ZINC000007802623 569311763 /nfs/dbraw/zinc/31/17/63/569311763.db2.gz OLDIUIKRQXMXRI-UHFFFAOYSA-N 0 0 404.491 4.695 50 0 HJAARN CSc1nc2sc3c(c2c2nnc(SCc4ccccc4F)n21)CCC3 ZINC000002221118 569312886 /nfs/dbraw/zinc/31/28/86/569312886.db2.gz MNZZXPYXFSJPDY-UHFFFAOYSA-N 0 0 402.545 4.981 50 0 HJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(Nc3cccc(F)c3)s2)c1C ZINC000007826292 569313298 /nfs/dbraw/zinc/31/32/98/569313298.db2.gz LAWZTAQMCVQAST-GFCCVEGCSA-N 0 0 418.519 4.932 50 0 HJAARN O=C(CSc1nnc(Cc2cccs2)n1C1CC1)N(C1=CCCCC1)C1CC1 ZINC000007844520 569314312 /nfs/dbraw/zinc/31/43/12/569314312.db2.gz LYWTYSGGBYLTHP-UHFFFAOYSA-N 0 0 414.600 4.806 50 0 HJAARN COc1cccc(NC(=O)[C@H](Sc2nnc(C3CC3)n2C2CC2)c2ccccc2)c1 ZINC000007851781 569314601 /nfs/dbraw/zinc/31/46/01/569314601.db2.gz IMDMZUAWKXXMTN-HXUWFJFHSA-N 0 0 420.538 4.971 50 0 HJAARN Cc1ccc(NC(=O)Cc2nc(CN(Cc3ccccc3F)C3CC3)cs2)cc1 ZINC000007858252 569314856 /nfs/dbraw/zinc/31/48/56/569314856.db2.gz NBWYGLPPNWZTTH-UHFFFAOYSA-N 0 0 409.530 4.936 50 0 HJAARN Cc1sc2nc(S[C@H](C)C(=O)N(C(C)C)C(C)C)n(CC(C)C)c(=O)c2c1C ZINC000007866250 569314926 /nfs/dbraw/zinc/31/49/26/569314926.db2.gz QUZVWCQNUCZZHZ-MRXNPFEDSA-N 0 0 423.648 4.857 50 0 HJAARN CCCN1C(=O)c2ccccc2N[C@H]1c1cc(Br)c(OC)c(OCC)c1 ZINC000007886648 569315246 /nfs/dbraw/zinc/31/52/46/569315246.db2.gz UDXZHZPNACLMGT-LJQANCHMSA-N 0 0 419.319 4.833 50 0 HJAARN Cc1nn(Cc2ccc(F)cc2)c(Cl)c1[C@H]1Nc2ccccc2C(=O)N1C1CC1 ZINC000007886326 569315282 /nfs/dbraw/zinc/31/52/82/569315282.db2.gz UXICMMZGQKFUMN-NRFANRHFSA-N 0 0 410.880 4.761 50 0 HJAARN COc1ccc([C@H](CNC(=O)COc2ccccc2)c2c[nH]c3ccccc32)cc1 ZINC000007890173 569315369 /nfs/dbraw/zinc/31/53/69/569315369.db2.gz AGAAPCKBMLBWNN-QFIPXVFZSA-N 0 0 400.478 4.504 50 0 HJAARN COc1ccc2c(=O)c(=Cc3cc(Cl)cc(Cl)c3OC)oc3cccc1c32 ZINC000252667662 569319064 /nfs/dbraw/zinc/31/90/64/569319064.db2.gz DDYKNVIFYDRUDZ-UHFFFAOYSA-N 0 0 401.245 4.818 50 0 HJAARN C/C=C/C(=O)OCC(=O)Nc1cc(-c2cc(C)c(C)cc2C)nn1-c1ccccc1 ZINC000002631537 569320507 /nfs/dbraw/zinc/32/05/07/569320507.db2.gz JOGOIAOFLXKIBC-WEVVVXLNSA-N 0 0 403.482 4.522 50 0 HJAARN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N(C)CC(=O)Nc1ccccc1Cl ZINC000007912457 569321680 /nfs/dbraw/zinc/32/16/80/569321680.db2.gz PUJBVVDIBCEZCB-JKSUJKDBSA-N 0 0 401.938 4.751 50 0 HJAARN O=C(Nc1ccccc1Oc1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000001518243 569322029 /nfs/dbraw/zinc/32/20/29/569322029.db2.gz FLKYZWCADJJPIM-UHFFFAOYSA-N 0 0 422.506 4.516 50 0 HJAARN CCOc1ccccc1C(=O)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccc(F)cc1 ZINC000002724676 569322393 /nfs/dbraw/zinc/32/23/93/569322393.db2.gz ZFMDNJOCIKCJCX-QHCPKHFHSA-N 0 0 422.431 4.547 50 0 HJAARN CCOC(=O)c1[nH]c2ccccc2c1NC(=O)COc1ccc(Cl)cc1Cl ZINC000002721968 569322448 /nfs/dbraw/zinc/32/24/48/569322448.db2.gz GTRUCBGFVSXGRO-UHFFFAOYSA-N 0 0 407.253 4.669 50 0 HJAARN CCCCCCn1c(N)c(C(=O)NCc2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000002247406 569324357 /nfs/dbraw/zinc/32/43/57/569324357.db2.gz HJPSLKCGCNIKKK-UHFFFAOYSA-N 0 0 415.541 4.985 50 0 HJAARN Cc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3Br)c(Cl)cc12 ZINC000002252956 569324642 /nfs/dbraw/zinc/32/46/42/569324642.db2.gz NGAKQTLJVPPVEZ-UHFFFAOYSA-N 0 0 422.662 4.535 50 0 HJAARN O=C(Cc1ccccc1)Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 ZINC000002257192 569324836 /nfs/dbraw/zinc/32/48/36/569324836.db2.gz TYHAYHUSHNHAOQ-UHFFFAOYSA-N 0 0 405.461 4.640 50 0 HJAARN CCOP(=O)(OCC)[C@H](NC(=O)c1ccccc1C)C(Cl)(Cl)Cl ZINC000002257359 569324872 /nfs/dbraw/zinc/32/48/72/569324872.db2.gz PRKKMPHCQFZXIT-ZDUSSCGKSA-N 0 0 402.642 4.687 50 0 HJAARN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccccc2)c2ccc3c(c2)OCO3)cc1 ZINC000019878220 569357446 /nfs/dbraw/zinc/35/74/46/569357446.db2.gz AQDXXTUZDJPRNS-HSZRJFAPSA-N 0 0 408.475 4.512 50 0 HJAARN Cc1ccc(-n2c([C@H](C)N(C)C(=O)NC(C)(C)C)nc3ccccc3c2=O)cc1C ZINC000019927557 569357563 /nfs/dbraw/zinc/35/75/63/569357563.db2.gz YJJAFMUXSHTNMV-KRWDZBQOSA-N 0 0 406.530 4.503 50 0 HJAARN COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccccc2)c1 ZINC000026771776 569357614 /nfs/dbraw/zinc/35/76/14/569357614.db2.gz ROXJCVJZPAJKGV-HFLLPRHDSA-N 0 0 421.537 4.612 50 0 biogenic HJAARN CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]21 ZINC000106106008 569359346 /nfs/dbraw/zinc/35/93/46/569359346.db2.gz RYMZZMVNJRMUDD-HQHMUHMBSA-N 0 0 418.574 4.586 50 0 HJAARN CCCCn1c2nc3ccccc3nc2c(C(=O)OCC)c1NC(=O)c1ccccc1 ZINC000002280628 569363827 /nfs/dbraw/zinc/36/38/27/569363827.db2.gz WWRDBWVQVPAHMY-UHFFFAOYSA-N 0 0 416.481 4.814 50 0 HJAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]12C ZINC000257347577 569363884 /nfs/dbraw/zinc/36/38/84/569363884.db2.gz LOJPGRHPJBGMMF-VVSVKCPTSA-N 0 0 404.591 4.775 50 0 HJAARN COc1cc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)cc(Cl)c1OC(C)=O ZINC000002284907 569364525 /nfs/dbraw/zinc/36/45/25/569364525.db2.gz DWXQAKSAXUCKPZ-GRSHGNNSSA-N 0 0 421.836 4.772 50 0 HJAARN COc1ccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccccc5)coc4c32)cc1O ZINC000253395650 569365143 /nfs/dbraw/zinc/36/51/43/569365143.db2.gz AMZRPWXKUDAIPQ-KRWDZBQOSA-N 0 0 414.413 4.615 50 0 biogenic HJAARN O=C1C[C@H](c2ccc3c(c2)OCO3)c2c(ccc3c(=O)c(-c4ccccc4)coc32)O1 ZINC000253399107 569365471 /nfs/dbraw/zinc/36/54/71/569365471.db2.gz COVLHCYLUSZDAA-QGZVFWFLSA-N 0 0 412.397 4.630 50 0 biogenic HJAARN O=c1c2ccccc2nc(-c2ccccc2F)n1NCc1ccc(Br)cc1 ZINC000027531332 569366674 /nfs/dbraw/zinc/36/66/74/569366674.db2.gz CEXJXTHCPVQZCR-UHFFFAOYSA-N 0 0 424.273 4.709 50 0 HJAARN COc1cc2nc(Cl)c([C@@H]3CC(c4ccccc4)=NN3C(C)=O)cc2c(OC)c1 ZINC000253430107 569368760 /nfs/dbraw/zinc/36/87/60/569368760.db2.gz DRBYXWXAVDVSCK-FQEVSTJZSA-N 0 0 409.873 4.603 50 0 HJAARN C=C=CSc1nnc2n1c1c(c(=O)n2CC)C2(CCCCC2)Cc2ccccc2-1 ZINC000002296037 569369437 /nfs/dbraw/zinc/36/94/37/569369437.db2.gz NOBBBMRHDHCTCM-UHFFFAOYSA-N 0 0 404.539 4.727 50 0 HJAARN CCCCCCn1c(N)c(C(=O)NCc2ccccc2)c2nc3ccccc3nc21 ZINC000002299392 569369678 /nfs/dbraw/zinc/36/96/78/569369678.db2.gz MFCJKHAHLULVLI-UHFFFAOYSA-N 0 0 401.514 4.677 50 0 HJAARN CCCCCCNC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc21 ZINC000002306573 569372512 /nfs/dbraw/zinc/37/25/12/569372512.db2.gz RRDQRKBVHSNRSP-UHFFFAOYSA-N 0 0 401.514 4.525 50 0 HJAARN C[C@H](NC(=O)CCCCCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 ZINC000002309623 569372794 /nfs/dbraw/zinc/37/27/94/569372794.db2.gz DVINHIDZHWXMON-IBGZPJMESA-N 0 0 406.526 4.891 50 0 HJAARN CCc1ccc(-n2c(N)c(C(=O)NCc3ccccc3)c3nc4ccccc4nc32)cc1 ZINC000002312633 569373969 /nfs/dbraw/zinc/37/39/69/569373969.db2.gz DVCBKIDQVFIOHJ-UHFFFAOYSA-N 0 0 421.504 4.648 50 0 HJAARN CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@@](C)(CC)OC3 ZINC000002346749 569379283 /nfs/dbraw/zinc/37/92/83/569379283.db2.gz USLDDZLDXSMSOT-OAQYLSRUSA-N 0 0 400.569 4.860 50 0 HJAARN O=C(N[C@@H]1CC[C@@H]2OCCO[C@H]2C1)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000253472850 569381355 /nfs/dbraw/zinc/38/13/55/569381355.db2.gz QCOKBBAEXPECJU-UXPWSPDFSA-N 0 0 406.309 4.727 50 0 HJAARN COc1ccc(-n2c(SCc3cccc(OC)c3)nnc2-c2ccccn2)cc1 ZINC000002356642 569385455 /nfs/dbraw/zinc/38/54/55/569385455.db2.gz TZPFEFICTZVSCR-UHFFFAOYSA-N 0 0 404.495 4.639 50 0 HJAARN CCOC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@@H](C(=O)OCC)[C@@H]1c1ccco1 ZINC000002359797 569385578 /nfs/dbraw/zinc/38/55/78/569385578.db2.gz KQEGCJRLMNRRQP-IRLDBZIGSA-N 0 0 409.482 4.740 50 0 HJAARN CCCCCNC(=O)c1c(N)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc21 ZINC000002360381 569386432 /nfs/dbraw/zinc/38/64/32/569386432.db2.gz PZZAMUJXNUHOOM-UHFFFAOYSA-N 0 0 401.514 4.693 50 0 HJAARN CCCCOC(=O)c1ccc(Nc2ncnc3c2cnn3-c2cccc(C)c2)cc1 ZINC000002364150 569387457 /nfs/dbraw/zinc/38/74/57/569387457.db2.gz BHSNXADIZNFBGM-UHFFFAOYSA-N 0 0 401.470 4.824 50 0 HJAARN O=c1c2ccccc2nc(SCc2ccc(F)cc2)n1OCc1ccc(F)cc1 ZINC000002368573 569388448 /nfs/dbraw/zinc/38/84/48/569388448.db2.gz ABWUNUMUMNLODZ-UHFFFAOYSA-N 0 0 410.445 4.596 50 0 HJAARN COC(=O)C[C@@H](NC(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 ZINC000009389982 569392572 /nfs/dbraw/zinc/39/25/72/569392572.db2.gz JBZJIOMOHMZEHS-SYJIQKIWSA-N 0 0 411.807 4.793 50 0 HJAARN COc1ccc([C@@H](O)[P@](=O)(OCc2ccccc2)c2ccc(N(C)C)cc2)cc1 ZINC000002397668 569394580 /nfs/dbraw/zinc/39/45/80/569394580.db2.gz ZBCHVPFBTSZELS-MUAVYFROSA-N 0 0 411.438 4.573 50 0 HJAARN CC(C)c1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000002421076 569398060 /nfs/dbraw/zinc/39/80/60/569398060.db2.gz KIWVVNZGWKXGME-PGRDOPGGSA-N 0 0 421.468 4.780 50 0 HJAARN CC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000002424349 569398403 /nfs/dbraw/zinc/39/84/03/569398403.db2.gz PDZVGUBLBINTCB-DLBZAZTESA-N 0 0 402.285 4.690 50 0 HJAARN CN(C)c1ccc([C@@H](O)[P@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1 ZINC000002439012 569400096 /nfs/dbraw/zinc/40/00/96/569400096.db2.gz SHTXJBNMQKJCIG-MUAVYFROSA-N 0 0 416.502 4.762 50 0 HJAARN CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(Cl)C4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000012656475 569402494 /nfs/dbraw/zinc/40/24/94/569402494.db2.gz QQEHDZXXCDSAFE-RXTKGBSXSA-N 0 0 406.950 4.544 50 0 biogenic HJAARN NC(=O)c1cccc(NC(=O)/C(=C/c2ccc(OC(F)F)cc2)c2ccccc2)c1 ZINC000012947335 569405158 /nfs/dbraw/zinc/40/51/58/569405158.db2.gz WBZVDRSKPFVSFM-DEDYPNTBSA-N 0 0 408.404 4.566 50 0 HJAARN Cc1cc(C)n(-c2ccc(Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)nn2)n1 ZINC000013009933 569407091 /nfs/dbraw/zinc/40/70/91/569407091.db2.gz ZIMZTZRUHSCEGY-UHFFFAOYSA-N 0 0 417.448 4.806 50 0 HJAARN COc1cc(CSc2nc(CC(=O)Nc3ccc(C)cc3)cs2)cc(OC)c1 ZINC000013010328 569407217 /nfs/dbraw/zinc/40/72/17/569407217.db2.gz PCIRHMROFUFVHG-UHFFFAOYSA-N 0 0 414.552 4.942 50 0 HJAARN Cc1ccc(N2C[C@H](c3nc(-c4ccc(C(F)(F)F)cc4)no3)CC2=O)cc1F ZINC000013037052 569407633 /nfs/dbraw/zinc/40/76/33/569407633.db2.gz KQKIVCPFBZSSCD-CYBMUJFWSA-N 0 0 405.351 4.723 50 0 HJAARN CCn1c(C)cc(C(=O)CSc2nnc(-c3cccc(Br)c3)o2)c1C ZINC000013121006 569409568 /nfs/dbraw/zinc/40/95/68/569409568.db2.gz UQIQAEBYAMZAHI-UHFFFAOYSA-N 0 0 420.332 4.912 50 0 HJAARN O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000013141288 569409852 /nfs/dbraw/zinc/40/98/52/569409852.db2.gz UKTYHSBITJZGAP-HSZRJFAPSA-N 0 0 423.919 4.981 50 0 HJAARN COc1ccc2[nH]c(C)c(CCN(Cc3ccncc3)C(=S)NC(C)(C)C)c2c1 ZINC000013283405 569410377 /nfs/dbraw/zinc/41/03/77/569410377.db2.gz FUPRLBVWRMBHBN-UHFFFAOYSA-N 0 0 410.587 4.598 50 0 HJAARN O=C(c1c(F)cccc1Cl)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccccc1 ZINC000002456711 569410717 /nfs/dbraw/zinc/41/07/17/569410717.db2.gz ZICXGGCEOONTDT-OAQYLSRUSA-N 0 0 412.823 4.802 50 0 HJAARN O=C(c1ccco1)N1c2nc(-c3cccnc3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013370149 569412768 /nfs/dbraw/zinc/41/27/68/569412768.db2.gz DVBLYFBARUJDBM-MOPGFXCFSA-N 0 0 417.513 4.812 50 0 biogenic HJAARN CCCN(C(=O)CCc1nc(-c2ccco2)no1)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000078874801 569421085 /nfs/dbraw/zinc/42/10/85/569421085.db2.gz QRCKEXNIJDELPO-RBUKOAKNSA-N 0 0 415.534 4.629 50 0 HJAARN CCCCC1CCC(C(=O)N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)CC1 ZINC000078996244 569423260 /nfs/dbraw/zinc/42/32/60/569423260.db2.gz PQLMFHKWNNDFKJ-VIQWUECVSA-N 0 0 404.570 4.961 50 0 HJAARN C[C@@H](Sc1ccccc1Cl)C(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000079022626 569424522 /nfs/dbraw/zinc/42/45/22/569424522.db2.gz XJOOPFNTCSLHAG-UONOGXRCSA-N 0 0 401.919 4.672 50 0 HJAARN C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1noc(-c2ccc(Cl)cc2)n1 ZINC000079024806 569424701 /nfs/dbraw/zinc/42/47/01/569424701.db2.gz WRUCMRQUIDWXQE-VXGBXAGGSA-N 0 0 406.269 4.688 50 0 HJAARN CC(C)Oc1ccc(C(=O)N2CCCC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)cn1 ZINC000079046152 569425170 /nfs/dbraw/zinc/42/51/70/569425170.db2.gz LRWFJSWGAMIQHI-FQEVSTJZSA-N 0 0 408.477 4.765 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)/C=C/c1cccc(Br)c1 ZINC000019617779 569425323 /nfs/dbraw/zinc/42/53/23/569425323.db2.gz UQVAMQRKTXYCOT-OUKQBFOZSA-N 0 0 424.342 4.923 50 0 HJAARN COc1cc2[nH]c(CCCNC(=O)CCc3ccc(Cl)s3)cc2c(OC)c1 ZINC000079057512 569426068 /nfs/dbraw/zinc/42/60/68/569426068.db2.gz MRKOTUVDGUSCIN-UHFFFAOYSA-N 0 0 406.935 4.582 50 0 HJAARN CCNC(=O)Oc1ccc2cc(-c3ncc(C(F)(F)F)cc3Cl)c(=O)oc2c1 ZINC000263639737 571043548 /nfs/dbraw/zinc/04/35/48/571043548.db2.gz GTHWUTBYSWLHEC-UHFFFAOYSA-N 0 0 412.751 4.636 50 0 HJAARN COc1ccc(CNC(=O)c2cc(-c3sc(-c4ccc(F)cc4)nc3C)n[nH]2)cc1 ZINC000038651929 571052134 /nfs/dbraw/zinc/05/21/34/571052134.db2.gz PFYHXLFTAAKFQS-UHFFFAOYSA-N 0 0 422.485 4.586 50 0 HJAARN O=c1cc(-c2ccccc2)nc(SCc2nc(-c3ccc(F)c(Cl)c3)no2)[nH]1 ZINC000038654273 571052877 /nfs/dbraw/zinc/05/28/77/571052877.db2.gz CGMAEOOUEOJEPH-UHFFFAOYSA-N 0 0 414.849 4.984 50 0 HJAARN Clc1cccc(-c2noc(Cc3nnc(-c4cccc(Br)c4)o3)n2)c1 ZINC000067246228 571054336 /nfs/dbraw/zinc/05/43/36/571054336.db2.gz JSNARYJLYJEYNX-UHFFFAOYSA-N 0 0 417.650 4.793 50 0 HJAARN CCc1ccc(-c2nc(S[C@H](C)C(=O)N[C@H]3CCCc4ccccc43)n[nH]2)cc1 ZINC000008484232 571055091 /nfs/dbraw/zinc/05/50/91/571055091.db2.gz SYYKEQGHHPERIS-QRWLVFNGSA-N 0 0 406.555 4.709 50 0 HJAARN Cc1cc(SCC(=O)NCCc2ccc(Cl)cc2)nc(-c2ccc(F)cc2)n1 ZINC000067257221 571056947 /nfs/dbraw/zinc/05/69/47/571056947.db2.gz CYTRRRVRPSKSSQ-UHFFFAOYSA-N 0 0 415.921 4.696 50 0 HJAARN COc1ccc(OC)c(-n2c(=O)c3ccccc3nc2SCc2ccccc2)c1 ZINC000067258934 571058252 /nfs/dbraw/zinc/05/82/52/571058252.db2.gz PKJLPWLGQLMVSF-UHFFFAOYSA-N 0 0 404.491 4.695 50 0 HJAARN CC(=O)NCc1ccc(C(=O)COc2ccc3cc(Br)ccc3c2)cc1 ZINC000008508218 571062814 /nfs/dbraw/zinc/06/28/14/571062814.db2.gz QTYFGQARQGBKAQ-UHFFFAOYSA-N 0 0 412.283 4.500 50 0 HJAARN Cc1cccc(N2CCN(c3nccn4nc(-c5ccc(Cl)cc5)cc34)CC2)c1C ZINC000067284788 571063522 /nfs/dbraw/zinc/06/35/22/571063522.db2.gz ZUXPQHNOSOYOHP-UHFFFAOYSA-N 0 0 417.944 4.993 50 0 HJAARN Cc1ccccc1-c1cc2c(N3CCN(c4cc(Cl)ccc4C)CC3)nccn2n1 ZINC000067285496 571064002 /nfs/dbraw/zinc/06/40/02/571064002.db2.gz LICBGYPRTLTJNF-UHFFFAOYSA-N 0 0 417.944 4.993 50 0 HJAARN Fc1ccc(-c2cc3c(N4CCN(c5ccccc5Cl)CC4)nccn3n2)cc1 ZINC000067285012 571064008 /nfs/dbraw/zinc/06/40/08/571064008.db2.gz ATZJFFJXEHKUKQ-UHFFFAOYSA-N 0 0 407.880 4.515 50 0 HJAARN CCc1ccc(CNc2c(C(=O)N3CCOCC3)cnc3ccc(Cl)cc32)cc1 ZINC000067288320 571066065 /nfs/dbraw/zinc/06/60/65/571066065.db2.gz YOMHEACQBNFJJS-UHFFFAOYSA-N 0 0 409.917 4.535 50 0 HJAARN CCOc1ccc(-c2cc3c(SCC(=O)N4CCCC[C@H]4CC)nccn3n2)cc1 ZINC000067290329 571066838 /nfs/dbraw/zinc/06/68/38/571066838.db2.gz MSGGOPDGTJGXFJ-GOSISDBHSA-N 0 0 424.570 4.678 50 0 HJAARN Cc1ccc(-c2cc3c(SCC(=O)N4CCc5ccccc54)nccn3n2)cc1C ZINC000067289972 571066953 /nfs/dbraw/zinc/06/69/53/571066953.db2.gz HJEUKHOVFOEDGX-UHFFFAOYSA-N 0 0 414.534 4.695 50 0 HJAARN O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)c1nc2ccccc2s1 ZINC000038708856 571067699 /nfs/dbraw/zinc/06/76/99/571067699.db2.gz AFYOEQPXQIYPNA-UHFFFAOYSA-N 0 0 405.504 4.813 50 0 HJAARN Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)cc1C ZINC000067292754 571068310 /nfs/dbraw/zinc/06/83/10/571068310.db2.gz TUIIKLXIEWVNNU-YXKKDJNZSA-N 0 0 410.901 4.844 50 0 HJAARN Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cc(C)ccc2F)nc1 ZINC000067294426 571069851 /nfs/dbraw/zinc/06/98/51/571069851.db2.gz VSRCAMJTMNHMLL-RWEWTDSWSA-N 0 0 403.413 4.774 50 0 HJAARN COc1ccccc1/N=c1\oc2c(cccc2OC)cc1C(=O)Nc1cccc(C)n1 ZINC000067295631 571070871 /nfs/dbraw/zinc/07/08/71/571070871.db2.gz VZUCPNTVLGFLMU-LCUIJRPUSA-N 0 0 415.449 4.638 50 0 HJAARN C[C@@H](C(=O)NCc1ccccc1Cl)N1CCC(c2nc3ccccc3s2)CC1 ZINC000008533021 571074731 /nfs/dbraw/zinc/07/47/31/571074731.db2.gz VQDFXACHPHVECQ-HNNXBMFYSA-N 0 0 413.974 4.834 50 0 HJAARN C[C@H](NC(=O)c1ccc(Oc2nccnc2N2CCCCC2)cc1)c1ccc(F)cc1 ZINC000067323954 571079126 /nfs/dbraw/zinc/07/91/26/571079126.db2.gz JWAIHJRDEBLEDQ-KRWDZBQOSA-N 0 0 420.488 4.889 50 0 HJAARN C[C@@H]1Cc2cc(-c3cc(COC(=O)CSc4nc5ccccc5o4)no3)ccc2O1 ZINC000038758126 571079176 /nfs/dbraw/zinc/07/91/76/571079176.db2.gz RWOOTRBBOFGZTO-CYBMUJFWSA-N 0 0 422.462 4.642 50 0 HJAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)NC2CCC(C)CC2)c1C ZINC000008583657 571082759 /nfs/dbraw/zinc/08/27/59/571082759.db2.gz QBSPHTVWBIMZEQ-UHFFFAOYSA-N 0 0 414.521 4.864 50 0 HJAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)NCc2ccc(C)cc2)c1C ZINC000008583642 571082790 /nfs/dbraw/zinc/08/27/90/571082790.db2.gz CWSCRFQCRQPDGU-UHFFFAOYSA-N 0 0 422.500 4.794 50 0 HJAARN Cc1ccccc1CNC(=O)c1ccccc1NC(=O)c1nsc2ccccc21 ZINC000008599149 571089202 /nfs/dbraw/zinc/08/92/02/571089202.db2.gz DXLKTAIPPZMNKV-UHFFFAOYSA-N 0 0 401.491 4.787 50 0 HJAARN Cc1cc(C)c(NC(=O)[C@H](C)n2c3ccccc3nc(C(F)(F)F)c2=O)c(C)c1 ZINC000008599699 571089437 /nfs/dbraw/zinc/08/94/37/571089437.db2.gz QNKLQPMGBGDJJP-AWEZNQCLSA-N 0 0 403.404 4.540 50 0 HJAARN COc1cc(NS(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCCCC4)cc(OC)c1 ZINC000008600755 571089877 /nfs/dbraw/zinc/08/98/77/571089877.db2.gz NSUAALIQDPWVHE-UHFFFAOYSA-N 0 0 414.527 4.645 50 0 HJAARN Cc1c(-c2nsc(NC(=O)c3cccc(Cl)c3)n2)nnn1-c1ccc(C)c(C)c1 ZINC000008603047 571090907 /nfs/dbraw/zinc/09/09/07/571090907.db2.gz PJMNODZVUYIDEZ-UHFFFAOYSA-N 0 0 424.917 4.617 50 0 aggregator HJAARN CCN(Cc1nc(-c2ccc(OC)cc2)oc1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000008608201 571093044 /nfs/dbraw/zinc/09/30/44/571093044.db2.gz WQYUQMZKUXIZLL-UHFFFAOYSA-N 0 0 420.918 4.523 50 0 HJAARN C[C@]1(C(=O)NC2CCCCC2)Cc2ccccc2C(=O)N1Cc1ccccc1Cl ZINC000008609982 571093955 /nfs/dbraw/zinc/09/39/55/571093955.db2.gz KTLJXSZSKKINRU-XMMPIXPASA-N 0 0 410.945 4.746 50 0 HJAARN COc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2F)CC1=O ZINC000008625809 571096768 /nfs/dbraw/zinc/09/67/68/571096768.db2.gz FZZQMHBNQBPUEM-SFHVURJKSA-N 0 0 415.468 4.753 50 0 HJAARN Cc1nc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(O)cc2)sc1C ZINC000008642526 571097762 /nfs/dbraw/zinc/09/77/62/571097762.db2.gz GYORGXFHFVLYJT-LJQANCHMSA-N 0 0 418.474 4.630 50 0 HJAARN O=c1c2oc3nc4c(cc3c2ncn1Cc1c(Cl)cccc1Cl)CCCC4 ZINC000008665000 571099993 /nfs/dbraw/zinc/09/99/93/571099993.db2.gz LZONFPLMNWSJIG-UHFFFAOYSA-N 0 0 400.265 4.772 50 0 HJAARN Nn1c(SCc2csc(-c3ccc(F)cc3)n2)nnc1-c1ccccc1Cl ZINC000008703862 571102505 /nfs/dbraw/zinc/10/25/05/571102505.db2.gz NVRTZJUPFYVSEJ-UHFFFAOYSA-N 0 0 417.922 4.867 50 0 HJAARN 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O=S(=O)(N[C@@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl)c1ccccc1 ZINC000000853676 557101977 /nfs/dbraw/zinc/10/19/77/557101977.db2.gz IAGKXBPVGZSOQX-HNNXBMFYSA-N 0 0 403.718 4.558 50 0 HJAARN Cn1c(=O)c2c(nc1SCC(=O)c1ccccc1)-c1ccccc1CC21CCCC1 ZINC000000857340 557103344 /nfs/dbraw/zinc/10/33/44/557103344.db2.gz UYCYKQWCXZVPSE-UHFFFAOYSA-N 0 0 416.546 4.790 50 0 HJAARN COc1ccc(C2(CNC(=O)c3ccc(OCC(C)C)cc3)CCCC2)cc1OC ZINC000000857352 557103382 /nfs/dbraw/zinc/10/33/82/557103382.db2.gz ULTIWHLWPCIARX-UHFFFAOYSA-N 0 0 411.542 4.980 50 0 biogenic HJAARN O=C(NCc1cccs1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2 ZINC000000865723 557105781 /nfs/dbraw/zinc/10/57/81/557105781.db2.gz SMUFMZHVCHKPHV-RISCZKNCSA-N 0 0 412.462 4.596 50 0 HJAARN COc1ccc(C(=O)NC(=S)Nc2cccc3ccccc32)cc1Br ZINC000000881912 557109977 /nfs/dbraw/zinc/10/99/77/557109977.db2.gz KAYWDIRXQFQCMC-UHFFFAOYSA-N 0 0 415.312 4.738 50 0 HJAARN COc1ccc([C@@H](CCN2C(=O)c3ccccc3C2=O)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000000892513 557112569 /nfs/dbraw/zinc/11/25/69/557112569.db2.gz CSELFABKMWUWRS-UYAOXDASSA-N 0 0 407.510 4.670 50 0 HJAARN Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccncc2)cc1 ZINC000000907626 557115684 /nfs/dbraw/zinc/11/56/84/557115684.db2.gz DHGPPTFELOSIBZ-UHFFFAOYSA-N 0 0 415.522 4.677 50 0 HJAARN Cc1ccc(O)c(NC(=O)CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c1 ZINC000000918002 557118179 /nfs/dbraw/zinc/11/81/79/557118179.db2.gz FBRYVVCLVKYXPC-UHFFFAOYSA-N 0 0 423.416 4.890 50 0 HJAARN CC(C)Oc1ccc(NC(=O)c2cc3cc(Br)ccc3oc2=O)cc1 ZINC000000951036 557123974 /nfs/dbraw/zinc/12/39/74/557123974.db2.gz RIUCHYGXJAQOBI-UHFFFAOYSA-N 0 0 402.244 4.595 50 0 HJAARN Cc1c(C(=O)Nc2ccccc2)sc2ncn(Cc3ccccc3Cl)c(=O)c12 ZINC000000955586 557126089 /nfs/dbraw/zinc/12/60/89/557126089.db2.gz OMUVKNVMJIWLEJ-UHFFFAOYSA-N 0 0 409.898 4.720 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)COc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000000955479 557126116 /nfs/dbraw/zinc/12/61/16/557126116.db2.gz SQFGDLSJKMWVDV-UHFFFAOYSA-N 0 0 400.906 4.728 50 0 HJAARN COc1ccc(C)cc1NC(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000000958128 557126638 /nfs/dbraw/zinc/12/66/38/557126638.db2.gz ADNZDIJZPUPWNU-UHFFFAOYSA-N 0 0 424.884 4.927 50 0 HJAARN O=C(Nc1ccc(Cc2ccc(NC(=O)c3cccnc3)cc2)cc1)c1cccnc1 ZINC000000972476 557127955 /nfs/dbraw/zinc/12/79/55/557127955.db2.gz HUGJATMBXUFGAM-UHFFFAOYSA-N 0 0 408.461 4.572 50 0 HJAARN Cc1c(NC(=S)NC(=O)COc2ccccc2)cccc1-c1nc2ccccc2o1 ZINC000000977637 557129587 /nfs/dbraw/zinc/12/95/87/557129587.db2.gz CDAWCOADUSBAKO-UHFFFAOYSA-N 0 0 417.490 4.695 50 0 HJAARN CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)[C@@H](CC)c2ccccc2)cc1 ZINC000000987050 557132736 /nfs/dbraw/zinc/13/27/36/557132736.db2.gz OGIQQSCEASIXHW-NRFANRHFSA-N 0 0 402.560 4.630 50 0 HJAARN O=C(CSc1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1)NC1CCCC1 ZINC000000987597 557133076 /nfs/dbraw/zinc/13/30/76/557133076.db2.gz VRXUFERDKQBCLY-UHFFFAOYSA-N 0 0 412.942 4.999 50 0 HJAARN Cc1ccsc1/C=C1/SC(=O)N(CC(=O)Nc2cccc3ccccc32)C1=O ZINC000000987416 557133154 /nfs/dbraw/zinc/13/31/54/557133154.db2.gz XHWHKSWCBKZUJR-WOJGMQOQSA-N 0 0 408.504 4.885 50 0 HJAARN COc1ccc(C(=O)COC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000000990472 557134276 /nfs/dbraw/zinc/13/42/76/557134276.db2.gz LLYBZVWTQOVZPL-UHFFFAOYSA-N 0 0 423.852 4.641 50 0 HJAARN CC(=O)Nc1ccc(N2C(=O)c3cccc(Oc4ccc(Cl)cc4)c3C2=O)cc1 ZINC000000991737 557135110 /nfs/dbraw/zinc/13/51/10/557135110.db2.gz WJLTWMWYJHAJSY-UHFFFAOYSA-N 0 0 406.825 4.891 50 0 HJAARN COc1cccc(C(=O)Nc2ccccc2C(=O)O[C@@H](C)C(=O)c2ccc(C)cc2)c1 ZINC000000992003 557135350 /nfs/dbraw/zinc/13/53/50/557135350.db2.gz PBXJRTZVQHFKOY-KRWDZBQOSA-N 0 0 417.461 4.684 50 0 HJAARN COc1ccc(/C=C2\N=C(c3cccs3)OC2=O)cc1OCc1ccccc1F ZINC000000997261 557138196 /nfs/dbraw/zinc/13/81/96/557138196.db2.gz JCEMTZYGONSJLU-BOPFTXTBSA-N 0 0 409.438 4.819 50 0 HJAARN COC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1cccnc1 ZINC000000998433 557139102 /nfs/dbraw/zinc/13/91/02/557139102.db2.gz DPURAQKPCCEKQN-UHFFFAOYSA-N 0 0 417.284 4.612 50 0 HJAARN CC(C)CNC(=O)c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl ZINC000001013675 557142573 /nfs/dbraw/zinc/14/25/73/557142573.db2.gz CFRAUZXLVPOKTF-UHFFFAOYSA-N 0 0 402.829 4.516 50 0 HJAARN S=C(c1cn(CCOc2ccc3c(c2)OCO3)c2ccccc12)N1CCCCC1 ZINC000001015239 557142795 /nfs/dbraw/zinc/14/27/95/557142795.db2.gz USTDAKFICUHUJD-UHFFFAOYSA-N 0 0 408.523 4.610 50 0 HJAARN O=c1c2ccccc2n(Cc2ccc(Cl)cc2)c(=O)n1Cc1ccc(Cl)cc1 ZINC000001035334 557150024 /nfs/dbraw/zinc/15/00/24/557150024.db2.gz FXDCWNHGMSHGDN-UHFFFAOYSA-N 0 0 411.288 4.567 50 0 HJAARN Cc1nnc(SCc2c(Cl)cccc2Cl)n1-c1ccc2c(c1)OCCO2 ZINC000001035891 557150514 /nfs/dbraw/zinc/15/05/14/557150514.db2.gz YAIKUQWYELMMIU-UHFFFAOYSA-N 0 0 408.310 4.946 50 0 HJAARN COC(=O)C1=C(Nc2ccc(OC(=O)c3cccc(C(F)(F)F)c3)cc2)CSC1 ZINC000001038312 557151753 /nfs/dbraw/zinc/15/17/53/557151753.db2.gz VTRISGLVZHJGMZ-UHFFFAOYSA-N 0 0 423.412 4.510 50 0 HJAARN O=C(Nc1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cc1)c1ccc(Cl)cc1 ZINC000001044990 557155834 /nfs/dbraw/zinc/15/58/34/557155834.db2.gz 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0 HJAARN Clc1cccc(Cn2c3ccccc3nc2Sc2nnnn2-c2ccccc2)c1 ZINC000020030716 558324472 /nfs/dbraw/zinc/32/44/72/558324472.db2.gz OOMCUPKLSJARPQ-UHFFFAOYSA-N 0 0 418.913 4.865 50 0 HJAARN C[C@@](O)(COc1ccccc1)c1ccc2c(c1)CN(Cc1ccc(F)cc1)CCO2 ZINC000012130685 558332563 /nfs/dbraw/zinc/33/25/63/558332563.db2.gz VCQJLZYLYNSMSV-RUZDIDTESA-N 0 0 407.485 4.507 50 0 HJAARN CN(C(=O)c1ccccc1NC(=O)COc1ccccc1Cl)C1CCCCC1 ZINC000012137123 558334218 /nfs/dbraw/zinc/33/42/18/558334218.db2.gz QTZSCFQYXADPHU-UHFFFAOYSA-N 0 0 400.906 4.762 50 0 HJAARN CSc1ccc(NC(=O)N2CCC(CO)(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000020110117 558335164 /nfs/dbraw/zinc/33/51/64/558335164.db2.gz QHTHEWGWMYYJKT-UHFFFAOYSA-N 0 0 404.963 4.911 50 0 HJAARN O=C(c1cc(-c2ccc(Cl)c(Cl)c2)on1)N1CCN(Cc2ccccc2)CC1 ZINC000020137653 558337970 /nfs/dbraw/zinc/33/79/70/558337970.db2.gz PUJWMCTWQOSSBC-UHFFFAOYSA-N 0 0 416.308 4.606 50 0 HJAARN COc1ccc(CCNc2ncnc3sc(C(=O)N4CCCC[C@@H]4C)c(C)c32)cc1 ZINC000012149556 558338645 /nfs/dbraw/zinc/33/86/45/558338645.db2.gz ARHGKYHBFSOVDB-HNNXBMFYSA-N 0 0 424.570 4.678 50 0 HJAARN Cc1csc(SCC(=O)N2CCC[C@@H](c3n[nH]cc3-c3ccccc3C)C2)n1 ZINC000012151520 558339039 /nfs/dbraw/zinc/33/90/39/558339039.db2.gz ZKCHFRSVLCQWLM-MRXNPFEDSA-N 0 0 412.584 4.648 50 0 HJAARN O=C(NC[C@H]1Cc2c(c(-c3ccc(C(=O)C4CC4)cc3)ccc2F)O1)[C@@H]1CC=CCC1 ZINC000012157693 558340790 /nfs/dbraw/zinc/34/07/90/558340790.db2.gz SUFTZHZIBUTIEY-WOJBJXKFSA-N 0 0 419.496 4.861 50 0 HJAARN CCCCCn1c2ccccc2n(C[C@@H](O)COc2ccc(Cl)cc2Cl)c1=N ZINC000020292127 558354178 /nfs/dbraw/zinc/35/41/78/558354178.db2.gz OKHXCSNDBMDGFZ-MRXNPFEDSA-N 0 0 422.356 4.859 50 0 HJAARN Cc1ccc(OCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c1 ZINC000020347229 558356473 /nfs/dbraw/zinc/35/64/73/558356473.db2.gz XPDXMJRDKQVCLX-UHFFFAOYSA-N 0 0 414.549 4.616 50 0 HJAARN Cc1cccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c1 ZINC000020408326 558360602 /nfs/dbraw/zinc/36/06/02/558360602.db2.gz QPDPYKLLPVJLSA-UHFFFAOYSA-N 0 0 423.563 4.555 50 0 HJAARN CCCc1cc(=O)oc2c1cc(Cl)c1c2CN(CCc2ccc(OC)cc2)CO1 ZINC000020411932 558360625 /nfs/dbraw/zinc/36/06/25/558360625.db2.gz FHWUVWPXUNQJOX-UHFFFAOYSA-N 0 0 413.901 4.802 50 0 HJAARN CCCc1cc(=O)oc2c1cc(Cl)c1c2CN(CCc2ccccc2F)CO1 ZINC000020412279 558360853 /nfs/dbraw/zinc/36/08/53/558360853.db2.gz IGUITDHUTJZGRP-UHFFFAOYSA-N 0 0 401.865 4.933 50 0 HJAARN CCCN1CCc2c(sc3ncn4nc(-c5ccc6ccccc6c5O)nc4c23)C1 ZINC000020437374 558363180 /nfs/dbraw/zinc/36/31/80/558363180.db2.gz UXIIAJSWLOKLJX-UHFFFAOYSA-N 0 0 415.522 4.633 50 0 HJAARN O=C(c1cn(C(c2ccccc2)c2ccccc2)nn1)N(Cc1ccccc1)CC1CC1 ZINC000012298246 558368189 /nfs/dbraw/zinc/36/81/89/558368189.db2.gz TXPFLGMASQHGJE-UHFFFAOYSA-N 0 0 422.532 4.968 50 0 HJAARN O=S(=O)(c1ccc(NC(=S)Nc2ccccc2)cc1)N1CCCc2ccccc21 ZINC000020523368 558383975 /nfs/dbraw/zinc/38/39/75/558383975.db2.gz RSALMAHTDRFUOA-UHFFFAOYSA-N 0 0 423.563 4.637 50 0 HJAARN CCOc1ccccc1-n1c2nc(C3CC3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020603895 558386313 /nfs/dbraw/zinc/38/63/13/558386313.db2.gz RUNXBNOKYHVUEA-UHFFFAOYSA-N 0 0 407.417 4.738 50 0 HJAARN CCn1c2nc(-c3ccc(Br)cc3)cc(C(F)F)c2c(=O)[nH]c1=S ZINC000020605654 558387764 /nfs/dbraw/zinc/38/77/64/558387764.db2.gz HEOTYABHTUQVKN-UHFFFAOYSA-N 0 0 412.259 4.841 50 0 HJAARN O=C(NC[C@@H]1CCCN(C(=O)C2=CCCCC2)C1)c1ccc(-c2ccccc2)cc1 ZINC000012372959 558390312 /nfs/dbraw/zinc/39/03/12/558390312.db2.gz VOFNADSOCRLGPV-FQEVSTJZSA-N 0 0 402.538 4.822 50 0 HJAARN Cc1cc(C)n(C[C@H](C)NC(=O)c2ccc3oc(Cc4ccc(Cl)cc4)nc3c2)n1 ZINC000012373341 558390859 /nfs/dbraw/zinc/39/08/59/558390859.db2.gz BJJADISDWPVHAF-HNNXBMFYSA-N 0 0 422.916 4.704 50 0 HJAARN Cc1ccn(C[C@@H](C)NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)n1 ZINC000020615769 558392731 /nfs/dbraw/zinc/39/27/31/558392731.db2.gz GXDOUVUUWTYWJH-GOSISDBHSA-N 0 0 400.526 4.630 50 0 HJAARN CC[C@H](C(=O)Nc1ccc(F)cc1C)n1ccc(C(=O)Nc2ccc(F)cc2C)n1 ZINC000020617413 558393659 /nfs/dbraw/zinc/39/36/59/558393659.db2.gz FTUOUDVLLVJCEE-HXUWFJFHSA-N 0 0 412.440 4.620 50 0 HJAARN CC(C)C[C@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1nnc2ccccn21 ZINC000020714904 558400873 /nfs/dbraw/zinc/40/08/73/558400873.db2.gz QSSPBEZQVNXTNC-IBGZPJMESA-N 0 0 412.493 4.871 50 0 HJAARN O=C(Nc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1)c1cccc(F)c1 ZINC000020716179 558401397 /nfs/dbraw/zinc/40/13/97/558401397.db2.gz MRXGQYPALAHJBK-UHFFFAOYSA-N 0 0 400.457 4.838 50 0 HJAARN O=C(Nc1ccncc1)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000020721972 558403153 /nfs/dbraw/zinc/40/31/53/558403153.db2.gz OEAHHJZRXFGGEM-QHCPKHFHSA-N 0 0 411.505 4.773 50 0 HJAARN O=C1C[C@@H](c2ccc(F)cc2)c2scc(S(=O)(=O)c3ccc(Cl)cc3)c2N1 ZINC000012429148 558404205 /nfs/dbraw/zinc/40/42/05/558404205.db2.gz ZWFZANOZPLGGOS-HNNXBMFYSA-N 0 0 421.902 4.848 50 0 HJAARN COc1cc(NC(=O)c2ccc3nc(C(F)(F)F)sc3c2)cc(OC)c1OC ZINC000020730433 558406320 /nfs/dbraw/zinc/40/63/20/558406320.db2.gz JMAZUSDMNCWFEX-UHFFFAOYSA-N 0 0 412.389 4.593 50 0 HJAARN CCn1ccnc1CN1CCC[C@@H](CCC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000012441557 558412082 /nfs/dbraw/zinc/41/20/82/558412082.db2.gz SLZNWFXGFVJSAX-INIZCTEOSA-N 0 0 408.468 4.553 50 0 HJAARN O=C(c1cc(COc2cccc3cccnc32)on1)N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000012442502 558412665 /nfs/dbraw/zinc/41/26/65/558412665.db2.gz PEIZAAMILAWLRH-GOSISDBHSA-N 0 0 417.440 4.571 50 0 HJAARN Cc1nn(-c2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)c(=O)c2ccccc12 ZINC000012444841 558413471 /nfs/dbraw/zinc/41/34/71/558413471.db2.gz CNBFCCFPYBABEH-XNTDXEJSSA-N 0 0 415.880 4.999 50 0 HJAARN Cc1c(C(=O)NCc2cccc(Cl)c2)sc2ncnc(NCc3ccco3)c12 ZINC000012452979 558416329 /nfs/dbraw/zinc/41/63/29/558416329.db2.gz KANGFOAIOUKCJB-UHFFFAOYSA-N 0 0 412.902 4.788 50 0 HJAARN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1c[nH]c2ccccc12 ZINC000020827369 558417129 /nfs/dbraw/zinc/41/71/29/558417129.db2.gz WOAWVAOPRNGUKH-UHFFFAOYSA-N 0 0 409.533 4.758 50 0 HJAARN Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000020939546 558424626 /nfs/dbraw/zinc/42/46/26/558424626.db2.gz PEIOICRSNZAJBB-UHFFFAOYSA-N 0 0 424.570 4.859 50 0 HJAARN Cc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 ZINC000004341644 558425159 /nfs/dbraw/zinc/42/51/59/558425159.db2.gz LWULHXYXGNWAET-UHFFFAOYSA-N 0 0 409.902 4.508 50 0 HJAARN O=C(Oc1ccc2c(c1)oc(=O)cc2-c1cc2cc(Cl)ccc2oc1=O)C1CC1 ZINC000004339967 558426453 /nfs/dbraw/zinc/42/64/53/558426453.db2.gz UFIOUUNSHJYGTN-UHFFFAOYSA-N 0 0 408.793 4.535 50 0 biogenic HJAARN COc1cccc(NC(=O)Nc2ccc(Nc3nc(C)cc(N4CCCC4)n3)cc2)c1 ZINC000021114464 558431086 /nfs/dbraw/zinc/43/10/86/558431086.db2.gz MFOHYKMXVDXTDZ-UHFFFAOYSA-N 0 0 418.501 4.781 50 0 HJAARN O=C(Cc1ccccc1)Nc1ccccc1C(=O)OCC(=O)c1ccc(Cl)s1 ZINC000021235513 558434183 /nfs/dbraw/zinc/43/41/83/558434183.db2.gz MRROJPNDRDZAOY-UHFFFAOYSA-N 0 0 413.882 4.622 50 0 HJAARN O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CCC(=O)N(C2CCCC2)C1 ZINC000012593793 558436664 /nfs/dbraw/zinc/43/66/64/558436664.db2.gz FMDZTPIETIXVKZ-QFIPXVFZSA-N 0 0 404.554 4.506 50 0 HJAARN Cc1cccc(C)c1OCc1cc(C(=O)N2CCC(Oc3ccccc3F)CC2)no1 ZINC000012596335 558438028 /nfs/dbraw/zinc/43/80/28/558438028.db2.gz HAEYLAAXPQDUQO-UHFFFAOYSA-N 0 0 424.472 4.693 50 0 HJAARN Cc1nc(COc2ccccc2C(=O)Nc2ccc(-c3csc(C)n3)cc2)no1 ZINC000021471740 558438989 /nfs/dbraw/zinc/43/89/89/558438989.db2.gz PEDWIZSHILSXPZ-UHFFFAOYSA-N 0 0 406.467 4.641 50 0 HJAARN CSCC[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1ccccc1 ZINC000012616089 558439260 /nfs/dbraw/zinc/43/92/60/558439260.db2.gz KLXSKEYXOCVRNC-LJQANCHMSA-N 0 0 405.523 4.902 50 0 HJAARN O=C(NCc1nnc(SCc2cccc3ccccc32)o1)c1c(F)cccc1F ZINC000004354418 558440070 /nfs/dbraw/zinc/44/00/70/558440070.db2.gz PZYDLORRTLBLHJ-UHFFFAOYSA-N 0 0 411.433 4.723 50 0 HJAARN Nc1nc2n(n1)[C@H](c1c(F)cccc1Cl)C[C@H](c1ccc(Br)cc1)N2 ZINC000012629786 558441366 /nfs/dbraw/zinc/44/13/66/558441366.db2.gz JUPSJZLFMGUQSX-KGLIPLIRSA-N 0 0 422.689 4.562 50 0 HJAARN Nc1nc2n(n1)[C@H](c1cccc3ccccc31)C[C@H](c1ccc(Br)cc1)N2 ZINC000012630313 558441603 /nfs/dbraw/zinc/44/16/03/558441603.db2.gz YMMNVLNFTFHQPV-MOPGFXCFSA-N 0 0 420.314 4.922 50 0 HJAARN CCOC(=O)[C@H](C)Sc1nnc(-c2ccco2)n1-c1ccc(Cl)c(Cl)c1 ZINC000004354973 558442352 /nfs/dbraw/zinc/44/23/52/558442352.db2.gz AGVYWDBLBMWWDG-JTQLQIEISA-N 0 0 412.298 4.878 50 0 HJAARN CCN(CC)C(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccc(C)cc1 ZINC000004356253 558443743 /nfs/dbraw/zinc/44/37/43/558443743.db2.gz CQDIUNHHFOYZKS-UHFFFAOYSA-N 0 0 414.962 4.857 50 0 HJAARN Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)N2CCCC2)o1 ZINC000021659802 558444873 /nfs/dbraw/zinc/44/48/73/558444873.db2.gz AEJFEBYBHIQQJV-JOCHJYFZSA-N 0 0 419.525 4.689 50 0 HJAARN Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)N2CCCC2)o1 ZINC000021659804 558444941 /nfs/dbraw/zinc/44/49/41/558444941.db2.gz AEJFEBYBHIQQJV-QFIPXVFZSA-N 0 0 419.525 4.689 50 0 HJAARN CCCOc1ccc(C(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)cc1OCC ZINC000021708826 558446389 /nfs/dbraw/zinc/44/63/89/558446389.db2.gz HFYCDBVZMIKVFM-FQEVSTJZSA-N 0 0 413.514 4.869 50 0 HJAARN CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccccc3C(F)(F)F)n2)cc1 ZINC000021771108 558448203 /nfs/dbraw/zinc/44/82/03/558448203.db2.gz NBGKUVUJLAUHJR-UHFFFAOYSA-N 0 0 419.428 4.717 50 0 HJAARN COc1ccc(OCCCCn2c3ccccc3nc2[C@H]2CCCN2C(C)=O)cc1 ZINC000021787523 558448653 /nfs/dbraw/zinc/44/86/53/558448653.db2.gz MKMSFUBTOQOMDH-HSZRJFAPSA-N 0 0 407.514 4.588 50 0 HJAARN COc1ccc(-c2nn(-c3ccccc3)cc2CN(C)[C@H](C)c2ccon2)c(F)c1 ZINC000012704009 558449034 /nfs/dbraw/zinc/44/90/34/558449034.db2.gz WXTZBKXYMZULAJ-MRXNPFEDSA-N 0 0 406.461 4.868 50 0 HJAARN CC(C)CC(=O)Nc1ccnn1C1CCN(C(=O)c2ccc(CC(C)C)cc2)CC1 ZINC000012714548 558454328 /nfs/dbraw/zinc/45/43/28/558454328.db2.gz JSERVLIENLXVFH-UHFFFAOYSA-N 0 0 410.562 4.544 50 0 HJAARN Cc1noc(C)c1CC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1F ZINC000012718339 558455900 /nfs/dbraw/zinc/45/59/00/558455900.db2.gz DDIJTPITXWMXPV-DEOSSOPVSA-N 0 0 403.457 4.629 50 0 HJAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3occc3C)C2)cc1Cl ZINC000012751794 558459075 /nfs/dbraw/zinc/45/90/75/558459075.db2.gz FNGUWTFDLXUVNP-OAHLLOKOSA-N 0 0 404.894 4.521 50 0 HJAARN CC(C)(C)c1ccc(-c2csc(NC(=O)c3n[nH]c(=O)c4ccccc43)n2)cc1 ZINC000022065062 558461170 /nfs/dbraw/zinc/46/11/70/558461170.db2.gz UBOSURPNHYRXMK-UHFFFAOYSA-N 0 0 404.495 4.596 50 0 HJAARN CCOc1ccc(CCC2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)cc1 ZINC000022131066 558463979 /nfs/dbraw/zinc/46/39/79/558463979.db2.gz YEUSYKXXQSYVOO-UHFFFAOYSA-N 0 0 420.553 4.697 50 0 HJAARN CCCCCN(Cc1ccc(F)cc1)CN1C(=O)NC2(C1=O)[C@@H](C)CCC[C@@H]2C ZINC000012789132 558464469 /nfs/dbraw/zinc/46/44/69/558464469.db2.gz DNTUVPFPJQMNAZ-ROUUACIJSA-N 0 0 403.542 4.522 50 0 HJAARN C[C@H](C(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1)n1c(=O)oc2ccccc21 ZINC000022232322 558469781 /nfs/dbraw/zinc/46/97/81/558469781.db2.gz HJTSCSDGQHCWDW-CQSZACIVSA-N 0 0 410.857 4.728 50 0 HJAARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CNC(=O)c1ccc(Cl)cc1Cl ZINC000012797444 558470073 /nfs/dbraw/zinc/47/00/73/558470073.db2.gz VOOYFMDVNWRGCE-NSHDSACASA-N 0 0 422.337 4.553 50 0 HJAARN Cn1ccnc1C(=O)c1ccc(NC(=O)CCc2ccc(-c3ccccc3F)o2)cc1 ZINC000012798436 558470454 /nfs/dbraw/zinc/47/04/54/558470454.db2.gz JWBSIIYQHAXWDM-UHFFFAOYSA-N 0 0 417.440 4.622 50 0 HJAARN O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000012798399 558470490 /nfs/dbraw/zinc/47/04/90/558470490.db2.gz WIADKBODMBAOFZ-REWPJTCUSA-N 0 0 400.526 4.788 50 0 HJAARN Clc1ccc(OCc2nc(CSc3nnnn3-c3ccccc3)cs2)cc1 ZINC000012805713 558473477 /nfs/dbraw/zinc/47/34/77/558473477.db2.gz NZWUJWZNTKWRFI-UHFFFAOYSA-N 0 0 415.931 4.644 50 0 HJAARN Cc1cccc(C)c1OCC(=O)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 ZINC000012805674 558473499 /nfs/dbraw/zinc/47/34/99/558473499.db2.gz VDQGZXJZZWEOPG-UHFFFAOYSA-N 0 0 403.404 4.585 50 0 HJAARN COCc1cccc(C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)c1 ZINC000012814576 558475082 /nfs/dbraw/zinc/47/50/82/558475082.db2.gz KXSNCMQFUWCJTI-UHFFFAOYSA-N 0 0 411.505 4.675 50 0 HJAARN COc1ccc(CCC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 ZINC000004375312 558475895 /nfs/dbraw/zinc/47/58/95/558475895.db2.gz VUAZAGOXLZWJJZ-UHFFFAOYSA-N 0 0 400.931 4.764 50 0 HJAARN CCCOc1ccc2ccccc2c1CN(C)C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000022291493 558476737 /nfs/dbraw/zinc/47/67/37/558476737.db2.gz WOCUVPSCIGWVAR-HXUWFJFHSA-N 0 0 420.484 4.852 50 0 HJAARN O=C(CCc1ncc(-c2ccccc2F)o1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000022326392 558478338 /nfs/dbraw/zinc/47/83/38/558478338.db2.gz BUAIARWWGYEFBO-IBGZPJMESA-N 0 0 422.456 4.548 50 0 HJAARN CC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2CC(C)C)c1 ZINC000012851148 558479129 /nfs/dbraw/zinc/47/91/29/558479129.db2.gz ZJLFZNCKHCUHRV-UHFFFAOYSA-N 0 0 422.554 4.843 50 0 HJAARN CC1(C)Cc2nc3sc4c(ncn(Cc5ccc(Cl)cc5)c4=O)c3cc2CO1 ZINC000004384677 558482306 /nfs/dbraw/zinc/48/23/06/558482306.db2.gz GHUOUUKICIMNEK-UHFFFAOYSA-N 0 0 411.914 4.559 50 0 HJAARN CN(Cc1cccc(Cl)c1)C(=O)Cc1csc(COc2ccc(F)cc2)n1 ZINC000022376670 558484314 /nfs/dbraw/zinc/48/43/14/558484314.db2.gz DNCAPTRRIMNAHW-UHFFFAOYSA-N 0 0 404.894 4.716 50 0 HJAARN O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1 ZINC000022389851 558485965 /nfs/dbraw/zinc/48/59/65/558485965.db2.gz NDXGHTRTSKHWDL-UHFFFAOYSA-N 0 0 401.470 4.578 50 0 HJAARN O=C(NCCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1)c1ccco1 ZINC000004386809 558487490 /nfs/dbraw/zinc/48/74/90/558487490.db2.gz BZEGZXICJMHLHH-UHFFFAOYSA-N 0 0 414.292 4.957 50 0 HJAARN C[C@@H](Oc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000012978135 558492416 /nfs/dbraw/zinc/49/24/16/558492416.db2.gz LTNXYFPLSMNSHK-GOSISDBHSA-N 0 0 400.478 4.886 50 0 HJAARN Cc1c2ccccc2[nH]c(=O)c1Sc1ccccc1C(=O)OCC(=O)C(C)(C)C ZINC000012978224 558492537 /nfs/dbraw/zinc/49/25/37/558492537.db2.gz OHAOJDWSYARMIZ-UHFFFAOYSA-N 0 0 409.507 4.760 50 0 HJAARN O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012979500 558492903 /nfs/dbraw/zinc/49/29/03/558492903.db2.gz AALRZYSUYLDMKT-NAVXVDNBSA-N 0 0 420.475 4.851 50 0 HJAARN O=C(CN[C@H](c1cccs1)c1ccc(F)cc1)Nc1cccc(Br)c1 ZINC000012981727 558493581 /nfs/dbraw/zinc/49/35/81/558493581.db2.gz AEEOFCFTJDDJHX-IBGZPJMESA-N 0 0 419.319 4.967 50 0 HJAARN COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1ccccc1C)CC2 ZINC000012986918 558495657 /nfs/dbraw/zinc/49/56/57/558495657.db2.gz RRNDQAPYIKXULU-XMMPIXPASA-N 0 0 422.550 4.660 50 0 HJAARN O=C(Cc1nc(COC(=O)c2cc3ccccc3s2)cs1)NCc1ccccc1 ZINC000022526411 558495801 /nfs/dbraw/zinc/49/58/01/558495801.db2.gz XXCYCWLCPCOOMR-UHFFFAOYSA-N 0 0 422.531 4.574 50 0 HJAARN CCOc1ccc([C@H]2CCCN2Cn2nc(-c3ccccc3F)n(C)c2=S)cc1 ZINC000012990403 558496558 /nfs/dbraw/zinc/49/65/58/558496558.db2.gz QSDSMEFWVLWQIG-HXUWFJFHSA-N 0 0 412.534 4.950 50 0 HJAARN O=C(Cc1nc(COc2cc(Cl)cc(Cl)c2)cs1)NCc1ccccc1 ZINC000013009367 558502733 /nfs/dbraw/zinc/50/27/33/558502733.db2.gz OFEFBFQUXWUJOX-UHFFFAOYSA-N 0 0 407.322 4.888 50 0 HJAARN O=C(Cn1cnc2ccc(Cl)cc2c1=O)Nc1ccccc1Sc1ccccc1 ZINC000013015452 558503958 /nfs/dbraw/zinc/50/39/58/558503958.db2.gz BYSHEMXOZAZCBK-UHFFFAOYSA-N 0 0 421.909 4.840 50 0 HJAARN Cc1cc(-c2csc(NC(=O)c3ccc(F)cc3F)n2)c(C)n1C[C@H]1CCCO1 ZINC000013041446 558507539 /nfs/dbraw/zinc/50/75/39/558507539.db2.gz CMEBMQWLJWJZHV-OAHLLOKOSA-N 0 0 417.481 4.938 50 0 HJAARN CN(CC(=O)Nc1ccccc1Cl)CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000013096114 558512856 /nfs/dbraw/zinc/51/28/56/558512856.db2.gz QRSRQSVWSJFLAT-UHFFFAOYSA-N 0 0 413.949 4.576 50 0 HJAARN COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cccc(Cl)c3)o2)cc1OC ZINC000013109462 558515081 /nfs/dbraw/zinc/51/50/81/558515081.db2.gz PSYIOMKPGBIKRM-NSHDSACASA-N 0 0 419.890 4.527 50 0 HJAARN COc1ccc(SCC(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)cc1 ZINC000010869177 558515759 /nfs/dbraw/zinc/51/57/59/558515759.db2.gz DEQUEJINLXNXIR-MRXNPFEDSA-N 0 0 414.552 4.609 50 0 HJAARN O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)C1=NN(c2ccccc2)C(=O)CC1 ZINC000013114906 558516060 /nfs/dbraw/zinc/51/60/60/558516060.db2.gz AYRSSRABPLDXCW-UHFFFAOYSA-N 0 0 424.913 4.509 50 0 HJAARN Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CC(=O)Nc4ccccc43)s2)cc1Cl ZINC000022867075 558517839 /nfs/dbraw/zinc/51/78/39/558517839.db2.gz JYRQYDKJYOQRRF-MRXNPFEDSA-N 0 0 411.914 4.760 50 0 HJAARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1nc(-c2cccs2)oc1C ZINC000022910796 558519673 /nfs/dbraw/zinc/51/96/73/558519673.db2.gz IHZHNSYMVKTTDP-UHFFFAOYSA-N 0 0 423.460 4.980 50 0 HJAARN Cc1cc(C)c2oc3c(c(=O)c2c1)[C@H](c1ccc(F)cc1)N(Cc1cccnc1)C3=O ZINC000013207162 558525472 /nfs/dbraw/zinc/52/54/72/558525472.db2.gz UGBGPGPTYQKPCA-NRFANRHFSA-N 0 0 414.436 4.689 50 0 HJAARN Clc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=N3)cc1 ZINC000013212976 558525956 /nfs/dbraw/zinc/52/59/56/558525956.db2.gz RFOPSMHGICGNHZ-FCHUYYIVSA-N 0 0 413.868 4.539 50 0 HJAARN Cc1cc(C)c2oc3c(c(=O)c2c1)[C@@H](c1ccccc1F)N(Cc1cccnc1)C3=O ZINC000013217740 558526212 /nfs/dbraw/zinc/52/62/12/558526212.db2.gz FIHNCQPUURIXNW-OAQYLSRUSA-N 0 0 414.436 4.689 50 0 HJAARN O=C(Cn1c2ccccc2nc1SC(F)F)Nc1ccccc1N1CCCC1 ZINC000022987627 558529223 /nfs/dbraw/zinc/52/92/23/558529223.db2.gz GPUIZRQMVCKJHW-UHFFFAOYSA-N 0 0 402.470 4.590 50 0 HJAARN COc1cc(C(=O)NCc2coc(-c3cccs3)n2)cc(Cl)c1OC(C)C ZINC000010872943 558531032 /nfs/dbraw/zinc/53/10/32/558531032.db2.gz OYAICKKISUMOQJ-UHFFFAOYSA-N 0 0 406.891 4.782 50 0 HJAARN C[C@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000023030141 558531036 /nfs/dbraw/zinc/53/10/36/558531036.db2.gz RXXCNHGNPLFONF-IAVIKHRSSA-N 0 0 409.574 4.652 50 0 HJAARN CC(C)Cc1noc(CSc2nc3ccccc3c(=O)n2[C@@H](C)c2ccccc2)n1 ZINC000023043505 558531639 /nfs/dbraw/zinc/53/16/39/558531639.db2.gz WEMPLEXXOPQEJP-INIZCTEOSA-N 0 0 420.538 4.880 50 0 HJAARN CC(C)N(C(=O)Cn1cnc2sccc2c1=O)c1ccc(Nc2ccccc2)cc1 ZINC000023064828 558532855 /nfs/dbraw/zinc/53/28/55/558532855.db2.gz BAMYLCZHQHJLLW-UHFFFAOYSA-N 0 0 418.522 4.643 50 0 HJAARN O=[S@](CCSc1nccc(C(F)(F)F)n1)c1cc(Cl)ccc1Cl ZINC000095360786 558533029 /nfs/dbraw/zinc/53/30/29/558533029.db2.gz YRNFBHHYZACNED-QHCPKHFHSA-N 0 0 401.262 4.702 50 0 HJAARN CCc1nc(CSc2nnc(N3CCCC3)n2-c2cccc(Cl)c2)cs1 ZINC000023074421 558533044 /nfs/dbraw/zinc/53/30/44/558533044.db2.gz MHWMVHLABSPTRV-UHFFFAOYSA-N 0 0 405.980 4.832 50 0 HJAARN CCCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2c4ccccc4C3c3ccccc32)cc1 ZINC000013477690 558534226 /nfs/dbraw/zinc/53/42/26/558534226.db2.gz AHRKKPZTYTVPKS-XIGIHCPSSA-N 0 0 409.485 4.872 50 0 HJAARN CCc1ccccc1NC(=O)CSc1nccn2nc(-c3ccc(C)cc3)cc12 ZINC000023119229 558535247 /nfs/dbraw/zinc/53/52/47/558535247.db2.gz XATRFVOBAFANGH-UHFFFAOYSA-N 0 0 402.523 4.998 50 0 HJAARN Cc1cc(C)c(NC(=O)Cn2cnc3c(-c4ccccc4)csc3c2=O)c(C)c1 ZINC000023126458 558535994 /nfs/dbraw/zinc/53/59/94/558535994.db2.gz RBYQKXFCYZDOML-UHFFFAOYSA-N 0 0 403.507 4.689 50 0 HJAARN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cc(=O)[nH]c2ccccc21 ZINC000013513926 558536120 /nfs/dbraw/zinc/53/61/20/558536120.db2.gz MMOSPRZIQMTBGN-HSZRJFAPSA-N 0 0 417.848 4.963 50 0 HJAARN O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCCCCOc1ccc(F)cc1 ZINC000023133774 558537290 /nfs/dbraw/zinc/53/72/90/558537290.db2.gz JHOXASCLIZZYJO-UHFFFAOYSA-N 0 0 400.425 4.528 50 0 HJAARN CC(C)[C@H](NC(=O)N[C@@H]1CCCc2ccccc21)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000013548454 558538503 /nfs/dbraw/zinc/53/85/03/558538503.db2.gz BZZNNEANKNPIGA-SMIHKQSGSA-N 0 0 419.569 4.582 50 0 HJAARN O=C(Nc1ccc(C(F)(F)F)cc1Cl)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 ZINC000013551763 558539222 /nfs/dbraw/zinc/53/92/22/558539222.db2.gz BNSWUAICNHZPIT-WMLDXEAASA-N 0 0 412.820 4.567 50 0 HJAARN Cc1noc(C)c1CSc1ncccc1C(=O)Nc1cccc(Br)c1 ZINC000023177457 558540630 /nfs/dbraw/zinc/54/06/30/558540630.db2.gz SRZZTXHYGQLZTM-UHFFFAOYSA-N 0 0 418.316 4.994 50 0 HJAARN Cc1cc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@H]2c2cccc(F)c2)no1 ZINC000013571661 558542443 /nfs/dbraw/zinc/54/24/43/558542443.db2.gz XNFYZBWZVKLQQY-LJQANCHMSA-N 0 0 424.815 4.940 50 0 HJAARN CN1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000013591752 558546116 /nfs/dbraw/zinc/54/61/16/558546116.db2.gz OTUKDDLHXSNQFC-NIJIEXERSA-N 0 0 422.937 4.777 50 0 HJAARN CC(C)(C)C1=C[C@](O)(C(F)(F)F)N(c2nc(-c3ccco3)cc(C(F)(F)F)n2)N1 ZINC000013643051 558555933 /nfs/dbraw/zinc/55/59/33/558555933.db2.gz RCXJDTCIBICGSR-HNNXBMFYSA-N 0 0 422.329 4.619 50 0 HJAARN O=C(CCc1cccnc1)N1CCC[C@H](C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000023506544 558560427 /nfs/dbraw/zinc/56/04/27/558560427.db2.gz YWYHCLMGKYNKRD-QFIPXVFZSA-N 0 0 414.505 4.928 50 0 HJAARN Cc1ccc(Oc2ccc(Cl)cc2NC(=O)COC(=O)c2ccc(C)nc2)cc1 ZINC000023519382 558560705 /nfs/dbraw/zinc/56/07/05/558560705.db2.gz IWFYTDLYJROXDM-UHFFFAOYSA-N 0 0 410.857 4.940 50 0 HJAARN Cc1nc(NC(=O)CSc2nnc(-c3cccc(F)c3)n2CC(C)C)sc1C ZINC000072191718 558562831 /nfs/dbraw/zinc/56/28/31/558562831.db2.gz YTFGOYULOVUVEW-UHFFFAOYSA-N 0 0 419.551 4.544 50 0 HJAARN COc1ccc([C@@H](CNC(=O)c2cccc(OC)c2)c2c[nH]c3ccccc32)cc1 ZINC000023573165 558562850 /nfs/dbraw/zinc/56/28/50/558562850.db2.gz AJVSQVXQCTVFFY-JOCHJYFZSA-N 0 0 400.478 4.747 50 0 biogenic HJAARN Brc1cncc(-c2nnc3sc(-c4cccc5ccccc54)nn32)c1 ZINC000013685901 558569739 /nfs/dbraw/zinc/56/97/39/558569739.db2.gz PGANWPFFZQIHPS-UHFFFAOYSA-N 0 0 408.284 4.831 50 0 HJAARN FC(F)(F)c1cccc(NC(=S)NNC(=S)Nc2ccc(Cl)cc2)c1 ZINC000013687221 558570091 /nfs/dbraw/zinc/57/00/91/558570091.db2.gz PCANZGZAFVCTCR-UHFFFAOYSA-N 0 0 404.870 4.547 50 0 HJAARN COc1ccc(CN(C)C(=O)c2cc(-c3ccncc3)nc3ccccc32)cc1F ZINC000023734639 558571865 /nfs/dbraw/zinc/57/18/65/558571865.db2.gz RPFAONCAYOHXHD-UHFFFAOYSA-N 0 0 401.441 4.717 50 0 HJAARN O=c1n2nc(-c3ccccc3)nc2c2c3c(sc2n1CCc1ccccc1)CCC3 ZINC000013734364 558588000 /nfs/dbraw/zinc/58/80/00/558588000.db2.gz DALKFACTBKQZOA-UHFFFAOYSA-N 0 0 412.518 4.504 50 0 HJAARN C[C@@H](Sc1nnc(C2CCCCC2)o1)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000024110620 558589617 /nfs/dbraw/zinc/58/96/17/558589617.db2.gz UTELWMHAVAOPKD-CQSZACIVSA-N 0 0 423.966 4.789 50 0 HJAARN CN(Cc1ccccc1N1CCOCC1)C(=O)Cc1coc2ccc3ccccc3c12 ZINC000024191384 558591462 /nfs/dbraw/zinc/59/14/62/558591462.db2.gz CBBAJMSNCUKKQV-UHFFFAOYSA-N 0 0 414.505 4.624 50 0 HJAARN COc1ccccc1CN(Cc1cccs1)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000024219142 558592616 /nfs/dbraw/zinc/59/26/16/558592616.db2.gz IQQUWXNCAWJKDB-OAQYLSRUSA-N 0 0 413.926 4.943 50 0 HJAARN COc1ccccc1N(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)C1CCCCC1 ZINC000013778201 558592866 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558763741 /nfs/dbraw/zinc/76/37/41/558763741.db2.gz KBXJSYMBXNHPTD-UHFFFAOYSA-N 0 0 423.513 4.636 50 0 HJAARN Cc1cc(S(=O)(=O)NCCOC23CC4CC(CC(C4)C2)C3)c(Cl)cc1Cl ZINC000004580661 558766689 /nfs/dbraw/zinc/76/66/89/558766689.db2.gz VYWXHISRWBKJCC-UHFFFAOYSA-N 0 0 418.386 4.566 50 0 HJAARN Cc1csc(C2(NS(=O)(=O)c3ccc(OC(C)C)c4ccccc43)CCC2)n1 ZINC000072307423 558767429 /nfs/dbraw/zinc/76/74/29/558767429.db2.gz LTSFOXNMUBXDFY-UHFFFAOYSA-N 0 0 416.568 4.750 50 0 HJAARN CC(C)c1nc(CN2CCC[C@@H]2c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)no1 ZINC000072308663 558769892 /nfs/dbraw/zinc/76/98/92/558769892.db2.gz LOCQBESIVPMJGJ-MRXNPFEDSA-N 0 0 405.424 4.939 50 0 HJAARN COc1ccc(CC(=O)Nc2ccc(-c3noc(-c4ccccc4OC)n3)cc2)cc1 ZINC000002847263 558773684 /nfs/dbraw/zinc/77/36/84/558773684.db2.gz SIDILBUGJMJEAP-UHFFFAOYSA-N 0 0 415.449 4.602 50 0 HJAARN COc1ccc(N2C(=S)N(c3ccccc3)C(=O)/C2=C\c2ccccc2O)cc1 ZINC000001127343 558775367 /nfs/dbraw/zinc/77/53/67/558775367.db2.gz IVYVWQCBICHWIK-HMMYKYKNSA-N 0 0 402.475 4.580 50 0 HJAARN O=C1[C@H]2[C@@H](C(=O)N1c1nc3ccccc3s1)C1c3ccccc3C2c2ccccc21 ZINC000018125166 558776796 /nfs/dbraw/zinc/77/67/96/558776796.db2.gz YTLSEFYARONJEB-JQBYJRRVSA-N 0 0 408.482 4.693 50 0 HJAARN CCCn1ccc2c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cccc2c1=O ZINC000004584188 558778337 /nfs/dbraw/zinc/77/83/37/558778337.db2.gz PJTIAOBHIIJGMB-UHFFFAOYSA-N 0 0 405.281 4.736 50 0 HJAARN COc1cccc(NC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)c1 ZINC000072311280 558782075 /nfs/dbraw/zinc/78/20/75/558782075.db2.gz LZYZBRDRDMJJOL-UHFFFAOYSA-N 0 0 400.866 4.841 50 0 HJAARN CCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)C1CCCC1 ZINC000004586654 558783765 /nfs/dbraw/zinc/78/37/65/558783765.db2.gz AMZNEWGJXBTYBS-UHFFFAOYSA-N 0 0 424.585 4.978 50 0 HJAARN O=C(c1ccccc1Br)N1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000004586462 558783802 /nfs/dbraw/zinc/78/38/02/558783802.db2.gz XTZBMLWNGIZPJI-UHFFFAOYSA-N 0 0 412.287 4.519 50 0 HJAARN O=C1C[C@@H](c2cccc(Br)c2)c2c(n[nH]c2-c2ccc(Cl)cc2)N1 ZINC000035143212 558788472 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MVNARXXSOPVLPP-UHFFFAOYSA-N 0 0 411.465 4.535 50 0 HJAARN O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1csc(-c2ccccn2)n1 ZINC000096307384 558868863 /nfs/dbraw/zinc/86/88/63/558868863.db2.gz CEQWFBWCEWREKB-NVNXTCNLSA-N 0 0 402.262 4.856 50 0 HJAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCN(C(=O)Nc2cccc(C)c2)CC1 ZINC000033085301 558869324 /nfs/dbraw/zinc/86/93/24/558869324.db2.gz ZJEUSEOZGVKZNZ-UHFFFAOYSA-N 0 0 424.932 4.962 50 0 HJAARN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCN(C(=O)Nc2ccccc2)CC1 ZINC000033085269 558869336 /nfs/dbraw/zinc/86/93/36/558869336.db2.gz URLAWJDHLUUXTA-UHFFFAOYSA-N 0 0 410.905 4.653 50 0 HJAARN CC(C)c1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)CC3)cc1 ZINC000033088983 558871738 /nfs/dbraw/zinc/87/17/38/558871738.db2.gz DTMQNXPNABDYSS-UHFFFAOYSA-N 0 0 411.299 4.696 50 0 HJAARN Fc1ccc(CN2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)cc1 ZINC000055153250 558874222 /nfs/dbraw/zinc/87/42/22/558874222.db2.gz ZASVDCRANMSGBG-UHFFFAOYSA-N 0 0 404.514 4.820 50 0 HJAARN Cc1ccc(C(=O)C[C@@]2(O)c3cc(Cl)ccc3N(CCc3ccccc3)C2=O)cc1 ZINC000004662656 558874914 /nfs/dbraw/zinc/87/49/14/558874914.db2.gz BTRXSUBINBEVPR-RUZDIDTESA-N 0 0 419.908 4.698 50 0 HJAARN COc1ccc(-c2c(C(=O)Nc3c(C)cc(C)cc3C)nn3c2[nH]c(=O)cc3C)cc1 ZINC000033123362 558879604 /nfs/dbraw/zinc/87/96/04/558879604.db2.gz PBFSJOFJWRSSBY-UHFFFAOYSA-N 0 0 416.481 4.596 50 0 HJAARN Cc1c([C@@H](C)NCc2cnc(-c3ccccc3C)nc2)cnn1-c1cccc(F)c1 ZINC000055343094 558879649 /nfs/dbraw/zinc/87/96/49/558879649.db2.gz MIGOMXHXKUFBTM-QGZVFWFLSA-N 0 0 401.489 4.936 50 0 HJAARN O=c1c2cn[nH]c2nc(SCc2ccccc2Cl)n1-c1cccc(Cl)c1 ZINC000004669917 558880663 /nfs/dbraw/zinc/88/06/63/558880663.db2.gz HVTADEKZXVTTHB-UHFFFAOYSA-N 0 0 403.294 4.708 50 0 HJAARN CC(C)c1ccccc1NC(=O)CCC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000055575471 558883087 /nfs/dbraw/zinc/88/30/87/558883087.db2.gz NZWCOHBLIPTFKC-OAQYLSRUSA-N 0 0 404.514 4.769 50 0 HJAARN Cc1cccc(NC(=O)N2CCC(CCNC(=O)c3cc4ccccc4[nH]3)CC2)c1 ZINC000033125993 558883790 /nfs/dbraw/zinc/88/37/90/558883790.db2.gz VOVYLRFQCMMZME-UHFFFAOYSA-N 0 0 404.514 4.540 50 0 HJAARN Cc1oc(-c2ccccc2)nc1CN1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000033048062 558884005 /nfs/dbraw/zinc/88/40/05/558884005.db2.gz FNWYEDSSKPBXBX-UHFFFAOYSA-N 0 0 424.932 4.962 50 0 HJAARN Cc1ccc([C@@H]2C(=O)N([C@@H]3CCC[C@H](C)[C@@H]3C)CC(=O)N2Cc2ccccc2)cc1 ZINC000004672390 558886255 /nfs/dbraw/zinc/88/62/55/558886255.db2.gz LIJPPDTUPRTSDO-VRKOAZSQSA-N 0 0 404.554 4.732 50 0 HJAARN COc1ccccc1Oc1ccc(-c2cccc(C(=O)NCc3ccccc3)c2)nn1 ZINC000033131037 558887590 /nfs/dbraw/zinc/88/75/90/558887590.db2.gz GTMXILNXDWGWMB-UHFFFAOYSA-N 0 0 411.461 4.875 50 0 biogenic HJAARN COc1ccc([C@@H]2CC(c3c(C)cc(C)[nH]c3=O)=NN2c2ccccc2F)cc1OC ZINC000004625234 558888455 /nfs/dbraw/zinc/88/84/55/558888455.db2.gz RQUPGYIKLJYGHZ-FQEVSTJZSA-N 0 0 421.472 4.504 50 0 HJAARN O=C(CSc1nccn2nc(-c3ccc(Cl)cc3)cc12)Nc1ccc(F)cc1 ZINC000057511029 558889039 /nfs/dbraw/zinc/88/90/39/558889039.db2.gz SQIPYAMGOBGZPI-UHFFFAOYSA-N 0 0 412.877 4.920 50 0 HJAARN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1)N1CCCc2ccccc21 ZINC000014162079 558891703 /nfs/dbraw/zinc/89/17/03/558891703.db2.gz YXFBJPXVDFXSRH-UHFFFAOYSA-N 0 0 419.337 4.850 50 0 HJAARN O=S(=O)(c1ccccc1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(F)c(F)c1 ZINC000033140853 558892768 /nfs/dbraw/zinc/89/27/68/558892768.db2.gz JEQYDSPIYATZBW-HSZRJFAPSA-N 0 0 424.472 4.783 50 0 HJAARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)CSc1ccccc1 ZINC000033141871 558893025 /nfs/dbraw/zinc/89/30/25/558893025.db2.gz NQSSQKZXBRZQLG-UHFFFAOYSA-N 0 0 415.518 4.733 50 0 HJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)c2ncoc2-c2ccccc2)cc1 ZINC000033141893 558893065 /nfs/dbraw/zinc/89/30/65/558893065.db2.gz VKFXJRWDIAZKBT-UHFFFAOYSA-N 0 0 422.444 4.601 50 0 HJAARN CCc1ccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000033141796 558893542 /nfs/dbraw/zinc/89/35/42/558893542.db2.gz PTZKMQKKTUPQFW-UHFFFAOYSA-N 0 0 414.552 4.696 50 0 HJAARN C[C@H](NC(=O)CCC(=O)NCCc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000004681292 558893867 /nfs/dbraw/zinc/89/38/67/558893867.db2.gz YKUUQAWZZFLRLF-QNHAZURESA-N 0 0 416.993 4.500 50 0 HJAARN Cc1oc(C(C)(C)C)cc1C(=O)N1CCN(C(=O)c2cc(C(C)(C)C)oc2C)CC1 ZINC000004682184 558894944 /nfs/dbraw/zinc/89/49/44/558894944.db2.gz GQPYLKINBOKXPQ-UHFFFAOYSA-N 0 0 414.546 4.683 50 0 HJAARN Cn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1ccccc1Cl ZINC000004685315 558895238 /nfs/dbraw/zinc/89/52/38/558895238.db2.gz QJRRQEQUSYGIBS-UHFFFAOYSA-N 0 0 418.975 4.633 50 0 HJAARN C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(c2ccccc2Cl)CC1 ZINC000058020081 558895893 /nfs/dbraw/zinc/89/58/93/558895893.db2.gz DOIQTBXTFQGCSY-CQSZACIVSA-N 0 0 403.313 4.927 50 0 HJAARN COc1ccc(NC(=O)C2CCN(c3nccc4sccc43)CC2)cc1Cl ZINC000033172049 558900828 /nfs/dbraw/zinc/90/08/28/558900828.db2.gz HHSGPHVQIFGECU-UHFFFAOYSA-N 0 0 401.919 4.813 50 0 HJAARN Cc1ccc(S(=O)(=O)Nc2ccccc2SC[C@@H](O)c2ccccc2)cc1C ZINC000058157579 558903392 /nfs/dbraw/zinc/90/33/92/558903392.db2.gz ZRPUAWLQTYNNPR-OAQYLSRUSA-N 0 0 413.564 4.930 50 0 HJAARN O=C(N[C@H]1CCCS(=O)(=O)c2ccccc21)c1ccccc1CCc1ccccc1 ZINC000058159630 558904679 /nfs/dbraw/zinc/90/46/79/558904679.db2.gz BMHUTEQVLSFHIR-QHCPKHFHSA-N 0 0 419.546 4.510 50 0 HJAARN CN(Cc1ccco1)C(=O)CSc1csc(-c2ccc(Br)cc2)n1 ZINC000058165931 558906671 /nfs/dbraw/zinc/90/66/71/558906671.db2.gz DXHGXGQKEHBOQT-UHFFFAOYSA-N 0 0 423.357 4.916 50 0 HJAARN O=C(/C=C/c1ccccc1)N1CCC(C(=O)Nc2cc(-n3cccc3)ccc2F)CC1 ZINC000058179964 558910074 /nfs/dbraw/zinc/91/00/74/558910074.db2.gz PKYOUNHCVKZJHR-DHZHZOJOSA-N 0 0 417.484 4.507 50 0 HJAARN COc1ccc(S(=O)(=O)N(c2ccc3[nH]ccc3c2)[C@@H](C)CC(C)C)cc1OC ZINC000058202927 558911707 /nfs/dbraw/zinc/91/17/07/558911707.db2.gz KRUXGOXUDDQVMH-INIZCTEOSA-N 0 0 416.543 4.815 50 0 HJAARN COc1ccc(NC(=O)N[C@H](c2cccs2)C(C)(C)C)cc1N1CCCC1=O ZINC000058203455 558911933 /nfs/dbraw/zinc/91/19/33/558911933.db2.gz MFPFHQDCQODXLY-LJQANCHMSA-N 0 0 401.532 4.792 50 0 HJAARN CC(=O)c1ccc(N2CCN(Cc3c(-c4ccccc4)nc4sccn34)CC2)cc1 ZINC000019531841 558912178 /nfs/dbraw/zinc/91/21/78/558912178.db2.gz WAWQVLGKERCRDM-UHFFFAOYSA-N 0 0 416.550 4.588 50 0 HJAARN Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000058210945 558912226 /nfs/dbraw/zinc/91/22/26/558912226.db2.gz QMYITFMCVYMWFR-LLVKDONJSA-N 0 0 407.417 4.903 50 0 HJAARN CCOc1ccc(C(=O)NC(=S)Nc2cc(C(C)(C)C)cc(Cl)c2O)cc1 ZINC000004705260 558912529 /nfs/dbraw/zinc/91/25/29/558912529.db2.gz RJUCYEHDSIYPMZ-UHFFFAOYSA-N 0 0 406.935 4.869 50 0 HJAARN COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4)ccc3o2)cc1 ZINC000004705262 558912694 /nfs/dbraw/zinc/91/26/94/558912694.db2.gz QQEONEFHGLDAHF-UHFFFAOYSA-N 0 0 403.463 4.630 50 0 HJAARN Cc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000004705299 558912708 /nfs/dbraw/zinc/91/27/08/558912708.db2.gz UNLXHSPBWLSPKC-JOCHJYFZSA-N 0 0 401.514 4.946 50 0 HJAARN CCOC(=O)[C@@H](NCc1cc(=O)oc2cc(C)ccc12)c1cccc2ccccc21 ZINC000058217990 558912811 /nfs/dbraw/zinc/91/28/11/558912811.db2.gz RGWXYZOWEBPVLT-DEOSSOPVSA-N 0 0 401.462 4.649 50 0 HJAARN Cc1sc2ncnc(N3CCC[C@H](CNC(=O)Nc4ccc(C)cc4)C3)c2c1C ZINC000058224205 558913161 /nfs/dbraw/zinc/91/31/61/558913161.db2.gz KDDWHFKWLUSIKE-QGZVFWFLSA-N 0 0 409.559 4.655 50 0 HJAARN Cc1ccccc1N1CCN(Cc2coc3c(Cl)cc(Cl)cc3c2=O)CC1 ZINC000071928244 558914483 /nfs/dbraw/zinc/91/44/83/558914483.db2.gz QNWBRLORXHGMQP-UHFFFAOYSA-N 0 0 403.309 4.730 50 0 HJAARN CCOc1cccc2c1O[C@@H](c1cc(OC)ccc1OC)N1N=C(c3ccco3)C[C@H]21 ZINC000004715658 558914892 /nfs/dbraw/zinc/91/48/92/558914892.db2.gz QPALJGBVDIWHNM-DVECYGJZSA-N 0 0 420.465 4.938 50 0 HJAARN COc1cccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2cccc(OC)c2)c1 ZINC000004715810 558915271 /nfs/dbraw/zinc/91/52/71/558915271.db2.gz AVOOUKXSTYTVLC-WIOPSUGQSA-N 0 0 416.477 4.955 50 0 HJAARN COc1cccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2cccc(OC)c2)c1 ZINC000004715812 558915278 /nfs/dbraw/zinc/91/52/78/558915278.db2.gz AVOOUKXSTYTVLC-DHLKQENFSA-N 0 0 416.477 4.955 50 0 HJAARN COC(=O)c1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(C)o4)=NN32)cc1 ZINC000004715801 558915281 /nfs/dbraw/zinc/91/52/81/558915281.db2.gz SLFWKXJAVLHQBD-AUSIDOKSSA-N 0 0 418.449 4.626 50 0 HJAARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(-c3noc(C4CC4)n3)cc2)CC1 ZINC000033254295 558918206 /nfs/dbraw/zinc/91/82/06/558918206.db2.gz GNKLCPDNFZKYJZ-UHFFFAOYSA-N 0 0 422.916 4.538 50 0 HJAARN Cc1ccc(/C=C/C(=O)OCc2nnc(-c3cccc(Br)c3)o2)s1 ZINC000058307317 558918502 /nfs/dbraw/zinc/91/85/02/558918502.db2.gz YUVIQEJZRRRAQN-BQYQJAHWSA-N 0 0 405.273 4.626 50 0 HJAARN CC(=O)Nc1ccc(C2=N/C(=C/c3ccc(OCc4ccccc4)cc3)C(=O)O2)cc1 ZINC000004718883 558918625 /nfs/dbraw/zinc/91/86/25/558918625.db2.gz RATQGECRWVCDBX-HZHRSRAPSA-N 0 0 412.445 4.569 50 0 HJAARN O=C(Cc1c(F)cccc1Cl)Nc1cc(C(=O)N2CCCCC2)ccc1Cl ZINC000058333205 558920121 /nfs/dbraw/zinc/92/01/21/558920121.db2.gz LRWUFKGTSKGAFB-UHFFFAOYSA-N 0 0 409.288 4.940 50 0 HJAARN CC(C)(C)[C@H]1CCc2c(sc3nc(CCC(=O)NC4CCCCC4)[nH]c(=O)c23)C1 ZINC000033252262 558920633 /nfs/dbraw/zinc/92/06/33/558920633.db2.gz KMYCHLNRSQHPAF-AWEZNQCLSA-N 0 0 415.603 4.517 50 0 HJAARN Cc1nc2ccc(NC(=O)C[C@@H]3Sc4ccc(C(F)(F)F)cc4NC3=O)cc2o1 ZINC000058357852 558921729 /nfs/dbraw/zinc/92/17/29/558921729.db2.gz UDLZZJVXDLAJMN-INIZCTEOSA-N 0 0 421.400 4.597 50 0 HJAARN C[C@]1(C(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2ccccc2F)CC1(Cl)Cl ZINC000058367904 558922469 /nfs/dbraw/zinc/92/24/69/558922469.db2.gz WMLCTOIZUWIOSN-FXAWDEMLSA-N 0 0 421.299 4.696 50 0 HJAARN O=C(Nc1cc2c(cc1C(=O)c1ccccc1F)OCCO2)c1cccc(Cl)c1 ZINC000004723330 558922646 /nfs/dbraw/zinc/92/26/46/558922646.db2.gz HNAQNIJHILADGF-UHFFFAOYSA-N 0 0 411.816 4.734 50 0 HJAARN COc1ccc2nc(C)c(C(=O)Nc3ccc(Sc4nccn4C)cc3)cc2c1 ZINC000058382287 558923383 /nfs/dbraw/zinc/92/33/83/558923383.db2.gz VEOVKNXKMHPFER-UHFFFAOYSA-N 0 0 404.495 4.689 50 0 HJAARN CCn1cc(-c2nc(-c3ccccc3)no2)c(=O)c2cc(F)c(N3CCCCC3)cc21 ZINC000033255943 558923678 /nfs/dbraw/zinc/92/36/78/558923678.db2.gz MDDORLVUWCYNEY-UHFFFAOYSA-N 0 0 418.472 4.868 50 0 HJAARN CN(Cc1coc(-c2ccc(F)cc2)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000058393587 558923788 /nfs/dbraw/zinc/92/37/88/558923788.db2.gz CXNOADGZESBRKN-OALUTQOASA-N 0 0 407.272 4.878 50 0 HJAARN Cc1c(N(Cc2cccc(F)c2)Cc2cccc(F)c2)c(=O)n(-c2ccccc2)n1C ZINC000058401396 558924149 /nfs/dbraw/zinc/92/41/49/558924149.db2.gz NDXHTDRJBXUPLF-UHFFFAOYSA-N 0 0 419.475 4.969 50 0 HJAARN O=C(Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1)c1cnsn1 ZINC000058416947 558925461 /nfs/dbraw/zinc/92/54/61/558925461.db2.gz PGLPBWZGQAUYKE-UHFFFAOYSA-N 0 0 404.826 4.510 50 0 HJAARN O=C1N(Cc2ccccc2)c2ccc(Cl)cc2[C@@]1(O)[C@H]1CCc2ccccc2C1=O ZINC000072193912 558931028 /nfs/dbraw/zinc/93/10/28/558931028.db2.gz ZYAYJMIHRVQVMD-CPJSRVTESA-N 0 0 417.892 4.520 50 0 HJAARN COc1cc(OC)cc(-c2noc(CSc3ccc(-c4ccccc4)nn3)n2)c1 ZINC000033262433 558931261 /nfs/dbraw/zinc/93/12/61/558931261.db2.gz WSNPMAGDHHMPFF-UHFFFAOYSA-N 0 0 406.467 4.503 50 0 HJAARN O=C(NCCCn1c2ncccc2nc1-c1ccc(F)cc1)Nc1ccc(F)cc1 ZINC000033263798 558932968 /nfs/dbraw/zinc/93/29/68/558932968.db2.gz ODRYHKCCDRSOKI-UHFFFAOYSA-N 0 0 407.424 4.588 50 0 HJAARN CCCOc1ccc(Oc2ncccc2CNC(=O)c2cnc3ccccc3n2)cc1 ZINC000059309056 558933863 /nfs/dbraw/zinc/93/38/63/558933863.db2.gz HRLKTXSPTGDCRO-UHFFFAOYSA-N 0 0 414.465 4.536 50 0 HJAARN O=C(CCn1ccc2ccc(Br)cc21)Nc1ccc2c(c1)OCCCO2 ZINC000072401420 558936053 /nfs/dbraw/zinc/93/60/53/558936053.db2.gz CRQQBMLSAYKODV-UHFFFAOYSA-N 0 0 415.287 4.594 50 0 HJAARN CCOc1cccc([C@@H](C)NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c1 ZINC000060183069 558941734 /nfs/dbraw/zinc/94/17/34/558941734.db2.gz ZUIVNXARPYRFBJ-NTKDMRAZSA-N 0 0 416.521 4.824 50 0 HJAARN CCOc1ccc(NC(=O)[C@@H](CC)n2nc(-c3cc(C)ccc3C)ccc2=O)cc1 ZINC000021783499 558949197 /nfs/dbraw/zinc/94/91/97/558949197.db2.gz GVSSSNIBQUEIEM-JOCHJYFZSA-N 0 0 405.498 4.516 50 0 HJAARN CCc1ccccc1NC(=O)[C@H](C)n1nc(-c2ccccc2)c2c(c1=O)CCCC2 ZINC000021783890 558949358 /nfs/dbraw/zinc/94/93/58/558949358.db2.gz GQZCLAWFJRHLLI-KRWDZBQOSA-N 0 0 401.510 4.551 50 0 HJAARN Cc1ccc(C)c(-c2nn([C@@H](C)C(=O)Nc3ccccc3C)c(=O)c3c2CCCC3)c1 ZINC000021783732 558949387 /nfs/dbraw/zinc/94/93/87/558949387.db2.gz YNIQCBVMHLCYMK-IBGZPJMESA-N 0 0 415.537 4.914 50 0 HJAARN COc1ccc(OC)c(/C=C\C(=O)OCc2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC000096450344 558951322 /nfs/dbraw/zinc/95/13/22/558951322.db2.gz MMZWIJHQIBBZGG-QINSGFPZSA-N 0 0 417.461 4.713 50 0 HJAARN CC[C@@H](C)N1C(=O)c2cc3sccc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021809815 558953120 /nfs/dbraw/zinc/95/31/20/558953120.db2.gz XGBDXOCNGZCBCQ-QRQCRPRQSA-N 0 0 401.576 4.555 50 0 HJAARN Cc1ccc2c(=O)cc(CSCC(=O)Nc3cc(Cl)ccc3C)[nH]c2c1C ZINC000033064042 558956798 /nfs/dbraw/zinc/95/67/98/558956798.db2.gz MYYCZERMKRUWBG-UHFFFAOYSA-N 0 0 400.931 4.979 50 0 HJAARN CCc1ccc2[nH]c(CSCC(=O)Nc3ccc(OC)c(Cl)c3)cc(=O)c2c1 ZINC000033064281 558957161 /nfs/dbraw/zinc/95/71/61/558957161.db2.gz KBYAEXJMSZSYJZ-UHFFFAOYSA-N 0 0 416.930 4.624 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)CNC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000021835052 558957509 /nfs/dbraw/zinc/95/75/09/558957509.db2.gz FEQCOQMEWOZVEH-UHFFFAOYSA-N 0 0 403.265 4.930 50 0 HJAARN Cc1cc(NC(=O)OCc2ccccc2)nn1-c1ccccc1C(=O)OC(C)(C)C ZINC000063110858 558957559 /nfs/dbraw/zinc/95/75/59/558957559.db2.gz VARLGIVRKZZUDL-UHFFFAOYSA-N 0 0 407.470 4.885 50 0 HJAARN O=C(Nc1ccccc1)Nc1ccc(OCc2cc(=O)n3cc(Cl)ccc3n2)cc1 ZINC000033068284 558959077 /nfs/dbraw/zinc/95/90/77/558959077.db2.gz YTAGLJMKAZTKEB-UHFFFAOYSA-N 0 0 420.856 4.571 50 0 HJAARN Cc1ccc2c(C(=O)N3CCC(C(F)(F)F)CC3)cc(-c3cncnc3)nc2c1C ZINC000063882573 558960767 /nfs/dbraw/zinc/96/07/67/558960767.db2.gz ZAWUCXPQHVDHIM-UHFFFAOYSA-N 0 0 414.431 4.723 50 0 HJAARN Cc1ccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NCc2ccccc2)cc1 ZINC000096515452 558962962 /nfs/dbraw/zinc/96/29/62/558962962.db2.gz LRSAGRHJKYKVHR-UHFFFAOYSA-N 0 0 420.490 4.514 50 0 HJAARN Cc1ccc(N2C(=O)c3cc4ccsc4n3C[C@]2(C)C(=O)NC2CCCCC2)cc1 ZINC000064662272 558965064 /nfs/dbraw/zinc/96/50/64/558965064.db2.gz YRIIMRBDMNNDGL-XMMPIXPASA-N 0 0 421.566 4.879 50 0 HJAARN O=C(NC12CC3CC(CC(C3)C1)C2)N1CCC2(CC1)Nc1ccccc1-n1cccc12 ZINC000033068642 558966472 /nfs/dbraw/zinc/96/64/72/558966472.db2.gz RHKWNCGYRUGLSR-UHFFFAOYSA-N 0 0 416.569 4.872 50 0 biogenic HJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2oc(=O)n(Cc3ccccc3)c2c1 ZINC000064893917 558967145 /nfs/dbraw/zinc/96/71/45/558967145.db2.gz SSZLHYKMOGUTBR-UHFFFAOYSA-N 0 0 412.367 4.914 50 0 HJAARN O=c1c2ccccc2c(-c2nc(-c3ccc(F)cc3)no2)nn1-c1cccc(Cl)c1 ZINC000064949854 558967882 /nfs/dbraw/zinc/96/78/82/558967882.db2.gz SXBUZJAPQBZZHB-UHFFFAOYSA-N 0 0 418.815 4.895 50 0 HJAARN O=C(NC1CCCCC1)c1ccc2ccnc(N3CCN(c4ccccc4)CC3)c2c1 ZINC000065002501 558968816 /nfs/dbraw/zinc/96/88/16/558968816.db2.gz BQVMVADINNCBPZ-UHFFFAOYSA-N 0 0 414.553 4.624 50 0 HJAARN COc1cc2c(cc1-c1c(-c3ccccc3)ncn1Cc1ccc(O)cc1)OCO2 ZINC000065374875 558976846 /nfs/dbraw/zinc/97/68/46/558976846.db2.gz BRPGVNZNZNWDGK-UHFFFAOYSA-N 0 0 400.434 4.708 50 0 HJAARN CC(=O)N(c1nc(/C=C\C(=O)N2c3ccccc3C[C@@H]2C)cs1)c1ccccc1 ZINC000096551422 558977474 /nfs/dbraw/zinc/97/74/74/558977474.db2.gz JELQLWPNWCZALM-AHKFDXCISA-N 0 0 403.507 4.819 50 0 HJAARN COc1ccc(C)cc1NC(=O)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12 ZINC000021944675 558978668 /nfs/dbraw/zinc/97/86/68/558978668.db2.gz QSPCGNVRLBZAFG-UHFFFAOYSA-N 0 0 420.488 4.882 50 0 biogenic HJAARN COc1ccc(-c2nc3cc(C)ccc3cc2CN(C)Cc2ccon2)cc1OC ZINC000072481042 558984113 /nfs/dbraw/zinc/98/41/13/558984113.db2.gz OIZPLVLHTBXEPA-UHFFFAOYSA-N 0 0 403.482 4.847 50 0 HJAARN CCNC(=O)N1CCC[C@@H](c2cccc(C(=O)N[C@@H](C)c3ccc(CC)cc3)c2)C1 ZINC000033264199 558984700 /nfs/dbraw/zinc/98/47/00/558984700.db2.gz MJLOCAFZXRQUHE-FDDCHVKYSA-N 0 0 407.558 4.649 50 0 HJAARN COc1ccccc1NC(=O)NC[C@@H](c1cn(C)c2ccccc12)c1cccnc1 ZINC000033267822 558990240 /nfs/dbraw/zinc/99/02/40/558990240.db2.gz KRQYKCAZQDXUCU-LJQANCHMSA-N 0 0 400.482 4.536 50 0 HJAARN COc1ccc(C)cc1NC(=O)NC[C@@H](c1cn(C)c2ccccc12)c1cccnc1 ZINC000033267886 558990381 /nfs/dbraw/zinc/99/03/81/558990381.db2.gz DIPQLAMPMIYAGU-HXUWFJFHSA-N 0 0 414.509 4.844 50 0 HJAARN Cn1ncc(Cl)c1C(=O)N1CCCCC[C@H]1c1cc(-c2ccc(F)cc2)on1 ZINC000067640834 558990638 /nfs/dbraw/zinc/99/06/38/558990638.db2.gz ZAOKMPDDSBWCKP-KRWDZBQOSA-N 0 0 402.857 4.625 50 0 HJAARN Cc1nc(CSc2ccc(C(=O)N(C)Cc3ccc4c(c3)OCO4)cc2)cs1 ZINC000022414274 558990890 /nfs/dbraw/zinc/99/08/90/558990890.db2.gz RFPLRGCESAARQO-UHFFFAOYSA-N 0 0 412.536 4.745 50 0 HJAARN COc1ccccc1N1CCN(C(=O)c2cc3cn(C4CCCC4)cc3s2)CC1 ZINC000097151821 558997477 /nfs/dbraw/zinc/99/74/77/558997477.db2.gz TYTYJUUHHZURCO-UHFFFAOYSA-N 0 0 409.555 4.789 50 0 HJAARN COc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1N1CCCC1=O ZINC000011257363 559015097 /nfs/dbraw/zinc/01/50/97/559015097.db2.gz WICJCZNCGXUFQI-LBPRGKRZSA-N 0 0 423.296 4.535 50 0 HJAARN Cc1ccc(NC(=O)CSc2nc3cc(-c4ccccc4)sc3c(=O)n2C)cc1 ZINC000023127017 559015786 /nfs/dbraw/zinc/01/57/86/559015786.db2.gz UHENSAWBSFSMLU-UHFFFAOYSA-N 0 0 421.547 4.701 50 0 HJAARN COc1cc(/C=C\C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc(OC)c1 ZINC000098004113 559016674 /nfs/dbraw/zinc/01/66/74/559016674.db2.gz WNXZLEPONGRUIW-JYRVWZFOSA-N 0 0 417.465 5.000 50 0 HJAARN COC(=O)CN1C(=O)c2ccccc2[C@H]1c1c2ccccc2n(C)c1-c1ccccc1 ZINC000004731400 559032303 /nfs/dbraw/zinc/03/23/03/559032303.db2.gz KMXMVYHIHXHCER-VWLOTQADSA-N 0 0 410.473 4.564 50 0 HJAARN O=C(/C=C/c1ccccc1)n1nc(-c2cccnc2)nc1NCc1cccc(Cl)c1 ZINC000004732442 559032713 /nfs/dbraw/zinc/03/27/13/559032713.db2.gz PVZAAUVGDCZWJO-VAWYXSNFSA-N 0 0 415.884 4.959 50 0 HJAARN CCCN1C(=O)N(c2ccc(C)cc2)[C@H](N(O)C(=O)Nc2ccc(C)cc2)C1(C)C ZINC000004732467 559032765 /nfs/dbraw/zinc/03/27/65/559032765.db2.gz IXKDMZJIZKTBQZ-HXUWFJFHSA-N 0 0 410.518 4.983 50 0 HJAARN CCCN1C(=O)N(c2ccc(C)cc2)[C@@H](N(O)C(=O)Nc2ccc(C)cc2)C1(C)C ZINC000004732468 559032771 /nfs/dbraw/zinc/03/27/71/559032771.db2.gz IXKDMZJIZKTBQZ-FQEVSTJZSA-N 0 0 410.518 4.983 50 0 HJAARN COc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)cc1 ZINC000033271485 559032926 /nfs/dbraw/zinc/03/29/26/559032926.db2.gz IWWIADMVVGZANA-MRXNPFEDSA-N 0 0 404.495 4.582 50 0 HJAARN COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccc(C)cc3)sc2c1 ZINC000033271552 559033022 /nfs/dbraw/zinc/03/30/22/559033022.db2.gz YPFBEKGKOQWAQW-MRXNPFEDSA-N 0 0 404.495 4.582 50 0 HJAARN Cc1cc(C)c(NC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)c(C)c1 ZINC000033272036 559033448 /nfs/dbraw/zinc/03/34/48/559033448.db2.gz YNROJMTUFXQKSI-UHFFFAOYSA-N 0 0 420.534 4.978 50 0 HJAARN CCOc1ccc(-c2noc(Cn3nc(-c4ccccc4)c4ccccc4c3=O)n2)cc1 ZINC000033273829 559034260 /nfs/dbraw/zinc/03/42/60/559034260.db2.gz SOYUWVJVUUTKRA-UHFFFAOYSA-N 0 0 424.460 4.561 50 0 HJAARN COc1ccc(-c2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)no2)cc1 ZINC000033276444 559036170 /nfs/dbraw/zinc/03/61/70/559036170.db2.gz YNSHFPOIBLYCHW-UHFFFAOYSA-N 0 0 421.478 4.521 50 0 HJAARN Cc1nc(C)n(C[C@@H](C)C(=O)NCc2cc(C)cc3c(C)c(-c4ccccc4)[nH]c32)n1 ZINC000082107165 559038427 /nfs/dbraw/zinc/03/84/27/559038427.db2.gz GMPJSIYLGCVEIV-MRXNPFEDSA-N 0 0 415.541 4.613 50 0 HJAARN C[C@]1(C(=O)Nc2cc(Cl)ccc2Cl)CC1(Br)Br ZINC000004740692 559044005 /nfs/dbraw/zinc/04/40/05/559044005.db2.gz HIXCTRLMZHESCM-SNVBAGLBSA-N 0 0 401.913 4.828 50 0 HJAARN CC(C)c1cccc(NC(=O)Cn2c3ccccc3c(NC3CCCC3)nc2=O)c1 ZINC000033287471 559044085 /nfs/dbraw/zinc/04/40/85/559044085.db2.gz KWNINZKYZRPXBS-UHFFFAOYSA-N 0 0 404.514 4.513 50 0 HJAARN COc1ccc(NC(=O)CSc2nccnc2Sc2cccc(C)c2)c(C)c1 ZINC000033289081 559044575 /nfs/dbraw/zinc/04/45/75/559044575.db2.gz VFSVZEUMOBKFMB-UHFFFAOYSA-N 0 0 411.552 4.984 50 0 HJAARN C[C@@H](C(=O)N1CCCCCC1)N1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12 ZINC000004747656 559046093 /nfs/dbraw/zinc/04/60/93/559046093.db2.gz DGEQBRZNDBKFGR-MHECFPHRSA-N 0 0 415.537 4.515 50 0 HJAARN COc1cccc(CNC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)c1 ZINC000004743770 559046293 /nfs/dbraw/zinc/04/62/93/559046293.db2.gz ZKUVXOIKVPGLPU-UHFFFAOYSA-N 0 0 419.477 4.722 50 0 HJAARN Cc1coc2c1cc1c(C)c(CC(=O)NCc3cccc(Cl)c3)c(=O)oc1c2C ZINC000004743966 559046302 /nfs/dbraw/zinc/04/63/02/559046302.db2.gz MFQCIYBAKPNTLD-UHFFFAOYSA-N 0 0 409.869 4.977 50 0 HJAARN Cc1csc(-c2cc(S(=O)(=O)N3CC=C(c4ccccc4)CC3)c(C)s2)n1 ZINC000033289981 559047007 /nfs/dbraw/zinc/04/70/07/559047007.db2.gz HLFDEZUATMIYMN-UHFFFAOYSA-N 0 0 416.593 4.966 50 0 HJAARN CN(C)C(=O)c1csc2nc(-c3ccc(NC(=O)c4ccccc4Cl)cc3)cn12 ZINC000033299447 559049336 /nfs/dbraw/zinc/04/93/36/559049336.db2.gz UUXNHBMPVVOLMU-UHFFFAOYSA-N 0 0 424.913 4.670 50 0 HJAARN Cc1cccc(-c2cc(N3CCN(C(=O)c4ccc(C(C)C)cc4)CC3)ncn2)c1 ZINC000033300750 559050750 /nfs/dbraw/zinc/05/07/50/559050750.db2.gz PAJCYRBEIQXOFJ-UHFFFAOYSA-N 0 0 400.526 4.538 50 0 HJAARN CCOc1ccc(Nc2nc(-c3nnn(-c4ccc(C)c(F)c4)c3C)ns2)cc1 ZINC000033302101 559051180 /nfs/dbraw/zinc/05/11/80/559051180.db2.gz JTTIUCORZFXSLH-UHFFFAOYSA-N 0 0 410.478 4.684 50 0 HJAARN Cc1cc(NC(=O)CCn2c(=S)[nH]nc2-c2cccs2)ccc1N1CCCC1 ZINC000011326070 559052759 /nfs/dbraw/zinc/05/27/59/559052759.db2.gz RGWKFSJCPNZLEK-UHFFFAOYSA-N 0 0 413.572 4.607 50 0 HJAARN O=C(NCc1cccc(Cl)c1)c1ccc(-c2nccnc2N2CCCCC2)cc1 ZINC000033313135 559055165 /nfs/dbraw/zinc/05/51/65/559055165.db2.gz KMHUCRKKCFVNHL-UHFFFAOYSA-N 0 0 406.917 4.717 50 0 HJAARN CSc1ccc(CNC(=O)c2ccc(-c3nccnc3N3CCCCC3)cc2)cc1 ZINC000033313165 559055173 /nfs/dbraw/zinc/05/51/73/559055173.db2.gz QJELFCUYASURCN-UHFFFAOYSA-N 0 0 418.566 4.786 50 0 HJAARN O=C(CCOc1ccccc1)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000011340006 559056397 /nfs/dbraw/zinc/05/63/97/559056397.db2.gz RZMRNHNPMZRMHP-UHFFFAOYSA-N 0 0 411.505 4.684 50 0 HJAARN C[C@@H](NC(=O)OCc1ccccc1)c1ccc(C(=O)Nc2ccnc3[nH]ccc32)cc1 ZINC000085221419 559056535 /nfs/dbraw/zinc/05/65/35/559056535.db2.gz XQVVZDMIKBFLOZ-MRXNPFEDSA-N 0 0 414.465 4.803 50 0 HJAARN Cc1cccc(NC(=O)COc2ccccc2-c2noc(-c3ccc(F)cc3)n2)c1 ZINC000033324992 559058561 /nfs/dbraw/zinc/05/85/61/559058561.db2.gz KNJGQBMOFLZYJP-UHFFFAOYSA-N 0 0 403.413 4.869 50 0 HJAARN O=C(COc1ccccc1-c1noc(-c2cccc(Cl)c2)n1)N1CCCCCC1 ZINC000033325276 559058796 /nfs/dbraw/zinc/05/87/96/559058796.db2.gz XMKRDZCCNYUHJT-UHFFFAOYSA-N 0 0 411.889 4.838 50 0 HJAARN Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 ZINC000585148800 559059851 /nfs/dbraw/zinc/05/98/51/559059851.db2.gz HGZFJXGYLFQBRZ-QGZVFWFLSA-N 0 0 408.885 4.868 50 0 HJAARN COc1ccccc1-c1nc(-c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)no1 ZINC000033327371 559060170 /nfs/dbraw/zinc/06/01/70/559060170.db2.gz YBYPCFXAUOKSMZ-UHFFFAOYSA-N 0 0 419.412 4.569 50 0 HJAARN C[C@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1 ZINC000098064870 559062650 /nfs/dbraw/zinc/06/26/50/559062650.db2.gz ZFUOSFOFDDSMKQ-MDJJKAFGSA-N 0 0 418.946 4.767 50 0 HJAARN CC1(C)c2cc(Br)ccc2N2CCC(=O)N[C@@]21/C=C/c1ccc(F)cc1 ZINC000004811849 559069348 /nfs/dbraw/zinc/06/93/48/559069348.db2.gz YCEPCDDQXQSTFN-ZUURVNMSSA-N 0 0 415.306 4.615 50 0 HJAARN O=C(CNC(=O)c1ccc(Cl)cc1Cl)N1CCC(CCc2ccccc2)CC1 ZINC000011453403 559077049 /nfs/dbraw/zinc/07/70/49/559077049.db2.gz QNEVLPLTBAXADN-UHFFFAOYSA-N 0 0 419.352 4.595 50 0 HJAARN Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1ccccc1SC(F)F ZINC000011506732 559079048 /nfs/dbraw/zinc/07/90/48/559079048.db2.gz XIAXMOPNMUHQEG-UHFFFAOYSA-N 0 0 418.421 4.760 50 0 HJAARN CC(C)c1ccc(-c2cs/c(=N\c3ccccc3)n2CCN2CCOCC2)cc1 ZINC000016949843 559087209 /nfs/dbraw/zinc/08/72/09/559087209.db2.gz JYBQYBMVZXOMFE-IZHYLOQSSA-N 0 0 407.583 4.905 50 0 HJAARN COc1cc(OC)c(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc43)C2)cc1Cl ZINC000011601362 559113005 /nfs/dbraw/zinc/11/30/05/559113005.db2.gz MTOZRLZNFQLDIB-OAHLLOKOSA-N 0 0 424.884 4.502 50 0 HJAARN COc1cc(OC)c(NC(=O)CSc2ncnc3sc(C)c(C)c32)cc1Cl ZINC000011601397 559113051 /nfs/dbraw/zinc/11/30/51/559113051.db2.gz GCMXFXCHRZPBKX-UHFFFAOYSA-N 0 0 423.947 4.710 50 0 HJAARN COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)C(C)C)cc1 ZINC000004816700 559114251 /nfs/dbraw/zinc/11/42/51/559114251.db2.gz CZHHCKIHBOYPHG-VQTJNVASSA-N 0 0 410.905 4.664 50 0 HJAARN CCCCC(=O)N1c2ncnn2[C@@H](c2ccc(OC)cc2)C[C@@H]1c1ccc(C)cc1 ZINC000004816766 559114511 /nfs/dbraw/zinc/11/45/11/559114511.db2.gz ISPUYZJONSSFCV-FGZHOGPDSA-N 0 0 404.514 4.853 50 0 HJAARN O=C(Cc1ccccc1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023310740 559114620 /nfs/dbraw/zinc/11/46/20/559114620.db2.gz MXVPRDAYOYNSHV-VWLOTQADSA-N 0 0 404.941 4.816 50 0 HJAARN CCc1ccccc1NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098072997 559126572 /nfs/dbraw/zinc/12/65/72/559126572.db2.gz GEIZMPGZSLJJSH-UHFFFAOYSA-N 0 0 408.239 4.831 50 0 HJAARN Cc1ccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1F ZINC000098072957 559126649 /nfs/dbraw/zinc/12/66/49/559126649.db2.gz UUKKKYSYFRQTKF-UHFFFAOYSA-N 0 0 412.202 4.716 50 0 HJAARN O=S(=O)(Nc1ccccc1Cl)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098073017 559126659 /nfs/dbraw/zinc/12/66/59/559126659.db2.gz WMAKTYZNKHMHBG-UHFFFAOYSA-N 0 0 414.630 4.922 50 0 HJAARN CC(C)(C)c1ccc(C(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)CC2)cc1 ZINC000098212873 559128148 /nfs/dbraw/zinc/12/81/48/559128148.db2.gz RSOALAMLGMALMW-UHFFFAOYSA-N 0 0 408.571 4.835 50 0 HJAARN CCOc1ccc2nc(S[C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3=O)sc2c1 ZINC000100591735 559136887 /nfs/dbraw/zinc/13/68/87/559136887.db2.gz CIECHWBGAXWZBK-SFHVURJKSA-N 0 0 412.536 4.736 50 0 HJAARN Cc1ccc(N2C(=O)[C@@H]3ON(c4ccc(Cl)cc4)[C@@H](c4cccs4)[C@H]3C2=O)cc1 ZINC000100723556 559138489 /nfs/dbraw/zinc/13/84/89/559138489.db2.gz KCHGDRJDKWKBQG-HSALFYBXSA-N 0 0 424.909 4.761 50 0 HJAARN Cc1ccc(S(=O)(=O)Nc2c(=O)oc3ccccc3c2NC2CCCC2)c(C)c1 ZINC000101095781 559143276 /nfs/dbraw/zinc/14/32/76/559143276.db2.gz HOOCXMXKWQBITR-UHFFFAOYSA-N 0 0 412.511 4.565 50 0 HJAARN CC(C)n1c2ccccc2nc1[C@H]1CCCN1C(=O)c1ccc(OCC2CC2)nc1 ZINC000072306557 559147820 /nfs/dbraw/zinc/14/78/20/559147820.db2.gz FAVOLJQSCOCSAE-OAQYLSRUSA-N 0 0 404.514 4.778 50 0 HJAARN Cc1nnc(SCc2ccc(Cl)cc2)nc1/C=C/NOCc1ccc(F)cc1 ZINC000100104830 559150706 /nfs/dbraw/zinc/15/07/06/559150706.db2.gz OTVRGMOVWHTRAH-ZHACJKMWSA-N 0 0 416.909 4.957 50 0 HJAARN O=C(Nc1ccccc1OCC(F)(F)F)C1CCN(c2nc3ccccc3o2)CC1 ZINC000014170351 559154851 /nfs/dbraw/zinc/15/48/51/559154851.db2.gz XPLSTEVRJNHGRF-UHFFFAOYSA-N 0 0 419.403 4.624 50 0 HJAARN O=C(/C=C/c1ccc(Br)s1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000014171538 559154919 /nfs/dbraw/zinc/15/49/19/559154919.db2.gz ZFVFCEFVHUNMQP-PXTSUWAFSA-N 0 0 420.328 4.659 50 0 HJAARN COc1ccc2c(c1)C(=O)N(c1ccccc1OC)C(=O)C2=CNc1ccc(C)cc1 ZINC000103265888 559155222 /nfs/dbraw/zinc/15/52/22/559155222.db2.gz CROUJQJPWAWWKT-RCCKNPSSSA-N 0 0 414.461 4.652 50 0 HJAARN c1coc(-c2cc(CSc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)no2)c1 ZINC000014200746 559156620 /nfs/dbraw/zinc/15/66/20/559156620.db2.gz UNEGHORLAFQMKR-AWEZNQCLSA-N 0 0 414.512 4.726 50 0 HJAARN O=C(CCCc1ccccc1)N1NC(C(F)(F)F)=C[C@@]1(O)c1ccc(Cl)cc1 ZINC000004832225 559163931 /nfs/dbraw/zinc/16/39/31/559163931.db2.gz KPMIBWVQJRFUJA-LJQANCHMSA-N 0 0 410.823 4.659 50 0 HJAARN O=C(Cc1ccccc1F)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F ZINC000014367066 559164863 /nfs/dbraw/zinc/16/48/63/559164863.db2.gz IRRNZWOXYQIEJW-UHFFFAOYSA-N 0 0 406.335 4.871 50 0 HJAARN Cc1noc(-c2ccc3c(c2)OCO3)c1C(=O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000023329913 559167584 /nfs/dbraw/zinc/16/75/84/559167584.db2.gz LPJWDMZXDSJJBR-UHFFFAOYSA-N 0 0 422.456 4.613 50 0 HJAARN Cc1nn(-c2nc(C)c(C(=O)NC(C)C)s2)c(C)c1Cc1ccc(Cl)cc1 ZINC000014608892 559170824 /nfs/dbraw/zinc/17/08/24/559170824.db2.gz AZDQASHBWLBUNK-UHFFFAOYSA-N 0 0 402.951 4.636 50 0 HJAARN Cc1nn(-c2nc(C)c(C(=O)NC(C)C)s2)c(C)c1Cc1ccccc1Cl ZINC000014608897 559170856 /nfs/dbraw/zinc/17/08/56/559170856.db2.gz RYHPWAOPQLBSGV-UHFFFAOYSA-N 0 0 402.951 4.636 50 0 HJAARN Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)N4CCCCCCC4)c3)n2)o1 ZINC000023333956 559172128 /nfs/dbraw/zinc/17/21/28/559172128.db2.gz OXJXSVYOPAOIJB-UHFFFAOYSA-N 0 0 421.545 4.836 50 0 HJAARN Cc1ccc2nc(CSCCCC(=O)Nc3c(C)cc(C)cc3C)cc(=O)n2c1 ZINC000023413738 559173895 /nfs/dbraw/zinc/17/38/95/559173895.db2.gz XWWBAXPQQSKLJJ-UHFFFAOYSA-N 0 0 409.555 4.580 50 0 HJAARN COc1cc(-c2cc(C(=O)N3CCC[C@H](C)C3)c3ccccc3n2)cc(OC)c1OC ZINC000023433897 559174537 /nfs/dbraw/zinc/17/45/37/559174537.db2.gz FXKOZNKEBDKVRX-INIZCTEOSA-N 0 0 420.509 4.800 50 0 HJAARN COC(=O)c1ccc(-c2nc3ccc(-c4ccc(OC)c(OC)c4OC)cc3o2)cc1 ZINC000023458611 559175591 /nfs/dbraw/zinc/17/55/91/559175591.db2.gz KXQBYLPPIAVWAX-UHFFFAOYSA-N 0 0 419.433 4.974 50 0 HJAARN COc1cc(-c2nc(C(=O)Nc3ccc4[nH]ccc4c3)c(C)s2)cc(OC)c1OC ZINC000011691871 559185461 /nfs/dbraw/zinc/18/54/61/559185461.db2.gz ZCQCSUYUWKLZCE-UHFFFAOYSA-N 0 0 423.494 4.878 50 0 HJAARN COc1cc(NC(=O)c2nc(-c3ccccc3F)sc2C)cc(OC)c1OC ZINC000011691895 559185494 /nfs/dbraw/zinc/18/54/94/559185494.db2.gz NGUXZQCATWMNAX-UHFFFAOYSA-N 0 0 402.447 4.536 50 0 HJAARN CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1Cc1ccc(Br)cc1 ZINC000011692522 559186467 /nfs/dbraw/zinc/18/64/67/559186467.db2.gz ILHQUCSBGRLEMN-IBGZPJMESA-N 0 0 412.331 4.921 50 0 HJAARN CCn1nccc1C(=O)N(Cc1cccnc1)c1nc2c(s1)c(Cl)ccc2C ZINC000011696008 559188977 /nfs/dbraw/zinc/18/89/77/559188977.db2.gz DSQLNQMQWDCMFF-UHFFFAOYSA-N 0 0 411.918 4.717 50 0 HJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(C)c2)C12CCCCC2 ZINC000072401216 559189376 /nfs/dbraw/zinc/18/93/76/559189376.db2.gz JSQSLHMQBJWKBM-JOCHJYFZSA-N 0 0 406.526 4.522 50 0 HJAARN COC(=O)C(=CNc1ccc(F)c(F)c1F)c1ncc(C(F)(F)F)cc1Cl ZINC000100273604 559190666 /nfs/dbraw/zinc/19/06/66/559190666.db2.gz MCWUYIFJKFBLQF-VURMDHGXSA-N 0 0 410.701 4.797 50 0 HJAARN COc1ccc(C(=O)CSc2nc(-c3ccc(Br)cc3)c[nH]2)cc1 ZINC000004873840 559194941 /nfs/dbraw/zinc/19/49/41/559194941.db2.gz RHWNNPZFGJZCJG-UHFFFAOYSA-N 0 0 403.301 4.823 50 0 HJAARN COc1cc(Nc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2Cl)cc(OC)c1 ZINC000004885584 559196863 /nfs/dbraw/zinc/19/68/63/559196863.db2.gz PUXJZLFTNDTWRW-UHFFFAOYSA-N 0 0 415.921 4.583 50 0 HJAARN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nncn1-c1ccccc1OC ZINC000004895051 559198831 /nfs/dbraw/zinc/19/88/31/559198831.db2.gz BPGWTMSQRAOJNM-HOTGVXAUSA-N 0 0 410.543 4.909 50 0 HJAARN CC(C)OCCCNC(=O)c1cn(C2CCCCC2)c(=O)c2c1c1ccccc1n2C ZINC000004905065 559200528 /nfs/dbraw/zinc/20/05/28/559200528.db2.gz IPAUJHSCVDSRFH-UHFFFAOYSA-N 0 0 423.557 4.543 50 0 HJAARN CN(Cc1ccccc1)C(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1c[nH]c2ccccc21 ZINC000004909691 559201548 /nfs/dbraw/zinc/20/15/48/559201548.db2.gz PYUINWYIMHFKAK-LOSJGSFVSA-N 0 0 423.516 4.737 50 0 HJAARN Cc1ccc(OCCn2c3ccccc3nc2[C@H]2CC(=O)N(C(C)(C)C)C2)c(C)c1 ZINC000004910803 559202400 /nfs/dbraw/zinc/20/24/00/559202400.db2.gz LLNIAQNXQKGBRI-IBGZPJMESA-N 0 0 405.542 4.847 50 0 HJAARN CCN(CCNC(=O)c1ccc2nc(N3CCCCC3)sc2c1)c1ccccc1 ZINC000004912863 559202817 /nfs/dbraw/zinc/20/28/17/559202817.db2.gz GZSYYUUIDJDNOF-UHFFFAOYSA-N 0 0 408.571 4.543 50 0 HJAARN C[C@@H](CNC(=O)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1)c1ccccc1 ZINC000004911696 559203567 /nfs/dbraw/zinc/20/35/67/559203567.db2.gz COSVTAOSUMIMIP-INIZCTEOSA-N 0 0 402.523 4.784 50 0 HJAARN COc1ccc(-c2nc(SCC(=O)NCc3ccco3)c(-c3ccccc3)[nH]2)cc1 ZINC000004927683 559208174 /nfs/dbraw/zinc/20/81/74/559208174.db2.gz UIVMIRPUIWBTMP-UHFFFAOYSA-N 0 0 419.506 4.754 50 0 HJAARN CCCN1Cc2cccc(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)c2C1=O ZINC000004929315 559208610 /nfs/dbraw/zinc/20/86/10/559208610.db2.gz GUMRKGOMKVSHAM-UHFFFAOYSA-N 0 0 410.477 4.848 50 0 HJAARN COC(=O)c1ccccc1NC(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C ZINC000004930933 559209677 /nfs/dbraw/zinc/20/96/77/559209677.db2.gz XSNJQSMFJNCHNG-UHFFFAOYSA-N 0 0 409.442 4.549 50 0 HJAARN Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)N[C@H](C)c1ccccc1 ZINC000004935578 559210409 /nfs/dbraw/zinc/21/04/09/559210409.db2.gz BBBCZPSMBPISEA-MRXNPFEDSA-N 0 0 416.500 4.962 50 0 HJAARN Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)N1CCc2ccccc21 ZINC000004935663 559210518 /nfs/dbraw/zinc/21/05/18/559210518.db2.gz SMDWFXLMMXXVGX-UHFFFAOYSA-N 0 0 414.484 4.674 50 0 HJAARN CSc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C(C(=O)Nc1ccccc1)=C(C)N2 ZINC000004932998 559210879 /nfs/dbraw/zinc/21/08/79/559210879.db2.gz XGVNDOLAIVMZMY-KRWDZBQOSA-N 0 0 411.918 4.581 50 0 HJAARN C[C@@H]1CCN(C(=O)CSc2nnc(Cc3ccccc3)o2)c2ccccc2S1 ZINC000004934346 559211062 /nfs/dbraw/zinc/21/10/62/559211062.db2.gz OYCMMIDOPPTERO-OAHLLOKOSA-N 0 0 411.552 4.670 50 0 HJAARN CCn1c2ccccc2c2sc(C(=O)Nc3ccc(OC)c(OC)c3)cc2c1=O ZINC000004938984 559211593 /nfs/dbraw/zinc/21/15/93/559211593.db2.gz JVKNXPTXRRWHHS-UHFFFAOYSA-N 0 0 408.479 4.506 50 0 HJAARN CCn1c2ccccc2c2sc(C(=O)N[C@H](C)CCc3ccccc3)cc2c1=O ZINC000004939188 559211652 /nfs/dbraw/zinc/21/16/52/559211652.db2.gz VIPVUWSUPHNWIK-MRXNPFEDSA-N 0 0 404.535 4.987 50 0 HJAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(OC)cc1)cn2Cc1ccccc1 ZINC000004936836 559211913 /nfs/dbraw/zinc/21/19/13/559211913.db2.gz QKJOFJFAANNXKP-UHFFFAOYSA-N 0 0 413.473 4.688 50 0 HJAARN Cc1occc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)n1C ZINC000004947918 559214636 /nfs/dbraw/zinc/21/46/36/559214636.db2.gz LZHRZSXXNMAKHU-NSHDSACASA-N 0 0 410.421 4.522 50 0 HJAARN O=C(NCCOc1ccc(C(F)(F)F)cc1)c1ccc(C2SCCS2)cc1 ZINC000408526026 559215751 /nfs/dbraw/zinc/21/57/51/559215751.db2.gz VUNMLZAFIVQFIU-UHFFFAOYSA-N 0 0 413.486 4.993 50 0 HJAARN COc1ccc(CNC(=S)Nc2ccc3nc(N4CCCC4)cc(C)c3c2)cc1 ZINC000004969787 559219473 /nfs/dbraw/zinc/21/94/73/559219473.db2.gz ONNLRDBARHHBDE-UHFFFAOYSA-N 0 0 406.555 4.639 50 0 HJAARN C[C@@H]1CCC[C@@H](NC(=O)COc2ccc3c(c2)occ(-c2ccc(F)cc2)c3=O)[C@@H]1C ZINC000004979835 559222813 /nfs/dbraw/zinc/22/28/13/559222813.db2.gz IZTVWXJSZQAIMY-XCGNWRKASA-N 0 0 423.484 4.919 50 0 HJAARN CCOc1ccc(NC(=O)c2cc3c(-c4cccc(OC)c4)nn(C)c3s2)cc1 ZINC000005007031 559227534 /nfs/dbraw/zinc/22/75/34/559227534.db2.gz XXCBZMVVUIAQTL-UHFFFAOYSA-N 0 0 407.495 4.961 50 0 HJAARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)CSc1nnc(-c2ccccc2)o1 ZINC000005021025 559229222 /nfs/dbraw/zinc/22/92/22/559229222.db2.gz HCSSSACNOLWIDX-UHFFFAOYSA-N 0 0 419.510 4.578 50 0 HJAARN Cc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)c1C ZINC000005036686 559232533 /nfs/dbraw/zinc/23/25/33/559232533.db2.gz MWXVTHYVAIWVHH-UHFFFAOYSA-N 0 0 409.555 4.790 50 0 HJAARN Cc1oc(-c2ccccc2F)nc1CN1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000005043839 559236398 /nfs/dbraw/zinc/23/63/98/559236398.db2.gz NHKUAYYBINKJEO-UHFFFAOYSA-N 0 0 421.516 4.626 50 0 HJAARN Fc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@H](c1cccs1)N1NC=NC1=N2 ZINC000005055149 559237525 /nfs/dbraw/zinc/23/75/25/559237525.db2.gz VTYVIMHYEBTTCM-SFTDATJTSA-N 0 0 402.454 4.691 50 0 HJAARN Cc1oc(-c2ccccc2Cl)nc1CSCC(=O)NCc1ccc(F)cc1 ZINC000005057515 559237949 /nfs/dbraw/zinc/23/79/49/559237949.db2.gz GDWJLGISJWBARN-UHFFFAOYSA-N 0 0 404.894 4.992 50 0 HJAARN Cc1oc(-c2ccccc2F)nc1CSCC(=O)NCc1ccccc1Cl ZINC000005057606 559238037 /nfs/dbraw/zinc/23/80/37/559238037.db2.gz DONFHJJWOBLPHP-UHFFFAOYSA-N 0 0 404.894 4.992 50 0 HJAARN CCn1c(C(=O)N2CCC(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)CC2)cc2sccc21 ZINC000005085495 559242300 /nfs/dbraw/zinc/24/23/00/559242300.db2.gz YVZMTWYHHULNQB-SOLBZPMBSA-N 0 0 415.603 4.516 50 0 HJAARN CCC(CC)COC(=O)c1c(N)n(CCCOC(C)C)c2nc3ccccc3nc12 ZINC000005081681 559242690 /nfs/dbraw/zinc/24/26/90/559242690.db2.gz VZIJOBZHFAEFBZ-UHFFFAOYSA-N 0 0 412.534 4.575 50 0 HJAARN CCOc1ccc2nc(N3CCC(C(=O)N[C@H](C)c4ccccc4)CC3)sc2c1 ZINC000005086021 559242930 /nfs/dbraw/zinc/24/29/30/559242930.db2.gz AEFGUHFRFATDPQ-MRXNPFEDSA-N 0 0 409.555 4.789 50 0 HJAARN CC[C@@H](C)N(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)C1CC1 ZINC000005095828 559245114 /nfs/dbraw/zinc/24/51/14/559245114.db2.gz SBAFPXJROXIKFP-MRXNPFEDSA-N 0 0 416.562 4.762 50 0 HJAARN CCOc1ccc2nc(N3CCC[C@H](C(=O)NCCc4ccc(C)cc4)C3)sc2c1 ZINC000005105787 559245794 /nfs/dbraw/zinc/24/57/94/559245794.db2.gz JHQSDRWALJHEOF-IBGZPJMESA-N 0 0 423.582 4.579 50 0 HJAARN CCCSCCCNC(=O)[C@@H]1CCCN(c2nc3ccc(OCC)cc3s2)C1 ZINC000005106251 559245882 /nfs/dbraw/zinc/24/58/82/559245882.db2.gz CPIIOZZQTKABDE-MRXNPFEDSA-N 0 0 421.632 4.561 50 0 HJAARN COc1ccc(Br)cc1CNC(=O)c1cc(-c2ccccc2)n(C)c1C ZINC000005134951 559249467 /nfs/dbraw/zinc/24/94/67/559249467.db2.gz XFUVJONFPDIZKV-UHFFFAOYSA-N 0 0 413.315 4.702 50 0 HJAARN CCOc1ccc(CCNC(=O)c2c(C)c(C)sc2-n2cccc2)cc1OCC ZINC000005133046 559249673 /nfs/dbraw/zinc/24/96/73/559249673.db2.gz QYNDIOFBUPIZNW-UHFFFAOYSA-N 0 0 412.555 4.926 50 0 HJAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(N(CC(C)C)CC(C)C)s1 ZINC000005132878 559249686 /nfs/dbraw/zinc/24/96/86/559249686.db2.gz YJCZJFSSNCUERJ-UHFFFAOYSA-N 0 0 413.547 4.872 50 0 HJAARN Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)COc1cccc(C)c1 ZINC000005136939 559249885 /nfs/dbraw/zinc/24/98/85/559249885.db2.gz XZNFBXWDYQKRSC-UHFFFAOYSA-N 0 0 400.931 4.818 50 0 HJAARN COc1ccc(OCC(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)cc1 ZINC000005136949 559250042 /nfs/dbraw/zinc/25/00/42/559250042.db2.gz BFVVAQVPHQJZCX-UHFFFAOYSA-N 0 0 416.930 4.518 50 0 HJAARN Cc1cccc(C(=O)N(Cc2cccnc2)c2nc3cc4c(cc3s2)OCCO4)c1 ZINC000005142253 559251906 /nfs/dbraw/zinc/25/19/06/559251906.db2.gz XQFFEMLFOUSADU-UHFFFAOYSA-N 0 0 417.490 4.618 50 0 HJAARN COc1ccccc1CNC(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12 ZINC000005146537 559252615 /nfs/dbraw/zinc/25/26/15/559252615.db2.gz BJMJLISMUIRDBA-UHFFFAOYSA-N 0 0 411.914 4.584 50 0 HJAARN CC[C@H](C)OC(=O)c1c(N)n(Cc2ccc(Cl)cc2)c2nc3ccccc3nc12 ZINC000005150820 559253733 /nfs/dbraw/zinc/25/37/33/559253733.db2.gz SDKYYCZGBCJGOB-ZDUSSCGKSA-N 0 0 408.889 4.824 50 0 HJAARN COc1cccc2c1ccn2CC(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000252489675 559277539 /nfs/dbraw/zinc/27/75/39/559277539.db2.gz JWICPHDUAPWQPO-JOCHJYFZSA-N 0 0 424.504 4.626 50 0 HJAARN CCOc1ccc(-c2nnc(S[C@H](C)C(=O)N[C@H]3CCCc4ccccc43)o2)cc1 ZINC000005170161 559287550 /nfs/dbraw/zinc/28/75/50/559287550.db2.gz NPDGFNDSKBFXBT-QRWLVFNGSA-N 0 0 423.538 4.810 50 0 HJAARN COC[C@@H](C)n1c(C)cc(C(=O)CSc2nccn2-c2cccc(F)c2)c1C ZINC000005178174 559289171 /nfs/dbraw/zinc/28/91/71/559289171.db2.gz SANFQLFYQKMRES-OAHLLOKOSA-N 0 0 401.507 4.612 50 0 HJAARN C[C@H]1CCCCN1C(=O)COC(=O)c1oc2ccccc2c1COc1ccccc1 ZINC000005185147 559290616 /nfs/dbraw/zinc/29/06/16/559290616.db2.gz CMLUNZPFZLDEOD-KRWDZBQOSA-N 0 0 407.466 4.570 50 0 HJAARN COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccccc2OC)cc1 ZINC000005186065 559290801 /nfs/dbraw/zinc/29/08/01/559290801.db2.gz RBPXPQXCSJAWJI-LCUIJRPUSA-N 0 0 400.434 4.935 50 0 HJAARN O=C(Nn1c(=O)c2ccccc2nc1-c1cccc(Cl)c1)c1ccccc1Cl ZINC000005199165 559292340 /nfs/dbraw/zinc/29/23/40/559292340.db2.gz WKMYUKNZKWHMDN-UHFFFAOYSA-N 0 0 410.260 4.754 50 0 HJAARN CCc1ccc(C(=O)Nn2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000005199234 559292489 /nfs/dbraw/zinc/29/24/89/559292489.db2.gz QRYYDGWRPQZZNA-UHFFFAOYSA-N 0 0 403.869 4.663 50 0 HJAARN Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)Oc2ccccc2)cc1 ZINC000001031243 560180272 /nfs/dbraw/zinc/18/02/72/560180272.db2.gz SEMUCWLHHNXURP-QHCPKHFHSA-N 0 0 413.477 4.815 50 0 biogenic,in-vitro HJAARN CCCc1cc(-c2nc(C)c(-c3nn4c(nnc4C(F)(F)F)s3)s2)ccn1 ZINC000061719334 560536108 /nfs/dbraw/zinc/53/61/08/560536108.db2.gz SZMCJRRMCQCSPR-UHFFFAOYSA-N 0 0 410.450 4.651 50 0 HJAARN Cc1ccc(/C=C2\SC(=O)N(CNc3ccc(Br)cc3)C2=O)cc1 ZINC000033921339 560538850 /nfs/dbraw/zinc/53/88/50/560538850.db2.gz WEYSCLRCLWXVTK-YBEGLDIGSA-N 0 0 403.301 4.863 50 0 HJAARN COc1ccc(-c2c(NC(=O)c3ccccc3)oc3ccccc3c2=O)cc1OC ZINC000005205290 560539153 /nfs/dbraw/zinc/53/91/53/560539153.db2.gz HAZZZYSNYMEVJN-UHFFFAOYSA-N 0 0 401.418 4.730 50 0 HJAARN O=C(C=Cc1ccc(Cl)cc1)Nn1c(=O)c2ccccc2nc1-c1cccs1 ZINC000005205956 560539466 /nfs/dbraw/zinc/53/94/66/560539466.db2.gz XCDLGGSRMPUCTM-FMIVXFBMSA-N 0 0 407.882 4.562 50 0 aggregator HJAARN O=C(O[C@@H]1CCCCC1=O)c1ccc(COc2ccccc2Br)cc1 ZINC000061756699 560544470 /nfs/dbraw/zinc/54/44/70/560544470.db2.gz WBQSANHXHWZWKI-LJQANCHMSA-N 0 0 403.272 4.697 50 0 HJAARN COc1ccc(C)cc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1ccc(C)cc1 ZINC000005223670 560545589 /nfs/dbraw/zinc/54/55/89/560545589.db2.gz HMQMNHTVLHLPDB-UHFFFAOYSA-N 0 0 419.529 4.869 50 0 HJAARN Cc1ccccc1OCCCn1c(CCCNC(=O)c2ccco2)nc2ccccc21 ZINC000005235820 560548322 /nfs/dbraw/zinc/54/83/22/560548322.db2.gz YDMNDGLRTXOEHP-UHFFFAOYSA-N 0 0 417.509 4.769 50 0 HJAARN COc1ccc2nc(N(Cc3ccccn3)C(=O)CCOc3ccccc3)sc2c1 ZINC000005265122 560553398 /nfs/dbraw/zinc/55/33/98/560553398.db2.gz SKHGSSLZKCBWBM-UHFFFAOYSA-N 0 0 419.506 4.702 50 0 HJAARN COc1ccc2sc(N(Cc3ccccn3)C(=O)CCc3ccccc3)nc2c1 ZINC000005264998 560553413 /nfs/dbraw/zinc/55/34/13/560553413.db2.gz MFQDJAPSFHCRGZ-UHFFFAOYSA-N 0 0 403.507 4.866 50 0 HJAARN CCn1cc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)c(C)n1 ZINC000147164195 560556165 /nfs/dbraw/zinc/55/61/65/560556165.db2.gz KQSUPNWTORYXDA-AFFJKGHMSA-N 0 0 412.618 4.969 50 0 HJAARN CCCCCOC(=O)CSc1nc(-c2ccccc2)nc2c1COC(C)(C)C2 ZINC000005269251 560560245 /nfs/dbraw/zinc/56/02/45/560560245.db2.gz UIXWEUUINOBVNW-UHFFFAOYSA-N 0 0 400.544 4.820 50 0 HJAARN O=C(c1ccccc1Br)N1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O ZINC000001027441 560561654 /nfs/dbraw/zinc/56/16/54/560561654.db2.gz YIFHNMYMQUJLEY-ZROIWOOFSA-N 0 0 422.687 4.979 50 0 HJAARN COc1ccc(C(C)=O)cc1Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O ZINC000005291326 560562083 /nfs/dbraw/zinc/56/20/83/560562083.db2.gz KKXKOUWGZALNGR-UHFFFAOYSA-N 0 0 404.491 4.693 50 0 HJAARN Cc1ccc(-n2ncc3c2ncnc3SCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000005296067 560562340 /nfs/dbraw/zinc/56/23/40/560562340.db2.gz VMVMWFZSOXCQRZ-UHFFFAOYSA-N 0 0 409.902 4.508 50 0 HJAARN Cc1ccc(NC(=O)c2cc3cccnc3n(Cc3ccccc3)c2=O)cc1Cl ZINC000005304467 560562990 /nfs/dbraw/zinc/56/29/90/560562990.db2.gz WPPVSSIAIBZHCP-UHFFFAOYSA-N 0 0 403.869 4.659 50 0 HJAARN CCn1c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)nnc1-c1ccc(Cl)cc1 ZINC000005309485 560563811 /nfs/dbraw/zinc/56/38/11/560563811.db2.gz TVZAKGCUDUBVNF-GRDNDAEWSA-N 0 0 406.983 4.651 50 0 HJAARN Cc1cccc(C)c1/N=c1\scc(-c2cccs2)n1CCCN1CCOCC1 ZINC000005299009 560564038 /nfs/dbraw/zinc/56/40/38/560564038.db2.gz PHRNXSYTNBGMBL-FCQUAONHSA-N 0 0 413.612 4.850 50 0 HJAARN CCCCc1cc(=O)oc2c1ccc1c2CN(Cc2ccc(OC)c(OC)c2)CO1 ZINC000061997733 560565173 /nfs/dbraw/zinc/56/51/73/560565173.db2.gz YLZHRUDEPKABMG-UHFFFAOYSA-N 0 0 409.482 4.505 50 0 biogenic HJAARN COc1ccc(-c2nnc(SC[C@H]3CCCCO3)n2CCc2ccccc2)cc1 ZINC000005326166 560565368 /nfs/dbraw/zinc/56/53/68/560565368.db2.gz MOXFCTABPBOWGU-OAQYLSRUSA-N 0 0 409.555 4.858 50 0 HJAARN Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccccc1)N(c1ccccn1)C3=O ZINC000005321701 560568311 /nfs/dbraw/zinc/56/83/11/560568311.db2.gz KKSDJTKTOFWLCL-FQEVSTJZSA-N 0 0 402.837 4.900 50 0 HJAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccco2)N1c1nc2ccccc2s1 ZINC000005322704 560568551 /nfs/dbraw/zinc/56/85/51/560568551.db2.gz WFYASABIUMLSFK-GOSISDBHSA-N 0 0 400.415 4.746 50 0 HJAARN COCCCNC(=O)CCc1c(C)c2cc3c(C(C)(C)C)coc3c(C)c2oc1=O ZINC000005345718 560570026 /nfs/dbraw/zinc/57/00/26/560570026.db2.gz KBLDRPWJZJRJAE-UHFFFAOYSA-N 0 0 413.514 4.539 50 0 HJAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCc1cccnc1)occ3C(C)(C)C ZINC000005345895 560570105 /nfs/dbraw/zinc/57/01/05/560570105.db2.gz SSMLTWJJSZPSNS-UHFFFAOYSA-N 0 0 418.493 4.789 50 0 HJAARN O=C(COc1ccc2c(c1)occ(-c1ccccc1)c2=O)NCCC1=CCCCC1 ZINC000005346448 560570309 /nfs/dbraw/zinc/57/03/09/560570309.db2.gz VFEOUSVYHSLZGB-UHFFFAOYSA-N 0 0 403.478 4.846 50 0 biogenic HJAARN Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)NCc3cccnc3)c(=O)oc12 ZINC000005349151 560571248 /nfs/dbraw/zinc/57/12/48/560571248.db2.gz DQPBUKFZVBNRAU-UHFFFAOYSA-N 0 0 418.493 4.707 50 0 HJAARN C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N1c2ccccc2C[C@H]1C ZINC000005359313 560571516 /nfs/dbraw/zinc/57/15/16/560571516.db2.gz RNJRHZHCYYOFHI-KGLIPLIRSA-N 0 0 410.568 4.800 50 0 HJAARN CCOc1ccccc1NC(=O)[C@H](Oc1ccc(-c2nnco2)cc1)c1ccccc1 ZINC000005429305 560586540 /nfs/dbraw/zinc/58/65/40/560586540.db2.gz UYNJUGVORJAXPN-JOCHJYFZSA-N 0 0 415.449 4.894 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1Nc1ccccc1 ZINC000003234584 560590243 /nfs/dbraw/zinc/59/02/43/560590243.db2.gz UOYLNQLXYSCVDE-UHFFFAOYSA-N 0 0 410.857 4.888 50 0 HJAARN Cc1cccc2c(=O)c(-c3ccc4c(c3)OCO4)c(NC(=O)c3cccs3)oc12 ZINC000005451290 560590292 /nfs/dbraw/zinc/59/02/92/560590292.db2.gz WATVYZVLAWBKAT-UHFFFAOYSA-N 0 0 405.431 4.811 50 0 HJAARN O=C(/C=C/c1ccc(Cl)cc1Cl)OCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000003269892 560591075 /nfs/dbraw/zinc/59/10/75/560591075.db2.gz JMPYFOZQQBMJCH-KRXBUXKQSA-N 0 0 416.207 4.790 50 0 HJAARN O=C(COC(=O)c1ccccc1OCc1ccc(F)cc1)c1c[nH]c2ccccc21 ZINC000003303564 560591790 /nfs/dbraw/zinc/59/17/90/560591790.db2.gz UYVOGFNVQUNPMT-UHFFFAOYSA-N 0 0 403.409 4.926 50 0 HJAARN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cccc3ccccc32)cc1 ZINC000005468268 560592340 /nfs/dbraw/zinc/59/23/40/560592340.db2.gz QZWRQGQQQZIREJ-UHFFFAOYSA-N 0 0 410.539 4.903 50 0 HJAARN CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(OC(F)F)cc3)n2)cc1 ZINC000003325849 560592533 /nfs/dbraw/zinc/59/25/33/560592533.db2.gz AXPNPRXWVFYUGR-UHFFFAOYSA-N 0 0 403.410 4.622 50 0 HJAARN CCc1ccc(Nc2nnc(SCC(=O)NCCC3=CCCCC3)s2)cc1 ZINC000003461198 560595523 /nfs/dbraw/zinc/59/55/23/560595523.db2.gz JCRUZLHZRAKNEO-UHFFFAOYSA-N 0 0 402.589 4.943 50 0 HJAARN C/C(=C\c1ccccc1)[C@]1(C(=O)NC2CCCC2)CC(=O)N1c1ccc(C)cc1C ZINC000005483221 560596439 /nfs/dbraw/zinc/59/64/39/560596439.db2.gz MOUPTDCVRGSAEH-WFTVZMDTSA-N 0 0 402.538 4.941 50 0 HJAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccnc2)N1Cc1ccccc1Cl ZINC000005516519 560604498 /nfs/dbraw/zinc/60/44/98/560604498.db2.gz IQVFMWCWYHXLLT-FQEVSTJZSA-N 0 0 402.837 4.587 50 0 HJAARN CC(=O)c1cccc(NC(=O)C(=Cc2cccs2)NC(=O)c2ccc(C)cc2)c1 ZINC000004852268 560611650 /nfs/dbraw/zinc/61/16/50/560611650.db2.gz OBFPVXSRGKNPNX-KGENOOAVSA-N 0 0 404.491 4.669 50 0 HJAARN O=C(COC(=O)c1ccccc1Nc1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000004871631 560614282 /nfs/dbraw/zinc/61/42/82/560614282.db2.gz TYZRMVWSJHHRAA-UHFFFAOYSA-N 0 0 404.510 4.672 50 0 HJAARN CCCn1c(=O)c2ccc(Cl)cc2nc1S[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000005568413 560616240 /nfs/dbraw/zinc/61/62/40/560616240.db2.gz SVEVDYCEQJCGGF-AWEZNQCLSA-N 0 0 415.946 4.604 50 0 HJAARN CC(C)c1ccc(-n2nnnc2S[C@H](C(=O)N2CCCCC2)c2ccccc2)cc1 ZINC000005562418 560618616 /nfs/dbraw/zinc/61/86/16/560618616.db2.gz PAHMWGYASNKFJD-NRFANRHFSA-N 0 0 421.570 4.632 50 0 HJAARN CCOc1ccc(-c2cn3c(CC(=O)N4c5ccccc5C[C@H]4C)csc3n2)cc1 ZINC000005146982 560624344 /nfs/dbraw/zinc/62/43/44/560624344.db2.gz AWHHEGMARFOWOH-MRXNPFEDSA-N 0 0 417.534 4.982 50 0 HJAARN CC(=O)CCCSc1nc(-n2nc(C)cc2C)nc2sc3c(c21)CCCC3 ZINC000005576599 560624610 /nfs/dbraw/zinc/62/46/10/560624610.db2.gz XBHOEZZPPLTSPB-UHFFFAOYSA-N 0 0 400.573 4.834 50 0 HJAARN Cc1ccc(NC(=O)CSc2ccc3c(c2)OCCCO3)c(Br)c1 ZINC000005365893 560626097 /nfs/dbraw/zinc/62/60/97/560626097.db2.gz HZLRJFRUDUVNNC-UHFFFAOYSA-N 0 0 408.317 4.650 50 0 HJAARN CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccccc1OC(F)F ZINC000005585653 560627776 /nfs/dbraw/zinc/62/77/76/560627776.db2.gz VNDCGFWBMOOJHE-SFHVURJKSA-N 0 0 418.465 4.561 50 0 HJAARN Cc1cccc(C(C)C)c1NC(=O)COC(=O)/C=C/c1ccc(Br)o1 ZINC000006066310 560628804 /nfs/dbraw/zinc/62/88/04/560628804.db2.gz LNVXAECAQUEMGT-CSKARUKUSA-N 0 0 406.276 4.669 50 0 HJAARN COc1cc2nc(C(Cl)=Cc3ccc(Cl)c(Cl)c3)[nH]c(=O)c2cc1OC ZINC000006210610 560629826 /nfs/dbraw/zinc/62/98/26/560629826.db2.gz LORWFQGNLWVJNF-MLPAPPSSSA-N 0 0 411.672 4.984 50 0 HJAARN CCOC(=O)c1ccc(NC(=O)CSc2ncc(-c3ccc(C)c(C)c3)o2)cc1 ZINC000017306532 560707351 /nfs/dbraw/zinc/70/73/51/560707351.db2.gz QFCHMJVPLGSNCQ-UHFFFAOYSA-N 0 0 410.495 4.866 50 0 HJAARN Cc1cc(OCC(=O)Nc2ccc(Br)cc2)cc(C)c1Br ZINC000000627890 560724891 /nfs/dbraw/zinc/72/48/91/560724891.db2.gz IYZVDGGMUROLAU-UHFFFAOYSA-N 0 0 413.109 4.846 50 0 HJAARN COC(=O)c1c(NC(=O)c2cccc(Br)c2)sc2c1CCCCC2 ZINC000000669659 560725059 /nfs/dbraw/zinc/72/50/59/560725059.db2.gz ZFEJEXAPTXKFPZ-UHFFFAOYSA-N 0 0 408.317 4.818 50 0 HJAARN COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](c2ccccc2)C=C[C@H]3c2ccccc2)cc1 ZINC000017747619 560725373 /nfs/dbraw/zinc/72/53/73/560725373.db2.gz LXUKXGWYVAEBLK-UCDDGIFISA-N 0 0 409.485 4.938 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)CSCc1cccc(Br)c1 ZINC000000754781 560725606 /nfs/dbraw/zinc/72/56/06/560725606.db2.gz MWTMBEIQGTTWAH-UHFFFAOYSA-N 0 0 400.725 4.983 50 0 HJAARN COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)c1 ZINC000001208014 560727815 /nfs/dbraw/zinc/72/78/15/560727815.db2.gz OGMXFQBKBRCGRB-UHFFFAOYSA-N 0 0 406.463 4.938 50 0 HJAARN C[C@@H](OC(=O)CCCc1c[nH]c2ccccc12)C(=O)Nc1ccc(F)cc1Cl ZINC000006376082 560728276 /nfs/dbraw/zinc/72/82/76/560728276.db2.gz JALDASHADMKNAI-CYBMUJFWSA-N 0 0 402.853 4.854 50 0 HJAARN Cc1cc(=O)oc2cc(OCC(=O)N[C@H](C)c3ccc(Cl)c(Cl)c3)ccc12 ZINC000017963063 560732179 /nfs/dbraw/zinc/73/21/79/560732179.db2.gz DHOJOHVIDLVQGP-GFCCVEGCSA-N 0 0 406.265 4.664 50 0 HJAARN Cc1nc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3)n2CC(C)C)sc1C ZINC000008365430 560754432 /nfs/dbraw/zinc/75/44/32/560754432.db2.gz DNCZIMKUJLMBPU-OAHLLOKOSA-N 0 0 415.588 4.794 50 0 HJAARN O=C(Nc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1)c1cccs1 ZINC000009113817 560757558 /nfs/dbraw/zinc/75/75/58/560757558.db2.gz FUGNLDWMAZPINB-UHFFFAOYSA-N 0 0 415.927 4.781 50 0 HJAARN CSc1ncccc1C(=O)N(C/C=C\c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000097994358 560758702 /nfs/dbraw/zinc/75/87/02/560758702.db2.gz DVDBHHCTBVHMFE-TWGQIWQCSA-N 0 0 418.518 4.935 50 0 HJAARN COc1cccc(OC)c1C(=O)OCC(=O)Nc1ccccc1Sc1ccccc1 ZINC000011136757 560771590 /nfs/dbraw/zinc/77/15/90/560771590.db2.gz GHPKLUBVCIXLHO-UHFFFAOYSA-N 0 0 423.490 4.651 50 0 HJAARN COc1ccc([C@@H]2CCCCCN2C(=O)CCc2cnn(-c3ccccc3)c2)cc1 ZINC000024392319 560773028 /nfs/dbraw/zinc/77/30/28/560773028.db2.gz IYQJUWXDPWJJQY-DEOSSOPVSA-N 0 0 403.526 4.957 50 0 HJAARN C[C@@H]1CCc2sc(C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)cc2C1 ZINC000018039521 560773770 /nfs/dbraw/zinc/77/37/70/560773770.db2.gz OAVDIQADDOMXEP-LLVKDONJSA-N 0 0 411.354 4.890 50 0 HJAARN COc1ccc([C@@H](CNC(=O)COc2ccc(F)cc2)c2c[nH]c3ccccc32)cc1 ZINC000018074450 560774728 /nfs/dbraw/zinc/77/47/28/560774728.db2.gz WSTNPRBXAYBNJQ-JOCHJYFZSA-N 0 0 418.468 4.643 50 0 HJAARN O=C(NCCc1cccc(Cl)c1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000018106094 560775790 /nfs/dbraw/zinc/77/57/90/560775790.db2.gz SCBQALKIVYQOKZ-UHFFFAOYSA-N 0 0 420.940 4.704 50 0 HJAARN CC(C)(C)c1ccc(OCCNC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)cc1 ZINC000018151245 560780056 /nfs/dbraw/zinc/78/00/56/560780056.db2.gz LQXJJWYSUMCONU-UHFFFAOYSA-N 0 0 413.518 4.780 50 0 HJAARN Cc1nc(COc2ccccc2C(=O)Nc2ccc(Br)cc2Cl)no1 ZINC000014775217 560781360 /nfs/dbraw/zinc/78/13/60/560781360.db2.gz WOSYBEFCEDVWDJ-UHFFFAOYSA-N 0 0 422.666 4.625 50 0 HJAARN COc1cccc(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccc(N(C)C)cc2)c1 ZINC000005688246 560784066 /nfs/dbraw/zinc/78/40/66/560784066.db2.gz YBWIORUJQIYAKC-HSZRJFAPSA-N 0 0 413.521 4.804 50 0 HJAARN COc1ccc(-c2nnc(SC[C@@H](O)c3ccccc3)n2-c2ccccc2)cc1 ZINC000005691679 560786186 /nfs/dbraw/zinc/78/61/86/560786186.db2.gz AEDQQBAZOUWVRU-OAQYLSRUSA-N 0 0 403.507 4.769 50 0 HJAARN COc1cccc(C(=O)Nc2cc(I)ccc2C(F)(F)F)c1 ZINC000012856801 560787146 /nfs/dbraw/zinc/78/71/46/560787146.db2.gz HJEHEGSKZFMSHR-UHFFFAOYSA-N 0 0 421.156 4.571 50 0 HJAARN Cc1ccc(-n2nc3c4cc(C(=O)N[C@@H](C)c5ccccc5)ccc4[nH]cc-3c2=O)cc1 ZINC000101281885 560790364 /nfs/dbraw/zinc/79/03/64/560790364.db2.gz IUHOFVWUTXUWMY-KRWDZBQOSA-N 0 0 422.488 4.618 50 0 HJAARN Cn1c(=O)c(C2=Nc3ccccc3S[C@@H](c3ccc(F)cc3)C2)c([O-])[nH]c1=S ZINC000101495097 560796130 /nfs/dbraw/zinc/79/61/30/560796130.db2.gz UIBNIKKPNKSPLI-MRXNPFEDSA-N 0 0 413.499 4.645 50 0 HJAARN COCCN(CCOC)c1nc(-c2cccnc2)nc2scc(-c3ccccc3)c21 ZINC000005702647 560798102 /nfs/dbraw/zinc/79/81/02/560798102.db2.gz KJWBFSHXXDISQZ-UHFFFAOYSA-N 0 0 420.538 4.520 50 0 HJAARN CCNC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C(C)C ZINC000050407358 560807685 /nfs/dbraw/zinc/80/76/85/560807685.db2.gz DDTWWKKOVVFFNN-UHFFFAOYSA-N 0 0 410.493 4.958 50 0 HJAARN O=C(CN1c2ccccc2N=C(c2ccccc2)CC1=O)Nc1cccc(Cl)c1 ZINC000102529205 560812984 /nfs/dbraw/zinc/81/29/84/560812984.db2.gz OXACFMMYNAROKK-UHFFFAOYSA-N 0 0 403.869 4.836 50 0 HJAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(F)cc3)C(=O)C2)cc1 ZINC000102529464 560813008 /nfs/dbraw/zinc/81/30/08/560813008.db2.gz KXJPKFCSXLULTF-UHFFFAOYSA-N 0 0 401.441 4.630 50 0 HJAARN CSc1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4O)CC3=Nc3ncnn32)cc1 ZINC000102597275 560817650 /nfs/dbraw/zinc/81/76/50/560817650.db2.gz AOIRXVZAKUNURP-QKKBWIMNSA-N 0 0 404.495 4.771 50 0 HJAARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000102659568 560819176 /nfs/dbraw/zinc/81/91/76/560819176.db2.gz NSWIYRJHAPRBRX-KBXCAEBGSA-N 0 0 424.884 4.664 50 0 HJAARN O=C1CCCC2=Nc3nc(SCc4ccccc4)nn3[C@H](c3ccc(O)cc3)C12 ZINC000102674359 560819574 /nfs/dbraw/zinc/81/95/74/560819574.db2.gz DAWGHHNQPFWDRU-HXUWFJFHSA-N 0 0 404.495 4.948 50 0 HJAARN O=CN(CCCC[C@@H]1C(=O)N[C@@H]2CCCC[C@@H]2[C@@H]1c1ccccc1)c1ccccc1 ZINC000102679333 560821067 /nfs/dbraw/zinc/82/10/67/560821067.db2.gz HSUJEVIVQKZGOF-JBXUNAHCSA-N 0 0 404.554 4.908 50 0 HJAARN CC(C)C[C@@H]1[C@H]2C(=O)N(c3c(Cl)cccc3Cl)C(=O)[C@@H]2ON1c1ccccc1 ZINC000102728418 560822053 /nfs/dbraw/zinc/82/20/53/560822053.db2.gz KAEVMPMHCQRLOG-ZHALLVOQSA-N 0 0 419.308 4.718 50 0 HJAARN COc1ccc([C@@H]2Nc3nonc3N=C3C[C@H](c4cccs4)CC(=O)C32)c(OC)c1 ZINC000102738491 560824810 /nfs/dbraw/zinc/82/48/10/560824810.db2.gz PXVWUDVTKJICNL-WLRWDXFRSA-N 0 0 424.482 4.777 50 0 HJAARN COc1ccc([C@@H]2CC(c3ccc(Cl)cc3OC(F)F)=Nc3ncnn32)cc1 ZINC000102799983 560828353 /nfs/dbraw/zinc/82/83/53/560828353.db2.gz GJQOGERLYQJKDI-INIZCTEOSA-N 0 0 404.804 4.598 50 0 HJAARN Clc1ccc2c(c1)[C@@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@H](c1ccncc1)O2 ZINC000102907232 560835147 /nfs/dbraw/zinc/83/51/47/560835147.db2.gz SXCXSEUNERFHMP-AVRDEDQJSA-N 0 0 405.841 4.706 50 0 HJAARN Cc1cc(C)n([C@H](C)CCNC(=O)c2cc(C)nc3onc(-c4ccc(F)cc4)c32)n1 ZINC000036617433 560882358 /nfs/dbraw/zinc/88/23/58/560882358.db2.gz CUHYBYAQQZTATP-OAHLLOKOSA-N 0 0 421.476 4.532 50 0 HJAARN Cc1nnc(SCC(=O)Nc2cccc(Cl)c2C)n1-c1cccc(Cl)c1 ZINC000004994069 560882881 /nfs/dbraw/zinc/88/28/81/560882881.db2.gz YUEZOAZOLVHAKT-UHFFFAOYSA-N 0 0 407.326 4.922 50 0 HJAARN Cc1nn(-c2ccccc2)c2c1[P@H](=O)C(=C1N(C)c3ccccc3C1(C)C)C=N2 ZINC000003195237 560886559 /nfs/dbraw/zinc/88/65/59/560886559.db2.gz RPRZUGQJEVHIMN-XUTLUUPISA-N 0 0 402.438 4.721 50 0 HJAARN Cc1cc(C)cc(OCCSc2nc3ccccc3n2CC(=O)N2CCCCC2)c1 ZINC000012062345 560888302 /nfs/dbraw/zinc/88/83/02/560888302.db2.gz UIAIADMTSFIAQS-UHFFFAOYSA-N 0 0 423.582 4.837 50 0 HJAARN COc1cccc(-c2ccc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)nn2)c1 ZINC000012140490 560890244 /nfs/dbraw/zinc/89/02/44/560890244.db2.gz KUWDNGKUYBONFZ-UHFFFAOYSA-N 0 0 419.428 4.902 50 0 HJAARN Cn1cc(OCc2ccc(F)cc2)c(=O)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000012166907 560890607 /nfs/dbraw/zinc/89/06/07/560890607.db2.gz ADYHPBDCMWNGBM-UHFFFAOYSA-N 0 0 421.255 4.663 50 0 HJAARN COc1ccc(NC(=O)c2cc(C(C)C)n(-c3nc4ccccc4s3)n2)cc1OC ZINC000012223570 560893697 /nfs/dbraw/zinc/89/36/97/560893697.db2.gz CGWZMUOUXBBELK-UHFFFAOYSA-N 0 0 422.510 4.875 50 0 HJAARN CCOc1cc(Nc2ccc(NC(=O)c3c(F)cccc3Cl)cc2)nc(C)n1 ZINC000012225427 560894075 /nfs/dbraw/zinc/89/40/75/560894075.db2.gz FQUMUEYQIZIAML-UHFFFAOYSA-N 0 0 400.841 4.972 50 0 HJAARN COc1ccc(Br)c(C(=O)N2CCS[C@@H](c3ccccc3)CC2)c1 ZINC000211139372 560895078 /nfs/dbraw/zinc/89/50/78/560895078.db2.gz QIGCCKGDPZXDNQ-GOSISDBHSA-N 0 0 406.345 4.778 50 0 HJAARN COc1ccccc1[C@@H]1C[C@H]1C(=O)N([C@H](C)c1ccc2c(c1)OCCCO2)C1CC1 ZINC000107047410 560895184 /nfs/dbraw/zinc/89/51/84/560895184.db2.gz YJIBVAVZLRYIHI-TYCQWZJGSA-N 0 0 407.510 4.712 50 0 HJAARN C[C@H](c1cccnc1)N(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)C1CC1 ZINC000108144673 560897979 /nfs/dbraw/zinc/89/79/79/560897979.db2.gz VCMTWPFZVRWBHK-OXQOHEQNSA-N 0 0 420.538 4.639 50 0 HJAARN O=C(c1ccc(F)cc1Cl)N1CCC(Cc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000169754723 568417683 /nfs/dbraw/zinc/41/76/83/568417683.db2.gz PGXUCRAWYDLKPE-UHFFFAOYSA-N 0 0 417.843 4.763 50 0 HJAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000045942703 568422569 /nfs/dbraw/zinc/42/25/69/568422569.db2.gz OZDXHZCLAZICML-NRFANRHFSA-N 0 0 406.869 4.796 50 0 HJAARN COc1cccc(NC(=O)COc2ccccc2-c2nc(-c3ccc(C)cc3)no2)c1 ZINC000046012148 568423386 /nfs/dbraw/zinc/42/33/86/568423386.db2.gz VILFEZFMJKCEBA-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)c1 ZINC000046018735 568423870 /nfs/dbraw/zinc/42/38/70/568423870.db2.gz JZQVCSZVYJLAAY-UHFFFAOYSA-N 0 0 415.449 4.982 50 0 HJAARN Cc1ccc(N(Cc2nc3nc(C)c(Cl)c(C)n3n2)C(=O)C2CCCCC2)cc1 ZINC000046020714 568424083 /nfs/dbraw/zinc/42/40/83/568424083.db2.gz AMUDISWFUHPOGO-UHFFFAOYSA-N 0 0 411.937 4.816 50 0 HJAARN CCCCN(CCCC)C(=O)CSc1nc2sc3c(c2c(N)n1)CC[C@H](C)C3 ZINC000004935108 568424393 /nfs/dbraw/zinc/42/43/93/568424393.db2.gz SXYYWKKTXHBSRY-AWEZNQCLSA-N 0 0 420.648 4.919 50 0 HJAARN O=C(NCc1cccc(Cl)c1)[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000046043990 568424857 /nfs/dbraw/zinc/42/48/57/568424857.db2.gz RBKMVPALFZKSGS-INIZCTEOSA-N 0 0 424.850 4.527 50 0 HJAARN Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)c1C ZINC000046044075 568424990 /nfs/dbraw/zinc/42/49/90/568424990.db2.gz PDNGRNQXZUIWHS-QGZVFWFLSA-N 0 0 404.432 4.813 50 0 HJAARN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)Cc3cccc4ccccc43)C2)c(C)c1 ZINC000046045146 568425039 /nfs/dbraw/zinc/42/50/39/568425039.db2.gz FDRYNUYPBXARNB-QFIPXVFZSA-N 0 0 400.522 4.876 50 0 HJAARN COc1cccc(Cn2cc(C(=O)c3cc(C)ccc3C)c(=O)c3ccc(C)nc32)c1 ZINC000046053768 568425512 /nfs/dbraw/zinc/42/55/12/568425512.db2.gz WAZQPYHHERIVSG-UHFFFAOYSA-N 0 0 412.489 4.610 50 0 HJAARN Cc1ccc(Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3ccc(C)nc32)c(C)c1 ZINC000046053819 568425610 /nfs/dbraw/zinc/42/56/10/568425610.db2.gz HKDCCOMCDGIOAM-UHFFFAOYSA-N 0 0 400.453 4.740 50 0 HJAARN CCOc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)cc1 ZINC000046056621 568425846 /nfs/dbraw/zinc/42/58/46/568425846.db2.gz WYXLSBNMCOODPF-GOSISDBHSA-N 0 0 423.900 4.850 50 0 HJAARN COc1ccc(OC)c(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)c1 ZINC000046078469 568427424 /nfs/dbraw/zinc/42/74/24/568427424.db2.gz AZAPSFWJWNVNAN-UHFFFAOYSA-N 0 0 416.477 4.549 50 0 HJAARN COc1ccc(-c2cc(C(=O)Nc3nc4ccc(Cl)cc4s3)no2)cc1OC ZINC000046086891 568428157 /nfs/dbraw/zinc/42/81/57/568428157.db2.gz PWKCKBLZJPHUOF-UHFFFAOYSA-N 0 0 415.858 4.874 50 0 HJAARN Cc1ccc(S(=O)(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)c2cccnc12 ZINC000048235984 568432936 /nfs/dbraw/zinc/43/29/36/568432936.db2.gz BGUOUYNVWBTMMD-UHFFFAOYSA-N 0 0 420.456 4.915 50 0 HJAARN Cc1ccc(NC(=O)N(C[C@H]2CCCO2)C[C@@H]2CCCO2)c(OCc2ccccc2)c1 ZINC000048262471 568433713 /nfs/dbraw/zinc/43/37/13/568433713.db2.gz QHNVENLOLZWYSE-SZPZYZBQSA-N 0 0 424.541 4.766 50 0 HJAARN CCCOc1cc(C)ccc1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC000048290277 568435118 /nfs/dbraw/zinc/43/51/18/568435118.db2.gz CCCGCTRJANFAEN-UHFFFAOYSA-N 0 0 411.452 4.989 50 0 HJAARN Cc1ccc(C)c(C(=O)N2CCCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 ZINC000048278074 568435802 /nfs/dbraw/zinc/43/58/02/568435802.db2.gz DBWNTCQNGKLPDT-UHFFFAOYSA-N 0 0 411.855 4.723 50 0 HJAARN CCn1cnnc1CNc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c21 ZINC000048286388 568436111 /nfs/dbraw/zinc/43/61/11/568436111.db2.gz ABENBOFFYROBKX-UHFFFAOYSA-N 0 0 413.510 4.644 50 0 HJAARN Cc1cc(Br)ccc1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364561 568438237 /nfs/dbraw/zinc/43/82/37/568438237.db2.gz LOOWIZSBIYUCPH-QGZVFWFLSA-N 0 0 423.310 4.916 50 0 HJAARN CC(C)Cn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nc2ccccc2c1=O ZINC000051364622 568438651 /nfs/dbraw/zinc/43/86/51/568438651.db2.gz NMIKTPRAUXLMBV-UHFFFAOYSA-N 0 0 409.555 4.907 50 0 HJAARN CCc1nc(CN2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cs1 ZINC000048312680 568439031 /nfs/dbraw/zinc/43/90/31/568439031.db2.gz JWQBVJKMKCHWCE-UHFFFAOYSA-N 0 0 419.594 4.572 50 0 HJAARN CCOC(=O)/C=C/c1ccc(NC(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000048332550 568439131 /nfs/dbraw/zinc/43/91/31/568439131.db2.gz ZUQKCWISAMTZLP-PBAKHKOTSA-N 0 0 424.497 4.649 50 0 HJAARN O=C(c1cccc(CS(=O)(=O)c2ccccc2)c1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000048354690 568441130 /nfs/dbraw/zinc/44/11/30/568441130.db2.gz ATLVPWCZVDKBHC-QHCPKHFHSA-N 0 0 423.509 4.777 50 0 HJAARN Cc1ccc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(C(C)C)c(=O)c32)cc1C ZINC000048988156 568444053 /nfs/dbraw/zinc/44/40/53/568444053.db2.gz WLDVRJBGXGFFIA-UHFFFAOYSA-N 0 0 414.509 4.701 50 0 HJAARN CCOc1ccc(Nc2c(C(=O)N3CCC(C)CC3)cnc3nc(C)ccc32)cc1 ZINC000049005454 568444575 /nfs/dbraw/zinc/44/45/75/568444575.db2.gz GKWJCHHOHOLMQI-UHFFFAOYSA-N 0 0 404.514 4.953 50 0 HJAARN O=c1ccn(-c2ccccc2)nc1-c1nc(-c2ccc(OCc3ccccc3)cc2)no1 ZINC000049006318 568444702 /nfs/dbraw/zinc/44/47/02/568444702.db2.gz MRXFPSCEACGYAY-UHFFFAOYSA-N 0 0 422.444 4.529 50 0 HJAARN CC(C)C(=O)Nc1c(-c2ccccn2)nsc1C(=O)NCc1ccc(C(C)C)cc1 ZINC000049007775 568445080 /nfs/dbraw/zinc/44/50/80/568445080.db2.gz AOTJBUVOQYYKRH-UHFFFAOYSA-N 0 0 422.554 4.853 50 0 HJAARN Cc1ccc(-c2noc(-c3cccnc3SCC(=O)Nc3ccccc3F)n2)cc1 ZINC000049407051 568448997 /nfs/dbraw/zinc/44/89/97/568448997.db2.gz XUIPBMRGEQIEJF-UHFFFAOYSA-N 0 0 420.469 4.977 50 0 HJAARN O=C(c1ccccc1C(F)(F)F)N1CCC(Oc2nc3ccccc3s2)CC1 ZINC000049430891 568450954 /nfs/dbraw/zinc/45/09/54/568450954.db2.gz IRBWZLRNWFTCKN-UHFFFAOYSA-N 0 0 406.429 4.999 50 0 HJAARN O=C(/C=C/c1cccs1)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 ZINC000049503880 568452229 /nfs/dbraw/zinc/45/22/29/568452229.db2.gz ZSKZBFPZTWTWEY-ACCUITESSA-N 0 0 424.547 4.542 50 0 HJAARN O=C([C@@H](Sc1n[nH]c(C=Cc2ccc(F)cc2)n1)c1ccccc1)N1CCCC1 ZINC000014897967 568453419 /nfs/dbraw/zinc/45/34/19/568453419.db2.gz WQMGVSYSRRYDMY-YPNIWSFNSA-N 0 0 408.502 4.570 50 0 HJAARN COC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000095837071 568453590 /nfs/dbraw/zinc/45/35/90/568453590.db2.gz BWDRDVHYVJQWBO-DPQRRXGGSA-N 0 0 406.607 4.566 50 0 HJAARN Cc1ccc(C(=O)Nc2cccc(-c3ccc4nnc(-c5ccncc5)n4n3)c2)cc1C ZINC000012237551 568455213 /nfs/dbraw/zinc/45/52/13/568455213.db2.gz NQHXEFZWDSWOTE-UHFFFAOYSA-N 0 0 420.476 4.722 50 0 HJAARN O=C(Nc1ccc(-c2noc(-c3ccccc3Br)n2)cc1)c1ccccn1 ZINC000000623081 568455704 /nfs/dbraw/zinc/45/57/04/568455704.db2.gz QZFWPHZLMPEVEF-UHFFFAOYSA-N 0 0 421.254 4.813 50 0 HJAARN COC(=O)c1c(C)oc2cc(Br)c(OC(=O)c3ccccc3C)cc21 ZINC000000623934 568455762 /nfs/dbraw/zinc/45/57/62/568455762.db2.gz JEWRGNZBFGLVQH-UHFFFAOYSA-N 0 0 403.228 4.818 50 0 HJAARN COC(=O)c1ccc(Cn2cnc3scc(-c4ccc(C)c(C)c4)c3c2=O)cc1 ZINC000000645745 568457166 /nfs/dbraw/zinc/45/71/66/568457166.db2.gz CSKHFUYCQPOLJN-UHFFFAOYSA-N 0 0 404.491 4.577 50 0 HJAARN Cc1c(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)nnn1-c1ccc(C)cc1 ZINC000012274187 568457344 /nfs/dbraw/zinc/45/73/44/568457344.db2.gz VXNPADVKOGNVHX-UHFFFAOYSA-N 0 0 423.929 4.837 50 0 HJAARN C[C@@H]1CC[C@H](C)CN1C(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000000647212 568457348 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COc1ccc(OC)c([C@H]2CC(=O)c3c(C)cc4oc(=O)c5c(c4c3O2)CCCC5)c1 ZINC000012296762 568462377 /nfs/dbraw/zinc/46/23/77/568462377.db2.gz SIZNZQPZGBRDDU-HXUWFJFHSA-N 0 0 420.461 4.704 50 0 biogenic HJAARN CC(C)(C)NC(=O)N(Cc1ccc(F)cc1F)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000006872641 568462806 /nfs/dbraw/zinc/46/28/06/568462806.db2.gz HTNKCJFDCQGXPP-GOSISDBHSA-N 0 0 419.447 4.607 50 0 HJAARN CN(Cc1ccccc1)C(=O)c1cnn2c1N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000000709166 568463654 /nfs/dbraw/zinc/46/36/54/568463654.db2.gz SSCYQUITHMYSFI-NVXWUHKLSA-N 0 0 420.460 4.877 50 0 HJAARN Cc1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(C)c(C)c4)nc3c2)c(C)c1 ZINC000000707548 568463659 /nfs/dbraw/zinc/46/36/59/568463659.db2.gz QZHAKYGRSWXGEP-UHFFFAOYSA-N 0 0 400.482 4.672 50 0 HJAARN CC(C)(C)NC(=O)CSc1nc2ccc(NC(=O)C3CCCCC3)cc2s1 ZINC000000715068 568465755 /nfs/dbraw/zinc/46/57/55/568465755.db2.gz WKAXFYYELLKSDR-UHFFFAOYSA-N 0 0 405.589 4.822 50 0 HJAARN CCOc1cc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)cc(Cl)c1OC(C)=O ZINC000000726031 568467531 /nfs/dbraw/zinc/46/75/31/568467531.db2.gz UOIYCVSDYDMICP-LZYBPNLTSA-N 0 0 420.248 4.662 50 0 HJAARN O=C(CCS[C@@H]1CCc2ccccc2NC1=O)NCCc1c[nH]c2ccccc12 ZINC000012321615 568471088 /nfs/dbraw/zinc/47/10/88/568471088.db2.gz BUYNUHGBEPJARD-OAQYLSRUSA-N 0 0 407.539 4.553 50 0 HJAARN CCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1cccc(F)c1 ZINC000012322602 568471101 /nfs/dbraw/zinc/47/11/01/568471101.db2.gz WQQUDVLGICJFTN-UHFFFAOYSA-N 0 0 414.502 4.739 50 0 HJAARN Cc1ccc(C)n1NC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccccc2Cl)cc1 ZINC000007302002 568478745 /nfs/dbraw/zinc/47/87/45/568478745.db2.gz CWRAZTKRCPRBSC-INIZCTEOSA-N 0 0 411.889 4.548 50 0 HJAARN CCc1cccc(C)c1NC(=O)CSc1ncnc2c1cnn2-c1ccc(C)cc1 ZINC000000790153 568478818 /nfs/dbraw/zinc/47/88/18/568478818.db2.gz IGCDDTVNKYUDAA-UHFFFAOYSA-N 0 0 417.538 4.726 50 0 HJAARN C(=NNc1cc(-c2ccccc2)nc2ncnn21)c1ccc(OCc2ccccc2)cc1 ZINC000012340647 568479219 /nfs/dbraw/zinc/47/92/19/568479219.db2.gz CXRPCJBVBSDHKY-UHFFFAOYSA-N 0 0 420.476 4.816 50 0 HJAARN Cc1ccc(NC(=O)c2c(N)c(C(=O)c3ccccc3)n3ccccc23)cc1Cl ZINC000012342099 568484370 /nfs/dbraw/zinc/48/43/70/568484370.db2.gz LZDGKICZKDSIKW-UHFFFAOYSA-N 0 0 403.869 4.967 50 0 HJAARN COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3ncnn32)cc1OC ZINC000000803093 568485705 /nfs/dbraw/zinc/48/57/05/568485705.db2.gz UYHGBEIZHCDFHG-HOTGVXAUSA-N 0 0 405.285 4.748 50 0 HJAARN COc1cccc(-c2ccc3c(N)c(C(=O)c4ccc5c(c4)OCO5)sc3n2)c1 ZINC000000803886 568485809 /nfs/dbraw/zinc/48/58/09/568485809.db2.gz WUPHXYMJKZYEFN-UHFFFAOYSA-N 0 0 404.447 4.514 50 0 HJAARN Cc1oc2cc(OCC(=O)NCC3CCCCC3)ccc2c(=O)c1-c1ccccc1 ZINC000008183695 568493510 /nfs/dbraw/zinc/49/35/10/568493510.db2.gz OATYZRJRHKXFCB-UHFFFAOYSA-N 0 0 405.494 4.844 50 0 HJAARN O=C(CNc1ccc(Cl)cc1F)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000008192080 568493643 /nfs/dbraw/zinc/49/36/43/568493643.db2.gz OUOHMSCOKDRQQG-MRXNPFEDSA-N 0 0 403.866 4.923 50 0 HJAARN CN(C(=O)COc1ccccc1C(=O)Nc1ccccc1)[C@H]1CCCc2ccccc21 ZINC000008271620 568494415 /nfs/dbraw/zinc/49/44/15/568494415.db2.gz FOEVUXWZAQDJLT-QHCPKHFHSA-N 0 0 414.505 4.854 50 0 HJAARN CCOc1cc(/C=C2/N=C(c3cccs3)OC2=O)cc(Br)c1OCC ZINC000000822854 568498587 /nfs/dbraw/zinc/49/85/87/568498587.db2.gz UQRCOIDAERXHOA-UKTHLTGXSA-N 0 0 422.300 4.653 50 0 HJAARN CC(=O)n1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)c2cc(Br)ccc21 ZINC000008565102 568501673 /nfs/dbraw/zinc/50/16/73/568501673.db2.gz BPTNVGFGKXFLRH-NVMNQCDNSA-N 0 0 423.266 4.717 50 0 HJAARN O=C1N[C@@H](c2cc(Br)ccc2OCc2ccccc2)Nc2ccccc21 ZINC000220957024 568509170 /nfs/dbraw/zinc/50/91/70/568509170.db2.gz KTVDBKTZCNCJEF-FQEVSTJZSA-N 0 0 409.283 4.882 50 0 HJAARN Cc1ccc(CNC(=O)Cn2ccc3c2ccnc3SCc2ccc(C)cc2)o1 ZINC000033172258 568511710 /nfs/dbraw/zinc/51/17/10/568511710.db2.gz QZARLZZZWCHFPG-UHFFFAOYSA-N 0 0 405.523 4.855 50 0 HJAARN COc1ccc(OC)c(NC(=O)c2ccccc2-c2nc(-c3ccc(F)cc3)no2)c1 ZINC000033252431 568511939 /nfs/dbraw/zinc/51/19/39/568511939.db2.gz NVOPHHTZKPXSQH-UHFFFAOYSA-N 0 0 419.412 4.812 50 0 HJAARN CCC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl ZINC000024977912 568517529 /nfs/dbraw/zinc/51/75/29/568517529.db2.gz CWBRFSASRUHUSM-KUHUBIRLSA-N 0 0 407.341 4.639 50 0 HJAARN CN(Cc1ccc2ccccc2c1)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000051865180 568560617 /nfs/dbraw/zinc/56/06/17/568560617.db2.gz PZZUNRSSBLTDAY-JOCHJYFZSA-N 0 0 401.510 4.742 50 0 HJAARN O=C(COc1nc(-c2cccs2)cc(C(F)(F)F)n1)OCCCc1ccccc1 ZINC000020058324 568586890 /nfs/dbraw/zinc/58/68/90/568586890.db2.gz QBPMKIDVPYKJDX-UHFFFAOYSA-N 0 0 422.428 4.779 50 0 HJAARN O=C(NCc1nn(-c2ccccc2)cc1-c1ccccc1)c1cc2ccccc2oc1=O ZINC000606422509 568590545 /nfs/dbraw/zinc/59/05/45/568590545.db2.gz ZWUFAEVRQKLESL-UHFFFAOYSA-N 0 0 421.456 4.576 50 0 HJAARN O=C(NCC[C@@H](O)c1cc2ccccc2o1)NC(c1ccccc1)c1ccccc1 ZINC000390827074 568591434 /nfs/dbraw/zinc/59/14/34/568591434.db2.gz DTAIDQXGDYEIET-OAQYLSRUSA-N 0 0 400.478 4.945 50 0 HJAARN COc1cc(Cl)c(Nc2c3[nH]cccc-3c(=O)n2Cc2cccs2)c(OC)c1 ZINC000020319842 568598804 /nfs/dbraw/zinc/59/88/04/568598804.db2.gz BGWHNRJRCXEFGP-LJQANCHMSA-N 0 0 415.902 4.580 50 0 HJAARN O=C(OCc1sc2ccccc2c1Cl)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000095350337 568600642 /nfs/dbraw/zinc/60/06/42/568600642.db2.gz SNFDTIILNIEUFJ-OAHLLOKOSA-N 0 0 415.898 4.608 50 0 HJAARN CSc1nc2n(n1)[C@H](c1ccccc1)C(C(=O)Nc1ccc(Cl)cc1)=C(C)N2 ZINC000080325188 568601875 /nfs/dbraw/zinc/60/18/75/568601875.db2.gz OFNUYQSNTDKCOG-QGZVFWFLSA-N 0 0 411.918 4.581 50 0 HJAARN CCc1ccc2ncc(S(=O)(=O)c3ccc(OC)cc3)c(N3CCCCC3)c2c1 ZINC000020381681 568602717 /nfs/dbraw/zinc/60/27/17/568602717.db2.gz FMVPUORQLMADAB-UHFFFAOYSA-N 0 0 410.539 4.629 50 0 HJAARN CCOc1ccc(C[NH2+]Cc2c(C)n(Cc3ccccc3C)c(C)c2C(=O)[O-])cc1 ZINC000020415666 568605967 /nfs/dbraw/zinc/60/59/67/568605967.db2.gz ZYEBHJIEIPYVRB-UHFFFAOYSA-N 0 0 406.526 4.848 50 0 HJAARN CCCCN(C)C(=O)/C(=C/c1cn(CC)c2ccccc12)NC(=O)c1ccccc1F ZINC000020438833 568607354 /nfs/dbraw/zinc/60/73/54/568607354.db2.gz MYWXSVUKTRDLGG-JWGURIENSA-N 0 0 421.516 4.830 50 0 HJAARN COP(=O)(OC)c1nc(-c2ccc(C(C)(C)C)cc2)oc1NCc1ccco1 ZINC000020442845 568607807 /nfs/dbraw/zinc/60/78/07/568607807.db2.gz NGNBAJCOCPMIPU-UHFFFAOYSA-N 0 0 404.403 4.955 50 0 HJAARN Cc1ccc2c(c1)N(C(=O)CCC(=O)N[C@H](C)C13CC4CC(CC(C4)C1)C3)C[C@H](C)O2 ZINC000020466085 568610312 /nfs/dbraw/zinc/61/03/12/568610312.db2.gz QPXGRJHMCRZLNX-SQFLJQEISA-N 0 0 424.585 4.610 50 0 HJAARN C[C@@H](NC(=O)c1cc(F)cc(F)c1)c1ccccc1NC(=O)c1cc(F)cc(F)c1 ZINC000095451278 568614469 /nfs/dbraw/zinc/61/44/69/568614469.db2.gz WHBNAVWAOFJPKQ-GFCCVEGCSA-N 0 0 416.374 4.986 50 0 HJAARN CC[C@H](CSC)N(C)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000095459616 568619683 /nfs/dbraw/zinc/61/96/83/568619683.db2.gz AFPAGXCJVHXGMC-CQSZACIVSA-N 0 0 423.932 4.570 50 0 HJAARN COc1ccc(-n2cc(C(=O)N(C)c3ccc(C)c(C)c3)c3ccccc3c2=O)cc1 ZINC000020508820 568620220 /nfs/dbraw/zinc/62/02/20/568620220.db2.gz BHRATYLJVPNKBY-UHFFFAOYSA-N 0 0 412.489 4.893 50 0 HJAARN Cc1ccc(OC2CCN([C@H](C)C(=O)Nc3cccc(Cl)c3Cl)CC2)nc1 ZINC000095462517 568621423 /nfs/dbraw/zinc/62/14/23/568621423.db2.gz ZMFJPWBFOUWPLM-CQSZACIVSA-N 0 0 408.329 4.567 50 0 HJAARN C[C@@H](C(=O)Nc1ccc(Cl)c(CN2C(=O)c3ccccc3C2=O)c1)c1ccccc1 ZINC000095470986 568626430 /nfs/dbraw/zinc/62/64/30/568626430.db2.gz IJFFWVRITOIZDP-OAHLLOKOSA-N 0 0 418.880 4.878 50 0 HJAARN O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)NCCCc1nc2ccccc2[nH]1 ZINC000095479480 568632398 /nfs/dbraw/zinc/63/23/98/568632398.db2.gz AMRONPZZVUIMDI-IBGZPJMESA-N 0 0 420.944 4.941 50 0 HJAARN C[C@H](SCc1ccccc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 ZINC000095481666 568633920 /nfs/dbraw/zinc/63/39/20/568633920.db2.gz YRDHGABXIONEKM-AWEZNQCLSA-N 0 0 401.919 4.670 50 0 HJAARN CC[C@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000095482458 568634414 /nfs/dbraw/zinc/63/44/14/568634414.db2.gz UVNPTOIOWYQKDK-KRWDZBQOSA-N 0 0 420.296 4.859 50 0 HJAARN CN(C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000225409524 568635044 /nfs/dbraw/zinc/63/50/44/568635044.db2.gz KMJFAIBCLOGSOU-BMFZPTHFSA-N 0 0 410.461 4.714 50 0 HJAARN O=C(NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000020614957 568637981 /nfs/dbraw/zinc/63/79/81/568637981.db2.gz GGZOIXKPVATUPN-SFHVURJKSA-N 0 0 424.305 4.531 50 0 HJAARN COc1ccccc1-c1coc2c(ccc3c2CN(CCc2cccs2)CO3)c1=O ZINC000020624903 568638619 /nfs/dbraw/zinc/63/86/19/568638619.db2.gz DNENICZNFLUQAU-UHFFFAOYSA-N 0 0 419.502 4.925 50 0 HJAARN COc1ccc(-c2coc3c(ccc4c3CN(Cc3cccs3)CO4)c2=O)cc1 ZINC000020676920 568639842 /nfs/dbraw/zinc/63/98/42/568639842.db2.gz REOLIHZPLJLKDU-UHFFFAOYSA-N 0 0 405.475 4.882 50 0 biogenic HJAARN C[C@@H]1CCC[C@H](N2CC(=O)N(CCc3ccccc3)[C@@H](c3ccc(F)cc3)C2=O)[C@@H]1C ZINC000020679191 568640103 /nfs/dbraw/zinc/64/01/03/568640103.db2.gz OBTCCDKMXKKPEX-HMDZOYOFSA-N 0 0 422.544 4.605 50 0 HJAARN C[C@@H](c1cc2ccccc2o1)N(CCCN1CCOCC1)C(=S)Nc1ccccc1 ZINC000020729300 568640557 /nfs/dbraw/zinc/64/05/57/568640557.db2.gz DWCVJQUACQZHGW-IBGZPJMESA-N 0 0 423.582 4.915 50 0 HJAARN O=C(CN1C(=O)/C(=C\c2cccc(F)c2)Oc2ccccc21)NC1CCCCCCC1 ZINC000020730605 568640828 /nfs/dbraw/zinc/64/08/28/568640828.db2.gz HPSVROBJYULULF-XQNSMLJCSA-N 0 0 422.500 4.821 50 0 HJAARN O=C(c1cn(-c2ccc(Cl)c(Cl)c2)cn1)N1CCC[C@@H](c2nccs2)C1 ZINC000225484640 568641738 /nfs/dbraw/zinc/64/17/38/568641738.db2.gz LQNBBVSIQKQDIS-GFCCVEGCSA-N 0 0 407.326 4.655 50 0 HJAARN COc1ccc(-c2cc(C(C)=O)c(C)n2CCC(=O)Nc2ccc(F)cc2F)cc1 ZINC000020761380 568642453 /nfs/dbraw/zinc/64/24/53/568642453.db2.gz UNPHVGMKOQPIDQ-UHFFFAOYSA-N 0 0 412.436 4.982 50 0 HJAARN Cn1cc(-c2oncc2C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)cn1 ZINC000225496018 568643260 /nfs/dbraw/zinc/64/32/60/568643260.db2.gz YJVSASASJDMOJF-UHFFFAOYSA-N 0 0 424.407 4.520 50 0 HJAARN COc1ccc(-c2csc3[nH]c(-c4ccc(N5CCCC5)cc4)nc(=O)c23)cc1 ZINC000225517778 568645890 /nfs/dbraw/zinc/64/58/90/568645890.db2.gz RZQTYEFIKJIEDT-UHFFFAOYSA-N 0 0 403.507 4.927 50 0 HJAARN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cc(F)cc(F)c1)SCC(=O)N2 ZINC000020892060 568647933 /nfs/dbraw/zinc/64/79/33/568647933.db2.gz PLWAXOPZWMPOHO-GOSISDBHSA-N 0 0 405.857 4.887 50 0 HJAARN Cc1cc(C)c(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1Br ZINC000225538975 568648741 /nfs/dbraw/zinc/64/87/41/568648741.db2.gz WBOMOESLABVMGU-UHFFFAOYSA-N 0 0 422.388 4.709 50 0 HJAARN COc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)cc1 ZINC000020898916 568649581 /nfs/dbraw/zinc/64/95/81/568649581.db2.gz OESAHLDTZHAHPH-HXUWFJFHSA-N 0 0 413.930 4.926 50 0 HJAARN CC(C)(O)c1nnc(NCc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)o1 ZINC000225568922 568652148 /nfs/dbraw/zinc/65/21/48/568652148.db2.gz UYDONZYOKZEUOG-UHFFFAOYSA-N 0 0 408.285 4.795 50 0 HJAARN CCn1c2cc(NC(=O)Nc3cc(C)ccc3C)c(N3CCCC3)cc2n(CC)c1=O ZINC000020991694 568655879 /nfs/dbraw/zinc/65/58/79/568655879.db2.gz POQFGGMALYTMLX-UHFFFAOYSA-N 0 0 421.545 4.704 50 0 HJAARN COc1ccc(C)cc1NC(=O)CCN1c2ccccc2Sc2ncccc2C1=O ZINC000020993400 568656162 /nfs/dbraw/zinc/65/61/62/568656162.db2.gz SOOZSMHVVQYRJI-UHFFFAOYSA-N 0 0 419.506 4.539 50 0 HJAARN COc1ccc([C@@H](CC(=O)Nc2cc(Cl)c(OC)cc2OC)n2cccc2)cc1 ZINC000020997470 568657071 /nfs/dbraw/zinc/65/70/71/568657071.db2.gz NUHPVVZZWRDWHD-LJQANCHMSA-N 0 0 414.889 4.786 50 0 HJAARN O=S(=O)(Nc1cccc(-c2ccno2)c1)c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000021033874 568659623 /nfs/dbraw/zinc/65/96/23/568659623.db2.gz GPOKDZPZGSIDTQ-UHFFFAOYSA-N 0 0 407.451 4.675 50 0 HJAARN Cc1ncc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(Br)c(C)c3)c2)o1 ZINC000021032739 568659670 /nfs/dbraw/zinc/65/96/70/568659670.db2.gz ODDCQKLFDBLWEQ-UHFFFAOYSA-N 0 0 421.316 4.830 50 0 HJAARN CC(=O)Oc1ccc2ccccc2c1C1=NN(C(C)=O)[C@H](c2ccccc2Cl)O1 ZINC000021092725 568664444 /nfs/dbraw/zinc/66/44/44/568664444.db2.gz TZGHKPCFEACRLJ-QFIPXVFZSA-N 0 0 408.841 4.658 50 0 HJAARN Cc1cc(C)cc(NC(=O)Nc2ccc(OCc3cc(=O)n4ccccc4n3)cc2)c1 ZINC000021099743 568666339 /nfs/dbraw/zinc/66/63/39/568666339.db2.gz CWEPTUHEIFPAPI-UHFFFAOYSA-N 0 0 414.465 4.534 50 0 HJAARN CCOc1ccc(OCC)c(Nc2c3[nH]cccc-3c(=O)n2-c2cccc(OC)c2)c1 ZINC000021104692 568666779 /nfs/dbraw/zinc/66/67/79/568666779.db2.gz QPRGHJBHXQRNMJ-HSZRJFAPSA-N 0 0 419.481 4.659 50 0 HJAARN O=S(=O)(Nc1c(F)cc(F)cc1Br)c1ccc(C(F)(F)F)cc1 ZINC000095950192 568667582 /nfs/dbraw/zinc/66/75/82/568667582.db2.gz KGPHJUHEXNTYFX-UHFFFAOYSA-N 0 0 416.165 4.547 50 0 HJAARN Cc1c(C(=O)NCCc2ccc(C)cc2)sc2ncnc(N3CCCCCC3)c12 ZINC000021115971 568669053 /nfs/dbraw/zinc/66/90/53/568669053.db2.gz RRIDCGZJXZVQKA-UHFFFAOYSA-N 0 0 408.571 4.661 50 0 HJAARN Cc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)N(C)C)c3)c3c(C)noc3n2)s1 ZINC000021138344 568670748 /nfs/dbraw/zinc/67/07/48/568670748.db2.gz XCACFPXJSQNYMV-UHFFFAOYSA-N 0 0 420.494 4.522 50 0 HJAARN CSc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1 ZINC000021177342 568677576 /nfs/dbraw/zinc/67/75/76/568677576.db2.gz FAMWOONVGABYTP-HNNXBMFYSA-N 0 0 406.536 4.986 50 0 HJAARN C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)[C@@H]1CCn2c(cnc2-c2ccccc2)C1 ZINC000095993254 568678112 /nfs/dbraw/zinc/67/81/12/568678112.db2.gz MPJGXYSYXJGQDJ-DOTOQJQBSA-N 0 0 407.464 4.537 50 0 HJAARN C[S@@](=O)c1ccc(CNc2ccc(OC(F)(F)F)cc2Br)cc1 ZINC000095996674 568679124 /nfs/dbraw/zinc/67/91/24/568679124.db2.gz VEJHKRCLKJLJBD-QHCPKHFHSA-N 0 0 408.239 4.697 50 0 HJAARN CC(C)c1cnc(COC(=O)[C@H](C)Oc2ccc(Br)cc2F)s1 ZINC000096008814 568683431 /nfs/dbraw/zinc/68/34/31/568683431.db2.gz GNYQDBIWLUJCQC-JTQLQIEISA-N 0 0 402.285 4.679 50 0 HJAARN Cn1cc(CCC(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)c2ccccc21 ZINC000096008119 568683476 /nfs/dbraw/zinc/68/34/76/568683476.db2.gz PVGSJFWJTJQDSB-OAQYLSRUSA-N 0 0 416.443 4.730 50 0 HJAARN Cc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(F)cc2)cc1C ZINC000021353721 568688028 /nfs/dbraw/zinc/68/80/28/568688028.db2.gz ADVBYCUWZXCCON-UHFFFAOYSA-N 0 0 418.515 4.581 50 0 HJAARN Cn1c(CCc2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2)nc2ccccc21 ZINC000021357735 568688722 /nfs/dbraw/zinc/68/87/22/568688722.db2.gz IZQRXPDRIVMWRS-UHFFFAOYSA-N 0 0 414.465 4.731 50 0 HJAARN CC[C@H](C)[C@@H](NC(=O)/C=C/c1ccccc1)c1nc(-c2ccc(OC)c(OC)c2)no1 ZINC000096096136 568688834 /nfs/dbraw/zinc/68/88/34/568688834.db2.gz JLSYBWGADIFURL-VRRODSMKSA-N 0 0 421.497 4.671 50 0 HJAARN CC[C@@H](C)N(CCc1nc(-c2cccc(OC)c2)no1)C(=O)/C=C/c1ccccc1 ZINC000096096148 568688888 /nfs/dbraw/zinc/68/88/88/568688888.db2.gz OFLKFKRBDWXNBA-KAUXGEHWSA-N 0 0 405.498 4.628 50 0 HJAARN O=C(NCc1nn(C2CCCC2)c2c1CCCC2)c1ccccc1Br ZINC000096099229 568690004 /nfs/dbraw/zinc/69/00/04/568690004.db2.gz LBKABLUOXVLGTL-UHFFFAOYSA-N 0 0 402.336 4.570 50 0 HJAARN COc1ccccc1CN(Cc1ccco1)C(=O)C1=C(c2ccccc2)SCCO1 ZINC000012389808 568690508 /nfs/dbraw/zinc/69/05/08/568690508.db2.gz KQUZHMLUCKJSSS-UHFFFAOYSA-N 0 0 421.518 4.949 50 0 HJAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCn1ccc2c1cccc2Cl)CC3 ZINC000096115400 568694803 /nfs/dbraw/zinc/69/48/03/568694803.db2.gz KTWRAPCXEKOQPZ-UHFFFAOYSA-N 0 0 407.901 4.760 50 0 biogenic HJAARN CC(C)c1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)cc1 ZINC000096117049 568696302 /nfs/dbraw/zinc/69/63/02/568696302.db2.gz NLNFFYWVWMJXFG-VQIMIIECSA-N 0 0 415.559 4.617 50 0 HJAARN CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccc(F)cc2Cl)S1 ZINC000096118443 568698065 /nfs/dbraw/zinc/69/80/65/568698065.db2.gz OBCGQQQDKNVMSQ-MLGOLLRUSA-N 0 0 409.914 4.985 50 0 HJAARN O=C(c1csc(-c2ccccc2)n1)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 ZINC000096119021 568698581 /nfs/dbraw/zinc/69/85/81/568698581.db2.gz URJURYFPFQSEOH-OAHLLOKOSA-N 0 0 422.535 4.941 50 0 HJAARN O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cc(Br)cnc1Cl ZINC000058245109 568699254 /nfs/dbraw/zinc/69/92/54/568699254.db2.gz WUECFQXINSAYHY-GFCCVEGCSA-N 0 0 401.688 4.604 50 0 HJAARN O=C(/C=C\c1ccc(-c2ccccc2)s1)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000096179263 568702311 /nfs/dbraw/zinc/70/23/11/568702311.db2.gz LYRDBTKQHLOZKH-KXXOPMGUSA-N 0 0 402.519 4.518 50 0 HJAARN Cc1ccc([C@@H](c2ccccc2C)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000096182530 568702682 /nfs/dbraw/zinc/70/26/82/568702682.db2.gz DYLDLSPCMNBMAC-VWLOTQADSA-N 0 0 402.513 4.990 50 0 HJAARN COc1ccccc1C(=O)N1CCN([C@H](c2ccccc2)c2cc(C)ccc2C)CC1 ZINC000096183767 568703076 /nfs/dbraw/zinc/70/30/76/568703076.db2.gz QNSBKAKYRHZJFS-AREMUKBSSA-N 0 0 414.549 4.859 50 0 HJAARN COCCn1cc(CCC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)c2ccccc21 ZINC000096231093 568707136 /nfs/dbraw/zinc/70/71/36/568707136.db2.gz AUSNIKSVBWWNLN-DEOSSOPVSA-N 0 0 418.541 4.610 50 0 HJAARN Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1ccccc1OC(C)C)SCC(=O)N2 ZINC000021523896 568708927 /nfs/dbraw/zinc/70/89/27/568708927.db2.gz XYAAKZOEXXFTFI-NRFANRHFSA-N 0 0 411.502 4.882 50 0 HJAARN C[C@H]1CCCCN1C(=O)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000000844976 568710004 /nfs/dbraw/zinc/71/00/04/568710004.db2.gz GYJRMXOWZROTDC-LBPRGKRZSA-N 0 0 406.383 4.569 50 0 HJAARN CC(C)[C@H](NC(=O)c1ccco1)c1nc(-c2ccc(N3CCC(C)CC3)cc2)no1 ZINC000021534008 568711575 /nfs/dbraw/zinc/71/15/75/568711575.db2.gz UCMKWZYZLPZLST-FQEVSTJZSA-N 0 0 408.502 4.693 50 0 HJAARN Cc1cn2c(nc(CSc3ccccc3NC(=O)C3CCCCC3)cc2=O)s1 ZINC000021535946 568712069 /nfs/dbraw/zinc/71/20/69/568712069.db2.gz LIGVLTADAAQQFP-UHFFFAOYSA-N 0 0 413.568 4.876 50 0 HJAARN Cc1cn2c(nc(CSc3ccccc3NC(=O)c3ccc(C)cc3)cc2=O)s1 ZINC000021535929 568712124 /nfs/dbraw/zinc/71/21/24/568712124.db2.gz UPGWUYJEBMHFCS-UHFFFAOYSA-N 0 0 421.547 4.917 50 0 HJAARN Cc1ccc(NC(=O)CCCn2nc(-n3cccc3)c3c2nc(C)cc3C)c(C)c1 ZINC000021540002 568713504 /nfs/dbraw/zinc/71/35/04/568713504.db2.gz FARVAWGXMGLLAG-UHFFFAOYSA-N 0 0 401.514 4.875 50 0 HJAARN Cc1cc(C)c2c(-n3cccc3)nn(Cc3ccc(C(=O)NCCC(C)C)cc3)c2n1 ZINC000021540063 568713541 /nfs/dbraw/zinc/71/35/41/568713541.db2.gz QFJIFURWHCLZEN-UHFFFAOYSA-N 0 0 415.541 4.663 50 0 HJAARN C[C@@H]1c2nc3ccccc3c(=O)n2[C@@H](c2ccc(O)cc2)N1c1ccc(Cl)cc1 ZINC000096274187 568713996 /nfs/dbraw/zinc/71/39/96/568713996.db2.gz FVUWGTIWNQRDBE-PEBXRYMYSA-N 0 0 403.869 4.884 50 0 HJAARN O=C(C[C@@H](c1c[nH]c2ccc(Cl)cc21)c1ccc(Cl)cc1)N1CCOCC1 ZINC000096276251 568715144 /nfs/dbraw/zinc/71/51/44/568715144.db2.gz PIOCXHKKMXBOBR-QGZVFWFLSA-N 0 0 403.309 4.856 50 0 HJAARN COc1ccc([C@@H](CC(=O)N2CCCC2)c2c[nH]c3ccc(Cl)cc32)cc1OC ZINC000096278209 568716684 /nfs/dbraw/zinc/71/66/84/568716684.db2.gz DBQZZYXAJMTQMA-QGZVFWFLSA-N 0 0 412.917 4.983 50 0 HJAARN COc1ccc([C@H](CC(N)=O)c2cn(C)c3ccccc23)cc1OCc1ccccc1 ZINC000096278611 568716934 /nfs/dbraw/zinc/71/69/34/568716934.db2.gz TXFIGIFXXYZIGD-NRFANRHFSA-N 0 0 414.505 4.773 50 0 HJAARN CCOc1ccc(CN(Cc2nc(C(=O)NCC(C)C)co2)[C@@H](C)C(C)C)cc1 ZINC000096280028 568717781 /nfs/dbraw/zinc/71/77/81/568717781.db2.gz XIRPDHCJTYLPAH-SFHVURJKSA-N 0 0 401.551 4.506 50 0 HJAARN Cc1nn(-c2ccccc2C)c(Oc2ccccc2)c1CCC(=O)N1CCSCC1 ZINC000096280576 568717989 /nfs/dbraw/zinc/71/79/89/568717989.db2.gz MFCZGZMCEOJLFB-UHFFFAOYSA-N 0 0 421.566 4.789 50 0 HJAARN CCN(CC)C(=O)Oc1c(Br)cc(Br)c2cccnc21 ZINC000000863598 568719533 /nfs/dbraw/zinc/71/95/33/568719533.db2.gz DTMJOGLXAGIOAA-UHFFFAOYSA-N 0 0 402.086 4.600 50 0 HJAARN COc1ccc(-c2noc(CCN(C(=O)c3ccco3)[C@H](C)c3ccccc3)n2)cc1 ZINC000096293159 568721570 /nfs/dbraw/zinc/72/15/70/568721570.db2.gz AFXGLFDXRSCGAG-QGZVFWFLSA-N 0 0 417.465 4.784 50 0 HJAARN CC[C@@H](C)N(Cc1cccc(OS(=O)(=O)c2c(C)cccc2Cl)c1)C(C)=O ZINC000096294718 568722365 /nfs/dbraw/zinc/72/23/65/568722365.db2.gz BERYPFSIOQXVNM-OAHLLOKOSA-N 0 0 409.935 4.563 50 0 HJAARN Cc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000096295709 568722461 /nfs/dbraw/zinc/72/24/61/568722461.db2.gz KHHCYVQXMCAFRN-BDTNDASRSA-N 0 0 418.880 4.700 50 0 HJAARN COc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(F)cc4F)c3)cn2n1 ZINC000012441288 568724337 /nfs/dbraw/zinc/72/43/37/568724337.db2.gz NCGSYOAZIMENMO-UHFFFAOYSA-N 0 0 414.799 4.589 50 0 HJAARN Cc1cc(NC(=O)[C@H](C)Oc2ccccc2)n(-c2nc(-c3ccccc3)cs2)n1 ZINC000012441738 568724375 /nfs/dbraw/zinc/72/43/75/568724375.db2.gz USHSWDNHAPSDFI-INIZCTEOSA-N 0 0 404.495 4.710 50 0 HJAARN Cc1ccccc1NC(=O)Cc1csc(SCC(=O)c2ccc(F)cc2)n1 ZINC000012444181 568725321 /nfs/dbraw/zinc/72/53/21/568725321.db2.gz JAOPWEHTQCZRCD-UHFFFAOYSA-N 0 0 400.500 4.747 50 0 HJAARN O=C(/C=C\c1ccccc1)N1CCC(C(=O)Nc2cc(-n3cccc3)ccc2F)CC1 ZINC000096315850 568725770 /nfs/dbraw/zinc/72/57/70/568725770.db2.gz PKYOUNHCVKZJHR-FLIBITNWSA-N 0 0 417.484 4.507 50 0 HJAARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000239403357 568729427 /nfs/dbraw/zinc/72/94/27/568729427.db2.gz RVXTVGBYGDFFIX-GGAORHGYSA-N 0 0 409.316 6.544 50 0 HJAARN Clc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3C2CCCCC2)cc1 ZINC000239439194 568729538 /nfs/dbraw/zinc/72/95/38/568729538.db2.gz ZOEQWOBNKIDAQR-IRLDBZIGSA-N 0 0 401.337 6.443 50 0 HJAARN COC(=O)c1c(C)c(C(=O)Nc2ccccc2F)sc1NC(=O)C1CCCCC1 ZINC000000871556 568730366 /nfs/dbraw/zinc/73/03/66/568730366.db2.gz GKMCLSXACVEHIW-UHFFFAOYSA-N 0 0 418.490 4.753 50 0 HJAARN Cc1nn(-c2ccc(C(=O)NCc3ccc(C)cc3)cc2)c2c1C(=O)CC(C)(C)C2 ZINC000021652893 568730593 /nfs/dbraw/zinc/73/05/93/568730593.db2.gz RIVDFMNVVKPJMI-UHFFFAOYSA-N 0 0 401.510 4.574 50 0 HJAARN Cc1ccccc1CS(=O)(=O)Cc1ccc(-c2nc(-c3cccc(F)c3)no2)o1 ZINC000096322754 568731044 /nfs/dbraw/zinc/73/10/44/568731044.db2.gz JJWKMCDNZBYNDG-UHFFFAOYSA-N 0 0 412.442 4.559 50 0 HJAARN CCOc1ccc(NC(=O)C[C@H]2COc3ccccc3N2Cc2ccccc2)cc1 ZINC000096322976 568731222 /nfs/dbraw/zinc/73/12/22/568731222.db2.gz PSAYHUZDGZXYMW-NRFANRHFSA-N 0 0 402.494 4.882 50 0 HJAARN COC(=O)c1sc(N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)nc1Cl ZINC000241946730 568732099 /nfs/dbraw/zinc/73/20/99/568732099.db2.gz UNLJLFFNASQVSU-CABZTGNLSA-N 0 0 420.840 4.568 50 0 HJAARN Cc1ccc(-c2nc3sc4c(n3n2)CCN(C(=O)Nc2ccccc2C)C4)cc1 ZINC000096323851 568732824 /nfs/dbraw/zinc/73/28/24/568732824.db2.gz HUTYCTOKACNWKM-UHFFFAOYSA-N 0 0 403.511 4.665 50 0 HJAARN Cc1cccc(OCc2nc3ccccc3n2C[C@@H](O)COc2cc(C)ccc2C)c1 ZINC000021659910 568735413 /nfs/dbraw/zinc/73/54/13/568735413.db2.gz AMTQGMHXYBZYOG-OAQYLSRUSA-N 0 0 416.521 4.980 50 0 HJAARN CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3ccccc3F)sc2c1 ZINC000021660941 568735760 /nfs/dbraw/zinc/73/57/60/568735760.db2.gz AGYVSWMQJHMNSD-OAHLLOKOSA-N 0 0 422.485 4.802 50 0 HJAARN Cc1nn(-c2nc3ccc(C)cc3s2)c2c1[C@@H](c1cc(F)cc(F)c1)CC(=O)N2 ZINC000021661047 568735838 /nfs/dbraw/zinc/73/58/38/568735838.db2.gz FEMYPJBEKYHDLJ-OAHLLOKOSA-N 0 0 410.449 4.851 50 0 HJAARN CCn1c(CCc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)nc2ccccc21 ZINC000021664258 568736572 /nfs/dbraw/zinc/73/65/72/568736572.db2.gz NXJVPSRVCGNUFT-UHFFFAOYSA-N 0 0 419.550 4.951 50 0 HJAARN CCOc1ccc(NC(=O)CSc2ncnc3c(-c4ccc(F)cc4)c[nH]c32)cc1 ZINC000096333482 568736638 /nfs/dbraw/zinc/73/66/38/568736638.db2.gz OWJQRWPNOLFBMD-UHFFFAOYSA-N 0 0 422.485 4.894 50 0 HJAARN CC(C)(C)OC(=O)N1CC[C@]2(C1)CC(=O)c1c(OCc3ccccc3)cccc1O2 ZINC000096341546 568736933 /nfs/dbraw/zinc/73/69/33/568736933.db2.gz UEMQVKDSNCMQIX-XMMPIXPASA-N 0 0 409.482 4.610 50 0 HJAARN Cn1cccc1CNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 ZINC000096344102 568737125 /nfs/dbraw/zinc/73/71/25/568737125.db2.gz NBWVFGKTTUPCCM-QHCPKHFHSA-N 0 0 419.569 4.526 50 0 HJAARN CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccccc2F)C12CCCC2 ZINC000096344490 568737292 /nfs/dbraw/zinc/73/72/92/568737292.db2.gz AXOHEYCOBNFKRL-JOCHJYFZSA-N 0 0 408.517 4.794 50 0 HJAARN CC[C@@H](C(=O)N(C)CCc1noc(-c2cc3cc(C)ccc3[nH]2)n1)c1ccccc1 ZINC000096349546 568738078 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HJAARN COc1ccccc1NC(=O)Nc1cccc(-c2nccnc2N2CCCCC2)c1 ZINC000096386594 568743229 /nfs/dbraw/zinc/74/32/29/568743229.db2.gz JCAGSQOWRURLHO-UHFFFAOYSA-N 0 0 403.486 4.787 50 0 HJAARN COc1ccc(NC(=O)Nc2cccc(-c3nccnc3N3CCCCC3)c2)cc1 ZINC000096386591 568743253 /nfs/dbraw/zinc/74/32/53/568743253.db2.gz SQXMRRXCICYPMJ-UHFFFAOYSA-N 0 0 403.486 4.787 50 0 HJAARN C[C@H](NC(=O)Cc1c2[nH]cccc-2c(=O)n1-c1ccc(Cl)cc1)c1ccccc1 ZINC000096387108 568743868 /nfs/dbraw/zinc/74/38/68/568743868.db2.gz RLCRAMHOSTZQMM-YWZLYKJASA-N 0 0 405.885 4.704 50 0 HJAARN Cc1oc2ccn(Cc3ccccc3F)c(=O)c2c1C(=O)N[C@@H](C)c1ccccc1 ZINC000096396542 568745119 /nfs/dbraw/zinc/74/51/19/568745119.db2.gz KOYDJOQLKZJIDW-HNNXBMFYSA-N 0 0 404.441 4.581 50 0 HJAARN CC(C)CS(=O)(=O)c1nc2ccc(NC(=O)Nc3ccccc3F)cc2s1 ZINC000096399733 568749130 /nfs/dbraw/zinc/74/91/30/568749130.db2.gz HZSQXALMBJPNET-UHFFFAOYSA-N 0 0 407.492 4.509 50 0 HJAARN COc1ccc(OCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1 ZINC000000903130 568749590 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4.858 50 0 HJAARN Cc1ccc(-c2nc(CN3CCC[C@@H](C(=O)Nc4ccc(C)c(C)c4)C3)no2)cc1 ZINC000021724851 568751430 /nfs/dbraw/zinc/75/14/30/568751430.db2.gz UMRKIXOCSFJGEF-HXUWFJFHSA-N 0 0 404.514 4.513 50 0 HJAARN CC(C)Oc1ccccc1[C@@H]1CC(=O)Nc2c1cnn2-c1nc2ccccc2s1 ZINC000021725654 568751472 /nfs/dbraw/zinc/75/14/72/568751472.db2.gz GRGKAMKCXIEBNQ-HNNXBMFYSA-N 0 0 404.495 4.743 50 0 HJAARN C[C@H](Sc1nc2sccc2c(N)n1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000021762307 568752341 /nfs/dbraw/zinc/75/23/41/568752341.db2.gz PLHJMMKLAMRBSR-JTQLQIEISA-N 0 0 413.553 4.516 50 0 HJAARN COc1cccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(C)c(Cl)c2)c1 ZINC000021788138 568752770 /nfs/dbraw/zinc/75/27/70/568752770.db2.gz HWIXNSFHRJGJMW-FQEVSTJZSA-N 0 0 413.930 4.926 50 0 HJAARN CC(C)C(NC(=O)c1nn(-c2ccccn2)c2nccc(-c3cccs3)c12)C(C)C ZINC000025145954 568752782 /nfs/dbraw/zinc/75/27/82/568752782.db2.gz VXWZKZBUGSGQLI-UHFFFAOYSA-N 0 0 419.554 4.954 50 0 HJAARN COc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(=O)Nc1ccccc1C ZINC000021792538 568753119 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CCOC(=O)Cc1ccc(NC(=O)N2Cc3ccccc3-n3cccc3[C@H]2C)cc1 ZINC000021890562 568759103 /nfs/dbraw/zinc/75/91/03/568759103.db2.gz UKYRKVXAWPQJIO-QGZVFWFLSA-N 0 0 403.482 4.692 50 0 HJAARN CCCNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000021892654 568759625 /nfs/dbraw/zinc/75/96/25/568759625.db2.gz ZQHKPPWOEJPXOU-QHCPKHFHSA-N 0 0 405.498 4.519 50 0 HJAARN CCn1c(S[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1cccc(C)c1 ZINC000000976327 568759696 /nfs/dbraw/zinc/75/96/96/568759696.db2.gz DGEJQYIPAVEXTD-INIZCTEOSA-N 0 0 408.527 4.595 50 0 HJAARN COCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1cccc(Cl)c1 ZINC000021893715 568759940 /nfs/dbraw/zinc/75/99/40/568759940.db2.gz YCZKZBWIGFAKCB-QFIPXVFZSA-N 0 0 409.917 4.782 50 0 HJAARN CC(=O)n1nc(-c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)n(C)c1=S ZINC000096568826 568760754 /nfs/dbraw/zinc/76/07/54/568760754.db2.gz ARCVSCOZLBOCRG-UHFFFAOYSA-N 0 0 421.309 4.837 50 0 HJAARN COc1ccc(/C=C2/N=C(c3cccs3)OC2=O)cc1OCc1ccccc1C ZINC000000995893 568760897 /nfs/dbraw/zinc/76/08/97/568760897.db2.gz RPAKCZQQSIVGCH-LDADJPATSA-N 0 0 405.475 4.989 50 0 HJAARN COc1ccc(CC(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@@H](C)C3)cc1 ZINC000000995200 568760899 /nfs/dbraw/zinc/76/08/99/568760899.db2.gz PFBPKIQENRFPRX-CQSZACIVSA-N 0 0 401.528 4.628 50 0 HJAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)Nc1ccccn1 ZINC000000995904 568761044 /nfs/dbraw/zinc/76/10/44/568761044.db2.gz IQJVMUUFSUJJQD-UHFFFAOYSA-N 0 0 421.913 4.714 50 0 HJAARN COc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccc(OC)c3)c2)cc1 ZINC000001006681 568761894 /nfs/dbraw/zinc/76/18/94/568761894.db2.gz DGZFPBHJFCQMFX-UHFFFAOYSA-N 0 0 410.857 4.862 50 0 HJAARN O=C(NCc1ccccc1)c1cc(-c2cccnc2)nc2ccc(Br)cc21 ZINC000021934950 568761951 /nfs/dbraw/zinc/76/19/51/568761951.db2.gz CVASFFMKTJRHGS-UHFFFAOYSA-N 0 0 418.294 4.989 50 0 HJAARN CCC[C@H]1N=C2c3ccccc3N=C(S[C@H](C)C(=O)Nc3cccc(C)c3)N2C1=O ZINC000021936343 568762244 /nfs/dbraw/zinc/76/22/44/568762244.db2.gz PVVDJYUKFFFNRS-DNVCBOLYSA-N 0 0 420.538 4.514 50 0 HJAARN CCC[C@@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3ccccc3)N2C1=O ZINC000021936251 568762317 /nfs/dbraw/zinc/76/23/17/568762317.db2.gz NFBWYWYEQGITHX-OALUTQOASA-N 0 0 420.538 4.596 50 0 HJAARN O=C(Nc1ccc2c3c(cccc31)CC2)c1occc1CS(=O)(=O)c1ccccc1 ZINC000022020717 568764267 /nfs/dbraw/zinc/76/42/67/568764267.db2.gz DTCCXWSMJJGXTK-UHFFFAOYSA-N 0 0 417.486 4.758 50 0 HJAARN C[C@H](Sc1nc(-c2ccco2)nc2ccccc21)C(=O)NCCc1ccccc1 ZINC000022189164 568765326 /nfs/dbraw/zinc/76/53/26/568765326.db2.gz VQSMVQZDARRSRK-INIZCTEOSA-N 0 0 403.507 4.729 50 0 HJAARN O=C(Nc1ccccn1)N(Cc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F ZINC000096999944 568766165 /nfs/dbraw/zinc/76/61/65/568766165.db2.gz DXJKRJYXZIRFNG-IBGZPJMESA-N 0 0 415.415 4.868 50 0 HJAARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccnn1Cc1ccc(Cl)cc1 ZINC000022386083 568767150 /nfs/dbraw/zinc/76/71/50/568767150.db2.gz HHWHGSLCNCCJKV-UHFFFAOYSA-N 0 0 406.873 4.729 50 0 HJAARN CCOc1ccc(S(=O)(=O)NCCc2c(C)[nH]c3ccccc32)c2ccccc12 ZINC000001088430 568768969 /nfs/dbraw/zinc/76/89/69/568768969.db2.gz JSNVYACAQMQLNM-UHFFFAOYSA-N 0 0 408.523 4.549 50 0 HJAARN CN1c2ccc(NC(=O)NCc3cccc4ccccc43)cc2OCC(C)(C)C1=O ZINC000022508325 568769169 /nfs/dbraw/zinc/76/91/69/568769169.db2.gz COFCDNFEMGZBCJ-UHFFFAOYSA-N 0 0 403.482 4.543 50 0 HJAARN COc1ccc2c(c1)CN(C(=O)Nc1ccc([S@@](C)=O)cc1)[C@@H](c1ccccc1)C2 ZINC000097164722 568769400 /nfs/dbraw/zinc/76/94/00/568769400.db2.gz PEWZCDYAILAHPZ-DJUQAAIZSA-N 0 0 420.534 4.764 50 0 HJAARN COc1ccc(-c2cc(=O)c3cc(Br)cc(Br)c3o2)cc1 ZINC000001106343 568770065 /nfs/dbraw/zinc/77/00/65/568770065.db2.gz GFBORTFEPOWNPO-UHFFFAOYSA-N 0 0 410.061 4.994 50 0 HJAARN Brc1ccccc1CNc1ncncc1-c1nc(-c2ccsc2)no1 ZINC000225580089 568774721 /nfs/dbraw/zinc/77/47/21/568774721.db2.gz FXZPLQBAMXTJTD-UHFFFAOYSA-N 0 0 414.288 4.630 50 0 HJAARN O=C(NC(c1ccccc1)c1ccccc1)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000225680141 568778713 /nfs/dbraw/zinc/77/87/13/568778713.db2.gz MULBVOAPDZLBST-OAQYLSRUSA-N 0 0 400.478 4.704 50 0 HJAARN Cc1c(Br)c(C(F)(F)F)nn1[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000028231533 568783076 /nfs/dbraw/zinc/78/30/76/568783076.db2.gz AWTUDCXKJIBWSG-LLVKDONJSA-N 0 0 404.230 4.789 50 0 HJAARN Cc1cccc(Oc2ncccc2NC(=O)c2ccc(N3CCOC3=O)cc2)c1C ZINC000055828347 568783981 /nfs/dbraw/zinc/78/39/81/568783981.db2.gz QIPSBZUVCMLNHP-UHFFFAOYSA-N 0 0 403.438 4.700 50 0 HJAARN C[C@@H](NC(=O)COC(=O)c1ccccc1OCc1ccccc1Cl)c1ccccc1 ZINC000002617122 568785914 /nfs/dbraw/zinc/78/59/14/568785914.db2.gz QUMMFUOJFUDAIU-QGZVFWFLSA-N 0 0 423.896 4.953 50 0 HJAARN COc1ccc(C(=O)CSc2nnc(Nc3cccc(C)c3C)s2)c(OC)c1 ZINC000002621462 568787786 /nfs/dbraw/zinc/78/77/86/568787786.db2.gz MTGAGFHLKRACEC-UHFFFAOYSA-N 0 0 415.540 4.891 50 0 HJAARN Nc1c(Cl)cc(Cl)cc1C(=O)OCCOc1ccc(Br)cc1 ZINC000002635142 568791804 /nfs/dbraw/zinc/79/18/04/568791804.db2.gz TVJGEXVUOVAVBW-UHFFFAOYSA-N 0 0 405.075 4.574 50 0 HJAARN CSc1ncccc1C(=O)O[C@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000002635822 568791999 /nfs/dbraw/zinc/79/19/99/568791999.db2.gz BLONUSTVIWCCRT-GOSISDBHSA-N 0 0 420.534 4.578 50 0 HJAARN COc1cccc(NC(=O)CSc2nnc(Nc3ccc(C)c(C)c3)s2)c1 ZINC000002637241 568792634 /nfs/dbraw/zinc/79/26/34/568792634.db2.gz KIYAVNJWMTWVRS-UHFFFAOYSA-N 0 0 400.529 4.638 50 0 HJAARN Cc1cc(Br)ccc1NC(=O)CCc1nc(-c2ccc(F)cc2)no1 ZINC000008029026 568793284 /nfs/dbraw/zinc/79/32/84/568793284.db2.gz RGPIXJPAXDQEEW-UHFFFAOYSA-N 0 0 404.239 4.518 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1 ZINC000002641360 568793796 /nfs/dbraw/zinc/79/37/96/568793796.db2.gz IVWPZMVLHCWLCG-JOCHJYFZSA-N 0 0 404.897 4.854 50 0 HJAARN O=C(Nc1cc(N2CCOC2=O)ccc1F)c1ccc(-c2ccccc2F)s1 ZINC000056211194 568794183 /nfs/dbraw/zinc/79/41/83/568794183.db2.gz XRHBLGDLPIHSJA-UHFFFAOYSA-N 0 0 400.406 4.902 50 0 HJAARN Fc1ccc(NC(=S)Nc2cccc(I)c2)cc1Cl ZINC000002643361 568794248 /nfs/dbraw/zinc/79/42/48/568794248.db2.gz CNANKBCVZDNADV-UHFFFAOYSA-N 0 0 406.651 4.893 50 0 HJAARN O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)Nc1ccc(F)cc1 ZINC000002652283 568796655 /nfs/dbraw/zinc/79/66/55/568796655.db2.gz QBTCJPBKZKJSFK-UHFFFAOYSA-N 0 0 422.460 4.943 50 0 HJAARN O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)N1CCc2ccccc21 ZINC000002652104 568796683 /nfs/dbraw/zinc/79/66/83/568796683.db2.gz LFMWBZPXQUWUQT-NRFANRHFSA-N 0 0 404.897 4.791 50 0 HJAARN Cc1sc(NC(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)nc1-c1ccccc1 ZINC000002653109 568796975 /nfs/dbraw/zinc/79/69/75/568796975.db2.gz ZNCCMUBEMDDYJK-IBGZPJMESA-N 0 0 407.539 4.820 50 0 HJAARN COCCn1c(C)cc(C(=O)COC(=O)c2ccccc2Nc2ccccc2)c1C ZINC000002653534 568797146 /nfs/dbraw/zinc/79/71/46/568797146.db2.gz YCFHBTRLKBDUML-UHFFFAOYSA-N 0 0 406.482 4.535 50 0 HJAARN CC(=O)Nc1ccc(SCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 ZINC000002660081 568798667 /nfs/dbraw/zinc/79/86/67/568798667.db2.gz ZCIBSLHWBFARSJ-UHFFFAOYSA-N 0 0 404.491 4.607 50 0 HJAARN COc1ccccc1/C=C(\NC(=O)c1ccc(C)cc1)C(=O)Nc1ccc(C)cc1 ZINC000211085555 568799410 /nfs/dbraw/zinc/79/94/10/568799410.db2.gz IGTZZBXWSPFGPZ-JWGURIENSA-N 0 0 400.478 4.722 50 0 HJAARN CCCCn1c(SCC(=O)Nc2cccc(C)c2)nc2c3ccccc3oc2c1=O ZINC000002694114 568801283 /nfs/dbraw/zinc/80/12/83/568801283.db2.gz FOTCRBIMRKRBIT-UHFFFAOYSA-N 0 0 421.522 4.982 50 0 HJAARN CCOc1ccc(C(=O)N2CC(=O)Nc3ccc(C)cc3[C@@H]2c2ccc(F)cc2)cc1 ZINC000002724214 568803527 /nfs/dbraw/zinc/80/35/27/568803527.db2.gz KZYROAFHLRIUMD-DEOSSOPVSA-N 0 0 418.468 4.717 50 0 HJAARN O=C(Nc1ccccc1F)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1 ZINC000002725438 568803642 /nfs/dbraw/zinc/80/36/42/568803642.db2.gz KFWKAOXGERUXSB-UHFFFAOYSA-N 0 0 411.138 4.942 50 0 HJAARN Cc1ccccc1O[C@H]1C(=O)N(Cc2ccc(Cl)cc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000002740866 568806056 /nfs/dbraw/zinc/80/60/56/568806056.db2.gz SRBMJECEOPMKOG-XZOQPEGZSA-N 0 0 421.880 4.908 50 0 HJAARN COc1ccccc1CNC(=O)c1cnn2c1nc(-c1ccc(C)cc1)cc2C(F)F ZINC000002769734 568807749 /nfs/dbraw/zinc/80/77/49/568807749.db2.gz TTYVRSOZOFIRKW-UHFFFAOYSA-N 0 0 422.435 4.581 50 0 HJAARN CSc1nnc(C)n1NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)cc1 ZINC000002794462 568810374 /nfs/dbraw/zinc/81/03/74/568810374.db2.gz NXRUUMUBAQMNBC-UHFFFAOYSA-N 0 0 423.325 4.578 50 0 HJAARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccn(COc2ccccc2F)n1 ZINC000002797929 568810568 /nfs/dbraw/zinc/81/05/68/568810568.db2.gz PJUVIDAPMGHHLR-UHFFFAOYSA-N 0 0 413.758 4.983 50 0 HJAARN COc1cccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(C)cc2)c1 ZINC000002915231 568816246 /nfs/dbraw/zinc/81/62/46/568816246.db2.gz NJAZZHWKFVUXHE-JWQCQUIFSA-N 0 0 422.488 4.808 50 0 HJAARN COc1ccc(OC)c(-n2cnc3cc(C(=O)NCCC4=CCCCC4)ccc32)c1 ZINC000002926159 568817548 /nfs/dbraw/zinc/81/75/48/568817548.db2.gz QJMBGUAGJGXRAK-UHFFFAOYSA-N 0 0 405.498 4.663 50 0 HJAARN COc1ccc(Cl)cc1-n1c(C)nc2cc(C(=O)NCCc3ccccc3)ccc21 ZINC000002926442 568817591 /nfs/dbraw/zinc/81/75/91/568817591.db2.gz GMLOMNNJUDWMKA-UHFFFAOYSA-N 0 0 419.912 4.968 50 0 biogenic HJAARN CC(=O)OCC[C@]1(O)CC[C@@H]2[C@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000257349953 568817778 /nfs/dbraw/zinc/81/77/78/568817778.db2.gz SVJXBKQKUHYDPQ-IKNZJXHLSA-N 0 0 418.574 4.565 50 0 HJAARN COc1ccccc1CN1C(=O)c2ccccc2[C@@H]1C(=O)NC1CCCCCCC1 ZINC000002933443 568818442 /nfs/dbraw/zinc/81/84/42/568818442.db2.gz UBRNIBVPZWYGPY-HSZRJFAPSA-N 0 0 406.526 4.621 50 0 HJAARN COc1ccc(OC)c(NC(=O)c2oc(=O)c3ccccc3c2-c2ccccc2)c1 ZINC000002939997 568818992 /nfs/dbraw/zinc/81/89/92/568818992.db2.gz RLVMIWMFVKAKEP-UHFFFAOYSA-N 0 0 401.418 4.730 50 0 HJAARN COC(=O)c1c(NC(=O)CN2CCCCCC2)sc(Cl)c1-c1ccccc1 ZINC000004194438 568821326 /nfs/dbraw/zinc/82/13/26/568821326.db2.gz NAAIHHREMXAVBD-UHFFFAOYSA-N 0 0 406.935 4.670 50 0 HJAARN Cc1ccc(C)c(N2CCN(c3nc(=O)c4scc(-c5ccccc5)c4[nH]3)CC2)c1 ZINC000056987116 568822402 /nfs/dbraw/zinc/82/24/02/568822402.db2.gz KZSWVQUSYORFEM-UHFFFAOYSA-N 0 0 416.550 4.595 50 0 HJAARN COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(Cc2ccncc2)CO4)cc1 ZINC000057121060 568824340 /nfs/dbraw/zinc/82/43/40/568824340.db2.gz BOZGYKPZFOZMIK-UHFFFAOYSA-N 0 0 414.461 4.524 50 0 biogenic HJAARN COc1ccc(C)cc1[C@H](C)NC(=O)N[C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000029332597 568824599 /nfs/dbraw/zinc/82/45/99/568824599.db2.gz CWOOGNYKYOGEAX-MGPUTAFESA-N 0 0 412.921 4.540 50 0 HJAARN Cc1cc(C2=NNC(=Nc3cccc(Cl)c3)SC2)c(C)n1C[C@@H]1CCCO1 ZINC000005866839 568826822 /nfs/dbraw/zinc/82/68/22/568826822.db2.gz DDTWVLFIDFNENQ-KRWDZBQOSA-N 0 0 402.951 4.856 50 0 HJAARN CN(C)c1ccc([C@H](CNC(=O)c2ccccc2F)c2c[nH]c3ccccc32)cc1 ZINC000005898629 568828727 /nfs/dbraw/zinc/82/87/27/568828727.db2.gz ZZVPVFVJAOFNMN-NRFANRHFSA-N 0 0 401.485 4.935 50 0 aggregator HJAARN O=C(NC[C@@H]1CCCO1)c1cc(Sc2ccc(F)cc2F)nc2ccccc21 ZINC000002965151 568830756 /nfs/dbraw/zinc/83/07/56/568830756.db2.gz VETYAGIYHMVXIZ-AWEZNQCLSA-N 0 0 400.450 4.573 50 0 HJAARN Cc1cc(C(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)c(C)n1C ZINC000005994765 568834579 /nfs/dbraw/zinc/83/45/79/568834579.db2.gz SFMQKTVSWNOSHI-UHFFFAOYSA-N 0 0 408.552 4.926 50 0 HJAARN Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2)c1 ZINC000057425417 568834624 /nfs/dbraw/zinc/83/46/24/568834624.db2.gz VQQNMGFJIRTSHR-UHFFFAOYSA-N 0 0 421.547 4.546 50 0 HJAARN Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCC(C)C)c1C ZINC000057426061 568834949 /nfs/dbraw/zinc/83/49/49/568834949.db2.gz QQCKOYDPERVXGB-UHFFFAOYSA-N 0 0 415.584 4.852 50 0 HJAARN CCc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1CCC(C)C ZINC000057425999 568834992 /nfs/dbraw/zinc/83/49/92/568834992.db2.gz BTUCAEBNZKNXFD-UHFFFAOYSA-N 0 0 415.584 4.797 50 0 HJAARN Cc1cccc(Cl)c1NC(=O)CSc1nc2ccsc2c(=O)n1CC(C)C ZINC000057426286 568835154 /nfs/dbraw/zinc/83/51/54/568835154.db2.gz MBDLLZKKDBVBET-UHFFFAOYSA-N 0 0 421.975 4.807 50 0 HJAARN CCCCn1c(SCC(=O)Nc2cccc(C)c2C)nc2ccsc2c1=O ZINC000057426418 568835317 /nfs/dbraw/zinc/83/53/17/568835317.db2.gz UEOIZYRIZRSRID-UHFFFAOYSA-N 0 0 401.557 4.606 50 0 HJAARN CCCCn1c(=O)c2sccc2nc1SCC(=O)Nc1ccc(C)cc1Cl ZINC000057426384 568835320 /nfs/dbraw/zinc/83/53/20/568835320.db2.gz WVMDLWKYFKJYIH-UHFFFAOYSA-N 0 0 421.975 4.951 50 0 HJAARN COc1cc2c(cc1OC)[C@H](COc1ccc(F)cc1)N(C(=O)c1ccccc1)CC2 ZINC000003006332 568837258 /nfs/dbraw/zinc/83/72/58/568837258.db2.gz QZJQCFIGBOVSMC-QFIPXVFZSA-N 0 0 421.468 4.662 50 0 HJAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NC4CCCCC4)cc3N2)cc1 ZINC000003011331 568838087 /nfs/dbraw/zinc/83/80/87/568838087.db2.gz WIDCSIMUOYJTPE-AEFFLSMTSA-N 0 0 406.452 4.914 50 0 HJAARN Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCc4ccccc4)cc3N2)cc1 ZINC000003011355 568838127 /nfs/dbraw/zinc/83/81/27/568838127.db2.gz UFVYZBMQGDAASX-PKOBYXMFSA-N 0 0 414.431 4.782 50 0 HJAARN O=C(CSc1ncc(-c2ccccc2)n1C(=O)c1ccccc1)Nc1ccccc1 ZINC000001224380 568840999 /nfs/dbraw/zinc/84/09/99/568840999.db2.gz KFDMRGLPMFFVRX-UHFFFAOYSA-N 0 0 413.502 4.969 50 0 HJAARN CCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC[C@H]3CC)ccc2F)cc1 ZINC000003024675 568841028 /nfs/dbraw/zinc/84/10/28/568841028.db2.gz NYQSBGHUMVDMPT-GOSISDBHSA-N 0 0 418.534 4.594 50 0 HJAARN Cc1cc(Br)ccc1NC(=O)COc1ccc(Oc2ccccn2)cc1 ZINC000012521756 568842053 /nfs/dbraw/zinc/84/20/53/568842053.db2.gz OHGYJNPTGYJXJP-UHFFFAOYSA-N 0 0 413.271 4.962 50 0 HJAARN CCOC(=O)c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000003028616 568842254 /nfs/dbraw/zinc/84/22/54/568842254.db2.gz QRYBPNSOJLAKRE-UHFFFAOYSA-N 0 0 423.534 4.563 50 0 HJAARN Cc1ccc(-n2cnnc2S[C@@H](C(=O)N2CCCC2)c2ccccc2)cc1Cl ZINC000012524986 568842634 /nfs/dbraw/zinc/84/26/34/568842634.db2.gz WIXNXSPNQOWUDZ-LJQANCHMSA-N 0 0 412.946 4.685 50 0 HJAARN CCN(Cc1ccccc1)C(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC000057486730 568842641 /nfs/dbraw/zinc/84/26/41/568842641.db2.gz LDBJYKFSBBDWGV-UHFFFAOYSA-N 0 0 420.900 4.907 50 0 HJAARN O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)N1CCCc2ccccc21 ZINC000057487253 568842942 /nfs/dbraw/zinc/84/29/42/568842942.db2.gz MBMQNYPQFLLXKW-UHFFFAOYSA-N 0 0 418.884 4.838 50 0 HJAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cccc(C)c2)cc1 ZINC000057487385 568843168 /nfs/dbraw/zinc/84/31/68/568843168.db2.gz UWQINBBBXZFQII-UHFFFAOYSA-N 0 0 421.547 4.795 50 0 HJAARN Cc1cc(C)c(NC(=O)CS[C@H](C)c2nc(N)nc(Nc3ccccc3)n2)c(C)c1 ZINC000012528462 568843856 /nfs/dbraw/zinc/84/38/56/568843856.db2.gz GEMKOBJBGJCLEY-MRXNPFEDSA-N 0 0 422.558 4.556 50 0 HJAARN O=C1CN(C2CCCCC2)C(=O)[C@H](c2ccc(F)cc2)N1Cc1ccccc1Cl ZINC000003037663 568845923 /nfs/dbraw/zinc/84/59/23/568845923.db2.gz HFGXJSZDSQQJJU-QFIPXVFZSA-N 0 0 414.908 4.724 50 0 HJAARN CC(C)Cn1c(-c2ccc(-c3ccccc3)cc2)nc2c1c(=O)[nH]c(=O)n2CC(C)C ZINC000012537756 568846144 /nfs/dbraw/zinc/84/61/44/568846144.db2.gz LEFXSXUAAWVXLH-UHFFFAOYSA-N 0 0 416.525 4.532 50 0 HJAARN COc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2CCC2=CCCCC2)cc1 ZINC000003039896 568846324 /nfs/dbraw/zinc/84/63/24/568846324.db2.gz JZQYUJCZQQAUQF-XMMPIXPASA-N 0 0 410.558 4.630 50 0 HJAARN O=C(Cn1cnc2c3ccccc3sc2c1=O)Nc1cc(Cl)cc(Cl)c1 ZINC000057508040 568847511 /nfs/dbraw/zinc/84/75/11/568847511.db2.gz QEKOPWOQHGDPHU-UHFFFAOYSA-N 0 0 404.278 4.557 50 0 HJAARN COc1ccc(C(=O)COC(=O)CSc2cc(C)c(Br)cc2C)cc1 ZINC000003233496 568847593 /nfs/dbraw/zinc/84/75/93/568847593.db2.gz YZMBFYTZHKLVSC-UHFFFAOYSA-N 0 0 423.328 4.593 50 0 HJAARN Cc1nn(-c2ccccc2)c2sc(C(=O)N(C)[C@H](C)[C@H](O)c3ccccc3)cc12 ZINC000003235865 568847857 /nfs/dbraw/zinc/84/78/57/568847857.db2.gz SNCBQDISOXPOKY-IERDGZPVSA-N 0 0 405.523 4.590 50 0 HJAARN C[C@@H](NC(=O)c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F)c1ccccc1 ZINC000003044708 568848597 /nfs/dbraw/zinc/84/85/97/568848597.db2.gz BSSAJMGOBFWEEW-GFCCVEGCSA-N 0 0 416.428 4.968 50 0 HJAARN O=C(c1ccc(F)cc1)N1CCC[C@H](C(=O)N2C[C@H]3CCCC[C@]32c2ccccc2)C1 ZINC000230124309 568849383 /nfs/dbraw/zinc/84/93/83/568849383.db2.gz SKBVCKTXIHKMKH-HXAGEGRHSA-N 0 0 420.528 4.606 50 0 HJAARN O=C(COc1ncnc2ccccc21)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000003268922 568849659 /nfs/dbraw/zinc/84/96/59/568849659.db2.gz YTEMYAQPJJDIKM-UHFFFAOYSA-N 0 0 417.852 4.532 50 0 HJAARN CC[C@@H](C)N(C(=S)Nc1cccc(C(F)(F)F)c1)C1CCN(C(C)=O)CC1 ZINC000003054653 568851586 /nfs/dbraw/zinc/85/15/86/568851586.db2.gz CDDXFXBYMXTUTK-CYBMUJFWSA-N 0 0 401.498 4.514 50 0 HJAARN CSCc1nc2ccccc2n1CC(=O)Nc1ccc(N2CCCCCC2)cc1 ZINC000012550828 568853423 /nfs/dbraw/zinc/85/34/23/568853423.db2.gz JHXGZJKQEFLHIF-UHFFFAOYSA-N 0 0 408.571 4.918 50 0 HJAARN CCOC(=O)c1cc(CC)sc1NC(=O)CNc1cc(Cl)cc(Cl)c1 ZINC000003340230 568855417 /nfs/dbraw/zinc/85/54/17/568855417.db2.gz YYOJWGBCDCNMLZ-UHFFFAOYSA-N 0 0 401.315 4.845 50 0 HJAARN Cc1nc(COc2cccc(C(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)c2)cs1 ZINC000012559403 568857122 /nfs/dbraw/zinc/85/71/22/568857122.db2.gz GJFQTHIOOYDHNP-INIZCTEOSA-N 0 0 418.522 4.707 50 0 HJAARN O=C(CNc1ccc(Br)cc1Br)N1CCCc2ccccc21 ZINC000057653031 568857433 /nfs/dbraw/zinc/85/74/33/568857433.db2.gz KTRRGKOGYXNDEF-UHFFFAOYSA-N 0 0 424.136 4.603 50 0 HJAARN C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N(C)CC(=O)Nc1ccc(Cl)cc1 ZINC000003395897 568857942 /nfs/dbraw/zinc/85/79/42/568857942.db2.gz CCYZETWVINEOAS-LLVKDONJSA-N 0 0 414.720 4.544 50 0 HJAARN O=C(CNC(=O)C(c1ccccc1)c1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000003423043 568858875 /nfs/dbraw/zinc/85/88/75/568858875.db2.gz ZINGIVPGIIEDBR-UHFFFAOYSA-N 0 0 413.304 4.880 50 0 HJAARN CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C)cc1)cc2Br ZINC000003170045 568859371 /nfs/dbraw/zinc/85/93/71/568859371.db2.gz WWQOQJIJSNAGGE-UHFFFAOYSA-N 0 0 422.300 4.816 50 0 HJAARN CN(C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)[C@@H]1CCCc2ccccc21 ZINC000012568040 568860711 /nfs/dbraw/zinc/86/07/11/568860711.db2.gz HUXQEWLVHMYFGU-OAQYLSRUSA-N 0 0 418.566 4.773 50 0 HJAARN CC[C@H](C)c1ccccc1NC(=O)NCc1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000012568251 568860909 /nfs/dbraw/zinc/86/09/09/568860909.db2.gz CGEPMAGNJAXILZ-KRWDZBQOSA-N 0 0 417.575 4.552 50 0 HJAARN O=C(c1cccc(Br)c1)n1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000003206826 568861819 /nfs/dbraw/zinc/86/18/19/568861819.db2.gz UUBQRYCIWXOUIC-UHFFFAOYSA-N 0 0 403.235 4.699 50 0 HJAARN C[C@@H](NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12)c1ccc(F)cc1F ZINC000012575625 568862370 /nfs/dbraw/zinc/86/23/70/568862370.db2.gz LPZMTLVVHYQTCB-GFCCVEGCSA-N 0 0 415.440 4.900 50 0 HJAARN O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc(Br)cc1 ZINC000003217068 568862712 /nfs/dbraw/zinc/86/27/12/568862712.db2.gz DWFJIHCUPBRUFO-UHFFFAOYSA-N 0 0 424.294 4.763 50 0 HJAARN C[C@@H](CCc1ccccc1)NC(=O)CSc1nn(-c2ccccc2)c(=S)s1 ZINC000003605417 568863969 /nfs/dbraw/zinc/86/39/69/568863969.db2.gz NYPJNSDGYYVXNI-HNNXBMFYSA-N 0 0 415.609 4.893 50 0 HJAARN Cc1nn(CC(C)C)c2sc(C(=O)N3CCC[C@@H]3c3nc4ccccc4[nH]3)cc12 ZINC000012580877 568864233 /nfs/dbraw/zinc/86/42/33/568864233.db2.gz VOIKGFMIAIZZBB-GOSISDBHSA-N 0 0 407.543 4.916 50 0 HJAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3ccc(F)cc3)N2C1=O ZINC000003636828 568865194 /nfs/dbraw/zinc/86/51/94/568865194.db2.gz KWUNAFNQJOCBHJ-ICSRJNTNSA-N 0 0 424.497 4.608 50 0 HJAARN O=C(Nc1ccc(F)cc1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000003644868 568865927 /nfs/dbraw/zinc/86/59/27/568865927.db2.gz UVBMXNYNUASZPX-XMMPIXPASA-N 0 0 420.509 4.895 50 0 HJAARN COc1ccc2nc(NC(=O)CSc3nc(C)cc(-c4ccccc4)n3)sc2c1 ZINC000003237966 568866014 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405.479 4.972 50 0 HJAARN COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@]32CCOC(C)(C)C2)cc1 ZINC000001321804 568914550 /nfs/dbraw/zinc/91/45/50/568914550.db2.gz JMYJAWUSQAQZRN-YKSBVNFPSA-N 0 0 408.498 4.533 50 0 biogenic HJAARN CCOC(=O)[C@H](C)Sc1ncc(CO)n1CCC(c1ccccc1)c1ccccc1 ZINC000004155521 568916962 /nfs/dbraw/zinc/91/69/62/568916962.db2.gz XTUNYTABMJYCFH-SFHVURJKSA-N 0 0 424.566 4.641 50 0 HJAARN CC(C)(NC(=O)[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1)c1cccc2ccccc21 ZINC000012718918 568917929 /nfs/dbraw/zinc/91/79/29/568917929.db2.gz VRZUASAIRPCUTJ-HXUWFJFHSA-N 0 0 418.512 4.769 50 0 HJAARN CCn1c(=S)n(CN2C[C@H](c3ccccc3Cl)OCC2(C)C)nc1C1CC1 ZINC000083836819 568918073 /nfs/dbraw/zinc/91/80/73/568918073.db2.gz YBJHOYAIMHQOMJ-QGZVFWFLSA-N 0 0 406.983 4.774 50 0 HJAARN CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2NC(=O)c2cccs2)cc1 ZINC000058439779 568918853 /nfs/dbraw/zinc/91/88/53/568918853.db2.gz FZUKVSYXYGNALY-HNNXBMFYSA-N 0 0 422.506 4.747 50 0 HJAARN COc1ccc(-c2nc(CCNC(=O)c3ccccc3C(F)(F)F)cs2)cc1 ZINC000004167095 568919599 /nfs/dbraw/zinc/91/95/99/568919599.db2.gz JZDMRNYOPLDGIM-UHFFFAOYSA-N 0 0 406.429 4.810 50 0 HJAARN Cc1c(CCNC(=O)c2ccc(C)c(C)c2)sc2nc(-c3ccc(C)cc3)nn12 ZINC000004570213 568923936 /nfs/dbraw/zinc/92/39/36/568923936.db2.gz JQEMBPOXPJTZMF-UHFFFAOYSA-N 0 0 404.539 4.664 50 0 HJAARN COc1ccc(C)cc1Nc1c2c(nc3nc(Cc4ccc(C)cc4)nn31)CCCC2 ZINC000046022968 568924143 /nfs/dbraw/zinc/92/41/43/568924143.db2.gz LGNYVVFJUVQKLW-UHFFFAOYSA-N 0 0 413.525 4.963 50 0 HJAARN CC[C@@H](C(=O)NCc1cc2cc(OC)ccc2[nH]1)n1cc(C(C)=O)c2ccccc21 ZINC000670449725 568925179 /nfs/dbraw/zinc/92/51/79/568925179.db2.gz MRJCNNKBDFTEOH-QFIPXVFZSA-N 0 0 403.482 4.601 50 0 HJAARN Cc1cc2nc(C)c(CCC(=O)N3CCC[C@H]3c3nc4ccccc4s3)c(C)n2n1 ZINC000031390762 568925429 /nfs/dbraw/zinc/92/54/29/568925429.db2.gz IWGYQCVNQLJSRG-IBGZPJMESA-N 0 0 419.554 4.561 50 0 HJAARN O=C(Nc1ccccc1C(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1cccs1 ZINC000012737111 568925658 /nfs/dbraw/zinc/92/56/58/568925658.db2.gz RURQQKABXTUVCQ-IBGZPJMESA-N 0 0 423.538 4.550 50 0 HJAARN O=C(CCc1nnc(-c2ccccc2)o1)Nc1cc(Cl)ccc1N1CCCCC1 ZINC000031487068 568926774 /nfs/dbraw/zinc/92/67/74/568926774.db2.gz PCPUARGYCNADCX-UHFFFAOYSA-N 0 0 410.905 4.952 50 0 HJAARN O=C(c1cn(-c2ncc(C(F)(F)F)cc2Cl)nn1)c1ccc2ccccc2c1 ZINC000001403860 568927633 /nfs/dbraw/zinc/92/76/33/568927633.db2.gz KHXGPWLODIEJOW-UHFFFAOYSA-N 0 0 402.763 4.719 50 0 HJAARN COc1ccc(C(=O)C2CCN(C(=O)CCCc3nc4ccccc4s3)CC2)cc1 ZINC000012740859 568928966 /nfs/dbraw/zinc/92/89/66/568928966.db2.gz JQDCTJCCLOUZQA-UHFFFAOYSA-N 0 0 422.550 4.749 50 0 HJAARN Cc1nc2cc(NC(=O)COc3c(C)cc(Br)cc3Cl)ccc2o1 ZINC000012740862 568928970 /nfs/dbraw/zinc/92/89/70/568928970.db2.gz HYXKLDKCFGZADK-UHFFFAOYSA-N 0 0 409.667 4.878 50 0 HJAARN CC(C)C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1C(=O)c2ccccc2C1=O ZINC000001409876 568929155 /nfs/dbraw/zinc/92/91/55/568929155.db2.gz QBJMBRSMZFCIJJ-KRWDZBQOSA-N 0 0 405.281 4.643 50 0 HJAARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)[C@@H](C)Oc1cccc(Cl)c1Cl ZINC000031696154 568929197 /nfs/dbraw/zinc/92/91/97/568929197.db2.gz JVALGYHIWWVFGQ-CYBMUJFWSA-N 0 0 410.297 4.581 50 0 HJAARN COc1ccc2nc(Cl)c(C(=O)Nc3ccccc3C(=O)N3CCCCC3)cc2c1 ZINC000083970172 568929321 /nfs/dbraw/zinc/92/93/21/568929321.db2.gz SNKACQXGPNLAEI-UHFFFAOYSA-N 0 0 423.900 4.775 50 0 HJAARN CC(C)c1cc(NC(=O)COc2ccc(Cl)cc2C(=O)Nc2ccccc2)on1 ZINC000031790347 568931496 /nfs/dbraw/zinc/93/14/96/568931496.db2.gz XYCIVTCUHMUPAS-UHFFFAOYSA-N 0 0 413.861 4.721 50 0 HJAARN CCCCOc1ccc(/C=C/[C@]23NC(=O)CN2c2ccc(C)cc2C3(C)C)cc1OC ZINC000004000153 568932041 /nfs/dbraw/zinc/93/20/41/568932041.db2.gz CEHLFDNBLPBLRP-JYSHFMIGSA-N 0 0 420.553 4.820 50 0 biogenic HJAARN Cc1[nH]c2ccc(C(=O)N3CCO[C@H](c4ccc(Br)cc4)C3)cc2c1C ZINC000083996563 568932634 /nfs/dbraw/zinc/93/26/34/568932634.db2.gz JKVJVURMJFCZHZ-FQEVSTJZSA-N 0 0 413.315 4.761 50 0 HJAARN CC(=O)c1c(C)[nH]c(C(=O)Cn2nc(C)nc2-c2ccc(Cl)c(Cl)c2)c1C ZINC000084007845 568932721 /nfs/dbraw/zinc/93/27/21/568932721.db2.gz XHIRGXWMYFVUJP-UHFFFAOYSA-N 0 0 405.285 4.591 50 0 HJAARN COc1cccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@]32CCOC(C)(C)C2)c1 ZINC000004029773 568934530 /nfs/dbraw/zinc/93/45/30/568934530.db2.gz UFIMLKDNTIHZMN-RDPSFJRHSA-N 0 0 408.498 4.533 50 0 biogenic HJAARN Cc1ccc(NC(=O)Nc2snnc2C(=O)Nc2cccc(Cl)c2C)cc1 ZINC000001417014 568934649 /nfs/dbraw/zinc/93/46/49/568934649.db2.gz ZPBROLOXYIDQSM-UHFFFAOYSA-N 0 0 401.879 4.705 50 0 HJAARN Cc1sc2nc(-c3cccs3)nc(N3CCCN(c4cccnn4)CC3)c2c1C ZINC000084065501 568934724 /nfs/dbraw/zinc/93/47/24/568934724.db2.gz QXZPMGNMHJIORK-UHFFFAOYSA-N 0 0 422.583 4.543 50 0 HJAARN Cc1c(Cl)cccc1NC(=S)N1CCc2[nH]cnc2[C@H]1c1ccc(F)cc1 ZINC000004033739 568935251 /nfs/dbraw/zinc/93/52/51/568935251.db2.gz URAJUWYRMVQNON-LJQANCHMSA-N 0 0 400.910 4.855 50 0 HJAARN CCc1c(C)c2ccc(OCC(=O)c3ccc(Br)cc3)c(C)c2oc1=O ZINC000004043328 568936073 /nfs/dbraw/zinc/93/60/73/568936073.db2.gz BCMKDIKKWXCAET-UHFFFAOYSA-N 0 0 415.283 4.996 50 0 biogenic HJAARN COc1ccc(OC)c([C@@H]2c3cccn3CCN2C(=S)Nc2cccc(C)c2)c1 ZINC000004059447 568936879 /nfs/dbraw/zinc/93/68/79/568936879.db2.gz IIQBXIMPAIVUDQ-JOCHJYFZSA-N 0 0 407.539 4.616 50 0 HJAARN CCOC(=O)C1=C(CSc2ccc(C)cc2)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000001421925 568938242 /nfs/dbraw/zinc/93/82/42/568938242.db2.gz QNAPTQJVQWCIPV-OAQYLSRUSA-N 0 0 410.539 4.575 50 0 HJAARN COc1ccc([C@@H]2OC(=O)N(CCC3=CCCCC3)[C@]2(O)c2ccc(OC)cc2)cc1 ZINC000001422797 568938417 /nfs/dbraw/zinc/93/84/17/568938417.db2.gz VSSWJASGGVCXDE-ZCYQVOJMSA-N 0 0 423.509 4.933 50 0 HJAARN CCOC(=O)C1=C(CSc2ccc(C)cc2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000001425260 568938992 /nfs/dbraw/zinc/93/89/92/568938992.db2.gz QSKSMTNSLKOVEW-IBGZPJMESA-N 0 0 416.930 4.612 50 0 HJAARN Cc1cc(NC(=O)[C@@H](Sc2nc3cc(Cl)ccc3n2C)c2ccccc2)no1 ZINC000084119879 568939043 /nfs/dbraw/zinc/93/90/43/568939043.db2.gz UJTKGMCEKLTQPG-SFHVURJKSA-N 0 0 412.902 4.995 50 0 HJAARN O=C1OCC2=C1[C@@H](c1ccccc1Cl)CC(=O)N2c1cccc(C(F)(F)F)c1 ZINC000001429527 568939836 /nfs/dbraw/zinc/93/98/36/568939836.db2.gz CNIUXXDPNLKBKY-CQSZACIVSA-N 0 0 407.775 4.690 50 0 HJAARN CCOc1ccc(S(=O)(=O)NCCc2c(C)[nH]c3ccccc32)cc1C(C)C ZINC000001430695 568940045 /nfs/dbraw/zinc/94/00/45/568940045.db2.gz ZGPCCQUXHLDYJG-UHFFFAOYSA-N 0 0 400.544 4.519 50 0 HJAARN O=C1[C@@H]2CS[C@@H](c3ccc(C(F)(F)F)cc3)N2C(=S)N1c1ccc(F)cc1 ZINC000001430464 568940092 /nfs/dbraw/zinc/94/00/92/568940092.db2.gz NKINRGOHQGWRQI-HOCLYGCPSA-N 0 0 412.433 4.592 50 0 HJAARN Cc1cc(C)cc(NC(=O)COc2cccc3c2CCN(Cc2ccccc2)C3=O)c1 ZINC000004089125 568941460 /nfs/dbraw/zinc/94/14/60/568941460.db2.gz QSGILUTZTXYVDY-UHFFFAOYSA-N 0 0 414.505 4.519 50 0 HJAARN COc1ccc(NC(=O)Cc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)c(OC)c1 ZINC000004089835 568941847 /nfs/dbraw/zinc/94/18/47/568941847.db2.gz CCCCJMDPASTRRF-UHFFFAOYSA-N 0 0 421.449 4.663 50 0 biogenic HJAARN CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3CC)c2)cc1 ZINC000012755474 568942903 /nfs/dbraw/zinc/94/29/03/568942903.db2.gz APDNTIOYRXZQRQ-UHFFFAOYSA-N 0 0 424.522 4.701 50 0 HJAARN COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)c1 ZINC000012757428 568943238 /nfs/dbraw/zinc/94/32/38/568943238.db2.gz FFARSQZQGLUMIM-INIZCTEOSA-N 0 0 405.560 4.658 50 0 HJAARN CC(=O)N(c1nc(Cn2sc3ccccc3c2=O)cs1)c1cccc(C)c1C ZINC000084213396 568944622 /nfs/dbraw/zinc/94/46/22/568944622.db2.gz PYPMEVJNDHXFEW-UHFFFAOYSA-N 0 0 409.536 4.869 50 0 HJAARN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1C ZINC000004122484 568944959 /nfs/dbraw/zinc/94/49/59/568944959.db2.gz QUPWYTVORPMEND-UHFFFAOYSA-N 0 0 416.506 4.942 50 0 HJAARN CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1ccncc1 ZINC000004130151 568945161 /nfs/dbraw/zinc/94/51/61/568945161.db2.gz KUFWQKUJCRKHBD-UHFFFAOYSA-N 0 0 415.522 4.817 50 0 HJAARN Cn1c(COc2ccc3ccccc3c2)nnc1SCC(=O)OC1CCCCC1 ZINC000004130199 568945223 /nfs/dbraw/zinc/94/52/23/568945223.db2.gz KOFRIUSXPAUCBG-UHFFFAOYSA-N 0 0 411.527 4.515 50 0 HJAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)/C=C/c2ccccc2Br)c1 ZINC000012761055 568945452 /nfs/dbraw/zinc/94/54/52/568945452.db2.gz NWMOUFQMFCSHER-VSRDTVRMSA-N 0 0 416.315 4.843 50 0 HJAARN O=[S@](Cc1cccc(C(F)(F)F)c1)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000084364558 568947379 /nfs/dbraw/zinc/94/73/79/568947379.db2.gz AFUGHAIPVYKGFZ-SANMLTNESA-N 0 0 404.837 4.969 50 0 HJAARN COc1ccc(C(=O)Nc2c3c(nn2-c2cc(C)cc(C)c2)CSC3)cc1OC ZINC000004176175 568948672 /nfs/dbraw/zinc/94/86/72/568948672.db2.gz YWPHSXIRHGUAMX-UHFFFAOYSA-N 0 0 409.511 4.505 50 0 HJAARN Cc1cc(C)cc(-n2nc3c(c2NC(=O)COc2ccc(Cl)cc2)CSC3)c1 ZINC000004176230 568948691 /nfs/dbraw/zinc/94/86/91/568948691.db2.gz KBNMXQXVTKRDSG-UHFFFAOYSA-N 0 0 413.930 4.907 50 0 HJAARN O=C1CS[C@H](c2ccc(F)cc2)N1c1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000004181603 568949372 /nfs/dbraw/zinc/94/93/72/568949372.db2.gz BXVSXODMCLQYGT-IWGLNFRWSA-N 0 0 415.559 4.924 50 0 aggregator HJAARN O=C(c1cc2cc(Br)ccc2o1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000084522215 568949985 /nfs/dbraw/zinc/94/99/85/568949985.db2.gz SSVYPKATBAAXAS-HXUWFJFHSA-N 0 0 414.299 4.781 50 0 HJAARN O=C(CSc1nnc(-c2ccco2)n1-c1cccc(Cl)c1)NCc1ccccc1 ZINC000004186412 568950044 /nfs/dbraw/zinc/95/00/44/568950044.db2.gz WMANKALTPWDTOJ-UHFFFAOYSA-N 0 0 424.913 4.589 50 0 HJAARN COc1ccc(NC(=O)CSc2nccn2-c2cccc(C(F)(F)F)c2)cc1 ZINC000004248707 568953734 /nfs/dbraw/zinc/95/37/34/568953734.db2.gz UOLJXOQCHLGFKL-UHFFFAOYSA-N 0 0 407.417 4.631 50 0 HJAARN COc1cc(Cl)ccc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000004269998 568956561 /nfs/dbraw/zinc/95/65/61/568956561.db2.gz OTBVUIZXLIEZPR-UHFFFAOYSA-N 0 0 401.915 4.740 50 0 HJAARN COc1cccc(CSc2nnc(-c3ccc4c(c3)OCO4)n2-c2ccccc2)c1 ZINC000004269168 568956568 /nfs/dbraw/zinc/95/65/68/568956568.db2.gz PAWODNMFYMMEEJ-UHFFFAOYSA-N 0 0 417.490 4.964 50 0 HJAARN C[C@@H]1CN(C(=O)NC[C@H]2CCN(c3cccc(Br)c3)C2)c2ccccc21 ZINC000084715167 568956891 /nfs/dbraw/zinc/95/68/91/568956891.db2.gz WMYCCIJQCYIBJG-HZPDHXFCSA-N 0 0 414.347 4.609 50 0 HJAARN O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)N[C@H]1CCSc2c(F)cccc21 ZINC000012783266 568958561 /nfs/dbraw/zinc/95/85/61/568958561.db2.gz PUCLESQDTFYTPY-NRFANRHFSA-N 0 0 420.509 4.576 50 0 HJAARN Cc1nc(CSCC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cs1 ZINC000012785396 568959842 /nfs/dbraw/zinc/95/98/42/568959842.db2.gz MXZXIEPMZHHQQS-UHFFFAOYSA-N 0 0 402.516 4.933 50 0 HJAARN COc1ccc(Cl)cc1C(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 ZINC000004305559 568960333 /nfs/dbraw/zinc/96/03/33/568960333.db2.gz FTUACGDCRSMWLS-LJQANCHMSA-N 0 0 412.942 4.944 50 0 HJAARN O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000012787138 568960361 /nfs/dbraw/zinc/96/03/61/568960361.db2.gz HGZPZIHCGSIIBL-UHFFFAOYSA-N 0 0 405.845 4.841 50 0 HJAARN CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000012786674 568960386 /nfs/dbraw/zinc/96/03/86/568960386.db2.gz UMWMUBOADXFWQP-UHFFFAOYSA-N 0 0 419.481 4.813 50 0 HJAARN Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000012786915 568960466 /nfs/dbraw/zinc/96/04/66/568960466.db2.gz AYGVFKMGMIRKRQ-LSDHHAIUSA-N 0 0 412.481 4.544 50 0 HJAARN O=C(CN1CCC(c2nc3ccccc3[nH]2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000004315254 568961556 /nfs/dbraw/zinc/96/15/56/568961556.db2.gz UDLRCDOXBITDCO-UHFFFAOYSA-N 0 0 403.313 4.688 50 0 HJAARN CCOc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(C)cc2)s1 ZINC000007979352 568963312 /nfs/dbraw/zinc/96/33/12/568963312.db2.gz BBFLONCBXWOBDD-UHFFFAOYSA-N 0 0 400.529 4.720 50 0 HJAARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 ZINC000007979634 568963316 /nfs/dbraw/zinc/96/33/16/568963316.db2.gz NJNYAYZXDXAGJL-UHFFFAOYSA-N 0 0 419.437 4.845 50 0 HJAARN COc1ccc(NC(=O)c2nc(-c3cccc(F)c3)n3c2CCCCC3)cc1OC ZINC000015679052 568966582 /nfs/dbraw/zinc/96/65/82/568966582.db2.gz NLZMWWLVLHNESA-UHFFFAOYSA-N 0 0 409.461 4.685 50 0 HJAARN O=S(=O)(N[C@@H]1CCSc2ccccc21)c1ccc(Cl)cc1C(F)(F)F ZINC000007990493 568966824 /nfs/dbraw/zinc/96/68/24/568966824.db2.gz CAXDCMRKPKZUIG-CYBMUJFWSA-N 0 0 407.866 4.874 50 0 HJAARN O=C(Cc1ccc2c(c1)OCCO2)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000007990537 568966959 /nfs/dbraw/zinc/96/69/59/568966959.db2.gz GSULMHCYRJUVSQ-UHFFFAOYSA-N 0 0 420.534 4.569 50 0 HJAARN O=C(Cn1c2ccccc2nc1NCc1ccccc1)Nc1ccc(F)c(F)c1F ZINC000008012977 568968412 /nfs/dbraw/zinc/96/84/12/568968412.db2.gz WKTWNUUBPIKVNQ-UHFFFAOYSA-N 0 0 410.399 4.704 50 0 HJAARN CCOc1ccc(CCNC(=O)c2cc3cccc4c3n2C[C@@H](C)S4)cc1OCC ZINC000015682036 568968506 /nfs/dbraw/zinc/96/85/06/568968506.db2.gz VTFJXOJLXNYLFS-MRXNPFEDSA-N 0 0 424.566 4.905 50 0 HJAARN O=C(CSc1nnc(-c2cccs2)n1C1CC1)N[C@@H]1CCCc2ccccc21 ZINC000008076453 568972794 /nfs/dbraw/zinc/97/27/94/568972794.db2.gz XZIRCLRJARPHIW-QGZVFWFLSA-N 0 0 410.568 4.627 50 0 HJAARN COc1ccc(CCNC(=O)COc2cc(C)c(Cl)cc2C(C)C)cc1OC ZINC000008115201 568974416 /nfs/dbraw/zinc/97/44/16/568974416.db2.gz QYNKVCQZLSCXLY-UHFFFAOYSA-N 0 0 405.922 4.527 50 0 HJAARN O=C(CSc1cc(F)ccc1F)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000008132387 568975851 /nfs/dbraw/zinc/97/58/51/568975851.db2.gz QFGSAPAEEUOELZ-UHFFFAOYSA-N 0 0 414.481 4.681 50 0 HJAARN CCn1c(SCC(=O)N2CC[C@H](C)Sc3ccccc32)nnc1-c1ccco1 ZINC000008133091 568976286 /nfs/dbraw/zinc/97/62/86/568976286.db2.gz JRBUEQPVIIXUPH-AWEZNQCLSA-N 0 0 414.556 4.568 50 0 HJAARN O=C(C[C@@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O)NCc1cccc(Cl)c1 ZINC000015720942 568976572 /nfs/dbraw/zinc/97/65/72/568976572.db2.gz GNXDAZDOJRTYOR-QFIPXVFZSA-N 0 0 422.887 4.883 50 0 HJAARN O=C(COc1ccc2ccccc2c1)NC[C@@H](c1ccco1)N1CCc2ccccc21 ZINC000004305123 568976864 /nfs/dbraw/zinc/97/68/64/568976864.db2.gz CKBLDXVNBVQVQR-DEOSSOPVSA-N 0 0 412.489 4.732 50 0 HJAARN O=C(COc1ccc(Oc2ccccc2)cc1)Nc1nc(CN2CCCC2)cs1 ZINC000012802533 568979027 /nfs/dbraw/zinc/97/90/27/568979027.db2.gz BQZMDZLROKXCTI-UHFFFAOYSA-N 0 0 409.511 4.549 50 0 HJAARN O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccc(N2CCCC2)cc1 ZINC000008162431 568979091 /nfs/dbraw/zinc/97/90/91/568979091.db2.gz PGIMBXLFXUMACA-VWLOTQADSA-N 0 0 417.578 4.935 50 0 HJAARN Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000005244471 568979457 /nfs/dbraw/zinc/97/94/57/568979457.db2.gz LQCHXUPAHRQSFS-UHFFFAOYSA-N 0 0 405.237 4.752 50 0 HJAARN CCN(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1ccc2c(c1)OCO2 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/nfs/dbraw/zinc/04/72/91/569047291.db2.gz CZNHKHZTWOKAOC-UHFFFAOYSA-N 0 0 420.865 4.789 50 0 HJAARN Cc1ccc(C(=O)c2ccccc2C(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000012990063 569047553 /nfs/dbraw/zinc/04/75/53/569047553.db2.gz WHPPLMCHSFFUPF-UHFFFAOYSA-N 0 0 414.505 4.520 50 0 HJAARN COc1ccc(OC)c([C@H](C)NC(=O)/C=C/c2ccc(OCc3ccccn3)cc2)c1 ZINC000040079632 569048050 /nfs/dbraw/zinc/04/80/50/569048050.db2.gz XQHRGBJLWXJJLT-MXHVWWQHSA-N 0 0 418.493 4.568 50 0 HJAARN CCOc1c(Br)cc(F)cc1NC(=O)c1ccc(Br)o1 ZINC000012998487 569048882 /nfs/dbraw/zinc/04/88/82/569048882.db2.gz HIAVLIXKKJEPIP-UHFFFAOYSA-N 0 0 407.033 4.595 50 0 HJAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000012999402 569049124 /nfs/dbraw/zinc/04/91/24/569049124.db2.gz PJWMRABLYRWCKP-CQSZACIVSA-N 0 0 400.935 4.837 50 0 HJAARN O=C(CCc1nnc(-c2ccsc2)o1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000013014576 569050775 /nfs/dbraw/zinc/05/07/75/569050775.db2.gz FSSUTWYBSFKPCQ-NRFANRHFSA-N 0 0 421.547 4.967 50 0 HJAARN Cc1cccc2sc(C(=O)NCc3ccc(CN4CCOCC4)cc3)c(Cl)c21 ZINC000013015108 569050793 /nfs/dbraw/zinc/05/07/93/569050793.db2.gz PARBXICWQFDDDW-UHFFFAOYSA-N 0 0 414.958 4.625 50 0 HJAARN COc1cc2c(cc1OC)CN(C(=O)C[C@@H](c1ccc(Cl)cc1)n1cccc1)CC2 ZINC000253398888 569051472 /nfs/dbraw/zinc/05/14/72/569051472.db2.gz CJOPSVVOBWGESC-NRFANRHFSA-N 0 0 424.928 4.723 50 0 HJAARN COC(=O)c1c(NC(=O)CCCOc2ccc(C)cc2)sc2c1CC[C@@H](C)C2 ZINC000001773378 569052450 /nfs/dbraw/zinc/05/24/50/569052450.db2.gz YUIBVKXLJBEKDA-OAHLLOKOSA-N 0 0 401.528 4.766 50 0 HJAARN C[C@@H]1C[C@@H](C)C[C@H](C)N1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 ZINC000239297306 569054111 /nfs/dbraw/zinc/05/41/11/569054111.db2.gz FAEDTXFSFBXMCZ-LAVBSDLTSA-N 0 0 420.479 5.193 50 0 HJAARN CCCCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(F)cc2)cc1 ZINC000239310286 569054182 /nfs/dbraw/zinc/05/41/82/569054182.db2.gz IHOUFQCFAKWWPJ-RSXGOPAZSA-N 0 0 416.496 6.247 50 0 HJAARN CC[C@H](C)NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1[C@H]1CCCC[C@H]1C ZINC000239378316 569054234 /nfs/dbraw/zinc/05/42/34/569054234.db2.gz OOFAIBVQRYGKQH-GJYPPUQNSA-N 0 0 416.591 4.712 50 0 HJAARN CCCCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(C)cc2)cc1 ZINC000239377855 569054278 /nfs/dbraw/zinc/05/42/78/569054278.db2.gz ODDDBQVTIUEZEP-VPUSJEBWSA-N 0 0 412.533 6.416 50 0 HJAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2OC)cc1 ZINC000239433475 569054396 /nfs/dbraw/zinc/05/43/96/569054396.db2.gz XSYIZUWAJHLRBD-QPPBQGQZSA-N 0 0 420.896 5.600 50 0 HJAARN C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000245254643 569055474 /nfs/dbraw/zinc/05/54/74/569055474.db2.gz BPUGHZMUSVNPKN-BZSNNMDCSA-N 0 0 413.562 4.546 50 0 HJAARN CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1C ZINC000245257910 569055609 /nfs/dbraw/zinc/05/56/09/569055609.db2.gz HMBJEAFCTHHWEY-CSODHUTKSA-N 0 0 410.558 4.890 50 0 HJAARN Clc1ccc(N2CC=c3cc4c(cc3C2)=CCN(c2ccc(Cl)cc2)C4)cc1 ZINC000001897783 569057147 /nfs/dbraw/zinc/05/71/47/569057147.db2.gz VRNIHPJLDYVYNU-UHFFFAOYSA-N 0 0 407.344 4.595 50 0 HJAARN O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccccc1C(F)(F)F ZINC000006461144 569057277 /nfs/dbraw/zinc/05/72/77/569057277.db2.gz DVOISTKFVJUGOT-UHFFFAOYSA-N 0 0 414.383 4.975 50 0 HJAARN C[C@@H](NC(=O)COc1ccccc1C(=O)Nc1ccccc1)c1ccccc1Cl ZINC000006461178 569057294 /nfs/dbraw/zinc/05/72/94/569057294.db2.gz OMNKDFLVHHXWTM-MRXNPFEDSA-N 0 0 408.885 4.849 50 0 HJAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccccc2OC)c(OC)c1 ZINC000247817592 569057463 /nfs/dbraw/zinc/05/74/63/569057463.db2.gz BXEJTVFSQKSIHC-BWKNWUBXSA-N 0 0 416.477 4.955 50 0 HJAARN COc1ccc(Cl)cc1-c1nc(S[C@@H](C)C(=O)Nc2ccc(C)cc2)n[nH]1 ZINC000006463791 569057809 /nfs/dbraw/zinc/05/78/09/569057809.db2.gz NDUJEUIOMSMAKE-LBPRGKRZSA-N 0 0 402.907 4.561 50 0 HJAARN Cc1ccc(CN(Cc2ccccc2)C(=O)CN(C(=O)C2CCCC2)C(C)(C)C)o1 ZINC000035764683 569058056 /nfs/dbraw/zinc/05/80/56/569058056.db2.gz HNHRBCKEOBPKSC-UHFFFAOYSA-N 0 0 410.558 4.934 50 0 HJAARN CCCN(CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1)C(=O)C1CCCCC1 ZINC000035765897 569058062 /nfs/dbraw/zinc/05/80/62/569058062.db2.gz YWWVIAPWASEOFS-UHFFFAOYSA-N 0 0 410.558 4.936 50 0 HJAARN CCc1cccc2c([C@H](CC(=O)N3CCN(CC)CC3)c3cccc(C)c3)c[nH]c21 ZINC000035768609 569058169 /nfs/dbraw/zinc/05/81/69/569058169.db2.gz ARXYFYRXYYTOKM-HSZRJFAPSA-N 0 0 403.570 4.725 50 0 HJAARN CN(C)c1ncccc1C(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 ZINC000089322858 569058500 /nfs/dbraw/zinc/05/85/00/569058500.db2.gz YCFOVMHQYYIMFS-UHFFFAOYSA-N 0 0 403.269 4.894 50 0 HJAARN CCc1c(C)sc(NC(=O)c2ccn(CC)n2)c1C(=O)Nc1ccc(Cl)cc1 ZINC000006489829 569059659 /nfs/dbraw/zinc/05/96/59/569059659.db2.gz TXWKWTZNEIDWSR-UHFFFAOYSA-N 0 0 416.934 4.993 50 0 HJAARN CCOC(=O)c1c(NC(=O)COc2cccc(C)c2C)sc2c1CC[C@@H](C)C2 ZINC000001939966 569059825 /nfs/dbraw/zinc/05/98/25/569059825.db2.gz YQOGLYUKEXAYKC-CYBMUJFWSA-N 0 0 401.528 4.684 50 0 HJAARN CN(C(=O)c1cc2nc(C3CC3)cc(C(F)F)n2n1)C12CC3CC(CC(C3)C1)C2 ZINC000006490368 569059859 /nfs/dbraw/zinc/05/98/59/569059859.db2.gz CYIXPUNAWWWEMH-UHFFFAOYSA-N 0 0 400.473 4.585 50 0 HJAARN COC(=O)c1ccc(COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)o1 ZINC000001150980 569060307 /nfs/dbraw/zinc/06/03/07/569060307.db2.gz SZQDWAPSJNTLLR-UHFFFAOYSA-N 0 0 418.445 4.959 50 0 biogenic HJAARN Cc1nc2ccc(Br)cc2c2c1C[C@@H]([C@@](C)(Cl)Br)O2 ZINC000001211864 569060317 /nfs/dbraw/zinc/06/03/17/569060317.db2.gz CVHUBQBRMHLQCZ-GXTWGEPZSA-N 0 0 405.517 4.959 50 0 biogenic HJAARN CCc1c(C)c2ccc(OCC(=O)c3ccc(Br)cc3)cc2oc1=O ZINC000001124256 569060332 /nfs/dbraw/zinc/06/03/32/569060332.db2.gz JRQYPYOTROKGBG-UHFFFAOYSA-N 0 0 401.256 4.688 50 0 biogenic HJAARN CCCCCC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C1CC1 ZINC000035809335 569060958 /nfs/dbraw/zinc/06/09/58/569060958.db2.gz IARJLYNXOAEVIQ-UHFFFAOYSA-N 0 0 410.558 4.731 50 0 HJAARN O=C(Nc1ccc2c(c1)CCC2)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000006509423 569061963 /nfs/dbraw/zinc/06/19/63/569061963.db2.gz GDRVGTAXMWGCHE-FOCLMDBBSA-N 0 0 418.518 4.840 50 0 HJAARN CCOc1ccccc1-n1nnnc1SCCOc1c(Cl)cccc1Cl ZINC000006510180 569062049 /nfs/dbraw/zinc/06/20/49/569062049.db2.gz BQFNEQXEDIAXGH-UHFFFAOYSA-N 0 0 411.314 4.539 50 0 HJAARN C[C@@H](CNC(=O)CSc1nn(-c2ccccc2)c(=S)s1)c1ccccc1 ZINC000006510763 569062253 /nfs/dbraw/zinc/06/22/53/569062253.db2.gz YDASKOAYCHONJW-AWEZNQCLSA-N 0 0 401.582 4.675 50 0 HJAARN C[C@H](NC(=O)COc1ccc2cc(Br)ccc2c1)c1ccc(F)cc1 ZINC000006510857 569062266 /nfs/dbraw/zinc/06/22/66/569062266.db2.gz OZZDSEBCPXEDKL-ZDUSSCGKSA-N 0 0 402.263 4.998 50 0 HJAARN Cc1ccc2[nH]cc(C(=O)CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)c2c1 ZINC000035843278 569062427 /nfs/dbraw/zinc/06/24/27/569062427.db2.gz MOUCHWNACZWJFO-UHFFFAOYSA-N 0 0 402.325 4.788 50 0 HJAARN Cc1cc(-c2c(-c3ccc4ccccc4c3)[nH]c3c2c(=O)n(C)c(=O)n3C)c(C)s1 ZINC000064450274 569062548 /nfs/dbraw/zinc/06/25/48/569062548.db2.gz XXZNPDCWGNQOTB-UHFFFAOYSA-N 0 0 415.518 4.731 50 0 HJAARN Cc1ccc(Oc2nccnc2N2CCC[C@H](C(=O)Nc3ccc(C)c(F)c3)C2)cc1 ZINC000064452380 569062921 /nfs/dbraw/zinc/06/29/21/569062921.db2.gz YHFYGGJAAKOZGH-SFHVURJKSA-N 0 0 420.488 4.880 50 0 HJAARN COc1ccc(NC(=O)c2c(C)sc3ncnc(N4CCC[C@@H](C)C4)c32)cc1F ZINC000064459733 569062959 /nfs/dbraw/zinc/06/29/59/569062959.db2.gz LYOAFTPOUFSCAV-GFCCVEGCSA-N 0 0 414.506 4.636 50 0 HJAARN COc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)cc2-c2cccnc2)cc1 ZINC000064472866 569063404 /nfs/dbraw/zinc/06/34/04/569063404.db2.gz BOORJKXBGWOJBW-UHFFFAOYSA-N 0 0 404.857 4.849 50 0 HJAARN CCOc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccc(F)cc32)cc1 ZINC000064471698 569063464 /nfs/dbraw/zinc/06/34/64/569063464.db2.gz PXIZYQRHKWCEGZ-UHFFFAOYSA-N 0 0 411.502 4.705 50 0 HJAARN CC[C@@H]1Oc2ccc(NC(=O)C(C)C)cc2CN([C@@H]2CCCc3ccccc32)C1=O ZINC000035874071 569064236 /nfs/dbraw/zinc/06/42/36/569064236.db2.gz ITUJOLLUPAHYIP-YADHBBJMSA-N 0 0 406.526 4.858 50 0 HJAARN C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000006549778 569064887 /nfs/dbraw/zinc/06/48/87/569064887.db2.gz PQPLQQUUAPCSMH-LSDHHAIUSA-N 0 0 410.518 4.642 50 0 HJAARN O=C(Nc1cc(Cl)cc(Cl)c1)N(CCO)Cc1ccccc1Br ZINC000064519226 569065239 /nfs/dbraw/zinc/06/52/39/569065239.db2.gz CVABJUZORZVMIY-UHFFFAOYSA-N 0 0 418.118 4.782 50 0 HJAARN CC[C@@H]1Oc2ccc(NC(=O)CC(C)(C)C)cc2CN(Cc2cccc(OC)c2)C1=O ZINC000035909209 569065678 /nfs/dbraw/zinc/06/56/78/569065678.db2.gz CYUKBBIHOMZMNA-NRFANRHFSA-N 0 0 424.541 4.770 50 0 HJAARN Fc1ccc(-c2nnc(CSc3nnc(C4CC4)n3Cc3ccccc3)o2)cc1 ZINC000006559035 569065851 /nfs/dbraw/zinc/06/58/51/569065851.db2.gz MNKIBJBIYDNGPV-UHFFFAOYSA-N 0 0 407.474 4.685 50 0 HJAARN COc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3cccc(F)c3)cc2)cc1 ZINC000035910924 569065941 /nfs/dbraw/zinc/06/59/41/569065941.db2.gz IFBHSXIJYVXBDS-HSZRJFAPSA-N 0 0 422.481 4.865 50 0 HJAARN Nc1c2c(nn1-c1ccccc1)nc(NCc1ccccc1)nc2-c1ccc(F)cc1 ZINC000035929839 569066710 /nfs/dbraw/zinc/06/67/10/569066710.db2.gz ATQXHACPYBOJAU-UHFFFAOYSA-N 0 0 410.456 4.816 50 0 HJAARN COc1cccc(Oc2cc(-c3ccc(C(=O)NCc4ccccc4)cc3)ncn2)c1 ZINC000064568597 569067637 /nfs/dbraw/zinc/06/76/37/569067637.db2.gz KXJIDSSGUGDNMY-UHFFFAOYSA-N 0 0 411.461 4.875 50 0 biogenic HJAARN CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)c1 ZINC000006596073 569069193 /nfs/dbraw/zinc/06/91/93/569069193.db2.gz GMTAVZRWGGDTOB-QFIPXVFZSA-N 0 0 415.445 4.839 50 0 HJAARN CCOc1ccc(C(C)=O)cc1COc1ncnc2ccc(Br)cc21 ZINC000006599804 569069243 /nfs/dbraw/zinc/06/92/43/569069243.db2.gz WOCZSMUGQFLHSB-UHFFFAOYSA-N 0 0 401.260 4.573 50 0 HJAARN CCc1nn(-c2ccccc2)c(N(C)C)c1CN(CC(C)C)C(=O)c1ccccc1F ZINC000035973337 569069435 /nfs/dbraw/zinc/06/94/35/569069435.db2.gz RIDIYLTZZBFQEM-UHFFFAOYSA-N 0 0 422.548 4.938 50 0 HJAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C(=O)NCC ZINC000035978716 569069766 /nfs/dbraw/zinc/06/97/66/569069766.db2.gz IPOKDKNENDAHGP-UHFFFAOYSA-N 0 0 410.493 4.960 50 0 HJAARN Cc1noc(C)c1CN1CCc2c(C(=O)N[C@@H](C)C3CCCCC3)csc2C1 ZINC000426405131 569072713 /nfs/dbraw/zinc/07/27/13/569072713.db2.gz LMMYPJORLYSXSI-AWEZNQCLSA-N 0 0 401.576 4.610 50 0 HJAARN O=C(c1onc2c1CCCC2)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1F ZINC000426589738 569073514 /nfs/dbraw/zinc/07/35/14/569073514.db2.gz HPQISZCROPVOLL-HSZRJFAPSA-N 0 0 415.468 4.962 50 0 HJAARN O=C(CSc1cn(Cc2ccccc2)c2ccccc12)NCc1cncn1C1CC1 ZINC000426716836 569073988 /nfs/dbraw/zinc/07/39/88/569073988.db2.gz HTPJWDJOQIFSTM-UHFFFAOYSA-N 0 0 416.550 4.630 50 0 HJAARN COc1ccc(C(=O)N(Cc2cc(-c3ccc(OC)cc3OC)on2)CC(C)C)cc1 ZINC000036012228 569075787 /nfs/dbraw/zinc/07/57/87/569075787.db2.gz PMLAENRJIBOZOV-UHFFFAOYSA-N 0 0 424.497 4.666 50 0 HJAARN COC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(C(=O)c2ccc(C)cc2)C2CCCCC2)c1C ZINC000036005060 569075879 /nfs/dbraw/zinc/07/58/79/569075879.db2.gz KGRXWRIDPOWWFR-SFHVURJKSA-N 0 0 424.541 4.773 50 0 HJAARN COc1cccc(C(=O)N(Cc2cc(-c3ccco3)on2)Cc2ccc(F)cc2)c1 ZINC000036016371 569076682 /nfs/dbraw/zinc/07/66/82/569076682.db2.gz JSKWGNVVHYUMBK-UHFFFAOYSA-N 0 0 406.413 4.925 50 0 HJAARN O=C1C[C@H](c2cccc(Cl)c2)c2scc(S(=O)(=O)c3ccccc3)c2N1 ZINC000064656633 569076777 /nfs/dbraw/zinc/07/67/77/569076777.db2.gz LPULYMOIOZWAFU-OAHLLOKOSA-N 0 0 403.912 4.708 50 0 HJAARN Cc1cccc(S(=O)(=O)c2csc3c2NC(=O)C[C@@H]3c2cccc(F)c2)c1 ZINC000064657050 569077074 /nfs/dbraw/zinc/07/70/74/569077074.db2.gz OEPBNVSZJDWJRP-MRXNPFEDSA-N 0 0 401.484 4.503 50 0 HJAARN Cc1cccc(S(=O)(=O)c2csc3c2NC(=O)C[C@H]3c2cccc(F)c2)c1 ZINC000064657053 569077086 /nfs/dbraw/zinc/07/70/86/569077086.db2.gz OEPBNVSZJDWJRP-INIZCTEOSA-N 0 0 401.484 4.503 50 0 HJAARN Cc1ccc(-c2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)NC(C)C)no2)c(C)c1 ZINC000036012772 569077405 /nfs/dbraw/zinc/07/74/05/569077405.db2.gz UVEOXUMSRJNEER-UHFFFAOYSA-N 0 0 421.497 4.807 50 0 HJAARN CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)N(C)c1ccc(C)cc1 ZINC000064670205 569079026 /nfs/dbraw/zinc/07/90/26/569079026.db2.gz VWSMENWVQSWYFE-UHFFFAOYSA-N 0 0 402.541 4.651 50 0 HJAARN O=C(C[C@H]1COc2ccccc2N1Cc1ccc(F)cc1)NCc1ccccc1Cl ZINC000064663857 569079725 /nfs/dbraw/zinc/07/97/25/569079725.db2.gz RYCYTOJPIALLBO-FQEVSTJZSA-N 0 0 424.903 4.953 50 0 HJAARN O=C(OCc1c(F)cccc1Cl)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000006647872 569080738 /nfs/dbraw/zinc/08/07/38/569080738.db2.gz UAHWDUORMHUORE-UHFFFAOYSA-N 0 0 408.816 4.535 50 0 HJAARN O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006653725 569082661 /nfs/dbraw/zinc/08/26/61/569082661.db2.gz MAGKWJVOZGNUKW-UHFFFAOYSA-N 0 0 413.521 4.572 50 0 HJAARN COc1ccc(C2=NN(C(=O)CNc3cc(F)ccc3C)[C@@H](c3ccco3)C2)cc1 ZINC000007972799 569083190 /nfs/dbraw/zinc/08/31/90/569083190.db2.gz CBHJZEAMBFVLOE-OAQYLSRUSA-N 0 0 407.445 4.526 50 0 HJAARN COc1ccc(OCCCn2c3ccccc3nc2[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000006658512 569083416 /nfs/dbraw/zinc/08/34/16/569083416.db2.gz RJMGDGFYEIJIQA-GOSISDBHSA-N 0 0 421.541 4.628 50 0 HJAARN CCNC(=O)c1coc(CN(Cc2ccccc2)Cc2cccc(Cl)c2Cl)n1 ZINC000036082938 569087387 /nfs/dbraw/zinc/08/73/87/569087387.db2.gz CRVKBWSRGWQTKG-UHFFFAOYSA-N 0 0 418.324 4.934 50 0 HJAARN CCN(c1ccccc1)S(=O)(=O)c1cccc(-c2nc(-c3ccccc3)no2)c1 ZINC000064747767 569089013 /nfs/dbraw/zinc/08/90/13/569089013.db2.gz IGVBRESXXSFEKG-UHFFFAOYSA-N 0 0 405.479 4.619 50 0 HJAARN CC(C)(C)NC(=O)N(Cc1nccn1Cc1ccc(Cl)c(Cl)c1)CC1CC1 ZINC000006690515 569089529 /nfs/dbraw/zinc/08/95/29/569089529.db2.gz BLKOTDKVQGXFQA-UHFFFAOYSA-N 0 0 409.361 4.958 50 0 HJAARN COc1c2cc(F)ccc2sc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000064756428 569089920 /nfs/dbraw/zinc/08/99/20/569089920.db2.gz WQIJXGWDWMNFGY-UHFFFAOYSA-N 0 0 404.894 4.665 50 0 HJAARN CCn1cc(-c2nc(C(=O)NCc3ccc(F)c(Cl)c3)cs2)c2cccnc21 ZINC000064759547 569091034 /nfs/dbraw/zinc/09/10/34/569091034.db2.gz KWIYPAYTTWGJFP-UHFFFAOYSA-N 0 0 414.893 4.902 50 0 HJAARN CC(C)(C)NC(=O)N(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000006694836 569091420 /nfs/dbraw/zinc/09/14/20/569091420.db2.gz YTDYWHICGZWPDD-LJQANCHMSA-N 0 0 417.912 4.982 50 0 HJAARN CC[C@H](C)N(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)C(=O)C(C)C ZINC000006695038 569091503 /nfs/dbraw/zinc/09/15/03/569091503.db2.gz CGGFKGYIIVJLNX-KRWDZBQOSA-N 0 0 413.537 4.927 50 0 HJAARN CC(C)(C)c1cc(N2CCCC2)nc(SCc2cccc(C(=O)N3CCCC3)c2)n1 ZINC000006695697 569091568 /nfs/dbraw/zinc/09/15/68/569091568.db2.gz CLFWARXPHYQUOS-UHFFFAOYSA-N 0 0 424.614 4.903 50 0 HJAARN CC(C)(C)c1cc(N2CCCC2)nc(SCc2cccc(C(=O)NC3CC3)c2)n1 ZINC000006695822 569091725 /nfs/dbraw/zinc/09/17/25/569091725.db2.gz MKOOCRWVBVZRAR-UHFFFAOYSA-N 0 0 410.587 4.559 50 0 HJAARN COc1ccc(C(=O)N(Cc2csc(COc3ccccc3OC)n2)C2CC2)cc1 ZINC000036105810 569092834 /nfs/dbraw/zinc/09/28/34/569092834.db2.gz TXXGCCRHBJRXTF-UHFFFAOYSA-N 0 0 424.522 4.544 50 0 HJAARN COCCCN(Cc1csc(COc2cccc(C)c2)n1)C(=O)c1ccccc1 ZINC000036106542 569093162 /nfs/dbraw/zinc/09/31/62/569093162.db2.gz GWNAEOXXVFDRKV-UHFFFAOYSA-N 0 0 410.539 4.709 50 0 HJAARN Cc1ccc(OCc2nc(CN(C(=O)c3ccc4c(c3)OCO4)C3CC3)cs2)cc1 ZINC000036114726 569094019 /nfs/dbraw/zinc/09/40/19/569094019.db2.gz LRVBKBAIYTXBSJ-UHFFFAOYSA-N 0 0 422.506 4.564 50 0 HJAARN O=C(NCCC1=CCCCC1)c1cnc2scc(-c3ccccc3Cl)n2c1=O ZINC000064787977 569094323 /nfs/dbraw/zinc/09/43/23/569094323.db2.gz 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CCC(CC)C(=O)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)[C@@H](C)C(C)C ZINC000006711566 569096771 /nfs/dbraw/zinc/09/67/71/569096771.db2.gz IZEOHVFGUAQZBN-KRWDZBQOSA-N 0 0 401.595 4.910 50 0 HJAARN Cc1cc(Nc2ccc(NC(=O)Nc3cccc(F)c3)cc2)nc(N2CCCC2)n1 ZINC000064801475 569097208 /nfs/dbraw/zinc/09/72/08/569097208.db2.gz LOZGFCIGYSZYGD-UHFFFAOYSA-N 0 0 406.465 4.912 50 0 HJAARN CCOc1ccc(C(=O)Nc2ccc(Nc3cc(C)nc(N4CCCC4)n3)cc2)cc1 ZINC000064800831 569097533 /nfs/dbraw/zinc/09/75/33/569097533.db2.gz DOWMDJDTGUSONC-UHFFFAOYSA-N 0 0 417.513 4.780 50 0 HJAARN Cc1c2cc3c(cc2oc(=O)c1CCC(=O)Nc1ccccn1)oc1c3CCCC1 ZINC000006719186 569097787 /nfs/dbraw/zinc/09/77/87/569097787.db2.gz FKHCPSSYZBRQTE-UHFFFAOYSA-N 0 0 402.450 4.693 50 0 HJAARN CC(C)C(=O)N(Cc1cc(NC(=O)C2CC2)ccc1N(C)C)[C@H](C)c1ccccc1 ZINC000006722298 569099557 /nfs/dbraw/zinc/09/95/57/569099557.db2.gz XKDPRKWHJHVMER-GOSISDBHSA-N 0 0 407.558 4.847 50 0 HJAARN CCCN(Cc1cc(NC(=O)c2ccccc2Cl)ccc1N(C)C)C(=O)C1CC1 ZINC000006722779 569099816 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CCc1ccc(OCc2nc(CCN(C)C(=O)Nc3cccc(C)c3C)no2)cc1 ZINC000064840458 569105582 /nfs/dbraw/zinc/10/55/82/569105582.db2.gz MSQWUIMDLGLTIW-UHFFFAOYSA-N 0 0 408.502 4.534 50 0 HJAARN COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2ccccc2)c1 ZINC000006739239 569105882 /nfs/dbraw/zinc/10/58/82/569105882.db2.gz DNXUGCVRHXMNSA-UHFFFAOYSA-N 0 0 400.434 4.875 50 0 HJAARN Cc1ccc2c(c1C)-n1cccc1C1(CCN(S(=O)(=O)c3ccccc3C)CC1)N2 ZINC000064848153 569107439 /nfs/dbraw/zinc/10/74/39/569107439.db2.gz ZKKJWMAJHHWLSH-UHFFFAOYSA-N 0 0 421.566 4.508 50 0 biogenic HJAARN CC[C@H](C(=O)N1CCC2(CC1)Nc1cc(OC)ccc1-n1cccc12)c1ccccc1 ZINC000064848261 569107444 /nfs/dbraw/zinc/10/74/44/569107444.db2.gz FLPNCJQJRMFPNS-NRFANRHFSA-N 0 0 415.537 4.923 50 0 biogenic HJAARN O=C(Nc1ccc(C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1)c1ccco1 ZINC000064844796 569107883 /nfs/dbraw/zinc/10/78/83/569107883.db2.gz TVYXTTRVSUSDMK-UHFFFAOYSA-N 0 0 414.421 4.712 50 0 HJAARN Cc1c2cc(Br)ccc2oc1C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000006746158 569108317 /nfs/dbraw/zinc/10/83/17/569108317.db2.gz GAVXDGMLAJKKHD-MRXNPFEDSA-N 0 0 417.303 4.664 50 0 HJAARN COc1ccc(S(=O)(=O)Nc2cc(-c3cn4ccc(C)cc4n3)ccc2C)cc1C ZINC000006748119 569108486 /nfs/dbraw/zinc/10/84/86/569108486.db2.gz YFRNGISNOSYFPN-UHFFFAOYSA-N 0 0 421.522 4.736 50 0 HJAARN COc1ccc(OC)c(NC(=O)c2nc(-c3ccc(C)cc3)n3c2CCCCC3)c1 ZINC000006749245 569109005 /nfs/dbraw/zinc/10/90/05/569109005.db2.gz AXNKXPQDGODART-UHFFFAOYSA-N 0 0 405.498 4.854 50 0 HJAARN CCCOc1ccc(CNC(=O)Cn2c(C)c(C(C)=O)cc2-c2ccccc2)cc1 ZINC000006750134 569109061 /nfs/dbraw/zinc/10/90/61/569109061.db2.gz FFAMQKLTDSMEIE-UHFFFAOYSA-N 0 0 404.510 4.771 50 0 HJAARN Cc1c(NC(=O)Nc2ccc(F)cc2F)sc2nc3n(c(=O)c12)CC[C@@H](C)CC3 ZINC000006750166 569109230 /nfs/dbraw/zinc/10/92/30/569109230.db2.gz ZAJDHGAPOJBERW-JTQLQIEISA-N 0 0 418.469 4.661 50 0 HJAARN Cn1c2cc(C(=O)NCCc3ccccc3)ccc2nc1SCc1ccc(F)cc1 ZINC000006750996 569110020 /nfs/dbraw/zinc/11/00/20/569110020.db2.gz YIINPXUJPBLHRP-UHFFFAOYSA-N 0 0 419.525 4.977 50 0 HJAARN CCc1ccc(CNC(=O)[C@H](CC)n2nc(C)c3sc4ccccc4c3c2=O)cc1 ZINC000006751527 569110095 /nfs/dbraw/zinc/11/00/95/569110095.db2.gz RNPALHQORRIADV-IBGZPJMESA-N 0 0 419.550 4.750 50 0 HJAARN CCc1ccc(CNC(=O)[C@@H](CC)n2nc(C)c3sc4ccccc4c3c2=O)cc1 ZINC000006751526 569110101 /nfs/dbraw/zinc/11/01/01/569110101.db2.gz RNPALHQORRIADV-LJQANCHMSA-N 0 0 419.550 4.750 50 0 HJAARN CCc1ccc(OCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)cc1 ZINC000006752569 569110358 /nfs/dbraw/zinc/11/03/58/569110358.db2.gz HCBOYSPMGRQNHW-UHFFFAOYSA-N 0 0 419.569 4.917 50 0 HJAARN CCN(C(=O)CSC1=Nc2ccccc2NC(CC(=O)OC)=C1)c1cccc(C)c1 ZINC000064869550 569112270 /nfs/dbraw/zinc/11/22/70/569112270.db2.gz GTBVTGXNKQRXEI-UHFFFAOYSA-N 0 0 423.538 4.684 50 0 HJAARN COc1ccc(NC(=O)C2CCN(c3cc(-c4ccccc4)ncn3)CC2)cc1Cl ZINC000064872564 569113669 /nfs/dbraw/zinc/11/36/69/569113669.db2.gz ONMAGGXEZNULBS-UHFFFAOYSA-N 0 0 422.916 4.661 50 0 HJAARN CC[C@@H](C)N(Cc1ccccc1OS(=O)(=O)c1ccc(F)cc1)C(=O)C1CCC1 ZINC000006766581 569114794 /nfs/dbraw/zinc/11/47/94/569114794.db2.gz HXFAMNUWYPSJRB-MRXNPFEDSA-N 0 0 419.518 4.521 50 0 HJAARN Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4ccc(C)cc4C)ccc32)cc1 ZINC000006767048 569114997 /nfs/dbraw/zinc/11/49/97/569114997.db2.gz FURQCKDZTNVECG-UHFFFAOYSA-N 0 0 420.534 4.616 50 0 HJAARN CCCn1c2ccc(-c3noc(COc4ccc(Cl)cc4C)n3)cc2nc(C)c1=O ZINC000064890455 569116292 /nfs/dbraw/zinc/11/62/92/569116292.db2.gz SJSJEDYFRKXWCS-UHFFFAOYSA-N 0 0 424.888 4.706 50 0 HJAARN COc1cc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc(OC)c1 ZINC000036246333 569116485 /nfs/dbraw/zinc/11/64/85/569116485.db2.gz AGCMMXHDWKIYJZ-UHFFFAOYSA-N 0 0 415.486 4.547 50 0 HJAARN COc1ccc(CN(c2ccc(C)c(F)c2)S(=O)(=O)c2ccccc2)cc1OC ZINC000036246480 569116667 /nfs/dbraw/zinc/11/66/67/569116667.db2.gz ZBHPAPLBHQUEFW-UHFFFAOYSA-N 0 0 415.486 4.547 50 0 HJAARN COc1ccccc1CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1F ZINC000036247565 569116993 /nfs/dbraw/zinc/11/69/93/569116993.db2.gz IUZSGQMXKRLZGI-UHFFFAOYSA-N 0 0 405.878 4.883 50 0 HJAARN Cc1cccc(CN(c2ccc3c(c2)OCO3)S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000036248880 569117977 /nfs/dbraw/zinc/11/79/77/569117977.db2.gz BUMJKZXZMDVLPQ-UHFFFAOYSA-N 0 0 413.470 4.567 50 0 HJAARN COc1ccccc1CNC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1Cl ZINC000006772780 569118071 /nfs/dbraw/zinc/11/80/71/569118071.db2.gz XMOZHMUEOBPNNS-UHFFFAOYSA-N 0 0 420.900 4.629 50 0 HJAARN Cc1c2c(n(Cc3cccc(C)c3)c1C(=O)NCc1ccc3c(c1)OCO3)CCCC2 ZINC000006775176 569118851 /nfs/dbraw/zinc/11/88/51/569118851.db2.gz QBWIJTOYTHZBKJ-UHFFFAOYSA-N 0 0 416.521 4.691 50 0 HJAARN COc1nc(-c2ccc(C)cc2)n(-c2cccc(NC(=O)c3ccc(F)cc3)c2)n1 ZINC000006776206 569119037 /nfs/dbraw/zinc/11/90/37/569119037.db2.gz HDSZMMVUYVACGC-UHFFFAOYSA-N 0 0 402.429 4.643 50 0 HJAARN CCOc1nc(-c2cccs2)n(-c2cccc(NC(=O)c3cccc(F)c3)c2)n1 ZINC000006776202 569119082 /nfs/dbraw/zinc/11/90/82/569119082.db2.gz MZBDNJCPSHAYDL-UHFFFAOYSA-N 0 0 408.458 4.786 50 0 HJAARN COc1cc(Nc2nc3ccc(Cl)cc3nc2-n2nc(C)cc2C)cc(OC)c1 ZINC000006786346 569121380 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O=C(CC1CCCCC1)N[C@H]1CCCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)C1 ZINC000169770254 569167523 /nfs/dbraw/zinc/16/75/23/569167523.db2.gz ASRRXVCOJUPFCM-IBGZPJMESA-N 0 0 400.954 4.786 50 0 HJAARN COc1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cc1NC(=O)c1cccc(F)c1 ZINC000036394936 569168612 /nfs/dbraw/zinc/16/86/12/569168612.db2.gz FYJCRISFGGXRFW-UHFFFAOYSA-N 0 0 422.431 4.896 50 0 HJAARN Cc1ccccc1CNC(=O)[C@]1(C)Cc2ccccc2C(=O)N1c1ccc(Cl)cc1 ZINC000065075036 569169310 /nfs/dbraw/zinc/16/93/10/569169310.db2.gz UIUSNKYGAYIWFB-VWLOTQADSA-N 0 0 418.924 4.926 50 0 HJAARN Cc1cc(C)cc(-n2c(SCC(=O)NC3CCCCC3)nc3ccccc3c2=O)c1 ZINC000006886777 569170383 /nfs/dbraw/zinc/17/03/83/569170383.db2.gz SAAIBTZPVDSGOY-UHFFFAOYSA-N 0 0 421.566 4.544 50 0 HJAARN COc1ccc(-c2cn3c(CC(=O)Nc4cccc(C)c4C)csc3n2)cc1OC ZINC000065079442 569171044 /nfs/dbraw/zinc/17/10/44/569171044.db2.gz SICCUECHPMUXJH-UHFFFAOYSA-N 0 0 421.522 4.878 50 0 HJAARN COc1ccc(-c2cn3c(CC(=O)N[C@H]4CCCc5ccccc54)csc3n2)cc1 ZINC000065079307 569171074 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Cc1c(C(=O)NCc2cccnc2)oc2ccc3c(c12)[C@@H](O)CC1(CCCCC1)O3 ZINC000006901042 569177768 /nfs/dbraw/zinc/17/77/68/569177768.db2.gz MPEJQAUQLOZYNR-KRWDZBQOSA-N 0 0 406.482 4.585 50 0 biogenic HJAARN Cc1nnc2c(NCc3ccc(C)cc3)nc3ccc(C(=O)c4ccccc4)cc3n12 ZINC000006901715 569177915 /nfs/dbraw/zinc/17/79/15/569177915.db2.gz PTTRWXDFQJZKHA-UHFFFAOYSA-N 0 0 407.477 4.737 50 0 HJAARN CC(=O)Nc1ccc(-c2csc(NC(=O)CCc3c[nH]c4ccccc34)n2)cc1 ZINC000006905586 569178196 /nfs/dbraw/zinc/17/81/96/569178196.db2.gz UUYGTRBWJGNYII-UHFFFAOYSA-N 0 0 404.495 4.821 50 0 HJAARN Cc1ccc(Sc2nccnc2N2CCC(C(=O)Nc3ccccc3F)CC2)cc1 ZINC000065102443 569178514 /nfs/dbraw/zinc/17/85/14/569178514.db2.gz DGHKIUBZALAYFC-UHFFFAOYSA-N 0 0 422.529 4.930 50 0 HJAARN COc1ccc([C@H](C)NC(=O)CSc2nccnc2Oc2ccccc2C)cc1 ZINC000065111205 569178795 /nfs/dbraw/zinc/17/87/95/569178795.db2.gz OEYMLYWJPKQMSD-INIZCTEOSA-N 0 0 409.511 4.555 50 0 HJAARN O=C(CSc1nccnc1Oc1ccccc1)NCc1cccc(C(F)(F)F)c1 ZINC000065111094 569178841 /nfs/dbraw/zinc/17/88/41/569178841.db2.gz UYELYNUPOYIYMQ-UHFFFAOYSA-N 0 0 419.428 4.696 50 0 HJAARN Cc1ccc2c(ncc(C(=O)N3CCCC3)c2Nc2cccc(C(F)(F)F)c2)n1 ZINC000065114349 569179022 /nfs/dbraw/zinc/17/90/22/569179022.db2.gz BTJUBHVALAIXAS-UHFFFAOYSA-N 0 0 400.404 4.937 50 0 HJAARN CCc1ccccc1-n1nnc(-c2nsc(NC(=O)c3ccc(C)c(C)c3)n2)c1C ZINC000006914620 569180075 /nfs/dbraw/zinc/18/00/75/569180075.db2.gz PBMIKDJLYUSVRL-UHFFFAOYSA-N 0 0 418.526 4.526 50 0 HJAARN Cc1cccc(NC(=O)Cn2cc(-c3ccccc3)c3ncn(C(C)C)c(=O)c32)c1C ZINC000065113605 569180842 /nfs/dbraw/zinc/18/08/42/569180842.db2.gz XGXBFBFPEDTTTP-UHFFFAOYSA-N 0 0 414.509 4.701 50 0 HJAARN CC(C)S(=O)(=O)c1nc2ccc(NC(=O)Nc3ccccc3Cl)cc2s1 ZINC000065119247 569180935 /nfs/dbraw/zinc/18/09/35/569180935.db2.gz QNFSRKOPWAHPEI-UHFFFAOYSA-N 0 0 409.920 4.776 50 0 HJAARN CSc1cccc(NC(=O)Nc2ccc3nc(S(=O)(=O)C(C)C)sc3c2)c1 ZINC000065119251 569181022 /nfs/dbraw/zinc/18/10/22/569181022.db2.gz ZTNZCKMNFSQYIZ-UHFFFAOYSA-N 0 0 421.569 4.844 50 0 HJAARN CC1CCC(N2C(=O)CN(C3CCCCC3)C(=O)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000006921172 569182474 /nfs/dbraw/zinc/18/24/74/569182474.db2.gz KBLIWRKRIDOYMS-HTRPQEOZSA-N 0 0 402.966 4.963 50 0 HJAARN C[C@@H]1C[C@@H](C)CN(c2cc(SCC(=O)Nc3ccccc3C(F)(F)F)ncn2)C1 ZINC000065133341 569183023 /nfs/dbraw/zinc/18/30/23/569183023.db2.gz SNLHZUOEALGDCN-ZIAGYGMSSA-N 0 0 424.492 4.709 50 0 HJAARN Cc1ccc(NC(=O)N2CCC[C@@H](CCC(=O)NCc3cc(F)cc(F)c3)C2)cc1 ZINC000065136234 569183353 /nfs/dbraw/zinc/18/33/53/569183353.db2.gz LHAQBZVJHASNKO-KRWDZBQOSA-N 0 0 415.484 4.614 50 0 HJAARN O=C(CC[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1)NCCC1=CCCCC1 ZINC000065136363 569183417 /nfs/dbraw/zinc/18/34/17/569183417.db2.gz ZRIRRFVTKMIZAG-IBGZPJMESA-N 0 0 401.526 4.857 50 0 HJAARN COCCn1cc2c3c1cccc3CN(C(=O)c1cccc(C(F)(F)F)c1)CC2 ZINC000065148754 569184499 /nfs/dbraw/zinc/18/44/99/569184499.db2.gz WWUOQOFYAXZARO-UHFFFAOYSA-N 0 0 402.416 4.505 50 0 HJAARN CC[C@H](C)Cc1c(C)sc2[nH]c(CSc3nnc(C4CC4)n3CC)nc(=O)c12 ZINC000006934822 569184974 /nfs/dbraw/zinc/18/49/74/569184974.db2.gz GINGKHQUDLTQEI-NSHDSACASA-N 0 0 417.604 4.663 50 0 HJAARN CC[C@@H](C)Cc1c(C)sc2[nH]c(CSc3nnc(C4CC4)n3CC)nc(=O)c12 ZINC000006934818 569184989 /nfs/dbraw/zinc/18/49/89/569184989.db2.gz GINGKHQUDLTQEI-LLVKDONJSA-N 0 0 417.604 4.663 50 0 HJAARN CC(=O)c1ccc(NC(=O)c2cnc(-c3ccc(C)cc3)nc2-c2ccncc2)cc1 ZINC000065153820 569187650 /nfs/dbraw/zinc/18/76/50/569187650.db2.gz IQAIQOJNEZEGKX-UHFFFAOYSA-N 0 0 408.461 4.969 50 0 HJAARN O=C(c1ccccc1C(F)(F)F)N1CCc2nc(-c3ccc(F)cc3)ncc2C1 ZINC000065168661 569188983 /nfs/dbraw/zinc/18/89/83/569188983.db2.gz WWDCTWQKDRYDCA-UHFFFAOYSA-N 0 0 401.363 4.500 50 0 HJAARN Cc1ccc(C(=O)N2CCC[C@@H](COc3ccc(C(=O)N4CCCCC4)cc3)C2)cc1 ZINC000065178589 569191782 /nfs/dbraw/zinc/19/17/82/569191782.db2.gz HFZZWPQYBFQATG-OAQYLSRUSA-N 0 0 420.553 4.552 50 0 HJAARN Cc1nc(S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)n(C2CCCCC2)c1C ZINC000006973360 569192010 /nfs/dbraw/zinc/19/20/10/569192010.db2.gz IBYGIYVCPWKRMQ-INIZCTEOSA-N 0 0 415.559 4.531 50 0 HJAARN O=C(CSc1ccc(-c2nc(C3CC3)no2)cn1)Nc1ccc(F)cc1Cl ZINC000065185778 569192015 /nfs/dbraw/zinc/19/20/15/569192015.db2.gz WLBIHASKZASRHH-UHFFFAOYSA-N 0 0 404.854 4.532 50 0 HJAARN Cc1cc(-c2nnc(-c3ccccc3)o2)c(C)n1CC(=O)Nc1ccc(F)cc1C ZINC000065194882 569192892 /nfs/dbraw/zinc/19/28/92/569192892.db2.gz ZEUVMOUXAVBXSL-UHFFFAOYSA-N 0 0 404.445 4.908 50 0 HJAARN Cc1cc(-c2nnc(-c3ccccc3)o2)c(C)n1CC(=O)NCc1ccccc1Cl ZINC000065194886 569192901 /nfs/dbraw/zinc/19/29/01/569192901.db2.gz FWNPWAKUAMEHEZ-UHFFFAOYSA-N 0 0 420.900 4.792 50 0 HJAARN Cc1cc(-c2nnc(-c3ccccc3)o2)c(C)n1CC(=O)N[C@@H](C)c1ccccc1 ZINC000065194877 569192909 /nfs/dbraw/zinc/19/29/09/569192909.db2.gz CBOWWMBJVXODRL-KRWDZBQOSA-N 0 0 400.482 4.699 50 0 HJAARN C[C@H](NC(=O)c1cc2c(s1)CCN(C(=O)c1ccccc1)C2)c1ccc(F)cc1 ZINC000065201271 569195572 /nfs/dbraw/zinc/19/55/72/569195572.db2.gz DFJXBLTWUPIQTO-HNNXBMFYSA-N 0 0 408.498 4.577 50 0 HJAARN COc1ccc(NC(=O)c2cccc3c2CCN3C(=O)Nc2ccc(F)cc2)cc1 ZINC000065210158 569196097 /nfs/dbraw/zinc/19/60/97/569196097.db2.gz YVNMOTVEXYOOPE-UHFFFAOYSA-N 0 0 405.429 4.681 50 0 HJAARN CC(=O)c1cccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2cccc(F)c2)c1 ZINC000007003559 569198337 /nfs/dbraw/zinc/19/83/37/569198337.db2.gz LDQRTWMOPQVCCU-UHFFFAOYSA-N 0 0 402.429 4.631 50 0 HJAARN COc1ccc2cc(CN(C)C(=O)CSc3ccc4c(c3)OCCCO4)ccc2c1 ZINC000007021708 569204138 /nfs/dbraw/zinc/20/41/38/569204138.db2.gz YWXBKPYBFFISSE-UHFFFAOYSA-N 0 0 423.534 4.760 50 0 HJAARN COc1ccc(C)cc1NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccc(F)cc1 ZINC000036615983 569207148 /nfs/dbraw/zinc/20/71/48/569207148.db2.gz VNVHUHUZGLYRFI-UHFFFAOYSA-N 0 0 404.445 4.746 50 0 HJAARN O=C(NCc1ccccc1N1CCCC1)c1cc(C2CC2)nc2onc(C3CC3)c21 ZINC000036617333 569208153 /nfs/dbraw/zinc/20/81/53/569208153.db2.gz UYAKSVXQRLGCNO-UHFFFAOYSA-N 0 0 402.498 4.508 50 0 HJAARN COc1ccc([C@@H](C)NC(=O)c2cc(C)nc3onc(-c4ccc(F)cc4)c32)cc1 ZINC000036613385 569209157 /nfs/dbraw/zinc/20/91/57/569209157.db2.gz CMSBDDXUMXVMGF-CQSZACIVSA-N 0 0 405.429 4.837 50 0 HJAARN O=C(NCCc1ccccn1)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 ZINC000036618306 569209878 /nfs/dbraw/zinc/20/98/78/569209878.db2.gz GOCRQJGZEVXHIE-UHFFFAOYSA-N 0 0 402.885 4.560 50 0 HJAARN CN1c2ccc(NC(=O)Cc3ccccc3Cl)cc2Sc2ncccc2C1=O ZINC000065258396 569210229 /nfs/dbraw/zinc/21/02/29/569210229.db2.gz ZAWVSBMYVJVDJY-UHFFFAOYSA-N 0 0 409.898 4.657 50 0 HJAARN CCN1c2ccc(NC(=O)c3ccc(F)cc3F)cc2Sc2ncccc2C1=O ZINC000065258484 569210317 /nfs/dbraw/zinc/21/03/17/569210317.db2.gz HBRDGCHJFMRCDG-UHFFFAOYSA-N 0 0 411.433 4.743 50 0 HJAARN Cc1ccc([C@H](C)NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ncnn32)c(C)c1 ZINC000036619293 569210657 /nfs/dbraw/zinc/21/06/57/569210657.db2.gz AYFFBBUYRSZXLF-HNNXBMFYSA-N 0 0 405.889 4.553 50 0 HJAARN Fc1ccc(-c2noc(CSc3nnc(-c4ccccc4F)n3C3CC3)n2)cc1 ZINC000007047577 569211295 /nfs/dbraw/zinc/21/12/95/569211295.db2.gz UMJAUYJMGSBVTK-UHFFFAOYSA-N 0 0 411.437 4.901 50 0 HJAARN CCc1cc(C(=O)Nc2cccc(OC)c2)c2c(C)nn(Cc3ccccc3)c2n1 ZINC000036621714 569212323 /nfs/dbraw/zinc/21/23/23/569212323.db2.gz KCKGTDHRWZOUTN-UHFFFAOYSA-N 0 0 400.482 4.611 50 0 HJAARN COc1ccc2[nH]c3c(c2c1)CN(C(=O)C[C@H](c1ccsc1)n1cccc1)CC3 ZINC000524731692 569212528 /nfs/dbraw/zinc/21/25/28/569212528.db2.gz HOTCFGVPCBIQBZ-JOCHJYFZSA-N 0 0 405.523 4.604 50 0 biogenic HJAARN CSc1nnc(CCCNC(=O)c2cc3c(s2)CCCCC3)n1C1CCCC1 ZINC000007071918 569216906 /nfs/dbraw/zinc/21/69/06/569216906.db2.gz HZWMUSPSRSPKHA-UHFFFAOYSA-N 0 0 418.632 4.808 50 0 HJAARN CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 ZINC000007062542 569217034 /nfs/dbraw/zinc/21/70/34/569217034.db2.gz LKENFOIURGZWGI-MRXNPFEDSA-N 0 0 410.688 4.913 50 0 HJAARN CN(C)C(=O)[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccccc1 ZINC000007084933 569217460 /nfs/dbraw/zinc/21/74/60/569217460.db2.gz OPDQGIWFVLOUJP-FQEVSTJZSA-N 0 0 418.522 4.508 50 0 HJAARN O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000007073319 569217748 /nfs/dbraw/zinc/21/77/48/569217748.db2.gz GMUMKMRWCSIXMA-VQHVLOKHSA-N 0 0 403.309 4.884 50 0 HJAARN Cc1nn(-c2cccc(C)c2)c2nc(N(C)CC(=O)Nc3ccc(F)cc3C)sc12 ZINC000065294132 569218666 /nfs/dbraw/zinc/21/86/66/569218666.db2.gz HQVIXIQAUHXETD-UHFFFAOYSA-N 0 0 423.517 4.621 50 0 HJAARN O=C(COC(=O)c1csc(-c2cccc(Cl)c2)n1)NCCC1=CCCCC1 ZINC000007106705 569220251 /nfs/dbraw/zinc/22/02/51/569220251.db2.gz UMKSCZHLKYHFRQ-UHFFFAOYSA-N 0 0 404.919 4.627 50 0 HJAARN COc1ccc(-n2c(N(C)C)nc3cc(C(=O)N[C@@H](C)c4ccccc4)sc32)cc1 ZINC000065306744 569220665 /nfs/dbraw/zinc/22/06/65/569220665.db2.gz REXFQJZAZALZBU-HNNXBMFYSA-N 0 0 420.538 4.653 50 0 HJAARN CCOc1cc2c(cc1[C@H]1Nc3ccccc3C(=O)N1Cc1ccco1)O[C@H](C)C2 ZINC000007112957 569221661 /nfs/dbraw/zinc/22/16/61/569221661.db2.gz HCFKAGUULIOCIM-CMJOXMDJSA-N 0 0 404.466 4.768 50 0 HJAARN COCCCNc1c(-c2ccc(OC)c(OC)c2)nc2sc3cc(C)ccc3n21 ZINC000065319316 569222082 /nfs/dbraw/zinc/22/20/82/569222082.db2.gz MJEZNYAQEDYBFY-UHFFFAOYSA-N 0 0 411.527 4.990 50 0 HJAARN Cc1ccc(-c2noc([C@H]3CCCN3S(=O)(=O)c3ccc(C)c(Cl)c3)n2)cc1 ZINC000065320705 569223792 /nfs/dbraw/zinc/22/37/92/569223792.db2.gz PZOFJLDNMHQNBE-GOSISDBHSA-N 0 0 417.918 4.533 50 0 HJAARN Cc1ccccc1-c1noc([C@@H]2CCCN2S(=O)(=O)c2ccc(C(C)C)cc2)n1 ZINC000065320765 569223825 /nfs/dbraw/zinc/22/38/25/569223825.db2.gz LTECMODMGYVVLX-FQEVSTJZSA-N 0 0 411.527 4.694 50 0 HJAARN Cc1cccc(-c2noc([C@@H]3CCCN3S(=O)(=O)c3cccc(Cl)c3C)n2)c1 ZINC000065320821 569224004 /nfs/dbraw/zinc/22/40/04/569224004.db2.gz HSVSFGSYEGYODS-KRWDZBQOSA-N 0 0 417.918 4.533 50 0 HJAARN C[C@@H]1CCc2sc(-c3nnc(SCc4nnc(-c5ccco5)o4)o3)cc2C1 ZINC000007129249 569224387 /nfs/dbraw/zinc/22/43/87/569224387.db2.gz OHJILGCPJZZNBQ-SNVBAGLBSA-N 0 0 400.485 4.858 50 0 HJAARN CCCn1c(CN2CCCCC2)nc2cc(NC(=O)COc3cccc(C)c3)ccc21 ZINC000065322229 569224427 /nfs/dbraw/zinc/22/44/27/569224427.db2.gz REPFBYAHNWTSRM-UHFFFAOYSA-N 0 0 420.557 4.758 50 0 HJAARN C[C@H]1CCc2sc(-c3nnc(SCC(=O)N4CCc5ccccc54)o3)cc2C1 ZINC000007131443 569225311 /nfs/dbraw/zinc/22/53/11/569225311.db2.gz NXTFTRIJTOXFKS-ZDUSSCGKSA-N 0 0 411.552 4.604 50 0 HJAARN C[C@@H]1CCc2sc(-c3nnc(SCC(=O)N4CCc5ccccc54)o3)cc2C1 ZINC000007131434 569225334 /nfs/dbraw/zinc/22/53/34/569225334.db2.gz NXTFTRIJTOXFKS-CYBMUJFWSA-N 0 0 411.552 4.604 50 0 HJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000036726640 569225437 /nfs/dbraw/zinc/22/54/37/569225437.db2.gz LNVOLZDTCFKLRD-HXUWFJFHSA-N 0 0 403.309 4.916 50 0 HJAARN O=C(CCCn1c(=O)oc2ccccc21)N(CCc1ccccc1)Cc1ccccc1 ZINC000036726004 569225441 /nfs/dbraw/zinc/22/54/41/569225441.db2.gz DQGJCZMFERAWKZ-UHFFFAOYSA-N 0 0 414.505 4.646 50 0 HJAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000036726639 569225454 /nfs/dbraw/zinc/22/54/54/569225454.db2.gz LNVOLZDTCFKLRD-FQEVSTJZSA-N 0 0 403.309 4.916 50 0 HJAARN COc1ccc(C(=O)[C@H](C)Sc2nnc([C@H](C)Oc3ccccc3F)o2)cc1 ZINC000007137642 569225643 /nfs/dbraw/zinc/22/56/43/569225643.db2.gz PMFDEGVZSIRZBL-STQMWFEESA-N 0 0 402.447 4.721 50 0 HJAARN Cc1ccc([C@@](O)(CCNC(=O)N[C@H](C)c2cc3ccccc3o2)C(F)(F)F)o1 ZINC000036744407 569225828 /nfs/dbraw/zinc/22/58/28/569225828.db2.gz LVHNYGCQZGVMKX-YJYMSZOUSA-N 0 0 410.392 4.535 50 0 HJAARN Cc1ccc(-n2ncc3c2NC(=O)C[C@H]3c2ccc(F)c(Br)c2)cc1 ZINC000065331588 569225869 /nfs/dbraw/zinc/22/58/69/569225869.db2.gz GVLJKEZNPMOGKL-AWEZNQCLSA-N 0 0 400.251 4.556 50 0 HJAARN O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000007159241 569226036 /nfs/dbraw/zinc/22/60/36/569226036.db2.gz LIDHUYPWRFVDLS-XBNFUDKQSA-N 0 0 418.537 4.735 50 0 HJAARN C[C@H](c1nnc(SCc2noc(C(C)(C)C)n2)n1-c1ccc(Cl)cc1)N(C)C ZINC000036735338 569226495 /nfs/dbraw/zinc/22/64/95/569226495.db2.gz HVLVPGKXHXERST-GFCCVEGCSA-N 0 0 420.970 4.516 50 0 HJAARN O=C(CSc1ncnc2ccccc21)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000007151885 569226628 /nfs/dbraw/zinc/22/66/28/569226628.db2.gz LOLBPMHTZMATNF-HXUWFJFHSA-N 0 0 409.511 4.828 50 0 HJAARN O=C(COc1ccccc1F)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 ZINC000007167322 569226973 /nfs/dbraw/zinc/22/69/73/569226973.db2.gz MFOPHOSLLRVSHF-GOSISDBHSA-N 0 0 404.397 4.922 50 0 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TUGLSMKWZAUMMA-UHFFFAOYSA-N 0 0 417.918 4.551 50 0 HJAARN O=C(CSc1nc2cc(Cl)cnc2[nH]1)N[C@@H](c1cccs1)c1ccccc1 ZINC000007240584 569230296 /nfs/dbraw/zinc/23/02/96/569230296.db2.gz FPQKWHHNRHXHPJ-QGZVFWFLSA-N 0 0 414.943 4.671 50 0 HJAARN O=C(Nc1cc2c(cc1Cl)OCCCO2)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000065440031 569230340 /nfs/dbraw/zinc/23/03/40/569230340.db2.gz TYUGGZKMDMEUNG-OAHLLOKOSA-N 0 0 406.841 4.676 50 0 HJAARN CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]4CC[C@](OC(C)=O)(C(C)=O)[C@]4(C)CC[C@@H]32)C1 ZINC000253612345 569230536 /nfs/dbraw/zinc/23/05/36/569230536.db2.gz JLYQTAVPLWZAFP-ZBZGGUAESA-N 0 0 416.558 4.772 50 0 HJAARN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000036874547 569230801 /nfs/dbraw/zinc/23/08/01/569230801.db2.gz KXZNPMASYURBTA-JLTOFOAXSA-N 0 0 402.416 4.847 50 0 HJAARN O=C(CN1CCCSc2ccccc21)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000007273998 569231640 /nfs/dbraw/zinc/23/16/40/569231640.db2.gz VNDDKMKZYOZEOX-UHFFFAOYSA-N 0 0 417.534 4.880 50 0 HJAARN 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/nfs/dbraw/zinc/25/50/92/569255092.db2.gz SYIFZHOZMJYUFR-UHFFFAOYSA-N 0 0 405.354 4.767 50 0 HJAARN CC1CCN(c2ccc(-c3cccc(NC(=O)NCc4ccccc4)c3)nn2)CC1 ZINC000013607817 569256702 /nfs/dbraw/zinc/25/67/02/569256702.db2.gz WUMAMKVZEJTORJ-UHFFFAOYSA-N 0 0 401.514 4.702 50 0 HJAARN COc1ccc(-c2noc(CCC(=O)Nc3ccc(C(C)(C)C)cc3)n2)cc1OC ZINC000014247408 569259222 /nfs/dbraw/zinc/25/92/22/569259222.db2.gz BKGAVNMQJRILID-UHFFFAOYSA-N 0 0 409.486 4.623 50 0 HJAARN Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3ccccc3Cl)nc2n1 ZINC000014373094 569259727 /nfs/dbraw/zinc/25/97/27/569259727.db2.gz VQFTUVZFPVUPPD-UHFFFAOYSA-N 0 0 423.929 4.939 50 0 HJAARN COc1ccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2cccc(Cl)c2)cc1 ZINC000014609996 569260719 /nfs/dbraw/zinc/26/07/19/569260719.db2.gz UKNPUMJIAQPMGQ-UHFFFAOYSA-N 0 0 422.847 4.988 50 0 HJAARN COc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2ccc(Cl)cc2)cc1 ZINC000014609902 569260765 /nfs/dbraw/zinc/26/07/65/569260765.db2.gz PZDWBDWQGFWZOO-UHFFFAOYSA-N 0 0 422.847 4.988 50 0 HJAARN 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/nfs/dbraw/zinc/26/33/79/569263379.db2.gz LZOSZPYJYAXROD-UHFFFAOYSA-N 0 0 414.571 4.719 50 0 HJAARN O=C(CCc1csc(NC(=O)Nc2cccc(Cl)c2)n1)NCc1cccs1 ZINC000016849158 569265544 /nfs/dbraw/zinc/26/55/44/569265544.db2.gz DZYBSNSLPQTPKL-UHFFFAOYSA-N 0 0 420.947 4.751 50 0 HJAARN O=C(Nc1cccc2c1CN(c1ccccn1)C2)c1cc(Br)ccc1F ZINC000089883840 569267695 /nfs/dbraw/zinc/26/76/95/569267695.db2.gz AQPUHERNXPJPTJ-UHFFFAOYSA-N 0 0 412.262 4.756 50 0 HJAARN COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc4ccccc4c3OC)C2)c(OC)c1 ZINC000089930404 569269061 /nfs/dbraw/zinc/26/90/61/569269061.db2.gz YUVOWZBQKTVWPP-QFIPXVFZSA-N 0 0 404.466 4.563 50 0 HJAARN CCOC(=O)Nc1ccc(NC(=O)c2c[nH]c3cccc(Br)c23)cc1 ZINC000089984753 569270996 /nfs/dbraw/zinc/27/09/96/569270996.db2.gz XWCVOMIZMSSWLY-UHFFFAOYSA-N 0 0 402.248 4.751 50 0 HJAARN Cc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3)c3ccccc32)cc1 ZINC000017042290 569272383 /nfs/dbraw/zinc/27/23/83/569272383.db2.gz VDYHATHDBZEYJW-UHFFFAOYSA-N 0 0 418.518 4.562 50 0 HJAARN 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401.418 4.564 50 0 biogenic HJAARN CCCCOC(=O)c1ccc(N2COc3ccc4c(C)c(C)c(=O)oc4c3C2)cc1 ZINC000002125079 569286058 /nfs/dbraw/zinc/28/60/58/569286058.db2.gz ARHSEOMLHDIOES-UHFFFAOYSA-N 0 0 407.466 4.723 50 0 biogenic HJAARN CCN(C)c1nc2nn(Cc3ccccc3)c(N)c2c(-c2ccc(C(C)C)cc2)n1 ZINC000037376689 569288010 /nfs/dbraw/zinc/28/80/10/569288010.db2.gz QKUVNIHUMQUJSI-UHFFFAOYSA-N 0 0 400.530 4.703 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000007598226 569288092 /nfs/dbraw/zinc/28/80/92/569288092.db2.gz DYBUAAUOAFLFLX-UHFFFAOYSA-N 0 0 406.913 4.925 50 0 HJAARN O=C(c1cc2ccccc2n1Cc1ccccc1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000252536320 569292890 /nfs/dbraw/zinc/29/28/90/569292890.db2.gz IDTHMDWBUCJNHP-QQKQFIJSSA-N 0 0 402.538 4.845 50 0 HJAARN CCNc1nc(NC(C)C)nc(SCCOc2ccc(Cl)cc2Cl)n1 ZINC000002183428 569293555 /nfs/dbraw/zinc/29/35/55/569293555.db2.gz RUGCRKRKJNNTJZ-UHFFFAOYSA-N 0 0 402.351 4.602 50 0 HJAARN CCOc1ccc(-c2csc(N[C@H]3OC(=O)c4c3ccc(OC)c4OC)n2)cc1 ZINC000002200081 569294891 /nfs/dbraw/zinc/29/48/91/569294891.db2.gz BVEDBYPBRAHYBX-IBGZPJMESA-N 0 0 412.467 4.507 50 0 HJAARN Cc1cc(C)cc(N2C[C@@H](c3nc(-c4ccc(Br)cc4)no3)CC2=O)c1 ZINC000007615845 569295790 /nfs/dbraw/zinc/29/57/90/569295790.db2.gz YQFMPUKJACBPOK-HNNXBMFYSA-N 0 0 412.287 4.636 50 0 HJAARN Cc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 ZINC000007616051 569295911 /nfs/dbraw/zinc/29/59/11/569295911.db2.gz LGVJACMMIFBHIQ-UHFFFAOYSA-N 0 0 403.869 4.664 50 0 HJAARN CC(=O)c1cccc(NC(=O)[C@H](Sc2nnc(C)n2C2CC2)c2ccccc2)c1 ZINC000007617384 569296011 /nfs/dbraw/zinc/29/60/11/569296011.db2.gz QJGCLTAIHOULFB-HXUWFJFHSA-N 0 0 406.511 4.596 50 0 HJAARN Cc1nnc(SCc2ccc(C(=O)NCc3ccco3)cc2)n1-c1ccc(F)cc1 ZINC000037397702 569296774 /nfs/dbraw/zinc/29/67/74/569296774.db2.gz QWVIEFADALJHAC-UHFFFAOYSA-N 0 0 422.485 4.530 50 0 HJAARN CC[C@@H](C(=O)NCCOC)n1c(Cc2c(Cl)cccc2Cl)nc2ccccc21 ZINC000037398608 569297128 /nfs/dbraw/zinc/29/71/28/569297128.db2.gz CWXVFMGMUQPNQN-SFHVURJKSA-N 0 0 420.340 4.648 50 0 HJAARN O=C(c1cccc(F)c1)N(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037440965 569299564 /nfs/dbraw/zinc/29/95/64/569299564.db2.gz KOPMYJKLMNOOMC-JOCHJYFZSA-N 0 0 424.422 4.940 50 0 HJAARN CC[C@H](C)Cc1c(C)sc2[nH]c(SCC(=O)Nc3ccccc3C)nc(=O)c12 ZINC000007672476 569299965 /nfs/dbraw/zinc/29/99/65/569299965.db2.gz GQJDRWDPFFRHSC-LBPRGKRZSA-N 0 0 415.584 4.921 50 0 HJAARN O=S(=O)(N[C@H](c1cccs1)c1ccccc1)c1cccc(Br)c1 ZINC000007702139 569301344 /nfs/dbraw/zinc/30/13/44/569301344.db2.gz DJSOAQBSHCJBRN-KRWDZBQOSA-N 0 0 408.342 4.579 50 0 HJAARN COc1ccc(C(C)=O)cc1CC(=O)N(C1=N[C@H](C)CS1)c1ccc(Cl)cc1 ZINC000007735284 569304646 /nfs/dbraw/zinc/30/46/46/569304646.db2.gz SULDJKYXXPNPLE-CYBMUJFWSA-N 0 0 416.930 4.618 50 0 HJAARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3sc(C)cc3n2Cc2ccc(C)cc2)C1 ZINC000037542470 569305199 /nfs/dbraw/zinc/30/51/99/569305199.db2.gz CWMFKUSSMBDVTQ-LJQANCHMSA-N 0 0 424.566 4.783 50 0 HJAARN O=C(Cc1ccc(N(Cc2cccc(F)c2)C(=O)C2CC2)cc1)NCc1ccccc1 ZINC000037555794 569306358 /nfs/dbraw/zinc/30/63/58/569306358.db2.gz FRRAPNTXGMGXEJ-UHFFFAOYSA-N 0 0 416.496 4.628 50 0 HJAARN CCNC(=O)Cc1ccc(N(Cc2ccc(C)cc2)C(=O)c2cccc(F)c2)cc1 ZINC000037556168 569306371 /nfs/dbraw/zinc/30/63/71/569306371.db2.gz BZDVHYAETUYCNU-UHFFFAOYSA-N 0 0 404.485 4.660 50 0 HJAARN CCOc1cc(C(=O)NCc2cccc(C(F)(F)F)c2)cc(OCC)c1OCC ZINC000007755863 569307230 /nfs/dbraw/zinc/30/72/30/569307230.db2.gz CJIYOUTZZKSNKS-UHFFFAOYSA-N 0 0 411.420 4.832 50 0 HJAARN C[C@H](NC(=O)[C@H]1CCN(c2ccc(Oc3ccccc3)cc2)C1=O)c1ccccc1 ZINC000037571852 569307415 /nfs/dbraw/zinc/30/74/15/569307415.db2.gz FKFJBKKVFOFVCA-FDDCHVKYSA-N 0 0 400.478 4.709 50 0 HJAARN COc1cccc(N(C(=O)C(C)C)C2CCN(Cc3cccc(F)c3F)CC2)c1 ZINC000037587445 569308234 /nfs/dbraw/zinc/30/82/34/569308234.db2.gz SFDBVOFGIPNFHO-UHFFFAOYSA-N 0 0 402.485 4.627 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)CSc1nnc(Cc2ccc(Cl)cc2)[nH]1 ZINC000007777263 569308594 /nfs/dbraw/zinc/30/85/94/569308594.db2.gz FWNFJGHVTDKRRD-UHFFFAOYSA-N 0 0 407.326 4.742 50 0 HJAARN O=c1c2oc3nc4c(cc3c2ncn1Cc1ccc(Cl)cc1Cl)CCCC4 ZINC000002214295 569309626 /nfs/dbraw/zinc/30/96/26/569309626.db2.gz CLRKRKZHWCRRMR-UHFFFAOYSA-N 0 0 400.265 4.772 50 0 HJAARN C[C@@H](c1ccncc1)n1nccc1NC(=O)c1cccnc1Sc1ccccc1 ZINC000007781591 569309985 /nfs/dbraw/zinc/30/99/85/569309985.db2.gz JTRYWVDAHLDGQF-INIZCTEOSA-N 0 0 401.495 4.686 50 0 HJAARN COc1ccc(-c2nc(-c3ccc(CC[C@@H](C)NC(C)=O)cc3)cs2)cc1OC ZINC000007785510 569310297 /nfs/dbraw/zinc/31/02/97/569310297.db2.gz UMLZMWJWDGJNTJ-OAHLLOKOSA-N 0 0 410.539 4.952 50 0 HJAARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1sc(NC(=O)C(C)(C)C)cc1C ZINC000027389092 569312189 /nfs/dbraw/zinc/31/21/89/569312189.db2.gz TUJSCQNUYYFMRT-AWEZNQCLSA-N 0 0 415.559 4.822 50 0 HJAARN CC[C@H](C)COC(=O)c1c(N)n([C@@H](C)c2ccccc2)c2nc3ccccc3nc12 ZINC000002220860 569312925 /nfs/dbraw/zinc/31/29/25/569312925.db2.gz PGKNGIDFLQGFTC-HOTGVXAUSA-N 0 0 402.498 4.979 50 0 HJAARN COc1ccc([C@H]2CCCN2C(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1 ZINC000027396768 569312951 /nfs/dbraw/zinc/31/29/51/569312951.db2.gz RDRSJFMMYAAHMX-HSZRJFAPSA-N 0 0 406.482 4.856 50 0 HJAARN CC(C)[C@H](NC(=O)CSc1nc2ccccc2o1)c1ccc2c(c1)OCCCO2 ZINC000007883874 569315143 /nfs/dbraw/zinc/31/51/43/569315143.db2.gz URPQKUDDVZEVAE-NRFANRHFSA-N 0 0 412.511 4.595 50 0 HJAARN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4Cc5c(c(C)nn5C(C)=O)[C@@]4(C)CC[C@H]32)C1 ZINC000252694472 569320160 /nfs/dbraw/zinc/32/01/60/569320160.db2.gz LFSRWPRCKLPVBQ-XWOBKLQRSA-N 0 0 410.558 4.760 50 0 biogenic HJAARN CCOc1ccccc1NC(=O)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000002725336 569322568 /nfs/dbraw/zinc/32/25/68/569322568.db2.gz VAGFWFRLZDFQFW-QGZVFWFLSA-N 0 0 402.756 4.548 50 0 HJAARN CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)c(COc2ccccn2)c1 ZINC000002244417 569323845 /nfs/dbraw/zinc/32/38/45/569323845.db2.gz WZCLAIOROSNKBI-QHCPKHFHSA-N 0 0 403.482 4.646 50 0 HJAARN CCc1ccccc1-n1c(N)c(C(=O)OCCC(C)C)c2nc3ccccc3nc21 ZINC000002248021 569324410 /nfs/dbraw/zinc/32/44/10/569324410.db2.gz HIADRASPKKGSJL-UHFFFAOYSA-N 0 0 402.498 4.921 50 0 HJAARN CC(C)COC(=O)c1c(N)n(Cc2ccc(Cl)cc2)c2nc3ccccc3nc12 ZINC000002256602 569326443 /nfs/dbraw/zinc/32/64/43/569326443.db2.gz PZLVFNRGICBIKL-UHFFFAOYSA-N 0 0 408.889 4.681 50 0 HJAARN FC(F)(F)C1(C(F)(F)F)N=C(c2cccc(Cl)c2)OC(N2CCCCC2)=N1 ZINC000002275240 569327729 /nfs/dbraw/zinc/32/77/29/569327729.db2.gz BRNQTDLTCUDGLW-UHFFFAOYSA-N 0 0 413.749 4.780 50 0 HJAARN COc1cc2c(cc1OC)[C@]1(Cc3ccc(Cl)cc3)[C@@H]3CC=CC[C@H]3C(=O)N1CC2 ZINC000019798647 569357346 /nfs/dbraw/zinc/35/73/46/569357346.db2.gz BIHDSPSHHZUMPY-FHAGJXEFSA-N 0 0 423.940 4.776 50 0 HJAARN CCCN(CCC)C(=O)N1CCN(c2cc(C(F)(F)F)nc3ccccc32)CC1 ZINC000019924791 569357561 /nfs/dbraw/zinc/35/75/61/569357561.db2.gz SSLSASPNSQQQGD-UHFFFAOYSA-N 0 0 408.468 4.618 50 0 HJAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3[C@H](O)C(=O)[C@@]21C ZINC000257347506 569363907 /nfs/dbraw/zinc/36/39/07/569363907.db2.gz JUIAJKQHOKYMHP-MRKKJIOTSA-N 0 0 404.591 4.775 50 0 HJAARN COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C ZINC000257357017 569364486 /nfs/dbraw/zinc/36/44/86/569364486.db2.gz LOJPGRHPJBGMMF-ZMVLTLAASA-N 0 0 404.591 4.775 50 0 HJAARN CSc1nc(-c2ccco2)nc(C)c1C(=O)N(C)C1CCN(c2ccccc2)CC1 ZINC000253421707 569367984 /nfs/dbraw/zinc/36/79/84/569367984.db2.gz GSXOQKMFDPWHFR-UHFFFAOYSA-N 0 0 422.554 4.508 50 0 HJAARN COc1ccc([C@H]2Nc3cc(OC)c(OC)cc3C(=O)N2c2ccc(C)cc2)cc1 ZINC000002292012 569369236 /nfs/dbraw/zinc/36/92/36/569369236.db2.gz QFAGWYDVVVIYHT-QHCPKHFHSA-N 0 0 404.466 4.792 50 0 HJAARN CCOC(=O)C1=NN(c2ccccc2)[C@H](c2cccs2)N1c1ccc(N(C)C)cc1 ZINC000002297036 569369605 /nfs/dbraw/zinc/36/96/05/569369605.db2.gz VTGZQTHEYVQPEY-JOCHJYFZSA-N 0 0 420.538 4.716 50 0 HJAARN COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H]1CC=CC[C@H]1Cc1ccccc1 ZINC000002320259 569375023 /nfs/dbraw/zinc/37/50/23/569375023.db2.gz RXFUGJQYDAQJPM-WMZOPIPTSA-N 0 0 406.457 4.857 50 0 HJAARN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C[C@H]5CN=N[C@@]54C(C)=O)[C@H]3CC[C@H]2C1 ZINC000253531921 569382744 /nfs/dbraw/zinc/38/27/44/569382744.db2.gz LFWLQRNCCYFSPX-FYYCCOEVSA-N 0 0 400.563 4.981 50 0 HJAARN CC(=O)O[C@@H]1C=C2CC[C@@H]3[C@@H]4CC[C@](OC(C)=O)(C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 ZINC000253534433 569382790 /nfs/dbraw/zinc/38/27/90/569382790.db2.gz JNZLFQBVNULBKB-SQPISVFWSA-N 0 0 416.558 4.772 50 0 HJAARN Cc1ccc(-c2c(=O)c(C)nn(-c3ccccc3)c2NC(=O)c2ccccc2F)cc1 ZINC000002363484 569387291 /nfs/dbraw/zinc/38/72/91/569387291.db2.gz XEDCEDYUCROTOO-UHFFFAOYSA-N 0 0 413.452 4.908 50 0 HJAARN CCOc1ccc(-n2c(N)c(C(=O)OC[C@H](C)CC)c3nc4ccccc4nc32)cc1 ZINC000002367070 569388308 /nfs/dbraw/zinc/38/83/08/569388308.db2.gz KSNVBBOMGGGKTO-OAHLLOKOSA-N 0 0 418.497 4.758 50 0 HJAARN CC(C)(C)OC(=O)NCCc1nnc(SCc2ccc(Cl)c(Cl)c2)o1 ZINC000002378655 569389731 /nfs/dbraw/zinc/38/97/31/569389731.db2.gz WOAWWMQEDRAQPJ-UHFFFAOYSA-N 0 0 404.319 4.736 50 0 HJAARN O=C(Nc1nc2n(n1)[C@@H](c1ccccc1Cl)C[C@@H](c1ccccc1)N2)c1ccco1 ZINC000002398371 569394674 /nfs/dbraw/zinc/39/46/74/569394674.db2.gz DFSMFAADKMMFOB-ZWKOTPCHSA-N 0 0 419.872 4.923 50 0 HJAARN Cc1nc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccccc2)sc1C ZINC000002409082 569396490 /nfs/dbraw/zinc/39/64/90/569396490.db2.gz VDWDQLMLJCTYQB-LJQANCHMSA-N 0 0 402.475 4.925 50 0 HJAARN CCCOC(=O)c1ccc(Oc2coc3cc(OC(=O)C(C)C)ccc3c2=O)cc1 ZINC000002414466 569397164 /nfs/dbraw/zinc/39/71/64/569397164.db2.gz GIUNHXFLMYUGJO-UHFFFAOYSA-N 0 0 410.422 4.714 50 0 biogenic HJAARN Nc1c(S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc2n1C1CCCCC1 ZINC000002414923 569397273 /nfs/dbraw/zinc/39/72/73/569397273.db2.gz LYOOPHMICZLNSL-UHFFFAOYSA-N 0 0 424.501 4.644 50 0 HJAARN Cc1cc(C(=O)Nc2ccc(I)cc2)c2cc(F)ccc2n1 ZINC000002429616 569398965 /nfs/dbraw/zinc/39/89/65/569398965.db2.gz YVOOFJNHOHSSSD-UHFFFAOYSA-N 0 0 406.198 4.539 50 0 HJAARN Cc1ccc(-n2ncc3c4nc(-c5cc6ccccc6cc5O)nn4cnc32)c(C)c1 ZINC000002434352 569399394 /nfs/dbraw/zinc/39/93/94/569399394.db2.gz YOKTVJUALJSXPR-UHFFFAOYSA-N 0 0 406.449 4.606 50 0 HJAARN O=C(NN1C(=O)C2(CCCCC2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000002439897 569400293 /nfs/dbraw/zinc/40/02/93/569400293.db2.gz DRSAWBRPYMWNOB-GOSISDBHSA-N 0 0 413.315 4.628 50 0 HJAARN CCOC(=O)N/N=C(/C)C1=CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000012657596 569402407 /nfs/dbraw/zinc/40/24/07/569402407.db2.gz LJXRMMRZNQCIDI-QLEIUFQSSA-N 0 0 400.563 4.968 50 0 biogenic HJAARN COc1ccc(/N=c2/cc(-c3ccc4c(c3)OCO4)oc3ccc(O)cc32)c(OC)c1 ZINC000012659279 569402573 /nfs/dbraw/zinc/40/25/73/569402573.db2.gz SHZMSOOWTATCFZ-PLRJNAJWSA-N 0 0 417.417 4.784 50 0 biogenic HJAARN C[C@@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)NCC1CCCCC1 ZINC000012696949 569402833 /nfs/dbraw/zinc/40/28/33/569402833.db2.gz QILHDFQOMDWNOE-GFCCVEGCSA-N 0 0 424.364 4.676 50 0 HJAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)cc1F ZINC000002450734 569404002 /nfs/dbraw/zinc/40/40/02/569404002.db2.gz ZRLNJSQVKLXGDQ-UHFFFAOYSA-N 0 0 412.534 4.958 50 0 HJAARN CN(C)C(=O)c1cccc(NC(=O)c2cccnc2Sc2ccc(Cl)cc2)c1 ZINC000013002976 569406558 /nfs/dbraw/zinc/40/65/58/569406558.db2.gz KAOPBVXSGKBBOK-UHFFFAOYSA-N 0 0 411.914 4.840 50 0 HJAARN COc1ccc(-c2nc(CSCC(=O)Nc3cccc(C(C)=O)c3)cs2)cc1 ZINC000013019314 569407416 /nfs/dbraw/zinc/40/74/16/569407416.db2.gz AFJLPFNJQCCLTF-UHFFFAOYSA-N 0 0 412.536 4.893 50 0 HJAARN Cc1cc(OCCCC(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1Cl ZINC000013095265 569408866 /nfs/dbraw/zinc/40/88/66/569408866.db2.gz GJYPAJQGRLAKOI-UHFFFAOYSA-N 0 0 407.341 4.810 50 0 HJAARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000013137817 569409811 /nfs/dbraw/zinc/40/98/11/569409811.db2.gz YEOFPXJLLFMBNX-UHFFFAOYSA-N 0 0 422.893 4.726 50 0 HJAARN Cc1ccc(NC(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(C)cc2)CC3)cc1 ZINC000013355886 569411377 /nfs/dbraw/zinc/41/13/77/569411377.db2.gz ONLGMHCQDXRELX-UHFFFAOYSA-N 0 0 421.522 4.699 50 0 HJAARN Cc1ccc(C(=O)Nc2ccc(SCc3nc4ccccc4[nH]c3=O)cc2)cc1 ZINC000013360987 569411711 /nfs/dbraw/zinc/41/17/11/569411711.db2.gz HGTHAHZMMZWHRY-UHFFFAOYSA-N 0 0 401.491 4.776 50 0 HJAARN O=C(Nc1ccc(SCc2nc3ccccc3[nH]c2=O)cc1)c1cccc(F)c1 ZINC000013360996 569411712 /nfs/dbraw/zinc/41/17/12/569411712.db2.gz GFVQAYVNWPGIMG-UHFFFAOYSA-N 0 0 405.454 4.607 50 0 HJAARN O=C(Cn1nc(-c2ccccc2)c2ccccc21)NCc1ccccc1Br ZINC000013369619 569412683 /nfs/dbraw/zinc/41/26/83/569412683.db2.gz WTXUCMQDLITQGK-UHFFFAOYSA-N 0 0 420.310 4.782 50 0 HJAARN CC[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1 ZINC000328592500 569415430 /nfs/dbraw/zinc/41/54/30/569415430.db2.gz ZPZYHNQRSHHEBP-JOCHJYFZSA-N 0 0 403.478 4.788 50 0 HJAARN C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000328593260 569415554 /nfs/dbraw/zinc/41/55/54/569415554.db2.gz UFEHLSQUEYDGHZ-IAQYHMDHSA-N 0 0 413.326 4.741 50 0 HJAARN O=C(Nc1cnc(Br)cn1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000078899459 569421439 /nfs/dbraw/zinc/42/14/39/569421439.db2.gz SJFUXDKQGDVOKW-KRWDZBQOSA-N 0 0 400.301 4.711 50 0 HJAARN CCc1ccccc1NC(=O)CN1CCCN(C(=O)OC(C)(C)C)c2ccccc21 ZINC000078969648 569422407 /nfs/dbraw/zinc/42/24/07/569422407.db2.gz VWXFLJGFDCKDOT-UHFFFAOYSA-N 0 0 409.530 4.839 50 0 HJAARN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N(CCc1ccccc1)[C@@H]1CCOC1 ZINC000079053669 569425832 /nfs/dbraw/zinc/42/58/32/569425832.db2.gz MEKRGOZJSDZCNN-OAQYLSRUSA-N 0 0 424.928 4.788 50 0 HJAARN CC(C)Cn1ccc2c1cccc2NC(=O)Cc1nn(C(C)C)c(=O)c2ccccc12 ZINC000079474606 569431371 /nfs/dbraw/zinc/43/13/71/569431371.db2.gz SIZHLNATTNLPNU-UHFFFAOYSA-N 0 0 416.525 4.769 50 0 HJAARN COC(=O)[C@](NC(=O)CCC1CCCCC1)(c1c[nH]c2ccccc21)C(F)(F)F ZINC000079480082 569431720 /nfs/dbraw/zinc/43/17/20/569431720.db2.gz BOJBRUKDZLEJQM-HXUWFJFHSA-N 0 0 410.436 4.575 50 0 HJAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](C)c2ccccc2Cl)cc1 ZINC000012756757 571044748 /nfs/dbraw/zinc/04/47/48/571044748.db2.gz HBGBRCCVVQYNKV-CQSZACIVSA-N 0 0 400.935 4.837 50 0 HJAARN Cc1cccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2cc(C)cc(C)c2)c1 ZINC000038652901 571052531 /nfs/dbraw/zinc/05/25/31/571052531.db2.gz GYMWGOXXLKHPFM-UHFFFAOYSA-N 0 0 414.552 4.751 50 0 HJAARN CCc1ccc(-c2nc(SCC(=O)Nc3cc(C)c(Cl)cc3OC)n[nH]2)cc1 ZINC000008483902 571054999 /nfs/dbraw/zinc/05/49/99/571054999.db2.gz BOGGYGRMNZTHJU-UHFFFAOYSA-N 0 0 416.934 4.735 50 0 HJAARN Cc1c(NC(=S)Nc2ccc(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000008490498 571056548 /nfs/dbraw/zinc/05/65/48/571056548.db2.gz MNASVUPUZKQMIY-UHFFFAOYSA-N 0 0 407.326 4.600 50 0 HJAARN COc1ccc(-c2nc(C)cc(SCC(=O)Nc3cccc(SC)c3)n2)cc1 ZINC000067257619 571056840 /nfs/dbraw/zinc/05/68/40/571056840.db2.gz BSDJZVMSJNZSJN-UHFFFAOYSA-N 0 0 411.552 4.913 50 0 HJAARN CCOc1ccc(NC(=O)CSc2cc(C)nc(-c3ccc(OC)cc3)n2)cc1 ZINC000067257497 571056891 /nfs/dbraw/zinc/05/68/91/571056891.db2.gz IDTMXUKIZFWHSV-UHFFFAOYSA-N 0 0 409.511 4.590 50 0 HJAARN O=c1c2ccccc2nc(SCc2c(F)cccc2Cl)n1Cc1cccnc1 ZINC000067258400 571057614 /nfs/dbraw/zinc/05/76/14/571057614.db2.gz FEDUJHVDZPWGOF-UHFFFAOYSA-N 0 0 411.889 4.925 50 0 HJAARN 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/nfs/dbraw/zinc/09/15/64/571091564.db2.gz GSMCOPLVPLVZIP-UHFFFAOYSA-N 0 0 415.536 4.725 50 0 HJAARN COc1cccc(Cn2c(C)c(C[NH2+]Cc3ccccc3Cl)c(C(=O)[O-])c2C)c1 ZINC000008614233 571095794 /nfs/dbraw/zinc/09/57/94/571095794.db2.gz GAPADWKSSNDRBI-UHFFFAOYSA-N 0 0 412.917 4.803 50 0 HJAARN Cc1cccc(C)c1OCC(=O)Nc1nc(-c2ccc(Br)cc2)ns1 ZINC000008654869 571098888 /nfs/dbraw/zinc/09/88/88/571098888.db2.gz MYFTZVRCECJMJF-UHFFFAOYSA-N 0 0 418.316 4.602 50 0 HJAARN CC(C)c1ccc(CNc2nc(-c3ccco3)nn2S(=O)(=O)c2ccccc2)cc1 ZINC000008673773 571100732 /nfs/dbraw/zinc/10/07/32/571100732.db2.gz MILKYAFFZLMFPH-UHFFFAOYSA-N 0 0 422.510 4.511 50 0 HJAARN CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)NCc1cccc(Cl)c1 ZINC000008708190 571104179 /nfs/dbraw/zinc/10/41/79/571104179.db2.gz ZYWBHPTWVYGKMZ-UHFFFAOYSA-N 0 0 414.720 4.817 50 0 HJAARN COc1ccc(-c2nnc([C@H](C)Sc3nccn3-c3ccc(OC)cc3)o2)cc1 ZINC000008708506 571104483 /nfs/dbraw/zinc/10/44/83/571104483.db2.gz RWXBZFJECTXVSY-AWEZNQCLSA-N 0 0 408.483 4.793 50 0 HJAARN CCCCN1C[C@H](c2nc3ccccc3n2CCCOc2cccc(OC)c2)CC1=O ZINC000008710279 571104702 /nfs/dbraw/zinc/10/47/02/571104702.db2.gz YPPJFPXQENSLCX-LJQANCHMSA-N 0 0 421.541 4.630 50 0 HJAARN COc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000008720519 571106990 /nfs/dbraw/zinc/10/69/90/571106990.db2.gz FETVDIYATCFHBZ-MRXNPFEDSA-N 0 0 403.482 4.760 50 0 HJAARN COc1cccc(-n2nc(C)c(CCC(=O)Nc3cccc4cccnc43)c2C)c1 ZINC000008727046 571108494 /nfs/dbraw/zinc/10/84/94/571108494.db2.gz RWROELMEDHGVOT-UHFFFAOYSA-N 0 0 400.482 4.617 50 0 HJAARN CC(C)n1cnnc1SCC(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000008728129 571108694 /nfs/dbraw/zinc/10/86/94/571108694.db2.gz HAGWTPSHSOAUQZ-UHFFFAOYSA-N 0 0 413.572 4.592 50 0 HJAARN C[C@H]1CC(=O)c2c1c(F)ccc2OCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000008734400 571109698 /nfs/dbraw/zinc/10/96/98/571109698.db2.gz VQCPISZKMJYPQZ-INIZCTEOSA-N 0 0 403.453 4.800 50 0 HJAARN CCOCCCNc1nnc(SCc2coc(-c3ccc(Cl)cc3)n2)s1 ZINC000008750460 571112100 /nfs/dbraw/zinc/11/21/00/571112100.db2.gz 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O=C(CCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccc(Cl)cc1 ZINC000008847987 571125973 /nfs/dbraw/zinc/12/59/73/571125973.db2.gz YPZDGBROLMMQIV-LJQANCHMSA-N 0 0 413.901 4.828 50 0 HJAARN CC(=O)NCCc1ccc(-c2csc(-c3cccc(Br)c3)n2)cc1 ZINC000008852213 571127209 /nfs/dbraw/zinc/12/72/09/571127209.db2.gz XAVGCBPEIQGDRG-UHFFFAOYSA-N 0 0 401.329 4.918 50 0 HJAARN O=C(Cc1csc(SCc2ccc(F)cc2)n1)NCc1c(F)cccc1F ZINC000008854191 571127628 /nfs/dbraw/zinc/12/76/28/571127628.db2.gz SUWMHSFSLUPDCL-UHFFFAOYSA-N 0 0 408.470 4.712 50 0 HJAARN COc1cc2ccccc2cc1C(=O)N1CCN(c2nc3c(cccc3F)s2)CC1 ZINC000008860340 571128405 /nfs/dbraw/zinc/12/84/05/571128405.db2.gz CDXLHRDCGZXAFH-UHFFFAOYSA-N 0 0 421.497 4.560 50 0 HJAARN C[C@@H]1CCc2c(sc3ncnc(Sc4nnc(-c5cccnc5)n4C4CC4)c23)C1 ZINC000040019905 571139079 /nfs/dbraw/zinc/13/90/79/571139079.db2.gz VYWPOLRPNSYDLN-GFCCVEGCSA-N 0 0 420.567 4.956 50 0 HJAARN Cc1noc(C)c1CSc1ccccc1C(=O)OCc1nnc(-c2ccccc2)o1 ZINC000008882857 571140484 /nfs/dbraw/zinc/14/04/84/571140484.db2.gz UMBRJUBVXWXBDY-UHFFFAOYSA-N 0 0 421.478 4.991 50 0 HJAARN O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cc2c([nH]c1=O)CCCC2=O ZINC000040057686 571145840 /nfs/dbraw/zinc/14/58/40/571145840.db2.gz KISDKTCYNQUIQW-UHFFFAOYSA-N 0 0 408.841 4.592 50 0 HJAARN Cc1ccc([C@@H](NC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c2cccs2)cc1 ZINC000040068800 571149011 /nfs/dbraw/zinc/14/90/11/571149011.db2.gz PXSREOBMHABPHC-HTAPYJJXSA-N 0 0 417.538 4.787 50 0 HJAARN C[C@H](NC(=O)N(C)Cc1ccccc1OC(F)(F)F)c1ccc(-n2ccnc2)cc1 ZINC000040068791 571149029 /nfs/dbraw/zinc/14/90/29/571149029.db2.gz VKDVMAJMEYUDKE-HNNXBMFYSA-N 0 0 418.419 4.674 50 0 HJAARN CCNC(=O)c1ccc(Cn2c3cnccc3nc2SCc2ccccc2C)cc1 ZINC000008913672 571149876 /nfs/dbraw/zinc/14/98/76/571149876.db2.gz JHJPIYBXXHGLSX-UHFFFAOYSA-N 0 0 416.550 4.830 50 0 HJAARN C[C@@H](c1ccccc1)N1C(=S)N=NC1Cn1c2ccccc2nc1-c1ccccn1 ZINC000008914563 571150552 /nfs/dbraw/zinc/15/05/52/571150552.db2.gz AMXUEKXZHPBYEJ-INIZCTEOSA-N 0 0 412.522 4.636 50 0 HJAARN 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CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)C1 ZINC000010322281 571300265 /nfs/dbraw/zinc/30/02/65/571300265.db2.gz OMLYQGZFBRNTGP-SFHVURJKSA-N 0 0 420.513 4.587 50 0 HJAARN CC(C)c1ccc([C@@H]2Oc3ccccc3C3=Nc4nnnn4[C@@H](c4cccnc4)C32)cc1 ZINC000010337016 571301088 /nfs/dbraw/zinc/30/10/88/571301088.db2.gz POKUNDDUCOLHGT-ZEQRLZLVSA-N 0 0 422.492 4.751 50 0 HJAARN COc1cccc2sc(N(CCCn3ccnc3)C(=O)/C=C/c3cccs3)nc21 ZINC000010381545 571301630 /nfs/dbraw/zinc/30/16/30/571301630.db2.gz KCZQVSHPCZHNSW-CMDGGOBGSA-N 0 0 424.551 4.700 50 0 HJAARN Cc1nn(-c2ccccc2)c(Cl)c1C[S@@](=O)Cc1coc(-c2cccs2)n1 ZINC000071846933 571303416 /nfs/dbraw/zinc/30/34/16/571303416.db2.gz LXKDIEVWBJXRNS-HHHXNRCGSA-N 0 0 417.943 5.000 50 0 HJAARN O=C(NCCOc1ccc(-c2ccc(F)cc2)nn1)c1ccc(-c2ccccc2)cc1 ZINC000010509439 571303878 /nfs/dbraw/zinc/30/38/78/571303878.db2.gz VGKSRFYQJIEKTQ-UHFFFAOYSA-N 0 0 413.452 4.759 50 0 HJAARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(c2nnc(C(F)(F)F)o2)CC1 ZINC000077197734 571312567 /nfs/dbraw/zinc/31/25/67/571312567.db2.gz PXAJQDOUNCKLCB-UHFFFAOYSA-N 0 0 409.195 4.807 50 0 HJAARN Cc1ccc(/C=C/S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1 ZINC000077200749 571313146 /nfs/dbraw/zinc/31/31/46/571313146.db2.gz MOOVJMBVHDWMNQ-SDNWHVSQSA-N 0 0 424.547 4.672 50 0 HJAARN C[C@H](CC(=O)N1CCC(c2nc(-c3ccc4c(c3)OCO4)no2)CC1)CC(C)(C)C ZINC000022634474 571315272 /nfs/dbraw/zinc/31/52/72/571315272.db2.gz LTRURIXEIVNNSW-OAHLLOKOSA-N 0 0 413.518 4.634 50 0 HJAARN Cc1ccc(C(=O)N2CCN(c3nc4ccccc4nc3-c3ccccc3)CC2)cc1 ZINC000001067350 132236142 /nfs/dbraw/zinc/23/61/42/132236142.db2.gz HRKCEYQJKVWLCE-UHFFFAOYSA-N 0 0 408.505 4.568 50 0 HJAARN COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(Cl)c1N1CCCCC1 ZINC000001068535 132236320 /nfs/dbraw/zinc/23/63/20/132236320.db2.gz AWFSUDGZRVJCHF-UHFFFAOYSA-N 0 0 417.962 4.774 50 0 HJAARN CCOc1ccc(C(=S)N2CCN(c3cccc(Cl)c3)CC2)cc1OCC ZINC000001077634 132236687 /nfs/dbraw/zinc/23/66/87/132236687.db2.gz CLLAQFBJVKLCMP-UHFFFAOYSA-N 0 0 404.963 4.635 50 0 HJAARN COC(=O)C1=CN(c2ccc(Cl)cc2)C=C(C(=O)OC)C1c1cccc(Cl)c1 ZINC000001120160 132238017 /nfs/dbraw/zinc/23/80/17/132238017.db2.gz YMOXDTLGZUWSGF-UHFFFAOYSA-N 0 0 418.276 4.711 50 0 HJAARN CCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)cc1Cl ZINC000001133388 132238557 /nfs/dbraw/zinc/23/85/57/132238557.db2.gz SHNUQFIRXUYVIG-UHFFFAOYSA-N 0 0 417.962 4.856 50 0 HJAARN CCN1C(=O)CCc2cc(NC(=O)c3c(C)onc3-c3ccccc3Cl)ccc21 ZINC000009827696 132245308 /nfs/dbraw/zinc/24/53/08/132245308.db2.gz QMIXKLFVRILDQM-UHFFFAOYSA-N 0 0 409.873 4.855 50 0 HJAARN COc1ccc(CN2c3ccccc3N(C(=O)c3c(F)cccc3F)[C@@H](C)C2=O)cc1 ZINC000001385998 132245533 /nfs/dbraw/zinc/24/55/33/132245533.db2.gz NSFFXGDUGIZIJN-HNNXBMFYSA-N 0 0 422.431 4.556 50 0 HJAARN O=C1c2ccccc2N[C@H](c2ccc3c(c2)OCO3)N1c1ccc(Br)cc1 ZINC000001445525 132246265 /nfs/dbraw/zinc/24/62/65/132246265.db2.gz GTIFBJBLXVSRDO-FQEVSTJZSA-N 0 0 423.266 4.949 50 0 HJAARN Cc1nn(-c2ccccn2)c2c1[C@H](c1ccccc1)N1c3ccccc3NC(=O)C1=N2 ZINC000002260988 132250802 /nfs/dbraw/zinc/25/08/02/132250802.db2.gz SEVATUANDXGNGN-NRFANRHFSA-N 0 0 406.449 4.817 50 0 HJAARN O=C(c1cc2c(s1)c1ccccc1oc2=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000002461372 132254945 /nfs/dbraw/zinc/25/49/45/132254945.db2.gz FRLPSXFQNUDECO-UHFFFAOYSA-N 0 0 424.909 4.624 50 0 HJAARN O=C(Cc1c(F)cccc1Cl)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000002621088 132255971 /nfs/dbraw/zinc/25/59/71/132255971.db2.gz XNYWTMYKAHQOQD-UHFFFAOYSA-N 0 0 416.802 4.516 50 0 HJAARN Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CC(=O)N1CCCc2ccccc21 ZINC000002830051 132258141 /nfs/dbraw/zinc/25/81/41/132258141.db2.gz WZFFOKFDYASYFS-UHFFFAOYSA-N 0 0 400.400 4.674 50 0 HJAARN Cc1ccc(C(=O)CCC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000002910410 132259436 /nfs/dbraw/zinc/25/94/36/132259436.db2.gz NTFLALUIHUASRS-UHFFFAOYSA-N 0 0 405.325 4.614 50 0 HJAARN CCOc1ccccc1NC(=O)c1sc2nc(C)nc(N3CCCCC3)c2c1C ZINC000002924136 132259741 /nfs/dbraw/zinc/25/97/41/132259741.db2.gz JMZLTLDMIZLCBN-UHFFFAOYSA-N 0 0 410.543 4.949 50 0 HJAARN Cc1cccc(/C=C2/Oc3ccccc3N(CC(=O)NCCC3=CCCCC3)C2=O)c1 ZINC000003061546 132262456 /nfs/dbraw/zinc/26/24/56/132262456.db2.gz QBVUEDUCNKJASP-JJIBRWJFSA-N 0 0 416.521 4.768 50 0 HJAARN Cc1cccc2c(C)cc(SCC(=O)N3c4ccccc4NC(=O)C3(C)C)nc12 ZINC000003432295 132266069 /nfs/dbraw/zinc/26/60/69/132266069.db2.gz QUUVZVHNLPARDX-UHFFFAOYSA-N 0 0 405.523 4.708 50 0 HJAARN COc1ccccc1N1CCN(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC1 ZINC000004151099 132272299 /nfs/dbraw/zinc/27/22/99/132272299.db2.gz FXPMPLOCTNNVFP-DEOSSOPVSA-N 0 0 418.562 4.877 50 0 HJAARN Cc1ccc(C)c(N2CCN(C(=O)c3cc4c(s3)c3ccccc3oc4=O)CC2)c1 ZINC000004192665 132272916 /nfs/dbraw/zinc/27/29/16/132272916.db2.gz YBLZOIBFAKSMIF-UHFFFAOYSA-N 0 0 418.518 4.587 50 0 HJAARN O=C(Nc1cc(F)ccc1F)N1CCN(c2ccnc3cc(Cl)ccc32)CC1 ZINC000004324524 132275358 /nfs/dbraw/zinc/27/53/58/132275358.db2.gz WQNXDPSFRDRMAE-UHFFFAOYSA-N 0 0 402.832 4.521 50 0 HJAARN Cc1sc2ncnc(N3CCN(c4ccccn4)CC3)c2c1-c1ccc(F)cc1 ZINC000004746988 132287058 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401.260 4.736 50 0 HJAARN COc1ccc(C)cc1NC(=O)N1CCC(n2c(CC(C)C)nc3cccnc32)CC1 ZINC000032950214 523830259 /nfs/dbraw/zinc/83/02/59/523830259.db2.gz GOUUDBUHIMIDJQ-UHFFFAOYSA-N 0 0 421.545 4.816 50 0 HJAARN CCc1ccc(-c2csc(NC(=O)CSc3nnc(C(C)(C)C)o3)n2)cc1 ZINC000042568803 523858161 /nfs/dbraw/zinc/85/81/61/523858161.db2.gz YVNOKRQTLDRKOF-UHFFFAOYSA-N 0 0 402.545 4.784 50 0 HJAARN COc1ccc(C2=NC3(CCN(C(=O)Nc4cccc(C)c4)CC3)N=C2SC)cc1 ZINC000020578367 523873033 /nfs/dbraw/zinc/87/30/33/523873033.db2.gz GNTIGKYNPRYXRX-UHFFFAOYSA-N 0 0 422.554 4.592 50 0 HJAARN CC[C@H](C)Nc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 ZINC000020391326 524006704 /nfs/dbraw/zinc/00/67/04/524006704.db2.gz QOTJUZCVTXAPLS-ZDUSSCGKSA-N 0 0 411.575 4.901 50 0 HJAARN CCc1ccc2ncc3c(sc(C(=O)NC[C@H](C)O)c3-c3ccc(F)cc3)c2c1 ZINC000045943819 524061027 /nfs/dbraw/zinc/06/10/27/524061027.db2.gz FIBQMAWGXGIYKJ-ZDUSSCGKSA-N 0 0 408.498 4.929 50 0 HJAARN CCc1cccc(C)c1NC(=O)C1CCN(c2nc(C)nc3oc(C)c(C)c32)CC1 ZINC000032960146 524062323 /nfs/dbraw/zinc/06/23/23/524062323.db2.gz WMUGGFXATVCEMW-UHFFFAOYSA-N 0 0 406.530 4.874 50 0 HJAARN CNC(=O)CSc1ncc(-c2ccc(C)cc2)n1-c1ccc(OC(F)(F)F)cc1 ZINC000044088016 524075338 /nfs/dbraw/zinc/07/53/38/524075338.db2.gz QRFACCXSDPGBGJ-UHFFFAOYSA-N 0 0 421.444 4.584 50 0 HJAARN Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)C=Cc4ccco4)cc3)nc2c1 ZINC000001180545 524086493 /nfs/dbraw/zinc/08/64/93/524086493.db2.gz CFXKTEJPIKIYLQ-PKNBQFBNSA-N 0 0 403.463 4.923 50 0 HJAARN Cc1ccc(C)c(Cn2cc(C(=O)c3cccc(F)c3)c(=O)c3ccc(C)nc32)c1 ZINC000045922751 524113769 /nfs/dbraw/zinc/11/37/69/524113769.db2.gz BIXLZTOJQUTRAL-UHFFFAOYSA-N 0 0 400.453 4.740 50 0 HJAARN COc1ccc(C[C@@H](Cc2ccc3c(c2)OCO3)NC(=O)c2ccc(Cl)cc2)cc1 ZINC000032949223 524137751 /nfs/dbraw/zinc/13/77/51/524137751.db2.gz YEBCZNYQWDUINK-FQEVSTJZSA-N 0 0 423.896 4.661 50 0 biogenic HJAARN Cc1cccc(-n2ncc3c2NC(=O)C[C@@]32c3ccccc3N(CC(C)C)C2=O)c1C ZINC000032090879 524147891 /nfs/dbraw/zinc/14/78/91/524147891.db2.gz QHZVYTAUJPFNBW-RUZDIDTESA-N 0 0 414.509 4.770 50 0 HJAARN COc1ccc(Cc2nnc(Sc3ncnc4sc5c(c43)CC[C@@H](C)C5)o2)cc1 ZINC000032857616 524168876 /nfs/dbraw/zinc/16/88/76/524168876.db2.gz AHFFYRTUDBKKLR-GFCCVEGCSA-N 0 0 424.551 4.950 50 0 HJAARN C[C@H](CCc1ccccc1)NC(=O)CC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000032974442 524241014 /nfs/dbraw/zinc/24/10/14/524241014.db2.gz KUIGYSUIZRKBKW-GOSISDBHSA-N 0 0 412.961 4.720 50 0 HJAARN COc1cccc2cc(C(=O)NC[C@@](C)(O)c3ccc(-c4ccccc4)cc3)oc21 ZINC000077184178 524259067 /nfs/dbraw/zinc/25/90/67/524259067.db2.gz QWDSFOCYXNLKKT-RUZDIDTESA-N 0 0 401.462 4.746 50 0 HJAARN COc1ccccc1-c1cc(C[S@@](=O)Cc2coc(-c3ccc(C)cc3)n2)on1 ZINC000032801526 524267370 /nfs/dbraw/zinc/26/73/70/524267370.db2.gz UYCZNAJBLDJULB-GDLZYMKVSA-N 0 0 408.479 4.763 50 0 HJAARN C[C@@H](CCC(=O)NCCO)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253531525 524441064 /nfs/dbraw/zinc/44/10/64/524441064.db2.gz HENFUZBSUMHZKR-NICBWUMXSA-N 0 0 419.650 4.531 50 0 HJAARN COc1ccc(NC(=O)CSc2n[nH]c(-c3cc(Cl)ccc3Cl)n2)cc1 ZINC000032957646 524508576 /nfs/dbraw/zinc/50/85/76/524508576.db2.gz AJTPDKSZNORWJQ-UHFFFAOYSA-N 0 0 409.298 4.518 50 0 HJAARN Cc1cccc(N2CCN(C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)CC2)c1C ZINC000000831800 524548812 /nfs/dbraw/zinc/54/88/12/524548812.db2.gz CLKHIQFJSIIVNQ-INIZCTEOSA-N 0 0 407.341 4.726 50 0 HJAARN Cc1cccc(N2CCN(c3ncnc4onc(-c5ccc(Cl)cc5)c43)CC2)c1C ZINC000020329978 524561893 /nfs/dbraw/zinc/56/18/93/524561893.db2.gz PXPYJEPYMSVIAM-UHFFFAOYSA-N 0 0 419.916 4.882 50 0 HJAARN COc1ccc(NC(=O)[C@H](Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1 ZINC000032850998 524610992 /nfs/dbraw/zinc/61/09/92/524610992.db2.gz RRKQABRAPFWDJJ-XMMPIXPASA-N 0 0 415.493 4.614 50 0 HJAARN COc1ccccc1NC(=O)NCCn1c2ccccc2nc1-c1ccc(C)cc1 ZINC000032950826 524615578 /nfs/dbraw/zinc/61/55/78/524615578.db2.gz UTGQFUASWKIHJD-UHFFFAOYSA-N 0 0 400.482 4.842 50 0 HJAARN COc1ccc(NC(=O)c2sc(N(C(C)=O)C3CCCC3)nc2C)cc1Cl ZINC000044901124 524661493 /nfs/dbraw/zinc/66/14/93/524661493.db2.gz VUVRGPVGKCNTCQ-UHFFFAOYSA-N 0 0 407.923 4.661 50 0 HJAARN Cc1cccc(NC(=O)c2nnc(CCC(=O)Nc3cccc(Cl)c3C)s2)c1 ZINC000040451210 524665908 /nfs/dbraw/zinc/66/59/08/524665908.db2.gz AIXTYSGUHNDFIU-UHFFFAOYSA-N 0 0 414.918 4.632 50 0 HJAARN Cc1cccc(OCC(=O)Nc2ccc3nc(NC(=O)c4ccccc4)sc3c2)c1 ZINC000032961100 524722172 /nfs/dbraw/zinc/72/21/72/524722172.db2.gz JLVMNAKFUFJPEF-UHFFFAOYSA-N 0 0 417.490 4.875 50 0 HJAARN Cc1ccc(Cn2ncc3c2NC(=O)C[C@@]32C(=O)Nc3ccc(C(C)C)cc32)cc1 ZINC000032094884 524775083 /nfs/dbraw/zinc/77/50/83/524775083.db2.gz FULVCMCMTCSIFG-DEOSSOPVSA-N 0 0 400.482 4.593 50 0 HJAARN COc1ccccc1[C@H](NC(=O)N[C@H](C)c1ccc(C(C)C)cc1)c1nccn1C ZINC000032802524 524795053 /nfs/dbraw/zinc/79/50/53/524795053.db2.gz CTZCARFWINPMPN-VGSWGCGISA-N 0 0 406.530 4.702 50 0 HJAARN Cc1ccc(NC(=O)CSCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000032779146 525074237 /nfs/dbraw/zinc/07/42/37/525074237.db2.gz IQVJWVZPXNFHSK-UHFFFAOYSA-N 0 0 407.417 4.936 50 0 HJAARN COc1ccc([C@@H]2CCCN2C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 ZINC000043398482 525246179 /nfs/dbraw/zinc/24/61/79/525246179.db2.gz JTXQSPGKLCSBHY-FQEVSTJZSA-N 0 0 415.921 4.554 50 0 HJAARN C[C@@H](NC(=O)c1cc2ccccc2oc1=O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000032925171 525316533 /nfs/dbraw/zinc/31/65/33/525316533.db2.gz KAFNBVOOSSNGAW-MRXNPFEDSA-N 0 0 412.445 4.536 50 0 HJAARN Cc1ccccc1SCC(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000032930118 525340794 /nfs/dbraw/zinc/34/07/94/525340794.db2.gz HDMDDXHIUKGOLI-UHFFFAOYSA-N 0 0 412.536 4.527 50 0 HJAARN COc1ccc([C@H](CC(=O)NC2CCCCCC2)N2Cc3ccccc3C2=O)cc1 ZINC000020560590 525344516 /nfs/dbraw/zinc/34/45/16/525344516.db2.gz VEHYLLCWWUAZOC-QHCPKHFHSA-N 0 0 406.526 4.621 50 0 HJAARN CC(=O)c1ccc(N2CCN(C(=O)c3csc(C)c3-c3ccccc3)CC2)cc1 ZINC000001051979 534851080 /nfs/dbraw/zinc/85/10/80/534851080.db2.gz FHNNJNRONVHFLF-UHFFFAOYSA-N 0 0 404.535 4.889 50 0 HJAARN COc1ccc([C@H]2C(c3ccccc3)C(=O)C(=O)N2CCc2ccccc2)cc1OC ZINC000045928035 525391727 /nfs/dbraw/zinc/39/17/27/525391727.db2.gz YDRSENBTBYCUDW-DEOSSOPVSA-N 0 0 415.489 4.799 50 0 HJAARN COc1ccc([C@H]2CCCN2C(=O)c2cc(F)ccc2Br)c(OC)c1 ZINC000032747575 525412396 /nfs/dbraw/zinc/41/23/96/525412396.db2.gz SFWFCPXKATUFGB-QGZVFWFLSA-N 0 0 408.267 4.583 50 0 HJAARN Cc1c(C(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)cnn1-c1ccc(F)cc1 ZINC000032786733 525636825 /nfs/dbraw/zinc/63/68/25/525636825.db2.gz RQDDCZPRLADAQA-LBPRGKRZSA-N 0 0 413.403 4.556 50 0 HJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)[C@H](C)n2ccnc2)cc1C ZINC000044952572 525841441 /nfs/dbraw/zinc/84/14/41/525841441.db2.gz PKPSVAMFLSGJIO-FQEVSTJZSA-N 0 0 413.525 4.572 50 0 HJAARN Cc1ccc(-c2noc(-c3ccc(NC(=O)COc4ccc(F)cc4)cc3)n2)cc1 ZINC000032623161 525869282 /nfs/dbraw/zinc/86/92/82/525869282.db2.gz ARQSJQXGGLCWQD-UHFFFAOYSA-N 0 0 403.413 4.869 50 0 HJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000000996999 525926392 /nfs/dbraw/zinc/92/63/92/525926392.db2.gz RUMDUZKXHKJOMD-CYBMUJFWSA-N 0 0 413.732 4.763 50 0 HJAARN C[C@@H](Oc1ccc(F)cc1)c1nnc(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)o1 ZINC000032945460 525932227 /nfs/dbraw/zinc/93/22/27/525932227.db2.gz BQHUXEGZSSFIQI-MNOVXSKESA-N 0 0 422.869 4.516 50 0 HJAARN Cc1nn(CC(=O)N[C@H](C)c2ccccc2)c2nc(C3CC3)cc(C(F)(F)F)c12 ZINC000020602444 526268012 /nfs/dbraw/zinc/26/80/12/526268012.db2.gz WINVLRMNTBEJAL-GFCCVEGCSA-N 0 0 402.420 4.513 50 0 HJAARN Cc1coc2c1cc1c(C)c(CC(=O)Nc3nnc(C(C)C)s3)c(=O)oc1c2C ZINC000040284506 526292071 /nfs/dbraw/zinc/29/20/71/526292071.db2.gz IRLQNCCRFBKYKU-UHFFFAOYSA-N 0 0 411.483 4.621 50 0 HJAARN O=C(CC[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1)NCc1ccccc1F ZINC000020538579 526554779 /nfs/dbraw/zinc/55/47/79/526554779.db2.gz SLFMILOSCVRBIW-HNNXBMFYSA-N 0 0 409.427 4.553 50 0 HJAARN O=C(c1cc(Br)ccc1F)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000032505596 526600072 /nfs/dbraw/zinc/60/00/72/526600072.db2.gz QVAKXPIKONPPMX-UHFFFAOYSA-N 0 0 420.278 4.902 50 0 HJAARN O=C(CCn1ccc2c1cccc2Br)NCCc1c[nH]c2ccccc12 ZINC000040310206 526672279 /nfs/dbraw/zinc/67/22/79/526672279.db2.gz IMMYSKDVVQXVME-UHFFFAOYSA-N 0 0 410.315 4.634 50 0 biogenic HJAARN O=C(c1ccc(Cl)cc1)N1CCCC[C@H](Sc2ncnc3ccccc32)C1=O ZINC000008157335 526675161 /nfs/dbraw/zinc/67/51/61/526675161.db2.gz RZRDBOLVDCKWBU-SFHVURJKSA-N 0 0 411.914 4.597 50 0 HJAARN O=C(c1ccc(Cl)cc1Cl)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032769019 526678520 /nfs/dbraw/zinc/67/85/20/526678520.db2.gz YRHGWIIFJPSPPY-UHFFFAOYSA-N 0 0 418.246 4.760 50 0 HJAARN O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1cccc2ccccc21 ZINC000001410973 526704515 /nfs/dbraw/zinc/70/45/15/526704515.db2.gz DDLSTQPGVBWCFJ-UHFFFAOYSA-N 0 0 416.502 4.674 50 0 HJAARN O=C(c1ccc(OCC(F)(F)F)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000032354442 526708441 /nfs/dbraw/zinc/70/84/41/526708441.db2.gz XPSSJZKMPFVVRF-UHFFFAOYSA-N 0 0 403.404 4.524 50 0 HJAARN O=C(NCc1ccccc1COCc1ccccc1)c1ccc(C(F)(F)F)nc1 ZINC000032925125 526745723 /nfs/dbraw/zinc/74/57/23/526745723.db2.gz AAZLBDTYUWDATO-UHFFFAOYSA-N 0 0 400.400 4.747 50 0 HJAARN Cc1oc2nc(C)nc(N3CCC[C@H](C(=O)Nc4ccc(C)cc4Cl)C3)c2c1C ZINC000032960288 526790129 /nfs/dbraw/zinc/79/01/29/526790129.db2.gz ZJNGXORMEUKJHD-INIZCTEOSA-N 0 0 412.921 4.965 50 0 HJAARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC000030252956 526842764 /nfs/dbraw/zinc/84/27/64/526842764.db2.gz HLSYTNVIRMLIAI-UHFFFAOYSA-N 0 0 404.209 4.644 50 0 HJAARN Cc1sc2ncnc(N3CCC(C(=O)Nc4cnc5ccccc5c4)CC3)c2c1C ZINC000032900709 526899063 /nfs/dbraw/zinc/89/90/63/526899063.db2.gz AZIKTZPKEAOMPF-UHFFFAOYSA-N 0 0 417.538 4.711 50 0 HJAARN O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)NCc1cccc(Cl)c1 ZINC000032578957 526944980 /nfs/dbraw/zinc/94/49/80/526944980.db2.gz YKOAMJRJKDMAJF-UHFFFAOYSA-N 0 0 419.868 4.752 50 0 HJAARN O=C(COc1ccc(F)cc1)Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1 ZINC000032623015 526959960 /nfs/dbraw/zinc/95/99/60/526959960.db2.gz OKYAQLAPFBGHDV-UHFFFAOYSA-N 0 0 407.376 4.699 50 0 HJAARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000032760264 527141429 /nfs/dbraw/zinc/14/14/29/527141429.db2.gz JNKPPDAPXYHTFJ-NRFANRHFSA-N 0 0 411.461 4.738 50 0 HJAARN O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1cccc(Br)c1 ZINC000036246233 527287767 /nfs/dbraw/zinc/28/77/67/527287767.db2.gz NDVVTAGBIFMTDK-UHFFFAOYSA-N 0 0 402.313 4.845 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000041191194 527329493 /nfs/dbraw/zinc/32/94/93/527329493.db2.gz VVKQNGIKYUFFRR-AWEZNQCLSA-N 0 0 414.836 4.651 50 0 HJAARN O=c1c2ccc(Cl)cc2nc2n1CC/C2=C\c1ccc(OCc2ccccn2)cc1 ZINC000044025431 527463223 /nfs/dbraw/zinc/46/32/23/527463223.db2.gz CDYRGHYXYYNGLG-GHRIWEEISA-N 0 0 415.880 4.968 50 0 HJAARN O=c1ccc(-c2nc(-c3ccsc3)no2)cn1Cc1ccccc1C(F)(F)F ZINC000077200452 527485816 /nfs/dbraw/zinc/48/58/16/527485816.db2.gz BIQOKQZQKWMBSJ-UHFFFAOYSA-N 0 0 403.385 4.694 50 0 HJAARN OCCn1c2cc(Cl)ccc2nc1COc1ccc(Br)cc1Cl ZINC000009513252 527575623 /nfs/dbraw/zinc/57/56/23/527575623.db2.gz SDUNUBUMCDNOAI-UHFFFAOYSA-N 0 0 416.102 4.677 50 0 HJAARN O=C(NCC1CCN(C(=O)Oc2ccccc2)CC1)C1(c2cccs2)CCCC1 ZINC000043983605 527608236 /nfs/dbraw/zinc/60/82/36/527608236.db2.gz TVMCHYOELQJJEE-UHFFFAOYSA-N 0 0 412.555 4.587 50 0 HJAARN Cc1nn(C)c2nc(O[C@H](C)C(=O)Nc3ccc(C)c(C)c3)cc(-c3ccccc3)c12 ZINC000045992052 527684616 /nfs/dbraw/zinc/68/46/16/527684616.db2.gz LAOXTILHGCPOAF-GOSISDBHSA-N 0 0 414.509 4.967 50 0 HJAARN CCCCC(=O)Nc1c2ccccc2oc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000006780278 534953223 /nfs/dbraw/zinc/95/32/23/534953223.db2.gz HAXZCKUZXKDZBW-UHFFFAOYSA-N 0 0 405.498 4.524 50 0 HJAARN CCCCCC(=O)N1CCN(c2nc(C)nc(C)c2Cc2ccccc2Cl)CC1 ZINC000006739448 534960625 /nfs/dbraw/zinc/96/06/25/534960625.db2.gz GNOCKSBOBKJMER-UHFFFAOYSA-N 0 0 414.981 4.567 50 0 HJAARN CC(C)Oc1cccc(NC(=O)c2ccc3c(c2)-c2ccccc2S(=O)(=O)N3C)c1 ZINC000033088705 535050545 /nfs/dbraw/zinc/05/05/45/535050545.db2.gz ZOGYOFGKNJJHRE-UHFFFAOYSA-N 0 0 422.506 4.532 50 0 HJAARN CCCCc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(N3CCOCC3)n2)cc1 ZINC000009708896 535094077 /nfs/dbraw/zinc/09/40/77/535094077.db2.gz VVZMWAIPVQESOW-UHFFFAOYSA-N 0 0 418.545 4.846 50 0 HJAARN CC(C)(C)c1ccccc1NC(=O)c1cc(N2CCCCS2(=O)=O)ccc1Cl ZINC000012195683 535128933 /nfs/dbraw/zinc/12/89/33/535128933.db2.gz AIUVWWRBZKULLK-UHFFFAOYSA-N 0 0 420.962 4.820 50 0 HJAARN CCOc1ccc(CC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1 ZINC000017307646 535713525 /nfs/dbraw/zinc/71/35/25/535713525.db2.gz NTILGJHDGVDBFR-UHFFFAOYSA-N 0 0 414.505 4.860 50 0 HJAARN CCc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCCCC2)cc1 ZINC000006721226 536187103 /nfs/dbraw/zinc/18/71/03/536187103.db2.gz HCYHACCZTIURKD-UHFFFAOYSA-N 0 0 406.555 4.913 50 0 HJAARN COc1ccc(N2CCCN(Cc3ccccc3)C2=O)c(NC(=O)CC(C)(C)C)c1 ZINC000034739693 536671656 /nfs/dbraw/zinc/67/16/56/536671656.db2.gz NCJJNIJVIAMAHO-UHFFFAOYSA-N 0 0 409.530 4.902 50 0 HJAARN COc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCC(C)CC2)cc1 ZINC000006721234 536775383 /nfs/dbraw/zinc/77/53/83/536775383.db2.gz ZFJFHRNBWVLHDQ-UHFFFAOYSA-N 0 0 422.554 4.606 50 0 aggregator HJAARN COc1ccc([C@@H]2NC(=O)N(c3ccccc3)C(C)=C2C(=O)Nc2ccccc2)cc1 ZINC000003273113 536894228 /nfs/dbraw/zinc/89/42/28/536894228.db2.gz NOALKSYJQCKHRI-QHCPKHFHSA-N 0 0 413.477 4.879 50 0 HJAARN COc1cc2ncnc(Nc3ccc(NC(=O)c4ccccc4)cc3)c2cc1OC ZINC000000590935 557018674 /nfs/dbraw/zinc/01/86/74/557018674.db2.gz IMYVCWQAHSYYOO-UHFFFAOYSA-N 0 0 400.438 4.643 50 0 in-vivo HJAARN O=C(Nc1ccc(Br)cc1)c1ccc(CSc2ncccn2)cc1 ZINC000000624780 557021533 /nfs/dbraw/zinc/02/15/33/557021533.db2.gz QBKHEUILRDSIMR-UHFFFAOYSA-N 0 0 400.301 4.784 50 0 HJAARN COc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)c2ccccc2)cc1 ZINC000000625386 557021906 /nfs/dbraw/zinc/02/19/06/557021906.db2.gz ZXPXVZVJWYJBDS-UHFFFAOYSA-N 0 0 415.518 4.842 50 0 HJAARN Brc1ccc(-c2csc3ncnc(-n4nnc5ccccc54)c23)cc1 ZINC000000628373 557024323 /nfs/dbraw/zinc/02/43/23/557024323.db2.gz LVVAKSBUEOTAAX-UHFFFAOYSA-N 0 0 408.284 4.855 50 0 aggregator HJAARN COc1cccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(C)cc2)N2NC=NC2=N3)c1 ZINC000000635848 557029579 /nfs/dbraw/zinc/02/95/79/557029579.db2.gz TUPLZYHCEXMIBU-RPBOFIJWSA-N 0 0 422.488 4.808 50 0 HJAARN COc1cccc(NC(=O)N(C(=O)Nc2cccc(OC)c2)c2cccc(OC)c2)c1 ZINC000000639428 557031432 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557184627 /nfs/dbraw/zinc/18/46/27/557184627.db2.gz AKEDDHYXTFROMP-UHFFFAOYSA-N 0 0 412.584 4.596 50 0 HJAARN COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccc(OC)cc1OC ZINC000001113778 557185682 /nfs/dbraw/zinc/18/56/82/557185682.db2.gz AFRHGJWLCOJXIO-UHFFFAOYSA-N 0 0 411.479 4.780 50 0 HJAARN Cc1ccc(NC(=O)COc2ccc(C(=S)N3CCCCC3)cc2Cl)cc1 ZINC000001117521 557188378 /nfs/dbraw/zinc/18/83/78/557188378.db2.gz AITWDJUCWQQZNU-UHFFFAOYSA-N 0 0 402.947 4.827 50 0 HJAARN CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2cccc(Cl)c2Cl)cc1 ZINC000001118087 557188742 /nfs/dbraw/zinc/18/87/42/557188742.db2.gz FLHOTSGWRQAWRT-UHFFFAOYSA-N 0 0 410.326 4.715 50 0 HJAARN CC(C)c1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccs2)s1 ZINC000001119549 557189798 /nfs/dbraw/zinc/18/97/98/557189798.db2.gz LXKDBBHZEAQRFY-OAHLLOKOSA-N 0 0 409.492 4.579 50 0 HJAARN Cc1cc(C)c(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000001119748 557189832 /nfs/dbraw/zinc/18/98/32/557189832.db2.gz GJJXNROCFJQUKX-UHFFFAOYSA-N 0 0 408.523 4.689 50 0 HJAARN Cc1ccc(S(=O)(=O)Cc2cccc(C(=O)OCc3ccccc3Cl)c2)cc1 ZINC000001124123 557193725 /nfs/dbraw/zinc/19/37/25/557193725.db2.gz IZTDAXYJLXVSQV-UHFFFAOYSA-N 0 0 414.910 4.979 50 0 HJAARN Cc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3COc4ccccc4O3)cc2)cc1Cl ZINC000001126539 557195513 /nfs/dbraw/zinc/19/55/13/557195513.db2.gz PVLXSWGIHASWII-NRFANRHFSA-N 0 0 422.868 4.679 50 0 HJAARN CC(C)c1ccc(NC(=O)CSc2nnc([C@@H](C)Oc3ccccc3)n2C)cc1 ZINC000001127507 557196106 /nfs/dbraw/zinc/19/61/06/557196106.db2.gz SDQTWNLBUIJYIZ-MRXNPFEDSA-N 0 0 410.543 4.809 50 0 HJAARN COc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(OC(C)C)cc2)C1 ZINC000001128430 557196673 /nfs/dbraw/zinc/19/66/73/557196673.db2.gz VPOCXGKISWENCW-KRWDZBQOSA-N 0 0 424.541 4.772 50 0 HJAARN CCOC(=O)c1c2c(sc1NC(=S)Nc1ccccc1)CO[C@@H](C(C)C)C2 ZINC000001137331 557201976 /nfs/dbraw/zinc/20/19/76/557201976.db2.gz NKSCSIOCZPTFJQ-OAHLLOKOSA-N 0 0 404.557 4.831 50 0 HJAARN CCOC(=O)c1c2c(sc1NC(=S)Nc1ccccc1)CO[C@H](C(C)C)C2 ZINC000001137332 557202010 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/nfs/dbraw/zinc/23/05/18/557230518.db2.gz FXLVQDFQBKKLSA-UHFFFAOYSA-N 0 0 403.276 4.868 50 0 HJAARN CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)c2ccccc2Br)c1 ZINC000001180895 557230929 /nfs/dbraw/zinc/23/09/29/557230929.db2.gz VCLYOEKPASUMHY-UHFFFAOYSA-N 0 0 407.333 4.579 50 0 HJAARN CCOc1cc(/C=C2\SC(=O)N(CC)C2=O)ccc1OCc1ccc(F)cc1 ZINC000001182776 557231783 /nfs/dbraw/zinc/23/17/83/557231783.db2.gz KMKRVKCKCKAJQZ-UNOMPAQXSA-N 0 0 401.459 4.860 50 0 HJAARN O=C(NCc1ccco1)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1Cl ZINC000001205142 557240669 /nfs/dbraw/zinc/24/06/69/557240669.db2.gz YNJUYEJATAQHQW-CILZVWTGSA-N 0 0 406.869 4.577 50 0 HJAARN COc1ccc(NC(=O)c2c(NC(=O)c3ccccc3F)sc3c2CCC3)cc1 ZINC000001212532 557243926 /nfs/dbraw/zinc/24/39/26/557243926.db2.gz SHPREHUAFZWHTE-UHFFFAOYSA-N 0 0 410.470 4.889 50 0 HJAARN O=C(NCCc1ccccc1)c1c(NC(=O)c2ccccc2F)sc2c1CCCC2 ZINC000001212955 557244246 /nfs/dbraw/zinc/24/42/46/557244246.db2.gz GVFJELFDRIVCKJ-UHFFFAOYSA-N 0 0 422.525 4.991 50 0 HJAARN Cc1ccc(S(=O)(=O)Nc2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000001212860 557244342 /nfs/dbraw/zinc/24/43/42/557244342.db2.gz HFFABKTXCSORHJ-UHFFFAOYSA-N 0 0 401.871 4.668 50 0 HJAARN COc1cc(C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc(OC)c1OC ZINC000001214014 557244831 /nfs/dbraw/zinc/24/48/31/557244831.db2.gz JCWQWSYKBXWERF-UHFFFAOYSA-N 0 0 418.902 4.665 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(Cl)cc1 ZINC000001218424 557247518 /nfs/dbraw/zinc/24/75/18/557247518.db2.gz IXZGFSQZDQTFEP-QGZVFWFLSA-N 0 0 406.338 4.733 50 0 HJAARN CCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C)c4ccccc4C3c3ccccc32)cc1 ZINC000001225936 557248888 /nfs/dbraw/zinc/24/88/88/557248888.db2.gz VMTHSBSXUYEGFL-ZOVQAKDCSA-N 0 0 409.485 4.656 50 0 HJAARN COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nc3ccccc3s2)cc1 ZINC000001268922 557253208 /nfs/dbraw/zinc/25/32/08/557253208.db2.gz FHOPUACRETXHKU-UHFFFAOYSA-N 0 0 403.463 4.810 50 0 HJAARN COc1ccc(CSc2nnc(SCC(=O)c3ccc(F)cc3)s2)cc1 ZINC000001307915 557254548 /nfs/dbraw/zinc/25/45/48/557254548.db2.gz WPQOCJMQVRMTCN-UHFFFAOYSA-N 0 0 406.529 4.953 50 0 HJAARN Cc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3cc(C)ccc3C)C2=O)s1 ZINC000001320436 557255239 /nfs/dbraw/zinc/25/52/39/557255239.db2.gz IDTDUPFIHKXHIP-XMMPIXPASA-N 0 0 405.519 4.681 50 0 HJAARN Cc1cc2oc(=O)cc(CNc3cc4c(cc3Cl)NC(=O)CO4)c2cc1C(C)C ZINC000071887070 557258734 /nfs/dbraw/zinc/25/87/34/557258734.db2.gz MBMORQBMEJBNNV-UHFFFAOYSA-N 0 0 412.873 4.821 50 0 HJAARN O=S(=O)(c1ccc(-c2ccc(Br)cc2)cc1)N1CCc2ccccc21 ZINC000001428420 557262000 /nfs/dbraw/zinc/26/20/00/557262000.db2.gz UXFNFLCPTMMETF-UHFFFAOYSA-N 0 0 414.324 4.868 50 0 HJAARN Cc1cccc(N2C(=O)[C@@H](CC(=O)Nc3cccc(F)c3)N(C3CCCCC3)C2=O)c1 ZINC000001443563 557265132 /nfs/dbraw/zinc/26/51/32/557265132.db2.gz ADCCRSWYOSDTBO-OAQYLSRUSA-N 0 0 423.488 4.633 50 0 HJAARN O=C(Nc1cccc(Cl)c1)Nc1cc2c(cc1[C@H](O)c1ccccc1)OCCO2 ZINC000001443704 557265188 /nfs/dbraw/zinc/26/51/88/557265188.db2.gz HSWFGWKFYADUPF-OAQYLSRUSA-N 0 0 410.857 4.837 50 0 HJAARN O=C(COC(=O)CSc1nc2ccccc2s1)Nc1cccc2ccccc21 ZINC000001446264 557266366 /nfs/dbraw/zinc/26/63/66/557266366.db2.gz CCLSQWSXVIHYHN-UHFFFAOYSA-N 0 0 408.504 4.724 50 0 HJAARN CCc1cc2c(C)cc(=O)oc2cc1OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000001748863 557284762 /nfs/dbraw/zinc/28/47/62/557284762.db2.gz WQFSOUUAVJYQDD-KRWDZBQOSA-N 0 0 417.502 4.509 50 0 HJAARN CCCc1ccc(OCC(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1 ZINC000001749325 557284833 /nfs/dbraw/zinc/28/48/33/557284833.db2.gz NACFZTKIMQGZIG-UHFFFAOYSA-N 0 0 401.528 4.774 50 0 HJAARN COC(=O)c1c(NC(=O)CCCOc2ccc(C)cc2C)sc2c1CCCC2 ZINC000001914005 557296213 /nfs/dbraw/zinc/29/62/13/557296213.db2.gz ZQXZHXZSAWWPGX-UHFFFAOYSA-N 0 0 401.528 4.828 50 0 HJAARN C[C@@H](Oc1ccc(C(=O)NC2CCCCC2)cc1)C(=O)OCc1ccccc1Cl ZINC000001913221 557296351 /nfs/dbraw/zinc/29/63/51/557296351.db2.gz KOOGWGXQRKFYDE-MRXNPFEDSA-N 0 0 415.917 4.913 50 0 HJAARN CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2ccccc2)sc2c1CC[C@H](C)C2 ZINC000002080075 557309383 /nfs/dbraw/zinc/30/93/83/557309383.db2.gz XPVQTZGUOLVFTK-WMLDXEAASA-N 0 0 401.528 4.846 50 0 HJAARN CCOc1ccc(C(NC(=O)c2ccc(C)cc2)NC(=O)c2ccc(C)cc2)cc1 ZINC000002172461 557321826 /nfs/dbraw/zinc/32/18/26/557321826.db2.gz DIROVECYUOOJJK-UHFFFAOYSA-N 0 0 402.494 4.561 50 0 HJAARN CCN(CC)C(=O)CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1 ZINC000002224840 557328542 /nfs/dbraw/zinc/32/85/42/557328542.db2.gz DYRPNJOZWSMIJD-UHFFFAOYSA-N 0 0 400.935 4.548 50 0 HJAARN CCCC[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)c2ccccc2C1=O ZINC000002254160 557331655 /nfs/dbraw/zinc/33/16/55/557331655.db2.gz YYLZFRBZPPIIQR-KRWDZBQOSA-N 0 0 405.281 4.787 50 0 HJAARN CCOc1ccc(C2=C(C)SC3=NNC(c4ccc(OC)c(OC)c4)=CN32)cc1 ZINC000002270765 557333328 /nfs/dbraw/zinc/33/33/28/557333328.db2.gz WLKIDPPKLAKQOV-UHFFFAOYSA-N 0 0 409.511 4.713 50 0 HJAARN Cc1ccc(-c2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CCN(C)C5)o2)cc1Cl ZINC000002273126 557333618 /nfs/dbraw/zinc/33/36/18/557333618.db2.gz DVKCMMXFPYHKNY-IBGZPJMESA-N 0 0 413.930 4.812 50 0 HJAARN CCCSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)CC[C@H](C)C3 ZINC000002299575 557335454 /nfs/dbraw/zinc/33/54/54/557335454.db2.gz NFOILSSLTCCIBJ-ZDUSSCGKSA-N 0 0 410.568 4.722 50 0 HJAARN COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccco1 ZINC000002375211 557341834 /nfs/dbraw/zinc/34/18/34/557341834.db2.gz PGEBDPOKVRXSJB-UHFFFAOYSA-N 0 0 409.492 4.692 50 0 HJAARN Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccccc2)n1 ZINC000002413023 557345776 /nfs/dbraw/zinc/34/57/76/557345776.db2.gz VCZCDVJLQANHGQ-KRWDZBQOSA-N 0 0 408.866 4.961 50 0 HJAARN COc1cccc(OC)c1-c1nn2c(nnc2-c2ccc(Cl)cc2Cl)s1 ZINC000002414591 557345835 /nfs/dbraw/zinc/34/58/35/557345835.db2.gz MWGLYKRCCVMBSB-UHFFFAOYSA-N 0 0 407.282 4.844 50 0 HJAARN CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccc(Cl)cc1Cl ZINC000002425372 557346662 /nfs/dbraw/zinc/34/66/62/557346662.db2.gz JQKAAVRNDCEVJQ-UHFFFAOYSA-N 0 0 421.353 4.680 50 0 HJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Cl)c1)N(c1nccs1)C3=O ZINC000002432419 557346932 /nfs/dbraw/zinc/34/69/32/557346932.db2.gz 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Cc1ccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCC3CC3)cc2)cc1 ZINC000034679775 557359739 /nfs/dbraw/zinc/35/97/39/557359739.db2.gz BCBCBAWLPSCJIJ-UHFFFAOYSA-N 0 0 412.533 4.911 50 0 HJAARN CN(Cc1ccccc1)C(=O)Cc1ccc(N(Cc2ccccc2)C(=O)C2CC2)cc1 ZINC000034679839 557360158 /nfs/dbraw/zinc/36/01/58/557360158.db2.gz RDWUKMWGLJUBPZ-UHFFFAOYSA-N 0 0 412.533 4.831 50 0 HJAARN Cc1cccc(NC(=S)NCC2CCN(C(=S)Nc3cccc(C)c3)CC2)c1 ZINC000002747782 557378514 /nfs/dbraw/zinc/37/85/14/557378514.db2.gz PDEGORKBTOPGRH-UHFFFAOYSA-N 0 0 412.628 4.699 50 0 HJAARN COC(=O)c1c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)sc2c1CCCCC2 ZINC000002752496 557379353 /nfs/dbraw/zinc/37/93/53/557379353.db2.gz FKRKKBXLMWKPQH-LBPRGKRZSA-N 0 0 407.919 4.863 50 0 HJAARN COc1cccc(OCc2ccc(C(=O)Nc3ccc(N(C)C(C)=O)cc3)cc2)c1 ZINC000002759861 557381013 /nfs/dbraw/zinc/38/10/13/557381013.db2.gz YGLDTWBGNTYKHG-UHFFFAOYSA-N 0 0 404.466 4.509 50 0 HJAARN Cc1cccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCC3CC3)cc2)c1 ZINC000034680092 557381665 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CC(C)NC(=O)c1csc(-c2ccc(OCc3cc(F)ccc3F)cc2F)n1 ZINC000034713551 557393343 /nfs/dbraw/zinc/39/33/43/557393343.db2.gz BQGFTHURRSYBEK-UHFFFAOYSA-N 0 0 406.429 4.945 50 0 HJAARN O=C(NC1CC1)c1csc(-c2ccc(OCc3cc(F)cc(F)c3)cc2F)n1 ZINC000034713525 557393427 /nfs/dbraw/zinc/39/34/27/557393427.db2.gz XOFJPOUGGUWYSV-UHFFFAOYSA-N 0 0 404.413 4.699 50 0 HJAARN CCCCN1C(=O)S/C(=C\c2cc(OC)c(OCC)cc2Br)C1=O ZINC000002815568 557394933 /nfs/dbraw/zinc/39/49/33/557394933.db2.gz HFAPMTMVOQPAAE-DHDCSXOGSA-N 0 0 414.321 4.693 50 0 HJAARN CCCSc1nnc2c(n1)O[C@H](c1ccc(C)s1)N(C(C)=O)c1ccccc1-2 ZINC000002823236 557396714 /nfs/dbraw/zinc/39/67/14/557396714.db2.gz UGWCAVURUATSPW-LJQANCHMSA-N 0 0 412.540 4.855 50 0 HJAARN COc1ccc(-c2nnc3c4cc(C)ccc4nc(N(C)Cc4ccccc4)n23)cc1 ZINC000034699789 557400408 /nfs/dbraw/zinc/40/04/08/557400408.db2.gz YWLDPCIPMXKPEK-UHFFFAOYSA-N 0 0 409.493 4.898 50 0 HJAARN Cc1sc2ncnc(SCC(=O)Nc3nsc(-c4ccccc4)n3)c2c1C ZINC000002845833 557402790 /nfs/dbraw/zinc/40/27/90/557402790.db2.gz 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COc1ccccc1N[C@H](NC(=O)c1cccc(Cl)c1)C(Cl)(Cl)Cl ZINC000003014957 557441473 /nfs/dbraw/zinc/44/14/73/557441473.db2.gz QSJUOVQOLOLZJQ-OAHLLOKOSA-N 0 0 408.112 4.887 50 0 HJAARN COc1ccccc1C(=O)Nc1ccccc1N1CCCN(Cc2ccccc2)C1=O ZINC000034734927 557442215 /nfs/dbraw/zinc/44/22/15/557442215.db2.gz XUTVDRBXBNBJJK-UHFFFAOYSA-N 0 0 415.493 4.780 50 0 HJAARN Cc1ccc(N2CCCN(Cc3ccc(F)c(F)c3)C2=O)c(NC(=O)C(C)C)c1 ZINC000034736157 557446416 /nfs/dbraw/zinc/44/64/16/557446416.db2.gz COEOKHSJKSIRGX-UHFFFAOYSA-N 0 0 401.457 4.700 50 0 HJAARN O=C(COc1ccc2c(c1)occ(-c1ccccc1)c2=O)NCc1ccc(Cl)cc1 ZINC000003227524 557460166 /nfs/dbraw/zinc/46/01/66/557460166.db2.gz FITNQNDNSWHSQV-UHFFFAOYSA-N 0 0 419.864 4.809 50 0 HJAARN Cc1ccc2c(c1)C(N1CCN(C(=O)Cc3ccccc3)CC1)=Nc1ccccc1O2 ZINC000034813582 557465582 /nfs/dbraw/zinc/46/55/82/557465582.db2.gz CZRQSUAJUYMWOC-UHFFFAOYSA-N 0 0 411.505 4.566 50 0 HJAARN Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2nc3ccccc3nc2Cl)cc1 ZINC000003267631 557465925 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O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1F)C1c3ccccc3C2(Cl)c2ccccc21 ZINC000004656510 557576679 /nfs/dbraw/zinc/57/66/79/557576679.db2.gz OYTYYCZEJMCWLT-CAZKKTPXSA-N 0 0 403.840 4.573 50 0 HJAARN Cc1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1NC(=O)[C@H](C)Oc1ccccc1 ZINC000004666216 557578563 /nfs/dbraw/zinc/57/85/63/557578563.db2.gz SVQJUIXIDYANDZ-OALUTQOASA-N 0 0 418.493 4.807 50 0 HJAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)/C(C)=C/c1ccccc1 ZINC000004679519 557580384 /nfs/dbraw/zinc/58/03/84/557580384.db2.gz NHBLKRJTNMUTDW-SAPNQHFASA-N 0 0 416.477 4.998 50 0 HJAARN Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 ZINC000004717872 557586358 /nfs/dbraw/zinc/58/63/58/557586358.db2.gz VBZXTWPKRISXPC-UHFFFAOYSA-N 0 0 411.461 4.858 50 0 HJAARN CSc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)cc1 ZINC000004723428 557586708 /nfs/dbraw/zinc/58/67/08/557586708.db2.gz FOTLNSXJWNQNAE-HXUWFJFHSA-N 0 0 405.527 4.544 50 0 HJAARN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc(O)c2)n2c(nc3ccccc32)N1 ZINC000004734799 557589045 /nfs/dbraw/zinc/58/90/45/557589045.db2.gz OIASCHIURAPUGF-JOCHJYFZSA-N 0 0 414.440 4.809 50 0 HJAARN CCCC1=Nc2nc3ccccc3n2[C@@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000004737142 557589451 /nfs/dbraw/zinc/58/94/51/557589451.db2.gz XRQQGEFNIUFGOG-QFIPXVFZSA-N 0 0 421.497 4.686 50 0 HJAARN Cc1cccc(OCC(=O)Nc2nc(SC34CC5CC(CC(C5)C3)C4)ns2)c1 ZINC000004744127 557591505 /nfs/dbraw/zinc/59/15/05/557591505.db2.gz ITSXROZJHWCYDO-UHFFFAOYSA-N 0 0 415.584 4.925 50 0 HJAARN COc1ccc(/C=C(/NC(=O)c2cccs2)c2nc3ccccc3[nH]2)cc1OC ZINC000004756209 557594236 /nfs/dbraw/zinc/59/42/36/557594236.db2.gz UBVFXYDKALKJJD-SFQUDFHCSA-N 0 0 405.479 4.570 50 0 HJAARN COc1ccc(-c2cc(C(F)(F)F)nc(NCCc3ccccc3)n2)cc1OC ZINC000004757774 557595049 /nfs/dbraw/zinc/59/50/49/557595049.db2.gz NGOBPCKJVHCMIK-UHFFFAOYSA-N 0 0 403.404 4.834 50 0 HJAARN COc1ccccc1-c1noc(CCCC(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000004810354 557600187 /nfs/dbraw/zinc/60/01/87/557600187.db2.gz WEEIKRUUIUEVPC-UHFFFAOYSA-N 0 0 405.376 4.725 50 0 HJAARN 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COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3ccc(C)s3)C2)cc1Cl ZINC000011949345 558302730 /nfs/dbraw/zinc/30/27/30/558302730.db2.gz ZHPHWYNQOJZHSL-OAHLLOKOSA-N 0 0 420.962 4.990 50 0 HJAARN Cc1cccc(OCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1C ZINC000019897175 558303754 /nfs/dbraw/zinc/30/37/54/558303754.db2.gz KPKMGRIRTSCYQU-UHFFFAOYSA-N 0 0 414.549 4.616 50 0 HJAARN CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)c1ccc(Cl)cc1 ZINC000019897517 558303946 /nfs/dbraw/zinc/30/39/46/558303946.db2.gz HADPJBSVPSSICF-UHFFFAOYSA-N 0 0 400.935 4.847 50 0 HJAARN CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(C(=O)[C@@H]2CC23CCC3)CC1 ZINC000012004854 558308947 /nfs/dbraw/zinc/30/89/47/558308947.db2.gz OSKHWKUXMWZVHE-SFHVURJKSA-N 0 0 423.475 4.610 50 0 HJAARN Cc1nnsc1C(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1Cl ZINC000012005661 558309236 /nfs/dbraw/zinc/30/92/36/558309236.db2.gz FGTVCRSJQFLETN-LJQANCHMSA-N 0 0 408.914 4.769 50 0 HJAARN CN(C[C@H]1Cc2ccccc2O1)C(=O)c1ccc2oc(CCc3ccccc3)nc2c1 ZINC000012057036 558316386 /nfs/dbraw/zinc/31/63/86/558316386.db2.gz GZJVYNWGZDWLIG-OAQYLSRUSA-N 0 0 412.489 4.689 50 0 HJAARN Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)cn1 ZINC000012089798 558323895 /nfs/dbraw/zinc/32/38/95/558323895.db2.gz MYNXRJFXOIGFTE-NRFANRHFSA-N 0 0 417.484 4.687 50 0 HJAARN O=C(NC[C@@H]1Cc2cccc(-c3ncccn3)c2O1)[C@@H](c1ccccc1)C1CCCC1 ZINC000012100075 558325850 /nfs/dbraw/zinc/32/58/50/558325850.db2.gz UUNQCTUJRISOTQ-GMAHTHKFSA-N 0 0 413.521 4.537 50 0 HJAARN C=Cc1ccc(C(=O)N2CCc3ccc(NC(=O)Cc4ccccc4F)cc3C2)cc1 ZINC000012112170 558326695 /nfs/dbraw/zinc/32/66/95/558326695.db2.gz HKKBALXXMYTRGP-UHFFFAOYSA-N 0 0 414.480 4.848 50 0 HJAARN O=C1Nc2ccc(Cl)cc2[C@]12Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 ZINC000012130039 558332217 /nfs/dbraw/zinc/33/22/17/558332217.db2.gz TVKBVQFIFYBNEC-REWPJTCUSA-N 0 0 401.853 4.689 50 0 HJAARN O=C1Nc2ccc(Cl)cc2[C@]12Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 ZINC000012130045 558332359 /nfs/dbraw/zinc/33/23/59/558332359.db2.gz TVKBVQFIFYBNEC-OFNKIYASSA-N 0 0 401.853 4.689 50 0 HJAARN CCN(Cc1ccccc1)c1nc(CNC(=O)[C@H]2CC=CCC2)nc2ccccc21 ZINC000012135624 558333725 /nfs/dbraw/zinc/33/37/25/558333725.db2.gz KZQJKLWWFIFZKS-FQEVSTJZSA-N 0 0 400.526 4.629 50 0 HJAARN CCc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 ZINC000020192636 558344801 /nfs/dbraw/zinc/34/48/01/558344801.db2.gz QUGJZTJLZULZHZ-UHFFFAOYSA-N 0 0 411.552 4.859 50 0 HJAARN FC(F)(F)c1cnc(NCc2nnc(COc3ccc(Cl)cc3)o2)c(Cl)c1 ZINC000020218714 558348337 /nfs/dbraw/zinc/34/83/37/558348337.db2.gz QFEIVVCFFPJABT-UHFFFAOYSA-N 0 0 419.190 4.981 50 0 HJAARN COc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4cccc(OC)c4)=NN32)cc1 ZINC000012196661 558349746 /nfs/dbraw/zinc/34/97/46/558349746.db2.gz STCGKIDPWPTCEK-RDGATRHJSA-N 0 0 416.477 4.955 50 0 HJAARN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)[C@@H](C)c2ccccc2)C3)s1 ZINC000012218282 558354610 /nfs/dbraw/zinc/35/46/10/558354610.db2.gz VCZARBXVHYKPIY-LIRRHRJNSA-N 0 0 423.509 4.980 50 0 HJAARN CC(C)N1CCc2c(sc3ncn4nc(-c5ccc6ccccc6c5O)nc4c23)C1 ZINC000020392442 558359276 /nfs/dbraw/zinc/35/92/76/558359276.db2.gz LXIYWLVOWNZPIB-UHFFFAOYSA-N 0 0 415.522 4.631 50 0 HJAARN Cc1ccccc1NC(=S)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000020418879 558361577 /nfs/dbraw/zinc/36/15/77/558361577.db2.gz ARWPJEMMQMPEKE-UHFFFAOYSA-N 0 0 423.563 4.555 50 0 HJAARN c1csc(-c2noc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)c1 ZINC000020421618 558361891 /nfs/dbraw/zinc/36/18/91/558361891.db2.gz AYBCOJPSRDXMRJ-UHFFFAOYSA-N 0 0 416.550 4.705 50 0 HJAARN COC[C@@H](C)Oc1cccc(CN(Cc2ccncc2)C(=O)c2ccc(C)cc2)c1 ZINC000012248111 558361985 /nfs/dbraw/zinc/36/19/85/558361985.db2.gz BNOMWHWFMFSPBE-HXUWFJFHSA-N 0 0 404.510 4.646 50 0 HJAARN COc1ccc(CC(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)cc1 ZINC000012298871 558369092 /nfs/dbraw/zinc/36/90/92/558369092.db2.gz UPQVJAALZRVSIH-OAQYLSRUSA-N 0 0 403.526 4.562 50 0 HJAARN COc1cc2ccccc2cc1C(=O)Nc1nnc(CCSc2ccccc2)o1 ZINC000010690697 558386344 /nfs/dbraw/zinc/38/63/44/558386344.db2.gz PASQMGFSIZXZDH-UHFFFAOYSA-N 0 0 405.479 4.819 50 0 HJAARN COCCCn1c2nc(-c3ccc(C)c(C)c3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020605577 558387560 /nfs/dbraw/zinc/38/75/60/558387560.db2.gz RHPXDFLRYOUCCJ-UHFFFAOYSA-N 0 0 423.460 4.793 50 0 HJAARN CCCCNC(=O)N1CCc2c3cc(OC)ccc3[nH]c2[C@@H]1c1cccc(OC)c1 ZINC000020606179 558387714 /nfs/dbraw/zinc/38/77/14/558387714.db2.gz KZDFAIGIADUUJU-QHCPKHFHSA-N 0 0 407.514 4.642 50 0 HJAARN CC(C)(C)c1cc2nc(C(F)(F)F)cc(SCCOC(=O)c3ccccc3)n2n1 ZINC000012367298 558388497 /nfs/dbraw/zinc/38/84/97/558388497.db2.gz BCRSBUJVCZJGKL-UHFFFAOYSA-N 0 0 423.460 4.995 50 0 HJAARN CC(=O)c1sc(N(C[C@H]2CCCO2)C(=O)CCc2ccc(C(C)C)cc2)nc1C ZINC000020607973 558388705 /nfs/dbraw/zinc/38/87/05/558388705.db2.gz JDIUXRMYKHJVRX-HXUWFJFHSA-N 0 0 414.571 4.922 50 0 HJAARN Cc1c(C)n(Cc2cccc(C(F)(F)F)c2)c(N)c1S(=O)(=O)c1ccccc1 ZINC000012372618 558390021 /nfs/dbraw/zinc/39/00/21/558390021.db2.gz RTNRRRUZTIMLCF-UHFFFAOYSA-N 0 0 408.445 4.587 50 0 HJAARN Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)N[C@@H](C)c3cnn(C)c3C)cc12 ZINC000020615765 558392726 /nfs/dbraw/zinc/39/27/26/558392726.db2.gz HRAIZPUMOCPNSQ-KRWDZBQOSA-N 0 0 400.526 4.839 50 0 HJAARN CCOC(=O)Cn1nc(C2CC2)c2c1nc(-c1ccccc1OC)cc2C(F)(F)F ZINC000020615747 558392728 /nfs/dbraw/zinc/39/27/28/558392728.db2.gz KXPMZVYCBHLRBJ-UHFFFAOYSA-N 0 0 419.403 4.566 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)c1cc(C(=O)Nc2cccc(Cl)c2C)n(C)n1 ZINC000020617491 558393837 /nfs/dbraw/zinc/39/38/37/558393837.db2.gz JWZMQILJDWGCOI-UHFFFAOYSA-N 0 0 417.296 4.848 50 0 HJAARN O=C(Nc1nccs1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 ZINC000020715713 558401313 /nfs/dbraw/zinc/40/13/13/558401313.db2.gz UJPITEIDEGDKHI-IBGZPJMESA-N 0 0 409.555 4.967 50 0 HJAARN COc1cccc(CN(Cc2ccco2)C(=O)C2=C(c3ccccc3)SCCO2)c1 ZINC000020739500 558408726 /nfs/dbraw/zinc/40/87/26/558408726.db2.gz LVTDCKREUULYFK-UHFFFAOYSA-N 0 0 421.518 4.949 50 0 HJAARN O=C(C1=C(c2ccccc2)SCCO1)N(Cc1cccc(F)c1)c1ccccn1 ZINC000020745184 558409926 /nfs/dbraw/zinc/40/99/26/558409926.db2.gz RHYCAXBGQVRZAW-UHFFFAOYSA-N 0 0 406.482 4.886 50 0 HJAARN CCn1nnc2cc(C(=O)Nc3ccc4[nH]c(-c5cc(F)ccc5F)nc4c3)ccc21 ZINC000071998838 558416481 /nfs/dbraw/zinc/41/64/81/558416481.db2.gz HQHNHWOLIUPNIK-UHFFFAOYSA-N 0 0 418.407 4.525 50 0 HJAARN COc1ccc(CCc2nnc(CCC(=O)NC3CC(C)(C)CC(C)(C)C3)o2)cc1 ZINC000012453744 558416605 /nfs/dbraw/zinc/41/66/05/558416605.db2.gz LGAIIUUUABTESU-UHFFFAOYSA-N 0 0 413.562 4.517 50 0 HJAARN CCOC(=O)C1(C[C@H]2CCCCO2)CCN(C(=O)Nc2cccc(SC)c2)CC1 ZINC000012474583 558422673 /nfs/dbraw/zinc/42/26/73/558422673.db2.gz JAYBGTRHIXYCJJ-GOSISDBHSA-N 0 0 420.575 4.545 50 0 HJAARN O=C(Nc1ccc(F)c(Cl)c1)c1oc2ccccc2c1NC(=O)[C@@H]1CCCO1 ZINC000004342014 558425870 /nfs/dbraw/zinc/42/58/70/558425870.db2.gz DFSXJFMJDWHDIL-INIZCTEOSA-N 0 0 402.809 4.595 50 0 HJAARN Cc1noc(C)c1Cn1ccc(-c2cccc(-c3ccccc3C(=O)N(C)C)c2)n1 ZINC000020996097 558426889 /nfs/dbraw/zinc/42/68/89/558426889.db2.gz TYEMSPFOPMVQTE-UHFFFAOYSA-N 0 0 400.482 4.572 50 0 HJAARN Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(C(=O)c2cccc(N3CCCC3=O)c2)C1 ZINC000012578032 558431581 /nfs/dbraw/zinc/43/15/81/558431581.db2.gz JYUOKRZCDSAIGN-GOSISDBHSA-N 0 0 424.928 4.510 50 0 HJAARN CCOc1ccc(-c2noc(CSc3nnc(C)n3-c3cccc(C)c3)n2)cc1 ZINC000021168993 558432936 /nfs/dbraw/zinc/43/29/36/558432936.db2.gz BKWQQCNLIFQHKD-UHFFFAOYSA-N 0 0 407.499 4.625 50 0 HJAARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000021196885 558433636 /nfs/dbraw/zinc/43/36/36/558433636.db2.gz STRKPCNUMYDTCI-UHFFFAOYSA-N 0 0 419.230 4.652 50 0 HJAARN COc1ccc([C@@H](C)NC(=O)CCc2ncc(-c3c(F)cccc3F)o2)cc1F ZINC000021465569 558438904 /nfs/dbraw/zinc/43/89/04/558438904.db2.gz QXZRYWCOZGGPOP-GFCCVEGCSA-N 0 0 404.388 4.578 50 0 HJAARN O=C(CCC1CCN(C(=O)c2ccccc2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000012612470 558438969 /nfs/dbraw/zinc/43/89/69/558438969.db2.gz DCJOMFBOYYKHFR-UHFFFAOYSA-N 0 0 418.581 4.800 50 0 HJAARN COc1ccccc1-c1nc(COC(=O)c2cc(Cl)c3c(c2)OCCO3)cs1 ZINC000021499044 558439842 /nfs/dbraw/zinc/43/98/42/558439842.db2.gz UOHVCVXFLMRGHT-UHFFFAOYSA-N 0 0 417.870 4.600 50 0 HJAARN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(C)C)cc2)C1=O ZINC000012629057 558441165 /nfs/dbraw/zinc/44/11/65/558441165.db2.gz KHTNBYGPIJPXIL-NDENLUEZSA-N 0 0 424.522 4.705 50 0 HJAARN Cc1ccc(C)c(NC(=O)CCc2nc(CSc3nc4ccccc4o3)no2)c1 ZINC000021721395 558446596 /nfs/dbraw/zinc/44/65/96/558446596.db2.gz UFQGCPSEVRYNNJ-UHFFFAOYSA-N 0 0 408.483 4.691 50 0 HJAARN O=C(c1ccc(=O)[nH]c1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccccc1Cl ZINC000012701808 558447898 /nfs/dbraw/zinc/44/78/98/558447898.db2.gz BBRQSBOJMXZABK-JOCHJYFZSA-N 0 0 403.869 4.710 50 0 HJAARN COc1cc(-c2nc(CN3CCCC[C@H]3c3nccs3)c(C)o2)cc2c1OCO2 ZINC000012708322 558450805 /nfs/dbraw/zinc/45/08/05/558450805.db2.gz PJLAKFABJPJECQ-INIZCTEOSA-N 0 0 413.499 4.571 50 0 HJAARN COc1ccc(-c2nn(-c3ccccc3)cc2CN(C)Cc2c(C)n[nH]c2C)c(F)c1 ZINC000012711620 558452727 /nfs/dbraw/zinc/45/27/27/558452727.db2.gz NTOAQWKTUCBGCQ-UHFFFAOYSA-N 0 0 419.504 4.659 50 0 HJAARN O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCC(=O)N(CC2CCCCC2)C1 ZINC000012712954 558453538 /nfs/dbraw/zinc/45/35/38/558453538.db2.gz FIWSLEAJGQNMHN-QHCPKHFHSA-N 0 0 404.554 4.711 50 0 HJAARN CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000021923954 558455638 /nfs/dbraw/zinc/45/56/38/558455638.db2.gz KUSJSRUYOKJHBH-UHFFFAOYSA-N 0 0 420.456 4.585 50 0 HJAARN Cc1ccc(CCCNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(C)c1 ZINC000021938101 558456239 /nfs/dbraw/zinc/45/62/39/558456239.db2.gz BZZHMAUPFVLCQU-UHFFFAOYSA-N 0 0 419.491 4.683 50 0 HJAARN CCOc1ccc(C(=O)NCCc2ccc(-c3csc(C)n3)s2)cc1OCC ZINC000021965387 558456734 /nfs/dbraw/zinc/45/67/34/558456734.db2.gz ZREPFBPQNDVGSM-UHFFFAOYSA-N 0 0 416.568 4.950 50 0 HJAARN COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cc(Cl)ccc2Cl)c(OC)c1 ZINC000012753300 558459500 /nfs/dbraw/zinc/45/95/00/558459500.db2.gz FLJRWEDHEURDOR-INIZCTEOSA-N 0 0 416.326 4.536 50 0 HJAARN O=C(NC1CC1)c1cccc(N[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1 ZINC000012788056 558463896 /nfs/dbraw/zinc/46/38/96/558463896.db2.gz RIVRMUVISKRGGW-JOCHJYFZSA-N 0 0 403.457 4.510 50 0 HJAARN O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(-c2ccc(F)cc2)s1 ZINC000022144427 558464788 /nfs/dbraw/zinc/46/47/88/558464788.db2.gz LMIYVAKWINIBNI-UHFFFAOYSA-N 0 0 405.458 4.795 50 0 HJAARN Cc1ccc([C@H](NCc2nc(COc3ccc(F)cc3)no2)c2ccccc2)cc1 ZINC000012790487 558465099 /nfs/dbraw/zinc/46/50/99/558465099.db2.gz XOGDGZDAKBRDFR-XMMPIXPASA-N 0 0 403.457 4.975 50 0 HJAARN O=C(CSc1nnc(Nc2cccc(F)c2)s1)N1CCC[C@H]1c1cccs1 ZINC000022172390 558465254 /nfs/dbraw/zinc/46/52/54/558465254.db2.gz VTUJODYPTAQGDE-AWEZNQCLSA-N 0 0 420.560 4.938 50 0 HJAARN O=C(Nc1ccnn1Cc1cc(Br)cs1)c1ccc2ccccc2n1 ZINC000012793629 558467074 /nfs/dbraw/zinc/46/70/74/558467074.db2.gz WSDDSGWTCPGUCC-UHFFFAOYSA-N 0 0 413.300 4.556 50 0 HJAARN O=C(Cc1csc(COc2ccc(F)cc2)n1)NCc1cccc(C(F)(F)F)c1 ZINC000012795684 558468418 /nfs/dbraw/zinc/46/84/18/558468418.db2.gz PMXTWKKGGLVMJC-UHFFFAOYSA-N 0 0 424.419 4.739 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000012797207 558469851 /nfs/dbraw/zinc/46/98/51/558469851.db2.gz UBZAMTITGVDGTF-QFIPXVFZSA-N 0 0 422.960 4.709 50 0 HJAARN COc1cc(OC)c(C(=O)N(CCc2ccccc2)Cc2ccccc2)cc1OC ZINC000012799745 558471258 /nfs/dbraw/zinc/47/12/58/558471258.db2.gz MUMFHEBENWDBFC-UHFFFAOYSA-N 0 0 405.494 4.598 50 0 HJAARN O=C(Nc1cc2c(cc1[C@H](O)c1ccc(Cl)cc1)OCCO2)c1cccs1 ZINC000012858489 558481028 /nfs/dbraw/zinc/48/10/28/558481028.db2.gz RBUJZZFIGUATBJ-LJQANCHMSA-N 0 0 401.871 4.507 50 0 HJAARN Cc1cc(=O)oc2cc(NC(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)ccc12 ZINC000012944409 558487675 /nfs/dbraw/zinc/48/76/75/558487675.db2.gz MPAOKQSEMIDANX-UHFFFAOYSA-N 0 0 413.355 4.558 50 0 HJAARN CC1(C)Cc2cccc(OCC(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)c2O1 ZINC000012971068 558488777 /nfs/dbraw/zinc/48/87/77/558488777.db2.gz UFHZRWMBXHOAPQ-UHFFFAOYSA-N 0 0 413.477 4.961 50 0 HJAARN C[C@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1ccc(F)cc1F ZINC000012971534 558489020 /nfs/dbraw/zinc/48/90/20/558489020.db2.gz GCWYIJKRUKILAZ-INIZCTEOSA-N 0 0 422.475 4.848 50 0 HJAARN COc1ccc(-c2noc(CCC(=O)N[C@@H](C)c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000012972958 558489806 /nfs/dbraw/zinc/48/98/06/558489806.db2.gz HBEWGLFKPFAQJB-ZDUSSCGKSA-N 0 0 419.403 4.574 50 0 HJAARN CC(C)[C@H](NC(=O)Cn1nc(-c2cccs2)c2ccccc2c1=O)c1ccccc1 ZINC000012973048 558489822 /nfs/dbraw/zinc/48/98/22/558489822.db2.gz JFBQWGXTLSMDBD-QFIPXVFZSA-N 0 0 417.534 4.639 50 0 HJAARN O=C(Nc1ccc(F)cc1Cl)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012973777 558490214 /nfs/dbraw/zinc/49/02/14/558490214.db2.gz ZANSTOYFGAHSSU-SJAGGWKPSA-N 0 0 404.913 4.625 50 0 HJAARN O=C(Nc1ccccc1-c1nc(-c2ccco2)no1)c1ccc(Br)o1 ZINC000022461452 558490664 /nfs/dbraw/zinc/49/06/64/558490664.db2.gz FHZAGJDVEKJWMG-UHFFFAOYSA-N 0 0 400.188 4.604 50 0 HJAARN C[C@H](OC(=O)c1cc(-c2ccncc2)nc2ccccc21)C(=O)N(C)c1ccccc1 ZINC000022470722 558491383 /nfs/dbraw/zinc/49/13/83/558491383.db2.gz OXQBYGGBRNOBJS-KRWDZBQOSA-N 0 0 411.461 4.505 50 0 HJAARN O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012979502 558493016 /nfs/dbraw/zinc/49/30/16/558493016.db2.gz AALRZYSUYLDMKT-FRXJQHJJSA-N 0 0 420.475 4.851 50 0 HJAARN O=S(=O)(c1cccc(Br)c1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000012983715 558494416 /nfs/dbraw/zinc/49/44/16/558494416.db2.gz TZAKZHUZQBPFCA-HNNXBMFYSA-N 0 0 423.357 4.585 50 0 HJAARN O=c1c2c(-c3ccccc3)csc2ncn1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000012985596 558495147 /nfs/dbraw/zinc/49/51/47/558495147.db2.gz JKUPBTGWIXHITD-UHFFFAOYSA-N 0 0 420.881 4.877 50 0 HJAARN CC[C@@H](NC(=O)CCc1c(C)nc(SC)nc1C)c1ccc(Br)cc1 ZINC000013001195 558500441 /nfs/dbraw/zinc/50/04/41/558500441.db2.gz FDNVLESAURDDBD-QGZVFWFLSA-N 0 0 422.392 4.778 50 0 HJAARN C[C@H](Sc1nccc(C(F)(F)F)n1)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000022614612 558502454 /nfs/dbraw/zinc/50/24/54/558502454.db2.gz HVKJXKOQBNCSGM-QMMMGPOBSA-N 0 0 424.429 4.907 50 0 HJAARN COc1ccc2nc(NC(=O)c3ccccc3OCc3c(C)noc3C)sc2c1 ZINC000022699266 558505267 /nfs/dbraw/zinc/50/52/67/558505267.db2.gz XOQSKCSWYKVQRQ-UHFFFAOYSA-N 0 0 409.467 4.741 50 0 HJAARN CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(Cc3ncc(-c4ccccc4)o3)C2=O)cc1 ZINC000013042335 558508169 /nfs/dbraw/zinc/50/81/69/558508169.db2.gz MTGPFYHPSBAFPW-XMMPIXPASA-N 0 0 403.482 4.606 50 0 HJAARN CCOc1c(Cl)cc(/C=C2\N=C(c3cccc(OC(F)F)c3)OC2=O)cc1OC ZINC000013063604 558510689 /nfs/dbraw/zinc/51/06/89/558510689.db2.gz BTVDNKJPODJGDB-NVNXTCNLSA-N 0 0 423.799 4.693 50 0 HJAARN CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c1 ZINC000013071118 558511379 /nfs/dbraw/zinc/51/13/79/558511379.db2.gz SZXVRESIKWTLQM-UHFFFAOYSA-N 0 0 419.481 4.575 50 0 HJAARN O=C(COC(=O)CCCOc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)CCC2 ZINC000013072289 558511686 /nfs/dbraw/zinc/51/16/86/558511686.db2.gz CDCLJKPUBYVYPE-UHFFFAOYSA-N 0 0 422.308 4.823 50 0 HJAARN CC(=O)c1cccc(NC(=O)[C@H](OC(=O)[C@@]2(C)CC2(Cl)Cl)c2ccccc2)c1 ZINC000010863556 558514936 /nfs/dbraw/zinc/51/49/36/558514936.db2.gz MFXZSSYDDKMMEH-YLJYHZDGSA-N 0 0 420.292 4.696 50 0 HJAARN Cn1c(SCC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)nnc1C1CC1 ZINC000013114436 558515757 /nfs/dbraw/zinc/51/57/57/558515757.db2.gz LZYJBJDTPYSMTL-SFHVURJKSA-N 0 0 422.579 4.665 50 0 HJAARN O=C(CSc1ncnc2ccccc21)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000013117029 558516499 /nfs/dbraw/zinc/51/64/99/558516499.db2.gz CQKYYQKFQREYIM-KRWDZBQOSA-N 0 0 420.519 4.754 50 0 HJAARN O=C(Nc1ccc2c(c1)CCC2)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000013124476 558518013 /nfs/dbraw/zinc/51/80/13/558518013.db2.gz MVMOSZFLDVTONJ-AEFFLSMTSA-N 0 0 416.403 4.877 50 0 aggregator HJAARN CCOc1ccc2oc(C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)c(C)c2c1 ZINC000013148491 558523419 /nfs/dbraw/zinc/52/34/19/558523419.db2.gz TWDWDZIRGLLESZ-UHFFFAOYSA-N 0 0 421.371 4.954 50 0 HJAARN CC(C)Cc1nc2oc3c(ncnc3NCc3ccccn3)c2c2c1COC(C)(C)C2 ZINC000013207109 558525440 /nfs/dbraw/zinc/52/54/40/558525440.db2.gz DVRCRGNUKWUQHF-UHFFFAOYSA-N 0 0 417.513 4.828 50 0 HJAARN Cc1ccc([C@@H]2Oc3ccc(C)cc3C3=Nc4ncnn4[C@H](c4cccnc4)C32)cc1 ZINC000013213783 558525970 /nfs/dbraw/zinc/52/59/70/558525970.db2.gz GXQGUAHMKPPOKP-RPWUZVMVSA-N 0 0 407.477 4.503 50 0 HJAARN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000023056449 558532586 /nfs/dbraw/zinc/53/25/86/558532586.db2.gz BGCLHZSDRIDAIR-INIZCTEOSA-N 0 0 418.396 4.549 50 0 HJAARN COc1ccc(OCCN(C)C(=O)c2ccccc2SCc2cscn2)cc1 ZINC000023082133 558533824 /nfs/dbraw/zinc/53/38/24/558533824.db2.gz IUWJDTGRHMLXOZ-UHFFFAOYSA-N 0 0 414.552 4.595 50 0 HJAARN Cc1ccc2ncc(C(=O)Nc3nc(-c4ccc(C(C)(C)C)cc4)cs3)c(=O)n2c1 ZINC000023082826 558533827 /nfs/dbraw/zinc/53/38/27/558533827.db2.gz UGTOMOWVEAXEKB-UHFFFAOYSA-N 0 0 418.522 4.676 50 0 HJAARN CCOC(=O)Nc1sc(NC(=O)c2ccc(OC)cc2)nc1-c1ccc(F)cc1 ZINC000013552362 558539408 /nfs/dbraw/zinc/53/94/08/558539408.db2.gz JNXINDNSNSBKQN-UHFFFAOYSA-N 0 0 415.446 4.779 50 0 HJAARN COc1cc2c(cc1OC)[C@@H](C)N(C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)CC2 ZINC000013576673 558543592 /nfs/dbraw/zinc/54/35/92/558543592.db2.gz AFCDQFMNNKOSHS-CHWSQXEVSA-N 0 0 424.324 4.924 50 0 HJAARN O=S(=O)(NCCc1csc(-c2cccs2)n1)c1cc(Cl)ccc1Cl ZINC000013592132 558546299 /nfs/dbraw/zinc/54/62/99/558546299.db2.gz CEKIUQKXIYCMMF-UHFFFAOYSA-N 0 0 419.380 4.699 50 0 HJAARN CC[C@@H](Sc1nc(C)c(Cc2ccc(O)cc2)[nH]1)C(=O)N[C@@H](C)c1ccccc1 ZINC000023279062 558547297 /nfs/dbraw/zinc/54/72/97/558547297.db2.gz XOIGCDYQKRQSOE-YCRPNKLZSA-N 0 0 409.555 4.763 50 0 HJAARN Cc1cccn2cc(COc3ccc(C(=O)NCC4(c5ccccc5)CC4)cc3)nc12 ZINC000010895434 558547684 /nfs/dbraw/zinc/54/76/84/558547684.db2.gz BASZARFAPVDCTC-UHFFFAOYSA-N 0 0 411.505 4.683 50 0 HJAARN COC(=O)c1cccc(NC(=O)N2CCc3ccccc3[C@H]2c2ccc(F)cc2)c1 ZINC000023332589 558549554 /nfs/dbraw/zinc/54/95/54/558549554.db2.gz JZHMDVRLXLYIJC-JOCHJYFZSA-N 0 0 404.441 4.792 50 0 HJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)C(C)(C)C)c2)n(-c2ccccc2OC)n1 ZINC000023428141 558558292 /nfs/dbraw/zinc/55/82/92/558558292.db2.gz NJQOPLABWOLISX-UHFFFAOYSA-N 0 0 421.497 4.709 50 0 HJAARN CCCCOc1cccc(OCCCC)c1C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000004438300 558559739 /nfs/dbraw/zinc/55/97/39/558559739.db2.gz WOQVOMSCNMBJJV-GOSISDBHSA-N 0 0 413.514 4.614 50 0 HJAARN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1nnc(COc2ccc(F)cc2)o1 ZINC000023553115 558561911 /nfs/dbraw/zinc/56/19/11/558561911.db2.gz QEKXDJQPNFZQFT-JLSDUUJJSA-N 0 0 422.522 4.884 50 0 HJAARN O=C(Nc1ccccc1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013686783 558569931 /nfs/dbraw/zinc/56/99/31/558569931.db2.gz DXGOCKUYFYQXJH-UHFFFAOYSA-N 0 0 407.464 4.904 50 0 HJAARN CC(C)(C)c1ccc(-c2nn3c(nnc3-c3cncc(Br)c3)s2)cc1 ZINC000013690350 558572273 /nfs/dbraw/zinc/57/22/73/558572273.db2.gz VSAADJRRLGMJTQ-UHFFFAOYSA-N 0 0 414.332 4.975 50 0 HJAARN O=c1[nH]c(CN2CCC[C@@H](c3nc4ccccc4s3)C2)nc2cc(Cl)ccc12 ZINC000023883274 558580378 /nfs/dbraw/zinc/58/03/78/558580378.db2.gz HKTFMEMFOZGTTJ-CYBMUJFWSA-N 0 0 410.930 4.566 50 0 HJAARN O=c1[nH]c(CN2CCC[C@H](c3nc4ccccc4s3)C2)nc2ccc(Cl)cc12 ZINC000023883182 558580447 /nfs/dbraw/zinc/58/04/47/558580447.db2.gz ADDFQFSAAUPMPW-ZDUSSCGKSA-N 0 0 410.930 4.566 50 0 HJAARN O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1ccc(-n2ccnc2)cc1 ZINC000024050701 558586944 /nfs/dbraw/zinc/58/69/44/558586944.db2.gz MIVUUSHPUKWFFM-UHFFFAOYSA-N 0 0 404.373 4.633 50 0 HJAARN CC(C)N(Cc1ccc(OS(C)(=O)=O)cc1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000004457493 558590171 /nfs/dbraw/zinc/59/01/71/558590171.db2.gz SOZBOFUPSYTMAJ-UHFFFAOYSA-N 0 0 423.534 4.743 50 0 HJAARN CCOc1cc(C(=O)Nc2ccc(Br)c(C)n2)cc(OCC)c1OCC ZINC000013757890 558590531 /nfs/dbraw/zinc/59/05/31/558590531.db2.gz CVUHTMRRIKZNGA-UHFFFAOYSA-N 0 0 423.307 4.601 50 0 HJAARN COc1ccc(OCc2cc(C(=O)NCCSCc3ccsc3)c(C)o2)cc1 ZINC000024192187 558591492 /nfs/dbraw/zinc/59/14/92/558591492.db2.gz AOQXUGPEUPGCCX-UHFFFAOYSA-N 0 0 417.552 4.900 50 0 HJAARN COc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)c(OC)c4)=NN32)c1 ZINC000013778004 558592872 /nfs/dbraw/zinc/59/28/72/558592872.db2.gz WMMGYLINIRACHC-BWKNWUBXSA-N 0 0 416.477 4.955 50 0 HJAARN COc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc4c(c3)OCO4)=NN21 ZINC000013786211 558593324 /nfs/dbraw/zinc/59/33/24/558593324.db2.gz IBFDPFBFOLMWIH-DVECYGJZSA-N 0 0 400.434 4.666 50 0 HJAARN O=C(N[C@H](NCCc1ccccc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 ZINC000024302799 558594711 /nfs/dbraw/zinc/59/47/11/558594711.db2.gz TZAWROXJAKCLJW-INIZCTEOSA-N 0 0 406.140 4.598 50 0 HJAARN O=C(c1cccs1)N1CCC(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)CC1 ZINC000024470890 558598639 /nfs/dbraw/zinc/59/86/39/558598639.db2.gz FMQPLHUVGFDMAF-UHFFFAOYSA-N 0 0 422.472 4.599 50 0 HJAARN COc1ccccc1NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1 ZINC000004471478 558599237 /nfs/dbraw/zinc/59/92/37/558599237.db2.gz DCPWBAXFFFXKIL-HMMYKYKNSA-N 0 0 406.869 4.758 50 0 HJAARN O=C(N(Cc1ccccc1)c1ccccc1)C12C[C@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2 ZINC000013882270 558599832 /nfs/dbraw/zinc/59/98/32/558599832.db2.gz DNYUJLWTCIEYGH-PJYWLYPCSA-N 0 0 412.537 4.807 50 0 HJAARN O=c1c2cnn(-c3cccc(Cl)c3)c2ncn1Cc1ccc(Cl)cc1Cl ZINC000004479171 558601781 /nfs/dbraw/zinc/60/17/81/558601781.db2.gz LXCXJDQUOZPSQF-UHFFFAOYSA-N 0 0 405.672 4.591 50 0 HJAARN O=c1c2cnn(-c3cccc(Cl)c3)c2ncn1Cc1ccc(Cl)c(Cl)c1 ZINC000004479169 558601818 /nfs/dbraw/zinc/60/18/18/558601818.db2.gz DAGBMXYLLZMASE-UHFFFAOYSA-N 0 0 405.672 4.591 50 0 HJAARN CSc1ccc([C@H]2NC(=S)N=C(C)C2c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000004483830 558603175 /nfs/dbraw/zinc/60/31/75/558603175.db2.gz WKDUUKYABZHMLG-GOSISDBHSA-N 0 0 408.552 4.717 50 0 HJAARN CCn1c2ccccc2c2nnc(SCC(=O)N3CCC[C@H]3c3cccs3)nc21 ZINC000024633706 558605835 /nfs/dbraw/zinc/60/58/35/558605835.db2.gz YOYNILYSKMNEMC-INIZCTEOSA-N 0 0 423.567 4.517 50 0 HJAARN CCn1c(S[C@H](C)C(=O)c2c[nH]c3ccccc32)nnc1-c1ccccc1OC ZINC000024638304 558605990 /nfs/dbraw/zinc/60/59/90/558605990.db2.gz OEBUFJSQSTXZDH-CQSZACIVSA-N 0 0 406.511 4.818 50 0 HJAARN Cc1cc(NC(=O)CSc2nc(C)c(Cc3ccccc3)[nH]2)n(-c2ccccc2)n1 ZINC000004492616 558609671 /nfs/dbraw/zinc/60/96/71/558609671.db2.gz IFCVCBBEHCHZFK-UHFFFAOYSA-N 0 0 417.538 4.534 50 0 HJAARN CCOc1cc(Br)c(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc1OC ZINC000014011485 558613508 /nfs/dbraw/zinc/61/35/08/558613508.db2.gz JIPTXECTWDZTBM-XBLUXWHVSA-N 0 0 414.321 4.691 50 0 HJAARN CC(C)n1nccc1NC(=O)CSc1nc(C2CCCCC2)n(-c2ccccc2)n1 ZINC000014013918 558613528 /nfs/dbraw/zinc/61/35/28/558613528.db2.gz JCFOBESVRAGDPT-UHFFFAOYSA-N 0 0 424.574 4.823 50 0 HJAARN CN(CC(=O)Nc1ccccc1Cc1ccccc1)Cc1cnn(-c2ccccc2)c1 ZINC000014022251 558614332 /nfs/dbraw/zinc/61/43/32/558614332.db2.gz DKUIWUUAZGXADF-UHFFFAOYSA-N 0 0 410.521 4.534 50 0 HJAARN COc1cc(OC)c(N[C@@H](C(=O)NCc2ccccc2)c2ccccc2)cc1Cl ZINC000014075915 558617892 /nfs/dbraw/zinc/61/78/92/558617892.db2.gz AQXRQOAKRBANKX-JOCHJYFZSA-N 0 0 410.901 4.827 50 0 HJAARN COc1cc(OC)c(N[C@H](C(=O)NCc2ccccc2)c2ccccc2)cc1Cl ZINC000014075917 558617896 /nfs/dbraw/zinc/61/78/96/558617896.db2.gz AQXRQOAKRBANKX-QFIPXVFZSA-N 0 0 410.901 4.827 50 0 HJAARN Cc1nc(S[C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)sc1CC(N)=O ZINC000024901606 558619589 /nfs/dbraw/zinc/61/95/89/558619589.db2.gz BJCHIJZFVFZERC-NRFANRHFSA-N 0 0 421.547 4.677 50 0 HJAARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccnn1Cc1cccc(Cl)c1 ZINC000024976057 558623821 /nfs/dbraw/zinc/62/38/21/558623821.db2.gz DZIONAIRFTUOTO-UHFFFAOYSA-N 0 0 406.873 4.729 50 0 HJAARN Cc1noc(C)c1CSc1ccccc1C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000024987051 558625281 /nfs/dbraw/zinc/62/52/81/558625281.db2.gz AEDJUTTVKMARQF-UHFFFAOYSA-N 0 0 418.522 4.699 50 0 HJAARN CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000025001682 558626621 /nfs/dbraw/zinc/62/66/21/558626621.db2.gz FYGQSMRZADJTAS-HNNXBMFYSA-N 0 0 405.420 4.616 50 0 HJAARN O=C(COc1ccccc1Cc1ccccc1)Nc1ccccc1C(=O)N1CCCC1 ZINC000014168036 558626966 /nfs/dbraw/zinc/62/69/66/558626966.db2.gz BYDQKYWTOYPDQS-UHFFFAOYSA-N 0 0 414.505 4.531 50 0 HJAARN Cc1cc(SCC(=O)Nc2cc(Cl)ccc2-n2cncn2)nc2ccccc12 ZINC000025042092 558627775 /nfs/dbraw/zinc/62/77/75/558627775.db2.gz LEJFDUWWJKTYNL-UHFFFAOYSA-N 0 0 409.902 4.508 50 0 HJAARN COc1ccc([C@H]2CCCN2C(=O)c2csc(-c3ccsc3)n2)c(OC)c1 ZINC000014183889 558629387 /nfs/dbraw/zinc/62/93/87/558629387.db2.gz JFNKVXMALUXRCS-QGZVFWFLSA-N 0 0 400.525 4.866 50 0 HJAARN C[C@H](NC(=O)Nc1ccccc1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000025065697 558630109 /nfs/dbraw/zinc/63/01/09/558630109.db2.gz XSLZVJFVWIHFJK-IBGZPJMESA-N 0 0 401.510 4.535 50 0 HJAARN COc1cc(C(=O)N2CCC[C@H]2c2ccccc2)ccc1OCc1c(C)noc1C ZINC000025162815 558633321 /nfs/dbraw/zinc/63/33/21/558633321.db2.gz LNFGJRSPVZLHSX-NRFANRHFSA-N 0 0 406.482 4.856 50 0 HJAARN Cc1sc2nc(CN3CCOCC3)nc(Oc3ccc(Cl)cc3C)c2c1C ZINC000025286154 558636717 /nfs/dbraw/zinc/63/67/17/558636717.db2.gz MIELGPNEMRBMEB-UHFFFAOYSA-N 0 0 403.935 4.894 50 0 HJAARN COc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2C)cc1 ZINC000004518117 558641475 /nfs/dbraw/zinc/64/14/75/558641475.db2.gz YNFWPNNBFUGXFF-UHFFFAOYSA-N 0 0 405.502 4.560 50 0 HJAARN COc1cccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2cc(C)cc(C)c2)c1 ZINC000004518188 558641718 /nfs/dbraw/zinc/64/17/18/558641718.db2.gz QIMGGVOGUKKREX-UHFFFAOYSA-N 0 0 419.529 4.869 50 0 HJAARN CCc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2OC)cc1 ZINC000004518149 558641747 /nfs/dbraw/zinc/64/17/47/558641747.db2.gz JHZASUZJCQQCPJ-UHFFFAOYSA-N 0 0 419.529 4.814 50 0 HJAARN CNC(=S)c1c(-c2ccccc2)c2c3n(c(COc4ccccc4)nn13)CCCC2 ZINC000004518357 558642346 /nfs/dbraw/zinc/64/23/46/558642346.db2.gz JMOKLOLLMMMAIM-UHFFFAOYSA-N 0 0 416.550 4.613 50 0 HJAARN COc1ccc(-c2cn3nc(COc4ccccc4)n4c3c2CCCC4)cc1OC ZINC000004518356 558642413 /nfs/dbraw/zinc/64/24/13/558642413.db2.gz BTLAUEKZZIVEND-UHFFFAOYSA-N 0 0 403.482 4.735 50 0 HJAARN COc1ccc2cc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)ccc2c1 ZINC000014242424 558644923 /nfs/dbraw/zinc/64/49/23/558644923.db2.gz LSDCVXDOWCYJOK-JOCHJYFZSA-N 0 0 403.478 4.987 50 0 HJAARN CCc1nc(SCC(=O)N[C@H](C)c2ccco2)nc(N)c1-c1ccc(Cl)cc1 ZINC000025589105 558645122 /nfs/dbraw/zinc/64/51/22/558645122.db2.gz UVPWKTYUQNOEKT-GFCCVEGCSA-N 0 0 416.934 4.504 50 0 HJAARN O=C(CSc1nnc(C2CCCCC2)n1-n1cccc1)Nc1ccccc1Cl ZINC000004518666 558645313 /nfs/dbraw/zinc/64/53/13/558645313.db2.gz UHZOLHFAVYWABY-UHFFFAOYSA-N 0 0 415.950 4.823 50 0 HJAARN Cc1cccc(NC(=O)CSc2nnc(C3CCCCC3)n2-n2cccc2)c1C ZINC000004518669 558645347 /nfs/dbraw/zinc/64/53/47/558645347.db2.gz VRRTXWIWLRKPJU-UHFFFAOYSA-N 0 0 409.559 4.786 50 0 HJAARN CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000025644931 558646608 /nfs/dbraw/zinc/64/66/08/558646608.db2.gz AOMYZKVPDQEADD-NRFANRHFSA-N 0 0 423.513 4.903 50 0 HJAARN COc1cc(C2SCCS2)ccc1OC(=O)c1ccc(C(F)(F)F)nc1 ZINC000014249273 558649341 /nfs/dbraw/zinc/64/93/41/558649341.db2.gz KXDBVEFKFNDVGB-UHFFFAOYSA-N 0 0 401.431 4.807 50 0 HJAARN CC(C)n1c(Sc2ncnc3c2cnn3C)nnc1-c1ccc(Cl)cc1Cl ZINC000014287070 558651787 /nfs/dbraw/zinc/65/17/87/558651787.db2.gz AZXVPQZJGJNIEC-UHFFFAOYSA-N 0 0 420.329 4.661 50 0 HJAARN O=C1N[C@H](c2ccccc2Cl)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000004525609 558653265 /nfs/dbraw/zinc/65/32/65/558653265.db2.gz CUQFOSGSPVKUHZ-FQEVSTJZSA-N 0 0 409.942 4.814 50 0 HJAARN CCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1C)C(=O)C1CC1 ZINC000004526483 558653575 /nfs/dbraw/zinc/65/35/75/558653575.db2.gz WRZJBVVVOMQTNZ-UHFFFAOYSA-N 0 0 424.589 4.764 50 0 HJAARN CCCSc1nnc(SC[C@@H]2CSc3nnc(-c4ccccc4)n32)s1 ZINC000026112387 558655476 /nfs/dbraw/zinc/65/54/76/558655476.db2.gz OCGPNVANAZWMLN-LBPRGKRZSA-N 0 0 407.615 4.738 50 0 HJAARN Fc1cccc(-c2nc(CSc3nnc([C@H]4COc5ccccc5O4)o3)co2)c1 ZINC000026111936 558655482 /nfs/dbraw/zinc/65/54/82/558655482.db2.gz LCLSYYTXZDVQJK-QGZVFWFLSA-N 0 0 411.414 4.669 50 0 HJAARN Fc1cccc(-c2nc(CSc3nnc([C@@H]4COc5ccccc5O4)o3)co2)c1 ZINC000026111928 558655515 /nfs/dbraw/zinc/65/55/15/558655515.db2.gz LCLSYYTXZDVQJK-KRWDZBQOSA-N 0 0 411.414 4.669 50 0 HJAARN CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC000014622893 558662020 /nfs/dbraw/zinc/66/20/20/558662020.db2.gz MOMVUHJFEBEKHA-UHFFFAOYSA-N 0 0 401.871 4.788 50 0 HJAARN COc1cc(OC)c(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)cc1Cl ZINC000026562001 558663155 /nfs/dbraw/zinc/66/31/55/558663155.db2.gz ZJWUGGSTHFMMDH-UHFFFAOYSA-N 0 0 416.861 4.793 50 0 HJAARN CCc1cc2c(ncnc2NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)s1 ZINC000069982169 558666295 /nfs/dbraw/zinc/66/62/95/558666295.db2.gz VDZCUNLNRJETSY-UHFFFAOYSA-N 0 0 407.465 4.748 50 0 HJAARN C[C@@H](c1cc2ccccc2o1)N(C)Cc1nnc(C(=O)NCc2ccc(F)cc2)s1 ZINC000026925056 558667265 /nfs/dbraw/zinc/66/72/65/558667265.db2.gz JZVPGEJZBFXBDF-AWEZNQCLSA-N 0 0 424.501 4.546 50 0 HJAARN O=C(CC[C@@H]1Cc2ccccc2NC1=O)Oc1ccc(Br)cc1Cl ZINC000014849316 558674841 /nfs/dbraw/zinc/67/48/41/558674841.db2.gz FIJSQSNICKILBP-GFCCVEGCSA-N 0 0 408.679 4.599 50 0 HJAARN CCNC(=O)c1c2c(sc1NC(=O)c1cc(-c3ccc(C)c(C)c3)on1)CCCC2 ZINC000027582601 558676035 /nfs/dbraw/zinc/67/60/35/558676035.db2.gz CHBBYHNHKWCRNE-UHFFFAOYSA-N 0 0 423.538 4.901 50 0 HJAARN CC(C)c1ccc(OCC(=O)Nc2nonc2-c2ccc(Br)cc2)cc1 ZINC000027583115 558676275 /nfs/dbraw/zinc/67/62/75/558676275.db2.gz KHSUAOXUMFPUBA-UHFFFAOYSA-N 0 0 416.275 4.640 50 0 HJAARN COC(=O)c1ccc(C)c(NC(=O)COc2ccc(C3SCCCS3)cc2)c1 ZINC000014893503 558678269 /nfs/dbraw/zinc/67/82/69/558678269.db2.gz FJSMXCCUJGRADF-UHFFFAOYSA-N 0 0 417.552 4.668 50 0 HJAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1cc(-c2ccc(C)cc2)on1 ZINC000027662615 558678332 /nfs/dbraw/zinc/67/83/32/558678332.db2.gz LYSWCNCCYGUGGI-UHFFFAOYSA-N 0 0 412.467 4.652 50 0 HJAARN Cc1cc(C)cc(OCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCCC2)c1 ZINC000027663731 558678932 /nfs/dbraw/zinc/67/89/32/558678932.db2.gz RRNGWJZTQHCSGU-QFIPXVFZSA-N 0 0 400.950 4.679 50 0 HJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000060062869 558679717 /nfs/dbraw/zinc/67/97/17/558679717.db2.gz IDTUFPZKNRRKCO-KRWDZBQOSA-N 0 0 406.269 4.739 50 0 HJAARN C[C@@H](Oc1ccccc1F)C(=O)Nc1cc(-c2ccc(Br)cc2)no1 ZINC000027749588 558681908 /nfs/dbraw/zinc/68/19/08/558681908.db2.gz OUYIKKUPATZWOR-LLVKDONJSA-N 0 0 405.223 4.649 50 0 HJAARN CCCc1noc([C@@H](C)Sc2nnc(-c3cccnc3)n2-c2ccccc2C)n1 ZINC000027775456 558682361 /nfs/dbraw/zinc/68/23/61/558682361.db2.gz NHHVDVDTWYZONI-OAHLLOKOSA-N 0 0 406.515 4.827 50 0 HJAARN COc1ccccc1O[C@H](C)C(=O)Nc1cc(-c2ccc(Br)cc2)no1 ZINC000027793716 558682903 /nfs/dbraw/zinc/68/29/03/558682903.db2.gz JREIQDXFILSMLT-GFCCVEGCSA-N 0 0 417.259 4.519 50 0 HJAARN COc1ccc(-c2nsc(NC(=O)c3oc4cc(C)ccc4c3C)n2)cc1OC ZINC000027794520 558683064 /nfs/dbraw/zinc/68/30/64/558683064.db2.gz RLNFUBDFTMFAOR-UHFFFAOYSA-N 0 0 409.467 4.838 50 0 HJAARN CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN=C1c1ccccc1 ZINC000027824555 558683748 /nfs/dbraw/zinc/68/37/48/558683748.db2.gz YRBRHUCHAQUHQH-UHFFFAOYSA-N 0 0 420.962 4.669 50 0 HJAARN Cc1ccccc1-n1c(SCc2noc(C(C)(C)C)n2)nnc1-c1cccnc1 ZINC000028009167 558689376 /nfs/dbraw/zinc/68/93/76/558689376.db2.gz GCDATMOVKGQIHG-UHFFFAOYSA-N 0 0 406.515 4.611 50 0 HJAARN COc1ccc(-c2nn(-c3ccccc3F)cc2CN(C)[C@@H](C)c2ccon2)cc1 ZINC000014976911 558689515 /nfs/dbraw/zinc/68/95/15/558689515.db2.gz QEWGWHQALATUTH-INIZCTEOSA-N 0 0 406.461 4.868 50 0 HJAARN OC1(Cc2cc(-c3ccccc3)no2)CCN(Cc2ccc([C@@H]3CCCCO3)o2)CC1 ZINC000014978424 558690151 /nfs/dbraw/zinc/69/01/51/558690151.db2.gz IYRLTOAVQPMZSQ-QHCPKHFHSA-N 0 0 422.525 4.746 50 0 HJAARN Cc1cc(-c2ccnc(-n3ncc(C(=O)N(C)CC(C)C)c3C3CC3)n2)c(C)s1 ZINC000014986301 558692829 /nfs/dbraw/zinc/69/28/29/558692829.db2.gz NIWRNSNTCLADIY-UHFFFAOYSA-N 0 0 409.559 4.613 50 0 HJAARN CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CC2CCCC2)C3)s1 ZINC000014988449 558693550 /nfs/dbraw/zinc/69/35/50/558693550.db2.gz OBYSTOHWQMHRTC-KRWDZBQOSA-N 0 0 401.503 4.757 50 0 HJAARN Cc1c2ccc(C)cc2oc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000028288029 558695208 /nfs/dbraw/zinc/69/52/08/558695208.db2.gz WERYZPMMIBLIOF-FQEVSTJZSA-N 0 0 412.917 4.506 50 0 HJAARN COc1ccccc1O[C@H](C)C(=O)N(Cc1c(F)cccc1Cl)c1ccccn1 ZINC000028290831 558697095 /nfs/dbraw/zinc/69/70/95/558697095.db2.gz UVIFGHGDHHBRKW-OAHLLOKOSA-N 0 0 414.864 4.883 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3nc2N2CCCC2)c(Cl)c1 ZINC000072273503 558699260 /nfs/dbraw/zinc/69/92/60/558699260.db2.gz KBDYABTVJBGDOI-UHFFFAOYSA-N 0 0 408.889 4.699 50 0 HJAARN Cc1noc2nc(C3CC3)cc(C(=O)O[C@H](C)c3nnc(-c4cccc(C)c4)o3)c12 ZINC000028477972 558701366 /nfs/dbraw/zinc/70/13/66/558701366.db2.gz HSUZZKODZSKUKB-CYBMUJFWSA-N 0 0 404.426 4.685 50 0 HJAARN COC(=O)c1ccc([C@@H]2Nc3ccc(Br)cc3[C@H]3OCCC[C@@H]23)cc1 ZINC000015017925 558702724 /nfs/dbraw/zinc/70/27/24/558702724.db2.gz BYIDDSLXDLLHIT-SNRMKQJTSA-N 0 0 402.288 4.870 50 0 HJAARN CC[C@@H](C)NC(=O)CSc1nnc(-c2cc3ccccc3o2)n1-c1ccc(C)cc1 ZINC000015019306 558703071 /nfs/dbraw/zinc/70/30/71/558703071.db2.gz PCYKHQPEDNXVGE-MRXNPFEDSA-N 0 0 420.538 4.996 50 0 HJAARN CC[C@H](C)NC(=O)CSc1nnc(-c2cc3ccccc3o2)n1-c1ccc(C)cc1 ZINC000015019307 558703140 /nfs/dbraw/zinc/70/31/40/558703140.db2.gz PCYKHQPEDNXVGE-INIZCTEOSA-N 0 0 420.538 4.996 50 0 HJAARN Cc1noc(C)c1CSc1ncccc1C(=O)Nc1nc(-c2cccnc2)cs1 ZINC000028718059 558703914 /nfs/dbraw/zinc/70/39/14/558703914.db2.gz KVVMRHXBTIDGMP-UHFFFAOYSA-N 0 0 423.523 4.750 50 0 HJAARN O=C(COC(=O)c1ccccc1NCCC1=CCCCC1)Nc1cccnc1Cl ZINC000015043124 558704174 /nfs/dbraw/zinc/70/41/74/558704174.db2.gz JQFVDUXQUADPHU-UHFFFAOYSA-N 0 0 413.905 4.833 50 0 HJAARN Cc1ccc(-c2noc(CSCC(=O)N[C@H](C)c3cc4ccccc4o3)n2)cc1 ZINC000028909073 558707043 /nfs/dbraw/zinc/70/70/43/558707043.db2.gz GKIVYPKJQHHMCC-OAHLLOKOSA-N 0 0 407.495 4.902 50 0 HJAARN COc1ccc2c(C)c(CCC(=O)N(C)[C@@H]3CCCc4ccccc43)c(=O)oc2c1 ZINC000029258861 558712480 /nfs/dbraw/zinc/71/24/80/558712480.db2.gz SCAXQRSKAMWCIF-JOCHJYFZSA-N 0 0 405.494 4.579 50 0 HJAARN Clc1ccc(-c2nc(CSc3nnc(C4CC4)n3Cc3ccco3)no2)cc1 ZINC000029384262 558714467 /nfs/dbraw/zinc/71/44/67/558714467.db2.gz GJJKRMNGYRGNMO-UHFFFAOYSA-N 0 0 413.890 4.793 50 0 HJAARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000029674244 558718626 /nfs/dbraw/zinc/71/86/26/558718626.db2.gz NTYWMXVIHOWMSZ-QFIPXVFZSA-N 0 0 404.441 4.666 50 0 HJAARN COc1cccc([C@@H](NC(=O)N[C@@H](C)c2ccc(C(C)C)cc2)c2nccn2C)c1 ZINC000029729882 558719493 /nfs/dbraw/zinc/71/94/93/558719493.db2.gz IDQZIFQJSMUCNN-HTAPYJJXSA-N 0 0 406.530 4.702 50 0 HJAARN CCc1ccc(CN(Cc2cccnc2)C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1 ZINC000029765837 558720361 /nfs/dbraw/zinc/72/03/61/558720361.db2.gz VDGWHCYLXGHDNF-QHCPKHFHSA-N 0 0 406.913 4.830 50 0 HJAARN O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000029870125 558722836 /nfs/dbraw/zinc/72/28/36/558722836.db2.gz NYKMJXDJDXBTPV-JOCHJYFZSA-N 0 0 420.484 4.607 50 0 HJAARN Cc1c(C(=O)Nc2ccccc2)sc2c1[C@H](c1ccc3c(c1)OCO3)CC(=O)N2 ZINC000015106587 558722962 /nfs/dbraw/zinc/72/29/62/558722962.db2.gz HEHDVUMKJDKXOG-HNNXBMFYSA-N 0 0 406.463 4.512 50 0 HJAARN CC(C)[C@H](NC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1)c1nnc2ccccn21 ZINC000072291355 558724670 /nfs/dbraw/zinc/72/46/70/558724670.db2.gz DWIXZDSVXIHEKB-KUHUBIRLSA-N 0 0 404.436 4.755 50 0 HJAARN COc1ccccc1CN(Cc1cccs1)C(=O)c1nc(SC)ncc1Cl ZINC000030476457 558730535 /nfs/dbraw/zinc/73/05/35/558730535.db2.gz MXLZLESGQJFXCR-UHFFFAOYSA-N 0 0 419.959 4.765 50 0 HJAARN Cc1cc(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)c(C)n1Cc1ccco1 ZINC000030546846 558732370 /nfs/dbraw/zinc/73/23/70/558732370.db2.gz IUCHJGDVFMUHBD-UHFFFAOYSA-N 0 0 416.525 4.538 50 0 HJAARN Cn1c(Cl)c(Cl)cc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000030586030 558733566 /nfs/dbraw/zinc/73/35/66/558733566.db2.gz SEHKABOLBTZUBH-UHFFFAOYSA-N 0 0 404.301 4.569 50 0 HJAARN Cc1c(CCNC(=O)c2ccccc2Cl)sc2nc(-c3ccc(C)cc3)nn12 ZINC000004570207 558734855 /nfs/dbraw/zinc/73/48/55/558734855.db2.gz KZQDPEJTXAMNLU-UHFFFAOYSA-N 0 0 410.930 4.701 50 0 HJAARN Cc1c(CCNC(=O)CCCc2ccccc2)sc2nc(-c3ccc(F)cc3)nn12 ZINC000004570268 558735097 /nfs/dbraw/zinc/73/50/97/558735097.db2.gz KLINDVBNXNWEBP-UHFFFAOYSA-N 0 0 422.529 4.587 50 0 HJAARN O=C(CN[C@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(Br)cc1 ZINC000015358496 558735618 /nfs/dbraw/zinc/73/56/18/558735618.db2.gz AFMMGAYMLJFMHN-IBGZPJMESA-N 0 0 419.319 4.967 50 0 HJAARN COc1ccc(C)cc1[C@@H](C)NC(=O)CCC(=O)CCC(=O)c1ccc(C)s1 ZINC000030673284 558735667 /nfs/dbraw/zinc/73/56/67/558735667.db2.gz GYEPAYGLLLDYHS-MRXNPFEDSA-N 0 0 401.528 4.563 50 0 HJAARN Cc1cccc(-c2noc([C@@H]3CCCN3C(=O)c3ccc(Br)cc3)n2)c1 ZINC000004572774 558744398 /nfs/dbraw/zinc/74/43/98/558744398.db2.gz 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CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000011084080 558753896 /nfs/dbraw/zinc/75/38/96/558753896.db2.gz PFMYQEBCSSVDPN-UHFFFAOYSA-N 0 0 422.941 4.981 50 0 HJAARN Cc1ccccc1Cn1cc(/C=c2\sc3nc4ccccc4n3c2=O)c2ccccc21 ZINC000015800546 558754034 /nfs/dbraw/zinc/75/40/34/558754034.db2.gz SQZPKDJIKQBMET-OYKKKHCWSA-N 0 0 421.525 4.768 50 0 HJAARN COc1ccc(-c2nc(CNC(=O)COc3cc(C)ccc3C(C)C)cs2)cc1 ZINC000015832751 558755535 /nfs/dbraw/zinc/75/55/35/558755535.db2.gz BELOSROBAGOGCU-UHFFFAOYSA-N 0 0 410.539 4.946 50 0 HJAARN CC1CCN([C@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)c2ccco2)CC1 ZINC000015860076 558757935 /nfs/dbraw/zinc/75/79/35/558757935.db2.gz FDQNNNZJWGTYID-LJQANCHMSA-N 0 0 413.905 4.791 50 0 HJAARN CCSc1nnc2c(n1)O[C@H](c1ccc(F)cc1)N(C(=O)CC)c1ccccc1-2 ZINC000032997202 558758441 /nfs/dbraw/zinc/75/84/41/558758441.db2.gz QCZAMIPCPCQFAT-HXUWFJFHSA-N 0 0 410.474 4.624 50 0 HJAARN CSc1nnc2c(n1)O[C@@H](c1ccccc1C)N(C(C)=O)c1ccc(Cl)cc1-2 ZINC000032998217 558759253 /nfs/dbraw/zinc/75/92/53/558759253.db2.gz LBPUDDVDHBEGLX-IBGZPJMESA-N 0 0 412.902 4.666 50 0 HJAARN COc1ccc(C(=O)Nc2cc(NC(=O)c3ccc(C)c(F)c3)ccc2OC)cc1 ZINC000032998348 558759299 /nfs/dbraw/zinc/75/92/99/558759299.db2.gz UUOKPAVXTGRWLG-UHFFFAOYSA-N 0 0 408.429 4.656 50 0 HJAARN CCc1cc(Sc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)n2ncnc2n1 ZINC000033114882 558761062 /nfs/dbraw/zinc/76/10/62/558761062.db2.gz DDILJEGFQNEPMW-UHFFFAOYSA-N 0 0 409.902 4.744 50 0 HJAARN CCc1cc([C@H]2CCCN2C(=O)c2cc(-c3ccc(Br)cc3)on2)on1 ZINC000033269922 558763349 /nfs/dbraw/zinc/76/33/49/558763349.db2.gz AJJJHDXPLPSDIN-MRXNPFEDSA-N 0 0 416.275 4.632 50 0 HJAARN Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000004580695 558766959 /nfs/dbraw/zinc/76/69/59/558766959.db2.gz DAHOQQJVMTXVBJ-UHFFFAOYSA-N 0 0 405.237 4.752 50 0 HJAARN O=C(C[C@H]([NH2+]CCC1=CCCCC1)C(=O)[O-])Nc1ccc(Oc2ccccc2)cc1 ZINC000033475214 558769158 /nfs/dbraw/zinc/76/91/58/558769158.db2.gz INSQLYCAADIDTE-QFIPXVFZSA-N 0 0 408.498 4.741 50 0 HJAARN Cc1ccccc1OCCn1cc(-c2cnn(CCOc3ccccc3C)c2)cn1 ZINC000016046757 558770555 /nfs/dbraw/zinc/77/05/55/558770555.db2.gz DRQXKHXKIPSJQU-UHFFFAOYSA-N 0 0 402.498 4.521 50 0 HJAARN CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3nnc(-c4cc(C)cc(C)c4)o3)ccc21 ZINC000016132862 558773181 /nfs/dbraw/zinc/77/31/81/558773181.db2.gz HVHQNSXCDGCRQX-HNNXBMFYSA-N 0 0 421.522 4.626 50 0 HJAARN COc1ccc(NC(=O)COC(=O)c2ccc(-c3ccccc3)nc2C)cc1Cl ZINC000016166169 558775173 /nfs/dbraw/zinc/77/51/73/558775173.db2.gz RLKALKYZJZFFLI-UHFFFAOYSA-N 0 0 410.857 4.515 50 0 HJAARN CCn1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c2ccccc21 ZINC000016162958 558775215 /nfs/dbraw/zinc/77/52/15/558775215.db2.gz PPBYDGDDOVAIGK-NDENLUEZSA-N 0 0 419.506 4.645 50 0 HJAARN COc1ccc(OC)c(C(=O)Nc2ccc(Br)cc2C(F)(F)F)c1 ZINC000072310505 558777405 /nfs/dbraw/zinc/77/74/05/558777405.db2.gz GBCRCFOYNFGKGV-UHFFFAOYSA-N 0 0 404.182 4.737 50 0 HJAARN COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000016248868 558780900 /nfs/dbraw/zinc/78/09/00/558780900.db2.gz BWDRDVHYVJQWBO-QWXHOCAMSA-N 0 0 406.607 4.566 50 0 HJAARN CC(=O)Nc1cccc2c1C(=O)N(c1cccc(Oc3ccc(C)c(C)c3)c1)C2=O ZINC000004955112 558781286 /nfs/dbraw/zinc/78/12/86/558781286.db2.gz HDNAZTMABXWEDZ-UHFFFAOYSA-N 0 0 400.434 4.855 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1[C@@H](NC(=O)Nc1cccnc1Cl)C(F)(F)F ZINC000072311237 558782432 /nfs/dbraw/zinc/78/24/32/558782432.db2.gz VLOYFNGJSNUWCS-MRXNPFEDSA-N 0 0 423.826 4.963 50 0 HJAARN NC(=O)COc1cc2c(cc1-c1ccccc1)oc(=O)cc2-c1cc2ccccc2o1 ZINC000004586251 558782938 /nfs/dbraw/zinc/78/29/38/558782938.db2.gz QEVPKUKJUDGYQK-UHFFFAOYSA-N 0 0 411.413 4.737 50 0 HJAARN CC(C)c1ccccc1NC(=O)CN1C(=O)C(c2ccccc2)=NC12CCC(C)CC2 ZINC000071327930 558783451 /nfs/dbraw/zinc/78/34/51/558783451.db2.gz CITCFTHUTWTINZ-UHFFFAOYSA-N 0 0 417.553 4.986 50 0 HJAARN Cc1ccc(C(=O)NC[C@@H](C)Nc2ccccc2)cc1NC(=O)c1ccccc1F ZINC000072311613 558788488 /nfs/dbraw/zinc/78/84/88/558788488.db2.gz YYWKBQINZCRHJP-QGZVFWFLSA-N 0 0 405.473 4.617 50 0 HJAARN CCOC(=O)C1CCC(CNC(=O)N2CCCCC[C@H]2c2ccc(C)cc2)CC1 ZINC000035561800 558793626 /nfs/dbraw/zinc/79/36/26/558793626.db2.gz SAUXUQCNSWXSIO-VTLFHKLASA-N 0 0 400.563 4.991 50 0 HJAARN Cc1nc(Nc2ccc(NC(=O)Nc3cccc(F)c3C)cc2)cc(-n2ccnc2)n1 ZINC000035598148 558793907 /nfs/dbraw/zinc/79/39/07/558793907.db2.gz PYGKJSCITFAQKA-UHFFFAOYSA-N 0 0 417.448 4.806 50 0 HJAARN Cc1c2cc(Br)ccc2oc1C(=O)Nc1nc(CN2CCCC2)cs1 ZINC000032978584 558803524 /nfs/dbraw/zinc/80/35/24/558803524.db2.gz CSMFCIGTVNMXIG-UHFFFAOYSA-N 0 0 420.332 4.808 50 0 HJAARN Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1)C(C)C ZINC000032983504 558804628 /nfs/dbraw/zinc/80/46/28/558804628.db2.gz KLHSSIWQQSXYND-HNAYVOBHSA-N 0 0 406.448 4.646 50 0 HJAARN CCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)cc1OCC ZINC000016751078 558804665 /nfs/dbraw/zinc/80/46/65/558804665.db2.gz BNKRYTDHDRBCEQ-QFIPXVFZSA-N 0 0 421.493 4.936 50 0 HJAARN O=C(NCc1ccccc1F)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)O2 ZINC000032984008 558805107 /nfs/dbraw/zinc/80/51/07/558805107.db2.gz CSJGUZBWJCEEKV-SRZZPIQSSA-N 0 0 422.843 4.781 50 0 HJAARN Ic1ccc(Nc2ccc(I)cc2)cc1 ZINC000037594112 558805672 /nfs/dbraw/zinc/80/56/72/558805672.db2.gz SJLIWXXAQHNDHM-UHFFFAOYSA-N 0 0 421.019 4.639 50 0 HJAARN O=S1(=O)c2ccccc2N[C@@H](c2ccccc2Cl)N1Cc1ccc(F)cc1 ZINC000032986822 558806775 /nfs/dbraw/zinc/80/67/75/558806775.db2.gz MRUSQUNZZIECMU-HXUWFJFHSA-N 0 0 402.878 4.794 50 0 HJAARN COc1ccc(CN2[C@H](c3ccc(Cl)cc3)Nc3ccccc3S2(=O)=O)cc1 ZINC000032986920 558806900 /nfs/dbraw/zinc/80/69/00/558806900.db2.gz OYCYFVBGWSKQRN-OAQYLSRUSA-N 0 0 414.914 4.664 50 0 HJAARN O=S1(=O)c2ccccc2N[C@H](c2cccc(F)c2)N1CCc1ccc(Cl)cc1 ZINC000032986954 558806937 /nfs/dbraw/zinc/80/69/37/558806937.db2.gz DLHGPMJZPZWUSX-NRFANRHFSA-N 0 0 416.905 4.837 50 0 HJAARN Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(F)cc4)cc23)cc1C ZINC000016841441 558808189 /nfs/dbraw/zinc/80/81/89/558808189.db2.gz WHGYQVQSAILWSC-UHFFFAOYSA-N 0 0 406.486 4.883 50 0 HJAARN O=C(CSc1nccn2nc(-c3ccc(F)cc3)cc12)Nc1ccc(Cl)cc1 ZINC000016841214 558808210 /nfs/dbraw/zinc/80/82/10/558808210.db2.gz ZUXOTRRAJDAKPQ-UHFFFAOYSA-N 0 0 412.877 4.920 50 0 HJAARN CCc1ccccc1NC(=O)CSc1nccn2nc(-c3ccccc3OC)cc12 ZINC000016842069 558808347 /nfs/dbraw/zinc/80/83/47/558808347.db2.gz RVXMLQMMHCMPOL-UHFFFAOYSA-N 0 0 418.522 4.698 50 0 HJAARN NC(=O)NCc1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000032991100 558809124 /nfs/dbraw/zinc/80/91/24/558809124.db2.gz WMBCENYCQHZCBP-UHFFFAOYSA-N 0 0 403.526 4.575 50 0 HJAARN COc1ccccc1NC(=O)Nc1nnc(CSCc2cccc(C)c2)s1 ZINC000016944259 558809634 /nfs/dbraw/zinc/80/96/34/558809634.db2.gz JPSZNRFPYGRGCF-UHFFFAOYSA-N 0 0 400.529 4.933 50 0 HJAARN CNC(=O)COc1ccc(Nc2nnc(-c3ccc(Cl)cc3)c3ccccc32)cc1 ZINC000016945613 558809669 /nfs/dbraw/zinc/80/96/69/558809669.db2.gz DQGCBKDGXDTYHH-UHFFFAOYSA-N 0 0 418.884 4.819 50 0 HJAARN CCc1c(C)nc2ncnn2c1Sc1ccccc1NC(=O)c1ccccc1C ZINC000032995753 558810056 /nfs/dbraw/zinc/81/00/56/558810056.db2.gz BXERGYPTWHURMF-UHFFFAOYSA-N 0 0 403.511 4.707 50 0 HJAARN COc1cccc(Nc2nc(N3CCCCC3)nc3c2cnn3-c2ccccc2)c1 ZINC000016960502 558810519 /nfs/dbraw/zinc/81/05/19/558810519.db2.gz XCGXNRKHLVJWJJ-UHFFFAOYSA-N 0 0 400.486 4.558 50 0 HJAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)N1CCC[C@H](C)C1 ZINC000017082551 558814681 /nfs/dbraw/zinc/81/46/81/558814681.db2.gz PHXNGPFHUWKNEL-HNNXBMFYSA-N 0 0 402.585 4.944 50 0 HJAARN Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000017083339 558815893 /nfs/dbraw/zinc/81/58/93/558815893.db2.gz XQDLIZUHBWFDEL-ZIAGYGMSSA-N 0 0 406.313 4.535 50 0 HJAARN CCCCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(OC)cc3)o2)cc1 ZINC000017089579 558818252 /nfs/dbraw/zinc/81/82/52/558818252.db2.gz LAHCGGNXLLKCBV-UHFFFAOYSA-N 0 0 413.499 4.655 50 0 HJAARN Cc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)NC4CCCCC4)cc3)n2)cc1 ZINC000032999052 558819901 /nfs/dbraw/zinc/81/99/01/558819901.db2.gz OWNUFFRCQULXFT-UHFFFAOYSA-N 0 0 419.550 4.755 50 0 HJAARN COC(=O)c1cc(C)sc1NC(=S)Nc1ccn(Cc2ccc(Cl)cc2)n1 ZINC000017092541 558821052 /nfs/dbraw/zinc/82/10/52/558821052.db2.gz GGBJCBGPPLLPSB-UHFFFAOYSA-N 0 0 420.947 4.550 50 0 HJAARN Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)[C@@]21S[C@@H](C)C(=O)N1c1ccc(F)cc1 ZINC000017093152 558821503 /nfs/dbraw/zinc/82/15/03/558821503.db2.gz HQDGNQITBQJHIH-OWJWWREXSA-N 0 0 422.525 4.998 50 0 HJAARN Cc1nn(-c2nc(CC(=O)Nc3ccc(F)cc3)cs2)c(C)c1CCC(C)C ZINC000033004595 558827273 /nfs/dbraw/zinc/82/72/73/558827273.db2.gz MOANNPIYANKRSS-UHFFFAOYSA-N 0 0 400.523 4.855 50 0 HJAARN CC(=O)Nc1nc2ccc(NC(=O)Nc3ccc(Br)cc3)cc2s1 ZINC000033008138 558828820 /nfs/dbraw/zinc/82/88/20/558828820.db2.gz YSWCTXKIJCZEEM-UHFFFAOYSA-N 0 0 405.277 4.661 50 0 HJAARN O=C(NCc1ccccc1)Nc1cc(NC(=O)c2ccccc2)ccc1N1CCCC1 ZINC000033009457 558829335 /nfs/dbraw/zinc/82/93/35/558829335.db2.gz FSPVJCRSWVQVHY-UHFFFAOYSA-N 0 0 414.509 4.861 50 0 HJAARN Cc1ccc(CNC(=O)c2cccc(Nc3cc(-c4cccc(F)c4)ncn3)c2)o1 ZINC000033010613 558829830 /nfs/dbraw/zinc/82/98/30/558829830.db2.gz ZNQAKHKUTAZNFK-UHFFFAOYSA-N 0 0 402.429 4.858 50 0 HJAARN Cc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2cccc(Cl)c2Cl)cc1 ZINC000018094062 558831059 /nfs/dbraw/zinc/83/10/59/558831059.db2.gz YSVIDPKPWIMCQQ-QGZVFWFLSA-N 0 0 406.338 4.733 50 0 HJAARN Cc1ccc(-c2noc(-c3cccc(OCC(=O)Nc4ccc(F)cc4)c3)n2)cc1 ZINC000033012345 558832173 /nfs/dbraw/zinc/83/21/73/558832173.db2.gz RENQGABLYSQWTL-UHFFFAOYSA-N 0 0 403.413 4.869 50 0 HJAARN O=C(Nc1ccccc1C(F)(F)F)c1ccccc1N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000018148920 558832285 /nfs/dbraw/zinc/83/22/85/558832285.db2.gz KHQSPRMCVPPRPQ-OKILXGFUSA-N 0 0 416.399 4.637 50 0 HJAARN C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[C@@H]21 ZINC000018155497 558832287 /nfs/dbraw/zinc/83/22/87/558832287.db2.gz RMJVWSPVBRUOST-ZNZDAUKMSA-N 0 0 412.283 4.943 50 0 HJAARN COc1cccc(NC(=O)c2ccccc2OCc2nc(-c3ccccc3)no2)c1 ZINC000033012837 558832592 /nfs/dbraw/zinc/83/25/92/558832592.db2.gz LDKPPJFLWKFGQH-UHFFFAOYSA-N 0 0 401.422 4.577 50 0 HJAARN O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1)Nc1cccnc1 ZINC000033013609 558833301 /nfs/dbraw/zinc/83/33/01/558833301.db2.gz GNBCYZWVGVOXKG-UHFFFAOYSA-N 0 0 421.913 4.714 50 0 HJAARN COc1ccc(Br)cc1C(=O)CCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000033018874 558834809 /nfs/dbraw/zinc/83/48/09/558834809.db2.gz NUHKTKPYXQFPQQ-UHFFFAOYSA-N 0 0 420.347 4.506 50 0 HJAARN O=C(Oc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1)c1ccco1 ZINC000001005508 558836111 /nfs/dbraw/zinc/83/61/11/558836111.db2.gz KMIRERAYPUOVDY-AQTBWJFISA-N 0 0 407.472 4.905 50 0 HJAARN O=C(Nc1ccc(Br)c(C(F)(F)F)c1)[C@H]1CC(=O)Nc2ccccc21 ZINC000010642676 558836256 /nfs/dbraw/zinc/83/62/56/558836256.db2.gz SDFDRUXFBPEBHE-NSHDSACASA-N 0 0 413.193 4.532 50 0 HJAARN COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)Nc1cccc(F)c1 ZINC000046006549 558838893 /nfs/dbraw/zinc/83/88/93/558838893.db2.gz RWAXKTNWFIMTIH-UHFFFAOYSA-N 0 0 418.472 4.756 50 0 HJAARN Cn1c2cc(NC(=O)Nc3cc(F)ccc3F)c(Oc3ccccc3)cc2n(C)c1=O ZINC000046009475 558839021 /nfs/dbraw/zinc/83/90/21/558839021.db2.gz ORDUJKKMMRODIJ-UHFFFAOYSA-N 0 0 424.407 4.592 50 0 HJAARN Cc1cccc(NC(=O)Cc2c(C)nc3nc(-c4ccc(Cl)cc4)nn3c2C)c1 ZINC000046023787 558839201 /nfs/dbraw/zinc/83/92/01/558839201.db2.gz HMGLLEMRAGVNNF-UHFFFAOYSA-N 0 0 405.889 4.551 50 0 HJAARN Cc1nc2nc(-c3cccs3)nn2c(C)c1CC(=O)Nc1cccc(Cl)c1C ZINC000046023996 558839342 /nfs/dbraw/zinc/83/93/42/558839342.db2.gz LKYDBKMWTKVADM-UHFFFAOYSA-N 0 0 411.918 4.613 50 0 HJAARN O=C(Nc1cc(-c2nc3cc(Br)ccc3[nH]2)ccc1Cl)[C@@H]1CCCO1 ZINC000072313713 558840902 /nfs/dbraw/zinc/84/09/02/558840902.db2.gz MOJTYGJFMYRRRS-INIZCTEOSA-N 0 0 420.694 4.763 50 0 HJAARN CN(CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(Cl)cc1Cl ZINC000004607387 558847758 /nfs/dbraw/zinc/84/77/58/558847758.db2.gz DFMDVBSSKBVNNF-LJQANCHMSA-N 0 0 413.345 4.839 50 0 HJAARN O=c1c(Cl)c(NCc2ccc(Oc3ccccc3)nc2)cnn1-c1ccccc1 ZINC000060333603 558849153 /nfs/dbraw/zinc/84/91/53/558849153.db2.gz MUWZHMVDBGGVKY-UHFFFAOYSA-N 0 0 404.857 4.685 50 0 HJAARN C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000013689585 558855413 /nfs/dbraw/zinc/85/54/13/558855413.db2.gz BPUGHZMUSVNPKN-AOCRQIFASA-N 0 0 413.562 4.546 50 0 HJAARN COc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)c4ccccn4)ccc3c2C)c1 ZINC000013691759 558855918 /nfs/dbraw/zinc/85/59/18/558855918.db2.gz RFWUSNKOJMKNAK-UHFFFAOYSA-N 0 0 416.433 4.637 50 0 HJAARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)Cc1ccccc1Cl ZINC000013708841 558858047 /nfs/dbraw/zinc/85/80/47/558858047.db2.gz VNSGIHRKWJTOMA-UHFFFAOYSA-N 0 0 417.896 4.837 50 0 HJAARN O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccccc1OC[C@H]1CCCO1 ZINC000022192268 558864458 /nfs/dbraw/zinc/86/44/58/558864458.db2.gz FDNVFNSRBAVUMI-QGZVFWFLSA-N 0 0 422.506 4.555 50 0 HJAARN O=C(NCc1ccccc1C(F)(F)F)c1c[nH]nc1-c1cccc(Br)c1 ZINC000072329065 558864716 /nfs/dbraw/zinc/86/47/16/558864716.db2.gz QDFWYUQMWCNXBX-UHFFFAOYSA-N 0 0 424.220 4.788 50 0 HJAARN COc1cc(C(C)=O)ccc1OC(=O)c1cc2c(C)nn(-c3cccc(F)c3)c2s1 ZINC000033069268 558866012 /nfs/dbraw/zinc/86/60/12/558866012.db2.gz CKVFEBBBSOJRTR-UHFFFAOYSA-N 0 0 424.453 4.965 50 0 HJAARN Cc1ccc(Cn2c(CCCC(=O)NCc3cccc(C)c3)nc3cccnc32)cc1 ZINC000033072679 558867027 /nfs/dbraw/zinc/86/70/27/558867027.db2.gz ZPNLNFAPSMCUKQ-UHFFFAOYSA-N 0 0 412.537 4.736 50 0 HJAARN CCn1c(NC(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)nc2ccccc21 ZINC000010652068 558867118 /nfs/dbraw/zinc/86/71/18/558867118.db2.gz BVEPTYTWBSHAFR-UHFFFAOYSA-N 0 0 422.510 4.758 50 0 HJAARN O=C(CCCc1nc2cccnc2n1Cc1ccc(F)cc1)Nc1ccccc1F ZINC000033072760 558867208 /nfs/dbraw/zinc/86/72/08/558867208.db2.gz RFWQRZJBYIVJCX-UHFFFAOYSA-N 0 0 406.436 4.719 50 0 HJAARN O=C(CCCc1nc2cccnc2n1Cc1ccc(F)cc1)Nc1cccc(F)c1 ZINC000033072762 558867260 /nfs/dbraw/zinc/86/72/60/558867260.db2.gz MGKJIAFFDSICTC-UHFFFAOYSA-N 0 0 406.436 4.719 50 0 HJAARN CCc1cc2c(ncnc2N2CCC[C@@H](C(=O)Nc3ccc(F)cc3Cl)C2)s1 ZINC000033078265 558867716 /nfs/dbraw/zinc/86/77/16/558867716.db2.gz XMWJLYPFHTZIDK-GFCCVEGCSA-N 0 0 418.925 4.901 50 0 HJAARN Cc1ccc(C(=O)Nc2ccc(N3CC[NH+]([C@@H](C)CC(C)C)CC3)c(C(=O)[O-])c2)cc1 ZINC000033078677 558868096 /nfs/dbraw/zinc/86/80/96/558868096.db2.gz PGVPBRKTHXWOKU-IBGZPJMESA-N 0 0 423.557 4.502 50 0 HJAARN CCCCOc1ccccc1-c1cc(C(=O)NCc2ccc(OC(C)C)cc2)[nH]n1 ZINC000072331609 558868240 /nfs/dbraw/zinc/86/82/40/558868240.db2.gz IBXNRXJEGCODRG-UHFFFAOYSA-N 0 0 407.514 4.973 50 0 HJAARN CCc1ccc(NC(=O)N2CCN(Cc3nc(-c4ccc(C)cc4)oc3C)CC2)cc1 ZINC000033085147 558869183 /nfs/dbraw/zinc/86/91/83/558869183.db2.gz MDEXUDQGDAPCQH-UHFFFAOYSA-N 0 0 418.541 4.871 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C ZINC000033088673 558871721 /nfs/dbraw/zinc/87/17/21/558871721.db2.gz YYIUJHKRDNCDIZ-UHFFFAOYSA-N 0 0 412.898 4.706 50 0 HJAARN Cc1cccc(-n2cc(CN(C)[C@@H](C)c3ccncn3)c(-c3cccc(F)c3)n2)c1 ZINC000055385834 558880839 /nfs/dbraw/zinc/88/08/39/558880839.db2.gz GAZSZYRSNSFEFV-SFHVURJKSA-N 0 0 401.489 4.970 50 0 HJAARN O=C(Nc1ccccc1Cl)N[C@@H](C(=O)N1CCc2ccccc21)c1ccccc1 ZINC000033127813 558881062 /nfs/dbraw/zinc/88/10/62/558881062.db2.gz IKTDXAOYLHNTAM-OAQYLSRUSA-N 0 0 405.885 4.792 50 0 HJAARN CCOc1ccccc1NC(=O)N[C@H](C(=O)N1CCc2ccccc21)c1ccccc1 ZINC000033127850 558881184 /nfs/dbraw/zinc/88/11/84/558881184.db2.gz HKKLGOZLPIKDNV-QHCPKHFHSA-N 0 0 415.493 4.537 50 0 HJAARN Cc1ccc(C)c(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCc3ccccc32)c1 ZINC000033127947 558881393 /nfs/dbraw/zinc/88/13/93/558881393.db2.gz BTJOAYDUHYBSEC-QHCPKHFHSA-N 0 0 413.521 4.626 50 0 HJAARN CCc1ccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCc3ccccc32)cc1 ZINC000033127938 558881430 /nfs/dbraw/zinc/88/14/30/558881430.db2.gz ARZFTMLFPRJPPP-HSZRJFAPSA-N 0 0 413.521 4.571 50 0 HJAARN Cc1ccc(-n2nc(SCC(=O)Nc3ccc(C(C)C)cc3)ccc2=O)cc1C ZINC000033128034 558881628 /nfs/dbraw/zinc/88/16/28/558881628.db2.gz NYSXOUAKEQQOGK-UHFFFAOYSA-N 0 0 407.539 4.704 50 0 HJAARN Cc1sc2ncnc(N3CCN(Cc4ccc(Cl)cc4Cl)CC3)c2c1C ZINC000055512685 558881781 /nfs/dbraw/zinc/88/17/81/558881781.db2.gz SDHRSIQEPMCVOS-UHFFFAOYSA-N 0 0 407.370 4.937 50 0 HJAARN Cc1cccc(NC(=O)[C@@H](C)Sc2ccc(=O)n(-c3ccc(C)c(Cl)c3)n2)c1 ZINC000033128226 558881949 /nfs/dbraw/zinc/88/19/49/558881949.db2.gz INTFCAXQUJDYJW-OAHLLOKOSA-N 0 0 413.930 4.622 50 0 HJAARN COc1ccc(OC)c(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)c1 ZINC000033128721 558882663 /nfs/dbraw/zinc/88/26/63/558882663.db2.gz FEVGDPONHJKMAU-UHFFFAOYSA-N 0 0 417.465 4.551 50 0 HJAARN Cc1ccc(NC(=O)NCCC2CCN(C(=O)NC3CCCCC3)CC2)c(C)c1 ZINC000033125847 558883582 /nfs/dbraw/zinc/88/35/82/558883582.db2.gz BPNNJBDGVLGRMG-UHFFFAOYSA-N 0 0 400.567 4.569 50 0 HJAARN Cc1ccc(C)c(NC(=O)NCCC2CCN(C(=O)NC3CCCCC3)CC2)c1 ZINC000033125837 558883641 /nfs/dbraw/zinc/88/36/41/558883641.db2.gz CPDQSAHISLFASB-UHFFFAOYSA-N 0 0 400.567 4.569 50 0 HJAARN O=C(Nc1ccc2c(c1)OCO2)Nc1cccc(CCc2nc3ccccc3[nH]2)c1 ZINC000033126383 558884045 /nfs/dbraw/zinc/88/40/45/558884045.db2.gz LNCXBVUKMHMFNP-UHFFFAOYSA-N 0 0 400.438 4.721 50 0 HJAARN Cc1ccccc1Cc1c(C)nc2c(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)cnn2c1C ZINC000004671798 558885836 /nfs/dbraw/zinc/88/58/36/558885836.db2.gz VXSFXBRUEVXBSD-LPXYKDPNSA-N 0 0 404.558 4.800 50 0 HJAARN COc1ccc(Nc2nc(C(=O)N3CCC(Cc4ccccc4)CC3)cs2)cc1 ZINC000004674570 558886375 /nfs/dbraw/zinc/88/63/75/558886375.db2.gz RLFMPCOUBPSGRX-UHFFFAOYSA-N 0 0 407.539 4.990 50 0 HJAARN COc1cccc(CNC(=O)c2cccc(-c3ccc(Oc4ccccc4)nn3)c2)c1 ZINC000033131107 558887521 /nfs/dbraw/zinc/88/75/21/558887521.db2.gz APLOQKUSWZLGJD-UHFFFAOYSA-N 0 0 411.461 4.875 50 0 biogenic HJAARN Cc1nn(-c2ccc(F)cc2)c2c1c(=O)c(C(=O)Nc1ccc(C(C)C)cc1)cn2C ZINC000033131110 558887583 /nfs/dbraw/zinc/88/75/83/558887583.db2.gz REAVRTPIFKXGHO-UHFFFAOYSA-N 0 0 418.472 4.547 50 0 HJAARN Cc1[nH]nc2c1[C@H](c1ccc(Cl)cc1)N(c1ccc(Br)cc1)C2=O ZINC000004625136 558888425 /nfs/dbraw/zinc/88/84/25/558888425.db2.gz ITRGQJSRIAIABD-KRWDZBQOSA-N 0 0 402.679 4.884 50 0 HJAARN Cc1[nH]nc2c1[C@@H](c1ccc(Cl)cc1)N(c1ccc(Br)cc1)C2=O ZINC000004625134 558888465 /nfs/dbraw/zinc/88/84/65/558888465.db2.gz ITRGQJSRIAIABD-QGZVFWFLSA-N 0 0 402.679 4.884 50 0 HJAARN Cc1nc(SCC(=O)Nc2ccc(OC(F)(F)Cl)cc2)[nH]c1CC(C)C ZINC000004625819 558889479 /nfs/dbraw/zinc/88/94/79/558889479.db2.gz NJIHZVKFGYGBFC-UHFFFAOYSA-N 0 0 403.882 4.815 50 0 HJAARN Clc1ccccc1OCc1nn2c(nnc2C23CC4CC(CC(C4)C2)C3)s1 ZINC000072333572 558891894 /nfs/dbraw/zinc/89/18/94/558891894.db2.gz DUSVOGPOZPHLTN-UHFFFAOYSA-N 0 0 400.935 4.886 50 0 HJAARN CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccc(C)cc1 ZINC000004682013 558894906 /nfs/dbraw/zinc/89/49/06/558894906.db2.gz MVZOXJSFFWQZQY-UHFFFAOYSA-N 0 0 409.540 4.614 50 0 HJAARN O=c1c2cnc3nc(C4CCCCC4)nn3c2ccn1-c1ccc(Cl)c(Cl)c1 ZINC000071375981 558897111 /nfs/dbraw/zinc/89/71/11/558897111.db2.gz QTBKEZLJNWVFLY-UHFFFAOYSA-N 0 0 414.296 4.783 50 0 HJAARN Cc1sc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000033173725 558901808 /nfs/dbraw/zinc/90/18/08/558901808.db2.gz ACHDLOJNMSHEGG-UHFFFAOYSA-N 0 0 416.446 4.551 50 0 HJAARN Cc1sc(-c2cc(C(F)(F)F)[nH]n2)cc1S(=O)(=O)Nc1ccccc1C ZINC000033173825 558902100 /nfs/dbraw/zinc/90/21/00/558902100.db2.gz KZOJBPQMIPOLIH-UHFFFAOYSA-N 0 0 401.435 4.575 50 0 HJAARN O=C(CSc1nnc(-c2ccccc2F)n1Cc1ccccc1)Nc1ccccc1 ZINC000058158669 558903747 /nfs/dbraw/zinc/90/37/47/558903747.db2.gz FGRFJUIFPARBHU-UHFFFAOYSA-N 0 0 418.497 4.863 50 0 HJAARN CSc1nc(C)c(CCC(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)c(C)n1 ZINC000058161423 558905562 /nfs/dbraw/zinc/90/55/62/558905562.db2.gz WHGDYASTLZLGIR-UHFFFAOYSA-N 0 0 408.527 4.882 50 0 HJAARN O=C(Nc1ccccc1C(=O)NCc1ccco1)/C(=C/c1ccco1)c1ccccc1 ZINC000004698916 558907004 /nfs/dbraw/zinc/90/70/04/558907004.db2.gz PQNILYNSHMCJOV-CJLVFECKSA-N 0 0 412.445 4.982 50 0 HJAARN COc1ccc(CCCc2nnc(SCC(=O)Nc3cccc(C)c3)o2)cc1C ZINC000004699583 558907411 /nfs/dbraw/zinc/90/74/11/558907411.db2.gz RVXURVGCKJWERZ-UHFFFAOYSA-N 0 0 411.527 4.601 50 0 HJAARN CC[C@@H](NC(=O)N(Cc1ccc(C(=O)NC)cc1)C1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000058203049 558911697 /nfs/dbraw/zinc/91/16/97/558911697.db2.gz FGGXUXHVUXUIMR-MCADVSAISA-N 0 0 423.601 4.715 50 0 HJAARN COc1ccc(S(=O)(=O)N(c2ccc3[nH]ccc3c2)[C@H](C)CC(C)C)cc1OC ZINC000058202926 558911710 /nfs/dbraw/zinc/91/17/10/558911710.db2.gz KRUXGOXUDDQVMH-MRXNPFEDSA-N 0 0 416.543 4.815 50 0 HJAARN Cc1cccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2C)c1 ZINC000004701009 558912357 /nfs/dbraw/zinc/91/23/57/558912357.db2.gz ZKWJCMRTYRNAHG-UHFFFAOYSA-N 0 0 410.477 4.994 50 0 HJAARN Cc1ccc(C(=O)Nc2cc3c(cc2C(=O)c2ccccc2Cl)OCCO3)cc1 ZINC000004703355 558912940 /nfs/dbraw/zinc/91/29/40/558912940.db2.gz RNXVJFNPNKCHIX-UHFFFAOYSA-N 0 0 407.853 4.903 50 0 HJAARN COCCOC(=O)c1c(C)n(Cc2ccc(OC)cc2)c2c1cc(O)c1ccccc21 ZINC000004708664 558914078 /nfs/dbraw/zinc/91/40/78/558914078.db2.gz RMNGZVVUCRTLOT-UHFFFAOYSA-N 0 0 419.477 4.669 50 0 HJAARN CCOc1cccc2c1O[C@@H](c1ccc(OC)c(OC)c1)N1N=C(c3ccco3)C[C@H]21 ZINC000004715671 558914925 /nfs/dbraw/zinc/91/49/25/558914925.db2.gz ZELCQWUTVKXZPG-KOSHJBKYSA-N 0 0 420.465 4.938 50 0 HJAARN CCCC[C@H](CC)C(=O)N(CCC)CC(=O)Nc1nnc(-c2cccc(C)c2)s1 ZINC000004717272 558915865 /nfs/dbraw/zinc/91/58/65/558915865.db2.gz QQITWVNNRRFGCX-KRWDZBQOSA-N 0 0 416.591 4.907 50 0 HJAARN O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000058297585 558917328 /nfs/dbraw/zinc/91/73/28/558917328.db2.gz MYZCAWKLSUJJHP-SFHVURJKSA-N 0 0 405.420 4.581 50 0 HJAARN C[C@@H](NC(=O)C1(NC(=O)OCc2ccccc2)CCCC1)c1ccccc1Cl ZINC000058300473 558917784 /nfs/dbraw/zinc/91/77/84/558917784.db2.gz XXDLTUDCZNBJTH-MRXNPFEDSA-N 0 0 400.906 4.756 50 0 HJAARN Cc1nc2cccnc2n1-c1cc(C(=O)NCc2ccccc2Cl)ccc1Cl ZINC000033249826 558918627 /nfs/dbraw/zinc/91/86/27/558918627.db2.gz ONBJNJPRLXZNPW-UHFFFAOYSA-N 0 0 411.292 4.966 50 0 HJAARN COC(=O)[C@H](c1cc(F)ccc1F)N(C)C(=O)c1oc2ccc(Cl)cc2c1C ZINC000058313869 558919056 /nfs/dbraw/zinc/91/90/56/558919056.db2.gz ZMPZVHYZCPOUEZ-KRWDZBQOSA-N 0 0 407.800 4.659 50 0 HJAARN O=S(=O)(c1ccc2nc(Nc3ccccc3Cl)ccc2c1)N1CCCCC1 ZINC000033250467 558919189 /nfs/dbraw/zinc/91/91/89/558919189.db2.gz HFYSBTBKMNVHGP-UHFFFAOYSA-N 0 0 401.919 4.806 50 0 HJAARN COc1ccc2[nH]c(C(=O)NCc3ccccc3C)c(NC(=O)c3ccccc3)c2c1 ZINC000033252549 558920811 /nfs/dbraw/zinc/92/08/11/558920811.db2.gz YFDMODIWBHXPFT-UHFFFAOYSA-N 0 0 413.477 4.667 50 0 HJAARN C[C@H]1CCCCN1C(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 ZINC000058364293 558921915 /nfs/dbraw/zinc/92/19/15/558921915.db2.gz VDURTIVYFDPAPW-AWEZNQCLSA-N 0 0 402.336 4.528 50 0 HJAARN Cc1noc(C)c1CN(C)C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 ZINC000046408039 558922556 /nfs/dbraw/zinc/92/25/56/558922556.db2.gz PBUGEVSFDGBOGK-UHFFFAOYSA-N 0 0 402.450 4.645 50 0 HJAARN CCN(CC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1)c1cccc(CO)c1 ZINC000058379247 558923021 /nfs/dbraw/zinc/92/30/21/558923021.db2.gz SFXGXHXLJVLJNV-UHFFFAOYSA-N 0 0 409.555 4.693 50 0 HJAARN O=C(Nc1ccc2c(c1)OCO2)c1ccc(Nc2ccc(-c3ccccc3)nn2)cc1 ZINC000033257028 558923981 /nfs/dbraw/zinc/92/39/81/558923981.db2.gz JXSQQLNNURMEAV-UHFFFAOYSA-N 0 0 410.433 4.868 50 0 HJAARN CCOC(=O)c1c(=O)[nH]c2ccc(Cl)cc2c1NCc1ccc(SC)cc1 ZINC000033256881 558923991 /nfs/dbraw/zinc/92/39/91/558923991.db2.gz UKBKNMXBWFGUOF-UHFFFAOYSA-N 0 0 402.903 4.692 50 0 HJAARN Cc1c(C(=O)Nc2cccnc2Oc2cccc(C)c2C)nnn1-c1ccc(F)cc1 ZINC000058406722 558924746 /nfs/dbraw/zinc/92/47/46/558924746.db2.gz PVLNIPSXDZPZCS-UHFFFAOYSA-N 0 0 417.444 4.771 50 0 HJAARN COc1ccc2nc(NC(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)sc2c1 ZINC000058406792 558924750 /nfs/dbraw/zinc/92/47/50/558924750.db2.gz ALVKGHZYZZCTGT-UHFFFAOYSA-N 0 0 418.400 4.762 50 0 HJAARN Cc1nc2cc(F)cc(C(=O)Oc3ccc(NC(=O)c4ccccc4)cc3)c2nc1C ZINC000058415889 558925210 /nfs/dbraw/zinc/92/52/10/558925210.db2.gz AVFOPVRCCAVWCH-UHFFFAOYSA-N 0 0 415.424 4.857 50 0 HJAARN Cc1ccnc(NC(=O)C2CCN(C(=O)c3cc(F)ccc3-c3ccccc3)CC2)c1 ZINC000058426881 558926184 /nfs/dbraw/zinc/92/61/84/558926184.db2.gz RHZUHMSRGCMKDL-UHFFFAOYSA-N 0 0 417.484 4.687 50 0 HJAARN CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CCC[C@H]3C(=O)Nc3nccs3)cc2C1 ZINC000058779514 558930040 /nfs/dbraw/zinc/93/00/40/558930040.db2.gz RYOKLJWBGKMFPV-CABCVRRESA-N 0 0 417.600 4.599 50 0 HJAARN CC(C)c1c(C(=O)Nc2ccc(CC(=O)N(C)C)cc2)cnn1-c1cccc(Cl)c1 ZINC000059303771 558933861 /nfs/dbraw/zinc/93/38/61/558933861.db2.gz VCNVOUVRFADZPM-UHFFFAOYSA-N 0 0 424.932 4.532 50 0 HJAARN Cc1ccc(Cn2c(CCNC(=O)Nc3ccc(C)cc3C)nc3cccnc32)cc1 ZINC000033263734 558949472 /nfs/dbraw/zinc/94/94/72/558949472.db2.gz NKMUVKCBWAWONK-UHFFFAOYSA-N 0 0 413.525 4.769 50 0 HJAARN Cc1ccc(C)c([C@H]2CC(=O)Nc3nc(SCc4ccccc4C)[nH]c(=O)c32)c1 ZINC000021784320 558949636 /nfs/dbraw/zinc/94/96/36/558949636.db2.gz JZDHONHWJGDOQD-GOSISDBHSA-N 0 0 405.523 4.874 50 0 HJAARN Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@@H](c2cc(C)ccc2C)CC(=O)N3)c1 ZINC000021784313 558949691 /nfs/dbraw/zinc/94/96/91/558949691.db2.gz AXAZYNVDCPQRQC-GOSISDBHSA-N 0 0 405.523 4.874 50 0 HJAARN Cc1cnc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)s1 ZINC000021805960 558951953 /nfs/dbraw/zinc/95/19/53/558951953.db2.gz MPKHJCHBCCJCQU-UHFFFAOYSA-N 0 0 421.551 4.738 50 0 HJAARN COC(=O)c1c2c(nc3ccccc31)/C(=C\c1cc(OC)c(OC)c(OC)c1)CC2 ZINC000060383004 558953714 /nfs/dbraw/zinc/95/37/14/558953714.db2.gz DNCGVWXMTZCZNU-PTNGSMBKSA-N 0 0 405.450 4.534 50 0 HJAARN Cc1ccc2[nH]cc(CCNC(=O)c3sc4ncccc4c3-n3cccc3)c2c1 ZINC000033059840 558954036 /nfs/dbraw/zinc/95/40/36/558954036.db2.gz JCKASPHLKGMQOY-UHFFFAOYSA-N 0 0 400.507 4.849 50 0 HJAARN COc1cc(/C=C2\NC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000096473321 558954206 /nfs/dbraw/zinc/95/42/06/558954206.db2.gz JPPKLTMBSUZHSO-MOSHPQCFSA-N 0 0 418.424 4.511 50 0 HJAARN O=C(CCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)Nc1cccc(Cl)c1 ZINC000033061421 558955047 /nfs/dbraw/zinc/95/50/47/558955047.db2.gz KKPUFWCBUMVURO-UHFFFAOYSA-N 0 0 421.309 4.669 50 0 HJAARN COc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccccc32)cc1Cl ZINC000064471851 558963618 /nfs/dbraw/zinc/96/36/18/558963618.db2.gz AVNKGBRINWZXQP-UHFFFAOYSA-N 0 0 413.930 4.829 50 0 HJAARN COc1ccc(Cl)cc1Nc1c(C(=O)N2CCSCC2)cnc2ccccc21 ZINC000064471847 558963627 /nfs/dbraw/zinc/96/36/27/558963627.db2.gz HPHDJRRXCUUADM-UHFFFAOYSA-N 0 0 413.930 4.829 50 0 HJAARN CCc1ccccc1N1C(=O)c2cc3ccsc3n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000064662045 558964894 /nfs/dbraw/zinc/96/48/94/558964894.db2.gz VPOVPEFDOLKNMY-DEOSSOPVSA-N 0 0 421.566 4.743 50 0 HJAARN COc1cccc(CNS(=O)(=O)c2ccc(-c3cnc(C4CCCC4)o3)s2)c1 ZINC000065004771 558969498 /nfs/dbraw/zinc/96/94/98/558969498.db2.gz UJFHSHBNDMFCKV-UHFFFAOYSA-N 0 0 418.540 4.548 50 0 HJAARN COc1ccc(/C=C\C(=O)Nc2ccc(Br)cc2Br)cc1 ZINC000096609457 558980631 /nfs/dbraw/zinc/98/06/31/558980631.db2.gz VDRGUZSQROONKR-WTKPLQERSA-N 0 0 411.093 4.872 50 0 HJAARN O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C/c1ccc(-c2nc3ccccc3s2)o1 ZINC000096635102 558982992 /nfs/dbraw/zinc/98/29/92/558982992.db2.gz LYDIFEYIGVOCLB-XNTDXEJSSA-N 0 0 416.414 4.630 50 0 HJAARN CC[C@H]1CN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CCO1 ZINC000072458285 558983022 /nfs/dbraw/zinc/98/30/22/558983022.db2.gz SHKRZCISPGZBOH-QFIPXVFZSA-N 0 0 401.510 4.955 50 0 HJAARN COc1cccc(-c2ccccc2NC(=O)C2CCN(Cc3nccs3)CC2)c1 ZINC000067458777 558986791 /nfs/dbraw/zinc/98/67/91/558986791.db2.gz CTEILAYEFODXDN-UHFFFAOYSA-N 0 0 407.539 4.669 50 0 HJAARN Cc1ccc(C)c(N2CCN(C(=O)c3sc4ncccc4c3-n3cccc3)CC2)c1 ZINC000033267641 558990140 /nfs/dbraw/zinc/99/01/40/558990140.db2.gz LJUGXEBFKNIECF-UHFFFAOYSA-N 0 0 416.550 4.666 50 0 HJAARN Cc1cccc(CN(C)C(=O)c2coc(COc3cccc4cccnc43)n2)c1C ZINC000067789907 558992960 /nfs/dbraw/zinc/99/29/60/558992960.db2.gz WYJLFZFSKPBMDZ-UHFFFAOYSA-N 0 0 401.466 4.691 50 0 HJAARN Cc1ccc2[nH]c(N3CCC(C(=O)N[C@H](C)C45CC6CC(CC(C6)C4)C5)CC3)nc2c1 ZINC000033269069 558993712 /nfs/dbraw/zinc/99/37/12/558993712.db2.gz PFJJBPIHQMCGKZ-ZFGQVMFLSA-N 0 0 420.601 4.809 50 0 HJAARN CCc1ccc(NC(=O)N2CC[C@@H](n3c(-c4ccco4)nc4cccnc43)C2)cc1 ZINC000097124889 558995934 /nfs/dbraw/zinc/99/59/34/558995934.db2.gz LBWNGVPBFAICJC-GOSISDBHSA-N 0 0 401.470 4.733 50 0 HJAARN Cc1ccc(NC(=O)N2CC[C@@H](n3c(-c4ccoc4)nc4cccnc43)C2)cc1C ZINC000097125613 558995940 /nfs/dbraw/zinc/99/59/40/558995940.db2.gz HEYQJGOZXVMWDC-LJQANCHMSA-N 0 0 401.470 4.787 50 0 HJAARN Cc1ccccc1-c1ccc(N2CCC[C@H](C(=O)NCc3ccccc3Cl)C2)nn1 ZINC000022485958 558996357 /nfs/dbraw/zinc/99/63/57/558996357.db2.gz SVUKKWKFUVODDT-IBGZPJMESA-N 0 0 420.944 4.638 50 0 HJAARN Cc1ccc(-c2nc(CSc3nnc(-c4ccccc4Cl)n3N)co2)c(C)c1 ZINC000023077692 558999188 /nfs/dbraw/zinc/99/91/88/558999188.db2.gz DKZWUPWVPFPTHL-UHFFFAOYSA-N 0 0 411.918 4.876 50 0 HJAARN O=C(Nc1nn(Cc2ccccc2)c2cccc(Oc3cccnc3)c12)c1ccon1 ZINC000077392850 559003668 /nfs/dbraw/zinc/00/36/68/559003668.db2.gz CBBFVFZJNMKMDY-UHFFFAOYSA-N 0 0 411.421 4.512 50 0 HJAARN O=C(Cn1cnc2c(-c3ccc(Cl)cc3)csc2c1=O)Nc1ccc(F)cc1 ZINC000023126775 559015651 /nfs/dbraw/zinc/01/56/51/559015651.db2.gz KHBIOPDWIGTUEY-UHFFFAOYSA-N 0 0 413.861 4.556 50 0 HJAARN O=C([C@H](Sc1n[nH]c(C=Cc2ccc(F)cc2)n1)c1ccccc1)N1CCCC1 ZINC000098003821 559016645 /nfs/dbraw/zinc/01/66/45/559016645.db2.gz WQMGVSYSRRYDMY-KTZABMDBSA-N 0 0 408.502 4.570 50 0 HJAARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccccc1Oc1ccccc1 ZINC000011261235 559017156 /nfs/dbraw/zinc/01/71/56/559017156.db2.gz LEHBIGGCAKXLIE-QGZVFWFLSA-N 0 0 401.466 4.655 50 0 HJAARN O=C(Cn1c2ccccc2nc1-c1cccnc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000023144122 559020992 /nfs/dbraw/zinc/02/09/92/559020992.db2.gz CAVKUZRYRUXGRH-UHFFFAOYSA-N 0 0 412.371 4.636 50 0 HJAARN Cc1nc2sc([C@H](c3ccccc3)[NH+]3CCC(Cc4ccccc4)CC3)c([O-])n2n1 ZINC000023156782 559022722 /nfs/dbraw/zinc/02/27/22/559022722.db2.gz ZDIXKPQMSXJPMV-NRFANRHFSA-N 0 0 418.566 4.849 50 0 HJAARN Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)Nc1cccc(Cl)c1C ZINC000033269660 559032402 /nfs/dbraw/zinc/03/24/02/559032402.db2.gz JUAWDNNVSIBTMY-UHFFFAOYSA-N 0 0 403.891 4.685 50 0 HJAARN CCOc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)c1 ZINC000033271517 559033042 /nfs/dbraw/zinc/03/30/42/559033042.db2.gz CYFWLDLVJQLJTN-QGZVFWFLSA-N 0 0 418.522 4.972 50 0 HJAARN Cc1ccc(NC(=O)c2nc3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3n2)cc1 ZINC000033271785 559033139 /nfs/dbraw/zinc/03/31/39/559033139.db2.gz LQHSPCXECBRSFW-UHFFFAOYSA-N 0 0 415.350 4.510 50 0 HJAARN CC(C)c1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2ccccc2F)cc1 ZINC000004732494 559033280 /nfs/dbraw/zinc/03/32/80/559033280.db2.gz FZUGFXSPMCCYBY-UHFFFAOYSA-N 0 0 415.472 4.903 50 0 HJAARN Cc1cc(C(=O)Nc2ccc(Cl)cc2)cc2c1N(C)S(=O)(=O)c1ccccc1-2 ZINC000033271984 559033317 /nfs/dbraw/zinc/03/33/17/559033317.db2.gz FGVKPZBSPVBPIC-UHFFFAOYSA-N 0 0 412.898 4.706 50 0 HJAARN CSc1cccc(NC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)c1 ZINC000033272028 559033429 /nfs/dbraw/zinc/03/34/29/559033429.db2.gz MYEFJUZZHMNEGW-UHFFFAOYSA-N 0 0 424.547 4.775 50 0 HJAARN Cc1cc(C(=O)NC2CCCCCCC2)cc2c1N(C)S(=O)(=O)c1ccccc1-2 ZINC000033272059 559033459 /nfs/dbraw/zinc/03/34/59/559033459.db2.gz JTUYXECAEQYNET-UHFFFAOYSA-N 0 0 412.555 4.643 50 0 HJAARN Cc1nc(-c2ccc(C)c(-n3cc(C(=O)Nc4ccc(Cl)cc4)c(C)n3)c2)no1 ZINC000033275251 559034741 /nfs/dbraw/zinc/03/47/41/559034741.db2.gz HYVHWPKAHZKZDP-UHFFFAOYSA-N 0 0 407.861 4.753 50 0 HJAARN CCn1c2ccccc2nc1CCc1ccccc1NS(=O)(=O)c1cccc(F)c1 ZINC000033275358 559034980 /nfs/dbraw/zinc/03/49/80/559034980.db2.gz SIKISAMBSFMMNJ-UHFFFAOYSA-N 0 0 423.513 4.781 50 0 HJAARN COc1ccc(OC)c(NC(=O)c2ccc(-c3nc(-c4cccc(F)c4)no3)cc2)c1 ZINC000033279005 559042397 /nfs/dbraw/zinc/04/23/97/559042397.db2.gz IFUJUJKIMOCOKC-UHFFFAOYSA-N 0 0 419.412 4.812 50 0 HJAARN COc1cc(NC(=O)c2ccc(-c3nc(-c4cccc(F)c4)no3)cc2)cc(OC)c1 ZINC000033278996 559042411 /nfs/dbraw/zinc/04/24/11/559042411.db2.gz QSDHMRCXLSGOCP-UHFFFAOYSA-N 0 0 419.412 4.812 50 0 HJAARN O=C(Nc1ccc2c(c1)OCCO2)c1cccc(-c2nc(-c3ccc(F)cc3)no2)c1 ZINC000033279068 559042539 /nfs/dbraw/zinc/04/25/39/559042539.db2.gz ILBZHZWHVCVXDD-UHFFFAOYSA-N 0 0 417.396 4.566 50 0 HJAARN COc1cccc(CNS(=O)(=O)c2cc(-c3nc(C(C)C)cs3)sc2C)c1 ZINC000033290145 559047192 /nfs/dbraw/zinc/04/71/92/559047192.db2.gz UDVXVNOQPSXSGC-UHFFFAOYSA-N 0 0 422.597 4.791 50 0 HJAARN CC1CCN(c2nccnc2Oc2ccc(C(=O)NCc3ccccc3F)cc2)CC1 ZINC000033296691 559047400 /nfs/dbraw/zinc/04/74/00/559047400.db2.gz DIDGKVWKHGWKDQ-UHFFFAOYSA-N 0 0 420.488 4.574 50 0 HJAARN COc1ccc(CNS(=O)(=O)c2cc(-c3nc(CC(C)C)cs3)cs2)cc1 ZINC000033297740 559047603 /nfs/dbraw/zinc/04/76/03/559047603.db2.gz POZIYBSREHBYEO-UHFFFAOYSA-N 0 0 422.597 4.557 50 0 HJAARN COc1cccc(CNS(=O)(=O)c2cc(-c3nc(CC(C)C)cs3)cs2)c1 ZINC000033297745 559047621 /nfs/dbraw/zinc/04/76/21/559047621.db2.gz NOBRBWKGIMEPRZ-UHFFFAOYSA-N 0 0 422.597 4.557 50 0 HJAARN Cc1sc(C)c(S(=O)(=O)NCc2cccs2)c1-c1cc(C(F)(F)F)on1 ZINC000033299380 559049395 /nfs/dbraw/zinc/04/93/95/559049395.db2.gz MPNDRLYWEYDHIK-UHFFFAOYSA-N 0 0 422.475 4.579 50 0 HJAARN C[C@@H](Oc1cccc(Cl)c1)C(=O)N(Cc1ccccc1F)c1ccc(Cl)nn1 ZINC000083888387 559053121 /nfs/dbraw/zinc/05/31/21/559053121.db2.gz MPPPBGSRRIXTMR-CYBMUJFWSA-N 0 0 420.271 4.923 50 0 HJAARN COc1ccc(CCC(=O)Nc2ccn(Cc3ccc(Cl)cc3Cl)n2)cc1 ZINC000004760911 559053376 /nfs/dbraw/zinc/05/33/76/559053376.db2.gz AUSZSUJCXBNXSW-UHFFFAOYSA-N 0 0 404.297 4.818 50 0 HJAARN Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3nccnc3N3CCCC3)cc2)c(C)c1 ZINC000033313079 559055041 /nfs/dbraw/zinc/05/50/41/559055041.db2.gz CIKQDYNLBTXADP-LJQANCHMSA-N 0 0 400.526 4.852 50 0 HJAARN CCOC(=O)SCc1nc(=O)n(Cc2ccccc2)c2sc3c(c21)CCCC3 ZINC000085407523 559056728 /nfs/dbraw/zinc/05/67/28/559056728.db2.gz ZZRCHIUHKLABKL-UHFFFAOYSA-N 0 0 414.552 4.775 50 0 HJAARN COc1ccc(-c2nc(-c3ccccc3OCC(=O)Nc3ccc(C)cc3)no2)cc1 ZINC000033324971 559058556 /nfs/dbraw/zinc/05/85/56/559058556.db2.gz LNRAIIMURVQNNT-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN Cc1ccc(NC(=O)COc2ccccc2-c2noc(-c3ccccc3F)n2)cc1 ZINC000033324968 559058559 /nfs/dbraw/zinc/05/85/59/559058559.db2.gz HIVROYHPCFTWCU-UHFFFAOYSA-N 0 0 403.413 4.869 50 0 HJAARN COc1ccccc1NC(=O)COc1ccccc1-c1noc(-c2ccc(F)cc2)n1 ZINC000033325076 559058625 /nfs/dbraw/zinc/05/86/25/559058625.db2.gz ODNWUSHUWUYIEA-UHFFFAOYSA-N 0 0 419.412 4.569 50 0 HJAARN O=C(COc1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1)NCc1ccccc1 ZINC000033327317 559059957 /nfs/dbraw/zinc/05/99/57/559059957.db2.gz VVXDKQIMHWXVJJ-UHFFFAOYSA-N 0 0 419.868 4.752 50 0 HJAARN O=C(COc1cccc(-c2noc(-c3ccccc3Cl)n2)c1)NCc1ccccc1 ZINC000033327296 559060102 /nfs/dbraw/zinc/06/01/02/559060102.db2.gz OWNZIYKAQYUUPL-UHFFFAOYSA-N 0 0 419.868 4.752 50 0 HJAARN Cc1cccc(-c2nc(CN3CCC(C(=O)Nc4cc(Cl)ccc4C)CC3)no2)c1 ZINC000033327686 559060471 /nfs/dbraw/zinc/06/04/71/559060471.db2.gz BHJMWYFFPZKRFQ-UHFFFAOYSA-N 0 0 424.932 4.858 50 0 HJAARN Cc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)c(C)c1 ZINC000004784293 559063064 /nfs/dbraw/zinc/06/30/64/559063064.db2.gz XQWODZBQXFXRJI-RUZDIDTESA-N 0 0 419.908 4.964 50 0 HJAARN Cc1ccc(C(=O)C[C@]2(O)c3ccccc3N(CCCc3ccccc3)C2=O)c(C)c1 ZINC000004784361 559063081 /nfs/dbraw/zinc/06/30/81/559063081.db2.gz ZDJBSSDJMQUDBS-MHZLTWQESA-N 0 0 413.517 4.743 50 0 HJAARN O=C(C[C@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccc(Cl)cc1 ZINC000004784369 559063125 /nfs/dbraw/zinc/06/31/25/559063125.db2.gz SLWTXLYAQWMBCB-RUZDIDTESA-N 0 0 419.908 4.780 50 0 HJAARN Cc1cccc(-n2c(/C=C3/c4ccccc4N(C(C)C)C3=O)nc3ccccc3c2=O)c1 ZINC000004785154 559063395 /nfs/dbraw/zinc/06/33/95/559063395.db2.gz IKFLEHSUQKGHQR-JWGURIENSA-N 0 0 421.500 4.990 50 0 HJAARN CCOc1ccc(NC(=O)c2cn(CC(C)C)c(=O)c3c2c2ccccc2n3C)cc1 ZINC000004788390 559064144 /nfs/dbraw/zinc/06/41/44/559064144.db2.gz ANAQDWHDADHKLZ-UHFFFAOYSA-N 0 0 417.509 4.800 50 0 HJAARN O=c1[nH]c2cc3c(cc2c(-c2ccccc2F)c1COCc1ccccc1)OCCO3 ZINC000098086844 559065139 /nfs/dbraw/zinc/06/51/39/559065139.db2.gz YKFOFKILRSRSPO-UHFFFAOYSA-N 0 0 417.436 4.822 50 0 HJAARN COc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2ccc(OC)cc2OC)cc1 ZINC000004791076 559065664 /nfs/dbraw/zinc/06/56/64/559065664.db2.gz MRXVTQLRMJACNF-UHFFFAOYSA-N 0 0 417.465 4.588 50 0 HJAARN O=C(CCc1ncc(-c2ccccc2)o1)Nc1cccc(I)c1 ZINC000011430385 559075908 /nfs/dbraw/zinc/07/59/08/559075908.db2.gz KTNAJOZCAQAHPM-UHFFFAOYSA-N 0 0 418.234 4.518 50 0 HJAARN CCCCCn1c2ccccc2nc1SCC(=O)Nc1cccc(NC(C)=O)c1 ZINC000011487840 559078353 /nfs/dbraw/zinc/07/83/53/559078353.db2.gz GQBIPVUJTWGCTD-UHFFFAOYSA-N 0 0 410.543 4.916 50 0 HJAARN Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CC(=O)Nc1ccc(F)cc1 ZINC000004815596 559087487 /nfs/dbraw/zinc/08/74/87/559087487.db2.gz OTFBZUCOLRSKDM-XMMPIXPASA-N 0 0 413.452 4.799 50 0 HJAARN O=C(OCc1ccccc1)N1CCC2(CNc3ccc(Br)cc32)CC1 ZINC000095698573 559088017 /nfs/dbraw/zinc/08/80/17/559088017.db2.gz DWOCYIKLSHIHNH-UHFFFAOYSA-N 0 0 401.304 4.545 50 0 HJAARN COc1ccc([C@H]2C[C@H](c3ccc(F)cc3)n3ncnc3N2C(=O)CC(C)C)cc1 ZINC000004816630 559112982 /nfs/dbraw/zinc/11/29/82/559112982.db2.gz DCDZGOLVCLLEFF-NHCUHLMSSA-N 0 0 408.477 4.539 50 0 HJAARN O=C(NCCSCc1ccco1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000011660384 559124041 /nfs/dbraw/zinc/12/40/41/559124041.db2.gz NUCOIOPKXKAVBH-UHFFFAOYSA-N 0 0 405.479 4.660 50 0 HJAARN O=C(Cc1cccs1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023320275 559125930 /nfs/dbraw/zinc/12/59/30/559125930.db2.gz GITMDMGLPYUFFJ-HSZRJFAPSA-N 0 0 410.970 4.878 50 0 HJAARN CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=O)COCc1ccccc1 ZINC000023320639 559125934 /nfs/dbraw/zinc/12/59/34/559125934.db2.gz RTXUXQJYOOKOTO-UHFFFAOYSA-N 0 0 409.507 4.671 50 0 HJAARN Cc1cc(F)ccc1NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098073054 559126726 /nfs/dbraw/zinc/12/67/26/559126726.db2.gz VGWHWELEPAWCMT-UHFFFAOYSA-N 0 0 412.202 4.716 50 0 HJAARN Cc1ccc(C(=O)NC2CCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)cc1F ZINC000098212884 559128133 /nfs/dbraw/zinc/12/81/33/559128133.db2.gz RTIOTRAMRORUGJ-UHFFFAOYSA-N 0 0 412.896 4.576 50 0 HJAARN COc1ccc(C2=Nc3ncnn3[C@H](c3ccc(Cl)cc3Cl)C2)c(OC)c1 ZINC000100983448 559142559 /nfs/dbraw/zinc/14/25/59/559142559.db2.gz LMQIPPPMGOWYMM-KRWDZBQOSA-N 0 0 403.269 4.658 50 0 HJAARN O=C1[C@@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccccc1 ZINC000101063234 559143032 /nfs/dbraw/zinc/14/30/32/559143032.db2.gz GOYZKYVQWGNNAH-NJDAHSKKSA-N 0 0 422.843 4.530 50 0 HJAARN Cc1ccccc1OCC(=O)Nc1c(=O)oc2ccccc2c1NCc1ccccc1 ZINC000101094533 559143285 /nfs/dbraw/zinc/14/32/85/559143285.db2.gz SSULQFZKTPIXKB-UHFFFAOYSA-N 0 0 414.461 4.731 50 0 HJAARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCc2sccc2[C@H]1C1CC1 ZINC000248107813 559147187 /nfs/dbraw/zinc/14/71/87/559147187.db2.gz JILLUIZZNALCHL-SPLOXXLWSA-N 0 0 411.596 4.887 50 0 HJAARN Cc1ccc(O[C@H](C)C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)cc1 ZINC000014071460 559148928 /nfs/dbraw/zinc/14/89/28/559148928.db2.gz HZZUBIVFIFNBHR-OAHLLOKOSA-N 0 0 411.889 4.657 50 0 HJAARN O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1ccc(Br)o1 ZINC000011667086 559150914 /nfs/dbraw/zinc/15/09/14/559150914.db2.gz WJRROLZWMIOZFN-UHFFFAOYSA-N 0 0 424.707 4.880 50 0 HJAARN COc1ccc(-c2noc(CCC(=O)Nc3ccc4c(c3)Cc3ccccc3-4)n2)cc1 ZINC000014350431 559164222 /nfs/dbraw/zinc/16/42/22/559164222.db2.gz ODXABTHCXYRPSD-UHFFFAOYSA-N 0 0 411.461 4.888 50 0 HJAARN O=C(Nc1cc(-c2nc3cc(Br)ccc3[nH]2)ccc1Cl)[C@H]1CCCO1 ZINC000072313714 559165035 /nfs/dbraw/zinc/16/50/35/559165035.db2.gz MOJTYGJFMYRRRS-MRXNPFEDSA-N 0 0 420.694 4.763 50 0 HJAARN O=C(c1nc(Cl)ccc1Cl)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000014499234 559167292 /nfs/dbraw/zinc/16/72/92/559167292.db2.gz JMDKODPPSOREDF-NSHDSACASA-N 0 0 408.310 4.824 50 0 HJAARN Cc1nnc(-c2cc(C3CC3)n(-c3cccc(C(=O)N4CCCCCCC4)c3)n2)o1 ZINC000023330605 559168678 /nfs/dbraw/zinc/16/86/78/559168678.db2.gz DHKWDLMNDHEDPX-UHFFFAOYSA-N 0 0 405.502 4.514 50 0 HJAARN Cc1nnc(-c2cc(CCC(C)C)n(-c3cccc(C(=O)N[C@H](C)C(C)(C)C)c3)n2)o1 ZINC000023331989 559170435 /nfs/dbraw/zinc/17/04/35/559170435.db2.gz MFICMLNIJAZAIT-MRXNPFEDSA-N 0 0 423.561 4.984 50 0 HJAARN O=C(COc1ccccc1)n1nc(-c2ccco2)nc1NCc1cccc(Cl)c1 ZINC000014611167 559171179 /nfs/dbraw/zinc/17/11/79/559171179.db2.gz LBVDOLGXHNTKOV-UHFFFAOYSA-N 0 0 408.845 4.523 50 0 HJAARN CCOC(=O)c1cc(-c2cccc(NC(=O)CC(C)C)c2)n(-c2ccc(F)cc2)n1 ZINC000023333251 559171814 /nfs/dbraw/zinc/17/18/14/559171814.db2.gz JWPGXJTZTTYTEE-UHFFFAOYSA-N 0 0 409.461 4.840 50 0 HJAARN CCCCC(=O)Nc1cccc(-c2cc(C(=O)OCC)nn2-c2ccc(OC)cc2)c1 ZINC000023335695 559172338 /nfs/dbraw/zinc/17/23/38/559172338.db2.gz HXFOGERCIHOHGZ-UHFFFAOYSA-N 0 0 421.497 4.853 50 0 HJAARN Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)c3ccccc3n2)o1 ZINC000023379463 559173636 /nfs/dbraw/zinc/17/36/36/559173636.db2.gz BOHOOBAULYGWQP-UHFFFAOYSA-N 0 0 411.505 4.761 50 0 HJAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1cc(F)ccc1F)CC2 ZINC000023429492 559174415 /nfs/dbraw/zinc/17/44/15/559174415.db2.gz ALZMCKFVNKLGIV-HSZRJFAPSA-N 0 0 409.432 4.770 50 0 HJAARN COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(F)cc2)cc1 ZINC000023434204 559174519 /nfs/dbraw/zinc/17/45/19/559174519.db2.gz NBPRKYPJFQGDFX-XMMPIXPASA-N 0 0 421.468 4.639 50 0 HJAARN Cc1nnc(-c2cc(C3CC3)n(-c3cccc(C(=O)N[C@H](C)c4ccccc4)c3)n2)o1 ZINC000023451636 559174770 /nfs/dbraw/zinc/17/47/70/559174770.db2.gz VQPZJIJSTQZTKR-OAHLLOKOSA-N 0 0 413.481 4.599 50 0 HJAARN O=C(c1nccc2ccccc21)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000220700918 559176625 /nfs/dbraw/zinc/17/66/25/559176625.db2.gz BLMPPACWJVEJGE-MRXNPFEDSA-N 0 0 416.456 4.519 50 0 HJAARN CCCCOc1ccc(-c2n[nH]cc2C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000072329004 559176994 /nfs/dbraw/zinc/17/69/94/559176994.db2.gz QPSIXHKOZABSDV-MRXNPFEDSA-N 0 0 423.513 4.764 50 0 HJAARN Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3ccc4ccccc4n3)C2)n1 ZINC000220792820 559177043 /nfs/dbraw/zinc/17/70/43/559177043.db2.gz PICSJBKBZQELFM-SFHVURJKSA-N 0 0 412.493 4.688 50 0 HJAARN C[C@@H]1CCC[C@@H](NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)[C@@H]1C ZINC000004843576 559177284 /nfs/dbraw/zinc/17/72/84/559177284.db2.gz OXJAJWMYNWPXBW-JFIYKMOQSA-N 0 0 410.543 4.560 50 0 HJAARN C[C@@H]1CCC[C@H](NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)[C@@H]1C ZINC000004843574 559177293 /nfs/dbraw/zinc/17/72/93/559177293.db2.gz OXJAJWMYNWPXBW-NUJGCVRESA-N 0 0 410.543 4.560 50 0 HJAARN Cc1c(C(=O)Nc2ccccc2F)nnn1-c1ccc2noc(-c3ccccc3)c2c1 ZINC000011689943 559177937 /nfs/dbraw/zinc/17/79/37/559177937.db2.gz YDDUSIBFFGCWOF-UHFFFAOYSA-N 0 0 413.412 4.775 50 0 HJAARN CC(C)Cc1ccc([C@H](C)NC(=O)CSc2nnc(-c3cccs3)o2)cc1 ZINC000023643176 559178478 /nfs/dbraw/zinc/17/84/78/559178478.db2.gz FHUCGBAHCABACG-AWEZNQCLSA-N 0 0 401.557 4.966 50 0 HJAARN O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 ZINC000220891407 559178661 /nfs/dbraw/zinc/17/86/61/559178661.db2.gz QZUHBQHZMKCJPC-QGZVFWFLSA-N 0 0 418.522 4.684 50 0 HJAARN COc1ccccc1C1=NO[C@H](CN(Cc2ccccc2F)C(=O)CC(C)(C)C)C1 ZINC000035835458 559187960 /nfs/dbraw/zinc/18/79/60/559187960.db2.gz PILJIXCZPDQSBJ-SFHVURJKSA-N 0 0 412.505 4.792 50 0 HJAARN Cc1cccc(C)c1NC(=O)Cc1csc(SCC(=O)c2cccs2)n1 ZINC000011694985 559188539 /nfs/dbraw/zinc/18/85/39/559188539.db2.gz XSARWGMZGIFODV-UHFFFAOYSA-N 0 0 402.566 4.978 50 0 HJAARN COc1cccc2cc(C(=O)Nc3nnc(-c4ccc(Br)s4)o3)oc21 ZINC000011695486 559188565 /nfs/dbraw/zinc/18/85/65/559188565.db2.gz NQUQKGRYWWZWLC-UHFFFAOYSA-N 0 0 420.244 4.568 50 0 HJAARN CSCCSC1=N/C(=C/c2ccc3c(c2)OCO3)C(=O)N1c1ccc(C)cc1 ZINC000033462900 559195461 /nfs/dbraw/zinc/19/54/61/559195461.db2.gz OGGYWXMXCDSNHL-GZTJUZNOSA-N 0 0 412.536 4.564 50 0 HJAARN Cc1sc2c(c1C)c(=O)n(-c1ccc(Cl)cc1)c(=O)n2Cc1cccc(F)c1 ZINC000004877748 559195614 /nfs/dbraw/zinc/19/56/14/559195614.db2.gz YHYXPVUMVQHPFV-UHFFFAOYSA-N 0 0 414.889 4.672 50 0 HJAARN COc1ccc(OC)c(CNC(=O)c2cc(-c3cccs3)nc3ccccc32)c1 ZINC000004881657 559196530 /nfs/dbraw/zinc/19/65/30/559196530.db2.gz NPVVGQVOOIMSIQ-UHFFFAOYSA-N 0 0 404.491 4.911 50 0 HJAARN Cc1ccc(C)c(Cn2c3ccsc3c(=O)n(-c3ccc(F)c(Cl)c3)c2=O)c1 ZINC000004882339 559197198 /nfs/dbraw/zinc/19/71/98/559197198.db2.gz JPXXUWDGBILEFW-UHFFFAOYSA-N 0 0 414.889 4.672 50 0 HJAARN COc1cccc(-n2c(=O)c3sccc3n(Cc3ccc(C(C)(C)C)cc3)c2=O)c1 ZINC000004882357 559197222 /nfs/dbraw/zinc/19/72/22/559197222.db2.gz NJIBAVAWRRVTIU-UHFFFAOYSA-N 0 0 420.534 4.568 50 0 HJAARN Cc1cc(C)c(Cn2c3ccsc3c(=O)n(-c3cc(C)cc(C)c3)c2=O)c(C)c1 ZINC000004882422 559197235 /nfs/dbraw/zinc/19/72/35/559197235.db2.gz UNXXVQPKAMOSNH-UHFFFAOYSA-N 0 0 404.535 4.804 50 0 HJAARN COc1cc(OC)cc(C2=NC3(CCCCC3)N(C(=O)c3ccc(C)cc3)C2=S)c1 ZINC000004891825 559198609 /nfs/dbraw/zinc/19/86/09/559198609.db2.gz KNLWIAIMPGPZAS-UHFFFAOYSA-N 0 0 422.550 4.945 50 0 HJAARN CCOc1ccc(CN2C(=O)c3ccccc3[C@H]2C(=O)NC2CCCCCC2)cc1 ZINC000004894418 559198861 /nfs/dbraw/zinc/19/88/61/559198861.db2.gz DCHFQMZOXYSFLJ-QHCPKHFHSA-N 0 0 406.526 4.621 50 0 HJAARN CN(Cc1ccccc1)C(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]c2ccccc21 ZINC000004909696 559201585 /nfs/dbraw/zinc/20/15/85/559201585.db2.gz PYUINWYIMHFKAK-DQEYMECFSA-N 0 0 423.516 4.737 50 0 HJAARN CCOc1ccc(Nc2cc(C(=O)NCCCOC(C)C)c3ccccc3n2)cc1 ZINC000004910719 559202424 /nfs/dbraw/zinc/20/24/24/559202424.db2.gz BQKYXCBRYPIYEE-UHFFFAOYSA-N 0 0 407.514 4.922 50 0 HJAARN COc1cc(Nc2nc3ccccc3nc2-n2nc(C)cc2C)c(OC)cc1Cl ZINC000004923588 559207404 /nfs/dbraw/zinc/20/74/04/559207404.db2.gz JZYJYWWDRYIETF-UHFFFAOYSA-N 0 0 409.877 4.847 50 0 HJAARN CCCN(C[C@H]1CC(c2ccc(OC)cc2)=NO1)C(=O)c1cccc2ccccc21 ZINC000004928642 559208389 /nfs/dbraw/zinc/20/83/89/559208389.db2.gz BTASFAAKNQJAIG-OAQYLSRUSA-N 0 0 402.494 4.894 50 0 HJAARN COc1ccc(-c2cn3c(C)c(C(=O)Nc4cccc(C(C)=O)c4)sc3n2)cc1 ZINC000004931018 559209717 /nfs/dbraw/zinc/20/97/17/559209717.db2.gz KFQKAANYCAGTOO-UHFFFAOYSA-N 0 0 405.479 4.835 50 0 HJAARN Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)NC1CCCCCC1 ZINC000004935539 559210384 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COc1ccccc1[C@@H](C)N(C)C(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000105724982 560877014 /nfs/dbraw/zinc/87/70/14/560877014.db2.gz PCHBIBOVPVYHID-IXDOHACOSA-N 0 0 415.509 4.673 50 0 HJAARN COc1ccccc1OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 ZINC000005750758 560883481 /nfs/dbraw/zinc/88/34/81/560883481.db2.gz IQZAVKIXQNYLMR-SFHVURJKSA-N 0 0 410.857 4.698 50 0 HJAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CC[C@@H](Nc4ccccc4)C3)cc12 ZINC000110891347 560886679 /nfs/dbraw/zinc/88/66/79/560886679.db2.gz CTHPXOWWRICYCN-GOSISDBHSA-N 0 0 420.513 4.861 50 0 HJAARN CCOP(=O)(OCC)c1nc(/C=C/c2ccccc2)oc1NCc1cccnc1 ZINC000012062867 560888122 /nfs/dbraw/zinc/88/81/22/560888122.db2.gz BXKJYTSVRWVTNY-OUKQBFOZSA-N 0 0 413.414 4.744 50 0 HJAARN CCn1c2ccc(Br)cc2s/c1=N/C(=O)c1nc2ccccc2s1 ZINC000012180847 560890945 /nfs/dbraw/zinc/89/09/45/560890945.db2.gz WCEPPWRTVHGEBA-LVZFUZTISA-N 0 0 418.341 4.836 50 0 HJAARN CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CCCC[C@@H]12 ZINC000025184494 560891385 /nfs/dbraw/zinc/89/13/85/560891385.db2.gz BPRMDKHXSGCKLD-IRLDBZIGSA-N 0 0 424.342 4.773 50 0 HJAARN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000047553299 560892080 /nfs/dbraw/zinc/89/20/80/560892080.db2.gz LCCVFSLJUAGZSP-UHFFFAOYSA-N 0 0 413.808 4.731 50 0 HJAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COc2cccc(C)c2)cc1 ZINC000005752576 560897749 /nfs/dbraw/zinc/89/77/49/560897749.db2.gz IWMRVEROPRRGMK-DEOSSOPVSA-N 0 0 400.478 4.760 50 0 HJAARN Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(Cl)cc2Cl)cc1C ZINC000005753723 568421444 /nfs/dbraw/zinc/42/14/44/568421444.db2.gz SODNTYOVNNMMJL-GOSISDBHSA-N 0 0 404.297 4.877 50 0 HJAARN CSc1cccc(-n2nnc(C(=O)OCc3cccc(C(F)(F)F)c3)c2C)c1 ZINC000045900466 568421463 /nfs/dbraw/zinc/42/14/63/568421463.db2.gz VYLGHBGLOMUVGO-UHFFFAOYSA-N 0 0 407.417 4.673 50 0 HJAARN COC(=O)c1ccc([C@@H]2C(c3ccccc3)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000045942043 568422283 /nfs/dbraw/zinc/42/22/83/568422283.db2.gz OJSIMDTWFWWXPV-HSZRJFAPSA-N 0 0 413.473 4.569 50 0 HJAARN COc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@@H]2c2ccccc2)c(OC)c1 ZINC000045942098 568422358 /nfs/dbraw/zinc/42/23/58/568422358.db2.gz WELRWXOTCFVQKE-QHCPKHFHSA-N 0 0 401.462 4.757 50 0 HJAARN COc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccccc3C)n2)cc1 ZINC000046012230 568423412 /nfs/dbraw/zinc/42/34/12/568423412.db2.gz UNOVOJBRUZBHNI-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN O=C(Nc1c(=O)oc2ccccc2c1NCC1CCCCC1)c1ccc2c(c1)OCO2 ZINC000046004932 568423603 /nfs/dbraw/zinc/42/36/03/568423603.db2.gz RGOQGQOUHMOFFG-UHFFFAOYSA-N 0 0 420.465 4.766 50 0 HJAARN CCc1cccc(NC(=O)COc2cc(C)c3c(C)nn(-c4ccccc4)c3n2)c1 ZINC000046016822 568423632 /nfs/dbraw/zinc/42/36/32/568423632.db2.gz KFNMPPNCSIBWAF-UHFFFAOYSA-N 0 0 400.482 4.617 50 0 HJAARN C[C@H](C(=O)Nc1cccc(NC(=O)N2CCC[C@H]2c2ccsc2)c1)n1cccn1 ZINC000046007148 568423634 /nfs/dbraw/zinc/42/36/34/568423634.db2.gz DPLPYFXLWBGHPW-BEFAXECRSA-N 0 0 409.515 4.513 50 0 HJAARN CCCCc1nn2c(nc(CN(Cc3ccccc3)Cc3ccccc3)cc2=O)s1 ZINC000046032196 568424596 /nfs/dbraw/zinc/42/45/96/568424596.db2.gz CIYXNEFDWPGERS-UHFFFAOYSA-N 0 0 418.566 4.696 50 0 HJAARN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)c(C)c1 ZINC000046044084 568424986 /nfs/dbraw/zinc/42/49/86/568424986.db2.gz PQOQRNSRIXFJOS-KRWDZBQOSA-N 0 0 404.432 4.813 50 0 HJAARN O=C(Cc1cccc2ccccc21)N1CCC[C@H](C(=O)NCc2ccc(Cl)cc2)C1 ZINC000046045029 568425104 /nfs/dbraw/zinc/42/51/04/568425104.db2.gz PGFJVCJPAMSNMF-NRFANRHFSA-N 0 0 420.940 4.591 50 0 HJAARN CCS(=O)(=O)N(C)c1ccc2sc(C(=O)Nc3cc(C)ccc3C)cc2c1 ZINC000046058346 568426479 /nfs/dbraw/zinc/42/64/79/568426479.db2.gz DNKBOTZFTHKEAE-UHFFFAOYSA-N 0 0 402.541 4.556 50 0 HJAARN Cc1cc(C)c(N(C)S(=O)(=O)c2ccc3c(c2)C(=O)Nc2ccccc2O3)c(C)c1 ZINC000046077658 568427470 /nfs/dbraw/zinc/42/74/70/568427470.db2.gz HWEJEGWHPBJKGI-UHFFFAOYSA-N 0 0 422.506 4.795 50 0 HJAARN O=C(Nc1ccccc1F)c1ccc(N2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000046079786 568427894 /nfs/dbraw/zinc/42/78/94/568427894.db2.gz YOLZPKSVNWLLFX-UHFFFAOYSA-N 0 0 403.457 4.910 50 0 HJAARN Nc1c(Cl)cc(NC(=O)c2ccc(Cn3nnc4ccccc43)cc2)cc1Cl ZINC000048253733 568434500 /nfs/dbraw/zinc/43/45/00/568434500.db2.gz ULQKWISOGGMZPG-UHFFFAOYSA-N 0 0 412.280 4.621 50 0 HJAARN Cc1nc2scc(-c3cccs3)c2c(N(C)Cc2nnc3n2CCCCC3)n1 ZINC000048276190 568435636 /nfs/dbraw/zinc/43/56/36/568435636.db2.gz ZQGXRBXXFVSVKO-UHFFFAOYSA-N 0 0 410.572 4.683 50 0 HJAARN Cc1cc(NC(=O)CSCC(=O)N([C@@H](C)c2cccc3ccccc32)C2CC2)no1 ZINC000048303566 568436089 /nfs/dbraw/zinc/43/60/89/568436089.db2.gz CYWGMXJNRBVSJJ-INIZCTEOSA-N 0 0 423.538 4.560 50 0 HJAARN COc1cc(C(=O)Oc2ccccc2C(C)=O)cc(OC)c1OCc1ccccc1 ZINC000048303211 568436091 /nfs/dbraw/zinc/43/60/91/568436091.db2.gz ALULXOJZMOEHMI-UHFFFAOYSA-N 0 0 406.434 4.705 50 0 HJAARN O=C(Nc1ccc(Oc2ccccc2)cc1)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000048333212 568439488 /nfs/dbraw/zinc/43/94/88/568439488.db2.gz NNGTVJGCTUDUBF-UHFFFAOYSA-N 0 0 415.493 4.905 50 0 HJAARN COc1ccc(-c2csc(CCNC(=O)c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000048326853 568439722 /nfs/dbraw/zinc/43/97/22/568439722.db2.gz PMEJHAOBMDVKDN-UHFFFAOYSA-N 0 0 406.429 4.810 50 0 HJAARN Cc1cc(O[C@@H](C)C(=O)N[C@H](c2nccn2C)c2cccc(F)c2)ccc1C(C)C ZINC000048332325 568439997 /nfs/dbraw/zinc/43/99/97/568439997.db2.gz IEPTUKGOJBDBEV-JTSKRJEESA-N 0 0 409.505 4.664 50 0 HJAARN C[C@@H](CNC(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)N(C)c1ccccc1 ZINC000048332165 568440057 /nfs/dbraw/zinc/44/00/57/568440057.db2.gz CHYWOPLYUYCRDC-SFHVURJKSA-N 0 0 417.513 4.977 50 0 HJAARN Cc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1NS(C)(=O)=O ZINC000048356396 568441139 /nfs/dbraw/zinc/44/11/39/568441139.db2.gz YENPKJRNDLOCLW-UHFFFAOYSA-N 0 0 404.875 4.532 50 0 HJAARN CSc1cccc(NC(=O)C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1 ZINC000048355432 568441561 /nfs/dbraw/zinc/44/15/61/568441561.db2.gz KHIQRHXHVAJARM-UHFFFAOYSA-N 0 0 423.519 4.533 50 0 HJAARN CC[C@H](NC(=O)Cc1csc(NC(=O)c2ccoc2C)n1)c1ccc(Cl)cc1 ZINC000048374993 568442331 /nfs/dbraw/zinc/44/23/31/568442331.db2.gz FQZRBBGPGBPHSB-KRWDZBQOSA-N 0 0 417.918 4.760 50 0 HJAARN Cc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cc1S(C)(=O)=O ZINC000048374752 568442478 /nfs/dbraw/zinc/44/24/78/568442478.db2.gz JAQZNXXLXQVKBM-UHFFFAOYSA-N 0 0 403.519 4.513 50 0 HJAARN COc1ccc(CC(=O)Nc2nc(CSCc3ccc(F)cc3)cs2)cc1 ZINC000012230229 568442771 /nfs/dbraw/zinc/44/27/71/568442771.db2.gz XUYRDLOATNSMHN-UHFFFAOYSA-N 0 0 402.516 4.905 50 0 HJAARN CC(=O)Nc1cccc(Nc2c(C(=O)N3CCCC[C@H]3C)cnc3nc(C)ccc32)c1 ZINC000049005314 568444443 /nfs/dbraw/zinc/44/44/43/568444443.db2.gz SWNIRMGAPMFESC-MRXNPFEDSA-N 0 0 417.513 4.655 50 0 HJAARN CC(=O)c1cccc(Nc2c(C(=O)N3CCCC[C@H]3C)cnc3nc(C)ccc32)c1 ZINC000049005175 568444501 /nfs/dbraw/zinc/44/45/01/568444501.db2.gz HJCYEKKVJAATSR-MRXNPFEDSA-N 0 0 402.498 4.899 50 0 HJAARN Cc1cc(C)c2c(c1)c(=O)c1c(n2C)CCN(C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000049008102 568445060 /nfs/dbraw/zinc/44/50/60/568445060.db2.gz YHHCASVKABLKOS-UHFFFAOYSA-N 0 0 409.917 4.707 50 0 HJAARN O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2)c1ccccc1C(F)(F)F ZINC000049030354 568445784 /nfs/dbraw/zinc/44/57/84/568445784.db2.gz BBICISZGIYYJBF-OAHLLOKOSA-N 0 0 418.415 4.735 50 0 HJAARN Cc1ccccc1NC(=O)CN1CCC(c2nc(-c3ccccc3Cl)no2)CC1 ZINC000049403612 568448332 /nfs/dbraw/zinc/44/83/32/568448332.db2.gz CDPHOYCVNYZJMC-UHFFFAOYSA-N 0 0 410.905 4.517 50 0 HJAARN Cc1cc(F)ccc1NC(=O)CSc1ccc(-c2nc(-c3ccccc3)no2)cn1 ZINC000049405493 568448683 /nfs/dbraw/zinc/44/86/83/568448683.db2.gz QTEATBAPXCJWRN-UHFFFAOYSA-N 0 0 420.469 4.977 50 0 HJAARN CC(C)c1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(Cl)cc4)no3)n2)cc1 ZINC000049421759 568450654 /nfs/dbraw/zinc/45/06/54/568450654.db2.gz MMXWBGXQOHPKOR-UHFFFAOYSA-N 0 0 406.873 4.785 50 0 HJAARN COC(=O)CC1=CC(SCC(=O)Nc2cc(C)ccc2C)=Nc2ccccc2N1 ZINC000049421621 568450706 /nfs/dbraw/zinc/45/07/06/568450706.db2.gz LDNRYTKYQPWDHM-UHFFFAOYSA-N 0 0 409.511 4.578 50 0 HJAARN COc1ccc2ncc(S(=O)(=O)c3ccccc3)c(NCc3ccccc3)c2c1 ZINC000049421528 568450720 /nfs/dbraw/zinc/45/07/20/568450720.db2.gz ABMCGCAKXBBBFV-UHFFFAOYSA-N 0 0 404.491 4.688 50 0 HJAARN Cc1nc(C)c(C(=O)N2CCC(Oc3nc4c(s3)c(C)ccc4C)CC2)s1 ZINC000049442624 568451025 /nfs/dbraw/zinc/45/10/25/568451025.db2.gz QGFZFRMVQOJHOA-UHFFFAOYSA-N 0 0 401.557 4.670 50 0 HJAARN CC(C)COc1ccc([C@H]2CC(=O)N(c3ccccc3)c3c2sc(=O)n3C)cc1 ZINC000049547578 568451601 /nfs/dbraw/zinc/45/16/01/568451601.db2.gz TZQPWDIPBYEGCI-LJQANCHMSA-N 0 0 408.523 4.682 50 0 HJAARN COCc1nn2c(c1-c1ccccc1)NC(=O)C[C@H]2C(=O)Nc1cccc(SC)c1 ZINC000049549250 568451719 /nfs/dbraw/zinc/45/17/19/568451719.db2.gz KUCPNXWCQSBDNW-SFHVURJKSA-N 0 0 422.510 4.590 50 0 HJAARN CCCCc1nc(-n2cccc2)sc1C(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000049550597 568451908 /nfs/dbraw/zinc/45/19/08/568451908.db2.gz OXAVOFRIGHDYKK-UHFFFAOYSA-N 0 0 415.515 4.555 50 0 HJAARN COCc1nn2c(c1-c1ccccc1)NC(=O)C[C@@H]2C(=O)Nc1cccc(Cl)c1 ZINC000049550263 568451952 /nfs/dbraw/zinc/45/19/52/568451952.db2.gz JWBFQYZXVODIAE-QGZVFWFLSA-N 0 0 410.861 4.521 50 0 HJAARN O=C(Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2)C1(c2ccc(F)cc2)CC1 ZINC000049511029 568452314 /nfs/dbraw/zinc/45/23/14/568452314.db2.gz AMGPXWLOYYQPPJ-UHFFFAOYSA-N 0 0 420.509 4.756 50 0 HJAARN Cc1ccc2c(c1)[C@@]1(Nc3ccccc3C(=O)N1c1ccc(C)c(Cl)c1)C(=O)N2 ZINC000049947073 568453522 /nfs/dbraw/zinc/45/35/22/568453522.db2.gz AIIGVNHLBRRIGI-QHCPKHFHSA-N 0 0 403.869 4.834 50 0 HJAARN O=C1Nc2c(cccc2Cl)[C@@]12Nc1ccccc1C(=O)N2c1cccc(Cl)c1 ZINC000049947060 568453552 /nfs/dbraw/zinc/45/35/52/568453552.db2.gz GSPBDFXWPIDCEF-NRFANRHFSA-N 0 0 410.260 4.871 50 0 HJAARN O=C1S/C(=C\c2ccccc2OCc2ccccc2)C(=O)N1CN1CCCCC1 ZINC000211077590 568454437 /nfs/dbraw/zinc/45/44/37/568454437.db2.gz DUNFUOMDAOFZIL-QNGOZBTKSA-N 0 0 408.523 4.745 50 0 HJAARN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)OCc1nc2ccccc2s1 ZINC000012269229 568457038 /nfs/dbraw/zinc/45/70/38/568457038.db2.gz CRMRWMDWANDRIS-UHFFFAOYSA-N 0 0 400.406 4.906 50 0 HJAARN CN(c1ccc(-c2csc(-c3cccc(Br)c3)n2)cc1)S(C)(=O)=O ZINC000020673195 568457754 /nfs/dbraw/zinc/45/77/54/568457754.db2.gz VFAHRLMZNCNDJS-UHFFFAOYSA-N 0 0 423.357 4.635 50 0 HJAARN Cc1ccc(OCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)c(C)c1 ZINC000006752567 568458486 /nfs/dbraw/zinc/45/84/86/568458486.db2.gz UGXIOQAVYRKZSJ-UHFFFAOYSA-N 0 0 419.569 4.971 50 0 HJAARN COC(=O)c1ccc(C(c2ccc(C(=O)OC)cc2)(C(F)(F)F)C(F)(F)F)cc1 ZINC000000652788 568459352 /nfs/dbraw/zinc/45/93/52/568459352.db2.gz QUFDSCGHPQSICZ-UHFFFAOYSA-N 0 0 420.305 4.671 50 0 HJAARN Cc1sc(NC(=O)c2nn(C)c(C)c2Br)nc1-c1ccc(C)c(C)c1 ZINC000000653563 568459671 /nfs/dbraw/zinc/45/96/71/568459671.db2.gz QJKDXOMDYFVTOS-UHFFFAOYSA-N 0 0 419.348 4.792 50 0 HJAARN CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(OC)c(OC)c4)c(N)c3cc2C1 ZINC000000661867 568460288 /nfs/dbraw/zinc/46/02/88/568460288.db2.gz CAQTZXOSKQUSGT-GFCCVEGCSA-N 0 0 411.527 4.663 50 0 HJAARN CCOc1cc(/C=C2/NC(=S)N(C3CCCCC3)C2=O)ccc1OCC(C)C ZINC000000663805 568460369 /nfs/dbraw/zinc/46/03/69/568460369.db2.gz RXAXFOAKHXRPRC-LDADJPATSA-N 0 0 402.560 4.510 50 0 HJAARN O=C(CCc1ccccc1)N[C@H](Cc1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000000668040 568460439 /nfs/dbraw/zinc/46/04/39/568460439.db2.gz GOQGZBDLDUIMMI-HSZRJFAPSA-N 0 0 401.506 4.881 50 0 HJAARN NC(=O)c1c2c(sc1NC(=O)C1c3ccccc3Oc3ccccc31)CCCC2 ZINC000000671350 568461074 /nfs/dbraw/zinc/46/10/74/568461074.db2.gz CENWQDYEXZHSEU-UHFFFAOYSA-N 0 0 404.491 4.602 50 0 HJAARN COC(=O)CSc1nc2ccc(NC(=O)c3cccc4ccccc43)cc2s1 ZINC000000680622 568461565 /nfs/dbraw/zinc/46/15/65/568461565.db2.gz DHHPQGCLUKDUBW-UHFFFAOYSA-N 0 0 408.504 4.967 50 0 HJAARN Cc1cccc(OCc2nnc(NC(=O)c3ccc(Br)cc3)s2)c1C ZINC000000687988 568461694 /nfs/dbraw/zinc/46/16/94/568461694.db2.gz SUFRNOXGUPXFJB-UHFFFAOYSA-N 0 0 418.316 4.749 50 0 HJAARN Cc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCC4)c(Br)c1 ZINC000000691665 568462073 /nfs/dbraw/zinc/46/20/73/568462073.db2.gz KKLDSGNABVOBRM-UHFFFAOYSA-N 0 0 402.317 4.690 50 0 HJAARN C[C@@H](Sc1nc2ccsc2c(=O)n1-c1ccccc1)c1nc(C(C)(C)C)no1 ZINC000024770463 568462101 /nfs/dbraw/zinc/46/21/01/568462101.db2.gz KFEKCXNWYCQPGV-GFCCVEGCSA-N 0 0 412.540 4.981 50 0 HJAARN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000707303 568463537 /nfs/dbraw/zinc/46/35/37/568463537.db2.gz RCWUXZWADRVQHX-UHFFFAOYSA-N 0 0 400.283 4.995 50 0 HJAARN O=C(c1ccccc1)N1C[C@@H](COc2ccccc2)O[C@@H](c2c[nH]c3ccccc32)O1 ZINC000000709998 568463627 /nfs/dbraw/zinc/46/36/27/568463627.db2.gz ZFGQRFFERSTKPE-NBGIEHNGSA-N 0 0 414.461 4.718 50 0 HJAARN O=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCCN(Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000012300401 568464452 /nfs/dbraw/zinc/46/44/52/568464452.db2.gz WOBCKBPSHZXGRK-QGZVFWFLSA-N 0 0 418.472 4.813 50 0 HJAARN COc1ccccc1NC(=O)CSc1nc2scc(-c3ccccc3)c2c(N)n1 ZINC000012324187 568471598 /nfs/dbraw/zinc/47/15/98/568471598.db2.gz HIYHOCWJXIVSKX-UHFFFAOYSA-N 0 0 422.535 4.680 50 0 HJAARN COc1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 ZINC000000786666 568476616 /nfs/dbraw/zinc/47/66/16/568476616.db2.gz VBBGXEAZNVLLFU-XMMPIXPASA-N 0 0 418.518 4.722 50 0 HJAARN CCOc1cc2c(cc1/C=C1\CCn3c1nc1cc(Cl)ccc1c3=O)O[C@@H](C)C2 ZINC000007699706 568484135 /nfs/dbraw/zinc/48/41/35/568484135.db2.gz UBIXQRATYLOLAA-FYQHACEVSA-N 0 0 408.885 4.716 50 0 HJAARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1C1CC1 ZINC000007799234 568485096 /nfs/dbraw/zinc/48/50/96/568485096.db2.gz KZMQUICVYJXFRO-AWEZNQCLSA-N 0 0 403.511 4.828 50 0 HJAARN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccco1 ZINC000000802773 568485111 /nfs/dbraw/zinc/48/51/11/568485111.db2.gz AJLNRSCSIBXBRJ-UHFFFAOYSA-N 0 0 411.266 4.640 50 0 HJAARN COC(=O)c1nc([C@@H](CC(C)C)NC(=O)OC(C)(C)C)n(Cc2ccccc2)c1C ZINC000218916926 568485176 /nfs/dbraw/zinc/48/51/76/568485176.db2.gz XKXSESSJGJKKMN-GOSISDBHSA-N 0 0 415.534 4.638 50 0 HJAARN CCn1c(C)cc(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)c1C ZINC000008131521 568491269 /nfs/dbraw/zinc/49/12/69/568491269.db2.gz CTAVPPLMNPLRSQ-UHFFFAOYSA-N 0 0 420.538 5.000 50 0 HJAARN O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccccc1Br ZINC000024931030 568491439 /nfs/dbraw/zinc/49/14/39/568491439.db2.gz FHIJSVACZVCUBD-IBGZPJMESA-N 0 0 410.315 4.501 50 0 HJAARN Cc1ccc(N(CC(=O)Nc2cc(C)ccc2C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000000817215 568495709 /nfs/dbraw/zinc/49/57/09/568495709.db2.gz XPEFESCLMNDMEW-UHFFFAOYSA-N 0 0 422.550 4.754 50 0 HJAARN CCn1c(Cc2ccccc2)nnc1SCc1nc(-c2ccccc2Cl)no1 ZINC000008314333 568497544 /nfs/dbraw/zinc/49/75/44/568497544.db2.gz RTANHXANRXSTCG-UHFFFAOYSA-N 0 0 411.918 4.885 50 0 HJAARN CCc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ncccc4o3)c2)cc1 ZINC000008395582 568499520 /nfs/dbraw/zinc/49/95/20/568499520.db2.gz RSMRVSOVOHIERI-UHFFFAOYSA-N 0 0 402.479 4.579 50 0 HJAARN Cc1ccc(Nc2nc(CSc3nnc(-c4cccs4)n3N)cs2)cc1 ZINC000008392518 568500079 /nfs/dbraw/zinc/50/00/79/568500079.db2.gz FQRBOZJLBFQKHW-UHFFFAOYSA-N 0 0 400.558 4.521 50 0 HJAARN O=C(Oc1ccc2ccccc2c1)c1ccccc1OS(=O)(=O)c1ccc(F)cc1 ZINC000012360509 568509400 /nfs/dbraw/zinc/50/94/00/568509400.db2.gz KIBRDPOMRCGQSB-UHFFFAOYSA-N 0 0 422.433 4.966 50 0 HJAARN CCc1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2)s1 ZINC000012361439 568509536 /nfs/dbraw/zinc/50/95/36/568509536.db2.gz AYNCOPLVGBQXBT-LJQANCHMSA-N 0 0 406.960 4.559 50 0 HJAARN Cc1ccc([C@@H]2c3cccn3CCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000012361773 568509614 /nfs/dbraw/zinc/50/96/14/568509614.db2.gz RPCSMCHMAVWHPU-HXUWFJFHSA-N 0 0 420.456 4.609 50 0 HJAARN Cc1cc(OCc2nc(CC(=O)Nc3nnc(C4CC4)s3)cs2)ccc1Cl ZINC000033011741 568510388 /nfs/dbraw/zinc/51/03/88/568510388.db2.gz UINMBRAEGRYRSO-UHFFFAOYSA-N 0 0 420.947 4.594 50 0 HJAARN Cc1cccc(NC(=O)c2nc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)c1C ZINC000033088567 568510842 /nfs/dbraw/zinc/51/08/42/568510842.db2.gz QKSGQTGGMZBOTA-UHFFFAOYSA-N 0 0 417.416 4.741 50 0 HJAARN Cc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)Nc1ccc(F)cc1C ZINC000033173461 568511684 /nfs/dbraw/zinc/51/16/84/568511684.db2.gz KYWGSBYOSUMLBL-UHFFFAOYSA-N 0 0 414.380 4.917 50 0 HJAARN Cc1nc(-c2ccc(C)c(-n3cc(C(=O)Nc4cccc(Cl)c4)c(C)n3)c2)no1 ZINC000033275250 568512436 /nfs/dbraw/zinc/51/24/36/568512436.db2.gz CECHCSSVWXSWGB-UHFFFAOYSA-N 0 0 407.861 4.753 50 0 HJAARN Cc1ccc(N2C[C@H](c3nc(-c4ccc(N5CCCCC5)cc4)no3)CC2=O)cc1 ZINC000033255343 568512666 /nfs/dbraw/zinc/51/26/66/568512666.db2.gz OFGVNOQANFNCJE-LJQANCHMSA-N 0 0 402.498 4.556 50 0 HJAARN CN(Cc1ccc(Cl)cc1Cl)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000024732434 568513167 /nfs/dbraw/zinc/51/31/67/568513167.db2.gz QTHUBJJVFRIZFD-UHFFFAOYSA-N 0 0 401.334 4.599 50 0 HJAARN Cc1ccc2[nH]c(C(=O)NCc3cccs3)c(NC(=O)c3ccc(F)cc3)c2c1 ZINC000033287827 568513606 /nfs/dbraw/zinc/51/36/06/568513606.db2.gz LAVHKJHTJMTFNO-UHFFFAOYSA-N 0 0 407.470 4.859 50 0 HJAARN COc1ccccc1NC(=O)COc1ccccc1-c1noc(-c2ccc(C)cc2)n1 ZINC000033325070 568513921 /nfs/dbraw/zinc/51/39/21/568513921.db2.gz CFFLOAWVWNFWAD-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN COc1ccc(CCNc2nc3cc(C)ccc3cc2-c2noc(C)n2)cc1OC ZINC000033331604 568514041 /nfs/dbraw/zinc/51/40/41/568514041.db2.gz QMHUOQMSPNNWNW-UHFFFAOYSA-N 0 0 404.470 4.573 50 0 HJAARN CCOc1ccccc1[N-]S(=O)(=O)c1c(C)sc(C)c1-c1n[nH]c(C)c1C ZINC000033306746 568514098 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/nfs/dbraw/zinc/59/87/98/568598798.db2.gz XEYUKXABWURNOR-IBGZPJMESA-N 0 0 410.271 4.624 50 0 HJAARN FC(F)(F)c1cccc(-c2nnn3c2nc(NC[C@@H]2CCCO2)c2ccccc23)c1 ZINC000020332378 568599448 /nfs/dbraw/zinc/59/94/48/568599448.db2.gz HHHQAWXZMMSTLC-HNNXBMFYSA-N 0 0 413.403 4.554 50 0 HJAARN COc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3C[C@@H](C)C[C@H](C)C3)c2c1 ZINC000020380887 568602418 /nfs/dbraw/zinc/60/24/18/568602418.db2.gz WXAMSEBJRSWLNO-IRXDYDNUSA-N 0 0 410.539 4.559 50 0 HJAARN CCOc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCC3)c2c1 ZINC000020381587 568602720 /nfs/dbraw/zinc/60/27/20/568602720.db2.gz OQSFPFZFZBHMNF-UHFFFAOYSA-N 0 0 416.930 4.720 50 0 HJAARN C[C@]1(C(=O)NC2CCCCCC2)Cc2ccccc2C(=O)N1CCc1ccccc1 ZINC000020386784 568603595 /nfs/dbraw/zinc/60/35/95/568603595.db2.gz LAGXMAMSSDNKBY-AREMUKBSSA-N 0 0 404.554 4.525 50 0 HJAARN Cn1c(Cl)c(Cl)cc1C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1 ZINC000095389738 568603916 /nfs/dbraw/zinc/60/39/16/568603916.db2.gz MKNDFHVOPGNDIY-UHFFFAOYSA-N 0 0 423.687 4.885 50 0 HJAARN NC(=O)c1ccc(NC(=O)N(Cc2cccs2)Cc2cccs2)cc1Cl ZINC000095408298 568606338 /nfs/dbraw/zinc/60/63/38/568606338.db2.gz MMUCBSURDALMDT-UHFFFAOYSA-N 0 0 405.932 4.796 50 0 HJAARN COc1ccccc1-c1nn(CCC(=O)NC2CCCCCC2)c2nc(C)cc(C)c12 ZINC000020437554 568607124 /nfs/dbraw/zinc/60/71/24/568607124.db2.gz MTNRXJAXVMWDIW-UHFFFAOYSA-N 0 0 420.557 4.953 50 0 HJAARN Cc1oc(-c2ccccc2)nc1CC(=O)Nc1cc(F)c(Br)cc1F ZINC000095435474 568609786 /nfs/dbraw/zinc/60/97/86/568609786.db2.gz MFIRGDRIIUABCA-UHFFFAOYSA-N 0 0 407.214 4.872 50 0 HJAARN Cc1nc2cc(NC(=O)[C@H]3CCC[C@@H]3C(=O)Nc3ccc4oc(C)nc4c3)ccc2o1 ZINC000095441919 568610991 /nfs/dbraw/zinc/61/09/91/568610991.db2.gz OUYUEEKXSORJAM-IRXDYDNUSA-N 0 0 418.453 4.579 50 0 HJAARN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N[C@](C)(c2ccccc2)C(F)(F)F)cc1 ZINC000095457263 568618411 /nfs/dbraw/zinc/61/84/11/568618411.db2.gz RSDJUUSLMFAHSC-MGPUTAFESA-N 0 0 424.488 4.649 50 0 HJAARN O=c1ccnc2sc(N[C@@H]3CCCCC[C@H]3c3ccccc3C(F)(F)F)nn21 ZINC000095458755 568619304 /nfs/dbraw/zinc/61/93/04/568619304.db2.gz YNNMUVBPPDIKSY-DZGCQCFKSA-N 0 0 408.449 4.698 50 0 HJAARN Cc1ccc2c(CC(=O)Nc3ccc(S(C)(=O)=O)c(C(F)F)c3)coc2c1C ZINC000095463541 568621872 /nfs/dbraw/zinc/62/18/72/568621872.db2.gz ONCGUSDFWUGDIN-UHFFFAOYSA-N 0 0 407.438 4.572 50 0 HJAARN O=C(NCc1ccc(Cl)cc1)c1ccc(C[S@@](=O)Cc2ccccc2Cl)o1 ZINC000020515186 568622859 /nfs/dbraw/zinc/62/28/59/568622859.db2.gz SYUZMOSNYFJMEQ-HHHXNRCGSA-N 0 0 422.333 4.965 50 0 HJAARN NC(=O)Nc1cccc(NC(=O)[C@@H]2CCCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000095465136 568623217 /nfs/dbraw/zinc/62/32/17/568623217.db2.gz QBIWZEGHVKJQOR-HZPDHXFCSA-N 0 0 411.893 4.619 50 0 HJAARN C[C@@H](c1nc2ccccc2o1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000095465886 568624109 /nfs/dbraw/zinc/62/41/09/568624109.db2.gz NBHFTRJDQLSCMC-ZDUSSCGKSA-N 0 0 404.297 4.654 50 0 HJAARN O=C(NCc1cccnc1)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 ZINC000095477462 568630859 /nfs/dbraw/zinc/63/08/59/568630859.db2.gz GHYVNPORFWGDOO-HSZRJFAPSA-N 0 0 417.553 4.583 50 0 HJAARN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000095482459 568634434 /nfs/dbraw/zinc/63/44/34/568634434.db2.gz UVNPTOIOWYQKDK-QGZVFWFLSA-N 0 0 420.296 4.859 50 0 HJAARN Cc1c(C(=O)Nc2ccc(F)cc2F)sc2ncnc(N3CCC(C)CC3)c12 ZINC000020757062 568641530 /nfs/dbraw/zinc/64/15/30/568641530.db2.gz OPVZIKIMZFKBCO-UHFFFAOYSA-N 0 0 402.470 4.767 50 0 HJAARN CC1=C(Br)CN(C(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1 ZINC000225490163 568642571 /nfs/dbraw/zinc/64/25/71/568642571.db2.gz KXBBUJMSHVPJEF-UHFFFAOYSA-N 0 0 405.317 4.515 50 0 HJAARN Cc1csc2ncc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)c(=O)n12 ZINC000020767571 568643568 /nfs/dbraw/zinc/64/35/68/568643568.db2.gz VIKYLBUDBFETLA-UHFFFAOYSA-N 0 0 411.870 4.762 50 0 HJAARN COc1ccc(OC)c(CN[C@@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)c1 ZINC000020853386 568645299 /nfs/dbraw/zinc/64/52/99/568645299.db2.gz NWDVIYYQAGVMQH-JOCHJYFZSA-N 0 0 419.456 4.772 50 0 HJAARN Cc1cccc(-c2nn3c(nc(COc4cccc(C(F)(F)F)c4)cc3=O)s2)c1 ZINC000020859094 568645765 /nfs/dbraw/zinc/64/57/65/568645765.db2.gz ATTXDXWECOKRCZ-UHFFFAOYSA-N 0 0 417.412 4.724 50 0 HJAARN COc1cccc(CNC(=O)c2cc(-c3cccs3)nn2Cc2ccc(F)cc2)c1 ZINC000020864187 568646444 /nfs/dbraw/zinc/64/64/44/568646444.db2.gz SWUYQSGAVRRWQP-UHFFFAOYSA-N 0 0 421.497 4.738 50 0 HJAARN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1ccccc1F)SCC(=O)N2 ZINC000020891289 568647957 /nfs/dbraw/zinc/64/79/57/568647957.db2.gz ZMGUFMRNZQOVGG-GOSISDBHSA-N 0 0 410.499 4.704 50 0 HJAARN Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccc(Br)c1)SCC(=O)N2 ZINC000020892858 568648099 /nfs/dbraw/zinc/64/80/99/568648099.db2.gz QTNRCKDNDFFIHR-GOSISDBHSA-N 0 0 414.328 4.718 50 0 HJAARN COc1cc(Cl)c(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1Cl ZINC000225539101 568648756 /nfs/dbraw/zinc/64/87/56/568648756.db2.gz OBLOHEDFYISLOG-UHFFFAOYSA-N 0 0 414.354 4.645 50 0 HJAARN Cc1c(C(=O)NC[C@H]2CCCO2)oc2ccc3c(c12)C(=O)CC1(CCCCCC1)O3 ZINC000020900699 568649814 /nfs/dbraw/zinc/64/98/14/568649814.db2.gz HULOXJFWJOBIHD-MRXNPFEDSA-N 0 0 411.498 4.708 50 0 biogenic HJAARN O=C(C1=Cc2sc3c(c2CS1)CCCC3)N1CCN(c2ccc(F)cc2)CC1 ZINC000020931530 568651902 /nfs/dbraw/zinc/65/19/02/568651902.db2.gz KMUSTBHHNVDWIH-UHFFFAOYSA-N 0 0 414.571 4.703 50 0 HJAARN O=S(=O)(c1ccc(-c2cc(C(F)(F)F)on2)s1)N1CCCc2ccccc21 ZINC000020977621 568653980 /nfs/dbraw/zinc/65/39/80/568653980.db2.gz VOVWHJPQVMTNMI-UHFFFAOYSA-N 0 0 414.430 4.563 50 0 HJAARN O=C(Nc1ccccc1C(F)(F)F)c1cccn1-c1nnc(N2CCCCC2)s1 ZINC000020980834 568654662 /nfs/dbraw/zinc/65/46/62/568654662.db2.gz PQAZXAHUPBSUKC-UHFFFAOYSA-N 0 0 421.448 4.590 50 0 HJAARN Cc1noc(-c2ccc(C)c(S(=O)(=O)N3CCSc4ccccc43)c2)c1C ZINC000020984734 568654926 /nfs/dbraw/zinc/65/49/26/568654926.db2.gz DGAVNXWQXZQHNX-UHFFFAOYSA-N 0 0 400.525 4.568 50 0 HJAARN CCc1cc2c(cc1S(=O)(=O)N1CCc3ccccc31)[nH]c1c2C(=O)CC(C)(C)C1 ZINC000020990362 568655670 /nfs/dbraw/zinc/65/56/70/568655670.db2.gz YHXMWXAXSAENDM-UHFFFAOYSA-N 0 0 422.550 4.637 50 0 HJAARN Cc1cc(C)cc(NC(=O)CCN2c3ccccc3Sc3ncccc3C2=O)c1 ZINC000020993332 568656248 /nfs/dbraw/zinc/65/62/48/568656248.db2.gz HBRUQEUSFPYKQH-UHFFFAOYSA-N 0 0 403.507 4.839 50 0 HJAARN O=C(Nc1ccccc1C(F)(F)F)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000021018769 568658068 /nfs/dbraw/zinc/65/80/68/568658068.db2.gz SEOVYDYJDCCGDO-HXUWFJFHSA-N 0 0 410.395 4.916 50 0 HJAARN CCc1ccc(C[NH2+]Cc2c(C)n(Cc3ccc(OC)cc3)c(C)c2C(=O)[O-])cc1 ZINC000021024657 568658664 /nfs/dbraw/zinc/65/86/64/568658664.db2.gz SLBPDBNOLCKUBV-UHFFFAOYSA-N 0 0 406.526 4.712 50 0 HJAARN CCCNC(=O)Nc1cc(C(=O)NCc2ccc(C(C)C)cc2)ccc1N1CCCC1 ZINC000021050061 568661075 /nfs/dbraw/zinc/66/10/75/568661075.db2.gz ZUCYPZDOQJGKRX-UHFFFAOYSA-N 0 0 422.573 4.872 50 0 HJAARN COC(=O)c1ccc2c(c1)N(Cc1ccc(OC)cc1)C(=O)c1ccccc1S2 ZINC000021089181 568663748 /nfs/dbraw/zinc/66/37/48/568663748.db2.gz MCYDTEQTNWAUCR-UHFFFAOYSA-N 0 0 405.475 4.793 50 0 HJAARN Cc1ccc(NC(=O)N2CCN(c3nc4cc(F)ccc4n4cccc34)CC2)c(C)c1 ZINC000021104041 568666691 /nfs/dbraw/zinc/66/66/91/568666691.db2.gz ATCHGXIQYOJZJD-UHFFFAOYSA-N 0 0 417.488 4.598 50 0 HJAARN Cc1cccc(NC(=O)N2CCN(c3nc4cc(F)ccc4n4cccc34)CC2)c1C ZINC000021103978 568666742 /nfs/dbraw/zinc/66/67/42/568666742.db2.gz DQRGESURVAIUAI-UHFFFAOYSA-N 0 0 417.488 4.598 50 0 HJAARN O=C(C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)N1CCC[C@]2(CC=CCC2)C1 ZINC000095959757 568669880 /nfs/dbraw/zinc/66/98/80/568669880.db2.gz PKGFQODUMRFGKZ-WOJBJXKFSA-N 0 0 424.488 4.785 50 0 HJAARN CCCCn1c(Cn2ccnc2C)nc2cc(NC(=O)c3ccc(F)cc3)ccc21 ZINC000021149223 568671952 /nfs/dbraw/zinc/67/19/52/568671952.db2.gz PYQPUSRLSHCMRU-UHFFFAOYSA-N 0 0 405.477 4.781 50 0 HJAARN CCOc1cc2c(cc1OCC)[C@H]1CC(=O)N(c3ccc(CC)cc3)C(=O)N1CC2 ZINC000021151236 568672373 /nfs/dbraw/zinc/67/23/73/568672373.db2.gz JLEIGRGVGPMUFO-HXUWFJFHSA-N 0 0 408.498 4.503 50 0 HJAARN CCOc1cc2c(cc1OCC)[C@H]1CC(=O)N(c3ccc(C)c(C)c3)C(=O)N1CC2 ZINC000021151248 568672411 /nfs/dbraw/zinc/67/24/11/568672411.db2.gz QLZYZCBJKOUKKV-HXUWFJFHSA-N 0 0 408.498 4.557 50 0 HJAARN CC1=C(C(=O)N(CC(=O)NC2CCCCCC2)c2ccc(Cl)cc2)SCCO1 ZINC000021163628 568674340 /nfs/dbraw/zinc/67/43/40/568674340.db2.gz JNWGCLUMHBRZBY-UHFFFAOYSA-N 0 0 422.978 4.507 50 0 HJAARN CC1CCC(NC(=O)c2cc3c(s2)-c2ccc(Cl)cc2S(=O)(=O)C3)CC1 ZINC000021166914 568674803 /nfs/dbraw/zinc/67/48/03/568674803.db2.gz KFDSNCKPRSBOGP-UHFFFAOYSA-N 0 0 409.960 4.664 50 0 HJAARN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2 ZINC000021166857 568674869 /nfs/dbraw/zinc/67/48/69/568674869.db2.gz WERLFUVCGXJYCU-VXGBXAGGSA-N 0 0 409.960 4.759 50 0 HJAARN O=C([O-])c1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000095997728 568679353 /nfs/dbraw/zinc/67/93/53/568679353.db2.gz DUVYQCDQEDETNK-UHFFFAOYSA-N 0 0 401.441 4.666 50 0 HJAARN CCCOc1c(Cl)cc(C(=O)N2CCC(CCCn3ccnc3)CC2)cc1OC ZINC000096008819 568683497 /nfs/dbraw/zinc/68/34/97/568683497.db2.gz RKHTVYDCRXCESV-UHFFFAOYSA-N 0 0 419.953 4.667 50 0 HJAARN COC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CCN(Cc1ccccc1)C2 ZINC000021264280 568685692 /nfs/dbraw/zinc/68/56/92/568685692.db2.gz ZAKNTZHNEPAXSK-UHFFFAOYSA-N 0 0 412.555 4.612 50 0 HJAARN CC(C)C(=O)Nc1nc2ccc(CCC(=O)Nc3ccc(F)cc3F)cc2s1 ZINC000021353143 568687759 /nfs/dbraw/zinc/68/77/59/568687759.db2.gz UJHPNIRRLZRZTQ-UHFFFAOYSA-N 0 0 403.454 4.740 50 0 HJAARN CC(C)C(=O)Nc1nc2ccc(CCC(=O)N[C@@H](C)CCc3ccccc3)cc2s1 ZINC000021353258 568688067 /nfs/dbraw/zinc/68/80/67/568688067.db2.gz HYLMPOALQKGJHE-KRWDZBQOSA-N 0 0 423.582 4.961 50 0 HJAARN Cc1ccc(S(=O)(=O)Nc2ccccc2CCc2nc3ccccc3n2C)c(C)c1 ZINC000021357075 568688202 /nfs/dbraw/zinc/68/82/02/568688202.db2.gz FBKZTDNVQFMWJZ-UHFFFAOYSA-N 0 0 419.550 4.776 50 0 HJAARN CCSc1ccccc1C(=O)N1CCC(Oc2ncccc2Br)CC1 ZINC000096096968 568689264 /nfs/dbraw/zinc/68/92/64/568689264.db2.gz KQBMGCXJNFRBAT-UHFFFAOYSA-N 0 0 421.360 4.640 50 0 HJAARN COc1ccccc1CNC(=O)c1[nH]c2ccccc2c1NC(=O)c1cccc(C)c1 ZINC000021362302 568690345 /nfs/dbraw/zinc/69/03/45/568690345.db2.gz QJBARFQRRVAZGA-UHFFFAOYSA-N 0 0 413.477 4.667 50 0 HJAARN CCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccc(F)cc1 ZINC000012389454 568691547 /nfs/dbraw/zinc/69/15/47/568691547.db2.gz RYYZTRDCCIUBJU-UHFFFAOYSA-N 0 0 414.502 4.739 50 0 HJAARN O=C(CCc1ccccc1F)Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2 ZINC000096103623 568691987 /nfs/dbraw/zinc/69/19/87/568691987.db2.gz LWAGDDSNRMJBSF-UHFFFAOYSA-N 0 0 408.498 4.657 50 0 HJAARN COc1ccc(CN(Cc2ccco2)C(=O)C2=C(c3ccccc3)SCCO2)cc1 ZINC000012389588 568692235 /nfs/dbraw/zinc/69/22/35/568692235.db2.gz DOELTWCQUWGMTL-UHFFFAOYSA-N 0 0 421.518 4.949 50 0 HJAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2cccc(Cl)c2F)S1 ZINC000096117082 568696314 /nfs/dbraw/zinc/69/63/14/568696314.db2.gz BHCBNJYVQWGJGP-MEDUHNTESA-N 0 0 409.914 4.985 50 0 HJAARN CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccc(O)c(Cl)c2)S1 ZINC000096117978 568697511 /nfs/dbraw/zinc/69/75/11/568697511.db2.gz HUNUMULTIMQUBO-BLLLJJGKSA-N 0 0 407.923 4.552 50 0 HJAARN CO[C@H]1CCN(c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2)C1 ZINC000096122282 568700246 /nfs/dbraw/zinc/70/02/46/568700246.db2.gz LUOXUGWHIPNTDN-HNNXBMFYSA-N 0 0 409.711 4.580 50 0 HJAARN O=C(c1ccc(Cl)o1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000021409009 568701577 /nfs/dbraw/zinc/70/15/77/568701577.db2.gz LJCJYBYAOPBEMH-UHFFFAOYSA-N 0 0 416.855 4.759 50 0 HJAARN CC(=O)N(c1nc(/C=C\C(=O)N(C)c2cccc(C)c2)cs1)c1ccccc1F ZINC000096189925 568703380 /nfs/dbraw/zinc/70/33/80/568703380.db2.gz XJCCVKCQOGYISO-QXMHVHEDSA-N 0 0 409.486 4.951 50 0 HJAARN C[C@H](NC(=O)c1cc2occc2n1Cc1ccccc1F)c1nc2ccccc2n1C ZINC000096193730 568703539 /nfs/dbraw/zinc/70/35/39/568703539.db2.gz MMNGOFJKRYVTHQ-HNNXBMFYSA-N 0 0 416.456 4.799 50 0 HJAARN CNc1sc(C(=O)c2ccccc2)c(C)c1C(=O)Nc1cc(OC)ccc1OC ZINC000096191593 568703541 /nfs/dbraw/zinc/70/35/41/568703541.db2.gz DRFWOMVRKMTCNP-UHFFFAOYSA-N 0 0 410.495 4.599 50 0 HJAARN C[C@@]1(C(=O)NC2CCCCCC2)Cn2c3ccoc3cc2C(=O)N1C1CCCCC1 ZINC000021526682 568709414 /nfs/dbraw/zinc/70/94/14/568709414.db2.gz KIMYBZHIGJMNMH-DEOSSOPVSA-N 0 0 411.546 4.621 50 0 HJAARN Cc1ccccc1N1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCCC1 ZINC000021526499 568709433 /nfs/dbraw/zinc/70/94/33/568709433.db2.gz WTILIOBMJSGAJQ-VWLOTQADSA-N 0 0 419.525 4.801 50 0 HJAARN CC(C)c1ccc(-c2noc(SCC(=O)NCc3ccccc3Cl)n2)cc1 ZINC000021533332 568711497 /nfs/dbraw/zinc/71/14/97/568711497.db2.gz QENAOENLSFIXCD-UHFFFAOYSA-N 0 0 401.919 4.922 50 0 HJAARN Cc1cccc(C)c1NC(=O)CSc1n[nH]c(-c2ccc(Br)cc2)n1 ZINC000000851209 568712012 /nfs/dbraw/zinc/71/20/12/568712012.db2.gz UWBHPQQPEJHRIY-UHFFFAOYSA-N 0 0 417.332 4.582 50 0 HJAARN COc1ccc(Cn2cc3ccc(C(=O)NCc4ccc(Cl)cc4)cc3n2)cc1 ZINC000021535993 568712063 /nfs/dbraw/zinc/71/20/63/568712063.db2.gz JPEYNWULMOJTNX-UHFFFAOYSA-N 0 0 405.885 4.677 50 0 HJAARN O=C1CCCc2cc(S(=O)(=O)N(Cc3cccs3)C3CCCCC3)ccc2N1 ZINC000021535884 568712177 /nfs/dbraw/zinc/71/21/77/568712177.db2.gz GLGHSIIOTVKSSW-UHFFFAOYSA-N 0 0 418.584 4.547 50 0 HJAARN Cc1cc(S[C@H](NC(=O)c2ccccc2)C(=O)c2ccccc2)nc(C(C)C)n1 ZINC000000854969 568712896 /nfs/dbraw/zinc/71/28/96/568712896.db2.gz UWCSJHBRRDCZOY-QHCPKHFHSA-N 0 0 405.523 4.640 50 0 HJAARN O=c1c2c(n3cnnc3n1CCc1ccccc1)-c1ccccc1CC21CCCCC1 ZINC000000856853 568713150 /nfs/dbraw/zinc/71/31/50/568713150.db2.gz GNLACNKMWHVCDO-UHFFFAOYSA-N 0 0 410.521 4.559 50 0 HJAARN Cc1cc(C)c2c(-n3cccc3)nn(CCCC(=O)NCc3cccc(Cl)c3)c2n1 ZINC000021539954 568713288 /nfs/dbraw/zinc/71/32/88/568713288.db2.gz GQWUAHRFKQYWLA-UHFFFAOYSA-N 0 0 421.932 4.589 50 0 HJAARN COc1cc(OC)cc([C@H](CC(N)=O)c2cn(Cc3ccccc3)c3ccccc23)c1 ZINC000096275272 568714297 /nfs/dbraw/zinc/71/42/97/568714297.db2.gz VQYCJIMRLGTEFQ-QHCPKHFHSA-N 0 0 414.505 4.714 50 0 HJAARN CC(C)CNC(=O)c1cc2cc(NC(=O)C(C)C)ccc2n1Cc1ccc(F)cc1 ZINC000096276324 568715035 /nfs/dbraw/zinc/71/50/35/568715035.db2.gz BLLUAHXHTTUARY-UHFFFAOYSA-N 0 0 409.505 4.809 50 0 HJAARN CCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)c3cc4ccccc4o3)ccc12 ZINC000018536868 568716766 /nfs/dbraw/zinc/71/67/66/568716766.db2.gz CLMCBZAJJDLMQM-HNNXBMFYSA-N 0 0 405.450 4.748 50 0 HJAARN C[C@H](C(=O)NCc1ccncc1)n1c(Cc2cccc(Cl)c2)nc2ccccc21 ZINC000096279041 568717177 /nfs/dbraw/zinc/71/71/77/568717177.db2.gz ZGYUOKKRUXNQIU-MRXNPFEDSA-N 0 0 404.901 4.553 50 0 HJAARN O=C(c1ccco1)N(CCc1nc(-c2ccc(Cl)cc2)no1)Cc1ccccc1 ZINC000096288408 568719429 /nfs/dbraw/zinc/71/94/29/568719429.db2.gz IMNUBOOWOMHKII-UHFFFAOYSA-N 0 0 407.857 4.868 50 0 HJAARN COc1ccc(-c2noc([C@H](Cc3ccccc3)NC(=O)CC(C)(C)C)n2)cc1OC ZINC000096293230 568721541 /nfs/dbraw/zinc/72/15/41/568721541.db2.gz WNDYXQLLMMLMMT-SFHVURJKSA-N 0 0 423.513 4.590 50 0 HJAARN CC[C@H](C)N(CCc1nc(-c2cccc(OC)c2)no1)C(=O)c1ccccc1Cl ZINC000096293487 568721699 /nfs/dbraw/zinc/72/16/99/568721699.db2.gz LCKUJQIAKYWSSC-HNNXBMFYSA-N 0 0 413.905 4.882 50 0 HJAARN CC[C@@H](C)N(CCc1nc(-c2cccc(OC)c2)no1)C(=O)CCc1ccccc1 ZINC000096293464 568721808 /nfs/dbraw/zinc/72/18/08/568721808.db2.gz ODSBARZZXYYLAK-GOSISDBHSA-N 0 0 407.514 4.548 50 0 HJAARN Cc1ccc(O)c(NC(=O)c2cnn3c2N[C@H](c2cccs2)C[C@H]3C(F)(F)F)c1 ZINC000000866501 568723665 /nfs/dbraw/zinc/72/36/65/568723665.db2.gz KCTYINFBWPAEHI-BBRMVZONSA-N 0 0 422.432 4.871 50 0 HJAARN CC(C)OCCCNC(=O)Cc1ccc(Nc2[nH]c(=S)nc3ccccc32)cc1 ZINC000002949212 568726779 /nfs/dbraw/zinc/72/67/79/568726779.db2.gz CICSATMUAZFASJ-UHFFFAOYSA-N 0 0 410.543 4.510 50 0 HJAARN CC[C@H](C)c1nc(C)c(Cc2cccc(C)c2)c(N2CCN(C(=O)CC(C)C)CC2)n1 ZINC000096317473 568726790 /nfs/dbraw/zinc/72/67/90/568726790.db2.gz WAWFIQKQSLYKDH-FQEVSTJZSA-N 0 0 422.617 4.892 50 0 HJAARN COCCn1c(-c2cccc(OC)c2)cnc1NC(=O)Nc1ccc(C)c(Cl)c1 ZINC000021648808 568728704 /nfs/dbraw/zinc/72/87/04/568728704.db2.gz HVACHLKARSBLPY-UHFFFAOYSA-N 0 0 414.893 4.811 50 0 HJAARN C[C@@H](Cc1ccco1)NC(=O)c1ccc(NC(=O)c2nsc3ccccc32)cc1 ZINC000021650565 568729045 /nfs/dbraw/zinc/72/90/45/568729045.db2.gz QHIGRCCUWCIIEF-AWEZNQCLSA-N 0 0 405.479 4.503 50 0 HJAARN O=C(CSCc1nc2cccnc2n1C1CCCCC1)N1CCc2ccccc2C1 ZINC000021650927 568729109 /nfs/dbraw/zinc/72/91/09/568729109.db2.gz DNOJYZAQWVHZAU-UHFFFAOYSA-N 0 0 420.582 4.755 50 0 HJAARN COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc(F)c2)cc1 ZINC000239403156 568729242 /nfs/dbraw/zinc/72/92/42/568729242.db2.gz RNYZHOIMWLEEBR-GGAORHGYSA-N 0 0 408.860 5.730 50 0 HJAARN Cc1cccc(OCC(=O)Nc2ccc3c(c2)Sc2ccccc2C(=O)N3C)c1 ZINC000021653068 568730529 /nfs/dbraw/zinc/73/05/29/568730529.db2.gz LGGQMNZKAFRJBQ-UHFFFAOYSA-N 0 0 404.491 4.754 50 0 HJAARN Cc1ccccc1-c1ncccc1C(=O)N1CCC(C(=O)NC2CCCCCC2)CC1 ZINC000021654401 568731004 /nfs/dbraw/zinc/73/10/04/568731004.db2.gz KKIHDXLKIRCKCG-UHFFFAOYSA-N 0 0 419.569 4.748 50 0 HJAARN COc1cc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)cs2)cc(OC)c1 ZINC000021656515 568732223 /nfs/dbraw/zinc/73/22/23/568732223.db2.gz UFOZFHNBSPVMKX-UHFFFAOYSA-N 0 0 419.506 4.935 50 0 HJAARN Cc1ccc(NC(=O)N2CCc3c(sc4nc(-c5ccc(F)cc5)nn43)C2)c(C)c1 ZINC000096323826 568732845 /nfs/dbraw/zinc/73/28/45/568732845.db2.gz HPSQYLLQWXHYAK-UHFFFAOYSA-N 0 0 421.501 4.804 50 0 HJAARN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1C(=O)OCc1ccc(F)cc1 ZINC000005787659 568733082 /nfs/dbraw/zinc/73/30/82/568733082.db2.gz UYLHJMUSADTMRQ-UHFFFAOYSA-N 0 0 407.485 4.881 50 0 HJAARN CN(c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21)C1CCCCC1 ZINC000034689074 568734019 /nfs/dbraw/zinc/73/40/19/568734019.db2.gz HSPHDBDSQINUGM-UHFFFAOYSA-N 0 0 422.598 4.959 50 0 HJAARN COc1ccc(NCC(=O)Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 ZINC000021659308 568735092 /nfs/dbraw/zinc/73/50/92/568735092.db2.gz CJWPCKKZBZJIFR-UHFFFAOYSA-N 0 0 410.477 4.870 50 0 HJAARN COc1ccc([C@H]2CC(c3ccc(OC)c(OC)c3)=NN2c2nc(C)cs2)cc1 ZINC000021658619 568735159 /nfs/dbraw/zinc/73/51/59/568735159.db2.gz AIJWKQORHZZYSN-LJQANCHMSA-N 0 0 409.511 4.833 50 0 HJAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccccc4F)nc3n2)cc1 ZINC000021660514 568735619 /nfs/dbraw/zinc/73/56/19/568735619.db2.gz ACVUJUIFBZUXMR-UHFFFAOYSA-N 0 0 415.350 4.510 50 0 HJAARN O=C(N[C@@H](C(=O)N1CCCc2ccccc21)c1ccccc1)c1cccc2[nH]ccc21 ZINC000096331140 568735844 /nfs/dbraw/zinc/73/58/44/568735844.db2.gz FDFAKKFIIKPAKS-XMMPIXPASA-N 0 0 409.489 4.618 50 0 HJAARN Cc1ccccc1Oc1nccnc1SCC(=O)N[C@@H](C)CCc1ccccc1 ZINC000096332624 568736316 /nfs/dbraw/zinc/73/63/16/568736316.db2.gz FBALHECUGAMDIB-SFHVURJKSA-N 0 0 407.539 4.807 50 0 HJAARN O=C(NCc1ccccn1)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 ZINC000096344050 568737114 /nfs/dbraw/zinc/73/71/14/568737114.db2.gz IYWCVGHSTDUEBE-HSZRJFAPSA-N 0 0 417.553 4.583 50 0 HJAARN COc1ccc2cc(-c3nc(CCN(C)C(=O)c4ccc(C(C)C)cc4)no3)[nH]c2c1 ZINC000096349462 568738048 /nfs/dbraw/zinc/73/80/48/568738048.db2.gz ORQUHJCYPVUWIL-UHFFFAOYSA-N 0 0 418.497 4.665 50 0 HJAARN CN(CCc1noc(-c2cc3cc(Cl)ccc3[nH]2)n1)C(=O)CC1CCCCC1 ZINC000096349859 568738339 /nfs/dbraw/zinc/73/83/39/568738339.db2.gz PUFLLLDVUNNGJN-UHFFFAOYSA-N 0 0 400.910 4.843 50 0 HJAARN CCc1c2cc(C)ccc2[nH]c1-c1nc(CCN(C)C(=O)Cc2ccccc2C)no1 ZINC000096349678 568738353 /nfs/dbraw/zinc/73/83/53/568738353.db2.gz MCCMBFKSPPPTIO-UHFFFAOYSA-N 0 0 416.525 4.641 50 0 HJAARN CCc1nnc(NC(=O)CSc2nc(-c3ccccc3)nc3c(C)cccc23)s1 ZINC000000887016 568739187 /nfs/dbraw/zinc/73/91/87/568739187.db2.gz VEPVGDQRVWDHGJ-UHFFFAOYSA-N 0 0 421.551 4.750 50 0 HJAARN COc1cc(Cl)c(NC(=O)CCc2ccc3[nH]c(C(C)C)nc3c2)c(OC)c1 ZINC000096363664 568739483 /nfs/dbraw/zinc/73/94/83/568739483.db2.gz RFUFOXUTHWVIRP-UHFFFAOYSA-N 0 0 401.894 4.928 50 0 HJAARN Cc1ccc(-n2cc(C3CCN(C(=O)c4ccc(Br)o4)CC3)cn2)cc1 ZINC000096372504 568739878 /nfs/dbraw/zinc/73/98/78/568739878.db2.gz DISBYMVVPJUKBK-UHFFFAOYSA-N 0 0 414.303 4.556 50 0 HJAARN CC(=O)c1c(C)n(-c2ccc(C)c(NC(=O)COc3ccccc3)c2)c(C)c1C(C)=O ZINC000000892065 568740916 /nfs/dbraw/zinc/74/09/16/568740916.db2.gz UDKCNXCWRZIZIX-UHFFFAOYSA-N 0 0 418.493 4.825 50 0 HJAARN Cc1nc(-c2cccc(NC(=O)C[C@H](NC(N)=O)c3ccc(Cl)cc3)c2)cs1 ZINC000018824910 568741450 /nfs/dbraw/zinc/74/14/50/568741450.db2.gz HFHWUQOAGJYZBQ-KRWDZBQOSA-N 0 0 414.918 4.510 50 0 HJAARN COc1ccc(CNC(=O)c2cc(-c3ccncc3)cn2Cc2ccccc2C)cc1 ZINC000096386165 568742681 /nfs/dbraw/zinc/74/26/81/568742681.db2.gz MATVREKUBFOLSU-UHFFFAOYSA-N 0 0 411.505 4.845 50 0 HJAARN CCn1cc(C2=CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)c2cccnc21 ZINC000096386466 568743026 /nfs/dbraw/zinc/74/30/26/568743026.db2.gz CJQVNUWHPIGXQS-UHFFFAOYSA-N 0 0 423.582 4.832 50 0 HJAARN Cc1oc2ccn(Cc3ccccc3F)c(=O)c2c1C(=O)N[C@H](C)c1cccs1 ZINC000096396562 568745091 /nfs/dbraw/zinc/74/50/91/568745091.db2.gz SCCYVZUMMVCPAD-CYBMUJFWSA-N 0 0 410.470 4.643 50 0 HJAARN CCOc1cc(Br)c(/C=C2\SC(=O)N([C@H](C)CC)C2=O)cc1OC ZINC000001008446 568761842 /nfs/dbraw/zinc/76/18/42/568761842.db2.gz JIPTXECTWDZTBM-IIBSKXHVSA-N 0 0 414.321 4.691 50 0 HJAARN Cc1cc(C)n(Cc2nc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)oc2C)n1 ZINC000096397328 568746176 /nfs/dbraw/zinc/74/61/76/568746176.db2.gz GWWVNTIMPQSOIT-UHFFFAOYSA-N 0 0 418.472 4.832 50 0 HJAARN COc1cccc2c1ccn2CCC(=O)N[C@H](CC(C)C)c1nc2ccccc2n1C ZINC000248008721 568746999 /nfs/dbraw/zinc/74/69/99/568746999.db2.gz CWFBADUODNLEKQ-HXUWFJFHSA-N 0 0 418.541 4.830 50 0 HJAARN CCOc1ccc(C(=O)Nc2cc(-c3cc4cc(OC)ccc4n3CC)[nH]n2)cc1 ZINC000096398589 568747300 /nfs/dbraw/zinc/74/73/00/568747300.db2.gz OEWAXXYSHYGIOO-UHFFFAOYSA-N 0 0 404.470 4.711 50 0 HJAARN Cc1ccc(NC(=O)Nc2ccc3nc(S(=O)(=O)C(C)C)sc3c2)c(C)c1 ZINC000096399690 568748913 /nfs/dbraw/zinc/74/89/13/568748913.db2.gz ISBTVETZIFHZLT-UHFFFAOYSA-N 0 0 403.529 4.739 50 0 HJAARN Cc1ccc(NC(=O)Nc2ccc3nc(S(=O)(=O)C(C)C)sc3c2)cc1C ZINC000096399675 568748932 /nfs/dbraw/zinc/74/89/32/568748932.db2.gz PFEFUIMRWBXPPM-UHFFFAOYSA-N 0 0 403.529 4.739 50 0 HJAARN Cc1ccc(C)c(NC(=O)Nc2ccc3nc(S(=O)(=O)CC(C)C)sc3c2)c1 ZINC000096399717 568749002 /nfs/dbraw/zinc/74/90/02/568749002.db2.gz ZDQHOEHIHVQEEG-UHFFFAOYSA-N 0 0 417.556 4.987 50 0 HJAARN CCCc1nc(-c2c(C)cc(C)nc2NC(=O)c2ccccc2Br)no1 ZINC000096400049 568749281 /nfs/dbraw/zinc/74/92/81/568749281.db2.gz QLBAAKHXFXQDTN-UHFFFAOYSA-N 0 0 415.291 4.716 50 0 HJAARN CC(=O)c1cccc(NC(=O)Nc2cccc(-c3nccnc3N3CCCC3)c2)c1 ZINC000096400187 568749489 /nfs/dbraw/zinc/74/94/89/568749489.db2.gz WIYOKESIXFYRSX-UHFFFAOYSA-N 0 0 401.470 4.590 50 0 HJAARN CCn1c(-c2cc(NC(=O)Cc3cccc(Cl)c3)n[nH]2)cc2ccc(OC)cc21 ZINC000096400343 568749579 /nfs/dbraw/zinc/74/95/79/568749579.db2.gz ZPBUYNNYONVDJM-UHFFFAOYSA-N 0 0 408.889 4.895 50 0 HJAARN CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(Cl)c(C)c3)cc21 ZINC000002497200 568750951 /nfs/dbraw/zinc/75/09/51/568750951.db2.gz UONRNFORDIUHPE-UHFFFAOYSA-N 0 0 407.875 4.681 50 0 HJAARN COc1ccccc1NC(=O)COc1ccc(C(=O)Nc2cc(C)ccc2C)cc1 ZINC000000937234 568751878 /nfs/dbraw/zinc/75/18/78/568751878.db2.gz AIHZWTRWNVESJA-UHFFFAOYSA-N 0 0 404.466 4.582 50 0 HJAARN COc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)n3)cc2)cc1 ZINC000021794314 568753412 /nfs/dbraw/zinc/75/34/12/568753412.db2.gz GSZRVBJQHYTOBV-UHFFFAOYSA-N 0 0 417.513 4.780 50 0 HJAARN COC(=O)c1cc(Cl)c(NC(=O)COc2ccc(C)cc2C(C)(C)C)cc1OC ZINC000000943594 568753575 /nfs/dbraw/zinc/75/35/75/568753575.db2.gz BHIJBHNQOAOCCZ-UHFFFAOYSA-N 0 0 419.905 4.759 50 0 HJAARN CC(C)CCNC(=O)[C@@]1(C)Cn2c(cc3ccccc32)C(=O)N1c1cccc(Cl)c1 ZINC000021858372 568755153 /nfs/dbraw/zinc/75/51/53/568755153.db2.gz DTETUCKXHOQHSL-XMMPIXPASA-N 0 0 423.944 4.876 50 0 HJAARN CC(C)CCNC(=O)[C@]1(C)Cn2c(cc3ccccc32)C(=O)N1c1ccc(Cl)cc1 ZINC000021858383 568755155 /nfs/dbraw/zinc/75/51/55/568755155.db2.gz ZRCWBBGNVNKURF-DEOSSOPVSA-N 0 0 423.944 4.876 50 0 HJAARN Cc1ccccc1N1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021863752 568755668 /nfs/dbraw/zinc/75/56/68/568755668.db2.gz ZIAHHXCMOJJPCT-VWLOTQADSA-N 0 0 417.509 4.534 50 0 HJAARN CC(C)CCN1C(=O)c2ccc(-c3ccccc3)n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021869144 568756072 /nfs/dbraw/zinc/75/60/72/568756072.db2.gz FKOMGNOOQWBFKG-SANMLTNESA-N 0 0 421.585 4.865 50 0 HJAARN CCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2cccc(Cl)c2)C1 ZINC000086077496 568756310 /nfs/dbraw/zinc/75/63/10/568756310.db2.gz SLXNZUUTDPOQFG-MRXNPFEDSA-N 0 0 424.932 4.927 50 0 HJAARN COC(=O)[C@@H](C)Oc1ccc2c(c1)occ(Oc1cc(C)c(Cl)c(C)c1)c2=O ZINC000000950717 568757119 /nfs/dbraw/zinc/75/71/19/568757119.db2.gz XMNGKWSYEAYTHY-CYBMUJFWSA-N 0 0 402.830 4.796 50 0 HJAARN CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1ccc(N(CC)CC)cc1 ZINC000000951973 568757252 /nfs/dbraw/zinc/75/72/52/568757252.db2.gz IEETWEUKVIULJD-UHFFFAOYSA-N 0 0 421.497 4.788 50 0 HJAARN O=C(Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O)Nc1ccc(F)cc1 ZINC000000955640 568757390 /nfs/dbraw/zinc/75/73/90/568757390.db2.gz ARRCXFHZXBLRRR-UHFFFAOYSA-N 0 0 413.861 4.556 50 0 HJAARN CC(C)c1cccc(C(C)C)c1NC(=O)Cn1nnc2sc3c(c2c1=O)CCCC3 ZINC000000958863 568758073 /nfs/dbraw/zinc/75/80/73/568758073.db2.gz MUQBHJGDSJTLKE-UHFFFAOYSA-N 0 0 424.570 4.617 50 0 HJAARN COCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@H]1c1cccc(Cl)c1 ZINC000021893719 568759956 /nfs/dbraw/zinc/75/99/56/568759956.db2.gz YCZKZBWIGFAKCB-JOCHJYFZSA-N 0 0 409.917 4.782 50 0 HJAARN COC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3cc(Cl)ccc3C)o2)C1=O ZINC000000981750 568760318 /nfs/dbraw/zinc/76/03/18/568760318.db2.gz UQSBLKZXCVCSQL-RCEBRVLHSA-N 0 0 405.859 4.506 50 0 HJAARN COc1cc(OC)nc(Oc2ccccc2CNc2ccccc2C(F)(F)F)n1 ZINC000096562562 568760399 /nfs/dbraw/zinc/76/03/99/568760399.db2.gz AZZZRAIQDUHNPS-UHFFFAOYSA-N 0 0 405.376 4.917 50 0 HJAARN CCOc1ccc(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)c(OCC)c1 ZINC000000994296 568760870 /nfs/dbraw/zinc/76/08/70/568760870.db2.gz IWXRYZXOIZSAPJ-IDUWFGFVSA-N 0 0 407.800 4.760 50 0 HJAARN O=C(Oc1cccc2cccnc21)c1ccc(Br)cc1Br ZINC000001006368 568761879 /nfs/dbraw/zinc/76/18/79/568761879.db2.gz MXMSNRRAUJSESS-UHFFFAOYSA-N 0 0 407.061 4.979 50 0 HJAARN O=C(CCc1ccccc1)N1CCC(Nc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000052314877 568762424 /nfs/dbraw/zinc/76/24/24/568762424.db2.gz RPUMUKLFBVSJIQ-UHFFFAOYSA-N 0 0 411.855 4.790 50 0 HJAARN O=C(CS(=O)(=O)c1ccc2ccccc2c1)Nc1ccc(-c2ccccc2)cc1 ZINC000001018820 568762623 /nfs/dbraw/zinc/76/26/23/568762623.db2.gz IDOPRJXMWCVLQZ-UHFFFAOYSA-N 0 0 401.487 4.919 50 0 HJAARN CCOC(=O)c1c2c(sc1NC(=O)CCCC(=O)OC)C[C@H](C(C)(C)CC)CC2 ZINC000022341301 568766675 /nfs/dbraw/zinc/76/66/75/568766675.db2.gz DOGKIFCXFNCAAZ-CQSZACIVSA-N 0 0 423.575 4.748 50 0 HJAARN Cc1noc(C)c1COc1ccc(C(=O)OCc2csc(-c3ccco3)n2)cc1 ZINC000025435172 568768336 /nfs/dbraw/zinc/76/83/36/568768336.db2.gz MWBWJRQXDVZQGZ-UHFFFAOYSA-N 0 0 410.451 4.944 50 0 HJAARN CCOc1ccccc1NC(=O)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000022492644 568768728 /nfs/dbraw/zinc/76/87/28/568768728.db2.gz RVDPENJJEMNNID-UHFFFAOYSA-N 0 0 420.488 4.537 50 0 HJAARN COc1ccc(-n2c(C)nc3ccc(NC(=O)c4cccc(Cl)c4)cc3c2=O)cc1 ZINC000022498714 568768781 /nfs/dbraw/zinc/76/87/81/568768781.db2.gz OMNMNCLDOLFSFV-UHFFFAOYSA-N 0 0 419.868 4.608 50 0 HJAARN Cc1ccc(C(C)C)c(OCC(=O)N2NC3=C(CCCCC3)[C@@]2(O)C(F)(F)F)c1 ZINC000001101567 568768905 /nfs/dbraw/zinc/76/89/05/568768905.db2.gz JFOGMNFBZIQMFT-OXQOHEQNSA-N 0 0 412.452 4.527 50 0 HJAARN Cc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)c2cc[nH]n2)CCCCC1 ZINC000001089581 568769127 /nfs/dbraw/zinc/76/91/27/568769127.db2.gz UERBWIQXOIOXOH-UHFFFAOYSA-N 0 0 420.513 4.604 50 0 HJAARN CCOc1cc(-c2ccc(I)o2)cc(=O)c2c(C)oc(C)c21 ZINC000001094554 568769261 /nfs/dbraw/zinc/76/92/61/568769261.db2.gz UFCRDMVNWNEFJK-UHFFFAOYSA-N 0 0 410.207 4.673 50 0 biogenic HJAARN O=C1C[C@H](SCc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 ZINC000001095915 568769545 /nfs/dbraw/zinc/76/95/45/568769545.db2.gz HONFGKFGALOECJ-HNNXBMFYSA-N 0 0 410.720 4.668 50 0 HJAARN O=C(Nc1cnc2ccccc2c1)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000002466520 568772521 /nfs/dbraw/zinc/77/25/21/568772521.db2.gz AFUKYHVNHMHZMD-DQEYMECFSA-N 0 0 419.484 4.710 50 0 HJAARN COc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3ccccc3Cl)cc2)cc1 ZINC000001122409 568772900 /nfs/dbraw/zinc/77/29/00/568772900.db2.gz JMCWEXKIGHAREQ-UHFFFAOYSA-N 0 0 423.852 4.641 50 0 HJAARN COc1ccc(-c2c(C)oc3cc(OC(=O)c4ccco4)ccc3c2=O)cc1OC ZINC000001142115 568773943 /nfs/dbraw/zinc/77/39/43/568773943.db2.gz SBHSWAZPXDBQIA-UHFFFAOYSA-N 0 0 406.390 4.598 50 0 biogenic HJAARN Cc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(NCc3ccco3)o2)cc1 ZINC000002478329 568774184 /nfs/dbraw/zinc/77/41/84/568774184.db2.gz FZIABYJVKVVJOL-UHFFFAOYSA-N 0 0 408.479 4.996 50 0 HJAARN O=c1c2ccccc2nc(SCc2nnc(-c3ccccc3)o2)n1-c1ccccc1 ZINC000001158321 568775309 /nfs/dbraw/zinc/77/53/09/568775309.db2.gz FKWLJCARBHHVLQ-UHFFFAOYSA-N 0 0 412.474 4.728 50 0 HJAARN O=C(Nc1c(C(=O)Nc2cccc(Cl)c2)cnn1-c1ccccc1)c1ccco1 ZINC000002502225 568777287 /nfs/dbraw/zinc/77/72/87/568777287.db2.gz GUNZBPLDCKHPJC-UHFFFAOYSA-N 0 0 406.829 4.623 50 0 HJAARN O=C(NC(c1ccccc1)c1ccccc1)N1CC[C@H](c2ccc3c(c2)OCO3)C1 ZINC000225680121 568778667 /nfs/dbraw/zinc/77/86/67/568778667.db2.gz MULBVOAPDZLBST-NRFANRHFSA-N 0 0 400.478 4.704 50 0 HJAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(OC2CCOCC2)nc1 ZINC000225711607 568779615 /nfs/dbraw/zinc/77/96/15/568779615.db2.gz PWTZKRBXADBYIZ-UHFFFAOYSA-N 0 0 400.784 4.564 50 0 HJAARN Cc1cccc(Cn2cc(Br)c(NC(=O)c3ccc(Cl)cc3)n2)c1 ZINC000028229121 568782861 /nfs/dbraw/zinc/78/28/61/568782861.db2.gz WTTJLJRGDXVIKA-UHFFFAOYSA-N 0 0 404.695 4.908 50 0 HJAARN Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)N3CCc4ccccc4C3)s2)c1C ZINC000002622473 568788171 /nfs/dbraw/zinc/78/81/71/568788171.db2.gz BWZDMHLNNOECRK-INIZCTEOSA-N 0 0 424.595 4.964 50 0 HJAARN C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2cccs2)n1Cc1ccccc1 ZINC000002625891 568789306 /nfs/dbraw/zinc/78/93/06/568789306.db2.gz JTRSRULJKISYBV-MRXNPFEDSA-N 0 0 412.584 4.548 50 0 HJAARN O=C(Nc1ccc(I)cc1)c1c2c(nc3ccccc31)CCC2 ZINC000002632488 568791331 /nfs/dbraw/zinc/79/13/31/568791331.db2.gz MROFDPYTTRZZBA-UHFFFAOYSA-N 0 0 414.246 4.580 50 0 HJAARN C[C@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000002633480 568791358 /nfs/dbraw/zinc/79/13/58/568791358.db2.gz LVNUBVWVUNXFBY-ZDUSSCGKSA-N 0 0 400.887 4.576 50 0 HJAARN CSc1ncccc1C(=O)O[C@@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000002635821 568792039 /nfs/dbraw/zinc/79/20/39/568792039.db2.gz BLONUSTVIWCCRT-SFHVURJKSA-N 0 0 420.534 4.578 50 0 HJAARN C[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(C(F)(F)F)cn4)c(N)c3cc2C1 ZINC000215712599 568793301 /nfs/dbraw/zinc/79/33/01/568793301.db2.gz OCKKCJDYCNRAQT-SECBINFHSA-N 0 0 406.433 4.669 50 0 HJAARN Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccccc2)cc1Cl ZINC000002643313 568794227 /nfs/dbraw/zinc/79/42/27/568794227.db2.gz DFHKZOUZDRVELF-QFIPXVFZSA-N 0 0 404.897 4.854 50 0 HJAARN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)c1ccc(F)c(F)c1 ZINC000002644448 568794598 /nfs/dbraw/zinc/79/45/98/568794598.db2.gz CJFPTGPCWZOFAB-UHFFFAOYSA-N 0 0 411.433 4.840 50 0 HJAARN Cc1cc(Br)cc(Cl)c1OCC(=O)Nc1ccc(F)c(F)c1F ZINC000002644233 568794603 /nfs/dbraw/zinc/79/46/03/568794603.db2.gz JOFWCDSIOPYQRS-UHFFFAOYSA-N 0 0 408.601 4.846 50 0 HJAARN COc1ccc(-c2cc(C(=O)Nc3nnc(C4CC4)s3)c3ccccc3n2)cc1 ZINC000002644650 568794623 /nfs/dbraw/zinc/79/46/23/568794623.db2.gz GDUZRLGJUVBDSR-UHFFFAOYSA-N 0 0 402.479 4.892 50 0 HJAARN COc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1-c1ccccc1 ZINC000002644711 568794687 /nfs/dbraw/zinc/79/46/87/568794687.db2.gz XNHDOWGWMRRBKT-OAHLLOKOSA-N 0 0 420.494 4.655 50 0 HJAARN CCC(=O)c1ccc(OCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 ZINC000002646039 568794898 /nfs/dbraw/zinc/79/48/98/568794898.db2.gz FSHBLQFXHBYEKV-UHFFFAOYSA-N 0 0 402.422 4.699 50 0 HJAARN COc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000002646365 568795177 /nfs/dbraw/zinc/79/51/77/568795177.db2.gz MOUHSNMEOCXWKB-HNNXBMFYSA-N 0 0 416.433 4.687 50 0 HJAARN Cc1ccc(NC(=O)COc2ccc(F)cc2Br)c(Br)c1 ZINC000002653171 568797092 /nfs/dbraw/zinc/79/70/92/568797092.db2.gz AHAYNOOTDUGFNS-UHFFFAOYSA-N 0 0 417.072 4.677 50 0 HJAARN CCOc1ccccc1C(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000002724488 568803474 /nfs/dbraw/zinc/80/34/74/568803474.db2.gz BGACSVQPJJYUMN-QHCPKHFHSA-N 0 0 420.896 4.923 50 0 HJAARN Cc1nn(CCc2nnc(Nc3cccc(Cl)c3)s2)c(C)c1Br ZINC000002735503 568805537 /nfs/dbraw/zinc/80/55/37/568805537.db2.gz OWWLWZFQVRFZAB-UHFFFAOYSA-N 0 0 412.744 4.754 50 0 HJAARN COc1ccc(OC)c(NC(=O)C[C@@]2(C)NN=C(c3cccc4ccccc43)S2)c1 ZINC000670419877 568805989 /nfs/dbraw/zinc/80/59/89/568805989.db2.gz XIHJVRGSUQWYHG-QHCPKHFHSA-N 0 0 421.522 4.600 50 0 HJAARN CCOc1ccc(Cc2nc3c4c5c(sc4ncn3n2)C[C@@H](C)CC5)cc1OCC ZINC000002790327 568809566 /nfs/dbraw/zinc/80/95/66/568809566.db2.gz RZDSWEMPHKFALM-AWEZNQCLSA-N 0 0 422.554 4.852 50 0 HJAARN Cc1cccc(OCc2ccc(-c3nc4c5cnn(-c6ccccc6)c5ncn4n3)o2)c1 ZINC000002797153 568810481 /nfs/dbraw/zinc/81/04/81/568810481.db2.gz YPFMUXLBWIKQHY-UHFFFAOYSA-N 0 0 422.448 4.611 50 0 HJAARN Cc1ccccc1-n1c(SC[C@H](O)c2ccccc2F)nnc1-c1cccnc1 ZINC000028911155 568813009 /nfs/dbraw/zinc/81/30/09/568813009.db2.gz UAVHRUKOGCJIBK-FQEVSTJZSA-N 0 0 406.486 4.603 50 0 HJAARN FC(F)Oc1ccccc1[C@H]1C[C@H](c2ccc(Br)cc2)Nc2ncnn21 ZINC000002918027 568816440 /nfs/dbraw/zinc/81/64/40/568816440.db2.gz SZXKPFSKBAPSFR-HUUCEWRRSA-N 0 0 421.245 4.788 50 0 HJAARN FC(F)Oc1ccccc1[C@H]1C[C@H](c2cccc(Br)c2)Nc2ncnn21 ZINC000002918218 568816669 /nfs/dbraw/zinc/81/66/69/568816669.db2.gz ORFFTVRLIRPJRA-HUUCEWRRSA-N 0 0 421.245 4.788 50 0 HJAARN COc1ccc(CN2C(=O)c3ccccc3[C@H]2C(=O)NC2CCCCCCC2)cc1 ZINC000002923943 568817162 /nfs/dbraw/zinc/81/71/62/568817162.db2.gz WLYRSLOOXCYYGL-QHCPKHFHSA-N 0 0 406.526 4.621 50 0 HJAARN COC(=O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@@]21C ZINC000257348389 568817623 /nfs/dbraw/zinc/81/76/23/568817623.db2.gz FFNJULBVNGBVGK-GDSUWEKCSA-N 0 0 418.574 4.565 50 0 HJAARN COc1ccc(OC)c(-n2cnc3cc(C(=O)NCc4ccccc4Cl)ccc32)c1 ZINC000002926166 568817636 /nfs/dbraw/zinc/81/76/36/568817636.db2.gz ZXZRVCRFLJKOKU-UHFFFAOYSA-N 0 0 421.884 4.626 50 0 HJAARN CCOC(=O)c1cc(-c2ccccc2)n(CC(=O)Nc2ccccc2OCC)c1C ZINC000002928455 568817791 /nfs/dbraw/zinc/81/77/91/568817791.db2.gz XBYRVBSJUYEHJP-UHFFFAOYSA-N 0 0 406.482 4.678 50 0 HJAARN COc1ccc(NC(=O)CCn2c(C)c(C(C)=O)cc2-c2ccc(F)cc2)cc1OC ZINC000002929819 568818143 /nfs/dbraw/zinc/81/81/43/568818143.db2.gz RXYQHSORPGOCHG-UHFFFAOYSA-N 0 0 424.472 4.851 50 0 HJAARN COC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC(=O)[C@@]12C ZINC000257358552 568818202 /nfs/dbraw/zinc/81/82/02/568818202.db2.gz VCWDOHJFKGOMRJ-NKQKRSHDSA-N 0 0 402.575 4.983 50 0 HJAARN CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2[C@H](C)CC)cc1 ZINC000002932307 568818549 /nfs/dbraw/zinc/81/85/49/568818549.db2.gz DQFJPEGRMQITGO-CYBMUJFWSA-N 0 0 401.557 4.722 50 0 HJAARN O=C(NCc1ccccn1)c1csc(-c2ccc(OCc3ccccc3)cc2)n1 ZINC000034711739 568818919 /nfs/dbraw/zinc/81/89/19/568818919.db2.gz CQVDRHIHDQDGSL-UHFFFAOYSA-N 0 0 401.491 4.714 50 0 HJAARN Cc1ccc(CNC(=O)c2ccc(CNc3[nH]c(=S)nc4ccccc43)cc2)o1 ZINC000002948953 568820530 /nfs/dbraw/zinc/82/05/30/568820530.db2.gz RMGRCYZANUJOKQ-UHFFFAOYSA-N 0 0 404.495 4.736 50 0 HJAARN Cc1ccc(OC[C@H](O)Cn2c(Cc3ccccc3C)nc3ccccc32)cc1C ZINC000082087062 568820743 /nfs/dbraw/zinc/82/07/43/568820743.db2.gz KDXLERVGXGGSHD-JOCHJYFZSA-N 0 0 400.522 4.992 50 0 HJAARN Cc1ccc(C)c(N(CC(=O)Nc2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000001173911 568821360 /nfs/dbraw/zinc/82/13/60/568821360.db2.gz QNUDVMFJOZUQPQ-UHFFFAOYSA-N 0 0 424.522 4.500 50 0 HJAARN CCCc1noc(CSc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)n1 ZINC000029235342 568823320 /nfs/dbraw/zinc/82/33/20/568823320.db2.gz HIFXAXLOAGKEKU-UHFFFAOYSA-N 0 0 412.902 4.667 50 0 HJAARN Cc1nccn1-c1ccc(CNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)cc1F ZINC000063110161 568824441 /nfs/dbraw/zinc/82/44/41/568824441.db2.gz FWAIWSAMFUKELE-UHFFFAOYSA-N 0 0 414.893 4.960 50 0 HJAARN CSCC[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000005827130 568824647 /nfs/dbraw/zinc/82/46/47/568824647.db2.gz PDHKEIHUWAHPJN-SFHVURJKSA-N 0 0 417.962 4.984 50 0 HJAARN C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)c1nc2ccccc2c(=O)[nH]1 ZINC000005857807 568826041 /nfs/dbraw/zinc/82/60/41/568826041.db2.gz TYMMEIJYNWXLSI-AWEZNQCLSA-N 0 0 419.554 4.869 50 0 HJAARN Cn1c(SCC(=O)Nc2c(F)cccc2F)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000005857461 568826071 /nfs/dbraw/zinc/82/60/71/568826071.db2.gz UKMXOYRVAQKJEK-UHFFFAOYSA-N 0 0 416.497 4.789 50 0 HJAARN CCc1ccc([C@@H](NCC(=O)Nc2ccnn2C2CCCC2)c2cccs2)cc1 ZINC000057312430 568826633 /nfs/dbraw/zinc/82/66/33/568826633.db2.gz AJKWLCSCQYIHTN-HSZRJFAPSA-N 0 0 408.571 4.940 50 0 HJAARN CCn1cc(-c2nc(-c3cccc(Br)c3)no2)c(=O)c2cc(C)ccc21 ZINC000057354792 568827497 /nfs/dbraw/zinc/82/74/97/568827497.db2.gz GXOXRRMUTIXVRK-UHFFFAOYSA-N 0 0 410.271 4.809 50 0 HJAARN CCOc1cccc2cc(C(=O)N[C@H](CC)C34CC5CC(CC(C5)C3)C4)c(=O)oc21 ZINC000005876032 568827546 /nfs/dbraw/zinc/82/75/46/568827546.db2.gz KUXMUUNNLUYUEN-SFSYZPTKSA-N 0 0 409.526 4.917 50 0 HJAARN CC(C)[C@H]1N=C2c3ccccc3N=C(SCC(=O)c3ccc(Cl)cc3)N2C1=O ZINC000002965371 568830836 /nfs/dbraw/zinc/83/08/36/568830836.db2.gz OYLGLOMUOQXRBV-GOSISDBHSA-N 0 0 411.914 4.571 50 0 HJAARN CCc1ccc(NC(=O)[C@H](CC)Sc2nc3ccccc3c(=O)n2C2CC2)cc1 ZINC000002974365 568832340 /nfs/dbraw/zinc/83/23/40/568832340.db2.gz GIZKYGVVDLQEGU-FQEVSTJZSA-N 0 0 407.539 4.803 50 0 HJAARN Cc1cc(C)n2nc(Sc3nc(C)nc4scc(-c5cccs5)c43)nc2n1 ZINC000005958337 568832354 /nfs/dbraw/zinc/83/23/54/568832354.db2.gz IWVLVCHNZHOBCK-UHFFFAOYSA-N 0 0 410.553 4.934 50 0 HJAARN CCOc1cc(CNC(=O)c2cc(-c3cccc4ccccc43)n[nH]2)ccc1OC ZINC000057413852 568833410 /nfs/dbraw/zinc/83/34/10/568833410.db2.gz MIKIDOFOZYVAMR-UHFFFAOYSA-N 0 0 401.466 4.567 50 0 HJAARN Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCC(C)C)cc1 ZINC000057425989 568834970 /nfs/dbraw/zinc/83/49/70/568834970.db2.gz JCVINIOLDBDQMC-UHFFFAOYSA-N 0 0 401.557 4.543 50 0 HJAARN CC(C)CCn1c(=O)c2sccc2nc1SCC(=O)Nc1cc(F)cc(F)c1 ZINC000057426074 568834974 /nfs/dbraw/zinc/83/49/74/568834974.db2.gz GJFSVLPMLQOVDW-UHFFFAOYSA-N 0 0 423.510 4.513 50 0 HJAARN CC[C@H](C)OC(=O)[C@H](C)n1cnc2scc(-c3ccc(OC(C)C)cc3)c2c1=O ZINC000001784788 568835257 /nfs/dbraw/zinc/83/52/57/568835257.db2.gz OOQWFVMURNJBRG-GJZGRUSLSA-N 0 0 414.527 4.815 50 0 HJAARN CCc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)CC(C)C)cc1 ZINC000003006501 568837304 /nfs/dbraw/zinc/83/73/04/568837304.db2.gz HQYODVQZJWPIEW-QFIPXVFZSA-N 0 0 411.542 4.817 50 0 HJAARN Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4ccccc4)cc3N2)cc1 ZINC000003011350 568838048 /nfs/dbraw/zinc/83/80/48/568838048.db2.gz UFVYZBMQGDAASX-MJGOQNOKSA-N 0 0 414.431 4.782 50 0 HJAARN O=C(NC1CC1)[C@H](Sc1nccn1-c1cccc(Cl)c1)c1ccc(F)cc1 ZINC000012479137 568838640 /nfs/dbraw/zinc/83/86/40/568838640.db2.gz CUQHCMJRJBOWGV-GOSISDBHSA-N 0 0 401.894 4.777 50 0 HJAARN O=C(NC1CC1)[C@H](Sc1nccn1-c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000012478768 568838686 /nfs/dbraw/zinc/83/86/86/568838686.db2.gz JBQXVXURALLTOL-GOSISDBHSA-N 0 0 401.894 4.777 50 0 HJAARN O=C(COc1cc(Cl)ccc1Cl)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000012519865 568840771 /nfs/dbraw/zinc/84/07/71/568840771.db2.gz MMKAKRGDNLRKTN-UHFFFAOYSA-N 0 0 404.297 4.655 50 0 HJAARN CCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC[C@@H]3CC)ccc2F)cc1 ZINC000003024677 568841099 /nfs/dbraw/zinc/84/10/99/568841099.db2.gz NYQSBGHUMVDMPT-SFHVURJKSA-N 0 0 418.534 4.594 50 0 HJAARN CCc1ccc(-n2c(C)nc3cc(C(=O)NCc4ccc5c(c4)OCO5)ccc32)cc1 ZINC000003025463 568841217 /nfs/dbraw/zinc/84/12/17/568841217.db2.gz UMXBJNOLRMSJGC-UHFFFAOYSA-N 0 0 413.477 4.555 50 0 HJAARN CC[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(C)cc(C)c2)c1 ZINC000003025194 568841268 /nfs/dbraw/zinc/84/12/68/568841268.db2.gz UOEJQJPBIVFHGN-SFHVURJKSA-N 0 0 418.534 4.648 50 0 HJAARN Cc1nnc(Sc2cc(C(=O)NCCc3cccc(C)c3)c3ccccc3n2)s1 ZINC000003026118 568841493 /nfs/dbraw/zinc/84/14/93/568841493.db2.gz NLSMVWVKUZYWLR-UHFFFAOYSA-N 0 0 420.563 4.827 50 0 HJAARN O=C(COc1ccc(Oc2ccccn2)cc1)Nc1ccc(Br)cc1F ZINC000012521552 568841855 /nfs/dbraw/zinc/84/18/55/568841855.db2.gz YTHPMYJRMYEEGZ-UHFFFAOYSA-N 0 0 417.234 4.793 50 0 HJAARN Cc1ccc(-c2noc(-c3cccn3CC(=O)N[C@@H](C)c3ccc(C)cc3)n2)cc1 ZINC000057486878 568842658 /nfs/dbraw/zinc/84/26/58/568842658.db2.gz QFVLJESCLQQEKJ-SFHVURJKSA-N 0 0 400.482 4.699 50 0 HJAARN O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)Nc1cc(F)ccc1F ZINC000057487262 568842986 /nfs/dbraw/zinc/84/29/86/568842986.db2.gz ZRCDCMMOEDNRIX-UHFFFAOYSA-N 0 0 414.799 4.775 50 0 HJAARN Cc1ccc(CNC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)cc1C ZINC000057487310 568843174 /nfs/dbraw/zinc/84/31/74/568843174.db2.gz ASPHLCSMBCDLRF-UHFFFAOYSA-N 0 0 420.900 4.792 50 0 HJAARN O=C1[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccccc3)N2C(=S)N1Cc1ccccc1 ZINC000002091375 568844340 /nfs/dbraw/zinc/84/43/40/568844340.db2.gz KQHVBWOSAYSHTI-UPVQGACJSA-N 0 0 423.541 4.811 50 0 biogenic HJAARN CCCOC(=O)c1c(NC(=O)[C@H]2CCCO2)sc(C)c1-c1ccc(CC)cc1 ZINC000002102570 568844362 /nfs/dbraw/zinc/84/43/62/568844362.db2.gz CGNIIDPTULNWIJ-QGZVFWFLSA-N 0 0 401.528 4.970 50 0 HJAARN C[C@@H](Oc1ccc(Br)cc1Br)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000012531375 568844389 /nfs/dbraw/zinc/84/43/89/568844389.db2.gz LNYSSRAAGKDGSC-GRYCIOLGSA-N 0 0 419.157 4.768 50 0 HJAARN COc1ccc(OC)c(CCC(=O)Nc2c(-c3ccccc3)nc3ccccn32)c1 ZINC000012535343 568845315 /nfs/dbraw/zinc/84/53/15/568845315.db2.gz HZZDANSHOSNKTE-UHFFFAOYSA-N 0 0 401.466 4.590 50 0 HJAARN Cc1nc2c(C(=O)N[C@H]3CCCC[C@H]3C)cnn2c(C)c1Cc1cccc(Cl)c1 ZINC000003033498 568845326 /nfs/dbraw/zinc/84/53/26/568845326.db2.gz OIXPITSXKCNGNN-SZNDQCEHSA-N 0 0 410.949 4.899 50 0 HJAARN Cc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2CCc2ccccc2Cl)cc1 ZINC000003036174 568845766 /nfs/dbraw/zinc/84/57/66/568845766.db2.gz OYKWWKRWXDYNPD-DEOSSOPVSA-N 0 0 424.972 4.936 50 0 HJAARN O=c1c2c(nc(SCc3cccnc3)n1Cc1ccco1)sc1c2CCCC1 ZINC000012537621 568846182 /nfs/dbraw/zinc/84/61/82/568846182.db2.gz UWIWUBSODALCEW-UHFFFAOYSA-N 0 0 409.536 4.665 50 0 HJAARN O=C(CSc1cc(NCc2ccccc2Cl)ncn1)Nc1cc(F)ccc1F ZINC000057505667 568846643 /nfs/dbraw/zinc/84/66/43/568846643.db2.gz MQEWHYRWXJCGLC-UHFFFAOYSA-N 0 0 420.872 4.751 50 0 HJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N[C@H](c1nccn1C)c1cccc(F)c1 ZINC000012541210 568848344 /nfs/dbraw/zinc/84/83/44/568848344.db2.gz VFBGBPQESIHMFG-XIKOKIGWSA-N 0 0 422.287 4.539 50 0 HJAARN CCN(CCCNC(=O)c1cc(-c2cccnc2)nc2ccccc21)c1ccccc1 ZINC000003044784 568848584 /nfs/dbraw/zinc/84/85/84/568848584.db2.gz KVUHGDJIHIMFBG-UHFFFAOYSA-N 0 0 410.521 4.943 50 0 HJAARN C[C@@H]1CCCC[C@H]1NC(=O)c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F ZINC000003044717 568848659 /nfs/dbraw/zinc/84/86/59/568848659.db2.gz JIROGDKSSUUVME-DGCLKSJQSA-N 0 0 408.449 4.785 50 0 HJAARN Cc1nc2c(C(=O)NCc3ccccc3)cnn2c(C)c1Cc1cccc(Cl)c1 ZINC000003045304 568848817 /nfs/dbraw/zinc/84/88/17/568848817.db2.gz QGBZSQNVUFILCK-UHFFFAOYSA-N 0 0 404.901 4.520 50 0 HJAARN CC(=O)c1ccc(NC(=O)CSc2cc(Oc3cc(C)cc(C)c3)ncn2)cc1 ZINC000057519712 568849177 /nfs/dbraw/zinc/84/91/77/568849177.db2.gz CGSVNXSFRWTCOS-UHFFFAOYSA-N 0 0 407.495 4.819 50 0 HJAARN CCCN(CCC)C(=O)CSc1ncccc1C(=O)Oc1ccccc1Cl ZINC000003048971 568849819 /nfs/dbraw/zinc/84/98/19/568849819.db2.gz UISGSACJOBWOPP-UHFFFAOYSA-N 0 0 406.935 4.695 50 0 HJAARN Cc1ccccc1-n1c(S[C@H](C)c2nc(C(C)C)no2)nnc1-c1cccnc1 ZINC000012545719 568850446 /nfs/dbraw/zinc/85/04/46/568850446.db2.gz FILRCGSOLDXUMP-OAHLLOKOSA-N 0 0 406.515 4.997 50 0 HJAARN C[C@H](NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc21)c1ccccc1 ZINC000003275219 568850775 /nfs/dbraw/zinc/85/07/75/568850775.db2.gz RDIWFDXHVFGTFU-INIZCTEOSA-N 0 0 416.502 4.998 50 0 HJAARN COc1ccc([C@@H](NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)c2nccn2C)cc1 ZINC000012547728 568851106 /nfs/dbraw/zinc/85/11/06/568851106.db2.gz IEXZRDGHJZSDEB-LEWJYISDSA-N 0 0 411.933 4.728 50 0 HJAARN O=C(NC1CCCCCCC1)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000003053818 568851639 /nfs/dbraw/zinc/85/16/39/568851639.db2.gz BTHGPRAHPGFBLS-UHFFFAOYSA-N 0 0 409.935 4.750 50 0 HJAARN O=C(NCCC1=CCCCC1)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)o1 ZINC000003053803 568851647 /nfs/dbraw/zinc/85/16/47/568851647.db2.gz XBDCKPQVJHIKJZ-UHFFFAOYSA-N 0 0 407.919 4.527 50 0 HJAARN O=C(NC1CCCCCC1)c1ccc(CS(=O)(=O)Cc2cccc(Cl)c2)o1 ZINC000003056925 568851887 /nfs/dbraw/zinc/85/18/87/568851887.db2.gz WWVRDUCEHRQMKN-UHFFFAOYSA-N 0 0 409.935 4.501 50 0 HJAARN COc1ccc([C@@H](NC(=O)CCc2ccc(-c3ccccc3)o2)c2nccn2C)cc1 ZINC000012549992 568852351 /nfs/dbraw/zinc/85/23/51/568852351.db2.gz IQKQSCHCVLBFGD-XMMPIXPASA-N 0 0 415.493 4.527 50 0 HJAARN COc1ccc(C(=O)COC(=O)Cc2coc3ccc4ccccc4c23)cc1OC ZINC000003302288 568852911 /nfs/dbraw/zinc/85/29/11/568852911.db2.gz OEUWZWMJYZUOSV-UHFFFAOYSA-N 0 0 404.418 4.572 50 0 HJAARN O=C(N[C@@H]1CCSC1=O)c1ccc(Oc2cc(Cl)c(Cl)cc2Cl)nc1 ZINC000003104789 568855658 /nfs/dbraw/zinc/85/56/58/568855658.db2.gz HKSWNGUOFLXEJN-GFCCVEGCSA-N 0 0 417.701 4.596 50 0 HJAARN COc1ccccc1-n1cnnc1S[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000003363097 568857489 /nfs/dbraw/zinc/85/74/89/568857489.db2.gz LDBSQQHOZIUEEI-NSHDSACASA-N 0 0 423.325 4.702 50 0 HJAARN Fc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 ZINC000012561611 568858922 /nfs/dbraw/zinc/85/89/22/568858922.db2.gz KVRHKXLTAFXWKC-GBXCKJPGSA-N 0 0 402.425 4.839 50 0 HJAARN COc1cccc(CN(C)C(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)c1 ZINC000012568587 568860983 /nfs/dbraw/zinc/86/09/83/568860983.db2.gz WLXSMCYIOVAZDC-UHFFFAOYSA-N 0 0 417.534 4.941 50 0 HJAARN COc1cc(-c2cc(C(=O)N3CCCCCC3)c3ccccc3n2)cc(OC)c1OC ZINC000003210042 568862038 /nfs/dbraw/zinc/86/20/38/568862038.db2.gz WOWUNFMZYGWYLN-UHFFFAOYSA-N 0 0 420.509 4.944 50 0 HJAARN Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000003216298 568862610 /nfs/dbraw/zinc/86/26/10/568862610.db2.gz UHUTXRWLSFGZEL-UHFFFAOYSA-N 0 0 407.853 4.675 50 0 HJAARN COc1ccc(NC(=O)COC(=O)c2c3ccccc3nc3c2CCCC3)cc1Cl ZINC000003216986 568862758 /nfs/dbraw/zinc/86/27/58/568862758.db2.gz HCHZUMBCIPCFFF-UHFFFAOYSA-N 0 0 424.884 4.571 50 0 aggregator HJAARN O=C(CCC1CCCC1)N1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 ZINC000030393228 568863291 /nfs/dbraw/zinc/86/32/91/568863291.db2.gz QRFKNHYABQYDRP-UHFFFAOYSA-N 0 0 404.963 4.810 50 0 HJAARN COc1cc(C(=O)CSc2nc(C)c(C)n2C2CCCC2)cc(OC)c1OC ZINC000012582506 568864965 /nfs/dbraw/zinc/86/49/65/568864965.db2.gz SLOGROWAENCJKZ-UHFFFAOYSA-N 0 0 404.532 4.616 50 0 HJAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@@H](c3ccc(C(C)(C)C)cc3)N2C1=O ZINC000003636711 568865053 /nfs/dbraw/zinc/86/50/53/568865053.db2.gz AIFBFOSVAYAEPS-PKOBYXMFSA-N 0 0 414.571 4.974 50 0 HJAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@H](c3ccc(SC)cc3)N2C1=O ZINC000003636755 568865197 /nfs/dbraw/zinc/86/51/97/568865197.db2.gz JOXGTVRRBSEHJW-WMZOPIPTSA-N 0 0 418.584 4.646 50 0 HJAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3ccc(C)cc3)N2C1=O ZINC000003636788 568865200 /nfs/dbraw/zinc/86/52/00/568865200.db2.gz GLKVUAJFDILJOY-PZJWPPBQSA-N 0 0 420.534 4.777 50 0 HJAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@@H](c3cccc(Cl)c3)N2C1=O ZINC000003636732 568865223 /nfs/dbraw/zinc/86/52/23/568865223.db2.gz FDXHNMGPBAILOV-NVXWUHKLSA-N 0 0 406.935 4.578 50 0 HJAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@@H](c3ccc(SC)cc3)N2C1=O ZINC000003636759 568865233 /nfs/dbraw/zinc/86/52/33/568865233.db2.gz JOXGTVRRBSEHJW-FUHWJXTLSA-N 0 0 418.584 4.646 50 0 HJAARN CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3ccc(C)cc3)N2C1=O ZINC000003636784 568865251 /nfs/dbraw/zinc/86/52/51/568865251.db2.gz GLKVUAJFDILJOY-FPOVZHCZSA-N 0 0 420.534 4.777 50 0 HJAARN O=C(CN1C(=O)c2cccc3cccc1c23)NCCSCc1cccc(Cl)c1 ZINC000003644836 568865932 /nfs/dbraw/zinc/86/59/32/568865932.db2.gz APVVSBYNHGPZIK-UHFFFAOYSA-N 0 0 410.926 4.503 50 0 HJAARN O=c1cc(CNc2ccccc2N2CCCCCC2)nc2sc3c(n21)CCCC3 ZINC000057903527 568866764 /nfs/dbraw/zinc/86/67/64/568866764.db2.gz ODAWQZSEGBWNEX-UHFFFAOYSA-N 0 0 408.571 4.627 50 0 HJAARN COC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1 ZINC000003658696 568866820 /nfs/dbraw/zinc/86/68/20/568866820.db2.gz UBYMGLYLFMEOSF-CQSZACIVSA-N 0 0 407.470 4.880 50 0 HJAARN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)CCc1nc2ccccc2s1 ZINC000012592059 568868383 /nfs/dbraw/zinc/86/83/83/568868383.db2.gz PDSZEIMSWWMNRV-NUJGCVRESA-N 0 0 403.544 4.776 50 0 HJAARN CC(C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccccc1 ZINC000003256875 568868536 /nfs/dbraw/zinc/86/85/36/568868536.db2.gz BVSJLVYEPMEWLG-UHFFFAOYSA-N 0 0 422.598 4.908 50 0 HJAARN COc1ccccc1[C@@H](NC(=O)c1oc2ccc(Cl)cc2c1C)c1nccn1C ZINC000012602093 568870202 /nfs/dbraw/zinc/87/02/02/568870202.db2.gz PSAFWWYUCPAMES-LJQANCHMSA-N 0 0 409.873 4.656 50 0 HJAARN CCOC(=O)c1ccc2c(c1)nc(SCC(=O)c1cc3ccccc3o1)n2CC ZINC000012603666 568870553 /nfs/dbraw/zinc/87/05/53/568870553.db2.gz BXWMPXZMHNABQH-UHFFFAOYSA-N 0 0 408.479 4.954 50 0 HJAARN CCn1c2ccccc2c2cc(NS(=O)(=O)c3cc(NC(C)=O)ccc3C)ccc21 ZINC000012605093 568870835 /nfs/dbraw/zinc/87/08/35/568870835.db2.gz CFNXNOFMDALGJE-UHFFFAOYSA-N 0 0 421.522 4.882 50 0 HJAARN O=C(OCc1csc(-c2ccccc2)n1)c1ccc(I)cc1 ZINC000003278606 568871280 /nfs/dbraw/zinc/87/12/80/568871280.db2.gz KYAYOVLRIWCQRH-UHFFFAOYSA-N 0 0 421.259 4.772 50 0 HJAARN O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)Nc1ccccc1OC(F)F ZINC000003279918 568871477 /nfs/dbraw/zinc/87/14/77/568871477.db2.gz ZBBACQPTZMCNAY-UHFFFAOYSA-N 0 0 411.404 4.679 50 0 HJAARN CC[C@@H](NC(=O)Nc1cc(OC)c(OC)c(OC)c1)c1ccc(Br)cc1 ZINC000057987352 568871956 /nfs/dbraw/zinc/87/19/56/568871956.db2.gz FTNBMEMZFROOBL-OAHLLOKOSA-N 0 0 423.307 4.748 50 0 HJAARN Nn1cc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1Cc1ccccc1 ZINC000003285710 568872318 /nfs/dbraw/zinc/87/23/18/568872318.db2.gz GPWOJIRGLXFHTK-UHFFFAOYSA-N 0 0 414.534 4.586 50 0 HJAARN O=C(Nc1ccc(Br)cc1)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000012618129 568872349 /nfs/dbraw/zinc/87/23/49/568872349.db2.gz VZDHIOHNJHARQJ-UHFFFAOYSA-N 0 0 400.251 4.515 50 0 HJAARN Cc1cc(C(=O)COC(=O)CCC(=O)c2cccs2)c(C)n1Cc1cccs1 ZINC000003288158 568872769 /nfs/dbraw/zinc/87/27/69/568872769.db2.gz WGJOKAQNZJPTOQ-UHFFFAOYSA-N 0 0 415.536 4.665 50 0 HJAARN O=C(COC(=O)c1ccc(-c2ccccc2)cc1)Nc1ncc(Cl)cc1Cl ZINC000003290443 568873626 /nfs/dbraw/zinc/87/36/26/568873626.db2.gz MVSLONNEUIYNCJ-UHFFFAOYSA-N 0 0 401.249 4.851 50 0 HJAARN COc1ccc(CCC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cc1OC ZINC000012625141 568877966 /nfs/dbraw/zinc/87/79/66/568877966.db2.gz KRILLPAFKRKGBI-UHFFFAOYSA-N 0 0 409.457 4.884 50 0 HJAARN COC(=O)c1ccc([C@H]2CC(=O)Nc3cccc4c3c2cn4Cc2ccccc2)cc1 ZINC000263584946 568878566 /nfs/dbraw/zinc/87/85/66/568878566.db2.gz CICPNGKCUNEESY-HXUWFJFHSA-N 0 0 410.473 4.950 50 0 biogenic HJAARN COc1ccccc1NC(=O)C(=Cc1ccc(F)cc1)C(=O)Nc1ccccc1OC ZINC000003313613 568878843 /nfs/dbraw/zinc/87/88/43/568878843.db2.gz RAKPLZVEHRRHSU-UHFFFAOYSA-N 0 0 420.440 4.504 50 0 HJAARN CCOc1ccc2ccccc2c1C(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000004032746 568879049 /nfs/dbraw/zinc/87/90/49/568879049.db2.gz PQBQQOWUXNXBNL-UHFFFAOYSA-N 0 0 414.505 4.669 50 0 HJAARN O=C(CSc1ncnc2sc3c(c21)CCCC3)NCc1ccccc1Cl ZINC000003326014 568881186 /nfs/dbraw/zinc/88/11/86/568881186.db2.gz IJBJIZYJLIGFRD-UHFFFAOYSA-N 0 0 403.960 4.632 50 0 HJAARN CCCCN1C[C@@H](c2nc3ccccc3n2CCOc2cc(C)ccc2C)CC1=O ZINC000012627851 568881424 /nfs/dbraw/zinc/88/14/24/568881424.db2.gz YIHYHRRMCDEGJJ-FQEVSTJZSA-N 0 0 405.542 4.848 50 0 HJAARN COc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000003334287 568882681 /nfs/dbraw/zinc/88/26/81/568882681.db2.gz FBMFJKUEJYOXBA-SFHVURJKSA-N 0 0 402.494 4.758 50 0 HJAARN COC(=O)c1nc(NC(=O)C[C@H](c2ccsc2)n2cccc2)sc1C(C)C ZINC000263587726 568883256 /nfs/dbraw/zinc/88/32/56/568883256.db2.gz KNKQYHFXIUXVHJ-CQSZACIVSA-N 0 0 403.529 4.534 50 0 HJAARN COc1ccc2c(CC(=O)OCc3cc(=O)oc4cc(C)c(Cl)cc34)coc2c1 ZINC000003341022 568883693 /nfs/dbraw/zinc/88/36/93/568883693.db2.gz PVAGBGLKJOYILG-UHFFFAOYSA-N 0 0 412.825 4.796 50 0 HJAARN Cc1nnc(SCC(=O)Nc2ccc3c4c(cccc42)CC3)n1-c1ccccc1 ZINC000012638844 568883868 /nfs/dbraw/zinc/88/38/68/568883868.db2.gz GXRYQFWKWDFUOJ-UHFFFAOYSA-N 0 0 400.507 4.558 50 0 HJAARN CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccc(OC)c(OC)c1)CO3 ZINC000058088663 568884191 /nfs/dbraw/zinc/88/41/91/568884191.db2.gz IGLAVPAHUABJBT-UHFFFAOYSA-N 0 0 423.509 4.813 50 0 biogenic HJAARN CCn1c2ccc(C(=O)N3CCC[C@@H]3c3cc(OC)ccc3OC)cc2[nH]c1=S ZINC000012640037 568884317 /nfs/dbraw/zinc/88/43/17/568884317.db2.gz XLAPJFXEGLCMIP-GOSISDBHSA-N 0 0 411.527 4.713 50 0 HJAARN COCCCNC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2s1 ZINC000015422407 568885731 /nfs/dbraw/zinc/88/57/31/568885731.db2.gz PAQZDMAKTHDLLA-UHFFFAOYSA-N 0 0 412.342 4.528 50 0 HJAARN COc1ccc(Cn2ncc(C)c2NC(=O)Cc2cccc3ccccc32)cc1OC ZINC000058102545 568886121 /nfs/dbraw/zinc/88/61/21/568886121.db2.gz UMGGTLXYZLBAQO-UHFFFAOYSA-N 0 0 415.493 4.591 50 0 HJAARN Cc1c(Cl)cnc(NC(=O)COC(=O)c2ccc(OCC(C)C)cc2)c1Cl ZINC000003354827 568886339 /nfs/dbraw/zinc/88/63/39/568886339.db2.gz UMEQQMKWDAXVIQ-UHFFFAOYSA-N 0 0 411.285 4.527 50 0 HJAARN CCCN(CC1CC1)C(=O)COc1ccc2c(c1)occ(Oc1ccccc1)c2=O ZINC000003361626 568888201 /nfs/dbraw/zinc/88/82/01/568888201.db2.gz DNKMAPICRDFCSK-UHFFFAOYSA-N 0 0 407.466 4.613 50 0 HJAARN CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(Nc3ccccc3C)s2)c1C ZINC000003364836 568888927 /nfs/dbraw/zinc/88/89/27/568888927.db2.gz GBERUMXYLKBPPF-UHFFFAOYSA-N 0 0 400.529 4.713 50 0 HJAARN C[C@@H](NC(=O)COC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1ccccc1 ZINC000003365001 568888950 /nfs/dbraw/zinc/88/89/50/568888950.db2.gz VQRLQPIJUHRWMH-MRVPVSSYSA-N 0 0 422.095 4.729 50 0 HJAARN Clc1ccc(CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1Cl ZINC000003364600 568888954 /nfs/dbraw/zinc/88/89/54/568888954.db2.gz KPBBCWDQRZYWTR-UHFFFAOYSA-N 0 0 418.309 4.976 50 0 HJAARN Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)Nc1nc2c(s1)CCCC2 ZINC000003374736 568891090 /nfs/dbraw/zinc/89/10/90/568891090.db2.gz RCZWAUYMKXJIHK-UHFFFAOYSA-N 0 0 400.935 4.789 50 0 HJAARN C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 ZINC000058146697 568892155 /nfs/dbraw/zinc/89/21/55/568892155.db2.gz ZGZSOKCJWBOTEQ-ZDUSSCGKSA-N 0 0 412.748 4.796 50 0 HJAARN O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1ccccc1Sc1ccccc1 ZINC000003386868 568893626 /nfs/dbraw/zinc/89/36/26/568893626.db2.gz BGYIIJKUVFDXPJ-UHFFFAOYSA-N 0 0 404.413 4.657 50 0 HJAARN O=C(Nc1ccnc(Sc2ccccn2)c1)c1ccc(COCC(F)(F)F)cc1 ZINC000058159754 568893998 /nfs/dbraw/zinc/89/39/98/568893998.db2.gz GKZMUFXLSIWEMS-UHFFFAOYSA-N 0 0 419.428 4.959 50 0 HJAARN O=c1cc(CSc2nnc(-c3ccc(F)cc3)c3ccccc32)nc2sccn21 ZINC000003410268 568897848 /nfs/dbraw/zinc/89/78/48/568897848.db2.gz GRLQWDXWIJKVIY-UHFFFAOYSA-N 0 0 420.494 4.798 50 0 HJAARN CSCC[C@@H](NCC(=O)Nc1c(Cl)cccc1Cl)c1nc2ccccc2[nH]1 ZINC000003412944 568898456 /nfs/dbraw/zinc/89/84/56/568898456.db2.gz CXOPCKHXCXIOAS-MRXNPFEDSA-N 0 0 423.369 4.892 50 0 HJAARN CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)c1cc2ccccc2o1 ZINC000003420969 568899849 /nfs/dbraw/zinc/89/98/49/568899849.db2.gz SVNWTVLFMDSIJF-UHFFFAOYSA-N 0 0 412.511 4.638 50 0 HJAARN CC(=O)c1c(C)[nH]c(C(=O)OCc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)c1C ZINC000003426163 568900542 /nfs/dbraw/zinc/90/05/42/568900542.db2.gz XCUFAPSFBVJYDC-XMMPIXPASA-N 0 0 423.440 4.938 50 0 HJAARN O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc21)NCc1ccc(Cl)cc1 ZINC000003433620 568902264 /nfs/dbraw/zinc/90/22/64/568902264.db2.gz JADGLVYNRHIESM-UHFFFAOYSA-N 0 0 420.852 4.621 50 0 HJAARN C[C@H](Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000003442573 568904126 /nfs/dbraw/zinc/90/41/26/568904126.db2.gz VDUPDSDNQUWFPC-INIZCTEOSA-N 0 0 415.518 4.720 50 0 HJAARN COc1ccc(-c2csc(NC(=O)COC(=O)c3oc4ccccc4c3C)n2)cc1 ZINC000003449137 568905081 /nfs/dbraw/zinc/90/50/81/568905081.db2.gz SHXXQHGCHVQXOD-UHFFFAOYSA-N 0 0 422.462 4.669 50 0 HJAARN C[C@@H](OC(=O)c1c(Cl)ccc(Cl)c1Cl)C(=O)Nc1ccc2c(c1)OCO2 ZINC000003458365 568906693 /nfs/dbraw/zinc/90/66/93/568906693.db2.gz ZLUXNBOBOYZVIX-MRVPVSSYSA-N 0 0 416.644 4.560 50 0 HJAARN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N(C)Cc1ccc2cc(OC)ccc2c1 ZINC000025680610 568909000 /nfs/dbraw/zinc/90/90/00/568909000.db2.gz XIMWIRMKTIHZAE-MHECFPHRSA-N 0 0 418.537 4.652 50 0 HJAARN COc1ccc(-n2c(SC[C@@H]3CCCCO3)nnc2-c2ccccc2)cc1OC ZINC000003489395 568909120 /nfs/dbraw/zinc/90/91/20/568909120.db2.gz MHTJVTKKNSEWEU-SFHVURJKSA-N 0 0 411.527 4.613 50 0 HJAARN COc1ccc(C(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)cc1OC ZINC000001265651 568909282 /nfs/dbraw/zinc/90/92/82/568909282.db2.gz GOSPGIBAZOAFGM-UHFFFAOYSA-N 0 0 401.418 4.730 50 0 HJAARN Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl ZINC000003497397 568909826 /nfs/dbraw/zinc/90/98/26/568909826.db2.gz XGJYRTSNPPWXLJ-UHFFFAOYSA-N 0 0 405.237 4.752 50 0 HJAARN Cc1ccc([C@H]2Cn3nc(-c4nc(-c5ccc(OC(C)C)cc5)no4)cc3CO2)cc1 ZINC000263615486 568910189 /nfs/dbraw/zinc/91/01/89/568910189.db2.gz CRVFDIZZHUXJNN-JOCHJYFZSA-N 0 0 416.481 4.967 50 0 HJAARN CN(C)c1cccc(CNC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1 ZINC000058310012 568910433 /nfs/dbraw/zinc/91/04/33/568910433.db2.gz OECFKBLHHZMNIK-UHFFFAOYSA-N 0 0 406.452 4.693 50 0 HJAARN CCOc1ccc([C@H]2Cn3nc(-c4nc(-c5ccccc5Cl)no4)cc3CO2)cc1 ZINC000263615596 568910484 /nfs/dbraw/zinc/91/04/84/568910484.db2.gz DDESMRFETFYFED-HXUWFJFHSA-N 0 0 422.872 4.924 50 0 HJAARN CCOc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccc(C)cc5)no4)cc3CO2)cc1 ZINC000263617095 568911285 /nfs/dbraw/zinc/91/12/85/568911285.db2.gz MBAKZDYIIUJYRN-NRFANRHFSA-N 0 0 402.454 4.579 50 0 HJAARN C[C@@H](NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000003513572 568911337 /nfs/dbraw/zinc/91/13/37/568911337.db2.gz HUWHFHYJGKDICJ-MRXNPFEDSA-N 0 0 421.880 4.605 50 0 HJAARN COc1ccc([C@@H]2Cn3cnc(-c4nc(-c5cccc(Cl)c5)no4)c3CO2)cc1 ZINC000263617912 568911717 /nfs/dbraw/zinc/91/17/17/568911717.db2.gz QJEWGPIGYBNWNR-SFHVURJKSA-N 0 0 408.845 4.534 50 0 HJAARN CCOc1ccc([C@@H]2Cn3nc(-c4nc(-c5ccc(Cl)cc5)no4)cc3CO2)cc1 ZINC000263618612 568912017 /nfs/dbraw/zinc/91/20/17/568912017.db2.gz UQHZICHZILHBIU-FQEVSTJZSA-N 0 0 422.872 4.924 50 0 HJAARN Cc1sc2ncnc(SCc3nc(=O)c4c5c(sc4[nH]3)CCCC5)c2c1C ZINC000003534240 568913501 /nfs/dbraw/zinc/91/35/01/568913501.db2.gz JXEIJKPKVGCJNX-UHFFFAOYSA-N 0 0 414.581 4.777 50 0 HJAARN CC1(C)C[C@@]2(CCO1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccco3)=NN12 ZINC000001307614 568913770 /nfs/dbraw/zinc/91/37/70/568913770.db2.gz PRQJSYYZSIZUMQ-OXJNMPFZSA-N 0 0 417.303 4.871 50 0 HJAARN O=C(CCc1c[nH]c2ccccc12)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000003538480 568913852 /nfs/dbraw/zinc/91/38/52/568913852.db2.gz NFOJHLHNEUBYEE-UHFFFAOYSA-N 0 0 416.550 4.754 50 0 HJAARN COc1cc(C=C2SC(=S)NC2=O)ccc1OCCOc1ccc(C)cc1 ZINC000083311752 568913970 /nfs/dbraw/zinc/91/39/70/568913970.db2.gz CYRDTIBZKWVSRM-PDGQHHTCSA-N 0 0 401.509 4.791 50 0 HJAARN COc1cccc(N2C(=O)C[C@H](c3cn(Cc4ccccc4)c4ccccc34)C2=O)c1 ZINC000001321752 568914420 /nfs/dbraw/zinc/91/44/20/568914420.db2.gz WQZMFCZDRSEDAU-JOCHJYFZSA-N 0 0 410.473 4.745 50 0 biogenic HJAARN O=C(CSc1nc2ccccc2[nH]1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000012691237 568915126 /nfs/dbraw/zinc/91/51/26/568915126.db2.gz UPQFPDPUUTUEOR-UHFFFAOYSA-N 0 0 420.460 4.913 50 0 HJAARN COc1ccc2c(CC(=O)Nc3nc(-c4cc(OC)ccc4OC)cs3)coc2c1 ZINC000003559288 568915640 /nfs/dbraw/zinc/91/56/40/568915640.db2.gz SEDDPJUVKMSQDQ-UHFFFAOYSA-N 0 0 424.478 4.763 50 0 HJAARN Cc1ccc(-n2c(SCC(=O)N3CCC(C)CC3)nnc2-c2ccccc2F)cc1 ZINC000003563105 568916025 /nfs/dbraw/zinc/91/60/25/568916025.db2.gz KNFNDSGELCFHID-UHFFFAOYSA-N 0 0 424.545 4.732 50 0 HJAARN COC(=O)c1ccccc1CSc1nnc(-c2ccco2)n1-c1ccccc1C ZINC000004144616 568916273 /nfs/dbraw/zinc/91/62/73/568916273.db2.gz DKIRJVIKAANUMS-UHFFFAOYSA-N 0 0 405.479 4.915 50 0 HJAARN Cc1cc(C)c(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccsc2)c(C)c1 ZINC000012716969 568918037 /nfs/dbraw/zinc/91/80/37/568918037.db2.gz OQEZVNMTMOVSSE-UHFFFAOYSA-N 0 0 422.506 4.721 50 0 HJAARN O=C(NCc1nc(-c2ccccc2)no1)c1ccccc1OCc1ccc(Cl)cc1 ZINC000012727409 568920974 /nfs/dbraw/zinc/92/09/74/568920974.db2.gz ULKASAGVNLMPMQ-UHFFFAOYSA-N 0 0 419.868 4.899 50 0 HJAARN O=C(NC[C@@H]1OCCc2ccccc21)c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000003635454 568921596 /nfs/dbraw/zinc/92/15/96/568921596.db2.gz DDWHVNHALOICSG-QFIPXVFZSA-N 0 0 420.896 4.636 50 0 HJAARN O=C(CCCc1nc2ccccc2s1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000025840258 568924079 /nfs/dbraw/zinc/92/40/79/568924079.db2.gz NOONKTJJUJLCSF-UHFFFAOYSA-N 0 0 404.539 4.902 50 0 HJAARN CCN(c1cccc(C)c1)[C@H](C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000003742084 568925496 /nfs/dbraw/zinc/92/54/96/568925496.db2.gz MJVZUQOZUYEMHB-DEOSSOPVSA-N 0 0 402.494 4.973 50 0 HJAARN COc1ccc(NC(=O)c2ccc(NCc3noc(-c4cccs4)n3)cc2)cc1 ZINC000083949940 568927650 /nfs/dbraw/zinc/92/76/50/568927650.db2.gz HBYHDFWCPCGBDK-UHFFFAOYSA-N 0 0 406.467 4.671 50 0 HJAARN Cc1cccc(NC(=O)CSCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000015477466 568927700 /nfs/dbraw/zinc/92/77/00/568927700.db2.gz DJEABWSBYYGEAQ-UHFFFAOYSA-N 0 0 411.354 4.632 50 0 HJAARN CCCn1c(SCC(=O)c2ccc(CNC(C)=O)s2)nc2cc(Cl)ccc21 ZINC000031711799 568929430 /nfs/dbraw/zinc/92/94/30/568929430.db2.gz CHOCTCGKAXILPB-UHFFFAOYSA-N 0 0 421.975 4.772 50 0 HJAARN CS(=O)(=O)c1c2nc3ccccc3nc2n(-c2ccc(F)cc2)c1-c1ccccc1 ZINC000001410409 568930107 /nfs/dbraw/zinc/93/01/07/568930107.db2.gz AFCGINUEZPBLBM-UHFFFAOYSA-N 0 0 417.465 4.783 50 0 HJAARN CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3nc4ccccc4n3C(F)F)ccc21 ZINC000031782054 568931100 /nfs/dbraw/zinc/93/11/00/568931100.db2.gz PAMUXXLBNSOPDU-LBPRGKRZSA-N 0 0 415.465 4.704 50 0 HJAARN CCC(C)(C)[C@H]1CCc2c(sc3ncn4nc(Cn5nc(C)cc5C)nc4c23)C1 ZINC000002799451 568932429 /nfs/dbraw/zinc/93/24/29/568932429.db2.gz AAPXFGIRJDTFPA-HNNXBMFYSA-N 0 0 408.575 4.742 50 0 HJAARN CCCCO[C@@H]1C[C@@H](c2ccc(OCc3ccc(OC)cc3)c(OC)c2)N(C)O1 ZINC000004002175 568932835 /nfs/dbraw/zinc/93/28/35/568932835.db2.gz KHROVKCHSKLFGG-REWPJTCUSA-N 0 0 401.503 4.734 50 0 HJAARN COC(=O)c1c(C)nsc1NC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000084026740 568933121 /nfs/dbraw/zinc/93/31/21/568933121.db2.gz REACXOGCRABZLO-UHFFFAOYSA-N 0 0 414.314 4.741 50 0 HJAARN Cc1ccc(NC(=O)Nc2snnc2C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000001416930 568934183 /nfs/dbraw/zinc/93/41/83/568934183.db2.gz ZNJCUDVYZIJNDO-UHFFFAOYSA-N 0 0 421.404 4.762 50 0 HJAARN Cc1sc2nc([C@@H](C)OC(=O)c3ccc(F)c(C(F)(F)F)c3)[nH]c(=O)c2c1C ZINC000084064848 568934390 /nfs/dbraw/zinc/93/43/90/568934390.db2.gz BUGIQNDPDNTYEW-MRVPVSSYSA-N 0 0 414.380 4.677 50 0 HJAARN Cc1nc(-c2cccc(NC(=O)[C@@H]3CC(c4ccc(Cl)s4)=NO3)c2)oc1C ZINC000084061773 568934679 /nfs/dbraw/zinc/93/46/79/568934679.db2.gz ZIHKCBMTAOCYLU-HNNXBMFYSA-N 0 0 401.875 4.805 50 0 HJAARN Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc12 ZINC000004032923 568934858 /nfs/dbraw/zinc/93/48/58/568934858.db2.gz DGGRRCZFUGJTAK-UHFFFAOYSA-N 0 0 422.956 4.969 50 0 HJAARN Cc1ccc2cc(CCNC(=O)C3(c4ccc(Cl)cc4)CCCC3)c(=O)[nH]c2c1C ZINC000004032963 568934895 /nfs/dbraw/zinc/93/48/95/568934895.db2.gz MXNCUUJAXIUTNM-UHFFFAOYSA-N 0 0 422.956 4.969 50 0 HJAARN COc1ccc(OC)c(N2C[C@H](c3nc4ccccc4n3CCC(C)C)CC2=O)c1 ZINC000004033559 568935161 /nfs/dbraw/zinc/93/51/61/568935161.db2.gz IZSQFKFGNVPKEU-QGZVFWFLSA-N 0 0 407.514 4.620 50 0 HJAARN CCc1nc2c3cc(OC)c(OC)cc3nc(SCc3cc(C)ccc3C)n2n1 ZINC000004050891 568936396 /nfs/dbraw/zinc/93/63/96/568936396.db2.gz FQIJYVJPWHSLPZ-UHFFFAOYSA-N 0 0 408.527 4.766 50 0 HJAARN Cc1c(C(=O)Nc2cnc3c(cnn3C(C)C)c2)sc2nc(C3CC3)nc(C)c12 ZINC000012749635 568937579 /nfs/dbraw/zinc/93/75/79/568937579.db2.gz NWYNCVVOVJGUIF-UHFFFAOYSA-N 0 0 406.515 4.763 50 0 HJAARN CC(C)(C)n1nc2c(c1NC(=O)c1ccc(C(=O)c3ccccc3)cc1)CSC2 ZINC000004077250 568938269 /nfs/dbraw/zinc/93/82/69/568938269.db2.gz BAQLFAMPPIMAKT-UHFFFAOYSA-N 0 0 405.523 4.868 50 0 HJAARN O=C(Nc1ccc(Cl)c(C(=O)c2ccccc2)c1)c1cc(=O)c2ccccc2o1 ZINC000004077631 568938492 /nfs/dbraw/zinc/93/84/92/568938492.db2.gz QAHXTKOAUAQMGS-UHFFFAOYSA-N 0 0 403.821 4.930 50 0 HJAARN O=C1OCC2=C1[C@H](c1ccccc1Cl)CC(=O)N2c1cccc(C(F)(F)F)c1 ZINC000001429529 568939838 /nfs/dbraw/zinc/93/98/38/568939838.db2.gz CNIUXXDPNLKBKY-AWEZNQCLSA-N 0 0 407.775 4.690 50 0 HJAARN CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2)CSC3)cc1OCC ZINC000004087612 568941037 /nfs/dbraw/zinc/94/10/37/568941037.db2.gz ZOQNCPOTFGQXPY-UHFFFAOYSA-N 0 0 423.538 4.977 50 0 HJAARN O=C(Nc1cccc2[nH]c(C(F)(F)F)nc21)c1ccc(Br)cc1F ZINC000001432237 568941152 /nfs/dbraw/zinc/94/11/52/568941152.db2.gz WSIXYCTZKAVNFC-UHFFFAOYSA-N 0 0 402.145 4.736 50 0 HJAARN COc1ccc([C@H]2CCCCCN2C(=O)CCc2nc(-c3ccccc3)no2)cc1 ZINC000012753789 568942070 /nfs/dbraw/zinc/94/20/70/568942070.db2.gz YAKDCFOUYVSRSD-OAQYLSRUSA-N 0 0 405.498 4.822 50 0 HJAARN O=C(CC[C@@H]1Cc2ccccc2NC1=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012754740 568942478 /nfs/dbraw/zinc/94/24/78/568942478.db2.gz MSZVOLCPJJCRMY-QZTJIDSGSA-N 0 0 419.550 4.594 50 0 HJAARN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cccc(F)c1 ZINC000004109827 568943987 /nfs/dbraw/zinc/94/39/87/568943987.db2.gz FVWFPWRWQOVUEN-UHFFFAOYSA-N 0 0 411.424 4.572 50 0 HJAARN CCCc1cc(=O)[nH]c(S[C@@H](C(=O)Nc2ccccc2OCC)c2ccccc2)n1 ZINC000012761253 568945361 /nfs/dbraw/zinc/94/53/61/568945361.db2.gz QNKJDLISAHXEEH-OAQYLSRUSA-N 0 0 423.538 4.593 50 0 HJAARN Cc1ccccc1-n1c(S[C@H](C)C(=O)Nc2ccccc2)nnc1-c1cccnc1 ZINC000012761169 568945447 /nfs/dbraw/zinc/94/54/47/568945447.db2.gz JZHXQFVWDWVQJK-QGZVFWFLSA-N 0 0 415.522 4.757 50 0 HJAARN Cc1nc(-c2c[nH]c(C(=O)N3CCCCC[C@@H]3C[C@@H](O)c3ccccc3)c2)cs1 ZINC000084274922 568945583 /nfs/dbraw/zinc/94/55/83/568945583.db2.gz OGLXIALFLDWJMJ-DENIHFKCSA-N 0 0 409.555 4.955 50 0 HJAARN CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1c[nH]c2ccccc21 ZINC000004138529 568945675 /nfs/dbraw/zinc/94/56/75/568945675.db2.gz YZOPRAOSGZFHDR-UHFFFAOYSA-N 0 0 405.527 4.794 50 0 HJAARN Cn1c(=O)oc2cc(NC(=O)c3csc(-c4cccc(C(F)(F)F)c4)n3)ccc21 ZINC000084311222 568945975 /nfs/dbraw/zinc/94/59/75/568945975.db2.gz SPUDIZZGMRHDJC-UHFFFAOYSA-N 0 0 419.384 4.526 50 0 HJAARN Cc1csc2nc(CSc3nnc(-c4ccccc4)o3)c(Br)n12 ZINC000004150383 568946781 /nfs/dbraw/zinc/94/67/81/568946781.db2.gz UCNYWRDRTMATKX-UHFFFAOYSA-N 0 0 407.318 4.809 50 0 HJAARN 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COc1cc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc(OC)c1 ZINC000008157024 568978357 /nfs/dbraw/zinc/97/83/57/568978357.db2.gz UXYYUWGBSBMOLG-UHFFFAOYSA-N 0 0 419.506 4.929 50 0 HJAARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCCOc1ccc(C(C)(C)C)cc1 ZINC000008157787 568978744 /nfs/dbraw/zinc/97/87/44/568978744.db2.gz WPOIXTKCRSFMGE-UHFFFAOYSA-N 0 0 405.542 4.655 50 0 HJAARN O=S(=O)(c1ccc2nc(NC3CCCCCCC3)ccc2c1)N1CCCCC1 ZINC000015728942 568979435 /nfs/dbraw/zinc/97/94/35/568979435.db2.gz WWUTWSAGGNKCJM-UHFFFAOYSA-N 0 0 401.576 4.934 50 0 HJAARN CCOC(=O)CSc1nn2c(nc(-c3ccccc3)c2NC2CCCCC2)s1 ZINC000015729613 568980226 /nfs/dbraw/zinc/98/02/26/568980226.db2.gz BCFKLIKWKQNCMN-UHFFFAOYSA-N 0 0 416.572 4.858 50 0 HJAARN O=C(CSc1ncnc2ccccc21)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000008189458 568980875 /nfs/dbraw/zinc/98/08/75/568980875.db2.gz SEAKISWBMIERFM-UHFFFAOYSA-N 0 0 414.490 4.613 50 0 HJAARN O=C(COc1ccc(F)c(Cl)c1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000008193840 568981865 /nfs/dbraw/zinc/98/18/65/568981865.db2.gz 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CCOC(=O)c1[nH]c(C)c(CN(CCc2ccccc2)C(=O)c2ccc(F)cc2)c1C ZINC000085711631 569007356 /nfs/dbraw/zinc/00/73/56/569007356.db2.gz XLRRLGVHTXMYJJ-UHFFFAOYSA-N 0 0 422.500 4.832 50 0 HJAARN CC(=O)Nc1ccc(-c2csc(NC(=O)COc3ccc(F)c(Cl)c3)n2)cc1 ZINC000012849154 569010237 /nfs/dbraw/zinc/01/02/37/569010237.db2.gz OADPEKZMXXUKBW-UHFFFAOYSA-N 0 0 419.865 4.579 50 0 HJAARN O=C(c1ccc(Cl)cc1)N1CCC(C(=O)N2CCCSc3ccccc32)CC1 ZINC000012848397 569010264 /nfs/dbraw/zinc/01/02/64/569010264.db2.gz NCBYWQVWDCLARQ-UHFFFAOYSA-N 0 0 414.958 4.721 50 0 HJAARN CC(C)c1ccc([C@@H](NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)C(C)C)cc1 ZINC000012848968 569010307 /nfs/dbraw/zinc/01/03/07/569010307.db2.gz IIOKSISZLOKWHJ-IBGZPJMESA-N 0 0 409.498 4.933 50 0 HJAARN CC[C@@H](Sc1nnc([C@@H](C)Oc2ccc(F)cc2)o1)C(=O)Nc1ccc(F)cc1 ZINC000012851159 569010479 /nfs/dbraw/zinc/01/04/79/569010479.db2.gz AQUUYFMLDXDEDK-SJKOYZFVSA-N 0 0 419.453 4.997 50 0 HJAARN CCOC(=O)c1ccccc1NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000015821561 569010678 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569017199 /nfs/dbraw/zinc/01/71/99/569017199.db2.gz UFSPDYIGIXMFCV-UHFFFAOYSA-N 0 0 417.556 4.743 50 0 HJAARN CCCC(=O)Nc1nc2cc(NS(=O)(=O)c3c(C)cc(C)cc3C)ccc2s1 ZINC000015870364 569017247 /nfs/dbraw/zinc/01/72/47/569017247.db2.gz AUPFFUJMLSEKON-UHFFFAOYSA-N 0 0 417.556 4.761 50 0 HJAARN CCn1c(CCc2cccc(NS(=O)(=O)c3ccccc3)c2)nc2ccccc21 ZINC000015870458 569017255 /nfs/dbraw/zinc/01/72/55/569017255.db2.gz PRIYOEDFMAXCCA-UHFFFAOYSA-N 0 0 405.523 4.642 50 0 HJAARN CCn1c2ccccc2nc1CCc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000015870449 569017303 /nfs/dbraw/zinc/01/73/03/569017303.db2.gz XHRAVCIJAUQONH-UHFFFAOYSA-N 0 0 423.513 4.781 50 0 HJAARN C[C@H](C(=O)NCc1cccc(Cl)c1)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000015868571 569017336 /nfs/dbraw/zinc/01/73/36/569017336.db2.gz FCRCLCMCFFBFTC-INIZCTEOSA-N 0 0 423.944 4.626 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)Cc1csc(NC(=O)Nc2ccccc2)n1 ZINC000015880592 569018285 /nfs/dbraw/zinc/01/82/85/569018285.db2.gz PYNCHSHGDLKHCW-UHFFFAOYSA-N 0 0 400.891 4.930 50 0 HJAARN 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/nfs/dbraw/zinc/01/98/99/569019899.db2.gz CRDSMKKOMSWPOD-UHFFFAOYSA-N 0 0 420.875 4.999 50 0 HJAARN CN(Cc1ccc2ccccc2c1)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000012895016 569020193 /nfs/dbraw/zinc/02/01/93/569020193.db2.gz KEPXYFCSAACGJS-UHFFFAOYSA-N 0 0 406.489 4.905 50 0 HJAARN Cc1oc(-c2ccccc2)nc1COC(=O)c1ccc(I)cc1 ZINC000012902474 569020684 /nfs/dbraw/zinc/02/06/84/569020684.db2.gz XIUJJUXGSUUFKK-UHFFFAOYSA-N 0 0 419.218 4.612 50 0 HJAARN CC(=O)Nc1cccc(NC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)c1 ZINC000012901368 569020764 /nfs/dbraw/zinc/02/07/64/569020764.db2.gz UEWUVOMQJDSOJP-UHFFFAOYSA-N 0 0 418.449 4.686 50 0 biogenic HJAARN CC[C@@H](CNC(=O)[C@H](C)Sc1nnc(-c2ccc(C)cc2)n1C)c1ccccc1 ZINC000012908024 569021571 /nfs/dbraw/zinc/02/15/71/569021571.db2.gz UDXVNEPBGYLFEI-ROUUACIJSA-N 0 0 408.571 4.581 50 0 HJAARN C[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000012908624 569021598 /nfs/dbraw/zinc/02/15/98/569021598.db2.gz MKQRMZMRWNKUQB-AWEZNQCLSA-N 0 0 400.400 4.545 50 0 HJAARN 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/nfs/dbraw/zinc/03/79/51/569037951.db2.gz CINIRXWYQJJKIW-UHFFFAOYSA-N 0 0 404.853 4.884 50 0 HJAARN CCCN1C(=O)COc2ccc(-c3noc(-c4cc5cc(Cl)ccc5[nH]4)n3)cc21 ZINC000035461264 569038251 /nfs/dbraw/zinc/03/82/51/569038251.db2.gz XEFJDOQRPFROOK-UHFFFAOYSA-N 0 0 408.845 4.674 50 0 HJAARN Cc1nnc2c(Oc3ccc(NC(=O)c4ccccc4C)cc3)nc3ccccc3n12 ZINC000035460905 569038252 /nfs/dbraw/zinc/03/82/52/569038252.db2.gz ZBAUDYQGSWCSSK-UHFFFAOYSA-N 0 0 409.449 4.939 50 0 HJAARN COC(=O)c1c(NC(=O)N2CCC[C@H]2c2ccc(OC)cc2)sc2c1CCCC2 ZINC000035476513 569038326 /nfs/dbraw/zinc/03/83/26/569038326.db2.gz CBYNNVUBIBPTOP-KRWDZBQOSA-N 0 0 414.527 4.791 50 0 HJAARN Fc1ccc(Nc2cc(-c3ccccc3)nc3nc(-c4cccnc4)nn32)cc1F ZINC000035477194 569038374 /nfs/dbraw/zinc/03/83/74/569038374.db2.gz XROWCQVGWLOBAC-UHFFFAOYSA-N 0 0 400.392 4.875 50 0 HJAARN O=C(OC[C@@H]1COc2ccccc21)c1nc2ccccc2nc1Nc1cccc(F)c1 ZINC000035479410 569038463 /nfs/dbraw/zinc/03/84/63/569038463.db2.gz HEVIVBRDMKHPAG-HNNXBMFYSA-N 0 0 415.424 4.846 50 0 HJAARN Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000035479127 569038482 /nfs/dbraw/zinc/03/84/82/569038482.db2.gz RFKJWQZMOGQEHE-UHFFFAOYSA-N 0 0 424.566 4.910 50 0 HJAARN COc1cccc(Cn2ncc3ccc(C(=O)NCc4cccc(Cl)c4)cc32)c1 ZINC000035505022 569040821 /nfs/dbraw/zinc/04/08/21/569040821.db2.gz FHNRSKYLCDHCDV-UHFFFAOYSA-N 0 0 405.885 4.677 50 0 HJAARN Cc1noc(C)c1Cn1cccc1-c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000090610235 569042688 /nfs/dbraw/zinc/04/26/88/569042688.db2.gz RIKOTCNEGSIEQB-UHFFFAOYSA-N 0 0 404.348 4.757 50 0 HJAARN CCCn1c2nnc(SCc3c(F)cccc3Cl)n2c2ccsc2c1=O ZINC000035529150 569044114 /nfs/dbraw/zinc/04/41/14/569044114.db2.gz XAGWZSHJTBZGIP-UHFFFAOYSA-N 0 0 408.911 4.601 50 0 HJAARN CC(C)Cn1c2nnc(SCc3cccc(Cl)c3)n2c2ccsc2c1=O ZINC000035529118 569044134 /nfs/dbraw/zinc/04/41/34/569044134.db2.gz GDJPWYOMYXIGRR-UHFFFAOYSA-N 0 0 404.948 4.707 50 0 HJAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1nnc(COc2ccc(F)cc2)o1 ZINC000035529345 569044165 /nfs/dbraw/zinc/04/41/65/569044165.db2.gz 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569050375 /nfs/dbraw/zinc/05/03/75/569050375.db2.gz VXQLJOIGJNNWRJ-INIZCTEOSA-N 0 0 420.538 4.942 50 0 HJAARN COC(=O)c1c(NC(=O)CCCOc2ccc(C)cc2)sc2c1CC[C@H](C)C2 ZINC000001773377 569052482 /nfs/dbraw/zinc/05/24/82/569052482.db2.gz YUIBVKXLJBEKDA-HNNXBMFYSA-N 0 0 401.528 4.766 50 0 HJAARN CC(C)(C)[C@H]1CCc2c(sc3nnn(Cc4c(F)cccc4Cl)c(=O)c32)C1 ZINC000001785000 569052930 /nfs/dbraw/zinc/05/29/30/569052930.db2.gz DHZYUZGXPFCCSJ-NSHDSACASA-N 0 0 405.926 4.845 50 0 HJAARN C[C@@H](NC(=O)CN1CCCC[C@H]1c1nc2ccccc2s1)c1cc2ccccc2o1 ZINC000239274870 569054053 /nfs/dbraw/zinc/05/40/53/569054053.db2.gz AUWGLUHSDQKTAB-APWZRJJASA-N 0 0 419.550 5.447 50 0 HJAARN CC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H](c2ccccc2)C=C[C@H]3c2ccccc2)c1 ZINC000239439268 569054415 /nfs/dbraw/zinc/05/44/15/569054415.db2.gz ZRLFIXJRKNCCHY-QEGGNFSNSA-N 0 0 421.496 5.132 50 0 HJAARN CN(C(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000241693985 569054887 /nfs/dbraw/zinc/05/48/87/569054887.db2.gz 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/nfs/dbraw/zinc/06/11/61/569061161.db2.gz SUSXPLBDGYZNTH-HXUWFJFHSA-N 0 0 417.278 4.641 50 0 HJAARN Cc1cc(C(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccccc2)c(C)n1C ZINC000006500655 569061560 /nfs/dbraw/zinc/06/15/60/569061560.db2.gz MJFQRQYRSAAXPB-UHFFFAOYSA-N 0 0 420.538 4.825 50 0 HJAARN C1OC2(CCCCC2)O[C@H]1[C@H]1OC2(CCCCC2)O[C@H]1[C@H]1COC2(CCCCC2)O1 ZINC000064427920 569061746 /nfs/dbraw/zinc/06/17/46/569061746.db2.gz WGMZNGZBEGHRHH-NCYKPQTJSA-N 0 0 422.562 4.582 50 0 HJAARN O=C(CSc1ccccc1C(=O)Nc1nccs1)NC1CCCCCCC1 ZINC000006509585 569061955 /nfs/dbraw/zinc/06/19/55/569061955.db2.gz UXAZAGBYOJUUFC-UHFFFAOYSA-N 0 0 403.573 4.717 50 0 HJAARN Cc1ccc(C)c(NC(=O)COC(=O)CCCSc2nc3ccccc3s2)c1 ZINC000006510888 569062254 /nfs/dbraw/zinc/06/22/54/569062254.db2.gz BUZRYUMCVWKXRQ-UHFFFAOYSA-N 0 0 414.552 4.967 50 0 HJAARN O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)OCc1ccccc1 ZINC000035847798 569062699 /nfs/dbraw/zinc/06/26/99/569062699.db2.gz IPKAYGSVAVDUTR-UHFFFAOYSA-N 0 0 419.481 4.909 50 0 HJAARN Cc1cc(NC(=O)[C@@H]2CCCN(c3nccnc3Oc3ccccc3)C2)ccc1F ZINC000064452468 569062901 /nfs/dbraw/zinc/06/29/01/569062901.db2.gz OIQBBQYYDSQHEL-QGZVFWFLSA-N 0 0 406.461 4.572 50 0 HJAARN COc1cc2nc(C(=O)N3CCCCC3)cc(Nc3cccc(C)c3)c2cc1OC ZINC000064474040 569063605 /nfs/dbraw/zinc/06/36/05/569063605.db2.gz MFIYUYBQTREIGP-UHFFFAOYSA-N 0 0 405.498 4.930 50 0 HJAARN CCN(CC(=O)Nc1c(F)cccc1F)C(=O)C(c1ccccc1)c1ccccc1 ZINC000006543677 569064947 /nfs/dbraw/zinc/06/49/47/569064947.db2.gz UKTHYQTXJJWLPA-UHFFFAOYSA-N 0 0 408.448 4.584 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1Oc1ccccc1 ZINC000006551800 569065191 /nfs/dbraw/zinc/06/51/91/569065191.db2.gz CZSQPGAPKFWBIW-UHFFFAOYSA-N 0 0 411.841 4.936 50 0 HJAARN Cc1ccc(NC(=O)CN(CCC(C)C)CC(=O)Nc2ccc(C)c(C)c2)cc1C ZINC000006551088 569065389 /nfs/dbraw/zinc/06/53/89/569065389.db2.gz VREFOQNXADQGNO-UHFFFAOYSA-N 0 0 409.574 4.846 50 0 HJAARN O=C(N[C@@H]1CCCc2ccccc21)c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000006553479 569065597 /nfs/dbraw/zinc/06/55/97/569065597.db2.gz JMDCQFIROLBLDN-XMMPIXPASA-N 0 0 408.505 4.801 50 0 HJAARN CC[C@H]1Oc2ccc(NC(=O)C(C)C)cc2CN(Cc2ccc(F)cc2Cl)C1=O ZINC000035909871 569065870 /nfs/dbraw/zinc/06/58/70/569065870.db2.gz WCHPVWNJAHZBJD-LJQANCHMSA-N 0 0 418.896 4.773 50 0 HJAARN C[C@H](c1ccc(F)cc1)N1Cc2cc(NC(=O)Nc3ccccc3)ccc2OCC1=O ZINC000035909983 569065871 /nfs/dbraw/zinc/06/58/71/569065871.db2.gz SUTBGBYTVCSFOW-MRXNPFEDSA-N 0 0 419.456 4.952 50 0 HJAARN COc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccccc3F)cc2)cc1 ZINC000035910920 569065962 /nfs/dbraw/zinc/06/59/62/569065962.db2.gz HLDXJKFNEDRMOQ-HSZRJFAPSA-N 0 0 422.481 4.865 50 0 HJAARN O=C(COc1cccc(C(F)(F)F)c1)Nc1cc2c(cc1Cl)OCCCO2 ZINC000026980923 569066472 /nfs/dbraw/zinc/06/64/72/569066472.db2.gz MMQSVRSRTDWKFZ-UHFFFAOYSA-N 0 0 401.768 4.538 50 0 HJAARN Cc1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccccc2)cc1 ZINC000064558162 569066952 /nfs/dbraw/zinc/06/69/52/569066952.db2.gz XGJVQCLGIUTKNC-NRFANRHFSA-N 0 0 419.502 4.635 50 0 HJAARN COc1ccccc1Oc1cc(-c2ccc(C(=O)NCc3ccccc3)cc2)ncn1 ZINC000064568566 569067633 /nfs/dbraw/zinc/06/76/33/569067633.db2.gz AJLDOXCQNQFJBB-UHFFFAOYSA-N 0 0 411.461 4.875 50 0 biogenic HJAARN Cc1sc2ncnc(SCC(=O)N[C@@H]3CCCOc4ccc(F)cc43)c2c1C ZINC000054283373 569069011 /nfs/dbraw/zinc/06/90/11/569069011.db2.gz WZNQTWBPCNJJSX-OAHLLOKOSA-N 0 0 417.531 4.569 50 0 HJAARN Cc1c(Cl)cccc1-n1ccn2c(SCc3ccccc3Cl)nnc2c1=O ZINC000064593745 569069569 /nfs/dbraw/zinc/06/95/69/569069569.db2.gz LXUVPBLRZWWMIH-UHFFFAOYSA-N 0 0 417.321 4.788 50 0 HJAARN C=Cc1ccc(CSc2nnc3c(=O)n(-c4ccc(C(C)C)cc4)ccn23)cc1 ZINC000064593923 569069619 /nfs/dbraw/zinc/06/96/19/569069619.db2.gz DGSPARXADZQCKE-UHFFFAOYSA-N 0 0 402.523 4.939 50 0 HJAARN CC[C@H](C)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000006602201 569069988 /nfs/dbraw/zinc/06/99/88/569069988.db2.gz RFVNMFOWKOEEMM-KRWDZBQOSA-N 0 0 410.539 4.613 50 0 HJAARN Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3cccc(-c4ncco4)c3)c12 ZINC000089567364 569070300 /nfs/dbraw/zinc/07/03/00/569070300.db2.gz RFMQAOUAGVESPV-UHFFFAOYSA-N 0 0 415.478 4.913 50 0 HJAARN Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)c2ccccc2n1 ZINC000089582910 569070641 /nfs/dbraw/zinc/07/06/41/569070641.db2.gz HVSBGHYXKKBDPO-OXQOHEQNSA-N 0 0 400.400 4.510 50 0 HJAARN O=C(N/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)N1CCCC1)c1ccccc1 ZINC000027025146 569070977 /nfs/dbraw/zinc/07/09/77/569070977.db2.gz WRLLBQQNBXNLMG-PGMHBOJBSA-N 0 0 420.896 4.993 50 0 HJAARN Cc1ccc(CNC(=O)c2cccc(Nc3ncc(-c4ccc(F)cc4)cn3)c2)o1 ZINC000064605877 569071119 /nfs/dbraw/zinc/07/11/19/569071119.db2.gz VFXJXFWLZZDUHT-UHFFFAOYSA-N 0 0 402.429 4.858 50 0 HJAARN COC(=O)/C(=C/c1ccc(Br)cc1)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000004892917 569071596 /nfs/dbraw/zinc/07/15/96/569071596.db2.gz VRIMIYKFACPNDF-AQTBWJFISA-N 0 0 416.315 4.691 50 0 HJAARN CCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(=O)COC ZINC000035980752 569071900 /nfs/dbraw/zinc/07/19/00/569071900.db2.gz MKFMZCODQDTHCM-UHFFFAOYSA-N 0 0 407.514 4.573 50 0 HJAARN CCCCOc1cccc(NC(=O)c2cc3cc(Br)ccc3oc2=O)c1 ZINC000002056539 569072465 /nfs/dbraw/zinc/07/24/65/569072465.db2.gz XKRRABOJCJYYMD-UHFFFAOYSA-N 0 0 416.271 4.987 50 0 HJAARN COc1ccccc1NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1 ZINC000002067051 569074034 /nfs/dbraw/zinc/07/40/34/569074034.db2.gz DCPWBAXFFFXKIL-HKWRFOASSA-N 0 0 406.869 4.758 50 0 HJAARN Cc1cc(C)c(NC(=O)CCCSCC(=O)Nc2cc(F)ccc2F)c(C)c1 ZINC000006610743 569074243 /nfs/dbraw/zinc/07/42/43/569074243.db2.gz QUVDTYSIMDJDPY-UHFFFAOYSA-N 0 0 406.498 4.981 50 0 HJAARN O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1ccc(Cl)cc1F ZINC000006612168 569074258 /nfs/dbraw/zinc/07/42/58/569074258.db2.gz REXBSWNGMZSBSP-UHFFFAOYSA-N 0 0 411.816 4.899 50 0 HJAARN Cc1coc2cc3oc(=O)c(CC(=O)N[C@H](C)CCc4ccccc4)c(C)c3cc12 ZINC000006623816 569075341 /nfs/dbraw/zinc/07/53/41/569075341.db2.gz DALYDAZGUYAUHE-MRXNPFEDSA-N 0 0 403.478 4.836 50 0 biogenic HJAARN CC(=O)Nc1ccc(NC(=O)Cc2c(C)c3c4occ(C)c4c(C)cc3oc2=O)cc1 ZINC000006623898 569075375 /nfs/dbraw/zinc/07/53/75/569075375.db2.gz AUQXZBAMHAYSLA-UHFFFAOYSA-N 0 0 418.449 4.604 50 0 biogenic HJAARN Cc1oc2cc3oc(=O)c(CCC(=O)Nc4nc5ccccc5[nH]4)c(C)c3cc2c1C ZINC000006624599 569075592 /nfs/dbraw/zinc/07/55/92/569075592.db2.gz NDIKOTOGBCKLMB-UHFFFAOYSA-N 0 0 415.449 4.912 50 0 biogenic HJAARN COc1ccc(OC)c(-c2cc(CN(CC(C)C)C(=O)c3cccs3)no2)c1 ZINC000036012152 569075742 /nfs/dbraw/zinc/07/57/42/569075742.db2.gz VDUNGLHBYBODMN-UHFFFAOYSA-N 0 0 400.500 4.719 50 0 HJAARN CCn1c(C)c(C(=O)CN(C(=O)c2ccccc2)C2CCCCC2)c(C)c1C(=O)OC ZINC000036018671 569077207 /nfs/dbraw/zinc/07/72/07/569077207.db2.gz KSJLXANKZXOLTR-UHFFFAOYSA-N 0 0 424.541 4.569 50 0 HJAARN CC(C)OC(=O)c1cc2ccsc2n1CC(=O)Nc1ccc(Br)cc1 ZINC000064659120 569077683 /nfs/dbraw/zinc/07/76/83/569077683.db2.gz ZCNLPYANTVJENN-UHFFFAOYSA-N 0 0 421.316 4.669 50 0 HJAARN CCOc1cccc(CNC(=O)c2ccc3cnn(Cc4ccc(F)cc4)c3c2)c1 ZINC000064664827 569078155 /nfs/dbraw/zinc/07/81/55/569078155.db2.gz KJAKKCYYVAFJQV-UHFFFAOYSA-N 0 0 403.457 4.552 50 0 HJAARN COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccccc2)c1 ZINC000006642245 569078331 /nfs/dbraw/zinc/07/83/31/569078331.db2.gz ROXJCVJZPAJKGV-QDZLFNKNSA-N 0 0 421.537 4.612 50 0 biogenic HJAARN COc1ccc2cc(CN(C)CC(=O)Nc3ccccc3SC)c(Cl)nc2c1 ZINC000006647634 569079448 /nfs/dbraw/zinc/07/94/48/569079448.db2.gz NXEJSQFZRNWDLO-UHFFFAOYSA-N 0 0 415.946 4.689 50 0 HJAARN O=C(c1ccnc(-c2cccs2)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000064676013 569080192 /nfs/dbraw/zinc/08/01/92/569080192.db2.gz QBKHPAFYJJPKSC-UHFFFAOYSA-N 0 0 417.456 4.791 50 0 HJAARN Cc1ccc(-c2nc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)cs2)s1 ZINC000064676436 569080329 /nfs/dbraw/zinc/08/03/29/569080329.db2.gz MFICBVJDFFOGHE-UHFFFAOYSA-N 0 0 403.960 4.796 50 0 HJAARN CCN1c2cc(C(=O)Nc3ccc(OC)cc3OC)ccc2Oc2ccccc2C1=O ZINC000064677293 569081484 /nfs/dbraw/zinc/08/14/84/569081484.db2.gz GWWYPKRTWBNUTD-UHFFFAOYSA-N 0 0 418.449 4.729 50 0 HJAARN CCN1c2cc(C(=O)Nc3cc(OC)ccc3OC)ccc2Oc2ccccc2C1=O ZINC000064677311 569081560 /nfs/dbraw/zinc/08/15/60/569081560.db2.gz GPEFCMDBJADYJS-UHFFFAOYSA-N 0 0 418.449 4.729 50 0 HJAARN COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)CC(C)C)N(Cc1cccc(C)c1)CC2 ZINC000036043147 569082498 /nfs/dbraw/zinc/08/24/98/569082498.db2.gz OLZMJHFNJLMXNH-NIYFSFCBSA-N 0 0 424.585 4.662 50 0 HJAARN COc1ccccc1CNCc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000006653525 569082615 /nfs/dbraw/zinc/08/26/15/569082615.db2.gz GRZWIIIZFWRXMB-UHFFFAOYSA-N 0 0 411.914 4.603 50 0 HJAARN COc1ccccc1-c1noc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000064747600 569088964 /nfs/dbraw/zinc/08/89/64/569088964.db2.gz ZERIBZMGMBQXBX-INIZCTEOSA-N 0 0 416.840 4.907 50 0 HJAARN CCOc1ccc([C@H](NC(=O)/C=C\c2ccco2)c2ccc(OC)c(OC)c2)cc1 ZINC000036089858 569089360 /nfs/dbraw/zinc/08/93/60/569089360.db2.gz QEHUSASEHIDEIZ-JYAZYPBOSA-N 0 0 407.466 4.615 50 0 HJAARN CC(C)N(Cc1nccn1Cc1c(F)cccc1Cl)C(=O)c1cccc(F)c1 ZINC000006689210 569089471 /nfs/dbraw/zinc/08/94/71/569089471.db2.gz IBDDUGMGNMIVHO-UHFFFAOYSA-N 0 0 403.860 4.914 50 0 HJAARN Cc1sc2ncnc(N3CCCCCC3)c2c1C(=O)Nc1ccc(F)c(F)c1 ZINC000064758018 569091154 /nfs/dbraw/zinc/09/11/54/569091154.db2.gz REXXEEPQEIYDBL-UHFFFAOYSA-N 0 0 402.470 4.911 50 0 HJAARN CCNC(=O)c1ccc(CSc2nc(C)c(C)c(N(C)Cc3ccccc3)n2)cc1 ZINC000006695196 569091529 /nfs/dbraw/zinc/09/15/29/569091529.db2.gz ZGRZJTUHNPHALA-UHFFFAOYSA-N 0 0 420.582 4.772 50 0 HJAARN CCCN(C)c1cc(C(C)C)nc(SCc2ccc(C(=O)NCC3CC3)cc2)n1 ZINC000006695753 569091741 /nfs/dbraw/zinc/09/17/41/569091741.db2.gz XIFHJBZHEJRKEY-UHFFFAOYSA-N 0 0 412.603 4.878 50 0 HJAARN CC(C)NC(=O)N(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000006696256 569091888 /nfs/dbraw/zinc/09/18/88/569091888.db2.gz HFYHYBREDXWIQI-LJQANCHMSA-N 0 0 403.885 4.592 50 0 HJAARN COc1ccccc1OCc1nc(CN(CC(C)C)C(=O)C2CCCC2)cs1 ZINC000036105672 569092920 /nfs/dbraw/zinc/09/29/20/569092920.db2.gz OLBVASBRDMIGBN-UHFFFAOYSA-N 0 0 402.560 4.906 50 0 HJAARN CC[C@@H](C)N(Cc1csc(COc2ccc(OC)cc2)n1)C(=O)NC(C)(C)C ZINC000036115127 569094121 /nfs/dbraw/zinc/09/41/21/569094121.db2.gz GTIVTWAKDWCGQG-OAHLLOKOSA-N 0 0 405.564 4.839 50 0 HJAARN CCn1c(SCC(=O)Nc2ccccc2C)nnc1[C@H]1C[C@@H]1c1ccc(C)cc1 ZINC000006711141 569096643 /nfs/dbraw/zinc/09/66/43/569096643.db2.gz RIYDYHAYTLTHOZ-MOPGFXCFSA-N 0 0 406.555 4.917 50 0 HJAARN COc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)c2ccc(C)c(F)c2)cc1 ZINC000036148785 569098779 /nfs/dbraw/zinc/09/87/79/569098779.db2.gz SGDCFMLPBHMEHY-UHFFFAOYSA-N 0 0 403.450 4.677 50 0 HJAARN CC(C)C(=O)Nc1ccc(N(C)C)c(CN(CC2CC2)C(=O)c2cccc(F)c2)c1 ZINC000006722042 569099398 /nfs/dbraw/zinc/09/93/98/569099398.db2.gz NBYJWRYFWTYIEO-UHFFFAOYSA-N 0 0 411.521 4.539 50 0 HJAARN CC[C@@H](C)N(Cc1cc(NC(=O)c2cccc(F)c2)ccc1N(C)C)C(=O)C1CC1 ZINC000006722149 569099404 /nfs/dbraw/zinc/09/94/04/569099404.db2.gz ZKCXBLCGKLUTGZ-MRXNPFEDSA-N 0 0 411.521 4.681 50 0 HJAARN CCC(=O)N(Cc1cc(NC(=O)NC(C)C)ccc1N(C)C)[C@H](C)c1ccccc1 ZINC000006723195 569099443 /nfs/dbraw/zinc/09/94/43/569099443.db2.gz PYUYCLFRBZJSPE-GOSISDBHSA-N 0 0 410.562 4.782 50 0 HJAARN CC(=O)N(Cc1cc(NC(=O)c2ccco2)ccc1N(C)C)[C@H](C)c1ccccc1 ZINC000006722897 569099900 /nfs/dbraw/zinc/09/99/00/569099900.db2.gz NNUWLPVMSAIGJQ-QGZVFWFLSA-N 0 0 405.498 4.708 50 0 HJAARN Cc1ccc(C(=O)N2CCS[C@@]23c2ccccc2N(Cc2ccccc2)C3=O)cc1 ZINC000036152500 569100168 /nfs/dbraw/zinc/10/01/68/569100168.db2.gz IDAVNDMRAGEDAB-RUZDIDTESA-N 0 0 414.530 4.584 50 0 HJAARN CC(C)C(=O)N1CC(C)(C)S[C@]12c1ccccc1N(Cc1ccc(F)cc1)C2=O ZINC000036152827 569100254 /nfs/dbraw/zinc/10/02/54/569100254.db2.gz HLLNDBJAAOWDNN-QHCPKHFHSA-N 0 0 412.530 4.535 50 0 HJAARN CCn1nc(C)c2nc(SCc3ccccc3)n(Cc3ccc(C)cc3)c(=O)c21 ZINC000064817168 569100815 /nfs/dbraw/zinc/10/08/15/569100815.db2.gz DFNJBSMRUFEUMJ-UHFFFAOYSA-N 0 0 404.539 4.570 50 0 HJAARN Cc1ccc(CN2c3ccccc3[C@]3(SCCN3C(=O)c3ccccc3)C2=O)cc1 ZINC000036164375 569103141 /nfs/dbraw/zinc/10/31/41/569103141.db2.gz GMLXHHLZZMORNJ-VWLOTQADSA-N 0 0 414.530 4.584 50 0 HJAARN COc1ccccc1C(=O)n1nc(-c2ccccc2)nc1NCc1ccc(Cl)cc1 ZINC000006732747 569103871 /nfs/dbraw/zinc/10/38/71/569103871.db2.gz UUBOYGYFQXXSPF-UHFFFAOYSA-N 0 0 418.884 4.908 50 0 HJAARN Cc1ccc(-c2noc(CN(C(=O)c3ccc(Br)cc3)C(C)C)n2)cc1 ZINC000006736946 569104784 /nfs/dbraw/zinc/10/47/84/569104784.db2.gz JGMZDGSQLSQGPT-UHFFFAOYSA-N 0 0 414.303 4.858 50 0 HJAARN Cc1cccc(-c2noc(CN(C(=O)[C@@H](C)Oc3cccc(Cl)c3)C(C)C)n2)c1 ZINC000006737008 569104832 /nfs/dbraw/zinc/10/48/32/569104832.db2.gz AGXIMHYNVZYQPY-MRXNPFEDSA-N 0 0 413.905 4.903 50 0 HJAARN Cc1ccc(-c2nc(CCN(C)C(=O)Nc3ccccc3Br)no2)cc1 ZINC000064839866 569105329 /nfs/dbraw/zinc/10/53/29/569105329.db2.gz ZWHKOYGESFBKOB-UHFFFAOYSA-N 0 0 415.291 4.514 50 0 HJAARN COc1ccc(NC[C@@H]2[C@@H](Oc3ccc(Cl)cc3)C(=O)N2c2ccccc2C)cc1 ZINC000006745476 569107717 /nfs/dbraw/zinc/10/77/17/569107717.db2.gz UJNWGDLPKFIPSV-DHIUTWEWSA-N 0 0 422.912 4.932 50 0 HJAARN COCCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000006743320 569107943 /nfs/dbraw/zinc/10/79/43/569107943.db2.gz LTBAPOKHFOZDEH-FQEVSTJZSA-N 0 0 411.885 4.645 50 0 HJAARN COc1cc(C(=O)Nc2cccc(-c3noc(C4CCCC4)n3)c2)cc(OC)c1OC ZINC000064844880 569107984 /nfs/dbraw/zinc/10/79/84/569107984.db2.gz AINVKCKTABNIPV-UHFFFAOYSA-N 0 0 423.469 4.672 50 0 HJAARN CCc1ccc(-c2nc3c(c(=O)[nH]2)Cc2cc(Br)cc(OC)c2O3)cc1 ZINC000006748506 569108978 /nfs/dbraw/zinc/10/89/78/569108978.db2.gz XKVFXHFBSRPUMW-UHFFFAOYSA-N 0 0 413.271 4.879 50 0 HJAARN CCC[C@@H](O)CN(Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1)C(C)C ZINC000036206183 569109527 /nfs/dbraw/zinc/10/95/27/569109527.db2.gz KXYHYGHKWJTWGG-MRXNPFEDSA-N 0 0 419.978 4.676 50 0 HJAARN CC[C@@H]1CCCCN1C(=O)Cn1c2cnccc2nc1SCc1cccc(OC)c1 ZINC000006752262 569110323 /nfs/dbraw/zinc/11/03/23/569110323.db2.gz KUJHXXFSWFVZJP-GOSISDBHSA-N 0 0 424.570 4.523 50 0 HJAARN CCc1ccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 ZINC000006753255 569110741 /nfs/dbraw/zinc/11/07/41/569110741.db2.gz HSXYSGBGZBCHEV-XMMPIXPASA-N 0 0 413.477 4.992 50 0 HJAARN CCc1ccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 ZINC000006753256 569110771 /nfs/dbraw/zinc/11/07/71/569110771.db2.gz HSXYSGBGZBCHEV-DEOSSOPVSA-N 0 0 413.477 4.992 50 0 HJAARN COc1ccc(NC(=O)N2CCc3nc(-c4ccc(C)cc4)sc3C2)c(OC)c1 ZINC000064868063 569111844 /nfs/dbraw/zinc/11/18/44/569111844.db2.gz GBLYTTXXIUIARO-UHFFFAOYSA-N 0 0 409.511 4.726 50 0 HJAARN COC(=O)CC1=CC(SCC(=O)Nc2c(C)cc(C)cc2C)=Nc2ccccc2N1 ZINC000064869466 569112163 /nfs/dbraw/zinc/11/21/63/569112163.db2.gz TUDSQNHBQGLCEW-UHFFFAOYSA-N 0 0 423.538 4.886 50 0 HJAARN COC(=O)CC1=CC(S[C@H](C)C(=O)Nc2cccc(C)c2C)=Nc2ccccc2N1 ZINC000064869640 569112348 /nfs/dbraw/zinc/11/23/48/569112348.db2.gz QSEYSRJYFAWMDV-MRXNPFEDSA-N 0 0 423.538 4.966 50 0 HJAARN Cc1c2oc3c(c2cc2c(C)c(CC(=O)Nc4nccs4)c(=O)oc12)CCCC3 ZINC000006760424 569113366 /nfs/dbraw/zinc/11/33/66/569113366.db2.gz KLYWFUXOZGXWID-UHFFFAOYSA-N 0 0 408.479 4.673 50 0 HJAARN Cc1ccc(-c2cc(N3CCC(C(=O)NCc4ccccc4Cl)CC3)ncn2)cc1 ZINC000064872865 569113800 /nfs/dbraw/zinc/11/38/00/569113800.db2.gz AWJNTGMWZYSDCR-UHFFFAOYSA-N 0 0 420.944 4.638 50 0 HJAARN CC(C)CN(CCC(=O)NC(C)C)c1nc(-c2ccco2)nc2cc(Cl)ccc21 ZINC000006765799 569114748 /nfs/dbraw/zinc/11/47/48/569114748.db2.gz VLRCOGKJASTXEP-UHFFFAOYSA-N 0 0 414.937 4.920 50 0 HJAARN CCc1cccc(C)c1NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 ZINC000006766764 569114872 /nfs/dbraw/zinc/11/48/72/569114872.db2.gz GCCBUKMJLNXVKK-UHFFFAOYSA-N 0 0 420.534 4.561 50 0 HJAARN Cc1cc(C)c(S(=O)(=O)NCCn2c3ccccc3nc2-c2ccccc2)cc1C ZINC000064888216 569115475 /nfs/dbraw/zinc/11/54/75/569115475.db2.gz CSALJBCSRZNXBP-UHFFFAOYSA-N 0 0 419.550 4.607 50 0 HJAARN COc1cc(CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1 ZINC000036246324 569116500 /nfs/dbraw/zinc/11/65/00/569116500.db2.gz FVSACGOHOFFSHM-UHFFFAOYSA-N 0 0 415.486 4.547 50 0 HJAARN COc1ccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1OC ZINC000036246382 569116622 /nfs/dbraw/zinc/11/66/22/569116622.db2.gz LOLWCTUSRIEJTN-UHFFFAOYSA-N 0 0 417.914 4.753 50 0 HJAARN COc1cc(CN(c2cccc(C)c2)S(=O)(=O)c2cccc(F)c2)cc(OC)c1 ZINC000036248330 569117354 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Cc1ccc(C2=NO[C@H](CN(Cc3ccccc3)C(=O)c3ccccc3F)C2)cc1 ZINC000006776798 569118768 /nfs/dbraw/zinc/11/87/68/569118768.db2.gz JOJIFRJUHAYUEI-NRFANRHFSA-N 0 0 402.469 4.970 50 0 HJAARN CCOC(=O)c1ccc(NC(=O)Nc2nnc(N(CC)c3ccccc3)s2)cc1 ZINC000006780255 569119479 /nfs/dbraw/zinc/11/94/79/569119479.db2.gz WDEGLFIJEVQQNH-UHFFFAOYSA-N 0 0 411.487 4.517 50 0 HJAARN CCCOC(=O)c1ccc(Nc2nc3ccccc3nc2-n2nc(C)cc2C)cc1 ZINC000006786009 569121808 /nfs/dbraw/zinc/12/18/08/569121808.db2.gz RHTJHPFDGBMECZ-UHFFFAOYSA-N 0 0 401.470 4.743 50 0 HJAARN O=C(CSc1nnc(NCc2ccccc2)s1)Nc1ccc(Cl)cc1F ZINC000006788657 569122596 /nfs/dbraw/zinc/12/25/96/569122596.db2.gz YQBZBJZYVJDWSB-UHFFFAOYSA-N 0 0 408.911 4.674 50 0 HJAARN COCCn1c(SCC(=O)c2cc(C)ccc2C)nnc1-c1ccc(Cl)cc1 ZINC000006790048 569124124 /nfs/dbraw/zinc/12/41/24/569124124.db2.gz FOAIRUKLYPLKCO-UHFFFAOYSA-N 0 0 415.946 4.837 50 0 HJAARN CCc1ccc(OC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2)cc1 ZINC000006790831 569124605 /nfs/dbraw/zinc/12/46/05/569124605.db2.gz 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/nfs/dbraw/zinc/12/90/72/569129072.db2.gz LQCAECHZQLVNJT-UHFFFAOYSA-N 0 0 421.526 4.530 50 0 HJAARN COc1nc(-c2ccccc2C)n(-c2ccc(NC(=O)c3ccc(OC)cc3)cc2)n1 ZINC000006801435 569129226 /nfs/dbraw/zinc/12/92/26/569129226.db2.gz IFXVCHROOSKEEM-UHFFFAOYSA-N 0 0 414.465 4.512 50 0 HJAARN CCc1ccc(-c2noc(-c3nn(-c4ccc(F)cc4)c(=O)c4ccccc43)n2)cc1 ZINC000064949998 569129704 /nfs/dbraw/zinc/12/97/04/569129704.db2.gz ZPQPZJHNBVBHKV-UHFFFAOYSA-N 0 0 412.424 4.804 50 0 HJAARN Cc1c(C[NH2+]Cc2ccc(F)cc2)c(C(=O)[O-])c(C)n1Cc1ccc(Cl)cc1 ZINC000006806790 569131118 /nfs/dbraw/zinc/13/11/18/569131118.db2.gz XBQIJSNQWKCQBD-UHFFFAOYSA-N 0 0 400.881 4.934 50 0 HJAARN COc1cc(Cl)c(C)cc1NC(=O)c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000006807034 569131234 /nfs/dbraw/zinc/13/12/34/569131234.db2.gz LFABUMYVVNMMFY-UHFFFAOYSA-N 0 0 406.873 4.886 50 0 HJAARN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000006807750 569132082 /nfs/dbraw/zinc/13/20/82/569132082.db2.gz IQBZPXBLLLSSRU-IBGZPJMESA-N 0 0 414.509 4.621 50 0 HJAARN Cc1cccc(NC(=O)CN2C(=O)C(c3ccc(F)cc3)=NC23CCCCCC3)c1C ZINC000006808682 569132738 /nfs/dbraw/zinc/13/27/38/569132738.db2.gz DFJAXXTVEBIPRR-UHFFFAOYSA-N 0 0 421.516 4.763 50 0 HJAARN Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)NCc3ccco3)c(C)c12 ZINC000006808939 569133017 /nfs/dbraw/zinc/13/30/17/569133017.db2.gz VOQUKSGNPQNDRW-UHFFFAOYSA-N 0 0 416.525 4.805 50 0 HJAARN CC[C@H](C)NC(=O)CCc1c(C)nc2nc(-c3ccc(Cl)cc3Cl)nn2c1C ZINC000006809093 569133152 /nfs/dbraw/zinc/13/31/52/569133152.db2.gz CYIMCTBKOFCQAD-NSHDSACASA-N 0 0 420.344 4.562 50 0 HJAARN COc1ccc(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccccc3)c2C)cc1 ZINC000006808557 569133287 /nfs/dbraw/zinc/13/32/87/569133287.db2.gz UDPTVAVTHAHTQR-UHFFFAOYSA-N 0 0 414.509 4.926 50 0 HJAARN Cc1ccc(C2=NC3(CCCCCC3)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1 ZINC000006808649 569133397 /nfs/dbraw/zinc/13/33/97/569133397.db2.gz RIAIRDSBCJIODB-UHFFFAOYSA-N 0 0 403.526 4.624 50 0 HJAARN COc1ccc([C@H](C)NC(=O)c2ccc3cnn(Cc4cccc(OC)c4)c3c2)cc1 ZINC000064955736 569133634 /nfs/dbraw/zinc/13/36/34/569133634.db2.gz RDYFXUPFWNYGDE-KRWDZBQOSA-N 0 0 415.493 4.593 50 0 HJAARN Cc1cn2c(nc(COc3cc(NC(=O)c4cccc(C)c4)ccc3C)cc2=O)s1 ZINC000064956233 569133843 /nfs/dbraw/zinc/13/38/43/569133843.db2.gz NORDDDIIEPUHDQ-UHFFFAOYSA-N 0 0 419.506 4.513 50 0 HJAARN O=c1c2sc3ccccc3c2n(Cc2ccccc2F)c(=O)n1-c1ccccc1 ZINC000006817194 569137747 /nfs/dbraw/zinc/13/77/47/569137747.db2.gz XBMHKQGKNGEYHJ-UHFFFAOYSA-N 0 0 402.450 4.555 50 0 HJAARN CC(C)c1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccs3)CC2)cc1 ZINC000006819363 569139206 /nfs/dbraw/zinc/13/92/06/569139206.db2.gz YKCBZKSCGJTOES-UHFFFAOYSA-N 0 0 420.600 4.595 50 0 HJAARN COc1ccc(S(=O)(=O)c2c(C(=O)c3ccc(C)cc3)cnc3ccccc32)cc1 ZINC000006820163 569139332 /nfs/dbraw/zinc/13/93/32/569139332.db2.gz PGPOJGSHNAXLPF-UHFFFAOYSA-N 0 0 417.486 4.616 50 0 HJAARN COc1ccc([C@@H]2c3cccn3CCCN2Cc2cccc(C)c2)c(OC)c1OC ZINC000036348554 569144504 /nfs/dbraw/zinc/14/45/04/569144504.db2.gz DCPPGEOULBBBDE-HSZRJFAPSA-N 0 0 406.526 4.818 50 0 HJAARN O=C(NCc1ccc2c(c1)N(C(=O)c1ccc(Cl)cc1)CC2)c1cccc(F)c1 ZINC000064989696 569146083 /nfs/dbraw/zinc/14/60/83/569146083.db2.gz VXWZYORTNBKCCF-UHFFFAOYSA-N 0 0 408.860 4.612 50 0 HJAARN C[C@H]1Cc2ccc(CNC(=O)c3ccc(Cl)cc3)cc2N1C(=O)c1ccccc1 ZINC000064989818 569146177 /nfs/dbraw/zinc/14/61/77/569146177.db2.gz IFYDADUIFNJKSI-INIZCTEOSA-N 0 0 404.897 4.861 50 0 HJAARN Cc1ccccc1C(=O)N1CCc2ccc(CNC(=O)c3ccccc3Cl)cc21 ZINC000064990045 569146299 /nfs/dbraw/zinc/14/62/99/569146299.db2.gz KNNBAJVFYXJISU-UHFFFAOYSA-N 0 0 404.897 4.781 50 0 HJAARN CCOc1ccccc1C(=O)NCc1ccc2c(c1)N(C(=O)c1cccc(C)c1)CC2 ZINC000064990099 569146308 /nfs/dbraw/zinc/14/63/08/569146308.db2.gz ZFJGPKFQXZGBKF-UHFFFAOYSA-N 0 0 414.505 4.527 50 0 HJAARN Cc1cccc(C(=O)N2CCc3ccc(CNC(=O)c4ccccc4Cl)cc32)c1 ZINC000064990108 569146366 /nfs/dbraw/zinc/14/63/66/569146366.db2.gz JYFCWDVJLQCDEW-UHFFFAOYSA-N 0 0 404.897 4.781 50 0 HJAARN Cc1cccc(C(=O)N2CCc3ccc(CNC(=O)Nc4ccc(C)c(F)c4)cc32)c1 ZINC000064990891 569146658 /nfs/dbraw/zinc/14/66/58/569146658.db2.gz ACBUSLSUIPNHHE-UHFFFAOYSA-N 0 0 417.484 4.967 50 0 HJAARN COc1ccc(NC(=O)NCc2ccc3c(c2)N(C(=O)c2cccc(C)c2)CC3)cc1 ZINC000064990849 569146670 /nfs/dbraw/zinc/14/66/70/569146670.db2.gz ZVQMCEBNSLPRGK-UHFFFAOYSA-N 0 0 415.493 4.528 50 0 HJAARN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)NC1CCCC1 ZINC000006830959 569147310 /nfs/dbraw/zinc/14/73/10/569147310.db2.gz QWVQYVFPXXVMRO-UHFFFAOYSA-N 0 0 412.946 4.739 50 0 HJAARN COC(=O)[C@@H](C)Sc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1C(C)C ZINC000006831970 569148035 /nfs/dbraw/zinc/14/80/35/569148035.db2.gz LSALULZIZOZTCV-OAHLLOKOSA-N 0 0 411.527 4.720 50 0 HJAARN COc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccc(Cl)cc2)c(OC)c1OC ZINC000036357766 569149144 /nfs/dbraw/zinc/14/91/44/569149144.db2.gz UUKFSZNSZANYCU-HNNXBMFYSA-N 0 0 413.861 4.675 50 0 HJAARN COc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2ccc(C(F)(F)F)cc2)cc1O ZINC000036357578 569149847 /nfs/dbraw/zinc/14/98/47/569149847.db2.gz JPXRPKUKCHDEDB-CQSZACIVSA-N 0 0 403.360 4.729 50 0 HJAARN Cc1nc(-c2nnn(-c3ccc(C)c(C)c3)c2C)sc1C(=O)NCc1ccccc1 ZINC000064998554 569150283 /nfs/dbraw/zinc/15/02/83/569150283.db2.gz ZNLMCMRKAARKLE-UHFFFAOYSA-N 0 0 417.538 4.554 50 0 HJAARN Cc1nc(-c2nnn(-c3ccc(C)cc3)c2C)sc1C(=O)NCc1ccc(C)cc1 ZINC000064998504 569150312 /nfs/dbraw/zinc/15/03/12/569150312.db2.gz PVAUIZMDUDKYRF-UHFFFAOYSA-N 0 0 417.538 4.554 50 0 HJAARN Cc1cc(C)n(CCCNC(=O)c2cc3occc3n2Cc2ccc(Cl)cc2)n1 ZINC000036360655 569151818 /nfs/dbraw/zinc/15/18/18/569151818.db2.gz WUDSTJLITQUZER-UHFFFAOYSA-N 0 0 410.905 4.569 50 0 HJAARN COc1cccc(-n2cnc3c2NC(=O)C[C@H]3c2cccc(OC)c2OC(C)C)c1 ZINC000036366786 569152685 /nfs/dbraw/zinc/15/26/85/569152685.db2.gz FWLAEROCODOUHD-SFHVURJKSA-N 0 0 407.470 4.800 50 0 HJAARN O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(c2ncc(-c3ccc(F)cc3)cn2)C1 ZINC000065023144 569154745 /nfs/dbraw/zinc/15/47/45/569154745.db2.gz RLQHBZPTLJHMSS-INIZCTEOSA-N 0 0 410.880 4.791 50 0 HJAARN Cc1ccc(NC(=O)[C@H]2CCCN(c3ncc(-c4ccccc4)cn3)C2)cc1Cl ZINC000065023638 569155011 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Cc1ccc(Cn2c3c4ccccc4oc3c(=O)n(-c3cc(C)cc(C)c3)c2=O)cc1 ZINC000006858733 569157099 /nfs/dbraw/zinc/15/70/99/569157099.db2.gz NJTCDIQNRQCMGU-UHFFFAOYSA-N 0 0 410.473 4.872 50 0 HJAARN COc1ccc(CCC(=O)N2CCC[C@H]2c2nc(-c3ccccc3Cl)no2)cc1 ZINC000169754571 569161188 /nfs/dbraw/zinc/16/11/88/569161188.db2.gz QGRAJRMRBMJPAP-IBGZPJMESA-N 0 0 411.889 4.695 50 0 HJAARN CC(C)(C)CC(=O)N(Cc1ccccc1F)C[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000006871076 569161978 /nfs/dbraw/zinc/16/19/78/569161978.db2.gz SPEVCOMZSGGUOF-IBGZPJMESA-N 0 0 400.469 4.923 50 0 HJAARN O=C(c1cccs1)N(Cc1ccc(F)cc1F)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000006871988 569162143 /nfs/dbraw/zinc/16/21/43/569162143.db2.gz MMHJESDREJVLGS-SFHVURJKSA-N 0 0 412.461 4.862 50 0 HJAARN CC(C)(C)NC(=O)N(Cc1ccccc1Cl)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000006872625 569162258 /nfs/dbraw/zinc/16/22/58/569162258.db2.gz GOUSKIYABWUJJA-GOSISDBHSA-N 0 0 417.912 4.982 50 0 HJAARN O=C(C1CC1)N(Cc1ccc(F)cc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000006873590 569162450 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CCc1ccc(CNC(=O)c2ccc(-c3noc(-c4ccc(OC)cc4)n3)s2)cc1 ZINC000065062913 569166733 /nfs/dbraw/zinc/16/67/33/569166733.db2.gz YILHDVXMQPBFDJ-UHFFFAOYSA-N 0 0 419.506 4.966 50 0 HJAARN Cc1cc2cc(NS(=O)(=O)C3=Cc4ccc(OC(F)F)cc4CC3)ccc2[nH]1 ZINC000065068959 569167542 /nfs/dbraw/zinc/16/75/42/569167542.db2.gz HMQIKWANNKTSMV-UHFFFAOYSA-N 0 0 404.438 4.807 50 0 HJAARN CCN(CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)Nc1c(C)cc(C)cc1C ZINC000006881487 569167821 /nfs/dbraw/zinc/16/78/21/569167821.db2.gz GYZRKNRUWAWFKG-UHFFFAOYSA-N 0 0 421.463 4.530 50 0 HJAARN O=C(COc1ccc(-c2nnco2)cc1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000006881306 569167854 /nfs/dbraw/zinc/16/78/54/569167854.db2.gz LZVSOCHZFMMRBP-UHFFFAOYSA-N 0 0 409.461 4.616 50 0 HJAARN C[C@H](NC(=O)CCC(=O)c1cccs1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000036394686 569168466 /nfs/dbraw/zinc/16/84/66/569168466.db2.gz SSOWSDRNSMLPGS-INIZCTEOSA-N 0 0 406.507 4.841 50 0 HJAARN CCOC(=O)c1sc(-c2ccc3c(c2)OCO3)cc1NC(=O)c1cccs1 ZINC000036397287 569169937 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COc1ccc2nc(NC(=O)C(=O)c3cccn3Cc3ccc(C)c(C)c3)sc2c1 ZINC000065084645 569173380 /nfs/dbraw/zinc/17/33/80/569173380.db2.gz VKHBBTZIJQTIJZ-UHFFFAOYSA-N 0 0 419.506 4.593 50 0 HJAARN O=C(Nc1ccc(F)c(F)c1)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000065085530 569174337 /nfs/dbraw/zinc/17/43/37/569174337.db2.gz JBYWBIFSCMCNTD-UHFFFAOYSA-N 0 0 413.854 4.765 50 0 HJAARN CC[C@@H](C(=O)N1CCCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1)c1ccccc1 ZINC000169779540 569174448 /nfs/dbraw/zinc/17/44/48/569174448.db2.gz NXJAJZJMUUSZET-OAQYLSRUSA-N 0 0 422.960 4.963 50 0 HJAARN Cc1ccc(CCNC(=O)c2ccc(C[S@](=O)c3cccc(Cl)c3)o2)cc1 ZINC000006895331 569175304 /nfs/dbraw/zinc/17/53/04/569175304.db2.gz DMPHTEYETFBPML-HHHXNRCGSA-N 0 0 401.915 4.522 50 0 HJAARN O=C(NCCCc1ccccc1)c1ccc(C[S@](=O)c2ccc(Cl)cc2)o1 ZINC000006895549 569175360 /nfs/dbraw/zinc/17/53/60/569175360.db2.gz AAESFCCUDGAPHG-HHHXNRCGSA-N 0 0 401.915 4.603 50 0 HJAARN CC[C@H](Sc1nncn2c3ccoc3cc12)C(=O)Nc1cc(Cl)ccc1C ZINC000006894000 569175462 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COc1ccc([C@@H](C)NC(=O)CSc2nccnc2Oc2ccccc2C)cc1 ZINC000065111206 569178834 /nfs/dbraw/zinc/17/88/34/569178834.db2.gz OEYMLYWJPKQMSD-MRXNPFEDSA-N 0 0 409.511 4.555 50 0 HJAARN CC(C)CCNC(=O)C1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1 ZINC000006914188 569179999 /nfs/dbraw/zinc/17/99/99/569179999.db2.gz QZHCDUVSCVSDCL-UHFFFAOYSA-N 0 0 423.582 4.707 50 0 HJAARN CCc1cccc(NC(=O)Nc2ccc3nc(S(=O)(=O)C(C)C)sc3c2)c1 ZINC000065119253 569181007 /nfs/dbraw/zinc/18/10/07/569181007.db2.gz RJZCEWJVASPTOD-UHFFFAOYSA-N 0 0 403.529 4.685 50 0 HJAARN Cc1ccc(C(=O)Nc2cccc(-c3cn4c(C(=O)N(C)C)csc4n3)c2)cc1C ZINC000065129128 569181705 /nfs/dbraw/zinc/18/17/05/569181705.db2.gz WCZKYDBPUMNOGA-UHFFFAOYSA-N 0 0 418.522 4.634 50 0 HJAARN Cc1cc(C)cc(C(=O)Nc2cccc(-c3cn4c(C(=O)N(C)C)csc4n3)c2)c1 ZINC000065129130 569181788 /nfs/dbraw/zinc/18/17/88/569181788.db2.gz GRIUGLKBVLOVQV-UHFFFAOYSA-N 0 0 418.522 4.634 50 0 HJAARN COc1ccc(NC(=O)c2cc3c(C)nn(-c4ccc(C)cc4)c3s2)c(OC)c1 ZINC000006923804 569182732 /nfs/dbraw/zinc/18/27/32/569182732.db2.gz AYWKYSRFRNCJIA-UHFFFAOYSA-N 0 0 407.495 4.973 50 0 HJAARN O=C(CC[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)NCc1ccc(F)cc1Cl ZINC000065136846 569183472 /nfs/dbraw/zinc/18/34/72/569183472.db2.gz TYUKEEHDYOIYLD-INIZCTEOSA-N 0 0 417.912 4.820 50 0 HJAARN Cc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)cc1 ZINC000065136914 569183498 /nfs/dbraw/zinc/18/34/98/569183498.db2.gz CITDHSMWPVKXSF-LJQANCHMSA-N 0 0 413.949 4.989 50 0 HJAARN O=C(CC[C@@H]1CCCN(C(=O)Nc2cccc(F)c2)C1)NCc1cccc(Cl)c1 ZINC000065136726 569183527 /nfs/dbraw/zinc/18/35/27/569183527.db2.gz XKRSRHBTKYPIJS-INIZCTEOSA-N 0 0 417.912 4.820 50 0 HJAARN Cn1nccc1-c1cccc(-c2noc(-c3cccc(NC(=O)c4ccco4)c3)n2)c1 ZINC000065137210 569183628 /nfs/dbraw/zinc/18/36/28/569183628.db2.gz NTMXWQCPWNNYQZ-UHFFFAOYSA-N 0 0 411.421 4.649 50 0 HJAARN COc1ccccc1-c1nc([C@H]2CCCN(C(=O)c3cc(Cl)ccc3F)C2)no1 ZINC000065149510 569184591 /nfs/dbraw/zinc/18/45/91/569184591.db2.gz CUWXIOZVAIKABI-ZDUSSCGKSA-N 0 0 415.852 4.558 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)CSc1nccc(N2CCc3ccccc3C2)n1 ZINC000065151468 569186426 /nfs/dbraw/zinc/18/64/26/569186426.db2.gz SXTNMNOECFDESR-UHFFFAOYSA-N 0 0 424.957 4.732 50 0 HJAARN CCOC(=O)c1cc(C)n(CC2CCC(C(=O)NCc3ccc(C)cc3)CC2)c1C ZINC000006942000 569186751 /nfs/dbraw/zinc/18/67/51/569186751.db2.gz PPVJMISLMYKWCN-UHFFFAOYSA-N 0 0 410.558 4.713 50 0 HJAARN COc1ccc(-c2cc(C(=O)N(CCc3ccccc3)Cc3ccccc3)[nH]n2)cc1 ZINC000006942627 569186828 /nfs/dbraw/zinc/18/68/28/569186828.db2.gz WZDZAMPADCVDPM-UHFFFAOYSA-N 0 0 411.505 4.970 50 0 biogenic HJAARN C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccccc3Cl)c2C1 ZINC000006943515 569186922 /nfs/dbraw/zinc/18/69/22/569186922.db2.gz CZVLQHYUZMSCCQ-AWEZNQCLSA-N 0 0 408.885 4.809 50 0 HJAARN Cc1ccc(C)c(C(=O)CCC(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)c1 ZINC000006945363 569187332 /nfs/dbraw/zinc/18/73/32/569187332.db2.gz HWGCBGLRNPKRHX-UHFFFAOYSA-N 0 0 404.462 4.605 50 0 HJAARN O=C(Nc1cc(F)ccc1F)c1cnc(-c2ccc(F)cc2)nc1-c1ccncc1 ZINC000065154027 569187760 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C[C@H]1Oc2c(cccc2C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)[C@H]1C ZINC000009996121 569252789 /nfs/dbraw/zinc/25/27/89/569252789.db2.gz HLOMZCZFTJFIOE-JKSUJKDBSA-N 0 0 402.498 4.808 50 0 HJAARN C[C@@H]1Oc2c(cccc2C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)[C@@H]1C ZINC000009996124 569252811 /nfs/dbraw/zinc/25/28/11/569252811.db2.gz HLOMZCZFTJFIOE-CVEARBPZSA-N 0 0 402.498 4.808 50 0 HJAARN COc1ccc([C@H]2C[C@H](c3ccccc3)n3ncnc3N2C(=O)c2ccccc2C)cc1 ZINC000010060284 569253076 /nfs/dbraw/zinc/25/30/76/569253076.db2.gz NJIPMGIWEREARI-DNQXCXABSA-N 0 0 424.504 4.976 50 0 HJAARN COc1ccc([C@H]2C[C@H](c3ccc(C)cc3)n3ncnc3N2C(=O)c2ccccc2)cc1 ZINC000010060328 569253088 /nfs/dbraw/zinc/25/30/88/569253088.db2.gz VMZVNQDGAGWEKX-DNQXCXABSA-N 0 0 424.504 4.976 50 0 HJAARN COc1ccc([C@H]2C[C@@H](c3ccc(C)cc3)N(C(=O)c3ccccc3)c3ncnn32)cc1 ZINC000010060347 569253122 /nfs/dbraw/zinc/25/31/22/569253122.db2.gz SSDGRVLHMXLRET-BJKOFHAPSA-N 0 0 424.504 4.976 50 0 HJAARN COc1ccccc1[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2cccc(C)c2)c2ncnn21 ZINC000010060406 569253198 /nfs/dbraw/zinc/25/31/98/569253198.db2.gz LHPTXKOBYJDALC-XZOQPEGZSA-N 0 0 424.504 4.976 50 0 HJAARN COc1cc(-c2nc3cc(NC(=O)c4ccccc4)ccc3o2)cc(OC)c1OC ZINC000010120149 569253263 /nfs/dbraw/zinc/25/32/63/569253263.db2.gz LJZYWIMOKLQZNC-UHFFFAOYSA-N 0 0 404.422 4.773 50 0 HJAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)cc2OC)cc1 ZINC000004590835 569255502 /nfs/dbraw/zinc/25/55/02/569255502.db2.gz WCAAZHVKQLECMC-RCZVLFRGSA-N 0 0 416.477 4.955 50 0 HJAARN Cc1cc(Cl)ccc1NC(=O)[C@@H](Sc1ncnc2[nH]cnc21)c1ccccc1 ZINC000013572797 569255998 /nfs/dbraw/zinc/25/59/98/569255998.db2.gz JYAIOCCHWYIJHJ-KRWDZBQOSA-N 0 0 409.902 4.787 50 0 HJAARN CCCCC(=O)Nc1ccccc1S[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000013579076 569256375 /nfs/dbraw/zinc/25/63/75/569256375.db2.gz WOAAXINLFUWVQM-OAHLLOKOSA-N 0 0 414.527 4.706 50 0 HJAARN COc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2cccc(Cl)c2)cc1 ZINC000014609994 569260737 /nfs/dbraw/zinc/26/07/37/569260737.db2.gz SSWITHACSHYYNS-UHFFFAOYSA-N 0 0 422.847 4.988 50 0 HJAARN COc1ccc(C)cc1NC(=O)CN(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000089618603 569261209 /nfs/dbraw/zinc/26/12/09/569261209.db2.gz NBYNTEDAZGMGLK-UHFFFAOYSA-N 0 0 401.510 4.669 50 0 HJAARN COc1cccc([C@H]2CC(c3ccsc3)=NN2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000089638860 569261634 /nfs/dbraw/zinc/26/16/34/569261634.db2.gz AXQWUCXUDVLFLA-OAQYLSRUSA-N 0 0 412.536 4.605 50 0 HJAARN CSc1ccsc1C(=O)NCC(C)(C)N(C)C(=O)c1sccc1SC ZINC000089761779 569263556 /nfs/dbraw/zinc/26/35/56/569263556.db2.gz AGBQPCCRPQRMCH-UHFFFAOYSA-N 0 0 414.643 4.534 50 0 HJAARN COc1ccc(NC(=O)CSc2ncc(-c3cccc(Cl)c3)o2)c(OC)c1 ZINC000016841018 569264495 /nfs/dbraw/zinc/26/44/95/569264495.db2.gz YHCITTAIIVAUCK-UHFFFAOYSA-N 0 0 404.875 4.743 50 0 HJAARN Cc1ccc(NC(=O)Cn2c(C)nc3c(sc4cccc(F)c43)c2=O)c(Cl)c1 ZINC000016843801 569264921 /nfs/dbraw/zinc/26/49/21/569264921.db2.gz JUIYSRLUQAEINF-UHFFFAOYSA-N 0 0 415.877 4.659 50 0 HJAARN COc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)cc1OC ZINC000016959675 569268982 /nfs/dbraw/zinc/26/89/82/569268982.db2.gz OEDOUBAJIQBVFT-UHFFFAOYSA-N 0 0 422.506 4.611 50 0 HJAARN Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)c1cnc2c(cnn2C(C)C)c1 ZINC000014712019 569270434 /nfs/dbraw/zinc/27/04/34/569270434.db2.gz BXWYRZGIFCTMPX-UHFFFAOYSA-N 0 0 410.481 4.888 50 0 HJAARN COc1ccc(CC(=O)Nc2cc(C)nn2-c2nc(-c3cccs3)cs2)cc1 ZINC000017012036 569271390 /nfs/dbraw/zinc/27/13/90/569271390.db2.gz DADNCYUFXQSDLQ-UHFFFAOYSA-N 0 0 410.524 4.556 50 0 HJAARN C[C@@H]1CN(c2cc(Oc3ccc(Cl)cc3)ncn2)CCN1C(=O)C1CCCCC1 ZINC000037355955 569272107 /nfs/dbraw/zinc/27/21/07/569272107.db2.gz PJXCRPANJVRWLI-MRXNPFEDSA-N 0 0 414.937 4.540 50 0 HJAARN Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSC2=NCCS2)cc1 ZINC000017041206 569272230 /nfs/dbraw/zinc/27/22/30/569272230.db2.gz XOWVUMLDUYHAJN-MRXNPFEDSA-N 0 0 401.582 4.570 50 0 HJAARN Cc1nc(C2(NC(=O)Nc3cccc(Cl)c3SCC(F)F)CCC2)no1 ZINC000170633833 569274851 /nfs/dbraw/zinc/27/48/51/569274851.db2.gz TZWSCUCWAMYRER-UHFFFAOYSA-N 0 0 402.854 4.590 50 0 HJAARN Cc1nc(C(C)(C)NC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)sc1C ZINC000170633712 569274854 /nfs/dbraw/zinc/27/48/54/569274854.db2.gz XSVYRVUDGCCQDK-BETUJISGSA-N 0 0 420.554 4.569 50 0 HJAARN Nc1c2c(nn1Cc1ccccc1)nc(N1CCCCC1)nc2-c1ccc(Cl)cc1 ZINC000037357789 569275986 /nfs/dbraw/zinc/27/59/86/569275986.db2.gz SBZIYUOKEUAWEM-UHFFFAOYSA-N 0 0 418.932 4.768 50 0 HJAARN O=C(Oc1c(=O)c2ccccc2oc1-c1ccccc1)c1cc2ccccc2oc1=O ZINC000000936007 569276849 /nfs/dbraw/zinc/27/68/49/569276849.db2.gz XSMGDKJFTICBSB-UHFFFAOYSA-N 0 0 410.381 4.786 50 0 HJAARN Nc1c2c(nn1-c1ccccc1)nc(NCCc1cccs1)nc2-c1cccs1 ZINC000037358797 569277100 /nfs/dbraw/zinc/27/71/00/569277100.db2.gz WCLVUIPUOKCYIO-UHFFFAOYSA-N 0 0 418.551 4.842 50 0 HJAARN CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)C=Cc2ccc(C(C)C)cc2)cc1 ZINC000001118919 569277326 /nfs/dbraw/zinc/27/73/26/569277326.db2.gz NQYNMLWZELWTNJ-VGOFMYFVSA-N 0 0 409.555 4.931 50 0 HJAARN CCOc1ccccc1C(=O)NCCCC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000027124786 569280772 /nfs/dbraw/zinc/28/07/72/569280772.db2.gz YLGZOGOTPHSSJS-GOSISDBHSA-N 0 0 404.510 4.626 50 0 HJAARN CCOC(=O)CCc1c(C)c2ccc(OCc3ccc(F)cc3Cl)cc2oc1=O ZINC000002095928 569280943 /nfs/dbraw/zinc/28/09/43/569280943.db2.gz HWAZVSGZPNKGHT-UHFFFAOYSA-N 0 0 418.848 4.969 50 0 biogenic HJAARN COc1ccc(-n2nc3nc(NCC4CC4)nc(-c4cccc(Cl)c4)c3c2N)cc1 ZINC000037360264 569283455 /nfs/dbraw/zinc/28/34/55/569283455.db2.gz BNQVTFWLJGVKCP-UHFFFAOYSA-N 0 0 420.904 4.549 50 0 HJAARN CCOC(=O)c1sc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)nc1C ZINC000014865744 569285021 /nfs/dbraw/zinc/28/50/21/569285021.db2.gz SFEWRIVUUTZVIG-UHFFFAOYSA-N 0 0 400.481 4.501 50 0 HJAARN CCOc1ccccc1NC(=O)c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)c1 ZINC000007594157 569286784 /nfs/dbraw/zinc/28/67/84/569286784.db2.gz BNWOEFICOVTATA-UHFFFAOYSA-N 0 0 416.399 4.566 50 0 HJAARN COc1cccc(-c2cc(C(=O)N3CCCC[C@H](c4ccc(F)cc4)C3)n(C)n2)c1 ZINC000208001965 569286889 /nfs/dbraw/zinc/28/68/89/569286889.db2.gz RRTPFWMHUCNYNQ-IBGZPJMESA-N 0 0 407.489 4.645 50 0 HJAARN CCOc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1OCC ZINC000002131474 569287259 /nfs/dbraw/zinc/28/72/59/569287259.db2.gz STBPUGADWSWTMA-FIUWIIBXSA-N 0 0 420.553 4.820 50 0 biogenic HJAARN COc1ccc([C@H]2CC(=O)c3ccccc3O2)cc1COc1ccc(NC(C)=O)cc1 ZINC000002134216 569287566 /nfs/dbraw/zinc/28/75/66/569287566.db2.gz YFLTXNDZGXSPKY-RUZDIDTESA-N 0 0 417.461 4.939 50 0 biogenic HJAARN O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCS[C@@H](c2ccccc2)CC1 ZINC000208044336 569290572 /nfs/dbraw/zinc/29/05/72/569290572.db2.gz ZALLJFNKRZTCJC-QGZVFWFLSA-N 0 0 401.475 4.574 50 0 HJAARN C[C@H](CC(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000252510603 569291526 /nfs/dbraw/zinc/29/15/26/569291526.db2.gz APFGAKLQYVVNGY-QRFQSNJMSA-N 0 0 418.459 4.535 50 0 HJAARN C[S@](=O)Cc1cc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)ccc1Cl ZINC000252527753 569292662 /nfs/dbraw/zinc/29/26/62/569292662.db2.gz DGISDWAOSGVDAQ-DSGZJRDPSA-N 0 0 400.302 4.753 50 0 HJAARN O=C(Oc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CCCC4)cc1)c1ccccc1 ZINC000002190290 569293687 /nfs/dbraw/zinc/29/36/87/569293687.db2.gz GSUQLRBFEZORCY-FQEVSTJZSA-N 0 0 404.491 4.700 50 0 HJAARN COc1ccc2nc(C)cc(SCC3N=NC(=S)N3Cc3ccccc3)c2c1 ZINC000002194760 569294573 /nfs/dbraw/zinc/29/45/73/569294573.db2.gz NKLLTRMKPDHYSZ-UHFFFAOYSA-N 0 0 408.552 4.773 50 0 HJAARN Cc1cc(C)c2oc3c(c(=O)c2c1)[C@H](c1cccc(O)c1)N(Cc1ccccc1)C3=O ZINC000002198121 569294749 /nfs/dbraw/zinc/29/47/49/569294749.db2.gz NNMIHHWWZLHKBD-QFIPXVFZSA-N 0 0 411.457 4.861 50 0 HJAARN CCCCc1nc2sc3c(nc(SC)nc3SCCO)c2c2c1CCC2 ZINC000002198941 569294778 /nfs/dbraw/zinc/29/47/78/569294778.db2.gz CODQRVSGHJOPQR-UHFFFAOYSA-N 0 0 405.614 4.877 50 0 HJAARN Cc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)cc1C ZINC000007615989 569295794 /nfs/dbraw/zinc/29/57/94/569295794.db2.gz RSSRGYIWUHDNRQ-UHFFFAOYSA-N 0 0 417.896 4.972 50 0 HJAARN CCn1c(SCC(=O)N(Cc2ccccc2)c2cccc(C)c2)nnc1C1CC1 ZINC000007618591 569296127 /nfs/dbraw/zinc/29/61/27/569296127.db2.gz WZFWUWSHKYWUDQ-UHFFFAOYSA-N 0 0 406.555 4.809 50 0 HJAARN Cc1c2c(n(Cc3cccc(F)c3)c1C(=O)NCc1ccc3c(c1)OCO3)CCCC2 ZINC000037396866 569296237 /nfs/dbraw/zinc/29/62/37/569296237.db2.gz JVLKMYWYVFOTFR-UHFFFAOYSA-N 0 0 420.484 4.521 50 0 HJAARN CC(=O)N[C@H](C)CCc1ccc(-c2csc(CC(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000007643316 569298273 /nfs/dbraw/zinc/29/82/73/569298273.db2.gz BDRTZIFIHOSEJR-QGZVFWFLSA-N 0 0 421.566 4.757 50 0 HJAARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)c1cc(F)ccc1F ZINC000007655005 569299244 /nfs/dbraw/zinc/29/92/44/569299244.db2.gz DWRDAQNPLMACAQ-UHFFFAOYSA-N 0 0 409.747 4.760 50 0 HJAARN O=C(c1ccccc1F)N(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037440768 569299624 /nfs/dbraw/zinc/29/96/24/569299624.db2.gz IVYSYXOUSGHIHI-HXUWFJFHSA-N 0 0 424.422 4.940 50 0 HJAARN Cc1cccc(-c2noc(CN(C)C(=O)c3cccc(OCc4ccccc4)c3)n2)c1 ZINC000007668676 569299831 /nfs/dbraw/zinc/29/98/31/569299831.db2.gz GSKJYXUFZBSXCC-UHFFFAOYSA-N 0 0 413.477 4.896 50 0 HJAARN O=C(Nc1ccccc1N1CCCC1)c1ccccc1OCCOc1ccccc1 ZINC000007718768 569301660 /nfs/dbraw/zinc/30/16/60/569301660.db2.gz ZUJIHKFOVXILQF-UHFFFAOYSA-N 0 0 402.494 4.997 50 0 HJAARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2SCc2ccccc2)cc1 ZINC000007709849 569301670 /nfs/dbraw/zinc/30/16/70/569301670.db2.gz RBHORMAVRPRVOE-UHFFFAOYSA-N 0 0 412.536 4.738 50 0 HJAARN COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000007717466 569301997 /nfs/dbraw/zinc/30/19/97/569301997.db2.gz YJCQYBUTPCGMLQ-SFHVURJKSA-N 0 0 409.313 4.786 50 0 HJAARN COc1cc(OC)c(CN2CCCn3cccc3[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000037522441 569303259 /nfs/dbraw/zinc/30/32/59/569303259.db2.gz WZDQDYKMPVIABJ-DEOSSOPVSA-N 0 0 410.489 4.648 50 0 HJAARN Cc1ccc(NC(=O)NC2CCN(c3ccccc3C(=O)N[C@H](C)C(C)C)CC2)cc1 ZINC000037525863 569304106 /nfs/dbraw/zinc/30/41/06/569304106.db2.gz DZMKHHDFILXZMH-LJQANCHMSA-N 0 0 422.573 4.560 50 0 HJAARN O=C(NC1CC1)c1cc2scc(Br)c2n1Cc1ccc(F)cc1F ZINC000037542855 569305310 /nfs/dbraw/zinc/30/53/10/569305310.db2.gz GHWVPBLFJDAGBW-UHFFFAOYSA-N 0 0 411.271 4.684 50 0 HJAARN COc1ccccc1Oc1c(CCC(=O)NCC2CC2)c(C)nn1-c1ccc(F)cc1 ZINC000037547153 569305736 /nfs/dbraw/zinc/30/57/36/569305736.db2.gz QGHFDSCXHGQBCB-UHFFFAOYSA-N 0 0 423.488 4.580 50 0 HJAARN COc1ccc(Oc2c(CCC(=O)NCC3CC3)c(C)nn2-c2ccc(F)cc2)cc1 ZINC000037547353 569305773 /nfs/dbraw/zinc/30/57/73/569305773.db2.gz JHKBMYSDDGEQAG-UHFFFAOYSA-N 0 0 423.488 4.580 50 0 HJAARN Cn1nc(-c2ccccc2)c(CCC(=O)N2CCCC2)c1Oc1ccc(F)cc1F ZINC000037546703 569305903 /nfs/dbraw/zinc/30/59/03/569305903.db2.gz FTQZACOBAQMJLT-UHFFFAOYSA-N 0 0 411.452 4.713 50 0 HJAARN COc1ccc(CCNC(=O)Cc2ccc(NCc3cccc(C)c3C)cc2)cc1 ZINC000037554712 569306238 /nfs/dbraw/zinc/30/62/38/569306238.db2.gz OXYMWCZSZYMXAI-UHFFFAOYSA-N 0 0 402.538 4.826 50 0 HJAARN Cc1cccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)N3CCCC3)cc2)c1 ZINC000037557333 569306470 /nfs/dbraw/zinc/30/64/70/569306470.db2.gz AUVARIIQRILORN-UHFFFAOYSA-N 0 0 402.494 4.600 50 0 HJAARN CCc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ncccc4o3)c2C)cc1 ZINC000002214618 569309737 /nfs/dbraw/zinc/30/97/37/569309737.db2.gz WKOYPBJHLJTYAO-UHFFFAOYSA-N 0 0 416.506 4.887 50 0 HJAARN CC(C)OC(=O)c1c(N)n(-c2cccc(C(F)(F)F)c2)c2nc3ccccc3nc12 ZINC000002214396 569309759 /nfs/dbraw/zinc/30/97/59/569309759.db2.gz SZUGAFIRODQQQU-UHFFFAOYSA-N 0 0 414.387 4.740 50 0 HJAARN COc1ccc(SCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000007790544 569310757 /nfs/dbraw/zinc/31/07/57/569310757.db2.gz PSRHOTAJJASRMN-QGZVFWFLSA-N 0 0 420.534 4.917 50 0 HJAARN CN(C)C(=O)[C@@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)c1ccccc1 ZINC000007791075 569310953 /nfs/dbraw/zinc/31/09/53/569310953.db2.gz OHEDHJOTNFEWKV-FQEVSTJZSA-N 0 0 417.538 4.683 50 0 HJAARN CCCSc1nc2sc3c(c2c2nnc(SCC(=O)OC)n21)[C@H](C)CCC3 ZINC000002216704 569311307 /nfs/dbraw/zinc/31/13/07/569311307.db2.gz XYJSHPDQLOCBIA-SNVBAGLBSA-N 0 0 422.601 4.546 50 0 HJAARN Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)N4C[C@H](C)O[C@@H](C)C4)cc3)sc2c1 ZINC000195547072 569312090 /nfs/dbraw/zinc/31/20/90/569312090.db2.gz LPMKVJILDYTVAH-ULQDDVLXSA-N 0 0 409.555 4.708 50 0 HJAARN O=C(N[C@@H]1CCOc2ccccc21)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000007808496 569312217 /nfs/dbraw/zinc/31/22/17/569312217.db2.gz BRZAXXGSYCPHGV-HXUWFJFHSA-N 0 0 420.534 4.505 50 0 HJAARN O=C(COc1ccc(C(=O)c2ccccc2)cc1)N[C@@H](c1ccco1)c1ccccc1 ZINC000007808789 569312233 /nfs/dbraw/zinc/31/22/33/569312233.db2.gz RZBPUXTZZVWVBL-RUZDIDTESA-N 0 0 411.457 4.795 50 0 HJAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C(c1ccccc1)c1ccccc1 ZINC000007823799 569313135 /nfs/dbraw/zinc/31/31/35/569313135.db2.gz KKVYMZMFHDSIMC-UHFFFAOYSA-N 0 0 409.533 4.997 50 0 HJAARN Cc1ccc(-c2nc(SCC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)n[nH]2)cc1 ZINC000007831927 569313953 /nfs/dbraw/zinc/31/39/53/569313953.db2.gz WHTXYUBZBVLBRA-MRXNPFEDSA-N 0 0 406.555 4.628 50 0 HJAARN COc1cc(OC)c([C@H]2Nc3ccccc3C(=O)N2CCc2ccccc2)cc1OC ZINC000007884589 569315186 /nfs/dbraw/zinc/31/51/86/569315186.db2.gz ICQSJBYRWUGLGF-DEOSSOPVSA-N 0 0 418.493 4.522 50 0 HJAARN CCOc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc(Br)c1OC ZINC000007886309 569315286 /nfs/dbraw/zinc/31/52/86/569315286.db2.gz HVZBYRMUNDHOKC-IBGZPJMESA-N 0 0 417.303 4.585 50 0 HJAARN Cc1nn(C)c(C)c1/C=C1\C[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@H]1O ZINC000253508409 569317776 /nfs/dbraw/zinc/31/77/76/569317776.db2.gz IFDSJTUAVYQLDO-DKADVINSSA-N 0 0 412.618 4.795 50 0 HJAARN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)c5c(C)nn(C(C)=O)c5C[C@@H]4[C@H]3CC[C@H]2C1 ZINC000252693504 569320062 /nfs/dbraw/zinc/32/00/62/569320062.db2.gz DLCTVKXJNPOKCT-JGQZMGLOSA-N 0 0 412.574 4.840 50 0 biogenic HJAARN O=C(NC(=S)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccccc1F ZINC000002233792 569320274 /nfs/dbraw/zinc/32/02/74/569320274.db2.gz OHHGMWIOJNCBGN-UHFFFAOYSA-N 0 0 409.417 4.900 50 0 HJAARN CCOc1ccc2c(c1)c(=O)c(C(=O)c1ccc(F)cc1)cn2Cc1ccccc1F ZINC000002690286 569322302 /nfs/dbraw/zinc/32/23/02/569322302.db2.gz WMBHTHVGWCFTMG-UHFFFAOYSA-N 0 0 419.427 4.958 50 0 HJAARN CCCCCOC(=O)CSc1nc(CC)nc2sc3c(c21)CC(C)(C)OC3 ZINC000002239302 569322597 /nfs/dbraw/zinc/32/25/97/569322597.db2.gz BHDVXMRFWOPTNQ-UHFFFAOYSA-N 0 0 408.589 4.931 50 0 HJAARN COc1ccc(-c2cc(C(=O)Nc3ccc(O)cc3)c3ccccc3n2)cc1OC ZINC000002247721 569324330 /nfs/dbraw/zinc/32/43/30/569324330.db2.gz VLIAUHJPVACHJO-UHFFFAOYSA-N 0 0 400.434 4.877 50 0 HJAARN CC(C)(C)OC(=O)c1c(N)n(Cc2ccccc2Cl)c2nc3ccccc3nc21 ZINC000002253769 569326084 /nfs/dbraw/zinc/32/60/84/569326084.db2.gz IOFDNXXVBCGMNP-UHFFFAOYSA-N 0 0 408.889 4.824 50 0 HJAARN COc1cc2c(cc1OC)[C@]1(Cc3ccc(Cl)cc3)[C@H]3CC=CC[C@H]3C(=O)N1CC2 ZINC000019798642 569357324 /nfs/dbraw/zinc/35/73/24/569357324.db2.gz BIHDSPSHHZUMPY-RNHFSVANSA-N 0 0 423.940 4.776 50 0 HJAARN COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C ZINC000036372066 569358090 /nfs/dbraw/zinc/35/80/90/569358090.db2.gz XAAOVQCJMNBXLL-HJNGERFASA-N 0 0 404.591 4.775 50 0 HJAARN CC[C@@H](C)[C@@H](NC(=O)CC1(n2cccc2)CCSCC1)c1nc2ccccc2[nH]1 ZINC000253394283 569365102 /nfs/dbraw/zinc/36/51/02/569365102.db2.gz AMDHYBMSWXTRSE-DYESRHJHSA-N 0 0 410.587 4.880 50 0 HJAARN CC(C)C[C@@H](C(=O)N[C@@H]1CCCc2c3ccccc3[nH]c21)N1Cc2ccccc2C1=O ZINC000253413734 569366872 /nfs/dbraw/zinc/36/68/72/569366872.db2.gz VOBXEVRFEYQYIP-PKTZIBPZSA-N 0 0 415.537 4.732 50 0 biogenic HJAARN CC(C)Sc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)CC[C@H](C)C3 ZINC000002292037 569369194 /nfs/dbraw/zinc/36/91/94/569369194.db2.gz CJJFKXOWFXKMMY-ZDUSSCGKSA-N 0 0 410.568 4.720 50 0 HJAARN O=C(CCCc1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F ZINC000027570387 569374098 /nfs/dbraw/zinc/37/40/98/569374098.db2.gz ZQUVQZWXJTZCJI-LJQANCHMSA-N 0 0 410.823 4.550 50 0 HJAARN O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCOCCOc1ccccc1 ZINC000002324894 569375415 /nfs/dbraw/zinc/37/54/15/569375415.db2.gz DEWPCOVWRGENGA-UHFFFAOYSA-N 0 0 420.896 4.813 50 0 HJAARN CCN1CCN(C(=O)c2cc(-c3ccc(C)cc3C)nc3ccc(Cl)cc32)CC1 ZINC000055054012 569380701 /nfs/dbraw/zinc/38/07/01/569380701.db2.gz HGGWVYHOQATRJK-UHFFFAOYSA-N 0 0 407.945 4.950 50 0 HJAARN CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@@H]4Cc5c(c(C)nn5C(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000253487506 569381698 /nfs/dbraw/zinc/38/16/98/569381698.db2.gz LFSRWPRCKLPVBQ-AEQMUBOASA-N 0 0 410.558 4.760 50 0 HJAARN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C[C@H]5CN=N[C@@]54C(C)=O)[C@H]3CC[C@H]2C1 ZINC000253531923 569382700 /nfs/dbraw/zinc/38/27/00/569382700.db2.gz LFWLQRNCCYFSPX-OPTXLBARSA-N 0 0 400.563 4.981 50 0 HJAARN CCCSc1nc2sc3c(c2c(SCC(=O)OCC)n1)CC(C)(C)OC3 ZINC000002356386 569385376 /nfs/dbraw/zinc/38/53/76/569385376.db2.gz JFIMMQRRTQWFCL-UHFFFAOYSA-N 0 0 412.602 4.700 50 0 HJAARN CCCCc1nc2sc3c(nc(SC)nc3NCCOC)c2c2c1CCC2 ZINC000002368250 569388485 /nfs/dbraw/zinc/38/84/85/569388485.db2.gz MTOXJNLHAYAVMT-UHFFFAOYSA-N 0 0 402.589 4.851 50 0 HJAARN CCc1ccc(OCCn2c(=O)c3ccccc3nc2-c2ccc(OC)cc2)cc1 ZINC000002369661 569388721 /nfs/dbraw/zinc/38/87/21/569388721.db2.gz MIWNNEVGCFAIFC-UHFFFAOYSA-N 0 0 400.478 4.714 50 0 HJAARN Nc1c(Cl)cc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(Cl)s2)cc1Cl ZINC000055128516 569389971 /nfs/dbraw/zinc/38/99/71/569389971.db2.gz IVDOJGAATPPVGJ-LLVKDONJSA-N 0 0 418.733 4.534 50 0 HJAARN Cc1cc(C)nc(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000002383718 569391730 /nfs/dbraw/zinc/39/17/30/569391730.db2.gz VPEGTMUZTLXPME-UHFFFAOYSA-N 0 0 409.355 4.862 50 0 HJAARN CCCCn1nc(NC(=O)c2cc(OC)cc(OC)c2)c2cc3cccc(C)c3nc21 ZINC000002422466 569398189 /nfs/dbraw/zinc/39/81/89/569398189.db2.gz YBGMHXNJFYKTPH-UHFFFAOYSA-N 0 0 418.497 4.963 50 0 HJAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Cl)c(Cl)c2)N1c1ncccn1 ZINC000002424766 569398358 /nfs/dbraw/zinc/39/83/58/569398358.db2.gz QGJKQUXYOCNATG-KRWDZBQOSA-N 0 0 424.243 4.640 50 0 HJAARN Cc1cccc(-n2ncc3c4nc(COc5ccc6ccccc6c5)nn4cnc32)c1 ZINC000002425209 569398483 /nfs/dbraw/zinc/39/84/83/569398483.db2.gz OFFCVIGHVMXTFC-UHFFFAOYSA-N 0 0 406.449 4.504 50 0 HJAARN CCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccccc2)s1 ZINC000002428155 569398720 /nfs/dbraw/zinc/39/87/20/569398720.db2.gz VJUXSPIAKYUQME-KRWDZBQOSA-N 0 0 423.881 4.610 50 0 HJAARN CC(C)c1ccc(NC(=O)CSc2ncnc3c2cnn3Cc2ccccc2)cc1 ZINC000002442969 569400906 /nfs/dbraw/zinc/40/09/06/569400906.db2.gz FSWFCIKXTAJJMG-UHFFFAOYSA-N 0 0 417.538 4.729 50 0 HJAARN Cc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccccc4Cl)cc3n2)cc1 ZINC000002443900 569400977 /nfs/dbraw/zinc/40/09/77/569400977.db2.gz NWLSLPCMMJMFFQ-UHFFFAOYSA-N 0 0 421.913 4.509 50 0 HJAARN CC(=O)OCC(=O)C1=CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000012655170 569402498 /nfs/dbraw/zinc/40/24/98/569402498.db2.gz UGTGGLOTLSAFLH-IPGAFUANSA-N 0 0 414.542 4.549 50 0 biogenic HJAARN O=C(CCC(=O)c1cccs1)NCCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000012952105 569405248 /nfs/dbraw/zinc/40/52/48/569405248.db2.gz HGROQWLHRGRYJY-UHFFFAOYSA-N 0 0 422.506 4.648 50 0 HJAARN Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN2CC=C(c3ccccc3)CC2)cs1 ZINC000012996010 569406191 /nfs/dbraw/zinc/40/61/91/569406191.db2.gz WOOJVXIXQKIESK-UHFFFAOYSA-N 0 0 415.562 4.797 50 0 HJAARN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 ZINC000013069023 569408459 /nfs/dbraw/zinc/40/84/59/569408459.db2.gz PSSLIRYLAASKGA-UHFFFAOYSA-N 0 0 418.541 4.987 50 0 HJAARN O=C(Nc1ccc(F)cc1F)c1cc2n(n1)[C@H](C(F)(F)F)[C@H]1CCCC[C@H]1N2 ZINC000013124504 569409614 /nfs/dbraw/zinc/40/96/14/569409614.db2.gz XRRSYUJZJFMCFN-IETSOEAISA-N 0 0 400.351 4.501 50 0 HJAARN Cc1ccc(S(=O)(=O)NC[C@@H](Sc2nc3ccccc3o2)c2ccccc2)cc1 ZINC000013149347 569410096 /nfs/dbraw/zinc/41/00/96/569410096.db2.gz NPEXNPLJKZQEAS-OAQYLSRUSA-N 0 0 424.547 4.948 50 0 HJAARN CCCCC(=O)N1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccc(F)cc1 ZINC000002456310 569410327 /nfs/dbraw/zinc/41/03/27/569410327.db2.gz LYUWLYQANTWDGI-FQEVSTJZSA-N 0 0 419.294 4.649 50 0 HJAARN COC(=O)c1cccc(NC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)c1 ZINC000013351229 569411153 /nfs/dbraw/zinc/41/11/53/569411153.db2.gz UVYTYUXCWQFDRA-UHFFFAOYSA-N 0 0 414.421 4.834 50 0 HJAARN Cc1ccc(CC(=O)Nc2ccc(SCc3nc4ccccc4[nH]c3=O)cc2)cc1 ZINC000013361085 569411855 /nfs/dbraw/zinc/41/18/55/569411855.db2.gz SUTZPOWSEOLVIE-UHFFFAOYSA-N 0 0 415.518 4.705 50 0 HJAARN Cc1cc(NC(=O)Cc2csc(-c3ccc(C)cc3)n2)n(Cc2ccccc2)n1 ZINC000328589303 569414730 /nfs/dbraw/zinc/41/47/30/569414730.db2.gz JSFDGCOWAJIWKK-UHFFFAOYSA-N 0 0 402.523 4.853 50 0 HJAARN CC1(C)CCN(C(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000078934856 569421796 /nfs/dbraw/zinc/42/17/96/569421796.db2.gz AOKRZJNXFBGLKY-UHFFFAOYSA-N 0 0 420.460 4.887 50 0 HJAARN COc1c(Br)c(C)sc1C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000078939017 569421833 /nfs/dbraw/zinc/42/18/33/569421833.db2.gz OCGZHBYUUPBUHB-NSHDSACASA-N 0 0 420.332 4.504 50 0 HJAARN COc1ccc(CSc2nnc(COc3ccccc3Cl)n2C2CC2)cn1 ZINC000079015362 569423838 /nfs/dbraw/zinc/42/38/38/569423838.db2.gz GZZRVSRMWLZLTL-UHFFFAOYSA-N 0 0 402.907 4.541 50 0 HJAARN Cc1ccc(OCc2nc(CC(=O)Nc3scnc3C(C)(C)C)cs2)cc1 ZINC000079015520 569423921 /nfs/dbraw/zinc/42/39/21/569423921.db2.gz DZYXTVIMAAOHPC-UHFFFAOYSA-N 0 0 401.557 4.966 50 0 HJAARN C[C@@H](NC(=O)[C@H](C)Sc1ccccc1Cl)c1nc(Cc2ccccc2)no1 ZINC000079022638 569424410 /nfs/dbraw/zinc/42/44/10/569424410.db2.gz XJOOPFNTCSLHAG-KGLIPLIRSA-N 0 0 401.919 4.672 50 0 HJAARN CN(C(=O)C1(c2ccc(Br)cc2)CC1)c1ccc(-c2ccccc2)nn1 ZINC000079061302 569426325 /nfs/dbraw/zinc/42/63/25/569426325.db2.gz CYFRLEXAPTXQKT-UHFFFAOYSA-N 0 0 408.299 4.601 50 0 HJAARN Clc1ccc2[nH]c([C@H]3CCCN3c3nc(-c4ccccn4)nc4c3CCC4)nc2c1 ZINC000079061772 569426434 /nfs/dbraw/zinc/42/64/34/569426434.db2.gz PRMRDTBDRZSMQG-HXUWFJFHSA-N 0 0 416.916 4.899 50 0 HJAARN CC(C)Nc1cccc(CNC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1 ZINC000079073118 569426855 /nfs/dbraw/zinc/42/68/55/569426855.db2.gz MDAYQYWWONFKCF-UHFFFAOYSA-N 0 0 408.546 4.845 50 0 HJAARN Cc1cc2nc(SCC(=O)Nc3ccccc3C(C)C)n(CC(C)C)c(=O)c2[nH]1 ZINC000067237880 571050865 /nfs/dbraw/zinc/05/08/65/571050865.db2.gz YQGMKLOJOHKZFG-UHFFFAOYSA-N 0 0 412.559 4.543 50 0 HJAARN CC[C@H](C)n1c(=O)c2[nH]c(C)cc2nc1SCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000067238701 571051221 /nfs/dbraw/zinc/05/12/21/571051221.db2.gz MGPUZLSMDVLPDO-ZDUSSCGKSA-N 0 0 418.950 4.697 50 0 HJAARN 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/nfs/dbraw/zinc/97/35/12/525973512.db2.gz WSZHINYTAZLRRP-LJQANCHMSA-N 0 0 419.550 4.842 50 0 HJAARN CSc1ncc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2ccc(F)cc2)cn1 ZINC000020598555 526221585 /nfs/dbraw/zinc/22/15/85/526221585.db2.gz IQNVWTYMYPGEPD-JOCHJYFZSA-N 0 0 404.514 4.967 50 0 HJAARN O=C(Sc1ccc(Cl)cc1)C1=NN=C(c2ccc(Br)cc2)CO1 ZINC000041104950 526449317 /nfs/dbraw/zinc/44/93/17/526449317.db2.gz KYFDAWKJMGPGRL-UHFFFAOYSA-N 0 0 409.692 4.554 50 0 HJAARN O=C(c1ccco1)N1N=C(C2CC2)C[C@H]1c1cc2cc3c(cc2nc1Cl)OCCO3 ZINC000032608432 526831880 /nfs/dbraw/zinc/83/18/80/526831880.db2.gz OJPPYCQEWQPZLO-KRWDZBQOSA-N 0 0 423.856 4.606 50 0 HJAARN Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@@H]3c3cccs3)c2c1C ZINC000025346898 526891817 /nfs/dbraw/zinc/89/18/17/526891817.db2.gz DZNHHAOSKDSLGF-MRXNPFEDSA-N 0 0 414.600 4.543 50 0 HJAARN O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)Nc1ccc(F)cc1F ZINC000032578497 526946060 /nfs/dbraw/zinc/94/60/60/526946060.db2.gz LAVCGZMNGWFFJC-UHFFFAOYSA-N 0 0 407.376 4.699 50 0 HJAARN O=C(COc1ccc(Br)cc1)Nc1cncc(-c2nc3ccccc3o2)c1 ZINC000032581082 526948589 /nfs/dbraw/zinc/94/85/89/526948589.db2.gz SWLFGGGLFRFAPW-UHFFFAOYSA-N 0 0 424.254 4.670 50 0 HJAARN O=C(COc1cccc(-c2noc(Cc3ccccc3)n2)c1)Nc1ccccc1Cl ZINC000040488347 526972642 /nfs/dbraw/zinc/97/26/42/526972642.db2.gz AQTQYGVJRFLNNS-UHFFFAOYSA-N 0 0 419.868 4.998 50 0 HJAARN O=C(CSCc1nc(-c2ccc(F)cc2)no1)Nc1ccccc1C(F)(F)F ZINC000032943011 527031093 /nfs/dbraw/zinc/03/10/93/527031093.db2.gz ZNEGKAQSLKMLEQ-UHFFFAOYSA-N 0 0 411.380 4.766 50 0 HJAARN O=C(CSc1ncnc2ccccc21)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000032671906 527073169 /nfs/dbraw/zinc/07/31/69/527073169.db2.gz VSHRROVHTSBJFF-QGZVFWFLSA-N 0 0 420.519 4.754 50 0 HJAARN O=C(Nc1ccc(Cl)cc1Cl)c1cn(-c2cccc(Br)c2)nn1 ZINC000032815720 527184832 /nfs/dbraw/zinc/18/48/32/527184832.db2.gz QYRAIOKRGJFTMH-UHFFFAOYSA-N 0 0 412.074 4.589 50 0 HJAARN O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1COc1ccccc1 ZINC000032888975 527316779 /nfs/dbraw/zinc/31/67/79/527316779.db2.gz 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O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1Cc1cccnc1 ZINC000000634751 557029149 /nfs/dbraw/zinc/02/91/49/557029149.db2.gz JDHSZCBXNXKMQB-DEOSSOPVSA-N 0 0 412.518 4.709 50 0 HJAARN COc1ccc(C(=O)CNn2c(-c3ccc(Br)cc3)coc2=S)cc1 ZINC000000639496 557031454 /nfs/dbraw/zinc/03/14/54/557031454.db2.gz YMTNEKFZUCBSGG-UHFFFAOYSA-N 0 0 419.300 4.675 50 0 HJAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000000644005 557034425 /nfs/dbraw/zinc/03/44/25/557034425.db2.gz JCZHIEZHZWHLDW-LBPRGKRZSA-N 0 0 420.962 4.669 50 0 HJAARN Cc1cc(Br)cc(C)c1OCC(=O)Nc1ccccc1Br ZINC000000646323 557035891 /nfs/dbraw/zinc/03/58/91/557035891.db2.gz IAUFZIPQLDNCHB-UHFFFAOYSA-N 0 0 413.109 4.846 50 0 HJAARN Cc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000000646440 557036196 /nfs/dbraw/zinc/03/61/96/557036196.db2.gz FQCGWLVNTBSFFZ-SFHVURJKSA-N 0 0 414.296 4.821 50 0 HJAARN Cc1sc(NC(=O)COc2ccc(Br)cc2)nc1-c1ccccc1 ZINC000000646388 557036205 /nfs/dbraw/zinc/03/62/05/557036205.db2.gz 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CSc1nnc2c(n1)O[C@H](c1ccsc1)Nc1ccc(Br)cc1-2 ZINC000000713126 557067027 /nfs/dbraw/zinc/06/70/27/557067027.db2.gz OAAJBBJWUPOSQA-CYBMUJFWSA-N 0 0 407.318 4.588 50 0 HJAARN COc1ccc(O[C@@H]2C(=O)N(c3cccc(Cl)c3)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000000719131 557069412 /nfs/dbraw/zinc/06/94/12/557069412.db2.gz OLSOTXRMIHDESU-VXKWHMMOSA-N 0 0 423.852 4.613 50 0 HJAARN Cc1ccc(NC(=O)C2=C(C)N(C)C(=O)N[C@H]2c2ccc3c4c(cccc42)CC3)cc1 ZINC000000727083 557073623 /nfs/dbraw/zinc/07/36/23/557073623.db2.gz GIJFTDWCGSVFKV-DEOSSOPVSA-N 0 0 411.505 4.856 50 0 HJAARN CCOC(=O)c1oc2cc(OCC)ccc2c(=O)c1-c1ccc(Br)cc1 ZINC000000728039 557073845 /nfs/dbraw/zinc/07/38/45/557073845.db2.gz FWFNBJNXIFOLOX-UHFFFAOYSA-N 0 0 417.255 4.798 50 0 HJAARN C[C@@H](Sc1nnc(-c2ccco2)o1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000000784091 557079730 /nfs/dbraw/zinc/07/97/30/557079730.db2.gz FJLLRWIIIVDNBW-OAHLLOKOSA-N 0 0 405.479 4.716 50 0 HJAARN CCSc1nnc2c(n1)O[C@@H](c1ccco1)Nc1ccc(Br)cc1-2 ZINC000000795646 557082992 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CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(C(=O)Nc3nccs3)c2)cc1 ZINC000000852554 557101314 /nfs/dbraw/zinc/10/13/14/557101314.db2.gz IRQSJHBNLJZSSX-OAHLLOKOSA-N 0 0 409.511 4.926 50 0 HJAARN O=C(CSc1ccccn1)Nc1c2ccccc2oc1C(=O)c1ccc(F)cc1 ZINC000000862816 557104599 /nfs/dbraw/zinc/10/45/99/557104599.db2.gz XEMZNLFRUZSZRX-UHFFFAOYSA-N 0 0 406.438 4.929 50 0 HJAARN CC(C)CNC(=O)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000000865920 557105658 /nfs/dbraw/zinc/10/56/58/557105658.db2.gz NRSAJFVMUSVWFX-MWLCHTKSSA-N 0 0 406.861 4.644 50 0 HJAARN O=C(Nc1cccc(O)c1)c1cnn2c1N[C@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F ZINC000000866037 557105773 /nfs/dbraw/zinc/10/57/73/557105773.db2.gz WFFOLPFLWDPYPC-DLBZAZTESA-N 0 0 420.366 4.640 50 0 HJAARN Cc1ccc(C)c(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)c1 ZINC000000867238 557106521 /nfs/dbraw/zinc/10/65/21/557106521.db2.gz YWWSLYJQDMXTQQ-UHFFFAOYSA-N 0 0 415.518 4.733 50 0 HJAARN C[C@@H](C(=O)NC1CCCCC1)N(C(=O)c1ccc(-c2ccccc2)[nH]1)C1CCCC1 ZINC000000885532 557111090 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Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ncccc4o3)ccc2C)c(C)c1 ZINC000001105212 557179981 /nfs/dbraw/zinc/17/99/81/557179981.db2.gz VEYIZHOYRRWAMO-UHFFFAOYSA-N 0 0 416.506 4.942 50 0 HJAARN COc1cc(CNc2ccccc2Cl)cc(I)c1OC ZINC000001110540 557183141 /nfs/dbraw/zinc/18/31/41/557183141.db2.gz WTZMPPPBZHQCFI-UHFFFAOYSA-N 0 0 403.647 4.574 50 0 HJAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)NCc1ccco1 ZINC000001113799 557185729 /nfs/dbraw/zinc/18/57/29/557185729.db2.gz LQIPLVGGKZBUPZ-UHFFFAOYSA-N 0 0 424.913 4.589 50 0 HJAARN COC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1Cl ZINC000001115069 557186503 /nfs/dbraw/zinc/18/65/03/557186503.db2.gz YQYFJSMBBAGKGH-SECBINFHSA-N 0 0 402.661 4.839 50 0 HJAARN Cc1ccc(NC(=O)C(Cl)(Cl)Cl)c(NC(=O)C(Cl)(Cl)Cl)c1 ZINC000001115354 557186584 /nfs/dbraw/zinc/18/65/84/557186584.db2.gz GYXPIAKZRCIWQZ-UHFFFAOYSA-N 0 0 412.915 4.612 50 0 HJAARN CC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(F)cc1C ZINC000001119948 557190395 /nfs/dbraw/zinc/19/03/95/557190395.db2.gz KLVPUVCSXHQXPP-UHFFFAOYSA-N 0 0 401.459 4.501 50 0 HJAARN COc1ccc(CC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1OC ZINC000001125161 557194677 /nfs/dbraw/zinc/19/46/77/557194677.db2.gz DECYMJQROJXZMG-UHFFFAOYSA-N 0 0 415.449 4.602 50 0 HJAARN O=C(CCc1ccccc1)NC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000001126152 557195296 /nfs/dbraw/zinc/19/52/96/557195296.db2.gz DZJVNHBCJVWJQK-UHFFFAOYSA-N 0 0 400.507 4.676 50 0 HJAARN O=C(CSCc1ccccc1Cl)Nc1ccccc1C(=O)NCc1ccco1 ZINC000001134499 557200621 /nfs/dbraw/zinc/20/06/21/557200621.db2.gz HKVQARGDRQVRKB-UHFFFAOYSA-N 0 0 414.914 4.735 50 0 HJAARN CCOc1ccc(NC(=O)C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000001135688 557201115 /nfs/dbraw/zinc/20/11/15/557201115.db2.gz SXSIJUIVUAUZFO-UHFFFAOYSA-N 0 0 408.542 4.874 50 0 HJAARN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ccccc1F ZINC000001136957 557201661 /nfs/dbraw/zinc/20/16/61/557201661.db2.gz SYQVBFFMXFLGLB-UHFFFAOYSA-N 0 0 404.470 4.804 50 0 HJAARN CCc1cccc(C)c1NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O ZINC000001139579 557202947 /nfs/dbraw/zinc/20/29/47/557202947.db2.gz OEHCHSGSNCIEGG-UHFFFAOYSA-N 0 0 422.550 4.776 50 0 HJAARN C[C@@H](SCc1ccccc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000001141399 557204352 /nfs/dbraw/zinc/20/43/52/557204352.db2.gz GYOUGGDEEPINEQ-LJQANCHMSA-N 0 0 418.562 4.920 50 0 HJAARN Cc1cccc(NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000001146060 557207815 /nfs/dbraw/zinc/20/78/15/557207815.db2.gz JDSAWZUXLQJUKL-GOSISDBHSA-N 0 0 424.522 4.581 50 0 HJAARN CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000001153245 557212575 /nfs/dbraw/zinc/21/25/75/557212575.db2.gz YZCXIUXJHJBUKE-MRXNPFEDSA-N 0 0 415.331 4.566 50 0 HJAARN Cc1cccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2c(Cl)cccc2Cl)c1C ZINC000001156934 557214945 /nfs/dbraw/zinc/21/49/45/557214945.db2.gz YQIIDYQODKWQQV-GOSISDBHSA-N 0 0 404.297 4.877 50 0 HJAARN COc1cc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc(OC)c1OC ZINC000001156921 557214947 /nfs/dbraw/zinc/21/49/47/557214947.db2.gz OBYQFIXRZBPBCS-UHFFFAOYSA-N 0 0 405.494 4.664 50 0 HJAARN O=C(CSc1nnc(-c2ccccc2)n1Cc1ccccc1)Nc1ccc(F)cc1 ZINC000001158161 557215977 /nfs/dbraw/zinc/21/59/77/557215977.db2.gz KONMOVMVQJUECF-UHFFFAOYSA-N 0 0 418.497 4.863 50 0 HJAARN CCc1ccc(NC(=O)CSc2nnc(Cc3cccc4ccccc43)n2C)cc1 ZINC000001159623 557217356 /nfs/dbraw/zinc/21/73/56/557217356.db2.gz XSFISLBWSXHJLR-UHFFFAOYSA-N 0 0 416.550 4.852 50 0 HJAARN CC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 ZINC000001162434 557219099 /nfs/dbraw/zinc/21/90/99/557219099.db2.gz CSEQZKFRFIFGOP-UHFFFAOYSA-N 0 0 413.882 4.628 50 0 HJAARN CCCc1oc2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc2c1C(=O)OCC ZINC000001167399 557221797 /nfs/dbraw/zinc/22/17/97/557221797.db2.gz ZGHVUWLUMDRKOI-UHFFFAOYSA-N 0 0 415.511 4.980 50 0 HJAARN CCSc1nnc2c(n1)O[C@H](c1c[nH]nc1-c1ccccc1)Nc1ccccc1-2 ZINC000001168688 557222435 /nfs/dbraw/zinc/22/24/35/557222435.db2.gz LCQWKMFIWICSOM-LJQANCHMSA-N 0 0 402.483 4.544 50 0 HJAARN Cc1ccccc1C(=O)Nc1c(C(=O)Nc2ccc(F)cc2)cnn1-c1ccccc1 ZINC000001170708 557223807 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CCCOc1cccc(C(=O)Nc2ccc3nn(-c4ccc(N(C)C)cc4)nc3c2)c1 ZINC000002052060 557301415 /nfs/dbraw/zinc/30/14/15/557301415.db2.gz RFPKJVKDXWRUDY-UHFFFAOYSA-N 0 0 415.497 4.528 50 0 HJAARN CC1(C)c2ccccc2N(CC(=O)NCc2ccccc2)[C@]12C=Cc1ccccc1O2 ZINC000002181926 557322944 /nfs/dbraw/zinc/32/29/44/557322944.db2.gz OCKQUZCRHPFRMO-MHZLTWQESA-N 0 0 410.517 4.903 50 0 HJAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccccc2)cc1F ZINC000002226918 557328733 /nfs/dbraw/zinc/32/87/33/557328733.db2.gz CTGJGVRCIFTEET-UHFFFAOYSA-N 0 0 419.485 4.508 50 0 HJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)NCc1ccco1 ZINC000002235035 557329570 /nfs/dbraw/zinc/32/95/70/557329570.db2.gz DXFSWNAHTCJKPF-UHFFFAOYSA-N 0 0 419.264 4.534 50 0 HJAARN Fc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2F)N2NC=NC2=N3)cc1 ZINC000002247552 557331009 /nfs/dbraw/zinc/33/10/09/557331009.db2.gz GWPOHHYTADEDPK-DHIUTWEWSA-N 0 0 414.415 4.769 50 0 HJAARN CCOC(=O)C1=C(Nc2ccccc2)C=C(C)[C@@H](C(=O)OCC)[C@H]1c1ccccc1 ZINC000002250650 557331291 /nfs/dbraw/zinc/33/12/91/557331291.db2.gz OXNMVQWARCQQAH-FGZHOGPDSA-N 0 0 405.494 4.839 50 0 HJAARN CCOC(=O)[C@H](c1cc(C)cc(C)c1)[C@H]1C=C[C@H](NC(=O)c2cccc(C)c2C)C1 ZINC000022637986 557331578 /nfs/dbraw/zinc/33/15/78/557331578.db2.gz XIZPJCODBIISTD-SSPYTLHUSA-N 0 0 405.538 4.942 50 0 HJAARN CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccccc1)CC[C@@H](C(C)(C)C)C3 ZINC000002275432 557333533 /nfs/dbraw/zinc/33/35/33/557333533.db2.gz SGNHARKXAFZGIG-CYBMUJFWSA-N 0 0 424.595 4.968 50 0 HJAARN COc1ccc(CSc2nnc(-c3ccccn3)n2-c2ccc(OC)cc2)cc1 ZINC000002354952 557339797 /nfs/dbraw/zinc/33/97/97/557339797.db2.gz OIHUGNWAKHRERN-UHFFFAOYSA-N 0 0 404.495 4.639 50 0 HJAARN Cc1cccc(NC(=O)c2cc3c(nc4c(C)cccn4c3=O)n2Cc2ccccc2)c1 ZINC000002364310 557340774 /nfs/dbraw/zinc/34/07/74/557340774.db2.gz FBVLLEMSEDLMGD-UHFFFAOYSA-N 0 0 422.488 4.567 50 0 HJAARN COC(=O)c1cc2ccccc2c(-c2c(O)c(C(=O)OC)cc3ccccc32)c1O ZINC000002556293 557356396 /nfs/dbraw/zinc/35/63/96/557356396.db2.gz SCOGIYZPQMECLW-UHFFFAOYSA-N 0 0 402.402 4.644 50 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ZINC000009593272 557846381 /nfs/dbraw/zinc/84/63/81/557846381.db2.gz MHZADKTVOGFUFZ-UHFFFAOYSA-N 0 0 415.931 4.545 50 0 HJAARN Cc1cc(NC(=O)c2cc(-c3ccc(Br)cc3)on2)n(-c2ccccc2)n1 ZINC000009597813 557846599 /nfs/dbraw/zinc/84/65/99/557846599.db2.gz ROBQKTUZMSHFQJ-UHFFFAOYSA-N 0 0 423.270 4.851 50 0 HJAARN Cc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3ccccc3C)c2c1 ZINC000010272806 557857885 /nfs/dbraw/zinc/85/78/85/557857885.db2.gz UQJFMXIKKILNAE-UHFFFAOYSA-N 0 0 411.505 4.869 50 0 HJAARN CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)CC1=O ZINC000010462123 558257955 /nfs/dbraw/zinc/25/79/55/558257955.db2.gz NHQODFWTRKYTQC-HXUWFJFHSA-N 0 0 421.541 4.649 50 0 HJAARN CNC(=O)c1c(NC(=O)c2cc(Cl)sc2Cl)sc2c1CCCCC2 ZINC000004326521 558259195 /nfs/dbraw/zinc/25/91/95/558259195.db2.gz XGGICESYPXPPLN-UHFFFAOYSA-N 0 0 403.356 4.997 50 0 HJAARN CCOc1ccccc1-c1nc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)c(C)o1 ZINC000019739976 558260967 /nfs/dbraw/zinc/26/09/67/558260967.db2.gz VKLCYIQQGCYZCK-UHFFFAOYSA-N 0 0 419.525 4.574 50 0 HJAARN O=C(CC(F)(F)F)N1CCC[C@@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000011662004 558265854 /nfs/dbraw/zinc/26/58/54/558265854.db2.gz BOZXMDLBXLEZFH-MRXNPFEDSA-N 0 0 408.395 4.622 50 0 HJAARN Cc1cccc(OCCCn2c(CNC(=O)c3ccco3)nc3ccccc32)c1C ZINC000011667209 558269133 /nfs/dbraw/zinc/26/91/33/558269133.db2.gz OYHZKVKNUSIKCV-UHFFFAOYSA-N 0 0 403.482 4.645 50 0 HJAARN C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCCCOc1ccccc1 ZINC000011667368 558269335 /nfs/dbraw/zinc/26/93/35/558269335.db2.gz DJTLNCYFKHXZCR-GOSISDBHSA-N 0 0 403.482 4.980 50 0 HJAARN CC(=O)c1cc(C(=O)N2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cs1 ZINC000011714520 558271806 /nfs/dbraw/zinc/27/18/06/558271806.db2.gz HNGCGLTVHFJDFY-AWEZNQCLSA-N 0 0 409.429 4.705 50 0 HJAARN COc1ccc(C(=O)[C@H]2CCCN(C(=O)C=Cc3cccc(Cl)c3)C2)cc1F ZINC000011765231 558273867 /nfs/dbraw/zinc/27/38/67/558273867.db2.gz GPUPALRKVFDGBK-JEJOPICUSA-N 0 0 401.865 4.622 50 0 HJAARN COc1ccc(C(=O)[C@@H]2CCCN(C(=O)C=Cc3cccc(Cl)c3)C2)cc1F ZINC000011765221 558273919 /nfs/dbraw/zinc/27/39/19/558273919.db2.gz GPUPALRKVFDGBK-PYUISTEWSA-N 0 0 401.865 4.622 50 0 HJAARN CCc1ccc2nc(C)cc(C(=O)N3CCC[C@](CO)(Cc4ccc(F)cc4)C3)c2c1 ZINC000011769951 558274264 /nfs/dbraw/zinc/27/42/64/558274264.db2.gz OZHDOJJICUZQRA-SANMLTNESA-N 0 0 420.528 4.702 50 0 HJAARN O=C(Cn1cc2ccccc2n1)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000011934153 558298690 /nfs/dbraw/zinc/29/86/90/558298690.db2.gz MBWFRRXISLSBKX-AREMUKBSSA-N 0 0 424.479 4.831 50 0 HJAARN Cc1nc2ccccn2c1CN(C)C(=O)c1csc2nc(-c3ccccc3C)cn12 ZINC000011934905 558299141 /nfs/dbraw/zinc/29/91/41/558299141.db2.gz HARGTYAXRJBCTL-UHFFFAOYSA-N 0 0 415.522 4.600 50 0 HJAARN COc1ccc2cc([C@@H](C)NC(=O)c3cc(COc4ccc(C)nc4)on3)ccc2c1 ZINC000011937517 558301241 /nfs/dbraw/zinc/30/12/41/558301241.db2.gz HQKDMWPIBWONFB-MRXNPFEDSA-N 0 0 417.465 4.610 50 0 HJAARN COc1ccc(-c2cc(=O)oc3c2ccc2c3CN(CCc3ccccc3)CO2)cc1 ZINC000019882457 558301246 /nfs/dbraw/zinc/30/12/46/558301246.db2.gz HNWXMACUDFDAPR-UHFFFAOYSA-N 0 0 413.473 4.863 50 0 biogenic HJAARN O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(CCc1ccccc1F)CO3 ZINC000019882474 558301301 /nfs/dbraw/zinc/30/13/01/558301301.db2.gz KMRLHJPVPWUTQT-UHFFFAOYSA-N 0 0 401.437 4.994 50 0 HJAARN Cc1c2ccc(C)cc2oc1C(=O)N1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000011938506 558301832 /nfs/dbraw/zinc/30/18/32/558301832.db2.gz UBMZJMMZACRTNF-SFHVURJKSA-N 0 0 406.482 4.538 50 0 HJAARN Brc1ccc2c(c1)c1cc(Br)ccc1n2CN1CCOCC1 ZINC000019898307 558304323 /nfs/dbraw/zinc/30/43/23/558304323.db2.gz SZPIGOMAZMVFQC-UHFFFAOYSA-N 0 0 424.136 4.609 50 0 HJAARN COc1ccc(NC(=O)[C@H]2CC23CCN(C(=O)/C=C/c2ccccc2)CC3)cc1Cl ZINC000011970999 558304698 /nfs/dbraw/zinc/30/46/98/558304698.db2.gz WCTLEBHQZYZSAN-QPGLYAHGSA-N 0 0 424.928 4.629 50 0 HJAARN Cc1csc([C@@H](C)N(C)C(=O)CCc2nnc(CCCCc3ccccc3)o2)n1 ZINC000012027220 558310416 /nfs/dbraw/zinc/31/04/16/558310416.db2.gz FVOUFMUJKFZTMO-QGZVFWFLSA-N 0 0 412.559 4.552 50 0 HJAARN CCCCCOc1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1Br ZINC000019943266 558314280 /nfs/dbraw/zinc/31/42/80/558314280.db2.gz SQHYAXRQQVJGFN-GJZGRUSLSA-N 0 0 418.397 4.685 50 0 HJAARN COc1cccc(NC(=O)CCC2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)c1 ZINC000012055088 558315419 /nfs/dbraw/zinc/31/54/19/558315419.db2.gz PBKHOLCGJSPLET-UHFFFAOYSA-N 0 0 409.530 4.975 50 0 HJAARN COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(CO)o2)cc1C ZINC000012074216 558318954 /nfs/dbraw/zinc/31/89/54/558318954.db2.gz GEYCRQNVATTYPN-VWLOTQADSA-N 0 0 402.494 4.718 50 0 HJAARN C[C@@H](CNC(=O)CC[C@@]1(Cc2ccc3ccccc3c2)CCC(=O)N1)c1ccccc1 ZINC000012099144 558325538 /nfs/dbraw/zinc/32/55/38/558325538.db2.gz DABTXOWXAYYZIS-DCFHFQCYSA-N 0 0 414.549 4.731 50 0 HJAARN O=C1Nc2ccc(Cl)cc2[C@]12Oc1ccccc1[C@@H]1CC(c3ccc(F)cc3)=NN12 ZINC000012130049 558332330 /nfs/dbraw/zinc/33/23/30/558332330.db2.gz SLVBBLSCBBHIBX-REWPJTCUSA-N 0 0 419.843 4.828 50 0 HJAARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000010677903 558347484 /nfs/dbraw/zinc/34/74/84/558347484.db2.gz NPHSAMNWVXJGFA-AWEZNQCLSA-N 0 0 404.297 4.605 50 0 HJAARN COc1ccc(Cc2nc3ccc(C(=O)N(C)[C@@H](C)c4nccs4)cc3o2)cc1 ZINC000012196298 558349538 /nfs/dbraw/zinc/34/95/38/558349538.db2.gz GHUBUQKARKVDMQ-AWEZNQCLSA-N 0 0 407.495 4.717 50 0 HJAARN O=C(Nc1ccc(Oc2ccccc2F)cc1)C1CCN(C(=O)[C@@H]2CC23CCC3)CC1 ZINC000012199494 558350845 /nfs/dbraw/zinc/35/08/45/558350845.db2.gz GWTMPSPEPWOWBS-FQEVSTJZSA-N 0 0 422.500 4.985 50 0 HJAARN Cc1nc(CN(C)Cc2ccc(OCCN(C)C(=O)c3ccc(C)cc3)cc2)cs1 ZINC000020256783 558352195 /nfs/dbraw/zinc/35/21/95/558352195.db2.gz LGTYOPQDJQPVIJ-UHFFFAOYSA-N 0 0 423.582 4.543 50 0 HJAARN CCc1[nH]nc(C(=O)N2CCC[C@@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)c1C ZINC000012209447 558353816 /nfs/dbraw/zinc/35/38/16/558353816.db2.gz IMQVKFJEYAKVPU-LJQANCHMSA-N 0 0 417.509 4.808 50 0 HJAARN Cc1cc(C)cc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 ZINC000020345404 558356597 /nfs/dbraw/zinc/35/65/97/558356597.db2.gz YZPFGIRWIJTHRK-UHFFFAOYSA-N 0 0 411.552 4.913 50 0 HJAARN Cc1ccccc1-n1c(CNC(=O)C2CC2)nnc1SCc1ccccc1Cl ZINC000012243885 558360976 /nfs/dbraw/zinc/36/09/76/558360976.db2.gz WJAWHLHZJLVPCY-UHFFFAOYSA-N 0 0 412.946 4.548 50 0 HJAARN CCOC(=O)c1ccc(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)cc1 ZINC000012274593 558363632 /nfs/dbraw/zinc/36/36/32/558363632.db2.gz SJZKEZNKLMFKFQ-UHFFFAOYSA-N 0 0 414.255 4.554 50 0 HJAARN Cc1cnc(-n2ncc(C(=O)NC(C)C)c2-c2cccs2)nc1-c1ccc(F)cc1 ZINC000012278752 558364712 /nfs/dbraw/zinc/36/47/12/558364712.db2.gz MSGXHCRLDPQQDY-UHFFFAOYSA-N 0 0 421.501 4.644 50 0 HJAARN CC(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)s1 ZINC000012301177 558370964 /nfs/dbraw/zinc/37/09/64/558370964.db2.gz XSUODDOLIOBSSO-AWEZNQCLSA-N 0 0 409.429 4.705 50 0 HJAARN O=C(c1ccc(NCc2cc3ccccc3nc2Cl)cc1Cl)N1CCOCC1 ZINC000071986757 558371625 /nfs/dbraw/zinc/37/16/25/558371625.db2.gz IEFXOQXRNJBUTL-UHFFFAOYSA-N 0 0 416.308 4.626 50 0 HJAARN CC(C)(C)c1ccc(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000020468171 558374233 /nfs/dbraw/zinc/37/42/33/558374233.db2.gz URVZUFBDFGLQCJ-UHFFFAOYSA-N 0 0 422.594 4.644 50 0 HJAARN CCc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n(CCCOC)c3n2)cc1 ZINC000020605588 558387719 /nfs/dbraw/zinc/38/77/19/558387719.db2.gz RKVWWXDOWDPRAS-UHFFFAOYSA-N 0 0 423.460 4.739 50 0 HJAARN CC[C@@H](C(=O)Nc1cc(C)n(C2CCCC2)n1)n1nc(C(F)(F)F)c2c1CCC2 ZINC000020607554 558388510 /nfs/dbraw/zinc/38/85/10/558388510.db2.gz VODREMPXTRAFNP-HNNXBMFYSA-N 0 0 409.456 4.600 50 0 HJAARN CC[C@H](C)c1ccc(S(=O)(=O)N(Cc2cnn(CC)c2)Cc2ccccc2)cc1 ZINC000020608242 558389014 /nfs/dbraw/zinc/38/90/14/558389014.db2.gz AKMZAWJRBKCADA-IBGZPJMESA-N 0 0 411.571 4.808 50 0 HJAARN Cc1cc(C)n(C[C@@H](C)NC(=O)c2ccc3oc(Cc4ccc(Cl)cc4)nc3c2)n1 ZINC000012373342 558390816 /nfs/dbraw/zinc/39/08/16/558390816.db2.gz BJJADISDWPVHAF-OAHLLOKOSA-N 0 0 422.916 4.704 50 0 HJAARN O=C1C[C@H](c2cccs2)c2scc(S(=O)(=O)c3ccc(Cl)cc3)c2N1 ZINC000012374971 558391560 /nfs/dbraw/zinc/39/15/60/558391560.db2.gz ISTOQGYIRGDLEN-GFCCVEGCSA-N 0 0 409.941 4.770 50 0 HJAARN C[C@H](NC(=O)c1cc2c(C(F)(F)F)nn(C)c2s1)c1ccc(-n2cccc2)cc1 ZINC000020616170 558393088 /nfs/dbraw/zinc/39/30/88/558393088.db2.gz WTMWDARWYMPCAH-LBPRGKRZSA-N 0 0 418.444 4.935 50 0 HJAARN Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(-n2cc(Cl)cn2)cc1 ZINC000020616655 558393284 /nfs/dbraw/zinc/39/32/84/558393284.db2.gz NNEPSNVCQKFEHC-UHFFFAOYSA-N 0 0 422.872 4.962 50 0 HJAARN Cc1ccn(-c2ccc(NC(=O)c3ccccc3OCc3c(C)noc3C)cc2)n1 ZINC000020616481 558393303 /nfs/dbraw/zinc/39/33/03/558393303.db2.gz CRWFOBRRFAETEZ-UHFFFAOYSA-N 0 0 402.454 4.617 50 0 HJAARN CC(C)C(=O)NCCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1 ZINC000012381920 558393541 /nfs/dbraw/zinc/39/35/41/558393541.db2.gz VKIQMMYNJPSOQQ-UHFFFAOYSA-N 0 0 413.949 4.864 50 0 HJAARN CC(=O)c1cc(CN2CCC[C@@H](CCC(=O)NCc3ccccc3Cl)C2)cs1 ZINC000012387138 558395834 /nfs/dbraw/zinc/39/58/34/558395834.db2.gz QHNFEBKDOBNEEP-KRWDZBQOSA-N 0 0 418.990 4.913 50 0 HJAARN COC(=O)c1cc(-c2ccc(OC(F)F)cc2)nc2c1cnn2-c1ccc(F)cc1 ZINC000012396227 558397298 /nfs/dbraw/zinc/39/72/98/558397298.db2.gz JQSGPROBTOTNEJ-UHFFFAOYSA-N 0 0 413.355 4.615 50 0 HJAARN O=C([O-])[C@@H](c1c[nH]c2cc(F)ccc21)[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000020715184 558401173 /nfs/dbraw/zinc/40/11/73/558401173.db2.gz UAUXRNZOMBPNQZ-OAQYLSRUSA-N 0 0 411.408 4.593 50 0 HJAARN CCOc1ccccc1CNC(=O)C(=O)c1c2ccccc2n(C)c1-c1ccccc1 ZINC000012412470 558401210 /nfs/dbraw/zinc/40/12/10/558401210.db2.gz XKTRXTWWRDFZDB-UHFFFAOYSA-N 0 0 412.489 4.743 50 0 HJAARN O=C(c1cnccn1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000012430658 558405104 /nfs/dbraw/zinc/40/51/04/558405104.db2.gz UDDUMFWLYJIWIY-NRFANRHFSA-N 0 0 422.410 4.765 50 0 HJAARN Cc1[nH]c2ccccc2c1[C@@H](C(=O)[O-])[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000020727338 558405107 /nfs/dbraw/zinc/40/51/07/558405107.db2.gz ARRBTHWSLKPHNQ-FQEVSTJZSA-N 0 0 418.324 4.731 50 0 HJAARN CC[C@@H](NC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)c1ccc(C)cc1 ZINC000012430743 558405500 /nfs/dbraw/zinc/40/55/00/558405500.db2.gz MUUATOPYJHAVDI-XMMPIXPASA-N 0 0 420.553 4.656 50 0 HJAARN Cc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN(c4ccc(Cl)c(Cl)c4)CC3)c2c1 ZINC000020739072 558408627 /nfs/dbraw/zinc/40/86/27/558408627.db2.gz VZXLVFNONDQUGI-HXUWFJFHSA-N 0 0 418.324 4.731 50 0 HJAARN O=C1Nc2ccccc2CC[C@H]1Sc1nnc(-c2ccc(Br)cc2)o1 ZINC000020739694 558408823 /nfs/dbraw/zinc/40/88/23/558408823.db2.gz CFNXNQCVGNRUPP-OAHLLOKOSA-N 0 0 416.300 4.545 50 0 HJAARN COc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(C)cc3)CC2=O)c1 ZINC000012447738 558415221 /nfs/dbraw/zinc/41/52/21/558415221.db2.gz XWKYOYYVWAOZGC-FQEVSTJZSA-N 0 0 411.505 4.922 50 0 HJAARN O=C(Cc1cccc2ccccc21)NC[C@@H]1Cc2c(c(-c3ccncc3)ccc2F)O1 ZINC000012455999 558417229 /nfs/dbraw/zinc/41/72/29/558417229.db2.gz MWYXGRPAANIYFC-FQEVSTJZSA-N 0 0 412.464 4.703 50 0 HJAARN O=C(NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000010694616 558418092 /nfs/dbraw/zinc/41/80/92/558418092.db2.gz PELHASVZHMNVCB-OAQYLSRUSA-N 0 0 412.489 4.891 50 0 HJAARN Cc1nn(C)cc1CN(C)Cc1cn(-c2cccc(C)c2)nc1-c1cccc(F)c1 ZINC000012458820 558418572 /nfs/dbraw/zinc/41/85/72/558418572.db2.gz CBGABKBEPWUHFV-UHFFFAOYSA-N 0 0 403.505 4.661 50 0 HJAARN Cc1nc(C)c(CC(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2C)s1 ZINC000012469736 558421397 /nfs/dbraw/zinc/42/13/97/558421397.db2.gz CMYQBYBVVIILIM-SFHVURJKSA-N 0 0 408.571 4.626 50 0 HJAARN Cc1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1cccc(Cl)c1 ZINC000004341695 558425277 /nfs/dbraw/zinc/42/52/77/558425277.db2.gz KFBXATCDVKIFNK-UHFFFAOYSA-N 0 0 409.902 4.508 50 0 HJAARN Cc1c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2oc(=O)c1-c1ccccc1 ZINC000004340256 558426424 /nfs/dbraw/zinc/42/64/24/558426424.db2.gz XBSQNHDIMAIRGV-UHFFFAOYSA-N 0 0 400.386 4.716 50 0 HJAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)o1 ZINC000012573158 558429891 /nfs/dbraw/zinc/42/98/91/558429891.db2.gz RXXJGFXUTDAMHJ-SFHVURJKSA-N 0 0 407.441 4.829 50 0 HJAARN Cc1nnc(-c2cccc(NC(=O)[C@H]3CCCCN3C(=O)CC3=CCCCC3)c2)s1 ZINC000012577057 558431305 /nfs/dbraw/zinc/43/13/05/558431305.db2.gz AQXFBQZGIILCSD-HXUWFJFHSA-N 0 0 424.570 4.724 50 0 HJAARN COc1ccccc1OC1CCN(Cc2nc(-c3cc(F)ccc3F)oc2C)CC1 ZINC000012587619 558434644 /nfs/dbraw/zinc/43/46/44/558434644.db2.gz OROYRKDBQOZVHO-UHFFFAOYSA-N 0 0 414.452 4.980 50 0 HJAARN COc1ccc([C@@H](CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)NC(C)=O)cc1 ZINC000021466972 558438826 /nfs/dbraw/zinc/43/88/26/558438826.db2.gz KVGCVURYQCHZJQ-XMMPIXPASA-N 0 0 408.542 4.577 50 0 HJAARN COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2)c1 ZINC000004353917 558439563 /nfs/dbraw/zinc/43/95/63/558439563.db2.gz MBOULFOTYOLIQZ-UHFFFAOYSA-N 0 0 416.433 4.955 50 0 HJAARN O=C(NC[C@H](c1cccs1)N1CCOCC1)c1sc2cc(F)ccc2c1Cl ZINC000021540788 558441242 /nfs/dbraw/zinc/44/12/42/558441242.db2.gz JZYFUJPUSLCAQI-CQSZACIVSA-N 0 0 424.950 4.559 50 0 HJAARN CCOc1ccc2oc(C(=O)OCC(=O)c3ccc(Br)cc3)c(C)c2c1 ZINC000012634644 558442730 /nfs/dbraw/zinc/44/27/30/558442730.db2.gz RPVHSQCZCZNSMZ-UHFFFAOYSA-N 0 0 417.255 4.942 50 0 HJAARN COc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C)c(Cl)c4)nc3c2)c(OC)c1 ZINC000012651352 558444011 /nfs/dbraw/zinc/44/40/11/558444011.db2.gz ZVBVDMCYCQEBKG-UHFFFAOYSA-N 0 0 422.872 4.652 50 0 HJAARN CC[C@@H](C)Sc1nc2c(c(=O)n1-c1ccc(OC(F)(F)F)cc1)SCC2 ZINC000004358880 558447229 /nfs/dbraw/zinc/44/72/29/558447229.db2.gz HQHKVTKPKWFBMW-SNVBAGLBSA-N 0 0 402.463 4.670 50 0 HJAARN O=c1c2c(nc(SCc3ccccc3Cl)n1Cc1ccccc1)CCS2 ZINC000004358761 558447274 /nfs/dbraw/zinc/44/72/74/558447274.db2.gz MCZUBFPAOGPLJG-UHFFFAOYSA-N 0 0 400.956 4.886 50 0 HJAARN O=C(NC[C@H](c1ccc(Cl)cc1)N1CCCCC1)c1cc(-c2ccccc2)on1 ZINC000021805378 558450522 /nfs/dbraw/zinc/45/05/22/558450522.db2.gz CLMHWLJISKMDTP-OAQYLSRUSA-N 0 0 409.917 4.952 50 0 HJAARN COc1ccc(-c2nc(CN(C)[C@@H](C)c3nc(C)cs3)c(C)o2)c(OC)c1C ZINC000012744905 558457916 /nfs/dbraw/zinc/45/79/16/558457916.db2.gz WHELIISKEUKKPL-AWEZNQCLSA-N 0 0 401.532 4.934 50 0 HJAARN COc1ccc2nc(NC(=O)CSC3=Nc4ccccc4CS3)sc2c1 ZINC000022021991 558458355 /nfs/dbraw/zinc/45/83/55/558458355.db2.gz OEKIRZVYJCLYLF-UHFFFAOYSA-N 0 0 401.538 4.911 50 0 HJAARN COc1ccccc1C(=O)[C@H]1CCCN(C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000012759035 558460657 /nfs/dbraw/zinc/46/06/57/558460657.db2.gz 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558473022 /nfs/dbraw/zinc/47/30/22/558473022.db2.gz OOPKVCZYQVJWSQ-UHFFFAOYSA-N 0 0 414.358 4.626 50 0 HJAARN Cc1nc2c(c(N3CCCCC3)n1)CN(C(=O)Nc1cccc(Cl)c1Cl)CC2 ZINC000004373202 558474309 /nfs/dbraw/zinc/47/43/09/558474309.db2.gz LEEPQFPZZRUIPF-UHFFFAOYSA-N 0 0 420.344 4.672 50 0 HJAARN COc1ccc2oc(C(=O)OCC(=O)N(Cc3ccccc3)C(C)(C)C)c(C)c2c1 ZINC000012809724 558474546 /nfs/dbraw/zinc/47/45/46/558474546.db2.gz MKTSSIBSSMXVDN-UHFFFAOYSA-N 0 0 409.482 4.734 50 0 HJAARN COc1ccc2cc(CN(C)C(=O)c3ccc(CSc4nc[nH]n4)cc3)ccc2c1 ZINC000022276019 558475565 /nfs/dbraw/zinc/47/55/65/558475565.db2.gz WCEGTCOVPCYJGC-UHFFFAOYSA-N 0 0 418.522 4.531 50 0 HJAARN C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3cccc(Br)c3)n2)C1 ZINC000022293792 558476693 /nfs/dbraw/zinc/47/66/93/558476693.db2.gz DQKQNFJFJHXCPR-STQMWFEESA-N 0 0 408.365 4.636 50 0 HJAARN COc1ccc([C@H]2CCCN2C(=O)COc2ccc(Br)cc2Cl)cc1 ZINC000012887495 558483342 /nfs/dbraw/zinc/48/33/42/558483342.db2.gz HFFDTPVTQQSTHP-QGZVFWFLSA-N 0 0 424.722 4.854 50 0 HJAARN Cc1nc(-c2cccc(C)c2)sc1CCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000004392387 558485035 /nfs/dbraw/zinc/48/50/35/558485035.db2.gz NEDRDXZTQBYRIH-UHFFFAOYSA-N 0 0 406.960 4.601 50 0 HJAARN CCN(CC)C(=O)c1cccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C)c1 ZINC000012927509 558486490 /nfs/dbraw/zinc/48/64/90/558486490.db2.gz XMDHBTSFZYMBAP-UHFFFAOYSA-N 0 0 410.905 4.568 50 0 HJAARN Cc1ccc(CSCCNC(=O)[C@H](NC(=O)c2cccs2)c2ccccc2)cc1 ZINC000012945088 558487917 /nfs/dbraw/zinc/48/79/17/558487917.db2.gz MBKPPIJTZXVTBO-OAQYLSRUSA-N 0 0 424.591 4.577 50 0 HJAARN COc1ccc(-n2c3ccccc3nc2SCc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000012970523 558488614 /nfs/dbraw/zinc/48/86/14/558488614.db2.gz BGWKBXPXNASJDR-UHFFFAOYSA-N 0 0 414.490 4.563 50 0 HJAARN C[C@H](Oc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000012978137 558492392 /nfs/dbraw/zinc/49/23/92/558492392.db2.gz LTNXYFPLSMNSHK-SFHVURJKSA-N 0 0 400.478 4.886 50 0 HJAARN O=C(OCc1coc(-c2ccccc2)n1)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000012978684 558492539 /nfs/dbraw/zinc/49/25/39/558492539.db2.gz FRKCJTXZZKJVCT-UHFFFAOYSA-N 0 0 417.440 4.902 50 0 HJAARN O=c1c(C(F)(F)F)cccn1Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000012981609 558493609 /nfs/dbraw/zinc/49/36/09/558493609.db2.gz LPUSULUNWPDHEI-UHFFFAOYSA-N 0 0 400.809 4.604 50 0 HJAARN CCOc1ccc([C@@H]2CCCN2Cn2nc(-c3ccccc3F)n(C)c2=S)cc1 ZINC000012990400 558496624 /nfs/dbraw/zinc/49/66/24/558496624.db2.gz QSDSMEFWVLWQIG-FQEVSTJZSA-N 0 0 412.534 4.950 50 0 HJAARN CC(C)c1nnc(S[C@H](C)C(=O)N2CCC(Cc3ccccc3)CC2)n1C1CC1 ZINC000012995662 558498621 /nfs/dbraw/zinc/49/86/21/558498621.db2.gz GGFJFVSTLZMBOT-QGZVFWFLSA-N 0 0 412.603 4.698 50 0 HJAARN O=C(Cc1csc(-c2ccc(F)cc2)n1)Oc1ccc(Br)cc1F ZINC000013003272 558501285 /nfs/dbraw/zinc/50/12/85/558501285.db2.gz MQQUFECAXYKFGJ-UHFFFAOYSA-N 0 0 410.239 4.999 50 0 HJAARN CCCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)C(C)C ZINC000004408216 558502010 /nfs/dbraw/zinc/50/20/10/558502010.db2.gz PHBITNSHFUUUSE-UHFFFAOYSA-N 0 0 404.551 4.619 50 0 HJAARN Cc1nc2sc3c(c2c(NC[C@@H](c2c(F)cccc2Cl)N(C)C)n1)CCC3 ZINC000013040022 558506448 /nfs/dbraw/zinc/50/64/48/558506448.db2.gz RWGWHSBAODFTEA-HNNXBMFYSA-N 0 0 404.942 4.996 50 0 HJAARN Clc1cccc(N2CCN(c3nc(-c4cccnc4)nc4ccccc43)CC2)c1 ZINC000013097261 558513653 /nfs/dbraw/zinc/51/36/53/558513653.db2.gz XYDLXUMLQFRDMQ-UHFFFAOYSA-N 0 0 401.901 4.672 50 0 HJAARN O=C(COc1ccc(Cl)cc1)Nc1ccc(Br)cc1Br ZINC000013098819 558514085 /nfs/dbraw/zinc/51/40/85/558514085.db2.gz VVVKSADXZOPGHG-UHFFFAOYSA-N 0 0 419.500 4.883 50 0 HJAARN O=C(NCCSc1ccccc1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000013120625 558517044 /nfs/dbraw/zinc/51/70/44/558517044.db2.gz OTGLFUWPVIHMBR-UHFFFAOYSA-N 0 0 424.591 4.774 50 0 HJAARN COc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3[C@@H]2CCOC(C)(C)C2)cc1 ZINC000013123344 558517886 /nfs/dbraw/zinc/51/78/86/558517886.db2.gz WFSCFDJYVYIFDV-BEFAXECRSA-N 0 0 401.532 4.754 50 0 HJAARN CS(=O)(=O)c1ccc2nc(NC(=O)Cc3ccc(-c4ccccc4)cc3)sc2c1 ZINC000013135072 558520762 /nfs/dbraw/zinc/52/07/62/558520762.db2.gz SEZLMWSDJNEVIV-UHFFFAOYSA-N 0 0 422.531 4.548 50 0 HJAARN Cc1oc(-c2ccccc2)nc1C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000022917754 558521991 /nfs/dbraw/zinc/52/19/91/558521991.db2.gz YIFVNLSPMKMMPK-UHFFFAOYSA-N 0 0 405.435 4.755 50 0 HJAARN Cc1ccc(F)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000013141676 558522124 /nfs/dbraw/zinc/52/21/24/558522124.db2.gz BDBBNEDWYRPTGD-UHFFFAOYSA-N 0 0 424.925 4.605 50 0 HJAARN C[C@H](Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1)C(=O)NCc1cccs1 ZINC000013163875 558524779 /nfs/dbraw/zinc/52/47/79/558524779.db2.gz SDDQBBLEPJZHOB-ZDUSSCGKSA-N 0 0 423.567 4.620 50 0 HJAARN C[C@H]1CCN(C(=O)Cn2c3ccccc3nc2C(F)(F)F)c2ccccc2S1 ZINC000022989885 558529272 /nfs/dbraw/zinc/52/92/72/558529272.db2.gz USGOELSQWZAEQK-ZDUSSCGKSA-N 0 0 405.445 4.973 50 0 HJAARN O=C(Nc1ccc(Cl)cc1Cl)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000013388920 558531172 /nfs/dbraw/zinc/53/11/72/558531172.db2.gz PADIRUXHBCODMK-HOTGVXAUSA-N 0 0 415.276 4.701 50 0 HJAARN O=S(=O)(CCN1CCc2sccc2[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000023039902 558531177 /nfs/dbraw/zinc/53/11/77/558531177.db2.gz SQDJMLSBKIWBSL-NRFANRHFSA-N 0 0 417.983 4.823 50 0 HJAARN O=C(Cn1cnc2c(-c3ccccc3)csc2c1=O)Nc1ccc(F)cc1Cl ZINC000023126449 558536095 /nfs/dbraw/zinc/53/60/95/558536095.db2.gz ZDUJCDDAXYPMOU-UHFFFAOYSA-N 0 0 413.861 4.556 50 0 HJAARN CC(C)c1cc(CNCc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)on1 ZINC000023129556 558536956 /nfs/dbraw/zinc/53/69/56/558536956.db2.gz PEKMMDTUTKTFPE-UHFFFAOYSA-N 0 0 416.481 4.669 50 0 HJAARN O=C(CCC(=O)c1cccs1)NCCSCc1ccc(Br)s1 ZINC000023151500 558538980 /nfs/dbraw/zinc/53/89/80/558538980.db2.gz VYZLFBXHDXQPMF-UHFFFAOYSA-N 0 0 418.403 4.585 50 0 HJAARN O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1sc2ccccc2c1Cl ZINC000013568959 558541388 /nfs/dbraw/zinc/54/13/88/558541388.db2.gz CJPCBALUELASKB-UHFFFAOYSA-N 0 0 411.899 4.973 50 0 HJAARN CN1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000013570644 558542152 /nfs/dbraw/zinc/54/21/52/558542152.db2.gz JRKXZSDHWWDBMI-RZTXVSJASA-N 0 0 416.908 4.716 50 0 HJAARN CN(Cc1ccc(Cl)s1)C(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000023221592 558543241 /nfs/dbraw/zinc/54/32/41/558543241.db2.gz RWBWTYVDUBHCPX-UHFFFAOYSA-N 0 0 417.889 4.809 50 0 HJAARN Cc1c(C(=O)N2CCCCC2)c(NC(=O)C2CCOCC2)sc1-c1ccccc1 ZINC000023272044 558547318 /nfs/dbraw/zinc/54/73/18/558547318.db2.gz NVDOOQREFXSPMF-UHFFFAOYSA-N 0 0 412.555 4.715 50 0 HJAARN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)COc1ccccc1C(C)(C)C ZINC000010904581 558551116 /nfs/dbraw/zinc/55/11/16/558551116.db2.gz HKWBWSFCNJATRW-UHFFFAOYSA-N 0 0 405.542 4.541 50 0 HJAARN COC(=O)c1cc(-c2cccs2)nc2c3c(nn21)nc(C(F)(F)F)cc3C1CC1 ZINC000013645426 558556462 /nfs/dbraw/zinc/55/64/62/558556462.db2.gz HGHITJZSOWTWAG-UHFFFAOYSA-N 0 0 418.400 4.689 50 0 HJAARN CN(C(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1)c1ccccc1 ZINC000013675330 558564057 /nfs/dbraw/zinc/56/40/57/558564057.db2.gz VHJYDIJOAUUEJZ-RUZDIDTESA-N 0 0 416.546 4.780 50 0 HJAARN CCCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1cccc(C)c1 ZINC000023634803 558564082 /nfs/dbraw/zinc/56/40/82/558564082.db2.gz OHGWEVLVTHYNHR-HNNXBMFYSA-N 0 0 405.527 4.753 50 0 HJAARN FC(F)(F)c1ccc(N2CCN(Cc3csc(-c4cccs4)n3)CC2)nc1 ZINC000023883338 558580399 /nfs/dbraw/zinc/58/03/99/558580399.db2.gz OWPZEMDHGCYWGF-UHFFFAOYSA-N 0 0 410.490 4.608 50 0 HJAARN COc1cc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)cc(OC)c1OC ZINC000013725570 558584127 /nfs/dbraw/zinc/58/41/27/558584127.db2.gz OYYNVIVJPAWKBM-UHFFFAOYSA-N 0 0 418.902 4.671 50 0 HJAARN Cc1ccc(Nc2ncnc3ccccc32)cc1S(=O)(=O)Nc1ccccc1F ZINC000024059026 558587084 /nfs/dbraw/zinc/58/70/84/558587084.db2.gz YVYLLQPOFDMPFX-UHFFFAOYSA-N 0 0 408.458 4.622 50 0 HJAARN Clc1ccc(OCc2nn3c(COc4ccccc4)nnc3s2)c(Cl)c1 ZINC000013732209 558587145 /nfs/dbraw/zinc/58/71/45/558587145.db2.gz SCTCFYHPGMIUTK-UHFFFAOYSA-N 0 0 407.282 4.651 50 0 HJAARN CCCn1c2cc(C(F)(F)F)ccc2nc1SCc1nnnn1-c1ccccc1 ZINC000024108171 558589371 /nfs/dbraw/zinc/58/93/71/558589371.db2.gz 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COc1ccccc1N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)C1CCCCC1 ZINC000013786344 558593327 /nfs/dbraw/zinc/59/33/27/558593327.db2.gz CEBUNFUUKGLAPB-UHFFFAOYSA-N 0 0 404.510 4.959 50 0 HJAARN O=C(c1ccc2c(c1)NC(=O)CS2)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000024384345 558596850 /nfs/dbraw/zinc/59/68/50/558596850.db2.gz KXTSLLULCXIXHP-INIZCTEOSA-N 0 0 409.536 4.708 50 0 HJAARN CN(C)c1ccc(-c2nnc3sc(C(C)(C)Oc4ccc(Cl)cc4)nn32)cc1 ZINC000013842969 558597325 /nfs/dbraw/zinc/59/73/25/558597325.db2.gz KNKFUPASQCREAZ-UHFFFAOYSA-N 0 0 413.934 4.886 50 0 HJAARN Cc1oc(-c2cccs2)nc1CC(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000024502054 558599507 /nfs/dbraw/zinc/59/95/07/558599507.db2.gz HXONSNJFVKWAOD-UHFFFAOYSA-N 0 0 424.522 4.954 50 0 HJAARN O=C(OCn1nnc2ccccc21)c1cc(/C=C/c2ccccc2)nc2ccccc21 ZINC000013942892 558605238 /nfs/dbraw/zinc/60/52/38/558605238.db2.gz SFKNAGWLMAIBRV-CCEZHUSRSA-N 0 0 406.445 4.964 50 0 HJAARN CCn1c(S[C@@H](C)C(=O)c2c[nH]c3ccccc32)nnc1-c1ccccc1OC ZINC000024638297 558605974 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/nfs/dbraw/zinc/71/71/18/558717118.db2.gz SZVSHNPCVXGDPR-AWEZNQCLSA-N 0 0 408.445 4.557 50 0 HJAARN CSc1ncccc1C(=O)N1CCC[C@@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000015077373 558717163 /nfs/dbraw/zinc/71/71/63/558717163.db2.gz SZVSHNPCVXGDPR-CQSZACIVSA-N 0 0 408.445 4.557 50 0 HJAARN Cc1nc(NC(=O)COC(c2ccccc2)c2ccccc2)sc1-c1nccn1C ZINC000029582851 558717263 /nfs/dbraw/zinc/71/72/63/558717263.db2.gz JYCGZSGDSXPUJL-UHFFFAOYSA-N 0 0 418.522 4.597 50 0 HJAARN O=C1c2ccccc2-c2c[nH]c3c2c1c(O)c(N1CCOCC1)c3Oc1ccccc1 ZINC000015080128 558718719 /nfs/dbraw/zinc/71/87/19/558718719.db2.gz CXHBFUZIGMQPIL-UHFFFAOYSA-N 0 0 412.445 4.714 50 0 HJAARN COc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(OC)c(OC)c4)csc32)cc1O ZINC000015106982 558723105 /nfs/dbraw/zinc/72/31/05/558723105.db2.gz WRWFVCQZWJKGTR-AWEZNQCLSA-N 0 0 411.479 4.621 50 0 HJAARN Cc1ccc(C)c(CN2c3ccccc3[C@@](O)(CC(=O)c3cc(C)ccc3C)C2=O)c1 ZINC000004556285 558725485 /nfs/dbraw/zinc/72/54/85/558725485.db2.gz KNFNRNMYIYLUHP-MHZLTWQESA-N 0 0 413.517 4.928 50 0 HJAARN COc1ncccc1CNC(=O)[C@@](C)(Cc1nc2ccccc2s1)c1ccccc1 ZINC000030304562 558728681 /nfs/dbraw/zinc/72/86/81/558728681.db2.gz MDUXTYPOSZJYLA-DEOSSOPVSA-N 0 0 417.534 4.517 50 0 HJAARN Cc1ccc(C(=O)Nc2ccc(SC3CCCC3)cc2)cc1NS(C)(=O)=O ZINC000030510017 558731286 /nfs/dbraw/zinc/73/12/86/558731286.db2.gz PANWHOWUMAWWQF-UHFFFAOYSA-N 0 0 404.557 4.654 50 0 HJAARN O=C(NCc1ccc(Cn2ccnc2)cc1)c1ccccc1SCc1cscn1 ZINC000030563926 558732870 /nfs/dbraw/zinc/73/28/70/558732870.db2.gz UPSMIWLIRCEWTA-UHFFFAOYSA-N 0 0 420.563 4.610 50 0 HJAARN CCOc1ccc(N2C(=O)CN(c3ccc(C)c(C)c3)C(=O)[C@H]2c2ccccc2)cc1 ZINC000015412665 558738313 /nfs/dbraw/zinc/73/83/13/558738313.db2.gz GPYFYIFXAPUNBL-RUZDIDTESA-N 0 0 414.505 4.823 50 0 HJAARN Cc1ccc([C@@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccccc2F)cc1 ZINC000015412625 558738384 /nfs/dbraw/zinc/73/83/84/558738384.db2.gz UTYKXJOSPMPLCN-XMMPIXPASA-N 0 0 402.469 4.872 50 0 HJAARN CC(C)c1cc([C@@H]2[NH2+][C@H](C(=O)[O-])Cc3c4cc(O)ccc4[nH]c32)cc(C(C)C)c1O ZINC000015414530 558738998 /nfs/dbraw/zinc/73/89/98/558738998.db2.gz TXQSZBSNCHVKCA-SFTDATJTSA-N 0 0 408.498 4.514 50 0 HJAARN O=C(Nc1ccc2ccccc2c1)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000015415852 558739287 /nfs/dbraw/zinc/73/92/87/558739287.db2.gz WMNCDOFDPTVBRY-UHFFFAOYSA-N 0 0 405.457 4.850 50 0 HJAARN Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c(Br)c1 ZINC000015426186 558739733 /nfs/dbraw/zinc/73/97/33/558739733.db2.gz UAVASKMDKFXCTG-OAHLLOKOSA-N 0 0 416.319 4.640 50 0 HJAARN C[C@H](SCCOc1ccccc1Cl)C(=O)N1c2ccccc2NC(=O)C1(C)C ZINC000015492176 558741550 /nfs/dbraw/zinc/74/15/50/558741550.db2.gz YNGOTOVXXRKFKR-AWEZNQCLSA-N 0 0 418.946 4.604 50 0 HJAARN COc1ccc(C(=O)Oc2ccc(NC(=O)c3ccccc3Cl)cc2)c(OC)c1 ZINC000015540333 558742881 /nfs/dbraw/zinc/74/28/81/558742881.db2.gz PHYKBFXCUPRLHG-UHFFFAOYSA-N 0 0 411.841 4.829 50 0 HJAARN CC(C)(C)c1ccc([C@]2(C)NC(=O)N(Cc3cc(-c4ccccc4)on3)C2=O)cc1 ZINC000015551672 558743559 /nfs/dbraw/zinc/74/35/59/558743559.db2.gz UAUMLOUPVHPFMX-DEOSSOPVSA-N 0 0 403.482 4.606 50 0 HJAARN O=C(COc1ccc(-c2ccccc2)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000015564965 558744228 /nfs/dbraw/zinc/74/42/28/558744228.db2.gz MHBGBIZRMABFLR-QHCPKHFHSA-N 0 0 415.489 4.867 50 0 HJAARN Cc1nnc(SCc2ccccc2)n1NC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000030937317 558744678 /nfs/dbraw/zinc/74/46/78/558744678.db2.gz UVEZETBNKSPDIT-CSKARUKUSA-N 0 0 419.337 4.969 50 0 HJAARN O=C(CSCc1nc2ccccc2[nH]1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000015589893 558745413 /nfs/dbraw/zinc/74/54/13/558745413.db2.gz CMKCDYCQNHGMCY-QGZVFWFLSA-N 0 0 408.552 4.770 50 0 HJAARN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3nc4c(s3)CCC4)cc12 ZINC000015636676 558746930 /nfs/dbraw/zinc/74/69/30/558746930.db2.gz OLWWVNMHYGTXLE-UHFFFAOYSA-N 0 0 412.515 4.791 50 0 HJAARN Cc1cc(Cl)ccc1NC(=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955230 558747005 /nfs/dbraw/zinc/74/70/05/558747005.db2.gz QNNZYZWNGLYCAH-UHFFFAOYSA-N 0 0 410.905 4.549 50 0 HJAARN Cc1ccc(C(=O)N[C@@H](C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C(C)C)cc1 ZINC000011072666 558747248 /nfs/dbraw/zinc/74/72/48/558747248.db2.gz NAXGHXVMDFCWDB-XMMPIXPASA-N 0 0 415.537 4.547 50 0 HJAARN COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)[C@@H]1Cc3ccccc31)CC2 ZINC000072296558 558749523 /nfs/dbraw/zinc/74/95/23/558749523.db2.gz ZJKYVDDBQCZGTP-XXBNENTESA-N 0 0 405.519 4.579 50 0 HJAARN Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)NCCc3ccccc3)s2)c1C ZINC000015816972 558754563 /nfs/dbraw/zinc/75/45/63/558754563.db2.gz NAYVFLQXKXNJCY-INIZCTEOSA-N 0 0 412.584 4.738 50 0 HJAARN COc1ccc(-c2nc(CNC(=O)[C@H](C)Oc3ccccc3Cl)cs2)cc1 ZINC000015832742 558755557 /nfs/dbraw/zinc/75/55/57/558755557.db2.gz UQSGIHBUTQACAR-ZDUSSCGKSA-N 0 0 402.903 4.556 50 0 HJAARN COc1ccc(-c2nc(CNC(=O)c3ccc(Br)cc3)cs2)cc1 ZINC000015832646 558755596 /nfs/dbraw/zinc/75/55/96/558755596.db2.gz TULZAUSIWMPGKN-UHFFFAOYSA-N 0 0 403.301 4.511 50 0 HJAARN O=C(CN1CCC[C@H]1c1nc(-c2ccccc2F)c[nH]1)Nc1ccc(F)cc1Cl ZINC000072305169 558757846 /nfs/dbraw/zinc/75/78/46/558757846.db2.gz LHFGDVHYBLLJGX-IBGZPJMESA-N 0 0 416.859 4.784 50 0 HJAARN CCSc1nnc2c(n1)O[C@@H](c1ccccc1C)N(C(=O)CC)c1ccc(F)cc1-2 ZINC000032997821 558758991 /nfs/dbraw/zinc/75/89/91/558758991.db2.gz MWTQVBQKRBKRIM-NRFANRHFSA-N 0 0 424.501 4.932 50 0 HJAARN COc1ccc(C(=O)Nc2cc(NC(=O)CCc3ccccc3)ccc2OC)cc1 ZINC000032998327 558759240 /nfs/dbraw/zinc/75/92/40/558759240.db2.gz OLJYEVOKXLWMDK-UHFFFAOYSA-N 0 0 404.466 4.527 50 0 biogenic HJAARN Cc1ccccc1NC(=O)c1ccc(-n2nnnc2SCc2ccc(F)cc2)cc1 ZINC000015869204 558759890 /nfs/dbraw/zinc/75/98/90/558759890.db2.gz MWVYGVGOVQEJCW-UHFFFAOYSA-N 0 0 419.485 4.654 50 0 HJAARN O=S(=O)(c1ccc(-c2cnc(C3CCCC3)o2)s1)N1CCc2ccccc2C1 ZINC000015869707 558760328 /nfs/dbraw/zinc/76/03/28/558760328.db2.gz KGSVKGDCNWHYGR-UHFFFAOYSA-N 0 0 414.552 4.808 50 0 HJAARN Cc1cccc(OCC(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2)c1C ZINC000033114945 558761114 /nfs/dbraw/zinc/76/11/14/558761114.db2.gz HPNBTMLDIIBODB-QHCPKHFHSA-N 0 0 413.477 4.638 50 0 HJAARN CC[C@H](Oc1ccc(Br)cc1Cl)C(=O)Nc1nnc(C2CC2)s1 ZINC000015919258 558761876 /nfs/dbraw/zinc/76/18/76/558761876.db2.gz JDFSXIGDDGTTLY-NSHDSACASA-N 0 0 416.728 4.628 50 0 HJAARN CC[C@@](C)(CCCNC(=O)c1cc2c(s1)-c1ccccc1OC2)C1OCCO1 ZINC000072306328 558765638 /nfs/dbraw/zinc/76/56/38/558765638.db2.gz XIVXVMUECZJVQS-QFIPXVFZSA-N 0 0 401.528 4.607 50 0 HJAARN O=C(C[C@@H]([NH2+]CCC1=CCCCC1)C(=O)[O-])Nc1ccc(Oc2ccccc2)cc1 ZINC000033475213 558769128 /nfs/dbraw/zinc/76/91/28/558769128.db2.gz INSQLYCAADIDTE-JOCHJYFZSA-N 0 0 408.498 4.741 50 0 HJAARN COc1cccc(-c2nc(COC(=O)CCn3ccc4ccccc43)cs2)c1OC ZINC000016118358 558772680 /nfs/dbraw/zinc/77/26/80/558772680.db2.gz PPAZCUXBXMSTLU-UHFFFAOYSA-N 0 0 422.506 4.916 50 0 HJAARN COc1ccc(CC(=O)Nc2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)cc1 ZINC000002849379 558773913 /nfs/dbraw/zinc/77/39/13/558773913.db2.gz QPQYTHLIZLNZFY-UHFFFAOYSA-N 0 0 403.413 4.733 50 0 HJAARN O=C(NCc1ccc(F)cc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2 ZINC000000865746 558774531 /nfs/dbraw/zinc/77/45/31/558774531.db2.gz KDVRMXOVKQZPNR-CZUORRHYSA-N 0 0 424.423 4.674 50 0 HJAARN CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(CC)cc4)nc3cc2C)cc1 ZINC000016162121 558774756 /nfs/dbraw/zinc/77/47/56/558774756.db2.gz GCARVTCLMFEESQ-UHFFFAOYSA-N 0 0 400.482 4.942 50 0 HJAARN CCCn1nc(C(=O)N2CCCCC[C@H]2c2ccc(OC)cc2)c2ccccc2c1=O ZINC000016176150 558775289 /nfs/dbraw/zinc/77/52/89/558775289.db2.gz YJKRULPQSKHVGJ-QFIPXVFZSA-N 0 0 419.525 4.573 50 0 HJAARN Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)c1ccc(F)cc1F ZINC000004585526 558780311 /nfs/dbraw/zinc/78/03/11/558780311.db2.gz YSNHNKBKYHQXAJ-UHFFFAOYSA-N 0 0 405.404 4.533 50 0 HJAARN CCSc1cccc(C(=O)N2CCN(c3nc4ccc(F)cc4s3)CC2)c1 ZINC000004585803 558781126 /nfs/dbraw/zinc/78/11/26/558781126.db2.gz SSUPKMVAVQYGHI-UHFFFAOYSA-N 0 0 401.532 4.510 50 0 HJAARN Cc1cccc(Cl)c1NC(=O)CN1C(=O)C(c2ccccc2)=NC12CCC(C)CC2 ZINC000071327921 558783562 /nfs/dbraw/zinc/78/35/62/558783562.db2.gz VEILTTDUYNPKSI-UHFFFAOYSA-N 0 0 423.944 4.825 50 0 HJAARN CC(=O)Nc1ccc2nc(NC(=O)COc3ccc(Cl)cc3Cl)sc2c1 ZINC000016321419 558786246 /nfs/dbraw/zinc/78/62/46/558786246.db2.gz NMDUUMHKJMODPM-UHFFFAOYSA-N 0 0 410.282 4.579 50 0 HJAARN COc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)ccc1OCc1ccccc1 ZINC000004588083 558786769 /nfs/dbraw/zinc/78/67/69/558786769.db2.gz CUCRGDYYXKRZHK-NDENLUEZSA-N 0 0 403.409 4.758 50 0 HJAARN CCOc1ccccc1NC(=S)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000016347237 558787130 /nfs/dbraw/zinc/78/71/30/558787130.db2.gz RTKSBDSXQJZXSS-UHFFFAOYSA-N 0 0 424.397 4.907 50 0 HJAARN CCOC(=O)C1CCC(CNC(=O)N2CCCCC[C@H]2c2cccc(C)c2)CC1 ZINC000035561802 558793622 /nfs/dbraw/zinc/79/36/22/558793622.db2.gz BCQBFLLMKZXZAC-AOMIVXANSA-N 0 0 400.563 4.991 50 0 HJAARN COc1ccc(N(Cc2ccccc2OC)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000036246490 558798503 /nfs/dbraw/zinc/79/85/03/558798503.db2.gz GTFVCFACCHQZKV-UHFFFAOYSA-N 0 0 417.914 4.753 50 0 HJAARN O=C(Cc1ccc(OC(F)F)cc1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 ZINC000016694391 558800525 /nfs/dbraw/zinc/80/05/25/558800525.db2.gz UUHZOMHYSDQWQK-NRFANRHFSA-N 0 0 421.447 4.807 50 0 HJAARN CC(C)CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 ZINC000032983464 558804577 /nfs/dbraw/zinc/80/45/77/558804577.db2.gz FIMDGSGECCBHMV-UHFFFAOYSA-N 0 0 418.419 4.963 50 0 HJAARN COc1ccccc1/C=C1\Oc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2NC1=O ZINC000032983691 558805202 /nfs/dbraw/zinc/80/52/02/558805202.db2.gz ZRRQHZYGHWIZRN-AJIWAEEYSA-N 0 0 414.461 4.558 50 0 HJAARN Cc1cccc(NC(=O)c2c(-c3ccc(Cl)cc3)noc2N2CCOCC2)c1C ZINC000032985103 558805534 /nfs/dbraw/zinc/80/55/34/558805534.db2.gz NYXPACUGERUZGG-UHFFFAOYSA-N 0 0 411.889 4.701 50 0 HJAARN CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)C2=COCCO2)cc1 ZINC000032986059 558806382 /nfs/dbraw/zinc/80/63/82/558806382.db2.gz OXJSLTWEVJJIKA-UHFFFAOYSA-N 0 0 409.360 4.723 50 0 HJAARN O=S1(=O)c2ccccc2N[C@@H](c2cccc(F)c2)N1CCc1ccc(Cl)cc1 ZINC000032986953 558806953 /nfs/dbraw/zinc/80/69/53/558806953.db2.gz DLHGPMJZPZWUSX-OAQYLSRUSA-N 0 0 416.905 4.837 50 0 HJAARN O=C1c2cccc3cccc(c32)C(=O)N1CCCSc1nnc(-c2cccs2)o1 ZINC000016789942 558807205 /nfs/dbraw/zinc/80/72/05/558807205.db2.gz BFWOKTYEGHZPFP-UHFFFAOYSA-N 0 0 421.503 4.730 50 0 HJAARN CSCc1c2ccccc2oc1C(=O)NC[C@H](c1ccccc1Cl)N(C)C ZINC000032988558 558808200 /nfs/dbraw/zinc/80/82/00/558808200.db2.gz BHNVWVDLHFPESI-GOSISDBHSA-N 0 0 402.947 4.982 50 0 HJAARN Cc1cccc(C)c1NC(=O)CSc1nccn2nc(-c3ccc(F)cc3)cc12 ZINC000016841466 558808214 /nfs/dbraw/zinc/80/82/14/558808214.db2.gz LLEOHUWTRGWLKK-UHFFFAOYSA-N 0 0 406.486 4.883 50 0 HJAARN Cc1ccc(NC(=O)CN(C)C(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 ZINC000032988925 558808330 /nfs/dbraw/zinc/80/83/30/558808330.db2.gz DTYSSMCNKZHZNU-HSZRJFAPSA-N 0 0 404.535 4.926 50 0 HJAARN COc1ccccc1-c1cc2c(SCC(=O)Nc3c(C)cccc3C)nccn2n1 ZINC000016842101 558808342 /nfs/dbraw/zinc/80/83/42/558808342.db2.gz VUZJBACRDYGIBN-UHFFFAOYSA-N 0 0 418.522 4.753 50 0 HJAARN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC000013494987 558808462 /nfs/dbraw/zinc/80/84/62/558808462.db2.gz MNRAJBYQDYHTFM-CYBMUJFWSA-N 0 0 419.934 4.727 50 0 HJAARN Cc1ccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccccc3)n2)cc1 ZINC000016846395 558808580 /nfs/dbraw/zinc/80/85/80/558808580.db2.gz VAPWPYIMAQXOTA-UHFFFAOYSA-N 0 0 411.508 4.599 50 0 HJAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)cc3C)C2)c2ccccc12 ZINC000016884434 558808743 /nfs/dbraw/zinc/80/87/43/558808743.db2.gz JIPKGYUQNNHPQW-QGZVFWFLSA-N 0 0 420.484 4.787 50 0 HJAARN Cc1cccc(C)c1OC[C@H](O)Cn1c(COc2ccccc2)nc2ccccc21 ZINC000016903155 558809054 /nfs/dbraw/zinc/80/90/54/558809054.db2.gz JNKIDKMSQGTALD-HXUWFJFHSA-N 0 0 402.494 4.672 50 0 HJAARN CCc1c(C)nc2ncnn2c1Sc1ccccc1NC(=O)c1cccc(C)c1 ZINC000032995752 558810080 /nfs/dbraw/zinc/81/00/80/558810080.db2.gz BDJLJCYSUMNAAW-UHFFFAOYSA-N 0 0 403.511 4.707 50 0 HJAARN O=C(CCc1nc(-c2ccsc2)no1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000016963914 558810672 /nfs/dbraw/zinc/81/06/72/558810672.db2.gz DANALHXBTHKJEL-NRFANRHFSA-N 0 0 421.547 4.967 50 0 HJAARN Cc1cccc(C)c1NC(=O)Cn1cnc2c(-c3ccc(F)cc3)csc2c1=O ZINC000038486539 558811415 /nfs/dbraw/zinc/81/14/15/558811415.db2.gz PSHZHJSIQLIRBO-UHFFFAOYSA-N 0 0 407.470 4.520 50 0 HJAARN CC(=O)c1ccc(NC(=O)CSc2nccn3nc(-c4ccc(C)cc4)cc23)cc1 ZINC000017051585 558813093 /nfs/dbraw/zinc/81/30/93/558813093.db2.gz LVKQMYXZYLPLGZ-UHFFFAOYSA-N 0 0 416.506 4.638 50 0 HJAARN Cc1ccc(-c2csc3c2ncn(CC(=O)Nc2ccc(F)cc2C)c3=O)cc1 ZINC000038651695 558813315 /nfs/dbraw/zinc/81/33/15/558813315.db2.gz KMMMUJUHGOOHKC-UHFFFAOYSA-N 0 0 407.470 4.520 50 0 HJAARN Cc1nn(C(C)C)c2nc(C)cc(C(=O)Nc3ccc(Br)cc3F)c12 ZINC000017083125 558815582 /nfs/dbraw/zinc/81/55/82/558815582.db2.gz MFQCENPNATUTHK-UHFFFAOYSA-N 0 0 405.271 4.783 50 0 HJAARN C[C@H](NC(=S)N1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccccc1 ZINC000017087870 558816791 /nfs/dbraw/zinc/81/67/91/558816791.db2.gz PLPZJDHCFNECTD-HNNXBMFYSA-N 0 0 408.398 4.747 50 0 HJAARN Cc1ccc(-c2csc(NC(=O)CSc3nnc(C4CCCC4)n3C)n2)cc1 ZINC000017089683 558818273 /nfs/dbraw/zinc/81/82/73/558818273.db2.gz OSYIRFWTMWTNQL-UHFFFAOYSA-N 0 0 413.572 4.635 50 0 HJAARN CCCCn1nc(C)c2c1nc(C)cc2C(=O)Nc1cc(C)n(Cc2ccccc2)n1 ZINC000017090727 558819440 /nfs/dbraw/zinc/81/94/40/558819440.db2.gz DFQZNNPXQNRWFU-UHFFFAOYSA-N 0 0 416.529 4.654 50 0 HJAARN CCc1cc(C(=O)NC[C@@H]2CCC[C@H](CNC(=O)c3csc(CC)c3)C2)cs1 ZINC000017091642 558820115 /nfs/dbraw/zinc/82/01/15/558820115.db2.gz ONULHSRVKMKOGU-IYBDPMFKSA-N 0 0 418.628 4.901 50 0 HJAARN Cc1ccc(S(=O)(=O)N2[C@H](C(=O)c3ccccc3)[C@@H]2c2ccccc2Cl)cc1 ZINC000017154373 558824237 /nfs/dbraw/zinc/82/42/37/558824237.db2.gz FMGFBRMSSVEZEI-GAIPOIILSA-N 0 0 411.910 4.646 50 0 HJAARN Cc1c(/N=c2\scc(C(C)(C)C)n2-c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000017201376 558825684 /nfs/dbraw/zinc/82/56/84/558825684.db2.gz NUKPMVKKOCBTMW-BZZOAKBMSA-N 0 0 418.566 4.867 50 0 HJAARN CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3OC)sc2c1 ZINC000033000702 558826640 /nfs/dbraw/zinc/82/66/40/558826640.db2.gz NAHDNSVNLYQKGL-UHFFFAOYSA-N 0 0 415.540 4.774 50 0 HJAARN Cc1ccc(NC(=O)CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1C ZINC000033326024 558829066 /nfs/dbraw/zinc/82/90/66/558829066.db2.gz MYICWKPRIDLERX-IBGZPJMESA-N 0 0 407.539 4.996 50 0 HJAARN CCC[C@H]1CCc2nc(NC(=O)c3cccc(NC(=O)c4cccnc4)c3)sc2C1 ZINC000060309352 558830099 /nfs/dbraw/zinc/83/00/99/558830099.db2.gz MYAVNKZCLGHSAQ-HNNXBMFYSA-N 0 0 420.538 4.948 50 0 HJAARN O=c1[nH]c(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)nc2c1CCCC2 ZINC000018154194 558832276 /nfs/dbraw/zinc/83/22/76/558832276.db2.gz YCPBRTGHLFOWRB-UHFFFAOYSA-N 0 0 403.873 4.656 50 0 HJAARN COc1cc(OC)cc(C(=O)Nc2cccc(-c3nc(-c4ccccc4)no3)c2)c1 ZINC000033012719 558832557 /nfs/dbraw/zinc/83/25/57/558832557.db2.gz DXYLCKSRYGSWGH-UHFFFAOYSA-N 0 0 401.422 4.673 50 0 HJAARN Cc1nc(Nc2nc(C)c(Cc3cccc4ccccc43)c(=O)[nH]2)nc2ccccc12 ZINC000018266768 558835093 /nfs/dbraw/zinc/83/50/93/558835093.db2.gz BNUQZGZIOSTEBA-UHFFFAOYSA-N 0 0 407.477 4.818 50 0 HJAARN Cc1c(/N=C/C=C2/C=C(c3ccccc3)OC(C)(C)O2)c(=O)n(-c2ccccc2)n1C ZINC000001094570 558835929 /nfs/dbraw/zinc/83/59/29/558835929.db2.gz ONWSOSIUXMETCZ-LMZSMFKYSA-N 0 0 415.493 4.895 50 0 HJAARN CCN(CC)c1ccc(/C=C2/S/C(=N\c3ccccc3)N(N(C)C)C2=O)c(OC)c1 ZINC000001023381 558835935 /nfs/dbraw/zinc/83/59/35/558835935.db2.gz XMNRMRJQUJHSBH-NVZLDUMVSA-N 0 0 424.570 4.622 50 0 HJAARN COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001010189 558836154 /nfs/dbraw/zinc/83/61/54/558836154.db2.gz HIUVDYFSTPOZTM-HXUWFJFHSA-N 0 0 403.478 4.505 50 0 HJAARN CCN([C@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000072313056 558838218 /nfs/dbraw/zinc/83/82/18/558838218.db2.gz LLEBHCSZOKNOGP-HXUWFJFHSA-N 0 0 415.946 4.547 50 0 HJAARN Cc1ccccc1-c1nc2nc(C)c(CC(=O)Nc3cccc(Cl)c3)c(C)n2n1 ZINC000046023851 558839196 /nfs/dbraw/zinc/83/91/96/558839196.db2.gz AFPPTZMPQDIPEX-UHFFFAOYSA-N 0 0 405.889 4.551 50 0 HJAARN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC(C)C)C(=O)C(C)C)s1 ZINC000004606836 558847771 /nfs/dbraw/zinc/84/77/71/558847771.db2.gz RRZWKZDMNIOKLI-UHFFFAOYSA-N 0 0 418.578 4.865 50 0 HJAARN CC(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccc(F)cc2)OC3=O)cc1 ZINC000033026904 558847964 /nfs/dbraw/zinc/84/79/64/558847964.db2.gz JFTZAMVASSLGJJ-QFIPXVFZSA-N 0 0 403.409 4.735 50 0 HJAARN O=C(Cc1csc(SCC(=O)c2cccs2)n1)NCc1ccccc1Cl ZINC000013654028 558851085 /nfs/dbraw/zinc/85/10/85/558851085.db2.gz QPJBEORAQLEWBL-UHFFFAOYSA-N 0 0 422.984 4.692 50 0 HJAARN CC(C)n1ncc(C(=O)N[C@H](C)COc2ccccc2C(F)(F)F)c1C(F)(F)F ZINC000060337281 558851830 /nfs/dbraw/zinc/85/18/30/558851830.db2.gz XRHPHVBABJWCFY-LLVKDONJSA-N 0 0 423.357 4.699 50 0 HJAARN Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 ZINC000013708233 558858144 /nfs/dbraw/zinc/85/81/44/558858144.db2.gz LAJVLLRDEPZAMG-UHFFFAOYSA-N 0 0 421.859 4.668 50 0 HJAARN CCc1cccc(NC(=O)C2CCN(c3ncccc3-n3c(C)ccc3C)CC2)c1 ZINC000033034514 558858681 /nfs/dbraw/zinc/85/86/81/558858681.db2.gz FEPAZUXMMGGUDP-UHFFFAOYSA-N 0 0 402.542 4.907 50 0 HJAARN CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)N2CCCC[C@H]2C)cc1 ZINC000033037045 558861211 /nfs/dbraw/zinc/86/12/11/558861211.db2.gz FTIDMTKEZLBEIN-QGZVFWFLSA-N 0 0 416.525 4.821 50 0 HJAARN Cc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3cccc(Cl)c3)C2=O)c(C)c1 ZINC000068713061 558864359 /nfs/dbraw/zinc/86/43/59/558864359.db2.gz LFSYDGIIKPPUAK-RUZDIDTESA-N 0 0 419.908 4.964 50 0 HJAARN CCCOc1ccc(CNC(=O)c2c[nH]nc2-c2cccc(Br)c2)cc1 ZINC000072329050 558864415 /nfs/dbraw/zinc/86/44/15/558864415.db2.gz OVIOHFNZZUCTQD-UHFFFAOYSA-N 0 0 414.303 4.558 50 0 HJAARN CCOc1ccc(-c2cc3c(=O)n(Cc4cccc(Cl)c4)ccn3n2)cc1Cl ZINC000072329621 558865151 /nfs/dbraw/zinc/86/51/51/558865151.db2.gz KFPJTNOVKAYYNQ-UHFFFAOYSA-N 0 0 414.292 4.917 50 0 HJAARN COc1ccccc1NC(=O)CCCc1nc2cccnc2n1Cc1ccc(F)cc1 ZINC000033072894 558867202 /nfs/dbraw/zinc/86/72/02/558867202.db2.gz YAORVLIICOSFKS-UHFFFAOYSA-N 0 0 418.472 4.589 50 0 HJAARN CCCCOc1ccccc1-c1cc(C(=O)N2CCN(c3ccc(C)cc3)CC2)[nH]n1 ZINC000072331273 558867504 /nfs/dbraw/zinc/86/75/04/558867504.db2.gz RQFCAJXXPVUXIO-UHFFFAOYSA-N 0 0 418.541 4.526 50 0 HJAARN COc1cc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)ccc1OC(C)=O ZINC000019324088 558867534 /nfs/dbraw/zinc/86/75/34/558867534.db2.gz BSBGOWMYFJSQAO-UHFFFAOYSA-N 0 0 416.521 4.637 50 0 biogenic HJAARN CC(=O)N[C@H](CC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1)c1cccs1 ZINC000011150275 558868384 /nfs/dbraw/zinc/86/83/84/558868384.db2.gz ILUMZAJRBDHADF-OAHLLOKOSA-N 0 0 403.504 4.525 50 0 HJAARN Cc1oc(-c2ccccc2Cl)nc1CN(Cc1ccccc1)C[C@@H]1CCC(=O)N1 ZINC000055036224 558870224 /nfs/dbraw/zinc/87/02/24/558870224.db2.gz BWSXBXJPUSBACX-SFHVURJKSA-N 0 0 409.917 4.584 50 0 HJAARN Cc1ccsc1CN1CCOc2ccc([C@](C)(O)COc3ccccc3)cc2C1 ZINC000055042048 558870467 /nfs/dbraw/zinc/87/04/67/558870467.db2.gz VASUIZDZYKJUFW-XMMPIXPASA-N 0 0 409.551 4.738 50 0 HJAARN COc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccccc2OC)c1 ZINC000004657704 558871978 /nfs/dbraw/zinc/87/19/78/558871978.db2.gz SORGDOSIDVFDNE-LCUIJRPUSA-N 0 0 400.434 4.935 50 0 HJAARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3c(=O)c4ccccc4[nH]c3=S)cc2)[C@@H]1C ZINC000004658000 558872120 /nfs/dbraw/zinc/87/21/20/558872120.db2.gz VNNQKMKIWJSKDE-SPYBWZPUSA-N 0 0 407.539 4.603 50 0 HJAARN Cc1ccc(NC(=O)c2nnc([C@@H]3CCCN(C(=O)Nc4ccccc4)C3)s2)cc1 ZINC000033113281 558875273 /nfs/dbraw/zinc/87/52/73/558875273.db2.gz YSHDTLLHZYBCBM-MRXNPFEDSA-N 0 0 421.526 4.510 50 0 HJAARN Cc1ccc(CNC(=O)CC2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1 ZINC000033113908 558875700 /nfs/dbraw/zinc/87/57/00/558875700.db2.gz QQHPCMMPZXRZMD-UHFFFAOYSA-N 0 0 423.944 4.688 50 0 HJAARN CCc1ccc(-c2nc(C[S@](=O)CC(=O)NC3CCCCCCC3)c(C)o2)cc1 ZINC000004668475 558876656 /nfs/dbraw/zinc/87/66/56/558876656.db2.gz WTLCJVBNMGSZMV-GDLZYMKVSA-N 0 0 416.587 4.690 50 0 HJAARN CC(=O)N1CCC(N(CCCOC(C)C)C(=S)Nc2ccc(C(C)C)cc2)CC1 ZINC000004669273 558877206 /nfs/dbraw/zinc/87/72/06/558877206.db2.gz YFWJOAXQILYMOW-UHFFFAOYSA-N 0 0 419.635 4.635 50 0 HJAARN Cc1c([C@H](C)NCc2cnc(-c3cccc(C)c3)nc2)cnn1-c1cccc(F)c1 ZINC000055244544 558877253 /nfs/dbraw/zinc/87/72/53/558877253.db2.gz NSGZWUXKHFGDIZ-KRWDZBQOSA-N 0 0 401.489 4.936 50 0 HJAARN COc1ccccc1CN(Cc1cccnc1)Cc1coc2ccc(C)cc2c1=O ZINC000055252809 558877520 /nfs/dbraw/zinc/87/75/20/558877520.db2.gz DMCRBFYHXUFTRG-UHFFFAOYSA-N 0 0 400.478 4.707 50 0 HJAARN CSc1nnc(CN(C)Cc2ccc(-c3ccccc3C)cc2)n1C[C@H]1CCCO1 ZINC000055309014 558878794 /nfs/dbraw/zinc/87/87/94/558878794.db2.gz JHQZRLKBTGJZKD-OAQYLSRUSA-N 0 0 422.598 4.786 50 0 HJAARN CCCc1c(C)nc2ncnn2c1Sc1ccc(NC(=O)c2ccccc2)cc1 ZINC000033122031 558878813 /nfs/dbraw/zinc/87/88/13/558878813.db2.gz CIHQVCXVUTYHQC-UHFFFAOYSA-N 0 0 403.511 4.789 50 0 HJAARN CCc1cc(Sc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)n2ncnc2n1 ZINC000033122218 558878959 /nfs/dbraw/zinc/87/89/59/558878959.db2.gz QNTXYIWAJHDFEL-UHFFFAOYSA-N 0 0 408.462 4.621 50 0 HJAARN Cc1cc(Sc2ccc(NC(=O)Nc3ccc(C)c(F)c3)cc2)n2ncnc2n1 ZINC000033122098 558879012 /nfs/dbraw/zinc/87/90/12/558879012.db2.gz UGBZZODHFRUOPH-UHFFFAOYSA-N 0 0 408.462 4.675 50 0 HJAARN COc1ccc(-n2cc(CN(C)[C@H](C)c3ccncn3)c(-c3cccc(F)c3)n2)cc1 ZINC000055358233 558880003 /nfs/dbraw/zinc/88/00/03/558880003.db2.gz FWCRHJYCKFZIAA-QGZVFWFLSA-N 0 0 417.488 4.670 50 0 HJAARN O=C(Nc1cccc(Cl)c1)N[C@H](C(=O)N1CCc2ccccc21)c1ccccc1 ZINC000033127812 558881132 /nfs/dbraw/zinc/88/11/32/558881132.db2.gz JOLFDKKMPVUJRY-NRFANRHFSA-N 0 0 405.885 4.792 50 0 HJAARN COc1cccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(C)cc2)CC3)c1 ZINC000033128645 558882472 /nfs/dbraw/zinc/88/24/72/558882472.db2.gz JQBMZSDGZXZSPJ-UHFFFAOYSA-N 0 0 401.466 4.851 50 0 HJAARN O=C(NCCC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)c1ccccc1F ZINC000033125890 558883813 /nfs/dbraw/zinc/88/38/13/558883813.db2.gz YJQSKBAQALTCDD-UHFFFAOYSA-N 0 0 403.885 4.543 50 0 HJAARN Cc1ccc(C[N@H+](Cc2cc(=O)n3[n-]c(-c4cccc(C)c4)cc3n2)CC(C)C)cc1 ZINC000033126276 558884012 /nfs/dbraw/zinc/88/40/12/558884012.db2.gz SKBOMHAGPVVFPM-UHFFFAOYSA-N 0 0 414.553 4.965 50 0 HJAARN Cc1ccc(NC(=O)c2cc3c(n(-c4ccc(F)cc4)c2=O)CCCC3=O)cc1Cl ZINC000033126647 558884257 /nfs/dbraw/zinc/88/42/57/558884257.db2.gz RKGCRZXGQRJXJE-UHFFFAOYSA-N 0 0 424.859 4.710 50 0 HJAARN Cc1ccc(CN(C(=S)NCC(=O)N[C@H]2CCCC[C@@H]2C)C2CCCCC2)cc1 ZINC000004672749 558884765 /nfs/dbraw/zinc/88/47/65/558884765.db2.gz WIWJFMOCGUPIBP-UGKGYDQZSA-N 0 0 415.647 4.699 50 0 HJAARN CC(=O)c1ccc(NC(=O)c2cccc(-c3nc(-c4cccc(F)c4)no3)c2)cc1 ZINC000033129641 558885467 /nfs/dbraw/zinc/88/54/67/558885467.db2.gz ZDGHGBHQBQIKGS-UHFFFAOYSA-N 0 0 401.397 4.998 50 0 HJAARN Cc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(Cc3ccccc3Cl)C2=O)c(C)c1 ZINC000004672245 558886161 /nfs/dbraw/zinc/88/61/61/558886161.db2.gz CDXRNRLTWWNMFS-RUZDIDTESA-N 0 0 419.908 4.964 50 0 HJAARN O=C(Nc1cc(F)ccc1F)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O ZINC000015004650 558888049 /nfs/dbraw/zinc/88/80/49/558888049.db2.gz OZYVCUVSZIZSJP-UHFFFAOYSA-N 0 0 412.779 4.671 50 0 HJAARN COc1ccc(Nc2nc(C(=O)OCC(=O)c3ccc(Cl)cc3)cs2)cc1 ZINC000004676671 558888805 /nfs/dbraw/zinc/88/88/05/558888805.db2.gz MHUJIUURLSHKIS-UHFFFAOYSA-N 0 0 402.859 4.588 50 0 HJAARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCOc1ccccc1-c1ccccc1 ZINC000057992827 558893202 /nfs/dbraw/zinc/89/32/02/558893202.db2.gz HZAANXOKEDJEPZ-UHFFFAOYSA-N 0 0 411.505 4.967 50 0 HJAARN C[C@H](OC[C@H]1CCCO1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000057994970 558893358 /nfs/dbraw/zinc/89/33/58/558893358.db2.gz MYRNJIQMNYQWDR-WCQYABFASA-N 0 0 415.342 4.563 50 0 HJAARN CCCOc1ccc(NC(=O)COCC(=O)N(c2ccccc2)c2ccccc2)cc1 ZINC000004680816 558894069 /nfs/dbraw/zinc/89/40/69/558894069.db2.gz VUSWWDUFBWTFHS-UHFFFAOYSA-N 0 0 418.493 4.795 50 0 HJAARN C[C@H]1C[C@H](C)CN(C(=O)CCC(=O)Nc2ccc(OCCc3ccccc3)cc2)C1 ZINC000004682595 558894541 /nfs/dbraw/zinc/89/45/41/558894541.db2.gz NCNMSXIWNRRYJL-PMACEKPBSA-N 0 0 408.542 4.531 50 0 HJAARN Cc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)s2)o1 ZINC000033162962 558896241 /nfs/dbraw/zinc/89/62/41/558896241.db2.gz SFWJMGPQPSHNIX-MRXNPFEDSA-N 0 0 409.511 4.511 50 0 HJAARN Cc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)s2)o1 ZINC000033162964 558896549 /nfs/dbraw/zinc/89/65/49/558896549.db2.gz SFWJMGPQPSHNIX-INIZCTEOSA-N 0 0 409.511 4.511 50 0 HJAARN O=C(CSc1ncnc2c3cc(F)ccc3[nH]c21)Nc1ccc(C(F)(F)F)cc1 ZINC000033172717 558901166 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C[C@H]1CCN(C(=O)COC(=O)c2[nH]c3ccccc3c2Cl)c2ccccc2S1 ZINC000058195682 558910956 /nfs/dbraw/zinc/91/09/56/558910956.db2.gz VYOJMLNRMKBAOK-ZDUSSCGKSA-N 0 0 414.914 4.896 50 0 HJAARN CC(C)c1nc2cc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccco3)ccc2o1 ZINC000033216461 558912329 /nfs/dbraw/zinc/91/23/29/558912329.db2.gz GIWNCBRJVDTJTB-LJQANCHMSA-N 0 0 417.465 4.524 50 0 HJAARN O=C(CN1C(=S)N=NC1c1cccs1)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000058244868 558914319 /nfs/dbraw/zinc/91/43/19/558914319.db2.gz LHFQEIPBKXKJLY-UHFFFAOYSA-N 0 0 418.975 4.534 50 0 HJAARN Cc1ccc(NC(=O)COCC(=O)N(c2ccccc2)c2ccccc2)cc1Cl ZINC000004715634 558914685 /nfs/dbraw/zinc/91/46/85/558914685.db2.gz SHNRTRJQVSPNFZ-UHFFFAOYSA-N 0 0 408.885 4.968 50 0 HJAARN COc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1OC ZINC000004715795 558915113 /nfs/dbraw/zinc/91/51/13/558915113.db2.gz ONKAVSVXAXMCIG-MHECFPHRSA-N 0 0 420.465 4.856 50 0 HJAARN CCOc1cccc2c1OCC(C(=O)Nc1ccc(-c3nc(C(C)C)no3)cc1)=C2 ZINC000058263994 558915285 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COc1ccc(CCNc2nc3c(C)cccc3cc2-c2noc(C)n2)cc1OC ZINC000033331613 559062508 /nfs/dbraw/zinc/06/25/08/559062508.db2.gz YXOILPPPCCSALH-UHFFFAOYSA-N 0 0 404.470 4.573 50 0 HJAARN O=C(NCCc1ccc(Br)s1)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000011381515 559069778 /nfs/dbraw/zinc/06/97/78/559069778.db2.gz JWGWDZJBTIMMMT-UHFFFAOYSA-N 0 0 412.308 4.695 50 0 HJAARN CCOC(=O)CC1CCC(c2ccc(C3=Nc4c(N)ncnc4OC3(C)C)cc2)CC1 ZINC000091297500 559070961 /nfs/dbraw/zinc/07/09/61/559070961.db2.gz IOWHICQEHISTTR-UHFFFAOYSA-N 0 0 422.529 4.578 50 0 HJAARN O=C(c1ccc(-c2cc[nH]n2)cc1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000092038544 559075326 /nfs/dbraw/zinc/07/53/26/559075326.db2.gz JXWIRNSFSVBDGQ-IBGZPJMESA-N 0 0 402.281 4.597 50 0 HJAARN O=C(Nc1cccc(I)c1)c1occc1COc1ccccc1 ZINC000011430368 559075920 /nfs/dbraw/zinc/07/59/20/559075920.db2.gz UDERDOUJSVWWMO-UHFFFAOYSA-N 0 0 419.218 4.716 50 0 HJAARN COc1ccccc1-c1nc(Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cs1 ZINC000011450864 559076746 /nfs/dbraw/zinc/07/67/46/559076746.db2.gz ARZFJKPATFKBFI-UHFFFAOYSA-N 0 0 417.416 4.539 50 0 HJAARN CC(C)(C)c1ccc(OC(=O)c2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)cc1 ZINC000095396976 559081015 /nfs/dbraw/zinc/08/10/15/559081015.db2.gz GNLCHJHSIYMFMX-SFTDATJTSA-N 0 0 405.494 4.883 50 0 HJAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@H]1CCCN(c2nccs2)C1 ZINC000095516553 559084633 /nfs/dbraw/zinc/08/46/33/559084633.db2.gz QIVKWCYLYLIOEH-INIZCTEOSA-N 0 0 403.511 4.542 50 0 HJAARN O=S(=O)(Nc1ccccc1Cl)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072874 559126479 /nfs/dbraw/zinc/12/64/79/559126479.db2.gz NLBRMXBHYFRXAJ-UHFFFAOYSA-N 0 0 414.630 4.922 50 0 HJAARN Cc1occc1-c1nnc(SCC(=O)N(Cc2ccccc2)c2ccccc2)o1 ZINC000011595936 559113470 /nfs/dbraw/zinc/11/34/70/559113470.db2.gz OLZQJUDPRDTOGJ-UHFFFAOYSA-N 0 0 405.479 4.964 50 0 HJAARN COc1ccccc1[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2ccccc2)c2ncnn21 ZINC000004816912 559114931 /nfs/dbraw/zinc/11/49/31/559114931.db2.gz JOWJCHUXLVORPK-FCHUYYIVSA-N 0 0 410.477 4.668 50 0 HJAARN COc1ccccc1[C@H]1C[C@@H](c2ccc(C)cc2)N(C(=O)C(C)(C)C)c2ncnn21 ZINC000004816949 559114997 /nfs/dbraw/zinc/11/49/97/559114997.db2.gz PLCBKNKJQCBAOZ-VQTJNVASSA-N 0 0 404.514 4.709 50 0 HJAARN O=C(CNc1cc(Cl)ccc1N1CCCC1)Nc1ccccc1Br ZINC000011620766 559115621 /nfs/dbraw/zinc/11/56/21/559115621.db2.gz IOYDMDBJGJFUEA-UHFFFAOYSA-N 0 0 408.727 4.753 50 0 HJAARN Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)c3ccc(Cl)nc3)CC2)cc1 ZINC000023317753 559117585 /nfs/dbraw/zinc/11/75/85/559117585.db2.gz JWUPBBFJKBPNEY-QHCPKHFHSA-N 0 0 405.929 4.591 50 0 HJAARN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cc1ccccc1Cl ZINC000011649633 559119170 /nfs/dbraw/zinc/11/91/70/559119170.db2.gz WVCNWEGGAAQXSY-UHFFFAOYSA-N 0 0 424.884 4.791 50 0 HJAARN C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)n1nc(C(F)(F)F)c(Br)c1C1CC1 ZINC000017092893 559122722 /nfs/dbraw/zinc/12/27/22/559122722.db2.gz YANHPWOAIVBODE-GMTAPVOTSA-N 0 0 422.289 4.892 50 0 HJAARN O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072749 559126375 /nfs/dbraw/zinc/12/63/75/559126375.db2.gz SCCYVZWIJSLLIQ-UHFFFAOYSA-N 0 0 414.630 4.922 50 0 HJAARN Cc1ccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c(C)c1 ZINC000098072979 559126611 /nfs/dbraw/zinc/12/66/11/559126611.db2.gz WWHKRLBNCOZVHJ-UHFFFAOYSA-N 0 0 408.239 4.886 50 0 HJAARN COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccc(C)cc3C)n2)cc1F ZINC000098211449 559127374 /nfs/dbraw/zinc/12/73/74/559127374.db2.gz YFRPFNMKAUHEAU-UHFFFAOYSA-N 0 0 420.444 4.608 50 0 HJAARN O=C(NC1CCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1)c1cccc2[nH]ccc21 ZINC000098212662 559127832 /nfs/dbraw/zinc/12/78/32/559127832.db2.gz AFYJWNAAPDFCKV-UHFFFAOYSA-N 0 0 419.916 4.610 50 0 HJAARN O=C(NC1CCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1)c1ccc2[nH]ccc2c1 ZINC000098212886 559128144 /nfs/dbraw/zinc/12/81/44/559128144.db2.gz FBFFCGQNVSVNKJ-UHFFFAOYSA-N 0 0 419.916 4.610 50 0 HJAARN Cc1ccc(S(=O)(=O)N=[S@@](=O)(c2ccccc2)[C@H](F)c2ccccc2)cc1 ZINC000100117560 559130005 /nfs/dbraw/zinc/13/00/05/559130005.db2.gz ZAGQEXRRSCLLFW-RXFWQSSRSA-N 0 0 403.500 4.879 50 0 HJAARN Cc1ccc(S(=O)(=O)N=[S@](=O)(c2ccc(C)cc2)N(C)c2ccccc2)cc1 ZINC000100819494 559141062 /nfs/dbraw/zinc/14/10/62/559141062.db2.gz DYTKTQTZNDOQFH-HHHXNRCGSA-N 0 0 414.552 4.571 50 0 HJAARN O=C(c1ccc(F)cc1F)N1CCN([C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023323097 559143509 /nfs/dbraw/zinc/14/35/09/559143509.db2.gz LEUGQMLIAPNJME-HSZRJFAPSA-N 0 0 410.439 4.651 50 0 HJAARN CN(Cc1ccccc1Br)N1c2ccccc2[C@H](c2ccccc2)C1=O ZINC000101173536 559143813 /nfs/dbraw/zinc/14/38/13/559143813.db2.gz PPHIZVUJBBBILU-NRFANRHFSA-N 0 0 407.311 4.975 50 0 HJAARN Cc1noc(-c2ccc(OC(F)(F)F)cc2)c1C(=O)NCc1ccc(F)c(F)c1 ZINC000023323120 559143822 /nfs/dbraw/zinc/14/38/22/559143822.db2.gz NVPRZUSGALFRTL-UHFFFAOYSA-N 0 0 412.314 4.757 50 0 HJAARN COc1cc(C)c(NC(=O)c2ccccc2OCCOc2ccccc2)cc1OC ZINC000014085568 559149455 /nfs/dbraw/zinc/14/94/55/559149455.db2.gz JSBIYLSYFVFVME-UHFFFAOYSA-N 0 0 407.466 4.722 50 0 HJAARN Cc1nnc(-c2cc(C(C)(C)C)n(-c3ccc(C(=O)N[C@H](C)C(C)(C)C)cc3)n2)o1 ZINC000023325901 559153325 /nfs/dbraw/zinc/15/33/25/559153325.db2.gz IEOAKCSCTKKYPZ-CQSZACIVSA-N 0 0 409.534 4.693 50 0 HJAARN Cc1nc2ccc(C(=O)N3CCCC[C@H]3c3nc(-c4ccccc4)no3)cc2nc1C ZINC000071862781 559154006 /nfs/dbraw/zinc/15/40/06/559154006.db2.gz MMYZFRHJJDVXGV-NRFANRHFSA-N 0 0 413.481 4.664 50 0 HJAARN Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)N[C@@H](C)C(C)(C)C)c3)n2)o1 ZINC000023326776 559154618 /nfs/dbraw/zinc/15/46/18/559154618.db2.gz DJSAXVJUUJWJOV-HNNXBMFYSA-N 0 0 409.534 4.594 50 0 HJAARN COc1cc(OC)cc(-c2onc(C)c2C(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000023326995 559154650 /nfs/dbraw/zinc/15/46/50/559154650.db2.gz IETLWQFKJMGXNC-UHFFFAOYSA-N 0 0 420.509 4.762 50 0 HJAARN CCCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)C1CCC1 ZINC000004827093 559155598 /nfs/dbraw/zinc/15/55/98/559155598.db2.gz ZNODNGRZVYNJQK-UHFFFAOYSA-N 0 0 424.585 4.978 50 0 HJAARN COc1cccc(NC(=O)CSc2ccccc2C(=O)NC2CCCCCC2)c1 ZINC000014239183 559161540 /nfs/dbraw/zinc/16/15/40/559161540.db2.gz FEOPMFBROPDURY-UHFFFAOYSA-N 0 0 412.555 4.879 50 0 HJAARN Cc1cccc(Nc2nnc(SCC(=O)N[C@H]3CCCc4ccccc43)s2)c1 ZINC000004838084 559166520 /nfs/dbraw/zinc/16/65/20/559166520.db2.gz ATQKOJIADFDWOK-SFHVURJKSA-N 0 0 410.568 4.876 50 0 HJAARN Cc1ccc(-c2csc(=S)n2CC(=O)N[C@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000014484622 559167034 /nfs/dbraw/zinc/16/70/34/559167034.db2.gz RMSKZEWEFZKYTA-CQSZACIVSA-N 0 0 412.536 4.861 50 0 HJAARN CCOC(=O)c1ccc2c(c1)nc(SCc1c(F)ccc(C)c1F)n2CCOC ZINC000023331912 559170433 /nfs/dbraw/zinc/17/04/33/559170433.db2.gz MHROKASBDVUTPS-UHFFFAOYSA-N 0 0 420.481 4.738 50 0 HJAARN COc1ccc(-n2c(CCC(=O)NCC3CC3)cc3c2-c2ccccc2CC3)cc1 ZINC000023332070 559170488 /nfs/dbraw/zinc/17/04/88/559170488.db2.gz FKPGPZQYGOMKNJ-UHFFFAOYSA-N 0 0 400.522 4.710 50 0 HJAARN Cc1nn(-c2nc(C)c(C(=O)N3CCCC[C@@H]3C)s2)c(C)c1Cc1ccccc1 ZINC000014608859 559170809 /nfs/dbraw/zinc/17/08/09/559170809.db2.gz WVAHSJFAMDSGCL-HNNXBMFYSA-N 0 0 408.571 4.859 50 0 HJAARN FC(F)(F)c1cc(CNc2c3c(nc4ncnn42)CCCC3)cc(C(F)(F)F)c1 ZINC000023334598 559172694 /nfs/dbraw/zinc/17/26/94/559172694.db2.gz OWIZQYUSRDOHBK-UHFFFAOYSA-N 0 0 415.341 4.653 50 0 HJAARN CCOC(=O)c1cc(-c2ccccc2C)n(-c2ccc(C(=O)NCC(C)(C)C)cc2)n1 ZINC000023334963 559172822 /nfs/dbraw/zinc/17/28/22/559172822.db2.gz KFQSBQKNBDCSSQ-UHFFFAOYSA-N 0 0 419.525 4.800 50 0 HJAARN COc1cccc(-c2cc(-c3ccc(C(=O)NCCOc4ccccc4)cc3)n[nH]2)c1 ZINC000023430308 559174399 /nfs/dbraw/zinc/17/43/99/559174399.db2.gz PNSDWUXTGQEVAR-UHFFFAOYSA-N 0 0 413.477 4.561 50 0 biogenic HJAARN Cc1nnc(-c2cc(C(C)C)n(-c3cccc(C(=O)N[C@@H](C)c4ccccc4)c3)n2)o1 ZINC000023451003 559174697 /nfs/dbraw/zinc/17/46/97/559174697.db2.gz JUWGZHPPWHBONZ-INIZCTEOSA-N 0 0 415.497 4.845 50 0 HJAARN COc1cccc(-c2cc(-c3ccc(C(=O)NCc4cccc(F)c4F)cc3)n[nH]2)c1 ZINC000023444537 559175066 /nfs/dbraw/zinc/17/50/66/559175066.db2.gz CTLIYRIEEVFVCP-UHFFFAOYSA-N 0 0 419.431 4.961 50 0 HJAARN COc1cccc(-c2c[nH]c(-c3ccc(CNC(=O)c4c(F)cccc4F)cc3)n2)c1 ZINC000023444753 559175195 /nfs/dbraw/zinc/17/51/95/559175195.db2.gz NKTHTLIHVVCNGU-UHFFFAOYSA-N 0 0 419.431 4.961 50 0 HJAARN O=C(c1ccc2ncsc2c1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 ZINC000220676307 559176290 /nfs/dbraw/zinc/17/62/90/559176290.db2.gz UWBOSCSLRMVLOX-CQSZACIVSA-N 0 0 422.485 4.580 50 0 HJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC=C1N=C(c2ccccc2)OC1=O ZINC000100209410 559177571 /nfs/dbraw/zinc/17/75/71/559177571.db2.gz UMQZDOVUKZEAJS-AQTBWJFISA-N 0 0 418.474 4.849 50 0 HJAARN CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cc(Cl)ccc1OC ZINC000011694410 559188170 /nfs/dbraw/zinc/18/81/70/559188170.db2.gz DFDGZAKWDCTEGR-UHFFFAOYSA-N 0 0 403.841 4.715 50 0 HJAARN COc1ccccc1NC(=O)Cn1cc(-c2nnc(-c3ccco3)o2)c2ccccc21 ZINC000011695961 559188767 /nfs/dbraw/zinc/18/87/67/559188767.db2.gz GLISGQDAQSDMEB-UHFFFAOYSA-N 0 0 414.421 4.599 50 0 HJAARN Cc1ccc(NC(=O)CSc2nccn(-c3ccc(C)c(Cl)c3)c2=O)cc1C ZINC000004853058 559191615 /nfs/dbraw/zinc/19/16/15/559191615.db2.gz ZWDFYFFZZGJGAO-UHFFFAOYSA-N 0 0 413.930 4.542 50 0 HJAARN CCOC(=O)c1csc(-n2nc3c(c2C(F)(F)F)CCC[C@H]3C(C)(C)C)n1 ZINC000033436055 559192476 /nfs/dbraw/zinc/19/24/76/559192476.db2.gz ZACHNGHMCSEJFG-LLVKDONJSA-N 0 0 401.454 4.990 50 0 HJAARN O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1Cc1ccccn1 ZINC000004869229 559193875 /nfs/dbraw/zinc/19/38/75/559193875.db2.gz VXGIDQSYMHGAKB-DEOSSOPVSA-N 0 0 412.518 4.709 50 0 HJAARN CC[C@H](C)CN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(C)=O ZINC000004872124 559194506 /nfs/dbraw/zinc/19/45/06/559194506.db2.gz IIARPILEZKRXDL-INIZCTEOSA-N 0 0 404.551 4.619 50 0 HJAARN CCOc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@@H]23)cc1 ZINC000004881999 559197068 /nfs/dbraw/zinc/19/70/68/559197068.db2.gz GDNGBFFFTXHGQK-RPWUZVMVSA-N 0 0 412.489 4.561 50 0 HJAARN COc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OC)cc2)N(c2ccccc2)C3=O)cc1 ZINC000004888942 559197753 /nfs/dbraw/zinc/19/77/53/559197753.db2.gz OVQYAMRKGIIDTM-DEOSSOPVSA-N 0 0 411.461 4.844 50 0 HJAARN COc1ccc(C(=O)N2C(=S)C(c3ccccc3)=NC23CCC(C)CC3)cc1OC ZINC000004891991 559198650 /nfs/dbraw/zinc/19/86/50/559198650.db2.gz HPQSOBNQDHQVCN-UHFFFAOYSA-N 0 0 422.550 4.883 50 0 HJAARN C[C@@H]1CCCN(C(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)C1 ZINC000004904865 559200505 /nfs/dbraw/zinc/20/05/05/559200505.db2.gz UEWLAAUBYSDQRL-QGZVFWFLSA-N 0 0 405.542 4.871 50 0 HJAARN Cc1cccc(OCCn2c3ccccc3nc2[C@@H]2CC(=O)N(C(C)(C)C)C2)c1C ZINC000004910785 559202422 /nfs/dbraw/zinc/20/24/22/559202422.db2.gz WZKNBUBOAMSIHF-LJQANCHMSA-N 0 0 405.542 4.847 50 0 HJAARN CC(C)CCNC(=O)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000004911536 559202826 /nfs/dbraw/zinc/20/28/26/559202826.db2.gz KKZTVOYDAXITAB-UHFFFAOYSA-N 0 0 422.548 4.602 50 0 HJAARN COc1ccc(-c2nc(-c3ccccc3)[nH]c2SCC(=O)NCc2ccco2)cc1 ZINC000004927707 559208116 /nfs/dbraw/zinc/20/81/16/559208116.db2.gz RNDGOPVNGYGSIN-UHFFFAOYSA-N 0 0 419.506 4.754 50 0 HJAARN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000004928858 559208569 /nfs/dbraw/zinc/20/85/69/559208569.db2.gz XMIRAKJJTYUDJD-JOCHJYFZSA-N 0 0 417.509 4.942 50 0 HJAARN COc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 ZINC000004931095 559209707 /nfs/dbraw/zinc/20/97/07/559209707.db2.gz GGTBYVSNLZCOEO-OFVILXPXSA-N 0 0 414.461 4.709 50 0 HJAARN Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)Nc1cc(F)ccc1F ZINC000004935219 559210142 /nfs/dbraw/zinc/21/01/42/559210142.db2.gz XQZVUAQIMVPCQI-UHFFFAOYSA-N 0 0 406.436 4.863 50 0 HJAARN COc1ccc(NC(=O)CCc2c(C)nc3cc(-c4ccccc4)nn3c2C)cc1 ZINC000004935505 559210398 /nfs/dbraw/zinc/21/03/98/559210398.db2.gz LODMZDGGIALBNP-UHFFFAOYSA-N 0 0 400.482 4.593 50 0 HJAARN COc1ccc(N2Cc3cccc(C(=O)Nc4ccc(F)c(Cl)c4)c3C2=O)cc1 ZINC000004935818 559210685 /nfs/dbraw/zinc/21/06/85/559210685.db2.gz LVJAOORPYDUMAT-UHFFFAOYSA-N 0 0 410.832 4.900 50 0 HJAARN COc1cccc2cc(S(=O)(=O)c3ccccc3)/c(=N/c3ccccc3C)oc21 ZINC000004937796 559211197 /nfs/dbraw/zinc/21/11/97/559211197.db2.gz FBMROPCYKVHTAG-VHXPQNKSSA-N 0 0 405.475 4.815 50 0 HJAARN CC(C)N(C(=O)CSc1nnc([C@@H](C)Oc2ccccc2F)o1)c1ccccc1 ZINC000004938116 559211266 /nfs/dbraw/zinc/21/12/66/559211266.db2.gz STEQXFTXKZJJOB-OAHLLOKOSA-N 0 0 415.490 4.882 50 0 HJAARN CCn1c(=O)cc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000004936488 559211890 /nfs/dbraw/zinc/21/18/90/559211890.db2.gz YTOLSOKXLDWXAG-UHFFFAOYSA-N 0 0 406.429 4.771 50 0 HJAARN COc1ccc2c(c1)c(=O)c(C(=O)c1ccc(C)cc1)cn2Cc1ccc(F)cc1 ZINC000004937063 559212106 /nfs/dbraw/zinc/21/21/06/559212106.db2.gz JDESUJQPBHXIHT-UHFFFAOYSA-N 0 0 401.437 4.737 50 0 HJAARN CCCC(=O)Nc1ccc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)cc1 ZINC000004961140 559217462 /nfs/dbraw/zinc/21/74/62/559217462.db2.gz ZEAWSRUIJOCSLL-UHFFFAOYSA-N 0 0 420.538 4.858 50 0 HJAARN CCc1ccc(-n2c(=O)c3cnn(-c4ccc(F)cc4)c3nc2-c2ccco2)cc1 ZINC000004971912 559221001 /nfs/dbraw/zinc/22/10/01/559221001.db2.gz KRPFYPBOUVVRQV-UHFFFAOYSA-N 0 0 400.413 4.533 50 0 HJAARN COc1ccc(N(C)C(=O)c2oc(=O)c3ccccc3c2-c2ccccc2)c(OC)c1 ZINC000004972067 559221053 /nfs/dbraw/zinc/22/10/53/559221053.db2.gz ZVVNTIYXVBEMJE-UHFFFAOYSA-N 0 0 415.445 4.754 50 0 HJAARN COc1ccc(C(=O)[C@@H](C)Sc2nnc(COc3ccc(Cl)cc3)o2)cc1 ZINC000004987676 559224125 /nfs/dbraw/zinc/22/41/25/559224125.db2.gz REVROAYLKDTHTO-GFCCVEGCSA-N 0 0 404.875 4.674 50 0 HJAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)COc1ccc(Cl)cc1Cl ZINC000004985479 559224389 /nfs/dbraw/zinc/22/43/89/559224389.db2.gz IXUKECKBYICCAE-DDUZABMNSA-N 0 0 417.329 4.919 50 0 HJAARN COc1cc(NC(=O)COc2ccc(C)c(C)c2)ccc1C(=O)Nc1cccs1 ZINC000004993606 559225330 /nfs/dbraw/zinc/22/53/30/559225330.db2.gz GGVLQJRIYIBIBQ-UHFFFAOYSA-N 0 0 410.495 4.643 50 0 HJAARN COc1cc2nc(SCc3cccc(Cl)c3)n3nc(C)nc3c2cc1OC ZINC000005005749 559227132 /nfs/dbraw/zinc/22/71/32/559227132.db2.gz DVSOLOFEMQXPEI-UHFFFAOYSA-N 0 0 400.891 4.549 50 0 HJAARN COc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccccc3F)C2)cc1OC ZINC000005022172 559229399 /nfs/dbraw/zinc/22/93/99/559229399.db2.gz JGFBOUOWLVDPQC-SFHVURJKSA-N 0 0 410.470 4.896 50 0 HJAARN CCCCn1nc(NC(=O)c2cc(OC)cc(OC)c2)c2cc3cc(C)ccc3nc21 ZINC000005046784 559236617 /nfs/dbraw/zinc/23/66/17/559236617.db2.gz NEUUOSXMITWYPY-UHFFFAOYSA-N 0 0 418.497 4.963 50 0 HJAARN Cc1nn([C@@H]2CCOC(C)(C)C2)c2c1[C@@H](c1ccc(Cl)cc1)SCC(=O)N2 ZINC000005047153 559236682 /nfs/dbraw/zinc/23/66/82/559236682.db2.gz QIRBGZKVSKCRII-CRAIPNDOSA-N 0 0 405.951 4.750 50 0 HJAARN Cc1ccc(N(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]2C=CS(=O)(=O)C2)cc1Cl ZINC000005070784 559241307 /nfs/dbraw/zinc/24/13/07/559241307.db2.gz MCGWIRRHUOESLX-IBGZPJMESA-N 0 0 417.958 4.903 50 0 HJAARN COCCNc1nnc(S[C@@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)s1 ZINC000005078487 559241957 /nfs/dbraw/zinc/24/19/57/559241957.db2.gz QPGBVDPRIGLWBY-LJQANCHMSA-N 0 0 413.568 4.930 50 0 HJAARN COCCNc1nc(SC)nc2c3c4c(c(CC(C)C)nc3sc21)CCC4 ZINC000005081308 559242600 /nfs/dbraw/zinc/24/26/00/559242600.db2.gz SAEKDMLXQWOKGV-UHFFFAOYSA-N 0 0 402.589 4.707 50 0 HJAARN CCOc1nc(-c2ccccc2F)n(-c2cccc(NC(=O)c3ccc(F)cc3)c2)n1 ZINC000037385554 559245219 /nfs/dbraw/zinc/24/52/19/559245219.db2.gz IRDWDDLYOZYACT-UHFFFAOYSA-N 0 0 420.419 4.864 50 0 HJAARN CCOc1ccccc1CNC(=O)[C@H]1CCCN(c2nc3c(cc(C)cc3C)s2)C1 ZINC000005107773 559246241 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Cc1noc([C@H](C)N(C)Cc2cc3cc4c(cc3nc2-c2ccc(F)cc2)OCO4)n1 ZINC000072477550 559258050 /nfs/dbraw/zinc/25/80/50/559258050.db2.gz RKAFNMUPAHYPLA-ZDUSSCGKSA-N 0 0 420.444 4.654 50 0 HJAARN CC(C)CCn1c(SCC(=O)N(C)[C@H](C)c2ccccc2)nc2ccccc2c1=O ZINC000011828999 559260611 /nfs/dbraw/zinc/26/06/11/559260611.db2.gz VLCIPZDYLSXYDU-GOSISDBHSA-N 0 0 423.582 4.754 50 0 HJAARN COc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 ZINC000005156921 559261599 /nfs/dbraw/zinc/26/15/99/559261599.db2.gz IFYAVGLOSMGHLU-RDPSFJRHSA-N 0 0 400.434 4.666 50 0 HJAARN CCc1cc(-c2[nH]nc(N)c2-c2nc(C)cs2)c(O)cc1OCc1ccccc1 ZINC000011867302 559263652 /nfs/dbraw/zinc/26/36/52/559263652.db2.gz PKIVWSCIDQAKPU-UHFFFAOYSA-N 0 0 406.511 4.938 50 0 HJAARN COc1cc(OC)cc([C@H]2CC(=O)c3c(C)cc4oc(=O)c5c(c4c3O2)CCCC5)c1 ZINC000011866484 559264238 /nfs/dbraw/zinc/26/42/38/559264238.db2.gz IDQSJGJUMMEPLE-HXUWFJFHSA-N 0 0 420.461 4.704 50 0 biogenic HJAARN COc1cccc2c(C)cc3nnc(SCC(=O)Nc4c(C)cc(C)cc4C)n3c12 ZINC000011903256 559265830 /nfs/dbraw/zinc/26/58/30/559265830.db2.gz FUUHVXXMTILVMR-UHFFFAOYSA-N 0 0 420.538 4.856 50 0 HJAARN Cc1ccc(C)c(SCC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)c1 ZINC000024141395 559273845 /nfs/dbraw/zinc/27/38/45/559273845.db2.gz YZGFBRWOMFJBRZ-UHFFFAOYSA-N 0 0 408.523 4.582 50 0 HJAARN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc(F)c3)[C@@H]2C(=O)N1c1ccccc1Cl ZINC000137920201 559281340 /nfs/dbraw/zinc/28/13/40/559281340.db2.gz BGTBINSKIDETII-PWRODBHTSA-N 0 0 422.843 4.530 50 0 HJAARN Cc1cccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc(Cl)cc2Cl)c1 ZINC000000828860 559281757 /nfs/dbraw/zinc/28/17/57/559281757.db2.gz PHUQCHJAFRZHGE-QGZVFWFLSA-N 0 0 406.338 4.733 50 0 HJAARN CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000000829474 559281887 /nfs/dbraw/zinc/28/18/87/559281887.db2.gz CVTCRUJOUQGFQD-LJQANCHMSA-N 0 0 409.511 4.700 50 0 HJAARN CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)o2)cc1 ZINC000005170184 559287524 /nfs/dbraw/zinc/28/75/24/559287524.db2.gz YCMXYOYKZMNVPG-KGLIPLIRSA-N 0 0 415.490 4.632 50 0 HJAARN O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1ccc2c(c1)OCCO2 ZINC000000861607 559290634 /nfs/dbraw/zinc/29/06/34/559290634.db2.gz AFSJHXAVVQFRNP-UHFFFAOYSA-N 0 0 404.447 4.692 50 0 HJAARN CCOc1ccc(CCNC(=O)c2cc3sc(Cl)cc3n2C)cc1OCC ZINC000005036574 560200430 /nfs/dbraw/zinc/20/04/30/560200430.db2.gz DGNXYXASQJMULD-UHFFFAOYSA-N 0 0 406.935 4.663 50 0 in-vitro HJAARN Cc1cc(Br)cc2c1N(Cc1ccc(OCCC(C)C)cc1)C(=O)C2=O ZINC000005234862 560548138 /nfs/dbraw/zinc/54/81/38/560548138.db2.gz WCWWALOATZTWBI-UHFFFAOYSA-N 0 0 416.315 4.912 50 0 HJAARN COc1cc2c(cc1NC(=O)CCn1c3ccccc3oc1=O)oc1ccccc12 ZINC000005241819 560549502 /nfs/dbraw/zinc/54/95/02/560549502.db2.gz AIEPZZNHHIFKLS-UHFFFAOYSA-N 0 0 402.406 4.531 50 0 HJAARN COc1cc(CCC(=O)Nc2ccc(N3CCCCCC3)cc2)cc(OC)c1OC ZINC000005245036 560550213 /nfs/dbraw/zinc/55/02/13/560550213.db2.gz YOYCULFHCGEHRI-UHFFFAOYSA-N 0 0 412.530 4.664 50 0 HJAARN CCOc1ccc(-c2cccc(NC(=O)c3ccc(OCC)c(OCC)c3)c2)nn1 ZINC000005259649 560553711 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HJAARN CCCCOc1ccc(-c2ccc(C(=O)N[C@H](O)C(Cl)(Cl)Cl)cc2)cc1 ZINC000002066242 560584090 /nfs/dbraw/zinc/58/40/90/560584090.db2.gz OAEPOKPVBSEENH-GOSISDBHSA-N 0 0 416.732 4.951 50 0 HJAARN COc1ccc(-c2noc(CNC(=O)CC(c3ccccc3)c3ccccc3)n2)cc1 ZINC000005428795 560586167 /nfs/dbraw/zinc/58/61/67/560586167.db2.gz CKEJVVYPBRCAAF-UHFFFAOYSA-N 0 0 413.477 4.584 50 0 HJAARN CCCN(CC(=O)Nc1ccc(C)cc1C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000002651766 560587092 /nfs/dbraw/zinc/58/70/92/560587092.db2.gz MZWLRXAVHAZVBK-UHFFFAOYSA-N 0 0 422.356 4.899 50 0 HJAARN COc1ccc(OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)cc1 ZINC000005442495 560587759 /nfs/dbraw/zinc/58/77/59/560587759.db2.gz VQQZFGRORYUERL-FQEVSTJZSA-N 0 0 410.857 4.698 50 0 HJAARN CC[C@@H](C)c1ccc(-n2c(S[C@@H](C)C(N)=O)nc3ccc(Cl)cc3c2=O)cc1 ZINC000005449929 560588515 /nfs/dbraw/zinc/58/85/15/560588515.db2.gz WIZRBGDVFXKBQS-OLZOCXBDSA-N 0 0 415.946 4.519 50 0 HJAARN O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1ccccc1F ZINC000003239993 560590546 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/nfs/dbraw/zinc/89/61/14/560896114.db2.gz SFAYMBVAVXAOIH-UHFFFAOYSA-N 0 0 418.515 4.985 50 0 HJAARN COc1ccc(CN2C(=O)C(=O)C(c3ccc(OC)cc3)[C@@H]2c2ccccc2)cc1 ZINC000045941466 568422123 /nfs/dbraw/zinc/42/21/23/568422123.db2.gz ODYSIRCZERTCPE-QHCPKHFHSA-N 0 0 401.462 4.757 50 0 HJAARN COc1ccc(CN2C(=O)C(=O)C(c3ccccc3)[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000045942127 568422364 /nfs/dbraw/zinc/42/23/64/568422364.db2.gz AKWHJWHOSXEXAH-HSZRJFAPSA-N 0 0 419.452 4.896 50 0 HJAARN CCOc1ccc(-c2nc(COc3cc(C)c4c(C)nn(C)c4n3)c(C)o2)cc1OC ZINC000045995348 568423206 /nfs/dbraw/zinc/42/32/06/568423206.db2.gz GLIVGULZHXQHFG-UHFFFAOYSA-N 0 0 422.485 4.535 50 0 HJAARN Cc1nn(-c2ccccc2)c2nc(OCC(=O)Nc3ccc(C)c(C)c3)cc(C)c12 ZINC000046016847 568423631 /nfs/dbraw/zinc/42/36/31/568423631.db2.gz DTLPUOGCQIOJQL-UHFFFAOYSA-N 0 0 400.482 4.672 50 0 HJAARN CCCc1cc(Nc2ccc(OC(F)(F)F)cc2)n2nc(-c3ccco3)nc2n1 ZINC000046017843 568423899 /nfs/dbraw/zinc/42/38/99/568423899.db2.gz VQTKNEVLCDQISG-UHFFFAOYSA-N 0 0 403.364 4.979 50 0 HJAARN CCCc1noc(-c2cc(S(=O)(=O)Nc3ccc(C(C)C)cc3)ccc2OC)n1 ZINC000046020243 568423985 /nfs/dbraw/zinc/42/39/85/568423985.db2.gz DSDFVWOUOLVZBC-UHFFFAOYSA-N 0 0 415.515 4.622 50 0 HJAARN CC(=O)c1cccc(Nc2c3c(nc4nc(Cc5ccc(C)cc5)nn42)CCCC3)c1 ZINC000046022966 568424286 /nfs/dbraw/zinc/42/42/86/568424286.db2.gz OXLAIGAXTDHHPT-UHFFFAOYSA-N 0 0 411.509 4.849 50 0 HJAARN Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3cccc(C(F)(F)F)c3)C2)c1C ZINC000046044078 568424931 /nfs/dbraw/zinc/42/49/31/568424931.db2.gz PDNGRNQXZUIWHS-KRWDZBQOSA-N 0 0 404.432 4.813 50 0 HJAARN O=C(Cc1cccc2ccccc21)N1CCC[C@H](C(=O)NC2CCCCCCC2)C1 ZINC000046045042 568425021 /nfs/dbraw/zinc/42/50/21/568425021.db2.gz OJGHLUWVZOKEES-QFIPXVFZSA-N 0 0 406.570 4.850 50 0 HJAARN O=C(Cc1cccc2ccccc21)N1CCC[C@H](C(=O)Nc2cccc(Cl)c2)C1 ZINC000046045016 568425026 /nfs/dbraw/zinc/42/50/26/568425026.db2.gz FIFANXKUYAJFRN-IBGZPJMESA-N 0 0 406.913 4.913 50 0 HJAARN CCc1ccccc1NC(=O)[C@H]1CCCN(C(=O)Cc2cccc3ccccc32)C1 ZINC000046045074 568425049 /nfs/dbraw/zinc/42/50/49/568425049.db2.gz NJSVSLDMWGNZOY-QFIPXVFZSA-N 0 0 400.522 4.822 50 0 HJAARN CSc1cccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3cccc4ccccc43)C2)c1 ZINC000046045192 568425091 /nfs/dbraw/zinc/42/50/91/568425091.db2.gz SFPJXBKAWPKZJV-HXUWFJFHSA-N 0 0 418.562 4.982 50 0 HJAARN CCc1cccc(NC(=O)[C@H]2CCCN(C(=O)Cc3cccc4ccccc43)C2)c1 ZINC000046045235 568425175 /nfs/dbraw/zinc/42/51/75/568425175.db2.gz UWGRSVRIJIMFGS-QFIPXVFZSA-N 0 0 400.522 4.822 50 0 HJAARN COc1ccc(Cn2cc(C(=O)c3ccc(C)cc3C)c(=O)c3ccc(C)nc32)cc1 ZINC000046053802 568425582 /nfs/dbraw/zinc/42/55/82/568425582.db2.gz NMFKIYGSGFNLJX-UHFFFAOYSA-N 0 0 412.489 4.610 50 0 HJAARN O=C(Nc1c(F)cccc1F)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000046078992 568427654 /nfs/dbraw/zinc/42/76/54/568427654.db2.gz VUPHCGFTSATXOC-UHFFFAOYSA-N 0 0 410.395 4.949 50 0 HJAARN O=C(Nc1ccc(-n2cncn2)cc1C(F)(F)F)N1CCC[C@@H]1c1ccsc1 ZINC000047674498 568430778 /nfs/dbraw/zinc/43/07/78/568430778.db2.gz YFLFQZVCTNCLQL-MRXNPFEDSA-N 0 0 407.421 4.717 50 0 HJAARN COc1ccc(Cl)cc1NCCC(=O)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000048288089 568434848 /nfs/dbraw/zinc/43/48/48/568434848.db2.gz DZUHGWSGKRARJM-UHFFFAOYSA-N 0 0 400.828 4.828 50 0 HJAARN O=C(Oc1ccc2c(c1)CCC(=O)N2)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000048286504 568436168 /nfs/dbraw/zinc/43/61/68/568436168.db2.gz KBVSCHBTLSDODI-UHFFFAOYSA-N 0 0 415.474 4.705 50 0 HJAARN CCOc1cc(C(=O)OCc2ncc(Cl)n2C)cc(-c2ccccc2)c1OC ZINC000048303668 568436254 /nfs/dbraw/zinc/43/62/54/568436254.db2.gz QKXPNYGFDGDXLP-UHFFFAOYSA-N 0 0 400.862 4.505 50 0 HJAARN Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCCc2cc(OC(F)(F)F)ccc21 ZINC000048300627 568437367 /nfs/dbraw/zinc/43/73/67/568437367.db2.gz LYSNXBRVIPUNDS-UHFFFAOYSA-N 0 0 418.419 4.812 50 0 HJAARN C[C@H](Sc1nc2cc(Cl)ccc2n1C)C(=O)Nc1ccccc1OC(F)F ZINC000048340218 568440238 /nfs/dbraw/zinc/44/02/38/568440238.db2.gz QTBRSRZNVJIIQU-JTQLQIEISA-N 0 0 411.861 4.947 50 0 HJAARN Cc1sc2nc(-c3cccs3)nc(N(C)Cc3nnc4n3CCCCC4)c2c1C ZINC000048342850 568440676 /nfs/dbraw/zinc/44/06/76/568440676.db2.gz LHKQFCRLRBAKGT-UHFFFAOYSA-N 0 0 424.599 4.991 50 0 HJAARN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)ccc1C ZINC000048365497 568441761 /nfs/dbraw/zinc/44/17/61/568441761.db2.gz UMTSQFIPSGBPAZ-KRWDZBQOSA-N 0 0 407.297 4.554 50 0 HJAARN O=C(NCc1ccc(C(=O)N2CCCC2)cc1)N[C@H](c1cccs1)C1CCCC1 ZINC000048481328 568443058 /nfs/dbraw/zinc/44/30/58/568443058.db2.gz KBVPWLCXRDDWNJ-NRFANRHFSA-N 0 0 411.571 4.715 50 0 HJAARN O=C(CSc1cc(NCc2ccc(Cl)cc2)ncn1)Nc1ccccc1F ZINC000049006721 568444919 /nfs/dbraw/zinc/44/49/19/568444919.db2.gz ITGSVFNDTVTZCT-UHFFFAOYSA-N 0 0 402.882 4.612 50 0 HJAARN O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2)c1ccccc1C(F)(F)F ZINC000049030357 568445732 /nfs/dbraw/zinc/44/57/32/568445732.db2.gz BBICISZGIYYJBF-HNNXBMFYSA-N 0 0 418.415 4.735 50 0 HJAARN O=C(/C=C/c1ccccc1Cl)Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2 ZINC000049030342 568445735 /nfs/dbraw/zinc/44/57/35/568445735.db2.gz UYIXJBCCGVZMBD-VEGGFIAOSA-N 0 0 410.901 4.769 50 0 HJAARN COc1ccc(CNC(=O)c2cc(-c3sc(-c4cccc(C)c4)nc3C)n[nH]2)cc1 ZINC000049002312 568446044 /nfs/dbraw/zinc/44/60/44/568446044.db2.gz YMEVUJVDDCIINJ-UHFFFAOYSA-N 0 0 418.522 4.756 50 0 HJAARN COc1cccc2c(Nc3ccc(Cl)cc3)cc(C(=O)N3CCSCC3)nc12 ZINC000049003016 568446272 /nfs/dbraw/zinc/44/62/72/568446272.db2.gz AAMUYECNRGOXRH-UHFFFAOYSA-N 0 0 413.930 4.829 50 0 HJAARN Cc1cc(C)c2c(n1)sc1c2nc(C)n(CC(=O)Nc2cccc(C(C)C)c2)c1=O ZINC000049004088 568446630 /nfs/dbraw/zinc/44/66/30/568446630.db2.gz WTBBBGWJQBSUBQ-UHFFFAOYSA-N 0 0 420.538 4.694 50 0 HJAARN Cc1ccc2c(ncc(C(=O)N3CCCC3)c2Nc2cccc(Br)c2)n1 ZINC000049004631 568446716 /nfs/dbraw/zinc/44/67/16/568446716.db2.gz HLVYWOYCBOQRFP-UHFFFAOYSA-N 0 0 411.303 4.680 50 0 HJAARN CCc1nnc2c(SCC(=O)Nc3cc(Cl)ccc3C)nc3ccccc3n12 ZINC000049421777 568450675 /nfs/dbraw/zinc/45/06/75/568450675.db2.gz OQYKEUVYPHEBDQ-UHFFFAOYSA-N 0 0 411.918 4.533 50 0 HJAARN COCc1nn2c(c1-c1ccccc1)NC(=O)C[C@H]2C(=O)Nc1ccc(Cl)cc1 ZINC000049547717 568451577 /nfs/dbraw/zinc/45/15/77/568451577.db2.gz VUEWTTXIFSCBMU-KRWDZBQOSA-N 0 0 410.861 4.521 50 0 HJAARN COc1ccc(C2=Nn3cc(-c4ccccc4)nc3SC2)cc1Br ZINC000014901413 568454115 /nfs/dbraw/zinc/45/41/15/568454115.db2.gz CKCXSUZJGQCHBA-UHFFFAOYSA-N 0 0 400.301 4.679 50 0 HJAARN Cc1cc(C)cc(C(=O)Nc2cccc(-c3ccc4nnc(-c5ccncc5)n4n3)c2)c1 ZINC000012237537 568455162 /nfs/dbraw/zinc/45/51/62/568455162.db2.gz LBSYSTLGWAJZAF-UHFFFAOYSA-N 0 0 420.476 4.722 50 0 HJAARN CCC(=O)Oc1cc2oc(CC)c(-c3ccc4c(c3)OCCO4)c(=O)c2cc1CC ZINC000000630391 568456334 /nfs/dbraw/zinc/45/63/34/568456334.db2.gz OZVWQIMRHXBWEU-UHFFFAOYSA-N 0 0 408.450 4.671 50 0 biogenic HJAARN O=C(N[C@@H](Nc1ccc(Br)cc1)C(=O)c1ccccc1)c1cccs1 ZINC000000631736 568456471 /nfs/dbraw/zinc/45/64/71/568456471.db2.gz XBAIFYWOFPYBPX-GOSISDBHSA-N 0 0 415.312 4.562 50 0 HJAARN COC(=O)c1c(C(=O)OC)c2n3ccccc3c(C)c(-c3ccccc3)c-2c1N(C)C ZINC000000643147 568457039 /nfs/dbraw/zinc/45/70/39/568457039.db2.gz JYMHALNZUXBRHX-UHFFFAOYSA-N 0 0 416.477 4.659 50 0 HJAARN Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NC4CCCC4)cc3n2)cc1C ZINC000000650793 568457862 /nfs/dbraw/zinc/45/78/62/568457862.db2.gz GQCIVIXQJHDIHQ-UHFFFAOYSA-N 0 0 402.420 4.704 50 0 HJAARN CC[C@H](C(=O)NC1CCCC1)n1c2cnccc2nc1SCc1cccc(OC)c1 ZINC000006752279 568458541 /nfs/dbraw/zinc/45/85/41/568458541.db2.gz UDIROSRANGYZQM-HXUWFJFHSA-N 0 0 424.570 4.742 50 0 HJAARN CC(C)(C)OC(=O)N1CCN(C(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 ZINC000000653977 568459815 /nfs/dbraw/zinc/45/98/15/568459815.db2.gz FKXBKOROZDEXCG-UHFFFAOYSA-N 0 0 415.342 4.901 50 0 HJAARN Cc1ccc(NC(=O)CN2C(=O)C(c3ccc(C)cc3)=NC23CCCCCC3)cc1 ZINC000006808662 568459890 /nfs/dbraw/zinc/45/98/90/568459890.db2.gz RHFIUAWXLNTNLW-UHFFFAOYSA-N 0 0 403.526 4.624 50 0 aggregator HJAARN O=C1CS[C@H](c2ccc(OC(F)F)cc2)N1c1ccc(Br)cc1 ZINC000002485271 568459999 /nfs/dbraw/zinc/45/99/99/568459999.db2.gz QQVXWWUIIXUOQU-OAHLLOKOSA-N 0 0 400.244 4.829 50 0 HJAARN COc1ccc(/C=C/C(=O)Nc2ccc3nn(-c4cccc(Cl)c4)nc3c2)cc1 ZINC000000667106 568460494 /nfs/dbraw/zinc/46/04/94/568460494.db2.gz KYFWTAWEOXDVSW-KPKJPENVSA-N 0 0 404.857 4.734 50 0 HJAARN COc1cc(NC(=O)c2ccc(N(C)C)cc2)c(Cl)cc1NC(=O)c1ccccc1 ZINC000000670682 568461007 /nfs/dbraw/zinc/46/10/07/568461007.db2.gz PTRCKMUXBWVZSY-UHFFFAOYSA-N 0 0 423.900 4.919 50 0 HJAARN COCc1c(C(=O)OCc2cc(=O)oc3cc(C)ccc23)sc2cccc(F)c21 ZINC000006850990 568461563 /nfs/dbraw/zinc/46/15/63/568461563.db2.gz PDCUGICAZZNRPC-UHFFFAOYSA-N 0 0 412.438 4.959 50 0 HJAARN CCOc1ccc2ccccc2c1/C=C1/NC(=S)N(c2ccc(OC)cc2)C1=O ZINC000000685080 568461762 /nfs/dbraw/zinc/46/17/62/568461762.db2.gz CUIVWSSFGYZIMH-XSFVSMFZSA-N 0 0 404.491 4.509 50 0 HJAARN CSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCCCC3)cc2s1 ZINC000000713524 568465015 /nfs/dbraw/zinc/46/50/15/568465015.db2.gz ICPLYYORFCQOSF-UHFFFAOYSA-N 0 0 411.552 4.897 50 0 HJAARN CCOc1ccc([C@H]2Oc3ccc(Br)cc3C=C2[N+](=O)[O-])cc1OC ZINC000000718203 568465887 /nfs/dbraw/zinc/46/58/87/568465887.db2.gz BTRSBKSFEIYBQY-GOSISDBHSA-N 0 0 406.232 4.608 50 0 HJAARN COc1ccc(Cl)cc1C(=O)N(Cc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000021600314 568466780 /nfs/dbraw/zinc/46/67/80/568466780.db2.gz ARZHHORWPXWFET-UHFFFAOYSA-N 0 0 411.832 4.763 50 0 HJAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000754407 568471884 /nfs/dbraw/zinc/47/18/84/568471884.db2.gz RZUPXLYWGFALLA-QHCPKHFHSA-N 0 0 406.507 4.544 50 0 HJAARN O=C(NC(c1ccccc1)c1ccccc1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000022013343 568473400 /nfs/dbraw/zinc/47/34/00/568473400.db2.gz BZQWXSAEISNBOY-UHFFFAOYSA-N 0 0 411.505 4.950 50 0 HJAARN O=C(Cn1c(-c2ccccc2)cc2ccccc21)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000022193172 568476058 /nfs/dbraw/zinc/47/60/58/568476058.db2.gz YQXMFILQBPTVQP-UHFFFAOYSA-N 0 0 409.489 4.839 50 0 HJAARN Cc1ccccc1NC(=O)CSc1nnc2c3c4c(sc3nc(C)n12)CCCC4 ZINC000000792366 568481056 /nfs/dbraw/zinc/48/10/56/568481056.db2.gz UGHVXGOAPSKIOI-UHFFFAOYSA-N 0 0 423.567 4.565 50 0 HJAARN COc1cccc(C(=O)c2c(N)c(C(=O)Nc3ccccc3Cl)c3ccccn32)c1 ZINC000012342136 568483739 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O=C(Nc1cnn(C[C@H]2CCCCO2)c1)c1ccc2noc(-c3ccccc3)c2c1 ZINC000390829500 568493604 /nfs/dbraw/zinc/49/36/04/568493604.db2.gz ZKHWEUZOJFCCEZ-LJQANCHMSA-N 0 0 402.454 4.513 50 0 HJAARN c1[nH]c2ccccc2c1C1=Nn2c(nnc2[C@H]2CCCO2)S[C@H]1c1ccccc1 ZINC000008278813 568496156 /nfs/dbraw/zinc/49/61/56/568496156.db2.gz HOKONEQXAMFALV-QUCCMNQESA-N 0 0 401.495 4.710 50 0 HJAARN O=C(N[C@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl)c1ccco1 ZINC000000823824 568498816 /nfs/dbraw/zinc/49/88/16/568498816.db2.gz PNMBVJSRKQFMLF-LBPRGKRZSA-N 0 0 401.599 4.837 50 0 HJAARN Cc1c2ccc3ccccc3c2oc1C(=O)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000008389750 568499965 /nfs/dbraw/zinc/49/99/65/568499965.db2.gz WYHKRKORINWXDV-UHFFFAOYSA-N 0 0 412.367 4.680 50 0 HJAARN CCC(=O)Nc1nc2c(cc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2C)s1 ZINC000033007685 568510268 /nfs/dbraw/zinc/51/02/68/568510268.db2.gz FHZOLBHJPIELDR-UHFFFAOYSA-N 0 0 417.556 4.679 50 0 HJAARN CCc1cccc(C)c1NC(=O)CSc1ccc(=O)n(-c2ccc(C(C)C)cc2)n1 ZINC000033128438 568511223 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O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1cc2ccccc2oc1=O ZINC000000986826 568760527 /nfs/dbraw/zinc/76/05/27/568760527.db2.gz ADDAAVFQBYNCIT-UHFFFAOYSA-N 0 0 400.365 4.993 50 0 HJAARN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3O)n2-c2ccccc2)cc1 ZINC000000995892 568760808 /nfs/dbraw/zinc/76/08/08/568760808.db2.gz UFUGZFINAOHGLG-UHFFFAOYSA-N 0 0 416.506 4.679 50 0 HJAARN CCOC(=O)CSc1nc2sc3c(c2c(=O)n1CC1CCCCC1)CCCC3 ZINC000000994986 568760902 /nfs/dbraw/zinc/76/09/02/568760902.db2.gz QLMAEMKXTMRRJU-UHFFFAOYSA-N 0 0 420.600 4.572 50 0 HJAARN CCOc1ccc(CNC(=O)c2cc(-c3ccccn3)nc3ccccc32)cc1OC ZINC000021934517 568761962 /nfs/dbraw/zinc/76/19/62/568761962.db2.gz OEXZDXRPNWOKTL-UHFFFAOYSA-N 0 0 413.477 4.634 50 0 HJAARN O=C1S/C(=C\c2cc(Br)ccc2O)C(=O)N1Cc1ccc(F)cc1 ZINC000001011124 568762924 /nfs/dbraw/zinc/76/29/24/568762924.db2.gz VYRWCOVRUDFRSJ-NVNXTCNLSA-N 0 0 408.248 4.530 50 0 HJAARN COc1cc(-c2nnc(-c3ccc(-n4nc(C)cc4C)cc3)s2)cc(OC)c1OC ZINC000334163309 568764093 /nfs/dbraw/zinc/76/40/93/568764093.db2.gz OIKFJVNTKMLJSR-UHFFFAOYSA-N 0 0 422.510 4.700 50 0 HJAARN COc1cc(C(=O)N(Cc2c(C)noc2C)c2ccccc2)cc(Cl)c1OC ZINC000022135167 568765027 /nfs/dbraw/zinc/76/50/27/568765027.db2.gz OZQOTDQAUZGHRJ-UHFFFAOYSA-N 0 0 400.862 4.809 50 0 HJAARN O=C(/C=C\C1=Cc2cc(Cl)ccc2OC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000096924992 568765301 /nfs/dbraw/zinc/76/53/01/568765301.db2.gz HWRHAWKNUIPOND-ZUSXEKFQSA-N 0 0 423.896 4.807 50 0 HJAARN COc1ccc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000001086613 568768329 /nfs/dbraw/zinc/76/83/29/568768329.db2.gz SYXZAHLLRXJCGZ-VWLOTQADSA-N 0 0 412.489 4.973 50 0 biogenic HJAARN COc1ccc2c(c1)CN(C(=O)Nc1ccc([S@@](C)=O)cc1)[C@H](c1ccccc1)C2 ZINC000097164721 568769339 /nfs/dbraw/zinc/76/93/39/568769339.db2.gz PEWZCDYAILAHPZ-JHOBJCJYSA-N 0 0 420.534 4.764 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000001116497 568771106 /nfs/dbraw/zinc/77/11/06/568771106.db2.gz IUWXASNHWFGCHH-UHFFFAOYSA-N 0 0 420.412 4.759 50 0 HJAARN O=C(CCNC(=O)c1ccc(F)cc1F)Nc1cc(Cl)c(Cl)cc1Cl ZINC000025510928 568773732 /nfs/dbraw/zinc/77/37/32/568773732.db2.gz AFMPLWMQDAVRDI-UHFFFAOYSA-N 0 0 407.631 4.684 50 0 HJAARN COc1cc(OC)cc(C(=O)Nc2c3c(nn2-c2cc(C)cc(C)c2)CSC3)c1 ZINC000002483563 568775032 /nfs/dbraw/zinc/77/50/32/568775032.db2.gz CKCIUVHKLNQBRN-UHFFFAOYSA-N 0 0 409.511 4.505 50 0 HJAARN Cn1c2cc(NC(=O)C(C)(C)C)c(Sc3ccc(Cl)cc3)cc2n(C)c1=O ZINC000028049057 568778557 /nfs/dbraw/zinc/77/85/57/568778557.db2.gz XGZLZZYMEGKIHM-UHFFFAOYSA-N 0 0 403.935 4.666 50 0 HJAARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(O[C@H]2CCSC2)nc1 ZINC000225714250 568779779 /nfs/dbraw/zinc/77/97/79/568779779.db2.gz BGABQZNQYFTTHM-LBPRGKRZSA-N 0 0 402.825 4.890 50 0 HJAARN CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2C)c1C ZINC000055593309 568780029 /nfs/dbraw/zinc/78/00/29/568780029.db2.gz CCWJXBCDLQDJKG-ZIAGYGMSSA-N 0 0 409.530 4.513 50 0 HJAARN O=C(CCc1ccccc1Br)NCc1cccnc1-c1cccs1 ZINC000225760226 568781151 /nfs/dbraw/zinc/78/11/51/568781151.db2.gz NBAPQMBSENTKJJ-UHFFFAOYSA-N 0 0 401.329 4.822 50 0 HJAARN COc1cccc(OCc2ccc(C(=O)Nc3cccc(Br)c3)o2)c1 ZINC000028226483 568782752 /nfs/dbraw/zinc/78/27/52/568782752.db2.gz QJWYIJATWNPZPJ-UHFFFAOYSA-N 0 0 402.244 4.882 50 0 HJAARN Cc1ccc(Cn2cc(Br)c(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)n2)cc1 ZINC000028230907 568783082 /nfs/dbraw/zinc/78/30/82/568783082.db2.gz ZFJLFEDZNRIKLC-QZTJIDSGSA-N 0 0 410.315 4.745 50 0 HJAARN COc1ccc(Br)cc1[C@@H]1SCCN1C(=O)Nc1ccc(F)cc1 ZINC000028232277 568783122 /nfs/dbraw/zinc/78/31/22/568783122.db2.gz HRYNMVIPLZQLGM-INIZCTEOSA-N 0 0 411.296 4.876 50 0 HJAARN Cc1c(NCc2cc(=O)n3cc(Cl)ccc3n2)cccc1NC(=O)c1ccccc1 ZINC000055884241 568784395 /nfs/dbraw/zinc/78/43/95/568784395.db2.gz QSXBJMNVZDZOMK-UHFFFAOYSA-N 0 0 418.884 4.521 50 0 HJAARN COc1ccc(N2C(=O)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3C2=O)c(OC)c1 ZINC000670417820 568784816 /nfs/dbraw/zinc/78/48/16/568784816.db2.gz LBBONIDOVZGBRJ-UHFFFAOYSA-N 0 0 417.505 4.972 50 0 HJAARN CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3cccnc3Cl)ccc21 ZINC000002617968 568786198 /nfs/dbraw/zinc/78/61/98/568786198.db2.gz RLUOXMZNHYSVCX-UHFFFAOYSA-N 0 0 407.857 4.658 50 0 HJAARN Cc1cccc(OCCSc2nnc(-c3cccnc3)n2-c2ccccc2F)c1 ZINC000002619720 568786810 /nfs/dbraw/zinc/78/68/10/568786810.db2.gz FQGXRSQFWYQZJJ-UHFFFAOYSA-N 0 0 406.486 4.948 50 0 HJAARN Cc1sc2[nH]c(COC(=O)C3c4ccccc4Oc4ccccc43)nc(=O)c2c1C ZINC000002623241 568788550 /nfs/dbraw/zinc/78/85/50/568788550.db2.gz URGVQJMYDJQZSZ-UHFFFAOYSA-N 0 0 418.474 4.582 50 0 HJAARN Cc1cc(NC(=O)COC(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc32)no1 ZINC000002630535 568790753 /nfs/dbraw/zinc/79/07/53/568790753.db2.gz ZMOTZTLINZJQRU-UHFFFAOYSA-N 0 0 415.449 4.611 50 0 HJAARN Cc1ccc(-n2c(S[C@H]3CCOC3=O)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000002638804 568792910 /nfs/dbraw/zinc/79/29/10/568792910.db2.gz JFYGEQRUDPOXIX-IBGZPJMESA-N 0 0 407.539 4.948 50 0 HJAARN c1coc(Cn2c(SCc3nnc(-c4ccccc4)o3)nnc2-c2ccccc2)c1 ZINC000002643101 568794253 /nfs/dbraw/zinc/79/42/53/568794253.db2.gz SHBCKUYMRGQVNB-UHFFFAOYSA-N 0 0 415.478 4.929 50 0 HJAARN CSc1ccc([C@@H]2C(C(=O)Nc3ccccc3F)=C(C)N(C)C(=S)N2C)cc1 ZINC000002648113 568795491 /nfs/dbraw/zinc/79/54/91/568795491.db2.gz SYCFFKYLGJRIFT-LJQANCHMSA-N 0 0 415.559 4.664 50 0 HJAARN O=C(c1cc(F)c(F)c(F)c1F)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000002654830 568797524 /nfs/dbraw/zinc/79/75/24/568797524.db2.gz MLGVNLMDIODWIH-SNVBAGLBSA-N 0 0 410.392 4.679 50 0 HJAARN C[C@]1(C(=O)OCC(=O)Nc2ccccc2Sc2ccccc2)CC1(Cl)Cl ZINC000002655420 568797656 /nfs/dbraw/zinc/79/76/56/568797656.db2.gz GVCYLWYGRRSGDI-GOSISDBHSA-N 0 0 410.322 4.903 50 0 HJAARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1CCc2ccccc21 ZINC000002655552 568797744 /nfs/dbraw/zinc/79/77/44/568797744.db2.gz ODCJJKRWNROVNX-UHFFFAOYSA-N 0 0 406.507 4.593 50 0 HJAARN Cc1cc(C(=O)CSc2nncn2-c2ccccc2)c(C)n1CCc1ccccc1 ZINC000002656318 568798016 /nfs/dbraw/zinc/79/80/16/568798016.db2.gz MBUIVBLDWCCTGQ-UHFFFAOYSA-N 0 0 416.550 4.903 50 0 HJAARN Cc1ccc2c(CC(=O)O[C@H](C)C(=O)Nc3ncc(Cl)cc3Cl)coc2c1 ZINC000002662952 568799538 /nfs/dbraw/zinc/79/95/38/568799538.db2.gz SFGGRQLOVBGCSE-LLVKDONJSA-N 0 0 407.253 4.556 50 0 HJAARN CCOc1ccc(C(=O)c2cn(Cc3cccc(F)c3)c3ccc(F)cc3c2=O)cc1 ZINC000002687015 568800828 /nfs/dbraw/zinc/80/08/28/568800828.db2.gz QVBQUKHKWZRBPD-UHFFFAOYSA-N 0 0 419.427 4.958 50 0 HJAARN Cc1cccc(CC(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@@H]2c2ccccc2)c1 ZINC000002724482 568803490 /nfs/dbraw/zinc/80/34/90/568803490.db2.gz WHNWLTMJQXLCST-DEOSSOPVSA-N 0 0 404.897 4.761 50 0 HJAARN Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)COc1ccc(Cl)cc1)CC(=O)N2 ZINC000002724161 568803535 /nfs/dbraw/zinc/80/35/35/568803535.db2.gz LKRLODUBXUDMRQ-XMMPIXPASA-N 0 0 420.896 4.598 50 0 HJAARN Cc1cccc(CC(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@H]2c2ccccc2)c1 ZINC000002724481 568803604 /nfs/dbraw/zinc/80/36/04/568803604.db2.gz WHNWLTMJQXLCST-XMMPIXPASA-N 0 0 404.897 4.761 50 0 HJAARN COc1cccc(C(=O)N2CC(=O)Nc3ccc(Cl)cc3[C@@H]2c2ccccc2)c1 ZINC000002724572 568803757 /nfs/dbraw/zinc/80/37/57/568803757.db2.gz OQOSISZPJQDJMU-QFIPXVFZSA-N 0 0 406.869 4.533 50 0 HJAARN Cc1cccc(C)c1NC(=O)CCCSc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000002725847 568803991 /nfs/dbraw/zinc/80/39/91/568803991.db2.gz VBFBCINMCFZGJD-UHFFFAOYSA-N 0 0 411.483 4.593 50 0 HJAARN CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1ccc(COc2ccccc2Cl)o1 ZINC000002739520 568805590 /nfs/dbraw/zinc/80/55/90/568805590.db2.gz DBPPZRCWUTVYEL-UHFFFAOYSA-N 0 0 421.884 4.970 50 0 HJAARN Cc1ccccc1O[C@H]1C(=O)N(Cc2ccc(Cl)cc2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000002740864 568806017 /nfs/dbraw/zinc/80/60/17/568806017.db2.gz SRBMJECEOPMKOG-DHIUTWEWSA-N 0 0 421.880 4.908 50 0 HJAARN S=C(NCCc1ccccc1)Nc1cnn(Cc2ccc(Cl)cc2Cl)c1 ZINC000002782103 568808745 /nfs/dbraw/zinc/80/87/45/568808745.db2.gz YGJCVWMWSLMCGV-UHFFFAOYSA-N 0 0 405.354 4.767 50 0 HJAARN FC(F)[C@H]1C[C@H](c2ccccc2)Nc2c(-c3nc4c5ccccc5ncn4n3)cnn21 ZINC000002806319 568811566 /nfs/dbraw/zinc/81/15/66/568811566.db2.gz YSZSLBOOIXMFIT-QZTJIDSGSA-N 0 0 417.423 4.504 50 0 HJAARN Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C)c2ccccc2C)c1 ZINC000028935157 568813462 /nfs/dbraw/zinc/81/34/62/568813462.db2.gz HGJFVDDEDBCEPV-IBGZPJMESA-N 0 0 422.550 4.904 50 0 HJAARN CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)cc1 ZINC000002908572 568815500 /nfs/dbraw/zinc/81/55/00/568815500.db2.gz QPARPQUIFIOXQY-UHFFFAOYSA-N 0 0 421.547 4.740 50 0 HJAARN CCOc1ccc(CCNC(=O)CCn2c3ccccc3oc2=S)cc1OCC ZINC000002923429 568817174 /nfs/dbraw/zinc/81/71/74/568817174.db2.gz XRSZNBNOQHHCBX-UHFFFAOYSA-N 0 0 414.527 4.510 50 0 biogenic HJAARN COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC(=O)[C@]21C ZINC000257347259 568817559 /nfs/dbraw/zinc/81/75/59/568817559.db2.gz BNXKKGNFJUFIND-RSWQNFHXSA-N 0 0 404.591 4.775 50 0 HJAARN COC(=O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@H](OC(C)=O)[C@]21C ZINC000257348390 568817605 /nfs/dbraw/zinc/81/76/05/568817605.db2.gz FFNJULBVNGBVGK-NJNZCOTESA-N 0 0 418.574 4.565 50 0 HJAARN CC(=O)O[C@H](C)[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000257355766 568817890 /nfs/dbraw/zinc/81/78/90/568817890.db2.gz COXXOOWTEWCQRW-ICCXTOIFSA-N 0 0 420.590 4.644 50 0 HJAARN CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)NCCc2ccc(C)cc2)c1C ZINC000002928907 568817968 /nfs/dbraw/zinc/81/79/68/568817968.db2.gz JCALSCYEXXPUKK-UHFFFAOYSA-N 0 0 418.537 4.698 50 0 HJAARN CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)C(C)(C)C)cc1 ZINC000015184715 568818516 /nfs/dbraw/zinc/81/85/16/568818516.db2.gz CCQNXFHXMXOINF-UHFFFAOYSA-N 0 0 409.555 4.964 50 0 HJAARN COC(=O)c1ccc(NC(=O)c2oc(=O)c3ccccc3c2-c2ccc(C)cc2)cc1 ZINC000002939925 568818968 /nfs/dbraw/zinc/81/89/68/568818968.db2.gz PCSDTLJHNLXKCV-UHFFFAOYSA-N 0 0 413.429 4.807 50 0 HJAARN Cc1cccc(OCc2nc3ccccc3n2C[C@H](O)COc2ccc(C)c(C)c2)c1 ZINC000082086479 568820741 /nfs/dbraw/zinc/82/07/41/568820741.db2.gz JLAOYQVUKJJFCU-NRFANRHFSA-N 0 0 416.521 4.980 50 0 HJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(I)c1 ZINC000001179257 568821519 /nfs/dbraw/zinc/82/15/19/568821519.db2.gz SWZHTRGTNKTLLB-UHFFFAOYSA-N 0 0 422.049 4.616 50 0 HJAARN Cc1cccc(COc2coc(CN3CCN(c4cccc(Cl)c4)CC3)cc2=O)c1 ZINC000056949869 568822009 /nfs/dbraw/zinc/82/20/09/568822009.db2.gz XTNREAAZEBGCCS-UHFFFAOYSA-N 0 0 424.928 4.503 50 0 HJAARN Cc1ccc(COc2coc(CN3CCN(c4cccc(Cl)c4)CC3)cc2=O)cc1 ZINC000056949880 568822019 /nfs/dbraw/zinc/82/20/19/568822019.db2.gz ORBZFESMSDJIID-UHFFFAOYSA-N 0 0 424.928 4.503 50 0 HJAARN CCCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@@H](C)CC)cc1 ZINC000005825022 568824418 /nfs/dbraw/zinc/82/44/18/568824418.db2.gz ZOIXLMKIOZWTJH-IFXJQAMLSA-N 0 0 403.548 4.903 50 0 HJAARN COCCn1c(C)cc(C2=NNC(=Nc3ccc(Cl)cc3Cl)SC2)c1C ZINC000005861380 568826509 /nfs/dbraw/zinc/82/65/09/568826509.db2.gz VFYZURXOKYQZCL-UHFFFAOYSA-N 0 0 411.358 4.977 50 0 aggregator HJAARN Cc1ccc(CN(C)C(=O)c2ccccc2C(=O)c2ccc(Br)cc2)o1 ZINC000029612897 568827762 /nfs/dbraw/zinc/82/77/62/568827762.db2.gz FGZVUHCORSJGQN-UHFFFAOYSA-N 0 0 412.283 4.854 50 0 HJAARN O=C(c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)N1CCOCC1 ZINC000002951031 568828914 /nfs/dbraw/zinc/82/89/14/568828914.db2.gz HMOQVQBDXOXKPH-UHFFFAOYSA-N 0 0 407.520 4.559 50 0 HJAARN C[C@@H]1CCN(C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)[C@@H](C)C1 ZINC000005919900 568829661 /nfs/dbraw/zinc/82/96/61/568829661.db2.gz KEYHMKCBCWRRKO-KGLIPLIRSA-N 0 0 402.420 4.676 50 0 HJAARN Cc1nc(C)c(-c2nnc(SCc3noc(-c4ccccc4Cl)n3)o2)s1 ZINC000025609255 568830101 /nfs/dbraw/zinc/83/01/01/568830101.db2.gz WDJHVHUUZSHUKU-UHFFFAOYSA-N 0 0 405.892 4.806 50 0 HJAARN CC(C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)c3ccc(Cl)cc3)N2C1=O ZINC000002965368 568830725 /nfs/dbraw/zinc/83/07/25/568830725.db2.gz OYLGLOMUOQXRBV-SFHVURJKSA-N 0 0 411.914 4.571 50 0 HJAARN Cn1c2ccc(F)cc2c2c1CCN(C(=O)Nc1cccc(Br)c1)C2 ZINC000034928497 568833221 /nfs/dbraw/zinc/83/32/21/568833221.db2.gz SZDSYLWHKDGPNS-UHFFFAOYSA-N 0 0 402.267 4.670 50 0 HJAARN COC(=O)c1c(NC(=S)N2c3ccccc3C[C@@H]2C)sc2c1CC[C@@H](C)C2 ZINC000005986447 568834229 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QAGCEVPCAGTSPL-UHFFFAOYSA-N 0 0 405.907 4.790 50 0 HJAARN CC(=O)c1ccccc1NC(=O)CSc1nnc(Nc2ccc(C)c(C)c2)s1 ZINC000003285095 568872396 /nfs/dbraw/zinc/87/23/96/568872396.db2.gz UOUBLLDPOPNDGR-UHFFFAOYSA-N 0 0 412.540 4.832 50 0 HJAARN Cc1cc2nc(N3CCC(C(=O)N[C@@H](C)c4ccccc4)CC3)nc(C)c2cc1C ZINC000299764678 568873526 /nfs/dbraw/zinc/87/35/26/568873526.db2.gz CHPZUQWQENPHHZ-SFHVURJKSA-N 0 0 402.542 4.649 50 0 HJAARN O=C(NC[C@H]1Cc2cccc(-c3ccncc3)c2O1)[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000299767602 568873888 /nfs/dbraw/zinc/87/38/88/568873888.db2.gz IDRRUJVKXKBAHY-XXBNENTESA-N 0 0 423.516 4.770 50 0 HJAARN COc1ccc(CSc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1F ZINC000003293519 568874071 /nfs/dbraw/zinc/87/40/71/568874071.db2.gz FQVPBKCWXYDLSF-UHFFFAOYSA-N 0 0 406.486 4.828 50 0 HJAARN Cc1ccc(-c2csc(=S)n2CC(=O)OCC(=O)N(C)C2CCCCC2)cc1 ZINC000003297464 568875574 /nfs/dbraw/zinc/87/55/74/568875574.db2.gz VHDJNPWWJHMXNN-UHFFFAOYSA-N 0 0 418.584 4.589 50 0 HJAARN CCOC(=O)C1CCN([C@H](C(=O)Nc2ccc(C(C)C)cc2)c2ccccc2)CC1 ZINC000058012558 568876227 /nfs/dbraw/zinc/87/62/27/568876227.db2.gz SPEYLDMGCSNFAP-QHCPKHFHSA-N 0 0 408.542 4.765 50 0 HJAARN COc1cc2ccccc2cc1C(=O)OCCOc1ccc(Br)cc1 ZINC000003301228 568876560 /nfs/dbraw/zinc/87/65/60/568876560.db2.gz CBWXCRVHDUKLEU-UHFFFAOYSA-N 0 0 401.256 4.847 50 0 HJAARN O=C(COC(=O)c1ccccc1Br)NC(c1ccccc1)c1ccccc1 ZINC000003312954 568878606 /nfs/dbraw/zinc/87/86/06/568878606.db2.gz WHDXYNGKLAKUQN-UHFFFAOYSA-N 0 0 424.294 4.512 50 0 HJAARN Cc1ccccc1Nc1nnc(SCC(=O)Nc2ccccc2OC(F)F)s1 ZINC000003312920 568878703 /nfs/dbraw/zinc/87/87/03/568878703.db2.gz QIHDPIWRTRSDCD-UHFFFAOYSA-N 0 0 422.482 4.922 50 0 HJAARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2cc(Cl)ccc2OC)cc1 ZINC000004035834 568879534 /nfs/dbraw/zinc/87/95/34/568879534.db2.gz CQWHSRNYGGHZSM-NRFANRHFSA-N 0 0 409.873 4.519 50 0 HJAARN COc1ccc(-c2nnc(SC[C@H](O)c3ccccc3)n2-c2ccccc2)cc1 ZINC000003324427 568880873 /nfs/dbraw/zinc/88/08/73/568880873.db2.gz AEDQQBAZOUWVRU-NRFANRHFSA-N 0 0 403.507 4.769 50 0 HJAARN COc1ccc(-n2c(SCC(=O)C(C)(C)C)nnc2-c2ccccc2OC)cc1 ZINC000003325430 568881144 /nfs/dbraw/zinc/88/11/44/568881144.db2.gz OKZAQOXZLQYANU-UHFFFAOYSA-N 0 0 411.527 4.659 50 0 HJAARN COc1ccccc1CN(C)Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccccc1 ZINC000003326228 568881299 /nfs/dbraw/zinc/88/12/99/568881299.db2.gz VYOPWUFCQVCMGQ-UHFFFAOYSA-N 0 0 405.523 4.601 50 0 HJAARN CCOC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C ZINC000004073927 568882410 /nfs/dbraw/zinc/88/24/10/568882410.db2.gz ZFVNCIMEWULGEX-IDKFIGPBSA-N 0 0 420.634 4.956 50 0 biogenic HJAARN COc1cccc(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)c1OC ZINC000004079146 568882583 /nfs/dbraw/zinc/88/25/83/568882583.db2.gz OZFPGBIYIKZKSX-UHFFFAOYSA-N 0 0 415.902 4.542 50 0 HJAARN O=C(Oc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)c1ccccc1 ZINC000001234481 568882865 /nfs/dbraw/zinc/88/28/65/568882865.db2.gz LUPWZLAVQUPVGL-UHFFFAOYSA-N 0 0 403.459 4.860 50 0 HJAARN COc1cc(N)c(Cl)cc1C(=O)OCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000003340150 568883513 /nfs/dbraw/zinc/88/35/13/568883513.db2.gz PXNQEMAREJVWKE-UHFFFAOYSA-N 0 0 422.953 4.582 50 0 HJAARN Cc1cc(C(=O)OCC(=O)Nc2ccccc2C(=O)c2ccccc2)c2ccccc2n1 ZINC000003343062 568884006 /nfs/dbraw/zinc/88/40/06/568884006.db2.gz PQKDMCKCVURJBE-UHFFFAOYSA-N 0 0 424.456 4.570 50 0 HJAARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000015390927 568884687 /nfs/dbraw/zinc/88/46/87/568884687.db2.gz RKRSSYWJPRLJQV-SFHVURJKSA-N 0 0 420.962 4.529 50 0 HJAARN O=C(NCc1ccccc1)c1ccccc1NCc1nc(-c2ccccc2Cl)no1 ZINC000012642077 568885378 /nfs/dbraw/zinc/88/53/78/568885378.db2.gz LZUADZBONAVHRS-UHFFFAOYSA-N 0 0 418.884 4.932 50 0 HJAARN Clc1cc(Cl)c2nnc(SCCOc3cccc(Br)c3)n2c1 ZINC000003359819 568887599 /nfs/dbraw/zinc/88/75/99/568887599.db2.gz DPGLYQUSIMUOEL-UHFFFAOYSA-N 0 0 419.131 4.970 50 0 HJAARN O=c1c2ccccc2nc(SC[C@@H]2CCCCO2)n1-c1ccc(OC(F)F)cc1 ZINC000003359111 568887380 /nfs/dbraw/zinc/88/73/80/568887380.db2.gz ITRUFKCKXFWAFA-INIZCTEOSA-N 0 0 418.465 4.648 50 0 HJAARN O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1ccc(OC(F)F)cc1 ZINC000003361285 568888178 /nfs/dbraw/zinc/88/81/78/568888178.db2.gz KEAPFLGQUWCHLB-UHFFFAOYSA-N 0 0 411.813 4.952 50 0 HJAARN CCC(=O)Nc1ccc(C(=O)CSc2nnc(NC3CCCCC3)s2)cc1 ZINC000003363193 568888478 /nfs/dbraw/zinc/88/84/78/568888478.db2.gz FMKJMWXFTOFLJE-UHFFFAOYSA-N 0 0 404.561 4.606 50 0 HJAARN Cc1ccc(-c2csc3ncnc(OCC(=O)NCc4ccc(F)cc4)c23)cc1 ZINC000003365950 568889096 /nfs/dbraw/zinc/88/90/96/568889096.db2.gz XAADHCIMEBDHOS-UHFFFAOYSA-N 0 0 407.470 4.501 50 0 HJAARN COc1ccc(I)cc1[C@H]1Nc2ccc(C)cc2[C@H]2OCC[C@H]21 ZINC000030781439 568889800 /nfs/dbraw/zinc/88/98/00/568889800.db2.gz KSIGRBLBFVYMPH-AGRHKRQWSA-N 0 0 421.278 4.853 50 0 HJAARN Cc1ccc(C)c(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)c1 ZINC000003372171 568890645 /nfs/dbraw/zinc/89/06/45/568890645.db2.gz FTVTUUKLIHUGIM-UHFFFAOYSA-N 0 0 404.491 4.630 50 0 HJAARN C[C@H](OC(=O)c1cccc(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000003373220 568890915 /nfs/dbraw/zinc/89/09/15/568890915.db2.gz KKXVLQKUUOUUKH-JTQLQIEISA-N 0 0 416.193 4.652 50 0 HJAARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1n[nH]c(-c2cc(Cl)ccc2Cl)n1 ZINC000003377094 568891545 /nfs/dbraw/zinc/89/15/45/568891545.db2.gz XHFPKKXBCNXIPK-LLVKDONJSA-N 0 0 419.337 4.848 50 0 HJAARN Cc1c(Cl)cnc(NC(=O)COC(=O)c2cc3c(s2)CC[C@@H](C)C3)c1Cl ZINC000003389951 568894040 /nfs/dbraw/zinc/89/40/40/568894040.db2.gz YMGQRBKBOQRJNY-SECBINFHSA-N 0 0 413.326 4.679 50 0 aggregator HJAARN O=C(Nc1ccnn1Cc1cccc(Br)c1)c1cc(Cl)ccc1F ZINC000058161402 568894598 /nfs/dbraw/zinc/89/45/98/568894598.db2.gz FKYXWNHSVGIVGO-UHFFFAOYSA-N 0 0 408.658 4.739 50 0 HJAARN COc1ccc(-n2c(SC[C@H]3CCCCO3)nnc2-c2ccccc2OC)cc1 ZINC000003401952 568896732 /nfs/dbraw/zinc/89/67/32/568896732.db2.gz MKLGKXLLEOYCIM-GOSISDBHSA-N 0 0 411.527 4.613 50 0 HJAARN O=C(CSc1ccccc1C(=O)NC1CCCC1)c1ccc(OC(F)F)cc1 ZINC000003405525 568897174 /nfs/dbraw/zinc/89/71/74/568897174.db2.gz GSOLGOBPXSPPRZ-UHFFFAOYSA-N 0 0 405.466 4.935 50 0 HJAARN O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000003428084 568900967 /nfs/dbraw/zinc/90/09/67/568900967.db2.gz BUUYJEWCWICTHU-IBGZPJMESA-N 0 0 422.868 4.569 50 0 aggregator HJAARN Cc1cccc(C)c1NC(=O)CN(C)[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 ZINC000003434024 568902329 /nfs/dbraw/zinc/90/23/29/568902329.db2.gz HNTDYSPWJDYTRV-HXUWFJFHSA-N 0 0 415.537 4.868 50 0 HJAARN C[C@@H](Sc1ncnc2sc3c(c21)CCCC3)C(=O)Nc1ccc(Cl)cn1 ZINC000003442906 568904096 /nfs/dbraw/zinc/90/40/96/568904096.db2.gz ZGSDCTPETVDIGL-SNVBAGLBSA-N 0 0 404.948 4.738 50 0 HJAARN CCN(CC(=O)NC(C)C)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000003449082 568905157 /nfs/dbraw/zinc/90/51/57/568905157.db2.gz LSCFBSLMKSSQKY-UHFFFAOYSA-N 0 0 404.963 4.619 50 0 HJAARN CCOC(=O)Cc1csc(SCc2cc(=O)oc3cc(C)c(Cl)cc23)n1 ZINC000003451043 568905777 /nfs/dbraw/zinc/90/57/77/568905777.db2.gz AENBKOIVPLSIDS-UHFFFAOYSA-N 0 0 409.916 4.609 50 0 HJAARN COc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)Nc2ccc(C)cc2)cc1 ZINC000012655928 568906894 /nfs/dbraw/zinc/90/68/94/568906894.db2.gz RXPZOJUSRSOVDG-KQWNVCNZSA-N 0 0 400.478 4.722 50 0 HJAARN Cc1ccccc1Nc1nnc(SCC(=O)N[C@@H]2CCCc3ccccc32)s1 ZINC000003465313 568907353 /nfs/dbraw/zinc/90/73/53/568907353.db2.gz ZNICEAMTDPTBDZ-GOSISDBHSA-N 0 0 410.568 4.876 50 0 aggregator HJAARN Cc1ccccc1-n1c(=O)c2ccccc2nc1SCC(=O)N1[C@H](C)CCC[C@H]1C ZINC000003469099 568907532 /nfs/dbraw/zinc/90/75/32/568907532.db2.gz GRRDDGOUJRTXMC-QZTJIDSGSA-N 0 0 421.566 4.576 50 0 HJAARN CCOC(=O)c1c2c(sc1NC(=S)Nc1cccc(C)c1)COC(C)(C)C2 ZINC000001240825 568907548 /nfs/dbraw/zinc/90/75/48/568907548.db2.gz LCYSUZQUICZXSV-UHFFFAOYSA-N 0 0 404.557 4.893 50 0 HJAARN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C)ccc1C ZINC000003481658 568908426 /nfs/dbraw/zinc/90/84/26/568908426.db2.gz UHMPLZLZUSOVQL-UHFFFAOYSA-N 0 0 408.523 4.771 50 0 HJAARN CCOC(=O)c1c2c(sc1NC(=S)Nc1ccccc1C)COC(C)(C)C2 ZINC000001253955 568908761 /nfs/dbraw/zinc/90/87/61/568908761.db2.gz MCNXXVATIKVHFX-UHFFFAOYSA-N 0 0 404.557 4.893 50 0 HJAARN CC(C)(C)NC(=O)O[C@@H]1CS[C@@H]2c3ccccc3C(=O)N2Cc2sccc21 ZINC000004108892 568909706 /nfs/dbraw/zinc/90/97/06/568909706.db2.gz PWDISRYZBGDCPW-CRAIPNDOSA-N 0 0 402.541 4.715 50 0 HJAARN CCOCCCn1c(SCc2nc3ccccc3s2)nc2ccccc2c1=O ZINC000003500248 568909928 /nfs/dbraw/zinc/90/99/28/568909928.db2.gz GUXPDSLNXQVYEN-UHFFFAOYSA-N 0 0 411.552 4.725 50 0 HJAARN Cc1ccc([C@@H](O)Cn2ccn3nc(-c4ccc(C(C)C)cc4)cc3c2=O)cc1C ZINC000263616732 568911083 /nfs/dbraw/zinc/91/10/83/568911083.db2.gz KGWIVLDZLAEUCM-DEOSSOPVSA-N 0 0 401.510 4.637 50 0 HJAARN C[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)NC1CCCC1 ZINC000003515055 568911556 /nfs/dbraw/zinc/91/15/56/568911556.db2.gz IIDWWVGHTYSASX-MRXNPFEDSA-N 0 0 404.539 4.745 50 0 HJAARN COc1ccc([C@@H]2Cn3nc(-c4nc(-c5cccc(Cl)c5)no4)cc3CO2)cc1 ZINC000263619169 568912208 /nfs/dbraw/zinc/91/22/08/568912208.db2.gz XHRQTCNNJUOCLD-IBGZPJMESA-N 0 0 408.845 4.534 50 0 HJAARN CCOc1ccc([C@H]2Cn3nc(-c4nc(-c5cccc(Cl)c5)no4)cc3CO2)cc1 ZINC000263618215 568912554 /nfs/dbraw/zinc/91/25/54/568912554.db2.gz RTTYBZLCTKOYAQ-HXUWFJFHSA-N 0 0 422.872 4.924 50 0 HJAARN O=C(c1cccs1)N1CCC(C(=O)N(Cc2ccccc2)c2ccccc2)CC1 ZINC000025731375 568913226 /nfs/dbraw/zinc/91/32/26/568913226.db2.gz LRIAZEZHUBNQHP-UHFFFAOYSA-N 0 0 404.535 4.834 50 0 HJAARN CN(C(=O)c1ccccc1C(=O)OCc1nc2ccccc2s1)c1ccccc1 ZINC000003567768 568916338 /nfs/dbraw/zinc/91/63/38/568916338.db2.gz QBFXTKFYHHXFFC-UHFFFAOYSA-N 0 0 402.475 4.930 50 0 HJAARN CC(C)CN(C(=O)Cc1ccc(N2CCCC2=O)cc1)c1nc2ccccc2s1 ZINC000012728288 568921029 /nfs/dbraw/zinc/92/10/29/568921029.db2.gz ULEOLZWOPAZAFA-UHFFFAOYSA-N 0 0 407.539 4.655 50 0 HJAARN O=C1C(=O)N(Cc2ccc3c(c2)OCO3)[C@@H](c2ccccc2F)C1c1ccccc1 ZINC000045942337 568921120 /nfs/dbraw/zinc/92/11/20/568921120.db2.gz RDJYCTACAJDLMN-QFIPXVFZSA-N 0 0 403.409 4.607 50 0 HJAARN Cn1nc(-c2ccccc2)c(COC(=O)c2ccc(Br)cc2)c1Cl ZINC000001388789 568923265 /nfs/dbraw/zinc/92/32/65/568923265.db2.gz NTVDPKXSEQARGI-UHFFFAOYSA-N 0 0 405.679 4.860 50 0 HJAARN COc1cc(NC(=O)c2c(C)onc2-c2c(F)cccc2Cl)cc(OC)c1OC ZINC000012733105 568923324 /nfs/dbraw/zinc/92/33/24/568923324.db2.gz AJEDZYBFJGBEEF-UHFFFAOYSA-N 0 0 420.824 4.721 50 0 HJAARN O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000001389903 568923408 /nfs/dbraw/zinc/92/34/08/568923408.db2.gz QPFZPXOEZDJIPK-INIZCTEOSA-N 0 0 424.309 4.569 50 0 HJAARN O=C(Nc1ccc(F)cc1F)c1cccn(Cc2c(Cl)cccc2Cl)c1=O ZINC000001391143 568924555 /nfs/dbraw/zinc/92/45/55/568924555.db2.gz NFEZGIKTCAAZLG-UHFFFAOYSA-N 0 0 409.219 4.734 50 0 HJAARN COc1cccc(C(=O)NCc2c(C)c(C)n(Cc3ccccc3)c2-n2cccc2)c1 ZINC000001398795 568925846 /nfs/dbraw/zinc/92/58/46/568925846.db2.gz GPJYRDCTXVJMRV-UHFFFAOYSA-N 0 0 413.521 4.883 50 0 HJAARN CCOc1ccc(NC(=O)c2cccn(Cc3ccc(Cl)cc3Cl)c2=O)cc1 ZINC000001397079 568926468 /nfs/dbraw/zinc/92/64/68/568926468.db2.gz XUWLWSFHOLTABO-UHFFFAOYSA-N 0 0 417.292 4.854 50 0 HJAARN COc1ccc(NC(=O)c2cnc(SC)n2-c2ccc(F)cc2)c2cccnc12 ZINC000083937478 568926631 /nfs/dbraw/zinc/92/66/31/568926631.db2.gz KDRABUOXFOOLEF-UHFFFAOYSA-N 0 0 408.458 4.542 50 0 HJAARN CCCN(CC(=O)Nc1ccccc1C)C(=O)Cc1c(C)nc2ccccc2c1C ZINC000031464277 568926661 /nfs/dbraw/zinc/92/66/61/568926661.db2.gz ORBXKSRTQWEPKN-UHFFFAOYSA-N 0 0 403.526 4.580 50 0 HJAARN O=C(NCCc1cccc(F)c1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000003816438 568926784 /nfs/dbraw/zinc/92/67/84/568926784.db2.gz KWSKZYNWERNVKZ-UHFFFAOYSA-N 0 0 411.786 4.656 50 0 HJAARN O=c1c2ccccc2nc2n1[C@@H](CSCc1cccc(C(F)(F)F)c1)CS2 ZINC000001405493 568927882 /nfs/dbraw/zinc/92/78/82/568927882.db2.gz RWPBRNPGEQOCMJ-AWEZNQCLSA-N 0 0 408.470 4.996 50 0 HJAARN O=C(CSCCOc1ccc(Cl)cc1)Nc1ccccc1Br ZINC000031729729 568929744 /nfs/dbraw/zinc/92/97/44/568929744.db2.gz XTODTQFWNKQPOX-UHFFFAOYSA-N 0 0 400.725 4.853 50 0 HJAARN CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)cc1 ZINC000031722884 568929745 /nfs/dbraw/zinc/92/97/45/568929745.db2.gz KRIQFFYTKFEPCK-UHFFFAOYSA-N 0 0 421.584 4.501 50 0 HJAARN O=C(N[C@H](c1cccs1)c1ccc(F)cc1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000012742944 568929939 /nfs/dbraw/zinc/92/99/39/568929939.db2.gz IVEKFTXKOVIUJF-CTNGQTDRSA-N 0 0 424.497 4.524 50 0 HJAARN CCCCCOc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OC ZINC000003999951 568932012 /nfs/dbraw/zinc/93/20/12/568932012.db2.gz OGLZRSRKWCTZHY-ZUSJUXBOSA-N 0 0 420.553 4.901 50 0 biogenic HJAARN CCC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(CCn5ccc(C)n5)nc4c23)C1 ZINC000002802096 568932404 /nfs/dbraw/zinc/93/24/04/568932404.db2.gz POAMBCGZDMOORV-OAHLLOKOSA-N 0 0 408.575 4.628 50 0 HJAARN COc1ccc(C(=O)[C@H](OC(=O)CCC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000004030016 568934450 /nfs/dbraw/zinc/93/44/50/568934450.db2.gz SHWSQOUBSYDQBC-RUZDIDTESA-N 0 0 402.446 4.826 50 0 biogenic HJAARN COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000004033153 568934875 /nfs/dbraw/zinc/93/48/75/568934875.db2.gz AJCPTRLOSXLZIK-UHFFFAOYSA-N 0 0 412.371 4.676 50 0 HJAARN CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)cc1 ZINC000004194947 568934927 /nfs/dbraw/zinc/93/49/27/568934927.db2.gz FGJISCXMOJMXRL-ZDUSSCGKSA-N 0 0 407.297 4.774 50 0 HJAARN Cc1cc([C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c(C)o1 ZINC000084081625 568936183 /nfs/dbraw/zinc/93/61/83/568936183.db2.gz GWHIXRGSKCXAHQ-KPZWWZAWSA-N 0 0 409.313 4.685 50 0 HJAARN COc1ccc([C@@H]2c3cccn3CCN2C(=S)Nc2cccc(C)c2C)cc1OC ZINC000004059491 568937009 /nfs/dbraw/zinc/93/70/09/568937009.db2.gz BXQKJBRRINDTRE-HSZRJFAPSA-N 0 0 421.566 4.924 50 0 HJAARN Cc1[nH]c2c(cccc2Cl)c1CCNC(=O)c1cc2cc(Cl)ccc2oc1=O ZINC000001424207 568938830 /nfs/dbraw/zinc/93/88/30/568938830.db2.gz XULVKLDMOGAGMD-UHFFFAOYSA-N 0 0 415.276 4.862 50 0 HJAARN Cc1cc(NC(=O)Cn2c3ccccc3nc2-c2cccc(Cl)c2Cl)no1 ZINC000084120053 568938980 /nfs/dbraw/zinc/93/89/80/568938980.db2.gz LVUOFRXVPGAOJE-UHFFFAOYSA-N 0 0 401.253 4.945 50 0 HJAARN COC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C ZINC000004081644 568939016 /nfs/dbraw/zinc/93/90/16/568939016.db2.gz ZHUOOEGSSFNTNP-BCSZZZCTSA-N 0 0 406.607 4.566 50 0 biogenic HJAARN CC(=O)O[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000004084092 568939528 /nfs/dbraw/zinc/93/95/28/568939528.db2.gz YFQHKGUJGTVODY-YZLSMURDSA-N 0 0 418.574 4.708 50 0 biogenic HJAARN O=C1[C@@H]2CS[C@H](c3ccc(C(F)(F)F)cc3)N2C(=S)N1c1ccc(F)cc1 ZINC000001430465 568940147 /nfs/dbraw/zinc/94/01/47/568940147.db2.gz NKINRGOHQGWRQI-GOEBONIOSA-N 0 0 412.433 4.592 50 0 HJAARN Cc1cc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc(C)c1OC(F)F ZINC000015504079 568940806 /nfs/dbraw/zinc/94/08/06/568940806.db2.gz VITBPLWWCAQDRO-JXFKEZNVSA-N 0 0 402.441 4.650 50 0 HJAARN Cc1ccc(-n2nc3c(c2NC(=O)c2cc4ccccc4oc2=O)CSC3)c(C)c1 ZINC000004087565 568941058 /nfs/dbraw/zinc/94/10/58/568941058.db2.gz IGYPQPMLCYNCQO-UHFFFAOYSA-N 0 0 417.490 4.595 50 0 HJAARN COc1ccccc1CNC(=O)Cc1c(C)c2c3oc(C)c(C)c3c(C)cc2oc1=O ZINC000004090165 568941870 /nfs/dbraw/zinc/94/18/70/568941870.db2.gz VFONUYMJFOSRHK-UHFFFAOYSA-N 0 0 419.477 4.640 50 0 biogenic HJAARN COc1cc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc(Cl)c1OC ZINC000012754108 568942127 /nfs/dbraw/zinc/94/21/27/568942127.db2.gz SPGHNITXKRYVAE-UHFFFAOYSA-N 0 0 417.918 4.819 50 0 HJAARN CCN(CC)C(=S)Oc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 ZINC000001434616 568942163 /nfs/dbraw/zinc/94/21/63/568942163.db2.gz ZFOGDNUBMRFSIS-UHFFFAOYSA-N 0 0 407.333 4.707 50 0 HJAARN CCCCCC[C@@H](NC(=O)OCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000004092784 568942429 /nfs/dbraw/zinc/94/24/29/568942429.db2.gz ZQGDYINMIMYNCY-NRFANRHFSA-N 0 0 403.544 4.992 50 0 HJAARN COc1ccc(Cn2c(=O)c3ccc[nH]c-3c2Nc2ccc(OC)c(Cl)c2)cc1 ZINC000004100600 568942615 /nfs/dbraw/zinc/94/26/15/568942615.db2.gz XFQSRPXFVYBNJL-OAQYLSRUSA-N 0 0 409.873 4.519 50 0 HJAARN Cc1cccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1 ZINC000004109813 568943953 /nfs/dbraw/zinc/94/39/53/568943953.db2.gz YDRNWUBTOCFOCT-UHFFFAOYSA-N 0 0 407.461 4.741 50 0 HJAARN O=C(COc1ccc(Cl)cc1Cl)N1CCN=C1SCc1cccc(F)c1 ZINC000004119896 568944561 /nfs/dbraw/zinc/94/45/61/568944561.db2.gz NDLPECOHOYQZKS-UHFFFAOYSA-N 0 0 413.301 4.643 50 0 HJAARN CCOc1ccc(CC(=O)N2CCN=C2SCc2c(F)cccc2Cl)cc1 ZINC000004120167 568944629 /nfs/dbraw/zinc/94/46/29/568944629.db2.gz HCSRRQJCJUBAQF-UHFFFAOYSA-N 0 0 406.910 4.552 50 0 HJAARN COC(=O)c1ccc(COc2ccc([C@H]3O[C@@H](C)CC(C)(C)O3)cc2OC)cc1 ZINC000004124557 568945201 /nfs/dbraw/zinc/94/52/01/568945201.db2.gz BOSRAXUTTJUQRJ-NYHFZMIOSA-N 0 0 400.471 4.663 50 0 HJAARN Cc1nc2cc(C(=O)Nc3ccc(NC(=O)N4CCCCCC4)cc3)ccc2n1C ZINC000084287061 568945559 /nfs/dbraw/zinc/94/55/59/568945559.db2.gz VKYHJIMVJBDBJF-UHFFFAOYSA-N 0 0 405.502 4.542 50 0 HJAARN COc1ccc(C(=O)CSc2nnc(-c3ccco3)n2-c2ccc(F)cc2)cc1 ZINC000004146014 568946475 /nfs/dbraw/zinc/94/64/75/568946475.db2.gz DSLLNVSRLPUZJV-UHFFFAOYSA-N 0 0 409.442 4.650 50 0 HJAARN COc1cccc(C(=O)CSc2nnc(-c3ccco3)n2-c2ccc(F)cc2)c1 ZINC000004145570 568946519 /nfs/dbraw/zinc/94/65/19/568946519.db2.gz BLRVLPPHELPJSN-UHFFFAOYSA-N 0 0 409.442 4.650 50 0 HJAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cc(F)cc(F)c3)C2)c2ccccc12 ZINC000012763041 568946785 /nfs/dbraw/zinc/94/67/85/568946785.db2.gz XPKRZBBKSOZJFF-HNNXBMFYSA-N 0 0 424.447 4.618 50 0 HJAARN Cc1c(-c2ccccc2)sc2ncn(CC(=O)N3CCC[C@H]4CCCC[C@H]43)c(=O)c12 ZINC000012765267 568948097 /nfs/dbraw/zinc/94/80/97/568948097.db2.gz WSWIZUZXSPDHLN-IEBWSBKVSA-N 0 0 421.566 4.615 50 0 HJAARN CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1cc2cc3c(cc2nc1Cl)OCO3 ZINC000004176560 568948766 /nfs/dbraw/zinc/94/87/66/568948766.db2.gz UCCKEXFSEVWSDE-LJQANCHMSA-N 0 0 407.857 4.623 50 0 HJAARN Fc1ccccc1-c1nnc(C2(c3cccc(Br)c3)CCOCC2)o1 ZINC000084514865 568949984 /nfs/dbraw/zinc/94/99/84/568949984.db2.gz YDFIZJLOCQSZBN-UHFFFAOYSA-N 0 0 403.251 4.735 50 0 HJAARN Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2CCC(C)CC2)c1 ZINC000004186540 568950056 /nfs/dbraw/zinc/95/00/56/568950056.db2.gz VFFQRKCOOOODJV-UHFFFAOYSA-N 0 0 420.582 4.517 50 0 HJAARN Cc1cccc(NC2=Nn3c(nnc3-c3ccccc3Br)SC2)c1C ZINC000004189858 568950296 /nfs/dbraw/zinc/95/02/96/568950296.db2.gz NHFAITMNWMGHDQ-UHFFFAOYSA-N 0 0 414.332 4.704 50 0 HJAARN Cc1ccc(-c2cc(C(=O)N3NC(C)=C[C@]3(O)C(F)(F)F)c3ccccc3n2)s1 ZINC000004199784 568951339 /nfs/dbraw/zinc/95/13/39/568951339.db2.gz UNEGEQFSZMABOE-IBGZPJMESA-N 0 0 419.428 4.744 50 0 HJAARN CC(C)CCCNc1nc(N2CCCC2)nc(N2CCC(Cc3ccccc3)CC2)n1 ZINC000004223034 568952457 /nfs/dbraw/zinc/95/24/57/568952457.db2.gz LZMVNQQNLWSDBB-UHFFFAOYSA-N 0 0 422.621 4.779 50 0 HJAARN COc1cc(NC(=O)c2cccnc2Sc2ccc(C)cc2)cc(OC)c1OC ZINC000012773348 568952961 /nfs/dbraw/zinc/95/29/61/568952961.db2.gz ZLWBHYRZUHIBRH-UHFFFAOYSA-N 0 0 410.495 4.819 50 0 HJAARN CCCCn1c(SCC(=O)c2cc(C)n(C)c2C)nnc1-c1ccc(OC)cc1 ZINC000004242054 568953323 /nfs/dbraw/zinc/95/33/23/568953323.db2.gz HJXJUOCMTXTEGI-UHFFFAOYSA-N 0 0 412.559 4.684 50 0 HJAARN COc1ccc([C@H](c2c3ccccc3n(O)c2-c2ccccc2)N2CCOCC2)cc1 ZINC000004247763 568953518 /nfs/dbraw/zinc/95/35/18/568953518.db2.gz FZNQEUJMJZGYNA-RUZDIDTESA-N 0 0 414.505 4.976 50 0 HJAARN COc1ccc(-n2c(S[C@H]3CCCCC3=O)nnc2-c2ccccc2)cc1OC ZINC000004246502 568953580 /nfs/dbraw/zinc/95/35/80/568953580.db2.gz MMYBJVYVMOLVMJ-FQEVSTJZSA-N 0 0 409.511 4.555 50 0 HJAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2cccc(Br)c2)cc1 ZINC000012775373 568954234 /nfs/dbraw/zinc/95/42/34/568954234.db2.gz APMSDWGPWLWDNR-UHFFFAOYSA-N 0 0 417.332 4.707 50 0 HJAARN C[C@@H](CNC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl)CN1CCCC1=O ZINC000084638452 568954331 /nfs/dbraw/zinc/95/43/31/568954331.db2.gz WVLUNMPDSXQXRA-JTQLQIEISA-N 0 0 418.868 4.562 50 0 HJAARN CCOc1ccccc1NC(=O)CSc1ccc2nc(-c3ccccc3)cn2n1 ZINC000004251231 568955182 /nfs/dbraw/zinc/95/51/82/568955182.db2.gz FQRBIDMAWDBGGB-UHFFFAOYSA-N 0 0 404.495 4.526 50 0 HJAARN O=C(c1ccc(Cl)cc1F)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000012783620 568959118 /nfs/dbraw/zinc/95/91/18/568959118.db2.gz FZDJLBINBFYWBN-UHFFFAOYSA-N 0 0 415.921 4.561 50 0 HJAARN COc1ccccc1[C@@H]1Oc2ccccc2C2=Nc3ncnn3[C@H](c3cccs3)C21 ZINC000004291780 568959822 /nfs/dbraw/zinc/95/98/22/568959822.db2.gz AZZQMNAVCYDKAF-YADHBBJMSA-N 0 0 414.490 4.561 50 0 HJAARN O=C(/C=C/c1ccccc1Cl)N1CCS[C@H](c2ccc3c(c2)OCO3)CC1 ZINC000219172572 568959992 /nfs/dbraw/zinc/95/99/92/568959992.db2.gz OZRSVBQNBXFNGF-IEJURRBGSA-N 0 0 401.915 4.789 50 0 HJAARN COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(NC(=O)c2ccccc2)cc1 ZINC000012786555 568960241 /nfs/dbraw/zinc/96/02/41/568960241.db2.gz IUATUSXHXCPYIX-UHFFFAOYSA-N 0 0 424.884 4.927 50 0 HJAARN O=C(C1CC1)n1nc(-c2ccco2)nc1NCc1ccc(OCc2ccccc2)cc1 ZINC000015669750 568961193 /nfs/dbraw/zinc/96/11/93/568961193.db2.gz UUSKGSRKFGDGCK-UHFFFAOYSA-N 0 0 414.465 4.779 50 0 HJAARN CCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 ZINC000004313121 568961310 /nfs/dbraw/zinc/96/13/10/568961310.db2.gz OEPZPULQLPNDNN-LJQANCHMSA-N 0 0 401.532 4.895 50 0 HJAARN Cc1ccc(NC(=O)CN2C(=O)C(c3ccc(C(C)(C)C)cc3)=NC2(C)C)cc1C ZINC000004313907 568961327 /nfs/dbraw/zinc/96/13/27/568961327.db2.gz KEMDVHIHBBGZSF-UHFFFAOYSA-N 0 0 405.542 4.607 50 0 HJAARN O=C(Nc1ccccc1)c1ccc(Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1 ZINC000004313378 568961354 /nfs/dbraw/zinc/96/13/54/568961354.db2.gz HVXVQJLQNVPFRI-UHFFFAOYSA-N 0 0 406.791 4.821 50 0 HJAARN COc1ccccc1NC(=O)c1sc2nc(N3CCCC3)c3c(c2c1N)CCCC3 ZINC000015670973 568961660 /nfs/dbraw/zinc/96/16/60/568961660.db2.gz MXACMTFGVVVLHO-UHFFFAOYSA-N 0 0 422.554 4.618 50 0 HJAARN Cc1c(C(=O)NC[C@H]2CCCO2)oc2ccc3c(c12)C(=O)CC1(CCC(C)CC1)O3 ZINC000015671843 568962348 /nfs/dbraw/zinc/96/23/48/568962348.db2.gz HEMSMWSUBWMEBJ-VICXLYDQSA-N 0 0 411.498 4.564 50 0 biogenic HJAARN CCCN1C(=O)c2cc3sccc3n2C[C@]1(C)C(=O)NC1CCCCCCC1 ZINC000015672790 568962569 /nfs/dbraw/zinc/96/25/69/568962569.db2.gz ITIPWKSBRDZBOX-JOCHJYFZSA-N 0 0 401.576 4.556 50 0 HJAARN Cc1ccc2c(c1)N(CCC(=O)NCc1ccccc1Cl)C(=O)c1cccnc1O2 ZINC000015679989 568967006 /nfs/dbraw/zinc/96/70/06/568967006.db2.gz BISZSPXASFNGET-UHFFFAOYSA-N 0 0 421.884 4.502 50 0 HJAARN CCOC(=O)c1c2c(sc1NC(=O)Cc1csc(-c3ccccc3)n1)CCC2 ZINC000007995713 568967359 /nfs/dbraw/zinc/96/73/59/568967359.db2.gz WAAFGEVTAVHRGN-UHFFFAOYSA-N 0 0 412.536 4.718 50 0 HJAARN CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccc2c(c1)OCO2 ZINC000008009866 568967991 /nfs/dbraw/zinc/96/79/91/568967991.db2.gz VTWRXZRYHVDPMW-UHFFFAOYSA-N 0 0 411.461 4.540 50 0 HJAARN O=C(CCOc1ccccc1)OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 ZINC000008008839 568968074 /nfs/dbraw/zinc/96/80/74/568968074.db2.gz ROESMRNYZMASPS-DEOSSOPVSA-N 0 0 408.425 4.946 50 0 HJAARN COCCc1ccc(-c2csc(NC(=O)COc3cccc(Cl)c3)n2)cc1 ZINC000008037709 568969891 /nfs/dbraw/zinc/96/98/91/568969891.db2.gz MLGVUDVUNOTXLZ-UHFFFAOYSA-N 0 0 402.903 4.670 50 0 HJAARN CCc1ccc([C@@H](NC(=O)c2cc(OC)c(OC)c(OC)c2)c2cccs2)cc1 ZINC000008062286 568971194 /nfs/dbraw/zinc/97/11/94/568971194.db2.gz NUNYGNCJIBEHGW-OAQYLSRUSA-N 0 0 411.523 4.856 50 0 HJAARN O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008071380 568971365 /nfs/dbraw/zinc/97/13/65/568971365.db2.gz RROILWGVVMZVGR-UYAOXDASSA-N 0 0 422.550 4.874 50 0 HJAARN O=C(NCCc1ccc2c(c1)OCCO2)[C@H](Sc1ccccc1)c1ccccc1 ZINC000008076615 568972778 /nfs/dbraw/zinc/97/27/78/568972778.db2.gz FZPKUACEECODKP-HSZRJFAPSA-N 0 0 405.519 4.650 50 0 HJAARN O=C(CSc1nnc(-c2cccs2)n1C1CC1)N[C@H]1CCCc2ccccc21 ZINC000008076442 568972803 /nfs/dbraw/zinc/97/28/03/568972803.db2.gz XZIRCLRJARPHIW-KRWDZBQOSA-N 0 0 410.568 4.627 50 0 HJAARN O=C(c1cnn(Cc2ccccc2)c1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008093848 568973634 /nfs/dbraw/zinc/97/36/34/568973634.db2.gz SFBPRXGJHUHOAI-SFHVURJKSA-N 0 0 402.523 4.561 50 0 HJAARN O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1)c1ccc2c(c1)OCCO2 ZINC000038175691 568974843 /nfs/dbraw/zinc/97/48/43/568974843.db2.gz AQQAYOPKCFULLO-UHFFFAOYSA-N 0 0 422.824 4.877 50 0 HJAARN O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccccc1C(F)(F)F ZINC000008129366 568974959 /nfs/dbraw/zinc/97/49/59/568974959.db2.gz DDOXYXXPBUEWKF-UHFFFAOYSA-N 0 0 400.404 4.943 50 0 HJAARN COc1ccc(CN(C)C(=O)c2cccc(Oc3ccccc3)c2)c(OC)c1OC ZINC000008132767 568975878 /nfs/dbraw/zinc/97/58/78/568975878.db2.gz XQEILLPNQVPNKK-UHFFFAOYSA-N 0 0 407.466 4.777 50 0 HJAARN 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O=c1[nH]ncc(NN=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)c1Cl ZINC000006143397 569014466 /nfs/dbraw/zinc/01/44/66/569014466.db2.gz LWKZLOHZMFBJPX-UHFFFAOYSA-N 0 0 423.687 4.755 50 0 HJAARN CN(C(=O)COC(=O)c1oc2ccccc2c1COc1ccccc1)C1CCCCC1 ZINC000006164595 569016009 /nfs/dbraw/zinc/01/60/09/569016009.db2.gz IJDMOXIEXZKIKW-UHFFFAOYSA-N 0 0 421.493 4.960 50 0 HJAARN COc1ccc(CNc2nc(-c3ccco3)nn2C(=O)c2cccc(Cl)c2)cc1 ZINC000006170446 569016226 /nfs/dbraw/zinc/01/62/26/569016226.db2.gz NZKAVTKBWYARRH-UHFFFAOYSA-N 0 0 408.845 4.501 50 0 HJAARN CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)Nc2nccs2)cc1 ZINC000015864396 569016504 /nfs/dbraw/zinc/01/65/04/569016504.db2.gz IAVZOSUIKKHYQR-UHFFFAOYSA-N 0 0 417.494 4.515 50 0 HJAARN CCCC(=O)Nc1nc2cc(NS(=O)(=O)c3cccc(Cl)c3C)ccc2s1 ZINC000015870439 569017211 /nfs/dbraw/zinc/01/72/11/569017211.db2.gz YYPCQHMFEBJBBO-UHFFFAOYSA-N 0 0 423.947 4.798 50 0 HJAARN Cc1ccc2[nH]c(CCc3ccc(NS(=O)(=O)c4cccc(C)c4)cc3)nc2c1 ZINC000015870718 569017398 /nfs/dbraw/zinc/01/73/98/569017398.db2.gz ZQTWYHWXHYSCMF-UHFFFAOYSA-N 0 0 405.523 4.766 50 0 HJAARN CN(C(=O)Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)c1ccccc1 ZINC000015880686 569017965 /nfs/dbraw/zinc/01/79/65/569017965.db2.gz KXVZLJGKXKNQRI-UHFFFAOYSA-N 0 0 400.891 4.646 50 0 HJAARN C[C@@H](NC(=O)Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)c1ccccc1 ZINC000015880681 569018006 /nfs/dbraw/zinc/01/80/06/569018006.db2.gz MPTQFIJXPVPJEV-CYBMUJFWSA-N 0 0 414.918 4.860 50 0 HJAARN COc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2ccc(C)cc2C)cs1 ZINC000015880761 569018071 /nfs/dbraw/zinc/01/80/71/569018071.db2.gz GVLSZNONCPPSBX-UHFFFAOYSA-N 0 0 410.499 4.594 50 0 HJAARN COc1ccc(CNC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)cc1 ZINC000015881118 569018702 /nfs/dbraw/zinc/01/87/02/569018702.db2.gz QZZQQFULDMAQOL-UHFFFAOYSA-N 0 0 417.505 4.918 50 0 HJAARN Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C(F)(F)F)cc2)cs1 ZINC000012885824 569019700 /nfs/dbraw/zinc/01/97/00/569019700.db2.gz LITHTQVKMCAXLA-UHFFFAOYSA-N 0 0 424.469 4.889 50 0 HJAARN CCc1noc(CN(C)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)n1 ZINC000012897852 569020452 /nfs/dbraw/zinc/02/04/52/569020452.db2.gz NPJSNUGLGHIEGP-UHFFFAOYSA-N 0 0 407.905 4.770 50 0 HJAARN CC[C@H](NC(=O)c1cnc2c(cnn2C(C)C)c1)c1ccc(Br)cc1 ZINC000012900490 569020716 /nfs/dbraw/zinc/02/07/16/569020716.db2.gz BNQAPHGGLDHAFG-KRWDZBQOSA-N 0 0 401.308 4.656 50 0 HJAARN COc1ccc(OC)c(C(=O)COC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1 ZINC000015910796 569020783 /nfs/dbraw/zinc/02/07/83/569020783.db2.gz GTGIOLMIPMWRIX-QHCPKHFHSA-N 0 0 422.502 4.963 50 0 HJAARN Cc1ccc(-n2c(SCc3noc(C(C)(C)C)n3)nc3ccccc3c2=O)cc1 ZINC000012907042 569021357 /nfs/dbraw/zinc/02/13/57/569021357.db2.gz ZPTHNPLVLREXLU-UHFFFAOYSA-N 0 0 406.511 4.667 50 0 HJAARN O=C(COc1ccc(F)cc1Br)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000012909943 569021456 /nfs/dbraw/zinc/02/14/56/569021456.db2.gz VJIQQIKKSNHAAH-UHFFFAOYSA-N 0 0 422.250 4.647 50 0 HJAARN Cc1cc(NC(=O)C2CC2)sc1C(=O)N[C@@H](C)c1ccccc1Br ZINC000012910731 569021522 /nfs/dbraw/zinc/02/15/22/569021522.db2.gz DJQBMAYWASDYRW-NSHDSACASA-N 0 0 407.333 4.659 50 0 HJAARN O=C(CCc1nc2ccccc2s1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000012911925 569021831 /nfs/dbraw/zinc/02/18/31/569021831.db2.gz KEVZPIWGGALXSK-SFHVURJKSA-N 0 0 408.523 4.754 50 0 HJAARN COc1ccc(Cl)cc1C(=O)Nc1ccnn1Cc1ccccc1Br ZINC000012921469 569023062 /nfs/dbraw/zinc/02/30/62/569023062.db2.gz SFIADPDIXQQZCY-UHFFFAOYSA-N 0 0 420.694 4.608 50 0 HJAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(F)cc1Cl ZINC000015961954 569024799 /nfs/dbraw/zinc/02/47/99/569024799.db2.gz UECSBINTBOQIEZ-UHFFFAOYSA-N 0 0 402.775 4.587 50 0 HJAARN COc1ccccc1C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000016002239 569025470 /nfs/dbraw/zinc/02/54/70/569025470.db2.gz JRWLQOHCBKJUPC-XMMPIXPASA-N 0 0 403.478 4.500 50 0 HJAARN CCCc1ccc(-c2csc(NC(=O)COc3ccc4c(c3)CCC(=O)N4)n2)cc1 ZINC000012935663 569026643 /nfs/dbraw/zinc/02/66/43/569026643.db2.gz IBTSMDDWVUDNQH-UHFFFAOYSA-N 0 0 421.522 4.665 50 0 HJAARN C[C@H](NC(=O)CSC1=N[C@@H](C(F)(F)F)C[C@@H](c2ccccc2)N1)c1ccccc1 ZINC000020038233 569031026 /nfs/dbraw/zinc/03/10/26/569031026.db2.gz KLTKPYODGQZHHJ-JCGIZDLHSA-N 0 0 421.488 4.619 50 0 HJAARN O=C(NC[C@@H](c1ccsc1)n1cccn1)C1c2ccccc2Oc2ccccc21 ZINC000575613469 569032680 /nfs/dbraw/zinc/03/26/80/569032680.db2.gz HWYJRPCIGIGZBR-IBGZPJMESA-N 0 0 401.491 4.588 50 0 HJAARN COCc1nn2c(nc(-c3ccco3)c3c2CC[C@@H](C)C3)c1-c1ccc(OC)cc1 ZINC000035326078 569032802 /nfs/dbraw/zinc/03/28/02/569032802.db2.gz WWUDCKUTFDTDMB-OAHLLOKOSA-N 0 0 403.482 4.936 50 0 HJAARN COCc1nn2c(nc(-c3ccco3)c3c2CC[C@H](C)C3)c1-c1ccc(OC)cc1 ZINC000035326083 569032818 /nfs/dbraw/zinc/03/28/18/569032818.db2.gz WWUDCKUTFDTDMB-HNNXBMFYSA-N 0 0 403.482 4.936 50 0 HJAARN CC(=O)c1c(C)[nH]c(C(=O)OCc2nnc(-c3ccc(Cl)cc3Cl)o2)c1C ZINC000063874007 569033227 /nfs/dbraw/zinc/03/32/27/569033227.db2.gz BIZGWWIWAUCTBD-UHFFFAOYSA-N 0 0 408.241 4.548 50 0 HJAARN Cc1ccc(CN2C(=O)COc3ccc(C(=O)Nc4cc(C)ccc4C)cc32)cc1 ZINC000035377480 569034436 /nfs/dbraw/zinc/03/44/36/569034436.db2.gz IGJMQFKRNJLZCX-UHFFFAOYSA-N 0 0 400.478 4.790 50 0 HJAARN O=C(NC1CCCCCCC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)CO2 ZINC000035377547 569034450 /nfs/dbraw/zinc/03/44/50/569034450.db2.gz VLHKNKIYOIWOEG-UHFFFAOYSA-N 0 0 410.489 4.594 50 0 HJAARN CCc1ccc(NC(=O)C2CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)cc1 ZINC000035398489 569035132 /nfs/dbraw/zinc/03/51/32/569035132.db2.gz MECJTOSDWKRECV-UHFFFAOYSA-N 0 0 400.526 4.870 50 0 HJAARN CCOc1ccc(NC(=O)C2CCN(c3ccc(-c4ccc(C)cc4)nn3)CC2)cc1 ZINC000035398498 569035237 /nfs/dbraw/zinc/03/52/37/569035237.db2.gz MVUFDQGBKYGYLF-UHFFFAOYSA-N 0 0 416.525 4.706 50 0 HJAARN CCOc1ccc(C(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc1 ZINC000035399484 569035380 /nfs/dbraw/zinc/03/53/80/569035380.db2.gz ZNGWQXMKOUYHLS-UHFFFAOYSA-N 0 0 405.473 4.572 50 0 biogenic HJAARN COc1ccc2c(c1)NC1(CCN(C(=O)CSc3ccccc3)CC1)c1cccn1-2 ZINC000035399538 569035381 /nfs/dbraw/zinc/03/53/81/569035381.db2.gz JJEAEICKMSJOFC-UHFFFAOYSA-N 0 0 419.550 4.521 50 0 biogenic HJAARN Cc1ccc(-n2cc(C3=CCN(CC(=O)Nc4cccc(Cl)c4)CC3)cn2)cc1 ZINC000035403690 569035599 /nfs/dbraw/zinc/03/55/99/569035599.db2.gz QBAOCZRMLDMYLT-UHFFFAOYSA-N 0 0 406.917 4.562 50 0 HJAARN Cc1cc(C)n([C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)c2ccco2)n1 ZINC000575614580 569036001 /nfs/dbraw/zinc/03/60/01/569036001.db2.gz XOJCMFDTMQLBQG-FQEVSTJZSA-N 0 0 411.933 4.964 50 0 HJAARN O=c1c2c3c(sc2[nH]c(=S)n1-c1ccc(Cc2ccncc2)cc1)CCCCC3 ZINC000006276568 569036727 /nfs/dbraw/zinc/03/67/27/569036727.db2.gz LULFGDNGLMHXHC-UHFFFAOYSA-N 0 0 419.575 4.991 50 0 HJAARN O=C(NCc1ccc(Cl)cc1)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 ZINC000575616430 569036743 /nfs/dbraw/zinc/03/67/43/569036743.db2.gz ZMDUSWRQHLSPGE-UHFFFAOYSA-N 0 0 423.948 4.753 50 0 HJAARN COc1ccccc1NC(=O)C1CCN(c2nc(-c3ccc(C(C)C)cc3)no2)CC1 ZINC000035447395 569037389 /nfs/dbraw/zinc/03/73/89/569037389.db2.gz NCOUVJOSRDBXEB-UHFFFAOYSA-N 0 0 420.513 4.724 50 0 HJAARN C[C@H](Cc1ccco1)NC(=O)c1ccccc1NC(=O)c1nsc2ccccc21 ZINC000035447702 569037430 /nfs/dbraw/zinc/03/74/30/569037430.db2.gz NFYRLDHOXXFUAI-CQSZACIVSA-N 0 0 405.479 4.503 50 0 HJAARN CCCSCCCNC(=O)c1cccc(NC(=O)c2nsc3ccccc32)c1 ZINC000035447615 569037441 /nfs/dbraw/zinc/03/74/41/569037441.db2.gz WIBBRDHYONZPFR-UHFFFAOYSA-N 0 0 413.568 4.812 50 0 HJAARN O=C(NC(c1ccccc1)c1ccccc1)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000006288999 569037664 /nfs/dbraw/zinc/03/76/64/569037664.db2.gz DCVSJNDUKGOZNK-UHFFFAOYSA-N 0 0 423.516 4.642 50 0 HJAARN Cc1ccsc1-c1nc(-c2ccc3c(c2)ncn3CCC(=O)N2CCCCC2)no1 ZINC000035460262 569038147 /nfs/dbraw/zinc/03/81/47/569038147.db2.gz KWLWXPLFMFAISA-UHFFFAOYSA-N 0 0 421.526 4.526 50 0 HJAARN COc1ccc(-n2c(=O)c3c([nH]c2=S)sc2c3CCCCCC2)c(OC)c1 ZINC000006294820 569038239 /nfs/dbraw/zinc/03/82/39/569038239.db2.gz YTURCSYGSKQOMI-UHFFFAOYSA-N 0 0 402.541 4.786 50 0 HJAARN COC(=O)c1c(NC(=O)N2CCC[C@H]2c2ccc(F)cc2)sc2c1CCCC2 ZINC000035476544 569038299 /nfs/dbraw/zinc/03/82/99/569038299.db2.gz GOJJZKYUPUENHJ-INIZCTEOSA-N 0 0 402.491 4.922 50 0 HJAARN Cc1nc(COc2ccc(Cl)c(C)c2)sc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000035476297 569038471 /nfs/dbraw/zinc/03/84/71/569038471.db2.gz FMXJXSGASAPRLG-UHFFFAOYSA-N 0 0 416.886 4.973 50 0 HJAARN Cc1nc(COc2ccc(Cl)c(C)c2)sc1C(=O)Nc1nnc(C2CC2)s1 ZINC000035476302 569038489 /nfs/dbraw/zinc/03/84/89/569038489.db2.gz TYDDLVILNBGFFW-UHFFFAOYSA-N 0 0 420.947 4.974 50 0 HJAARN O=C(NCCc1csc2nc(-c3cccs3)nn12)c1cccc(C(F)(F)F)c1 ZINC000009569543 569039191 /nfs/dbraw/zinc/03/91/91/569039191.db2.gz SKGIZRWXDHKLSI-UHFFFAOYSA-N 0 0 422.457 4.511 50 0 HJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C(=O)N1c1ccccc1F ZINC000226932002 569039939 /nfs/dbraw/zinc/03/99/39/569039939.db2.gz HVUFVBBWSSEYOL-PCCBWWKXSA-N 0 0 422.843 4.530 50 0 HJAARN Cc1ccccc1Cn1ccnc1CN(Cc1ccco1)C(=O)c1ccccc1F ZINC000006689560 569040934 /nfs/dbraw/zinc/04/09/34/569040934.db2.gz DQTVUKMCMXTTQA-UHFFFAOYSA-N 0 0 403.457 4.815 50 0 HJAARN COc1ccc(NC(=O)CCc2nc3cccnc3n2-c2ccccc2)cc1Cl ZINC000006737641 569041593 /nfs/dbraw/zinc/04/15/93/569041593.db2.gz ZIFFIHAQOFLHMK-UHFFFAOYSA-N 0 0 406.873 4.654 50 0 HJAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OCc3ccc4c(c3)OCO4)cc12 ZINC000035509877 569041791 /nfs/dbraw/zinc/04/17/91/569041791.db2.gz FTILZOORYFTPNT-UHFFFAOYSA-N 0 0 410.426 4.620 50 0 HJAARN COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3Cl)C2)c2ccccc12 ZINC000012978030 569042482 /nfs/dbraw/zinc/04/24/82/569042482.db2.gz IGTYFLQBDIEDOB-INIZCTEOSA-N 0 0 422.912 4.993 50 0 HJAARN Cc1onc(-c2ccc(F)cc2F)c1C(=O)NCc1ccccc1Br ZINC000035536243 569043551 /nfs/dbraw/zinc/04/35/51/569043551.db2.gz JXSFKOHGPNBXEZ-UHFFFAOYSA-N 0 0 407.214 4.621 50 0 HJAARN Cc1ccc(CCNC(=O)CC2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000035528857 569044099 /nfs/dbraw/zinc/04/40/99/569044099.db2.gz WJHYNMXNOKAPIP-UHFFFAOYSA-N 0 0 413.949 4.641 50 0 HJAARN O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H](c2nnc(Cc3ccc(F)cc3)o2)C1 ZINC000035596965 569045650 /nfs/dbraw/zinc/04/56/50/569045650.db2.gz SXHNADDDWNRSOR-OAHLLOKOSA-N 0 0 414.868 4.864 50 0 HJAARN CN(Cc1ccco1)C(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc21 ZINC000006365056 569045969 /nfs/dbraw/zinc/04/59/69/569045969.db2.gz WGQNZMPRHQJQBJ-UHFFFAOYSA-N 0 0 413.499 4.841 50 0 HJAARN C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000035600921 569046196 /nfs/dbraw/zinc/04/61/96/569046196.db2.gz DQZANKNRDMSXIM-UWVGGRQHSA-N 0 0 402.766 4.960 50 0 HJAARN COc1ccccc1Nc1c(-c2cc(Br)ccc2O)nc2cnccn21 ZINC000035622648 569046581 /nfs/dbraw/zinc/04/65/81/569046581.db2.gz BTRWZYCAKXCSBR-UHFFFAOYSA-N 0 0 411.259 4.617 50 0 HJAARN O=C(NCc1cccs1)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc21 ZINC000006402989 569046834 /nfs/dbraw/zinc/04/68/34/569046834.db2.gz KHOIGYZPCUTPCY-UHFFFAOYSA-N 0 0 402.475 4.665 50 0 HJAARN COc1ccc([C@H](C)NC(=O)/C=C/c2ccc(OCc3ccccn3)cc2)cc1F ZINC000040079654 569048016 /nfs/dbraw/zinc/04/80/16/569048016.db2.gz AGXMMDIALPGLMN-YJJOXIQCSA-N 0 0 406.457 4.699 50 0 HJAARN O=C(/C=C/c1ccccc1OC(F)F)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000040150956 569048158 /nfs/dbraw/zinc/04/81/58/569048158.db2.gz CAYVYWDWFNJKHI-SDNWHVSQSA-N 0 0 400.425 4.612 50 0 HJAARN O=C(/C=C/c1ccc(C(F)(F)F)cc1)Nc1cccc(OCCn2ccnc2)c1 ZINC000040134879 569048175 /nfs/dbraw/zinc/04/81/75/569048175.db2.gz NPJZKVNVESNKIG-RMKNXTFCSA-N 0 0 401.388 4.633 50 0 HJAARN Cc1c(C(=O)Nc2ccc(C)c(C)c2)sc2ncn(Cc3ccccc3)c(=O)c12 ZINC000035672057 569048557 /nfs/dbraw/zinc/04/85/57/569048557.db2.gz QENAKQIGHBLZSG-UHFFFAOYSA-N 0 0 403.507 4.684 50 0 HJAARN Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000013008543 569049818 /nfs/dbraw/zinc/04/98/18/569049818.db2.gz OJPSUDSHIXDYOT-UHFFFAOYSA-N 0 0 421.353 4.929 50 0 HJAARN CCCn1c(S[C@@H](C)c2nc(C(C)C)no2)nc2sc3c(c2c1=O)CCC3 ZINC000013009276 569049979 /nfs/dbraw/zinc/04/99/79/569049979.db2.gz BZGNPAPXKGADKB-NSHDSACASA-N 0 0 404.561 4.716 50 0 HJAARN CN(Cc1ccc(OC(F)F)cc1)C(=O)NCc1ccccc1OC(F)(F)F ZINC000013010374 569050068 /nfs/dbraw/zinc/05/00/68/569050068.db2.gz XBVAAEVOPJWRRQ-UHFFFAOYSA-N 0 0 404.335 4.528 50 0 HJAARN CCc1ccccc1NC=C1c2ccccc2C(=O)N(Cc2ccc(OC)cc2)C1=O ZINC000103003966 569050320 /nfs/dbraw/zinc/05/03/20/569050320.db2.gz KPYUCFKBKYOTCL-XQNSMLJCSA-N 0 0 412.489 4.893 50 0 HJAARN CCCCc1cc(=O)oc2cc(OCC(=O)c3ccc4c(c3)OCCCO4)ccc12 ZINC000035686472 569050666 /nfs/dbraw/zinc/05/06/66/569050666.db2.gz JQJCZNZQGFYNSB-UHFFFAOYSA-N 0 0 408.450 4.559 50 0 HJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2SCC(=O)N2C[C@@H]2CCCO2)cc1 ZINC000013013743 569050966 /nfs/dbraw/zinc/05/09/66/569050966.db2.gz OJFNMYQBRXBWEC-RDPSFJRHSA-N 0 0 419.550 4.601 50 0 HJAARN COCCCn1c(S[C@H](C)c2nc(C(C)C)no2)nnc1-c1ccc(Cl)cc1 ZINC000013023687 569051308 /nfs/dbraw/zinc/05/13/08/569051308.db2.gz WSRVYNPZUPGPIY-CYBMUJFWSA-N 0 0 421.954 4.995 50 0 HJAARN COC(=O)c1c(NC(=O)CCCOc2cccc(C)c2)sc2c1CC[C@H](C)C2 ZINC000001773766 569052470 /nfs/dbraw/zinc/05/24/70/569052470.db2.gz UYULZLGMDUOJOH-HNNXBMFYSA-N 0 0 401.528 4.766 50 0 HJAARN FC(F)(F)c1nc2ccccc2c(SCc2nnc(Cc3ccccc3)o2)n1 ZINC000064308421 569052594 /nfs/dbraw/zinc/05/25/94/569052594.db2.gz LLBROJQLYBZHST-UHFFFAOYSA-N 0 0 402.401 4.915 50 0 HJAARN 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CC[C@@H](C)N1Cc2cc(NC(=O)c3ccc(Cl)cc3)ccc2O[C@@H](CC)C1=O ZINC000035873704 569064292 /nfs/dbraw/zinc/06/42/92/569064292.db2.gz RMDGHKGTOOKQRY-KUHUBIRLSA-N 0 0 400.906 4.890 50 0 HJAARN CC[C@@H]1Oc2ccc(NC(=O)CC(C)(C)C)cc2CN(Cc2ccc(F)cc2)C1=O ZINC000035883981 569064557 /nfs/dbraw/zinc/06/45/57/569064557.db2.gz RLEPJIRJMBMPQY-FQEVSTJZSA-N 0 0 412.505 4.900 50 0 HJAARN CC(C)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1 ZINC000006540824 569064727 /nfs/dbraw/zinc/06/47/27/569064727.db2.gz XXTCHENURXSURJ-UHFFFAOYSA-N 0 0 420.962 4.890 50 0 HJAARN COc1cc(CN(C)C(=O)Cc2coc3cc4c(cc23)CCC4)ccc1OC(F)F ZINC000006548745 569064837 /nfs/dbraw/zinc/06/48/37/569064837.db2.gz FLIJVVCLWLQBDJ-UHFFFAOYSA-N 0 0 415.436 4.733 50 0 HJAARN COC[C@@H](C)n1c(C)cc(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c1C ZINC000006549568 569064896 /nfs/dbraw/zinc/06/48/96/569064896.db2.gz CWNUXJZWVOPMRF-MRXNPFEDSA-N 0 0 424.570 4.745 50 0 HJAARN Cc1ccc(NC(=O)CSCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c(C)c1 ZINC000006549967 569064981 /nfs/dbraw/zinc/06/49/81/569064981.db2.gz DYROVZBFHLDQET-QZGUCNERSA-N 0 0 414.615 4.696 50 0 HJAARN CC(C)c1nc2sc3c(c2c(N2CCN(C(=O)c4ccco4)CC2)n1)CCCCC3 ZINC000035892494 569065024 /nfs/dbraw/zinc/06/50/24/569065024.db2.gz NDLSDNOKHDEGMW-UHFFFAOYSA-N 0 0 424.570 4.639 50 0 HJAARN CC[C@@H](C)Oc1cccc2c1cc(C(=O)N1CCN(CC)CC1)n2Cc1ccccc1 ZINC000035908488 569065447 /nfs/dbraw/zinc/06/54/47/569065447.db2.gz MSOHNOWWNOFBOQ-HXUWFJFHSA-N 0 0 419.569 4.645 50 0 HJAARN CCOc1ccc(OCCOC(=O)c2c3ccccc3nc3c2C[C@@H](C)CC3)cc1 ZINC000006553031 569065531 /nfs/dbraw/zinc/06/55/31/569065531.db2.gz BVUTWBYNZQWFNK-KRWDZBQOSA-N 0 0 405.494 4.994 50 0 HJAARN COc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccc(F)cc3)cc2)cc1 ZINC000035910128 569065877 /nfs/dbraw/zinc/06/58/77/569065877.db2.gz UTRRZECIPWNOEZ-QHCPKHFHSA-N 0 0 422.481 4.865 50 0 HJAARN O=C(COCc1ccccc1)Nc1nnc(SCc2cccc(Cl)c2)s1 ZINC000035912960 569066025 /nfs/dbraw/zinc/06/60/25/569066025.db2.gz KUQKYBTVHBJGLN-UHFFFAOYSA-N 0 0 405.932 4.639 50 0 HJAARN CC(=O)N1N=C(c2ccccc2F)O[C@H]1c1cccc(NC(=O)c2ccc(C)cc2)c1 ZINC000064567843 569067438 /nfs/dbraw/zinc/06/74/38/569067438.db2.gz DDVLZRLQBBQDMU-DEOSSOPVSA-N 0 0 417.440 4.626 50 0 HJAARN CCC(Nc1ccc(Nc2ccccc2)cc1)=C1C(=O)N(CC)C(=S)N(CC)C1=O ZINC000006585243 569068033 /nfs/dbraw/zinc/06/80/33/569068033.db2.gz TUVMHRWEHNQGLE-UHFFFAOYSA-N 0 0 422.554 4.502 50 0 HJAARN C[C@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)N(C)Cc1ccco1 ZINC000006590711 569068666 /nfs/dbraw/zinc/06/86/66/569068666.db2.gz HYOALTIIPLKNOY-MRXNPFEDSA-N 0 0 405.523 4.939 50 0 HJAARN O=C(COc1nnc(-c2ccccc2)c2ccccc21)NC12CC3CC(CC(C3)C1)C2 ZINC000006598176 569069327 /nfs/dbraw/zinc/06/93/27/569069327.db2.gz YJNMNCIMYLLBMH-UHFFFAOYSA-N 0 0 413.521 4.761 50 0 HJAARN CC(C)CN(Cc1c(-c2ccccc2)nn(C)c1N(C)C)C(=O)c1ccccc1F ZINC000035970060 569069356 /nfs/dbraw/zinc/06/93/56/569069356.db2.gz SSHVTGHDPPOKRC-UHFFFAOYSA-N 0 0 408.521 4.591 50 0 HJAARN CCC(=O)N(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000035977923 569069736 /nfs/dbraw/zinc/06/97/36/569069736.db2.gz DUGAMHZZYMGVLH-NRFANRHFSA-N 0 0 419.525 4.797 50 0 HJAARN CCNC(=O)N(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C1CC1 ZINC000035978182 569069738 /nfs/dbraw/zinc/06/97/38/569069738.db2.gz PXWVEDVAMJKTPN-UHFFFAOYSA-N 0 0 404.514 4.921 50 0 HJAARN CC[C@@H](C)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000006602200 569069974 /nfs/dbraw/zinc/06/99/74/569069974.db2.gz RFVNMFOWKOEEMM-QGZVFWFLSA-N 0 0 410.539 4.613 50 0 HJAARN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1cnn(-c2nccs2)c1 ZINC000089562762 569070324 /nfs/dbraw/zinc/07/03/24/569070324.db2.gz PEKGSGVTIWDCGV-UHFFFAOYSA-N 0 0 401.904 4.666 50 0 HJAARN CCc1nc2sc([C@H](c3cccc(Cl)c3)[N@H+]3C[C@H](C)C[C@H](C)C3)c([O-])n2n1 ZINC000016690099 569070655 /nfs/dbraw/zinc/07/06/55/569070655.db2.gz KNQFVMFTIGUJOB-AHIWAGSCSA-N 0 0 404.967 4.780 50 0 HJAARN CCc1nc2sc([C@@H](c3ccc(C(F)(F)F)cc3)[N@@H+]3CCC[C@@H](C)C3)c([O-])n2n1 ZINC000016690049 569070658 /nfs/dbraw/zinc/07/06/58/569070658.db2.gz FBNLDIQREBTOAP-MLGOLLRUSA-N 0 0 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CCOc1ccccc1NC(=O)c1csc(-c2ccc(N3CCCCC3)nc2)n1 ZINC000065165382 569189548 /nfs/dbraw/zinc/18/95/48/569189548.db2.gz MQQPQBPYNWTSBB-UHFFFAOYSA-N 0 0 408.527 4.846 50 0 HJAARN Cc1ccc(-c2nnc(Cc3nc(-c4ccc(Br)cc4)no3)o2)cc1C ZINC000065185472 569191697 /nfs/dbraw/zinc/19/16/97/569191697.db2.gz PMBIZAZGSAXQGL-UHFFFAOYSA-N 0 0 411.259 4.757 50 0 HJAARN Cc1ccc(-c2nnc(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)o2)cc1F ZINC000065185428 569191708 /nfs/dbraw/zinc/19/17/08/569191708.db2.gz GLPSRIVYDWFDLI-UHFFFAOYSA-N 0 0 404.323 4.844 50 0 HJAARN C[C@@H](NC(=O)CSc1ccc(-c2nc(-c3ccccc3)no2)cn1)c1ccccc1 ZINC000065185808 569191948 /nfs/dbraw/zinc/19/19/48/569191948.db2.gz ADJXMAKWCQDFFW-MRXNPFEDSA-N 0 0 416.506 4.768 50 0 HJAARN COc1ccc([C@H](NC(=O)CSc2nc3ccccc3n2C)c2ccccc2)cc1 ZINC000006972454 569192322 /nfs/dbraw/zinc/19/23/22/569192322.db2.gz OJOUPKPAUHQHIQ-HSZRJFAPSA-N 0 0 417.534 4.580 50 0 HJAARN Cc1cc(-c2nnc(-c3cccs3)o2)c(C)n1CC(=O)NCc1ccccc1C ZINC000065194848 569192886 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/nfs/dbraw/zinc/19/92/46/569199246.db2.gz PBVQITPSXCTCRY-UHFFFAOYSA-N 0 0 401.923 4.533 50 0 HJAARN CC(=O)c1cccc(NC(=O)c2cc(C3CC3)nc3c2cnn3-c2ccccc2F)c1 ZINC000036616959 569207832 /nfs/dbraw/zinc/20/78/32/569207832.db2.gz QRZCKGMMLQDFIT-UHFFFAOYSA-N 0 0 414.440 4.892 50 0 HJAARN Cc1nc(SCC(=O)N(C)Cc2nc3ccccc3s2)n(C2CCCC2)c1C ZINC000007030816 569208751 /nfs/dbraw/zinc/20/87/51/569208751.db2.gz BKKSIBQMFKWHRD-UHFFFAOYSA-N 0 0 414.600 4.975 50 0 HJAARN Cc1nn(C)cc1-c1nn(-c2ccc(Cl)cc2Cl)c(-c2cn(C)nc2C)c1C ZINC000036611645 569208797 /nfs/dbraw/zinc/20/87/97/569208797.db2.gz KTZHSSBWTGRWBJ-UHFFFAOYSA-N 0 0 415.328 4.905 50 0 HJAARN CCn1ccc(-c2cc(C(=O)N[C@@H](C)c3ccc(C)cc3C)c3c(C)noc3n2)n1 ZINC000036617997 569209812 /nfs/dbraw/zinc/20/98/12/569209812.db2.gz BTVHXDFALGTIEZ-HNNXBMFYSA-N 0 0 403.486 4.522 50 0 HJAARN CC(C)N1c2ccc(NC(=O)Cc3ccsc3)cc2Sc2ncccc2C1=O ZINC000065258580 569210338 /nfs/dbraw/zinc/21/03/38/569210338.db2.gz QNUVKUJDWROUAU-UHFFFAOYSA-N 0 0 409.536 4.844 50 0 HJAARN COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cccc(C)c3C)oc21 ZINC000013138861 569211577 /nfs/dbraw/zinc/21/15/77/569211577.db2.gz FTKWEKDXBQWKIM-FLFQWRMESA-N 0 0 405.479 4.999 50 0 HJAARN CN(C)C(=O)c1cc(NC(=O)C[C@@H](c2ccc(Cl)cc2)n2cccc2)ccc1F ZINC000524732505 569213247 /nfs/dbraw/zinc/21/32/47/569213247.db2.gz KQNILBKGQLAZAH-FQEVSTJZSA-N 0 0 413.880 4.601 50 0 HJAARN COc1ccc(CC(=O)Oc2ccc3cc(Br)ccc3c2)cc1OC ZINC000007058519 569214584 /nfs/dbraw/zinc/21/45/84/569214584.db2.gz UMYNIDXNKRKFPP-UHFFFAOYSA-N 0 0 401.256 4.768 50 0 HJAARN O=C(Nc1ccc(N2CCN(c3ccccc3)C2=O)nc1)c1cc(Cl)ccc1F ZINC000065272326 569215670 /nfs/dbraw/zinc/21/56/70/569215670.db2.gz ANNJNVGDEQIMQS-UHFFFAOYSA-N 0 0 410.836 4.573 50 0 HJAARN CC(=O)Nc1ccc(C(=O)COC(=O)c2c3ccccc3nc3c2CCCCC3)cc1 ZINC000007063016 569217099 /nfs/dbraw/zinc/21/70/99/569217099.db2.gz XAZKFZLOQHQJTL-UHFFFAOYSA-N 0 0 416.477 4.502 50 0 HJAARN Cc1cnc(NC(=O)c2ccc(COc3ccc4c(C)cc(=O)oc4c3)cc2)s1 ZINC000007063947 569217101 /nfs/dbraw/zinc/21/71/01/569217101.db2.gz 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C[C@@H]1CCc2sc(-c3nnc(SCC(=O)c4ccc5c(c4)OCO5)o3)cc2C1 ZINC000007129838 569224564 /nfs/dbraw/zinc/22/45/64/569224564.db2.gz KSMDRCOLJKXSEY-LLVKDONJSA-N 0 0 414.508 4.627 50 0 HJAARN C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@@H](c1ccccc1)c1ccccn1 ZINC000036714897 569224665 /nfs/dbraw/zinc/22/46/65/569224665.db2.gz VWQAONUIKMZWIX-QRWLVFNGSA-N 0 0 411.299 4.517 50 0 HJAARN CCNC(=O)c1cccc(Nc2c(-c3ccc(SC)cc3)nc3cnccn32)c1 ZINC000065322620 569224679 /nfs/dbraw/zinc/22/46/79/569224679.db2.gz JBESORWQSCQVBI-UHFFFAOYSA-N 0 0 403.511 4.612 50 0 HJAARN COc1nn(C)cc1C(=O)N(Cc1ccccc1)c1nc2c(cc(C)cc2C)s1 ZINC000036712099 569225399 /nfs/dbraw/zinc/22/53/99/569225399.db2.gz JUEULEMZCOYBCG-UHFFFAOYSA-N 0 0 406.511 4.502 50 0 HJAARN CC(C)[C@@H](NC(=O)c1cc(F)ccc1Br)c1ccc2c(c1)OCCCO2 ZINC000036729615 569226536 /nfs/dbraw/zinc/22/65/36/569226536.db2.gz DOQCKZUKSCABCA-LJQANCHMSA-N 0 0 422.294 4.877 50 0 HJAARN O=C(c1cnc(OC2CCOCC2)c(Cl)c1)N(Cc1ccccc1)c1ccccn1 ZINC000238887318 569227523 /nfs/dbraw/zinc/22/75/23/569227523.db2.gz QEZUKDPVDMPSSB-UHFFFAOYSA-N 0 0 423.900 4.535 50 0 HJAARN COc1cccc(C(=O)O[C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)c1OC ZINC000007181105 569227729 /nfs/dbraw/zinc/22/77/29/569227729.db2.gz NVNVECJCTMSONV-QHCPKHFHSA-N 0 0 415.445 4.966 50 0 HJAARN C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)NC1CCCCCC1 ZINC000007201912 569228648 /nfs/dbraw/zinc/22/86/48/569228648.db2.gz GGGHAHWWLUEUIV-INIZCTEOSA-N 0 0 410.543 4.847 50 0 HJAARN O=C(CSc1nc2ccccc2[nH]1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007221319 569229382 /nfs/dbraw/zinc/22/93/82/569229382.db2.gz XFBDQLMHIBNFQV-AWEZNQCLSA-N 0 0 408.552 4.671 50 0 HJAARN CCCc1nc(C(C)(C)NC(=O)c2sc(-c3ccc(Cl)s3)nc2C)no1 ZINC000065434543 569229956 /nfs/dbraw/zinc/22/99/56/569229956.db2.gz NBXLWDDEIPPOOH-UHFFFAOYSA-N 0 0 410.952 4.834 50 0 HJAARN CN(C(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)C1CCCCC1 ZINC000007238947 569230200 /nfs/dbraw/zinc/23/02/00/569230200.db2.gz IFULPOSXEKKTKU-UHFFFAOYSA-N 0 0 424.545 4.957 50 0 HJAARN Cc1nc(CCNC(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cs1 ZINC000065492832 569232333 /nfs/dbraw/zinc/23/23/33/569232333.db2.gz PGNOUTKFYNHLLO-UHFFFAOYSA-N 0 0 420.991 4.846 50 0 HJAARN O=C(c1[nH]nc(C2CC2)c1Br)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000065518982 569233540 /nfs/dbraw/zinc/23/35/40/569233540.db2.gz NHVYDKFTIXMWQX-UHFFFAOYSA-N 0 0 412.690 4.647 50 0 HJAARN Cc1ccc(C)n1NC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccccc2Cl)cc1 ZINC000007302003 569232806 /nfs/dbraw/zinc/23/28/06/569232806.db2.gz CWRAZTKRCPRBSC-MRXNPFEDSA-N 0 0 411.889 4.548 50 0 HJAARN CCCNc1c2ccccc2oc(=O)c1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000007363340 569235386 /nfs/dbraw/zinc/23/53/86/569235386.db2.gz JHAVFVHXVYUDSJ-UHFFFAOYSA-N 0 0 414.527 4.713 50 0 HJAARN C[C@H](NC(=O)c1ccoc1)C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000065562493 569235751 /nfs/dbraw/zinc/23/57/51/569235751.db2.gz CGDGFPOSRJMAGR-ZDUSSCGKSA-N 0 0 417.292 4.611 50 0 HJAARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)C1c2ccccc2Oc2ccccc21 ZINC000007405407 569236790 /nfs/dbraw/zinc/23/67/90/569236790.db2.gz RXQVETUKJPCDES-UHFFFAOYSA-N 0 0 400.478 4.638 50 0 HJAARN Cc1sc2nc(SCC(=O)N(C)C3CCC(C)CC3)n(C(C)C)c(=O)c2c1C ZINC000007437092 569238883 /nfs/dbraw/zinc/23/88/83/569238883.db2.gz QZMMQJWWMVZFCE-UHFFFAOYSA-N 0 0 421.632 4.785 50 0 HJAARN O=C(Nc1ccccc1SC1CCCC1)N[C@@H](Cn1cncn1)c1ccccc1 ZINC000065622804 569239098 /nfs/dbraw/zinc/23/90/98/569239098.db2.gz DAQGMAZRVKVPOC-FQEVSTJZSA-N 0 0 407.543 4.876 50 0 HJAARN CCOC(=O)Cc1csc(Sc2ncnc3sc4c(c32)CC[C@@H](C)C4)n1 ZINC000007466938 569240001 /nfs/dbraw/zinc/24/00/01/569240001.db2.gz ZMWAJRANFRPVQY-SNVBAGLBSA-N 0 0 405.570 4.529 50 0 HJAARN Cc1ccc(-c2nc(SCC(=O)Nc3ccc(N4CCCCCC4)cc3)n[nH]2)cc1 ZINC000007485659 569240807 /nfs/dbraw/zinc/24/08/07/569240807.db2.gz WHNCGXSTBPESKI-UHFFFAOYSA-N 0 0 421.570 4.891 50 0 HJAARN CCc1csc(NC2CCN(C(=O)C[C@@H](c3ccccc3)C(F)(F)F)CC2)n1 ZINC000170598405 569242589 /nfs/dbraw/zinc/24/25/89/569242589.db2.gz NPDIPBDIMYDKQX-KRWDZBQOSA-N 0 0 411.493 4.845 50 0 HJAARN COc1cccc(N[C@H](CNC(=O)[C@H]2C[C@@H]2c2ccccc2F)c2ccccc2)c1 ZINC000170599978 569242795 /nfs/dbraw/zinc/24/27/95/569242795.db2.gz FAKVRPOMLUOVKX-AOHZBQACSA-N 0 0 404.485 4.907 50 0 HJAARN Cc1nnc2c(N3CCc4ccccc43)nc3ccc(C(=O)c4ccccc4)cc3n12 ZINC000007504049 569243492 /nfs/dbraw/zinc/24/34/92/569243492.db2.gz NQHPQMIKRSTPMH-UHFFFAOYSA-N 0 0 405.461 4.511 50 0 HJAARN CCc1nn(-c2ccc(OC)cc2)c(Oc2ccccc2F)c1CCC(=O)NC1CC1 ZINC000037278524 569246024 /nfs/dbraw/zinc/24/60/24/569246024.db2.gz RWNLFELSFXJXLB-UHFFFAOYSA-N 0 0 423.488 4.586 50 0 HJAARN COc1cccc([C@H]2CC(c3cc(OC)cc(OC)c3)=NN2C(=O)c2ccccc2)c1 ZINC000170615701 569247372 /nfs/dbraw/zinc/24/73/72/569247372.db2.gz QXMRJNYWSKEULX-XMMPIXPASA-N 0 0 416.477 4.704 50 0 HJAARN COC(=O)c1sc(N2CCCC[C@@H]2c2nc(-c3ccccc3)c[nH]2)nc1Cl ZINC000170619650 569248297 /nfs/dbraw/zinc/24/82/97/569248297.db2.gz DJODOLIFBVDYMZ-CQSZACIVSA-N 0 0 402.907 4.705 50 0 HJAARN COc1ccc([C@@H]2CC(c3cccc(NC(C)=O)c3)=NN2C(C)=O)c2ccccc12 ZINC000170619005 569248349 /nfs/dbraw/zinc/24/83/49/569248349.db2.gz HLULYDCGWNTQAK-QHCPKHFHSA-N 0 0 401.466 4.504 50 0 HJAARN Cc1ccc(Oc2ccc(NC(=O)N3CCO[C@@H](c4ccccc4F)C3)cn2)cc1 ZINC000170620690 569248842 /nfs/dbraw/zinc/24/88/42/569248842.db2.gz VMNWCDHYSOULPZ-OAQYLSRUSA-N 0 0 407.445 4.927 50 0 HJAARN C[C@@H](NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2)c1nc(C(C)(C)C)cs1 ZINC000170622300 569249207 /nfs/dbraw/zinc/24/92/07/569249207.db2.gz PMBULZZTOCDHHA-HIFRSBDPSA-N 0 0 401.532 4.777 50 0 HJAARN NC(=O)c1cccc(Oc2ccc(NC(=O)C3=Cc4cc(Cl)ccc4OC3)cc2)c1 ZINC000170623457 569249814 /nfs/dbraw/zinc/24/98/14/569249814.db2.gz YLSWOCWBVSNBNC-UHFFFAOYSA-N 0 0 420.852 4.646 50 0 HJAARN CNC(=O)COC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1ccccc1Cl ZINC000007563046 569250693 /nfs/dbraw/zinc/25/06/93/569250693.db2.gz WFVNFFFYDVOCOK-DTQAZKPQSA-N 0 0 420.896 4.668 50 0 HJAARN CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1n[nH]c(SCc2ccccc2)n1 ZINC000009910143 569251763 /nfs/dbraw/zinc/25/17/63/569251763.db2.gz ZJQWIXXUQQOGHK-UHFFFAOYSA-N 0 0 402.907 4.547 50 0 HJAARN O=C(CCCc1nc2ccccc2s1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000071283608 569251976 /nfs/dbraw/zinc/25/19/76/569251976.db2.gz KMUIWMBGZXKJNJ-UHFFFAOYSA-N 0 0 414.958 4.783 50 0 HJAARN Cn1ccc2cc(C(=O)N3CCc4[nH]c5ccc(OC(F)(F)F)cc5c4C3)ccc21 ZINC000071286187 569252257 /nfs/dbraw/zinc/25/22/57/569252257.db2.gz HIACLQHSLVTRBK-UHFFFAOYSA-N 0 0 413.399 4.757 50 0 HJAARN Cn1ccc2c1cccc2C(=O)N1CCc2[nH]c3ccc(OC(F)(F)F)cc3c2C1 ZINC000071287183 569252373 /nfs/dbraw/zinc/25/23/73/569252373.db2.gz DBJCKVWZZPMHCC-UHFFFAOYSA-N 0 0 413.399 4.757 50 0 HJAARN Cc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)s1 ZINC000009996032 569252696 /nfs/dbraw/zinc/25/26/96/569252696.db2.gz DNMXQUVCNTXXKD-UHFFFAOYSA-N 0 0 408.527 4.643 50 0 HJAARN O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000009996110 569252794 /nfs/dbraw/zinc/25/27/94/569252794.db2.gz GFGYSZAHIOYNMX-QUCCMNQESA-N 0 0 408.523 4.831 50 0 HJAARN COc1ccc(C(=O)N2c3ncnn3[C@@H](c3ccc(C)cc3)C[C@@H]2c2ccccc2)cc1 ZINC000010060304 569253081 /nfs/dbraw/zinc/25/30/81/569253081.db2.gz ZIFDXUHKYVVKFM-DNQXCXABSA-N 0 0 424.504 4.976 50 0 HJAARN COc1ccc([C@@H]2C[C@@H](c3ccc(C)cc3)n3ncnc3N2C(=O)c2ccccc2)cc1 ZINC000010060329 569253087 /nfs/dbraw/zinc/25/30/87/569253087.db2.gz VMZVNQDGAGWEKX-ZEQRLZLVSA-N 0 0 424.504 4.976 50 0 HJAARN COc1cccc(C(=O)N2c3ncnn3[C@H](c3ccc(C)cc3)C[C@H]2c2ccccc2)c1 ZINC000010060309 569253113 /nfs/dbraw/zinc/25/31/13/569253113.db2.gz YFKWNKXERRLMPB-ZEQRLZLVSA-N 0 0 424.504 4.976 50 0 HJAARN COc1ccccc1C(=O)N1c2ncnn2[C@H](c2ccc(C)cc2)C[C@H]1c1ccccc1 ZINC000010060313 569253125 /nfs/dbraw/zinc/25/31/25/569253125.db2.gz YWBROZUSGPSVMC-GOTSBHOMSA-N 0 0 424.504 4.976 50 0 HJAARN O=C(CCCS(=O)(=O)c1ccccc1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000010218328 569253652 /nfs/dbraw/zinc/25/36/52/569253652.db2.gz MAQLXUHPAZBWBM-UHFFFAOYSA-N 0 0 420.490 4.687 50 0 HJAARN O=c1nc(SCc2cccc3ccccc32)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000010255542 569254215 /nfs/dbraw/zinc/25/42/15/569254215.db2.gz BEIDSBNDSDZYRY-IBGZPJMESA-N 0 0 406.551 4.747 50 0 HJAARN COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000071794062 569254429 /nfs/dbraw/zinc/25/44/29/569254429.db2.gz QYUCAMBOGOAFBE-YOEHRIQHSA-N 0 0 407.436 4.695 50 0 HJAARN CN(C)c1ccc(-c2nnc(SCc3cccc(Br)c3)n2C)cc1 ZINC000013325877 569255012 /nfs/dbraw/zinc/25/50/12/569255012.db2.gz PNMYOXGEPQCOLE-UHFFFAOYSA-N 0 0 403.349 4.603 50 0 HJAARN Nc1ccccc1CNC(=O)/C(=C/c1cccc2ccccc12)NC(=O)c1ccccc1 ZINC000013576607 569256242 /nfs/dbraw/zinc/25/62/42/569256242.db2.gz PIQUYCNQAPYLMM-UQQQWYQISA-N 0 0 421.500 4.509 50 0 HJAARN O=C(COC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)Nc1ccc(Cl)cc1 ZINC000013578978 569256364 /nfs/dbraw/zinc/25/63/64/569256364.db2.gz CWDCCVUJUUMHTL-UHFFFAOYSA-N 0 0 423.856 4.780 50 0 HJAARN C[C@@H]1CCCC[C@H]1NC(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000013579435 569256517 /nfs/dbraw/zinc/25/65/17/569256517.db2.gz NHHILIHHXWJECQ-ARELOLJLSA-N 0 0 401.510 4.634 50 0 HJAARN Cc1[nH]c(=S)sc1CC(=O)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000014250889 569259107 /nfs/dbraw/zinc/25/91/07/569259107.db2.gz RRVZHRZMUPPBQZ-UHFFFAOYSA-N 0 0 401.538 4.843 50 0 HJAARN CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 ZINC000014425058 569260047 /nfs/dbraw/zinc/26/00/47/569260047.db2.gz XETZFWRQAMKWIS-UHFFFAOYSA-N 0 0 408.523 4.635 50 0 HJAARN COc1ccc2c(CC(=O)N(C[C@H]3CCCO3)c3nc4ccccc4s3)coc2c1 ZINC000014498404 569260113 /nfs/dbraw/zinc/26/01/13/569260113.db2.gz FIJNIYPPQJNYNK-QGZVFWFLSA-N 0 0 422.506 4.806 50 0 HJAARN COc1cccc([C@@H]2CC(c3ccc(C)cc3)=NN2S(=O)(=O)c2ccccc2)c1 ZINC000089632095 569261437 /nfs/dbraw/zinc/26/14/37/569261437.db2.gz BFKGQDVDVDXSKZ-QHCPKHFHSA-N 0 0 406.507 4.544 50 0 HJAARN Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1 ZINC000089637221 569261477 /nfs/dbraw/zinc/26/14/77/569261477.db2.gz KGGGWPXEMKHECC-UHFFFAOYSA-N 0 0 415.898 4.693 50 0 HJAARN O=C(c1ccco1)N1N=C(c2cccc(Cl)c2)C[C@@H]1c1ccc2nccnc2c1 ZINC000089774590 569263809 /nfs/dbraw/zinc/26/38/09/569263809.db2.gz IRXFRIZERKYGCQ-HXUWFJFHSA-N 0 0 402.841 4.868 50 0 HJAARN COc1cccc(NC(=O)CSc2ncc(-c3cccc(Br)c3)o2)c1 ZINC000016841098 569264506 /nfs/dbraw/zinc/26/45/06/569264506.db2.gz QZFVDQNQSFJJRY-UHFFFAOYSA-N 0 0 419.300 4.844 50 0 HJAARN CCCCn1c(=O)c2sccc2nc1SCc1nc(-c2ccc(F)cc2)no1 ZINC000016843282 569264821 /nfs/dbraw/zinc/26/48/21/569264821.db2.gz KNYMCYCWWKCKMP-UHFFFAOYSA-N 0 0 416.503 4.740 50 0 HJAARN O=C(CCc1csc(NC(=O)Nc2ccccc2)n1)NCc1ccccc1Cl ZINC000016849030 569265565 /nfs/dbraw/zinc/26/55/65/569265565.db2.gz TWBNBWZVHNBZIV-UHFFFAOYSA-N 0 0 414.918 4.690 50 0 HJAARN COc1ccc(-c2nc(COC(=O)c3cc(C)n(C4CC4)c3C)cs2)cc1OC ZINC000007575721 569266875 /nfs/dbraw/zinc/26/68/75/569266875.db2.gz FTDKPPWWBVRYMU-UHFFFAOYSA-N 0 0 412.511 4.938 50 0 HJAARN COc1ccc(-c2cn3nc(SCC(=O)Nc4cccc(Cl)c4)ccc3n2)cc1 ZINC000016954772 569268510 /nfs/dbraw/zinc/26/85/10/569268510.db2.gz BKHFNZYERJOMNK-UHFFFAOYSA-N 0 0 424.913 4.789 50 0 HJAARN COc1cccc(Nc2nc(NCc3ccco3)nc3c2cnn3-c2ccccc2)c1 ZINC000016960518 569269144 /nfs/dbraw/zinc/26/91/44/569269144.db2.gz FHDVQLUFGATWJK-UHFFFAOYSA-N 0 0 412.453 4.773 50 0 HJAARN Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 ZINC000017011440 569271253 /nfs/dbraw/zinc/27/12/53/569271253.db2.gz UTAYHGYVSMVVRB-UHFFFAOYSA-N 0 0 424.497 4.528 50 0 HJAARN O=C(NC(c1ccccc1)c1ccccc1)N1CCC2(CC1)OC(=O)c1ccccc12 ZINC000207984817 569271268 /nfs/dbraw/zinc/27/12/68/569271268.db2.gz NYPFCXAKNHFWQB-UHFFFAOYSA-N 0 0 412.489 4.647 50 0 HJAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)c(C)c1 ZINC000017026008 569271887 /nfs/dbraw/zinc/27/18/87/569271887.db2.gz GRSUPFNCNOSOTJ-UHFFFAOYSA-N 0 0 420.534 4.697 50 0 HJAARN Cc1ccccc1C(=O)N1CCN(c2cc(Oc3ccc(Cl)cc3)ncn2)C[C@H]1C ZINC000037355847 569271919 /nfs/dbraw/zinc/27/19/19/569271919.db2.gz PHJHEWLKNNIELN-QGZVFWFLSA-N 0 0 422.916 4.582 50 0 HJAARN Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2cccc(Cl)c2)c2cccs2)cc1 ZINC000017043385 569272269 /nfs/dbraw/zinc/27/22/69/569272269.db2.gz BEAJXUMUXWSSJA-IBGZPJMESA-N 0 0 419.955 4.655 50 0 HJAARN Cc1ccc(-c2nc3n(c2CNC(=O)c2ccc(C(F)(F)F)cc2)CCS3)cc1 ZINC000017051245 569272492 /nfs/dbraw/zinc/27/24/92/569272492.db2.gz UUDDHWAQIODMDS-UHFFFAOYSA-N 0 0 417.456 4.913 50 0 HJAARN COCCn1c(=O)c2ccccc2nc1SCc1nc(-c2ccc(C)cc2)oc1C ZINC000017051831 569272662 /nfs/dbraw/zinc/27/26/62/569272662.db2.gz PRGLOVKJOXOSME-UHFFFAOYSA-N 0 0 421.522 4.607 50 0 HJAARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1C ZINC000017053160 569272669 /nfs/dbraw/zinc/27/26/69/569272669.db2.gz BJOQPOIDWFQXNW-UHFFFAOYSA-N 0 0 420.534 4.697 50 0 HJAARN CCCCCC(=O)N1CCN(c2cc(Oc3cc(C)ccc3Cl)ncn2)C[C@@H]1C ZINC000037356350 569272717 /nfs/dbraw/zinc/27/27/17/569272717.db2.gz IKUOTLONBAYAIS-KRWDZBQOSA-N 0 0 416.953 4.848 50 0 HJAARN O=C(NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000017169793 569276061 /nfs/dbraw/zinc/27/60/61/569276061.db2.gz SRAOLUKGYIOQBC-SFHVURJKSA-N 0 0 424.305 4.531 50 0 HJAARN COc1ccc(-n2nc3nc(NCC(C)C)nc(-c4cccc(Cl)c4)c3c2N)cc1 ZINC000037359474 569277771 /nfs/dbraw/zinc/27/77/71/569277771.db2.gz VWLRBQZHWUITKP-UHFFFAOYSA-N 0 0 422.920 4.795 50 0 HJAARN Cc1c(C)c(=O)oc2c(C)c(OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc12 ZINC000002092286 569280430 /nfs/dbraw/zinc/28/04/30/569280430.db2.gz UCFQLYRHLIGVIB-KRWDZBQOSA-N 0 0 417.502 4.563 50 0 biogenic HJAARN CCc1cc(=O)oc2cc(C)cc(OCC(=O)c3c(C)n(C)c4ccc(OC)cc43)c12 ZINC000002093876 569280688 /nfs/dbraw/zinc/28/06/88/569280688.db2.gz XTVXBHJCYKGHNZ-UHFFFAOYSA-N 0 0 419.477 4.734 50 0 biogenic HJAARN CCc1cc(=O)oc2c(C)c(OC(=O)CCCCCNC(=O)OC(C)(C)C)ccc12 ZINC000002095356 569280963 /nfs/dbraw/zinc/28/09/63/569280963.db2.gz IVRSZRRJERNZTA-UHFFFAOYSA-N 0 0 417.502 4.654 50 0 biogenic HJAARN Cc1noc(-c2ccccc2C(=O)Nc2ccc(Sc3ncccn3)cc2C)n1 ZINC000170640233 569282149 /nfs/dbraw/zinc/28/21/49/569282149.db2.gz XMTDPYNMFSGIEQ-UHFFFAOYSA-N 0 0 403.467 4.547 50 0 HJAARN CC1CCN(c2nc3nn(-c4cccc(F)c4)c(N)c3c(-c3cccc(F)c3)n2)CC1 ZINC000037361164 569283575 /nfs/dbraw/zinc/28/35/75/569283575.db2.gz HVYMUXFEISMZCH-UHFFFAOYSA-N 0 0 420.467 4.579 50 0 HJAARN Nc1c2c(nn1-c1ccc(F)cc1)nc(NC1CC1)nc2-c1ccc(F)c(Cl)c1 ZINC000037361665 569283656 /nfs/dbraw/zinc/28/36/56/569283656.db2.gz RXOZOPPBUWADCP-UHFFFAOYSA-N 0 0 412.831 4.571 50 0 HJAARN CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(C(=O)OC)cc1)CO3 ZINC000002118659 569284812 /nfs/dbraw/zinc/28/48/12/569284812.db2.gz ARRLKWJIJKTFIZ-UHFFFAOYSA-N 0 0 407.466 4.587 50 0 biogenic HJAARN CCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2cnc(-c3cccc(OC)c3)cc12 ZINC000000637439 569287601 /nfs/dbraw/zinc/28/76/01/569287601.db2.gz JBFBJBMFRIANTD-UHFFFAOYSA-N 0 0 418.424 4.557 50 0 HJAARN Nc1c2c(nn1Cc1ccccc1)nc(NC1CCCC1)nc2-c1cccc(F)c1F ZINC000037376107 569288060 /nfs/dbraw/zinc/28/80/60/569288060.db2.gz MUICCYWPCJVBRF-UHFFFAOYSA-N 0 0 420.467 4.757 50 0 HJAARN CC[C@H](NC(=O)CSc1nc2cc(OC)ccc2[nH]1)C12CC3CC(CC(C3)C1)C2 ZINC000252479660 569288873 /nfs/dbraw/zinc/28/88/73/569288873.db2.gz BJKCESYSEYHAOV-PBVNKPPYSA-N 0 0 413.587 4.775 50 0 HJAARN O=C(COC(=O)c1cccnc1Cl)N1c2ccccc2SC[C@@H]1c1ccccc1 ZINC000017526959 569292651 /nfs/dbraw/zinc/29/26/51/569292651.db2.gz OJVPKOUGYVKNJV-GOSISDBHSA-N 0 0 424.909 4.772 50 0 HJAARN CO[C@](F)(C(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccccc1)C(F)(F)F ZINC000002192634 569293881 /nfs/dbraw/zinc/29/38/81/569293881.db2.gz XXBDGXUPUKXXQM-LJQANCHMSA-N 0 0 407.367 4.661 50 0 HJAARN CCCn1nc(NC(=O)c2ccccc2OCC)c2cc3cc(OC)ccc3nc21 ZINC000002194076 569293897 /nfs/dbraw/zinc/29/38/97/569293897.db2.gz DFKNPZFWMFBOQT-UHFFFAOYSA-N 0 0 404.470 4.654 50 0 HJAARN Cc1ccc(NC(=O)c2c(N)n(-c3cccc(F)c3)c3nc4ccccc4nc32)cc1 ZINC000002195369 569294576 /nfs/dbraw/zinc/29/45/76/569294576.db2.gz BBLYXGKBJBYWSO-UHFFFAOYSA-N 0 0 411.440 4.856 50 0 HJAARN COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2ccc(F)cc2)cc1 ZINC000002202063 569295505 /nfs/dbraw/zinc/29/55/05/569295505.db2.gz MTYASSVUKVICFG-UHFFFAOYSA-N 0 0 404.441 4.680 50 0 HJAARN O=C(Cc1ccccc1)Nc1c2ccccc2oc1C(=O)c1ccc2c(c1)OCCO2 ZINC000007616156 569295910 /nfs/dbraw/zinc/29/59/10/569295910.db2.gz UMTMVEBFRSKDOB-UHFFFAOYSA-N 0 0 413.429 4.616 50 0 HJAARN CCn1c(S[C@@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)nnc1C1CC1 ZINC000007618196 569295918 /nfs/dbraw/zinc/29/59/18/569295918.db2.gz KADQGFSCYKDGLS-HXUWFJFHSA-N 0 0 422.554 4.965 50 0 HJAARN COc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2ccccc2)cc1O ZINC000002208941 569297101 /nfs/dbraw/zinc/29/71/01/569297101.db2.gz OOWGZKGUGRTIAH-UHFFFAOYSA-N 0 0 415.449 4.811 50 0 HJAARN c1cc(-c2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cs2)cs1 ZINC000007637555 569297953 /nfs/dbraw/zinc/29/79/53/569297953.db2.gz FPMUUQXTHPYIMP-UHFFFAOYSA-N 0 0 401.494 4.943 50 0 HJAARN Cc1ccc(NC(=O)Cc2nc(CN3CC=C(c4ccccc4)CC3)cs2)cc1 ZINC000007650969 569298897 /nfs/dbraw/zinc/29/88/97/569298897.db2.gz SMZIHNCWPLCYST-UHFFFAOYSA-N 0 0 403.551 4.922 50 0 HJAARN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000007651647 569298918 /nfs/dbraw/zinc/29/89/18/569298918.db2.gz PMZDUNWARKVHHP-UHFFFAOYSA-N 0 0 402.281 4.682 50 0 HJAARN O=C(OCc1cc(=O)oc2cc(O)ccc12)c1sc2cc(F)ccc2c1Cl ZINC000007654753 569299103 /nfs/dbraw/zinc/29/91/03/569299103.db2.gz OCQXTBZKXGXHHC-UHFFFAOYSA-N 0 0 404.802 4.863 50 0 HJAARN O=C(C1CC1)N(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000037440825 569299563 /nfs/dbraw/zinc/29/95/63/569299563.db2.gz SJORFUBWBDOAME-IBGZPJMESA-N 0 0 420.406 4.776 50 0 HJAARN CCNC(=O)N(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000037441752 569299728 /nfs/dbraw/zinc/29/97/28/569299728.db2.gz FKMLWOXNKGTXKK-MRXNPFEDSA-N 0 0 424.303 4.857 50 0 HJAARN COc1ccc(-c2nc(CSc3nncn3-c3ccccc3)cs2)cc1OC ZINC000007677421 569300286 /nfs/dbraw/zinc/30/02/86/569300286.db2.gz NQIOQOUFQDZYSB-UHFFFAOYSA-N 0 0 410.524 4.700 50 0 HJAARN COc1ccc(OC)c(CSc2n[nH]c(-c3ccccc3Br)n2)c1 ZINC000007695764 569300985 /nfs/dbraw/zinc/30/09/85/569300985.db2.gz DKSONHUCPJEBID-UHFFFAOYSA-N 0 0 406.305 4.544 50 0 HJAARN O=S(=O)(N[C@H](c1cccs1)c1ccccc1)c1ccccc1Br ZINC000007702192 569301381 /nfs/dbraw/zinc/30/13/81/569301381.db2.gz HMAHDNUKJAIFQB-KRWDZBQOSA-N 0 0 408.342 4.579 50 0 HJAARN COc1ccc(-c2noc(CN(C(=O)c3ccc(F)cc3)C3CCCCC3)n2)cc1 ZINC000007720303 569302287 /nfs/dbraw/zinc/30/22/87/569302287.db2.gz SCTLNAKLZSUQOV-UHFFFAOYSA-N 0 0 409.461 4.859 50 0 HJAARN Cc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)[C@H](C)C2=O)cc1Cl ZINC000037520899 569302908 /nfs/dbraw/zinc/30/29/08/569302908.db2.gz BVKWCUZMABMRJY-GFCCVEGCSA-N 0 0 411.716 4.833 50 0 HJAARN Cc1cc(Br)ccc1NC(=O)CN(Cc1ccco1)Cc1ccco1 ZINC000007726717 569303404 /nfs/dbraw/zinc/30/34/04/569303404.db2.gz FBTIAZXVQWXLGY-UHFFFAOYSA-N 0 0 403.276 4.584 50 0 HJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc3sc(C)cc3n2Cc2ccccc2C)C1 ZINC000037526226 569304084 /nfs/dbraw/zinc/30/40/84/569304084.db2.gz GFRQZXNKWQXQFO-IBGZPJMESA-N 0 0 424.566 4.783 50 0 HJAARN Cc1cc2c(cc(C(=O)NC[C@H]3CCCO3)n2Cc2ccc(C(F)(F)F)cc2)s1 ZINC000037526668 569304234 /nfs/dbraw/zinc/30/42/34/569304234.db2.gz WDKNWFHNSZVBRE-MRXNPFEDSA-N 0 0 422.472 4.987 50 0 HJAARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc3sc(C)cc3n2Cc2ccc(C)cc2)C1 ZINC000037542472 569305167 /nfs/dbraw/zinc/30/51/67/569305167.db2.gz CWMFKUSSMBDVTQ-IBGZPJMESA-N 0 0 424.566 4.783 50 0 HJAARN CCCNC(=O)c1cc2sc(Br)cc2n1Cc1cccc(OC)c1 ZINC000037543035 569305250 /nfs/dbraw/zinc/30/52/50/569305250.db2.gz IENLHIYJTNALDT-UHFFFAOYSA-N 0 0 407.333 4.662 50 0 HJAARN O=C(NCc1ccccc1)[C@@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccccc2F)C1 ZINC000037546012 569305483 /nfs/dbraw/zinc/30/54/83/569305483.db2.gz FWSITFRGUORPCF-ZJSXRUAMSA-N 0 0 416.496 4.736 50 0 HJAARN CC(C)NC(=O)c1cc2sc(Br)cc2n1Cc1ccc(F)cc1F ZINC000037542130 569305621 /nfs/dbraw/zinc/30/56/21/569305621.db2.gz QGLAFQGVIYOCHE-UHFFFAOYSA-N 0 0 413.287 4.930 50 0 HJAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1CCC(=O)NCC(C)C ZINC000037546893 569305899 /nfs/dbraw/zinc/30/58/99/569305899.db2.gz ZUPWHQSRFGYXHC-UHFFFAOYSA-N 0 0 413.468 4.956 50 0 HJAARN Cc1ccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NC(C)C)cc2)cc1 ZINC000037555119 569306321 /nfs/dbraw/zinc/30/63/21/569306321.db2.gz LWBKQICFMQTRMJ-UHFFFAOYSA-N 0 0 400.522 4.909 50 0 HJAARN C[C@@H](NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C1CC1)c1ccc(F)cc1 ZINC000007763704 569307732 /nfs/dbraw/zinc/30/77/32/569307732.db2.gz CZPUARBYHCSNNY-OLZOCXBDSA-N 0 0 416.547 4.839 50 0 HJAARN CCNC(=O)Cc1cccc(N(Cc2ccc(F)cc2)C(=O)/C=C/c2ccccc2)c1 ZINC000037600916 569309009 /nfs/dbraw/zinc/30/90/09/569309009.db2.gz CFNSXSFWNBBNOH-DTQAZKPQSA-N 0 0 416.496 4.751 50 0 HJAARN CC(C)N(c1ccccc1)c1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 ZINC000007779906 569309401 /nfs/dbraw/zinc/30/94/01/569309401.db2.gz MBAGGFGRIDBYIF-UHFFFAOYSA-N 0 0 412.493 4.582 50 0 HJAARN CC[C@H](C)c1ccccc1NC(=O)COc1ncnc2ccc(Br)cc21 ZINC000007779897 569309431 /nfs/dbraw/zinc/30/94/31/569309431.db2.gz MBZAOMAEAWKTGK-ZDUSSCGKSA-N 0 0 414.303 4.923 50 0 HJAARN Cc1cc2occ(CC(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)c2cc1C ZINC000007813757 569312346 /nfs/dbraw/zinc/31/23/46/569312346.db2.gz JFOHKKLTAYUMCD-UHFFFAOYSA-N 0 0 414.387 4.830 50 0 HJAARN COc1ccc(CCN2C(=O)c3ccccc3N[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000007884457 569315121 /nfs/dbraw/zinc/31/51/21/569315121.db2.gz PNAUINPJOYNRHV-XMMPIXPASA-N 0 0 418.493 4.522 50 0 HJAARN CCOc1c(Br)cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OC ZINC000007886312 569315251 /nfs/dbraw/zinc/31/52/51/569315251.db2.gz ODIQBNODOCEJHH-IBGZPJMESA-N 0 0 417.303 4.585 50 0 HJAARN O=S(=O)(c1ccccc1)N1CCS[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000000629176 569320290 /nfs/dbraw/zinc/32/02/90/569320290.db2.gz AWDHSJXUCMFBKP-JOCHJYFZSA-N 0 0 411.548 4.702 50 0 HJAARN Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000007912723 569321662 /nfs/dbraw/zinc/32/16/62/569321662.db2.gz BPPCWCOZJXXEQT-UHFFFAOYSA-N 0 0 411.461 4.888 50 0 HJAARN COc1ccc2c(c1)c(=O)c(C(=O)c1ccc(F)cc1)cn2Cc1ccccc1F ZINC000002690284 569322272 /nfs/dbraw/zinc/32/22/72/569322272.db2.gz ADFVFUHYRKPHRI-UHFFFAOYSA-N 0 0 405.400 4.568 50 0 HJAARN COc1cc(OC)cc(C(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)c1 ZINC000002972297 569322582 /nfs/dbraw/zinc/32/25/82/569322582.db2.gz KPTPPRJMUMLGIQ-UHFFFAOYSA-N 0 0 405.479 4.936 50 0 HJAARN Cc1ccc(C)c(-n2c(N)c(C(=O)OCCC(C)C)c3nc4ccccc4nc32)c1 ZINC000002245952 569324101 /nfs/dbraw/zinc/32/41/01/569324101.db2.gz KQALIRLBIADKSU-UHFFFAOYSA-N 0 0 402.498 4.976 50 0 HJAARN COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1 ZINC000002249126 569324474 /nfs/dbraw/zinc/32/44/74/569324474.db2.gz CPYHSNLCHOWSQV-LJQANCHMSA-N 0 0 418.474 4.625 50 0 HJAARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)c(Cl)c2)N2C(=O)[C@@H](C)SC2=N1 ZINC000002256384 569326324 /nfs/dbraw/zinc/32/63/24/569326324.db2.gz WVKQZNGKFUZXKK-BMIGLBTASA-N 0 0 413.326 4.594 50 0 HJAARN CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000002256677 569326437 /nfs/dbraw/zinc/32/64/37/569326437.db2.gz NRKHMAOSNFNSHG-UKRRQHHQSA-N 0 0 413.326 4.595 50 0 HJAARN Cc1cc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)ccc1Br ZINC000007920369 569326677 /nfs/dbraw/zinc/32/66/77/569326677.db2.gz HULNMMYYTNYVPY-UHFFFAOYSA-N 0 0 407.695 4.790 50 0 HJAARN COC(=O)[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC(=O)[C@@]21C ZINC000257347514 569363937 /nfs/dbraw/zinc/36/39/37/569363937.db2.gz KCWRJZPEFSQWMV-NDGWFRDPSA-N 0 0 418.574 4.565 50 0 HJAARN O=C(C=Cc1ccc(Cl)cc1)Nn1c(=O)c2ccccc2nc1-c1ccc(F)cc1 ZINC000027528061 569364120 /nfs/dbraw/zinc/36/41/20/569364120.db2.gz UHOGMZRMGQSERN-AUWJEWJLSA-N 0 0 419.843 4.640 50 0 HJAARN COc1cc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccccc5)coc4c32)ccc1O ZINC000253409232 569366425 /nfs/dbraw/zinc/36/64/25/569366425.db2.gz LOEYOYHSBVAUQU-QGZVFWFLSA-N 0 0 414.413 4.615 50 0 biogenic HJAARN O=c1c2ccccc2nc(-c2ccc(F)cc2)n1NCc1ccc(Br)cc1 ZINC000027531287 569366677 /nfs/dbraw/zinc/36/66/77/569366677.db2.gz VKSWZAKLOZVZNH-UHFFFAOYSA-N 0 0 424.273 4.709 50 0 HJAARN CCOc1ccccc1-c1nc(-c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cs1 ZINC000253416269 569367215 /nfs/dbraw/zinc/36/72/15/569367215.db2.gz MHQJFTJDZUUPBP-CQSZACIVSA-N 0 0 414.552 4.586 50 0 HJAARN Cc1ccc(C)c(-n2c(SC[C@@H]3CCC(=O)N3)nnc2-c2ccccc2Cl)c1 ZINC000253418584 569367708 /nfs/dbraw/zinc/36/77/08/569367708.db2.gz BZABXGVGGXNXOS-HNNXBMFYSA-N 0 0 412.946 4.575 50 0 HJAARN CCOc1ccc([C@@H](NC(=O)/C=C/c2ccco2)c2ccc(OC)c(OC)c2)cc1 ZINC000002291273 569369152 /nfs/dbraw/zinc/36/91/52/569369152.db2.gz QEHUSASEHIDEIZ-SWDTZWKESA-N 0 0 407.466 4.615 50 0 HJAARN COc1ccccc1/C=C/C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000002316137 569373150 /nfs/dbraw/zinc/37/31/50/569373150.db2.gz WZPGUHRANPZXAM-DTQAZKPQSA-N 0 0 412.489 4.940 50 0 HJAARN CCc1c(C)c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2oc1=O ZINC000002317680 569373339 /nfs/dbraw/zinc/37/33/39/569373339.db2.gz HVSAYFGFTWWBHP-UHFFFAOYSA-N 0 0 406.265 4.988 50 0 HJAARN CCOP(=O)(OCC)[C@H](NC(=O)c1ccc(F)cc1)C(Cl)(Cl)Cl ZINC000002311294 569373869 /nfs/dbraw/zinc/37/38/69/569373869.db2.gz HQPDYNAMPWZGEZ-LBPRGKRZSA-N 0 0 406.605 4.518 50 0 HJAARN COC(=O)c1c(N)n(-c2ccc(Oc3ccccc3)cc2)c2nc3ccccc3nc21 ZINC000002326890 569375497 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O=C1CS[C@@]2(c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)N1c1ccccc1 ZINC000008856978 569390617 /nfs/dbraw/zinc/39/06/17/569390617.db2.gz BWMSCDACPNHXBQ-HSZRJFAPSA-N 0 0 420.921 4.820 50 0 HJAARN O=C(NC(=S)Nc1ccccc1N1CCCC1)C(c1ccccc1)c1ccccc1 ZINC000002388548 569392492 /nfs/dbraw/zinc/39/24/92/569392492.db2.gz YBKUPDJTMGUSMK-UHFFFAOYSA-N 0 0 415.562 4.932 50 0 HJAARN CCn1c2ccccc2nc1[C@@H](NC(=O)c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000009449572 569392860 /nfs/dbraw/zinc/39/28/60/569392860.db2.gz PYIOWXPMOSVERQ-QHCPKHFHSA-N 0 0 415.493 4.593 50 0 HJAARN O=C(Nc1nc2n(n1)[C@H](c1ccccc1Cl)C[C@H](c1ccccc1)N2)c1ccco1 ZINC000002398368 569394551 /nfs/dbraw/zinc/39/45/51/569394551.db2.gz DFSMFAADKMMFOB-MSOLQXFVSA-N 0 0 419.872 4.923 50 0 HJAARN CC(C)c1ccc(C=CC(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000009990730 569394804 /nfs/dbraw/zinc/39/48/04/569394804.db2.gz WKINHGHJGJWOES-BJMVGYQFSA-N 0 0 419.521 4.716 50 0 HJAARN CCCn1nc(NC(=O)c2ccc(OC)c(OC)c2)c2cc3cccc(C)c3nc21 ZINC000002406981 569396211 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CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)[C@@H](OC(C)=O)C[C@@H]32)C1 ZINC000030729135 519756954 /nfs/dbraw/zinc/75/69/54/519756954.db2.gz VYZPGMGWYUEREY-LCLDLZHKSA-N 0 0 418.574 4.708 50 0 biogenic,in-vitro HJAARN CC(C)[C@@H](NC(=O)C(=O)Nc1ccc2oc(C3CC3)nc2c1)c1ccc(Cl)cc1 ZINC000041239739 519796521 /nfs/dbraw/zinc/79/65/21/519796521.db2.gz CCHWIKTVFZSOJN-LJQANCHMSA-N 0 0 411.889 4.811 50 0 HJAARN CCCC(=O)Nc1nc2ccc(CCC(=O)Nc3cc(C)ccc3OC)cc2s1 ZINC000032959418 519880813 /nfs/dbraw/zinc/88/08/13/519880813.db2.gz IRDRKLAAQZLKNY-UHFFFAOYSA-N 0 0 411.527 4.923 50 0 HJAARN CCCn1nnc(NCc2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)n1 ZINC000032617026 519896620 /nfs/dbraw/zinc/89/66/20/519896620.db2.gz WEILWXRXRCGVBO-UHFFFAOYSA-N 0 0 422.316 4.590 50 0 HJAARN CC(C)c1noc(-c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)n1 ZINC000032578686 519898855 /nfs/dbraw/zinc/89/88/55/519898855.db2.gz LBPYIVFUMPEWJR-UHFFFAOYSA-N 0 0 405.376 4.896 50 0 HJAARN CC(C)c1noc(-c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)n1 ZINC000032578667 519899029 /nfs/dbraw/zinc/89/90/29/519899029.db2.gz VHBWNOZGJSLGPF-UHFFFAOYSA-N 0 0 416.275 4.640 50 0 HJAARN CCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccc(C)cc2)C1 ZINC000044803776 520496629 /nfs/dbraw/zinc/49/66/29/520496629.db2.gz HVECKPSIDYYUHL-GOSISDBHSA-N 0 0 404.514 4.582 50 0 HJAARN CCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2)C1 ZINC000044803796 520497710 /nfs/dbraw/zinc/49/77/10/520497710.db2.gz HWFYTUXIQYARFN-INIZCTEOSA-N 0 0 424.932 4.927 50 0 HJAARN CCOC(=O)C1=CN(c2ccc(F)cc2)C=C(C(=O)OCC)C1c1ccc(C)s1 ZINC000001170726 520543663 /nfs/dbraw/zinc/54/36/63/520543663.db2.gz HWGCRPBXTNIQQT-UHFFFAOYSA-N 0 0 415.486 4.693 50 0 HJAARN CCOc1ccc(-c2cc(C(=O)Nc3ccnn3Cc3ccc(C)cc3)no2)cc1 ZINC000032593746 520804510 /nfs/dbraw/zinc/80/45/10/520804510.db2.gz ITVMGZCDSMBNGC-UHFFFAOYSA-N 0 0 402.454 4.546 50 0 HJAARN CCOc1ccc(-c2noc(CNc3cc4c(cc3Cl)OCCCO4)n2)cc1 ZINC000032803952 520827869 /nfs/dbraw/zinc/82/78/69/520827869.db2.gz KPOOOQZAAHOYTD-UHFFFAOYSA-N 0 0 401.850 4.562 50 0 HJAARN CCOC(=O)c1c(O)c(NC(=O)c2ccc(Cl)cc2)c2sc3ccccc3n21 ZINC000041155002 521413798 /nfs/dbraw/zinc/41/37/98/521413798.db2.gz FUFKTWPZBUHMBN-UHFFFAOYSA-N 0 0 414.870 4.942 50 0 HJAARN COC(=O)c1c(C)[nH]c(-c2cccc(OC)c2)c1[C@H]1C(=O)Nc2ccc(Cl)cc21 ZINC000032104234 521748418 /nfs/dbraw/zinc/74/84/18/521748418.db2.gz XVPZPIJLVZQPIB-SFHVURJKSA-N 0 0 410.857 4.523 50 0 HJAARN CCc1ccccc1NC(=O)Cn1c2ccccc2nc1C(=O)c1cccc(F)c1 ZINC000032959162 521880828 /nfs/dbraw/zinc/88/08/28/521880828.db2.gz VFVDRDWGTLDMHC-UHFFFAOYSA-N 0 0 401.441 4.608 50 0 HJAARN CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c(-n2cnnc2)c1 ZINC000032646822 522038303 /nfs/dbraw/zinc/03/83/03/522038303.db2.gz KRWNIJQDUNVWSB-AWEZNQCLSA-N 0 0 418.419 4.817 50 0 HJAARN CCc1nc(-c2ccc(-c3noc([C@@H]4CC(=O)N(c5ccccc5)C4)n3)cc2)cs1 ZINC000040454983 522143294 /nfs/dbraw/zinc/14/32/94/522143294.db2.gz MKYGTHPCHJHXQA-QGZVFWFLSA-N 0 0 416.506 4.943 50 0 HJAARN COc1cc(C(=O)Nc2nc3c(s2)CCCCC3)ccc1OCc1ccncc1 ZINC000031897311 522163246 /nfs/dbraw/zinc/16/32/46/522163246.db2.gz JEWWJEMSWJJBCB-UHFFFAOYSA-N 0 0 409.511 4.647 50 0 HJAARN CN(C)c1ccc(NC(=O)c2ccc(Br)cc2F)c(C(F)(F)F)c1 ZINC000032832487 522232312 /nfs/dbraw/zinc/23/23/12/522232312.db2.gz RFUYSRBGILYHAJ-UHFFFAOYSA-N 0 0 405.189 4.925 50 0 HJAARN CCc1nc2c(sc3cccc(F)c32)c(=O)n1CC(=O)Nc1ccccc1Cl ZINC000045943028 522481256 /nfs/dbraw/zinc/48/12/56/522481256.db2.gz XWNLNPHYXKOIPW-UHFFFAOYSA-N 0 0 415.877 4.605 50 0 HJAARN COCc1cc(C)nc2sc3c(c21)NCN(c1cccc(C(F)(F)F)c1)C3=O ZINC000020446408 522920783 /nfs/dbraw/zinc/92/07/83/522920783.db2.gz CAZYEVCFHLYOSZ-UHFFFAOYSA-N 0 0 407.417 4.800 50 0 HJAARN COc1ccc(-c2cn3c(C)c(C(=O)Nc4cccc5nsnc54)sc3n2)cc1 ZINC000048985004 523142791 /nfs/dbraw/zinc/14/27/91/523142791.db2.gz UXBBQQNIQXEGSR-UHFFFAOYSA-N 0 0 421.507 4.637 50 0 HJAARN COc1ccc(-c2nc(NC(=O)CCc3nnc(-c4ccccc4)o3)sc2C)cc1 ZINC000032747480 523222192 /nfs/dbraw/zinc/22/21/92/523222192.db2.gz GVUBTQMRMKCCOK-UHFFFAOYSA-N 0 0 420.494 4.748 50 0 HJAARN COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)c1cccc(OC(C)C)c1 ZINC000032095313 523233885 /nfs/dbraw/zinc/23/38/85/523233885.db2.gz RRKYYXVJXYDASN-UHFFFAOYSA-N 0 0 403.438 4.938 50 0 HJAARN COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)n2)cc1 ZINC000032578634 523275881 /nfs/dbraw/zinc/27/58/81/523275881.db2.gz PROWXEJLFVNUOK-UHFFFAOYSA-N 0 0 419.412 4.569 50 0 HJAARN COc1ccc(-c2noc(-c3sc(NC(=O)c4ccc(F)cc4)nc3C)n2)cc1 ZINC000031812574 523279976 /nfs/dbraw/zinc/27/99/76/523279976.db2.gz WDDKXCHTHZDPMA-UHFFFAOYSA-N 0 0 410.430 4.569 50 0 HJAARN COc1ccc(/C=C(/C(=O)N(C)Cc2ccc3c(c2)OCO3)c2cccs2)cc1 ZINC000032907928 523379001 /nfs/dbraw/zinc/37/90/01/523379001.db2.gz RTGYDRDGPFXMIG-XDHOZWIPSA-N 0 0 407.491 4.685 50 0 HJAARN CCn1cc2nc(SCc3ccccc3C)n(Cc3ccc(Cl)cc3)c(=O)c2n1 ZINC000020582051 523489209 /nfs/dbraw/zinc/48/92/09/523489209.db2.gz ZKPQPLNYPKZYKZ-UHFFFAOYSA-N 0 0 424.957 4.915 50 0 HJAARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1(c2ccc(C(C)(C)C)cc2)CCCC1 ZINC000032423488 523562915 /nfs/dbraw/zinc/56/29/15/523562915.db2.gz PIVOEKRPYSGSCN-UHFFFAOYSA-N 0 0 417.553 4.691 50 0 HJAARN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCc3ccccc32)c1 ZINC000032759136 523651398 /nfs/dbraw/zinc/65/13/98/523651398.db2.gz QCUBPMSFYCKYDG-QHCPKHFHSA-N 0 0 420.534 4.570 50 0 HJAARN CN1C(=O)c2ccccc2[C@H](C(=O)NCCc2ccc(Cl)cc2)[C@H]1c1cccs1 ZINC000020104452 523736875 /nfs/dbraw/zinc/73/68/75/523736875.db2.gz OVFUEFORWPOVRM-LEWJYISDSA-N 0 0 424.953 4.671 50 0 HJAARN COc1ccc(C2=NN(C(C)=O)[C@H](c3cccc4cccc(OC)c43)C2)c(OC)c1 ZINC000096118938 523876551 /nfs/dbraw/zinc/87/65/51/523876551.db2.gz BCCZSPJVICYOBD-NRFANRHFSA-N 0 0 404.466 4.563 50 0 HJAARN COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(F)cc2)c(OC)c1 ZINC000239266964 523879337 /nfs/dbraw/zinc/87/93/37/523879337.db2.gz ZZYQHTRHDYUPHY-QPPBQGQZSA-N 0 0 404.441 5.085 50 0 HJAARN COCCNC(=O)c1sc2c(cnc3c(OC)cccc23)c1-c1ccc(C)cc1 ZINC000045943960 523932011 /nfs/dbraw/zinc/93/20/11/523932011.db2.gz FYXRTJOMJKFPHT-UHFFFAOYSA-N 0 0 406.507 4.810 50 0 HJAARN CCc1ccc(NC(=O)Cn2c(CC)nc3c(sc4cccc(F)c43)c2=O)cc1 ZINC000045943059 523976125 /nfs/dbraw/zinc/97/61/25/523976125.db2.gz APFYLBSAFCGYQX-UHFFFAOYSA-N 0 0 409.486 4.514 50 0 HJAARN COc1ccc(CNC(=O)CSC(c2ccccc2)c2ccccc2)cc1OC ZINC000032794126 524053485 /nfs/dbraw/zinc/05/34/85/524053485.db2.gz YRLSYVLPWBMKGV-UHFFFAOYSA-N 0 0 407.535 4.843 50 0 HJAARN CCc1cccc(C)c1NC(=O)Cn1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000032765056 524064035 /nfs/dbraw/zinc/06/40/35/524064035.db2.gz QZMWAVDXIHKRBF-UHFFFAOYSA-N 0 0 415.468 4.712 50 0 HJAARN CNC(=O)CSc1ncc(-c2ccc(C)cc2)n1-c1cccc(C(F)(F)F)c1 ZINC000044087798 524075311 /nfs/dbraw/zinc/07/53/11/524075311.db2.gz XHYSDIYQQJPUCF-UHFFFAOYSA-N 0 0 405.445 4.705 50 0 HJAARN Cc1cc(C(=O)OCC(=O)Nc2cccc(-c3csc(C)n3)c2)c(C)n1C1CC1 ZINC000017131680 524196197 /nfs/dbraw/zinc/19/61/97/524196197.db2.gz PIJREMOCTAJZKV-UHFFFAOYSA-N 0 0 409.511 4.667 50 0 HJAARN Cc1cc(C)c(C)c(S(=O)(=O)NC[C@H](C)c2nc3ccccc3n2C(F)F)c1C ZINC000009883264 524251491 /nfs/dbraw/zinc/25/14/91/524251491.db2.gz WESSVNOBCYZDAO-AWEZNQCLSA-N 0 0 421.513 4.747 50 0 HJAARN COc1ccccc1C(=O)Nc1ccc2c(c1)nc(Cn1ccc3ccccc31)n2C ZINC000031818151 524359220 /nfs/dbraw/zinc/35/92/20/524359220.db2.gz VESYLDBNTPXROB-UHFFFAOYSA-N 0 0 410.477 4.837 50 0 HJAARN Cc1ccc(CN2C(=O)c3ccccc3C[C@]2(C)C(=O)NC2CCCCCC2)cc1 ZINC000020386883 524434004 /nfs/dbraw/zinc/43/40/04/524434004.db2.gz YNAPTWOWAJRYQE-AREMUKBSSA-N 0 0 404.554 4.791 50 0 HJAARN Cc1cc(C)n(-c2ccccc2NC(=O)N(C)Cc2ccc(OC(F)F)cc2)n1 ZINC000044209211 524495249 /nfs/dbraw/zinc/49/52/49/524495249.db2.gz HJNCLUPWZIZBDK-UHFFFAOYSA-N 0 0 400.429 4.754 50 0 HJAARN COc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2cccc(F)c2)cc1 ZINC000033050615 524508971 /nfs/dbraw/zinc/50/89/71/524508971.db2.gz YLOPXBBAOSFQIW-UHFFFAOYSA-N 0 0 421.497 4.963 50 0 HJAARN COc1ccc(NC(=O)[C@H](C)S(=O)(=O)Cc2c(C)cc(C(C)(C)C)cc2C)cc1 ZINC000032796802 524608186 /nfs/dbraw/zinc/60/81/86/524608186.db2.gz RXYJWHXQYBXYSN-KRWDZBQOSA-N 0 0 417.571 4.552 50 0 HJAARN COc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)c(OC)c1 ZINC000008230315 524649875 /nfs/dbraw/zinc/64/98/75/524649875.db2.gz QUFODHBMOGUYNX-UHFFFAOYSA-N 0 0 419.506 4.929 50 0 HJAARN COc1ccc(NC(C)=O)cc1NC(=O)c1sc2nc(-c3ccccc3)cn2c1C ZINC000020280079 524672348 /nfs/dbraw/zinc/67/23/48/524672348.db2.gz LCXDBFHLWFXDEG-UHFFFAOYSA-N 0 0 420.494 4.591 50 0 HJAARN Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H](C)c3ccco3)c2)c1 ZINC000032744799 524693318 /nfs/dbraw/zinc/69/33/18/524693318.db2.gz PESNURQJGIKMNB-CQSZACIVSA-N 0 0 418.902 4.533 50 0 HJAARN COc1ccc(N[C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1OC(F)F ZINC000025457345 524708245 /nfs/dbraw/zinc/70/82/45/524708245.db2.gz AZOFHEWRUYRENR-OAHLLOKOSA-N 0 0 419.472 4.726 50 0 HJAARN C[C@@H]1CCc2[nH]c3c(cccc3C(=O)Nc3cccc(NC(=O)NC4CC4)c3)c2C1 ZINC000030731016 524719359 /nfs/dbraw/zinc/71/93/59/524719359.db2.gz ILJKIEDMBTVBPP-CQSZACIVSA-N 0 0 402.498 4.829 50 0 HJAARN Cc1ccc(F)cc1NC(=O)COc1ccc(-c2nc(-c3ccccc3)no2)cc1 ZINC000032578556 524857276 /nfs/dbraw/zinc/85/72/76/524857276.db2.gz PVBVOPFUSPTRQA-UHFFFAOYSA-N 0 0 403.413 4.869 50 0 HJAARN COc1ccc(OCC(=O)Nc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)cc1 ZINC000032623232 524935893 /nfs/dbraw/zinc/93/58/93/524935893.db2.gz ZEXJGJROCODYLG-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN COc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(Br)c(C)c1 ZINC000045967192 524990089 /nfs/dbraw/zinc/99/00/89/524990089.db2.gz JUHQEPDVNBAWCA-UHFFFAOYSA-N 0 0 400.276 4.578 50 0 HJAARN Cc1ccc(NC(=O)C2CCN(c3nccnc3Oc3ccccc3)CC2)cc1F ZINC000033141971 525028067 /nfs/dbraw/zinc/02/80/67/525028067.db2.gz MGURUJZSYZQARK-UHFFFAOYSA-N 0 0 406.461 4.572 50 0 HJAARN Cc1ccccc1C(=O)Nc1nc(C(=O)NCc2cccc(C(F)(F)F)c2)cs1 ZINC000040355386 525066338 /nfs/dbraw/zinc/06/63/38/525066338.db2.gz CBVGUEJMDZTGBH-UHFFFAOYSA-N 0 0 419.428 4.653 50 0 HJAARN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000044758202 525245993 /nfs/dbraw/zinc/24/59/93/525245993.db2.gz RIGIOLBHCXKTSY-UHFFFAOYSA-N 0 0 413.477 4.848 50 0 HJAARN COc1ccc([C@@H]2CCCN2C(=O)c2cc(F)ccc2Br)c(OC)c1 ZINC000032747574 525247620 /nfs/dbraw/zinc/24/76/20/525247620.db2.gz SFWFCPXKATUFGB-KRWDZBQOSA-N 0 0 408.267 4.583 50 0 HJAARN Cc1cc(NC(=O)c2nc3ccccc3nc2N2CCCC2)ccc1Br ZINC000032642793 525261287 /nfs/dbraw/zinc/26/12/87/525261287.db2.gz YHQFCUSPUOETBN-UHFFFAOYSA-N 0 0 411.303 4.553 50 0 HJAARN COc1ccc([C@H]2CCCN2C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 ZINC000043398484 525409898 /nfs/dbraw/zinc/40/98/98/525409898.db2.gz JTXQSPGKLCSBHY-HXUWFJFHSA-N 0 0 415.921 4.554 50 0 HJAARN COc1ccc([C@H]2OC(=O)N(Cc3ccc(C)cc3)[C@]2(O)c2ccc(OC)cc2)cc1 ZINC000001422851 525433081 /nfs/dbraw/zinc/43/30/81/525433081.db2.gz UKQWUEJMMMZSJK-NOZRDPDXSA-N 0 0 419.477 4.551 50 0 HJAARN Cc1cc(Sc2nnc(-c3ccncc3)n2-c2cccc(Cl)c2C)nc(C)n1 ZINC000032769884 525445166 /nfs/dbraw/zinc/44/51/66/525445166.db2.gz GSNMSUCIFQZQJI-UHFFFAOYSA-N 0 0 408.918 4.849 50 0 HJAARN Cc1ccc(S(=O)(=O)N2CC[C@]3(Cl)CCCC[C@@H]3[C@H]2c2ccccc2)cc1 ZINC000239415257 525552639 /nfs/dbraw/zinc/55/26/39/525552639.db2.gz UBOPKOJZKXANGC-YPAWHYETSA-N 0 0 403.975 5.299 50 0 HJAARN COc1ccc2nc(C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4s3)ccc2c1 ZINC000032868840 525659764 /nfs/dbraw/zinc/65/97/64/525659764.db2.gz WLPZMSKQXVLUAO-KRWDZBQOSA-N 0 0 419.506 4.679 50 0 HJAARN COc1ccc2oc(-c3noc([C@@H]4CC(=O)N(c5ccc(C)c(C)c5)C4)n3)c(C)c2c1 ZINC000040455055 525683610 /nfs/dbraw/zinc/68/36/10/525683610.db2.gz ZWNWTQLSDOPQPF-MRXNPFEDSA-N 0 0 417.465 4.937 50 0 HJAARN COc1ccc2oc(-c3noc([C@@H]4CC(=O)N(c5cccc(Cl)c5)C4)n3)c(C)c2c1 ZINC000040455066 525683979 /nfs/dbraw/zinc/68/39/79/525683979.db2.gz PSPRSXMGXFVNRA-CYBMUJFWSA-N 0 0 423.856 4.974 50 0 HJAARN C[C@@H](Nc1ccccc1C(=O)NCc1ccco1)C(=O)Nc1cccc2ccccc21 ZINC000024760621 525719090 /nfs/dbraw/zinc/71/90/90/525719090.db2.gz APTAVVXPAXZPHA-QGZVFWFLSA-N 0 0 413.477 4.802 50 0 HJAARN C[C@@H](Nc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c21)c1nncn1C ZINC000032934483 525724492 /nfs/dbraw/zinc/72/44/92/525724492.db2.gz YHMWPYJTMIXXPV-CQSZACIVSA-N 0 0 413.510 4.722 50 0 HJAARN Cc1ccc([C@@H](CC(=O)Nc2ccc(F)c(F)c2)N2Cc3ccccc3C2=O)cc1 ZINC000020561878 525756674 /nfs/dbraw/zinc/75/66/74/525756674.db2.gz KTMCBFBSDRVTHI-JOCHJYFZSA-N 0 0 406.432 4.999 50 0 HJAARN Cc1c(Cl)cccc1NC(=O)[C@@H](C)n1c(=O)c(C(F)(F)F)nc2ccccc21 ZINC000032944743 525775441 /nfs/dbraw/zinc/77/54/41/525775441.db2.gz AJVZZEPXUWLKMM-LLVKDONJSA-N 0 0 409.795 4.577 50 0 HJAARN Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCN(C(=O)c4cccs4)C3)n2)cc1 ZINC000032759890 525783916 /nfs/dbraw/zinc/78/39/16/525783916.db2.gz RTCNNWYACAGGBN-MRXNPFEDSA-N 0 0 411.552 4.671 50 0 HJAARN Cc1ccsc1C(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000032809383 525827134 /nfs/dbraw/zinc/82/71/34/525827134.db2.gz TYVBVHLVFXXGMZ-UHFFFAOYSA-N 0 0 406.916 4.763 50 0 HJAARN Cc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2S(=O)(=O)c2cccc(F)c2)cc1 ZINC000040451092 525867565 /nfs/dbraw/zinc/86/75/65/525867565.db2.gz ZJLYRSNTBHKDJZ-XMMPIXPASA-N 0 0 420.509 4.952 50 0 HJAARN Cc1ccc(-n2c(/C=C3\c4ccccc4N(C(C)C)C3=O)nc3ccccc3c2=O)cc1 ZINC000032010852 525891972 /nfs/dbraw/zinc/89/19/72/525891972.db2.gz HFTPAKARXZGVTG-CJLVFECKSA-N 0 0 421.500 4.990 50 0 HJAARN C[C@@H](Sc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1)c1nc(C(C)(C)C)no1 ZINC000044089196 526014824 /nfs/dbraw/zinc/01/48/24/526014824.db2.gz RWBIHNNLVWJSCX-QWHCGFSZSA-N 0 0 418.542 4.563 50 0 HJAARN C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)NCc2cccc(Cl)c2)CC1 ZINC000032843749 526183404 /nfs/dbraw/zinc/18/34/04/526183404.db2.gz XHEPHJFSRNNNMY-OAHLLOKOSA-N 0 0 414.962 4.538 50 0 HJAARN Cc1nn(COc2cccc(F)c2)c(C)c1NC(=O)c1cccc(Br)c1 ZINC000032610397 526283922 /nfs/dbraw/zinc/28/39/22/526283922.db2.gz UCLRFSLKUIJTBT-UHFFFAOYSA-N 0 0 418.266 4.690 50 0 HJAARN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N(C)CCOc1ccccc1Cl ZINC000032788943 526294907 /nfs/dbraw/zinc/29/49/07/526294907.db2.gz YJLUHDYZKHLNJI-UHFFFAOYSA-N 0 0 418.324 4.698 50 0 HJAARN Fc1ccc(-n2c(=S)n(CN3CCCSCC3)nc2-c2ccccc2)cc1 ZINC000032935462 526319554 /nfs/dbraw/zinc/31/95/54/526319554.db2.gz DEOQGTBEJBIUFR-UHFFFAOYSA-N 0 0 400.548 4.606 50 0 HJAARN c1ccc2c(c1)nc(-c1ccncc1)nc2Sc1nnc(-c2cccnc2)n1C1CC1 ZINC000032899823 526514996 /nfs/dbraw/zinc/51/49/96/526514996.db2.gz GARWBHATAMQTSJ-UHFFFAOYSA-N 0 0 423.505 4.831 50 0 HJAARN O=C(CC[C@@H]1Cc2ccccc2NC1=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000032900001 526561828 /nfs/dbraw/zinc/56/18/28/526561828.db2.gz MYKMTRPGBGZDRL-LJQANCHMSA-N 0 0 417.436 4.553 50 0 HJAARN Cc1nc(-c2cccc(NC(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)c2)cs1 ZINC000032675947 526590018 /nfs/dbraw/zinc/59/00/18/526590018.db2.gz HAPQNXHSNGCUMX-DNVCBOLYSA-N 0 0 405.523 4.667 50 0 HJAARN Cc1nc(-c2cccc(NC(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)c2)cs1 ZINC000032675949 526590804 /nfs/dbraw/zinc/59/08/04/526590804.db2.gz HAPQNXHSNGCUMX-HNAYVOBHSA-N 0 0 405.523 4.667 50 0 HJAARN O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(CCc2nc3ccccc3[nH]2)cc1 ZINC000032960742 526652741 /nfs/dbraw/zinc/65/27/41/526652741.db2.gz OLZQGDCBTZTYCG-UHFFFAOYSA-N 0 0 409.493 4.796 50 0 HJAARN Cc1oc2c(cc3c(C)c(CCC(=O)NCCCOC(C)C)c(=O)oc3c2C)c1C ZINC000040308994 526780090 /nfs/dbraw/zinc/78/00/90/526780090.db2.gz YTURSVHOGJXMBR-UHFFFAOYSA-N 0 0 413.514 4.637 50 0 biogenic HJAARN Cc1oc2ncnc(N3CCC[C@@H](C(=O)Nc4ccccc4C(F)(F)F)C3)c2c1C ZINC000032959879 526794149 /nfs/dbraw/zinc/79/41/49/526794149.db2.gz ZZLOZKLGOLEEQS-CQSZACIVSA-N 0 0 418.419 4.714 50 0 HJAARN O=C(c1ccsc1)N1CCC(C(=O)N(Cc2ccccc2)c2ccccc2)CC1 ZINC000032772363 526861708 /nfs/dbraw/zinc/86/17/08/526861708.db2.gz UFWVPUYTIHDLNV-UHFFFAOYSA-N 0 0 404.535 4.834 50 0 HJAARN O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000032475357 526870123 /nfs/dbraw/zinc/87/01/23/526870123.db2.gz NBIYSJFNGSFRJN-UGKGYDQZSA-N 0 0 422.912 4.691 50 0 HJAARN Cc1sc(NC(=O)c2cccc(Cl)c2)nc1-c1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000019796608 526883466 /nfs/dbraw/zinc/88/34/66/526883466.db2.gz IHDNEPUZZZCXMM-SNVBAGLBSA-N 0 0 413.886 4.744 50 0 HJAARN Cc1sc2c(c1C)c1nc(-c3ccco3)nn1c(=O)n2Cc1ccc(Cl)cc1 ZINC000032104555 526887235 /nfs/dbraw/zinc/88/72/35/526887235.db2.gz SRLAUWPJFVNWJV-UHFFFAOYSA-N 0 0 410.886 4.684 50 0 HJAARN Cc1sc2ncnc(N3CCCC3)c2c1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000033312530 526898664 /nfs/dbraw/zinc/89/86/64/526898664.db2.gz NRTLETGILMLOAJ-UHFFFAOYSA-N 0 0 406.433 4.871 50 0 HJAARN Cc1sc2ncnc(N3CCCCC3)c2c1C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000033312571 526900051 /nfs/dbraw/zinc/90/00/51/526900051.db2.gz LVBPQXWNMXIZBC-UHFFFAOYSA-N 0 0 406.433 4.660 50 0 HJAARN O=C(COCc1cc(-c2ccc3c(c2)OCO3)on1)Nc1cc(Cl)ccc1Cl ZINC000020494259 526939685 /nfs/dbraw/zinc/93/96/85/526939685.db2.gz ZMDGDHORFGQGIP-UHFFFAOYSA-N 0 0 421.236 4.532 50 0 HJAARN O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)Nc1cc(F)cc(F)c1 ZINC000032578948 526945382 /nfs/dbraw/zinc/94/53/82/526945382.db2.gz MSTFNYZIIRCCJV-UHFFFAOYSA-N 0 0 407.376 4.699 50 0 HJAARN O=C1CN(c2ccc(Cl)c(Cl)c2)C(=O)CN1c1ccc(Cl)c(Cl)c1 ZINC000000873034 527007580 /nfs/dbraw/zinc/00/75/80/527007580.db2.gz LBJZPGKWQVGQGH-UHFFFAOYSA-N 0 0 404.080 4.680 50 0 HJAARN O=C(Nc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1F)c1cc2ccccc2o1 ZINC000032796344 527128940 /nfs/dbraw/zinc/12/89/40/527128940.db2.gz QRBCEZFHBZVZAS-UHFFFAOYSA-N 0 0 418.380 4.805 50 0 HJAARN O=C(Nc1ccc(Br)cc1)[C@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC000020531085 527157308 /nfs/dbraw/zinc/15/73/08/527157308.db2.gz GNWNYCBZUWYGTF-FQEVSTJZSA-N 0 0 421.294 4.785 50 0 HJAARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000032909022 527248598 /nfs/dbraw/zinc/24/85/98/527248598.db2.gz WHTSXNVQOLRNPH-QHCPKHFHSA-N 0 0 416.477 4.635 50 0 HJAARN O=C(Nc1ccc2c(c1)OCCO2)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000032743480 527287840 /nfs/dbraw/zinc/28/78/40/527287840.db2.gz PFKJWGOXHYCVNC-UHFFFAOYSA-N 0 0 423.778 4.568 50 0 HJAARN O=C(Cn1c2ccccc2nc1C(=O)c1ccc(Cl)cc1)NCCC1=CCCCC1 ZINC000032959123 527360453 /nfs/dbraw/zinc/36/04/53/527360453.db2.gz CPDLXCVHKXOVJW-UHFFFAOYSA-N 0 0 421.928 4.927 50 0 HJAARN Nc1c(Cl)cc(NC(=O)Cn2c3ccccc3nc2C(F)(F)F)cc1Cl ZINC000045621867 527431453 /nfs/dbraw/zinc/43/14/53/527431453.db2.gz FKUQZYKCDVSCQE-UHFFFAOYSA-N 0 0 403.191 4.583 50 0 HJAARN O=C(Nc1ccccc1Oc1ccccc1Cl)[C@H]1CCCN(c2cnccn2)C1 ZINC000032803745 527434163 /nfs/dbraw/zinc/43/41/63/527434163.db2.gz VTUHJNXMJSGWAL-INIZCTEOSA-N 0 0 408.889 4.777 50 0 HJAARN Cn1ccnc1[C@H](NC(=O)NCCCn1ccc2ccccc21)c1ccc(Cl)cc1 ZINC000032802261 527463115 /nfs/dbraw/zinc/46/31/15/527463115.db2.gz FMRYSJRSDWOOFT-OAQYLSRUSA-N 0 0 421.932 4.507 50 0 HJAARN O=C(Nc1csc2ccccc12)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000020431956 527494884 /nfs/dbraw/zinc/49/48/84/527494884.db2.gz QFKMCHMDDQAVAD-UHFFFAOYSA-N 0 0 406.433 4.669 50 0 HJAARN O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccccc1Br ZINC000024750253 527499517 /nfs/dbraw/zinc/49/95/17/527499517.db2.gz YPIOMUHCGCCLLP-UHFFFAOYSA-N 0 0 401.285 4.760 50 0 HJAARN O=C(Nc1nc(-c2ccccc2Cl)cs1)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000032759885 527501897 /nfs/dbraw/zinc/50/18/97/527501897.db2.gz AQINGUKBNCNRLD-SFHVURJKSA-N 0 0 411.914 4.707 50 0 HJAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCC(=O)Nc3cc(C)ccc3C)cc(C)c12 ZINC000045990836 527523736 /nfs/dbraw/zinc/52/37/36/527523736.db2.gz SPDAXKYFFAWMBS-UHFFFAOYSA-N 0 0 414.509 4.980 50 0 HJAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCC(=O)Nc3ccc(C)c(F)c3)cc(C)c12 ZINC000045990918 527523792 /nfs/dbraw/zinc/52/37/92/527523792.db2.gz LUYODBCXHRTBBN-UHFFFAOYSA-N 0 0 418.472 4.811 50 0 HJAARN O=C(NC1CCN(C(=O)c2ccccc2)CC1)c1ccccc1CCc1ccccc1 ZINC000032845260 527524308 /nfs/dbraw/zinc/52/43/08/527524308.db2.gz YFANMVVOIHFBEL-UHFFFAOYSA-N 0 0 412.533 4.506 50 0 HJAARN Cc1nn(-c2ccc(C)cc2)c2nc(OCC(=O)Nc3ccc(F)cc3C)cc(C)c12 ZINC000045990875 527524285 /nfs/dbraw/zinc/52/42/85/527524285.db2.gz LEIIQWIVUJUXSR-UHFFFAOYSA-N 0 0 418.472 4.811 50 0 HJAARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1cccc(Br)c1)CC(=O)N2 ZINC000032100410 527526849 /nfs/dbraw/zinc/52/68/49/527526849.db2.gz QBUZTXRDGXVNMC-GFCCVEGCSA-N 0 0 418.682 4.510 50 0 HJAARN CCCCC(=O)Nc1c2ccccc2oc1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000006780281 534953199 /nfs/dbraw/zinc/95/31/99/534953199.db2.gz GWSDIOKBMBJGKS-UHFFFAOYSA-N 0 0 423.488 4.663 50 0 HJAARN COc1ccccc1/C=C/[C@H]1Nc2ccccc2C(=O)N1c1ccc2c(c1)OCO2 ZINC000007884973 536981580 /nfs/dbraw/zinc/98/15/80/536981580.db2.gz HFSRQINIDAQXFS-YYVWFHOOSA-N 0 0 400.434 4.536 50 0 HJAARN COc1ccccc1CNC(=O)c1sc2nc(C)nc(N3CCCC[C@@H]3C)c2c1C ZINC000002924410 537046958 /nfs/dbraw/zinc/04/69/58/537046958.db2.gz LNIXWNIKTUPZMH-AWEZNQCLSA-N 0 0 424.570 4.626 50 0 HJAARN CC(C)C[C@H](C)NC(=O)[C@H](C)Oc1ccc(Br)cc1Br ZINC000002065859 557305540 /nfs/dbraw/zinc/30/55/40/557305540.db2.gz BLHDLBZVGKBGJM-QWRGUYRKSA-N 0 0 407.146 4.530 50 0 HJAARN COC(=O)c1c(NC(=O)COc2ccc(-c3ccccc3)cc2)sc2c1CCC2 ZINC000000622425 557019809 /nfs/dbraw/zinc/01/98/09/557019809.db2.gz VRONZACBTPPVAC-UHFFFAOYSA-N 0 0 407.491 4.708 50 0 HJAARN O=C(N[C@H](Nc1ccc(Br)cc1)C(=O)c1ccccc1)c1ccccc1 ZINC000000625069 557021546 /nfs/dbraw/zinc/02/15/46/557021546.db2.gz WQOBVRBXAXULBN-FQEVSTJZSA-N 0 0 409.283 4.500 50 0 HJAARN Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nc3ccccc3c2=O)cc1 ZINC000000633437 557028560 /nfs/dbraw/zinc/02/85/60/557028560.db2.gz OAQLGYQWPRBEND-UHFFFAOYSA-N 0 0 419.481 4.564 50 0 HJAARN Cc1ccc(-n2c(SCC(=O)OC(C)C)nnc2-c2ccc(Cl)cc2)cc1 ZINC000000634688 557029081 /nfs/dbraw/zinc/02/90/81/557029081.db2.gz KDMZIQYYXNDJDT-UHFFFAOYSA-N 0 0 401.919 4.940 50 0 HJAARN Fc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2cccc(F)c2)cc1 ZINC000000635830 557029382 /nfs/dbraw/zinc/02/93/82/557029382.db2.gz XRTBKCWHMCZXPD-DHIUTWEWSA-N 0 0 414.415 4.769 50 0 HJAARN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccco3)c2C(=O)N2CCCC2)C1 ZINC000000643919 557034276 /nfs/dbraw/zinc/03/42/76/557034276.db2.gz SYEIERVPFCPBDN-AWEZNQCLSA-N 0 0 400.544 4.980 50 0 HJAARN CC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3c(C)cc(C)cc3C)cc21 ZINC000000645646 557035277 /nfs/dbraw/zinc/03/52/77/557035277.db2.gz OWYPAYVFCQDKPA-UHFFFAOYSA-N 0 0 413.495 4.611 50 0 HJAARN O=c1c2c(n(-c3ccc(Cl)cc3)c(=S)n1-c1ccc(Cl)cc1)OCCC2 ZINC000000646874 557036813 /nfs/dbraw/zinc/03/68/13/557036813.db2.gz MFHMAQWYCKGKNT-UHFFFAOYSA-N 0 0 405.306 4.989 50 0 HJAARN 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CCOc1ccc(S(=O)(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 ZINC000002179493 557322600 /nfs/dbraw/zinc/32/26/00/557322600.db2.gz DOOXGHAIPYXGKY-UHFFFAOYSA-N 0 0 420.383 4.604 50 0 HJAARN Cc1ccc(S(=O)(=O)NCCCCCC(=O)Nc2cccc3ccccc32)cc1 ZINC000002184258 557324042 /nfs/dbraw/zinc/32/40/42/557324042.db2.gz JXBGVMOKWGNZAW-UHFFFAOYSA-N 0 0 410.539 4.626 50 0 HJAARN COC(=O)c1cc(COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2)c(C)o1 ZINC000002228183 557329101 /nfs/dbraw/zinc/32/91/01/557329101.db2.gz AYYOABCXWKSFDN-UHFFFAOYSA-N 0 0 418.445 4.959 50 0 HJAARN CCOC(=O)CCc1c(C)c2cc(Cl)c(OCc3cccc(F)c3)cc2oc1=O ZINC000002263421 557332431 /nfs/dbraw/zinc/33/24/31/557332431.db2.gz GANPGHMLNOONTC-UHFFFAOYSA-N 0 0 418.848 4.969 50 0 HJAARN O=C(NCC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl ZINC000002357411 557340113 /nfs/dbraw/zinc/34/01/13/557340113.db2.gz STOKEKZWASVJNL-UHFFFAOYSA-N 0 0 413.304 4.880 50 0 HJAARN O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(F)cc2)N1c1nccs1 ZINC000002400255 557344709 /nfs/dbraw/zinc/34/47/09/557344709.db2.gz 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CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2F)sc1NC(=O)C(C)(C)C ZINC000002475568 557351109 /nfs/dbraw/zinc/35/11/09/557351109.db2.gz GPPCHKCTDAZWRS-UHFFFAOYSA-N 0 0 406.479 4.609 50 0 HJAARN Cc1oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2c1C(=O)OC(C)C ZINC000002484253 557351617 /nfs/dbraw/zinc/35/16/17/557351617.db2.gz BPHKLSSVLUYEOB-UHFFFAOYSA-N 0 0 407.875 4.761 50 0 HJAARN Cc1coc(C)c1C(=O)C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 ZINC000002493135 557352342 /nfs/dbraw/zinc/35/23/42/557352342.db2.gz IZGUVVSIYVQBIU-QHCPKHFHSA-N 0 0 409.869 4.557 50 0 HJAARN COc1ccc(CCNc2nc(C(F)(F)F)nc3c(C)cc(C)cc23)cc1OC ZINC000002684997 557367466 /nfs/dbraw/zinc/36/74/66/557367466.db2.gz MHYZWCMBWDJNJY-UHFFFAOYSA-N 0 0 405.420 4.937 50 0 HJAARN Cc1ccc(S(=O)(=O)c2nc(N3CCc4ccccc4C3)sc2Cl)cc1 ZINC000002690423 557368145 /nfs/dbraw/zinc/36/81/45/557368145.db2.gz SMUDPLMWQILIOO-UHFFFAOYSA-N 0 0 404.944 4.500 50 0 HJAARN Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(O)cc1)N(Cc1ccc(F)cc1)C3=O ZINC000002704183 557369064 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COc1cc(-c2nc(C(=O)NCC(C)C)cs2)ccc1OCc1ccccc1F ZINC000034712200 557391699 /nfs/dbraw/zinc/39/16/99/557391699.db2.gz GTNPEABSCBATOJ-UHFFFAOYSA-N 0 0 414.502 4.923 50 0 HJAARN CCN(C)C(=O)c1csc(-c2ccc(OCc3cccc(OC)c3)cc2F)n1 ZINC000034713432 557393056 /nfs/dbraw/zinc/39/30/56/557393056.db2.gz QAPYAAQNVHUIBM-UHFFFAOYSA-N 0 0 400.475 4.629 50 0 HJAARN Cc1ccc(C)c(N[C@H](CC(=O)c2ccccc2)C(=O)OCC(=O)c2cccs2)c1 ZINC000002819302 557395732 /nfs/dbraw/zinc/39/57/32/557395732.db2.gz BTCDBQRBHUWBDQ-HXUWFJFHSA-N 0 0 421.518 4.845 50 0 HJAARN CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000002826400 557397162 /nfs/dbraw/zinc/39/71/62/557397162.db2.gz OFDJWXCOMWIIBL-UHFFFAOYSA-N 0 0 416.521 4.932 50 0 HJAARN Cc1nnc(SCc2ccc(F)cc2)n1NCc1cccc(Br)c1 ZINC000002845434 557402479 /nfs/dbraw/zinc/40/24/79/557402479.db2.gz ZFMTVGJJPCHQRY-UHFFFAOYSA-N 0 0 407.312 4.524 50 0 HJAARN CCCCc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 ZINC000002851143 557404589 /nfs/dbraw/zinc/40/45/89/557404589.db2.gz IJLJLTSIBKOSJE-UHFFFAOYSA-N 0 0 416.587 4.677 50 0 HJAARN CCCc1cc(=O)oc2c(C)c(OCC(=O)c3ccc(N4CCCC4)cc3)ccc12 ZINC000002851900 557405150 /nfs/dbraw/zinc/40/51/50/557405150.db2.gz OMXPMMGQUXWOQG-UHFFFAOYSA-N 0 0 405.494 4.916 50 0 aggregator HJAARN Cc1ccc2oc(-c3cc(NC(=O)c4cncc(Br)c4)ccc3O)nc2c1 ZINC000002854614 557406528 /nfs/dbraw/zinc/40/65/28/557406528.db2.gz WFLRQWFOMABQIS-UHFFFAOYSA-N 0 0 424.254 4.919 50 0 HJAARN COc1ccc(NC(=O)Nc2ccn(Cc3cccc4ccccc43)n2)c(OC)c1 ZINC000002858169 557408409 /nfs/dbraw/zinc/40/84/09/557408409.db2.gz HVOSDHMLUJGQSJ-UHFFFAOYSA-N 0 0 402.454 4.746 50 0 HJAARN O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccccc2F)N1Cc1ccccc1 ZINC000002861557 557410274 /nfs/dbraw/zinc/41/02/74/557410274.db2.gz AVPOCVOCZNEIQI-OAQYLSRUSA-N 0 0 403.384 4.817 50 0 HJAARN COCCSc1ccccc1C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000002865319 557411557 /nfs/dbraw/zinc/41/15/57/557411557.db2.gz UGLURWNWJLQQCQ-UHFFFAOYSA-N 0 0 419.959 4.773 50 0 HJAARN CCCC(=O)Nc1cccc(C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)c1 ZINC000002865269 557411603 /nfs/dbraw/zinc/41/16/03/557411603.db2.gz MQAUJOZODQBIQC-UHFFFAOYSA-N 0 0 414.527 4.795 50 0 HJAARN Cc1ccc(N(CC(=O)Nc2cccc(C)c2C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000002872995 557415726 /nfs/dbraw/zinc/41/57/26/557415726.db2.gz KDJJKVCQZBPIJM-UHFFFAOYSA-N 0 0 422.550 4.754 50 0 HJAARN Cc1cccc(C)c1NC(=S)NC[C@H](C)NC(=S)Nc1c(C)cccc1C ZINC000002873713 557415993 /nfs/dbraw/zinc/41/59/93/557415993.db2.gz NLRNRQVQKWKYFH-KRWDZBQOSA-N 0 0 400.617 4.582 50 0 HJAARN CCCCSc1nnc2c(n1)O[C@H](c1ccc(OC)c(O)c1)Nc1ccccc1-2 ZINC000002882714 557420156 /nfs/dbraw/zinc/42/01/56/557420156.db2.gz FZXNAIIOYDXTOZ-LJQANCHMSA-N 0 0 410.499 4.648 50 0 HJAARN COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc(OC)c1OC ZINC000002884368 557421280 /nfs/dbraw/zinc/42/12/80/557421280.db2.gz MQROCGPFXMRSHO-UHFFFAOYSA-N 0 0 424.419 4.584 50 0 HJAARN Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3O)oc2c1 ZINC000002885389 557421798 /nfs/dbraw/zinc/42/17/98/557421798.db2.gz YQYBVUXRQGSNNY-UHFFFAOYSA-N 0 0 417.490 4.565 50 0 HJAARN O=C(CCC(=O)OCCCC(F)(F)C(F)(F)F)Nc1nc2ccccc2s1 ZINC000002885583 557422128 /nfs/dbraw/zinc/42/21/28/557422128.db2.gz FQOJBZLBESQHGM-UHFFFAOYSA-N 0 0 410.364 4.536 50 0 HJAARN O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccccc1Br ZINC000002950349 557430201 /nfs/dbraw/zinc/43/02/01/557430201.db2.gz HRYUCQDZVIVUCV-UHFFFAOYSA-N 0 0 411.234 4.574 50 0 HJAARN O=C(NCC1CC1)c1csc(-c2ccc(OCc3ccc(F)c(F)c3)cc2)n1 ZINC000034717210 557430882 /nfs/dbraw/zinc/43/08/82/557430882.db2.gz NUVSWRNJTCDYHG-UHFFFAOYSA-N 0 0 400.450 4.807 50 0 HJAARN O=C(NCC1CC1)c1csc(-c2cccc(OCc3ccc(F)c(F)c3)c2)n1 ZINC000034717428 557431622 /nfs/dbraw/zinc/43/16/22/557431622.db2.gz FRSZKOCYRYTZTR-UHFFFAOYSA-N 0 0 400.450 4.807 50 0 HJAARN CSc1nnc2c(n1)O[C@H](c1cccs1)Nc1ccc(Br)cc1-2 ZINC000002978094 557433994 /nfs/dbraw/zinc/43/39/94/557433994.db2.gz VVONWUOEZOBLRD-CYBMUJFWSA-N 0 0 407.318 4.588 50 0 HJAARN O=C(NC(=S)Nc1ccc2oc(-c3cccnc3)nc2c1)c1cccc(Cl)c1 ZINC000002982079 557435529 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Cc1cccc(Oc2nc(N3CCCC3)nc3c2CN(Cc2cccs2)CC3)c1 ZINC000034755660 557458125 /nfs/dbraw/zinc/45/81/25/557458125.db2.gz XURSZMXQBHMIAQ-UHFFFAOYSA-N 0 0 406.555 4.797 50 0 HJAARN COc1ccccc1-c1cc(C(=O)N[C@H](C)C(C)C)nc2cc(-c3ccccc3)nn21 ZINC000034832924 557466879 /nfs/dbraw/zinc/46/68/79/557466879.db2.gz CGLBKPMMLSNSAR-QGZVFWFLSA-N 0 0 414.509 4.846 50 0 HJAARN CCCCCNC(=O)c1cc(-c2cccc(OC)c2)n2nc(-c3ccccc3)cc2n1 ZINC000034832861 557466953 /nfs/dbraw/zinc/46/69/53/557466953.db2.gz XJEGDJVWMCDDKG-UHFFFAOYSA-N 0 0 414.509 4.992 50 0 HJAARN COc1ccc(-c2cc(C(=O)NC3CCCCC3)n3nc(C(C)(C)C)cc3n2)cc1 ZINC000034833464 557467078 /nfs/dbraw/zinc/46/70/78/557467078.db2.gz XRQJQFKWGZTPHI-UHFFFAOYSA-N 0 0 406.530 4.765 50 0 HJAARN CCn1c(=O)cc(-c2ccccc2)c2ccc(OCC(=O)Nc3cccc(F)c3)cc21 ZINC000034836065 557467895 /nfs/dbraw/zinc/46/78/95/557467895.db2.gz FFUBHMHRIVWYMP-UHFFFAOYSA-N 0 0 416.452 4.845 50 0 HJAARN COc1ccc(OC)c(-c2n[nH]c(C)c2NC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000034794053 557470478 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COc1ccc(-c2cc(CN(Cc3ccco3)C(=O)Cc3ccccc3)no2)cc1 ZINC000034922167 557484270 /nfs/dbraw/zinc/48/42/70/557484270.db2.gz BIPSWMDYSXTBQK-UHFFFAOYSA-N 0 0 402.450 4.715 50 0 HJAARN Cc1cccc([C@@H]2[C@H](C(=O)NCCc3ccccc3)c3ccccc3C(=O)N2C2CC2)c1 ZINC000034924119 557484690 /nfs/dbraw/zinc/48/46/90/557484690.db2.gz WMCVZHPDDXUHLS-CLJLJLNGSA-N 0 0 424.544 4.797 50 0 HJAARN CCOc1ccc2[nH]c(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)nc2c1 ZINC000003618428 557494650 /nfs/dbraw/zinc/49/46/50/557494650.db2.gz OILRITYNNJXVEY-UHFFFAOYSA-N 0 0 411.405 4.591 50 0 HJAARN COc1ccc(OC)c([C@H]2Cc3[nH]c(C(=O)O[C@H]4CCC[C@@H]4C)c(C)c3C(=O)C2)c1 ZINC000004134278 557518306 /nfs/dbraw/zinc/51/83/06/557518306.db2.gz KBFNCLYMPJJHTQ-KPHUOKFYSA-N 0 0 411.498 4.598 50 0 HJAARN COc1ccc(OC)c([C@H]2Cc3[nH]c(C(=O)O[C@@H]4CCC[C@H]4C)c(C)c3C(=O)C2)c1 ZINC000004134279 557518340 /nfs/dbraw/zinc/51/83/40/557518340.db2.gz KBFNCLYMPJJHTQ-IAMHBRQHSA-N 0 0 411.498 4.598 50 0 HJAARN C[C@@H]1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccccc2)N3)[C@H](C)C1 ZINC000004164398 557522657 /nfs/dbraw/zinc/52/26/57/557522657.db2.gz RITNIPPOVKZPDM-SZXPJGKVSA-N 0 0 406.452 4.804 50 0 HJAARN C[C@H](NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2)c1ccccc1 ZINC000004223203 557530151 /nfs/dbraw/zinc/53/01/51/557530151.db2.gz DBCALZNRLMASGI-QEORTHHSSA-N 0 0 404.392 4.627 50 0 HJAARN Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000004394965 557551807 /nfs/dbraw/zinc/55/18/07/557551807.db2.gz CTPHWSREMOHTQY-ZCNNSNEGSA-N 0 0 423.557 4.586 50 0 HJAARN N=c1sc(Cc2ccccc2Cl)cn1CC(=O)c1ccc(Br)cc1 ZINC000004470817 557556528 /nfs/dbraw/zinc/55/65/28/557556528.db2.gz MHRHKQUQBOHIRK-UHFFFAOYSA-N 0 0 421.747 4.919 50 0 HJAARN CCOC(=O)c1[nH]c2c(c1-c1ccccc1)C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 ZINC000004488751 557559211 /nfs/dbraw/zinc/55/92/11/557559211.db2.gz AJFINBIBIHGQFB-QGZVFWFLSA-N 0 0 419.477 4.788 50 0 HJAARN COc1ccc(C(=O)NC(=S)Nc2ccc(C)c(Cl)c2)cc1Br ZINC000004575037 557569091 /nfs/dbraw/zinc/56/90/91/557569091.db2.gz XOGWXLNRMJBVIC-UHFFFAOYSA-N 0 0 413.724 4.546 50 0 HJAARN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 ZINC000004593057 557570506 /nfs/dbraw/zinc/57/05/06/557570506.db2.gz WNJXBOGCYMJUMP-JHKMYJBPSA-N 0 0 423.553 4.840 50 0 HJAARN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccncc2)c(C)c1 ZINC000004622276 557573580 /nfs/dbraw/zinc/57/35/80/557573580.db2.gz BMGXGMDXZKJPOU-HSZRJFAPSA-N 0 0 409.493 4.976 50 0 HJAARN CCOc1ccc([C@@H](CCc2ccccc2)NC(=O)c2cccnc2)cc1OCC ZINC000004656343 557576422 /nfs/dbraw/zinc/57/64/22/557576422.db2.gz KDPRYRWYAYSOLS-JOCHJYFZSA-N 0 0 404.510 4.983 50 0 HJAARN CC(C)Oc1ccc(C(=O)NC(=S)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004657383 557576878 /nfs/dbraw/zinc/57/68/78/557576878.db2.gz ZWYKGSIILJVXDE-SCUMNGBJSA-N 0 0 400.588 4.683 50 0 HJAARN Cc1ccc(OCc2nn3c(nnc3-c3ccccc3Br)s2)cc1 ZINC000004664998 557578361 /nfs/dbraw/zinc/57/83/61/557578361.db2.gz 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CCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 ZINC000004911153 557612511 /nfs/dbraw/zinc/61/25/11/557612511.db2.gz FZZRORTWRRRVHV-KRWDZBQOSA-N 0 0 413.514 4.990 50 0 HJAARN Cc1ccc(COC(=O)C2=C(C)NC(=O)C[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000004913368 557613232 /nfs/dbraw/zinc/61/32/32/557613232.db2.gz BZQWNRJDTHHMQR-KRWDZBQOSA-N 0 0 404.293 4.923 50 0 HJAARN Cc1nc2sc3c(c2c(=N)n1N)C[C@@H](c1ccccc1)S[C@@H]3c1ccccc1 ZINC000004950164 557616366 /nfs/dbraw/zinc/61/63/66/557616366.db2.gz MCDQFFDUGYETJT-PKOBYXMFSA-N 0 0 404.564 4.719 50 0 HJAARN Cc1ccc(SCc2cc(=O)[nH]c(Nc3nc(C)c4ccc(C)cc4n3)n2)cc1 ZINC000005045070 557629308 /nfs/dbraw/zinc/62/93/08/557629308.db2.gz YKUSHFGLWXCCAP-UHFFFAOYSA-N 0 0 403.511 4.674 50 0 HJAARN CCOC(=O)c1cc(-c2ccc(C)cc2)n(CCC(=O)NCc2cccs2)c1C ZINC000005054233 557631550 /nfs/dbraw/zinc/63/15/50/557631550.db2.gz OVZBCWDMJIIZBN-UHFFFAOYSA-N 0 0 410.539 4.717 50 0 HJAARN COc1ccc(C2=NN(C(=O)c3ccccc3)[C@H](c3ccccc3)C2)c(OC(C)=O)c1 ZINC000005062881 557633008 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CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccccc1OC ZINC000005478624 557656339 /nfs/dbraw/zinc/65/63/39/557656339.db2.gz DQUHRHUOFYACRH-UHFFFAOYSA-N 0 0 410.543 4.828 50 0 HJAARN CCC[C@H](C)n1[nH]c(=O)c2c1NC(=O)CS[C@H]2c1ccc(Br)cc1 ZINC000005509171 557658806 /nfs/dbraw/zinc/65/88/06/557658806.db2.gz LITJDAMZUQFAPD-BONVTDFDSA-N 0 0 410.337 4.724 50 0 HJAARN COc1ccc(OCc2nn3c(nnc3-c3ccc(Cl)cc3Cl)s2)cc1 ZINC000005556618 557661828 /nfs/dbraw/zinc/66/18/28/557661828.db2.gz HSPVFWWSSPZDNJ-UHFFFAOYSA-N 0 0 407.282 4.747 50 0 HJAARN COc1ccc(-c2nc(SCc3ccc(OC)c(Br)c3)n[nH]2)cc1 ZINC000005558804 557661949 /nfs/dbraw/zinc/66/19/49/557661949.db2.gz BJUXWJHLGJPEOM-UHFFFAOYSA-N 0 0 406.305 4.544 50 0 HJAARN CCOC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2[C@@H]1c1ccc(C(C)C)cc1 ZINC000005598089 557664238 /nfs/dbraw/zinc/66/42/38/557664238.db2.gz AVFZEEDUYLOQQJ-JOCHJYFZSA-N 0 0 420.534 4.771 50 0 HJAARN CCOC(=O)c1cc(C(=O)c2ccc(F)cc2)n2ccc(C(=O)c3ccccc3)cc12 ZINC000005672966 557667940 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ZINC000002707288 557744306 /nfs/dbraw/zinc/74/43/06/557744306.db2.gz XHSCQTGZVIVAEB-FGZHOGPDSA-N 0 0 416.481 5.000 50 0 HJAARN O=C(CSc1nnc(-c2ccccc2F)o1)Nc1nc(-c2ccccc2)cs1 ZINC000002720324 557746936 /nfs/dbraw/zinc/74/69/36/557746936.db2.gz MGLVUVAONWLVIM-UHFFFAOYSA-N 0 0 412.471 4.730 50 0 HJAARN CSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Br)cc1 ZINC000002721799 557747651 /nfs/dbraw/zinc/74/76/51/557747651.db2.gz XFAUPCURKWFQFK-UHFFFAOYSA-N 0 0 416.343 4.720 50 0 aggregator HJAARN CC[C@@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 ZINC000002742279 557752873 /nfs/dbraw/zinc/75/28/73/557752873.db2.gz NUCIYOSLQXSIIG-QGZVFWFLSA-N 0 0 401.528 4.988 50 0 HJAARN CCCCC1CCC(C(=O)Nc2c3c(nn2-c2ccccc2C)C[S@](=O)C3)CC1 ZINC000002724926 557753207 /nfs/dbraw/zinc/75/32/07/557753207.db2.gz LUSZPVWFGPWQAK-ZBOLRPPQSA-N 0 0 413.587 4.878 50 0 HJAARN COC(=O)c1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)c1cnccn1 ZINC000002761783 557755523 /nfs/dbraw/zinc/75/55/23/557755523.db2.gz RSHPFWSGZHUCIS-UHFFFAOYSA-N 0 0 408.266 4.551 50 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/nfs/dbraw/zinc/78/84/14/557788414.db2.gz TTXIYPREAXMAGR-LVWGJNHUSA-N 0 0 418.547 4.767 50 0 HJAARN O=C1[C@H]2[C@H](C(=O)N1c1cccc(Br)c1)[C@@H]1c3ccccc3[C@H]2C=C1Cl ZINC000008442566 557789885 /nfs/dbraw/zinc/78/98/85/557789885.db2.gz MCKXPDXJJQJJHD-VDHUWJSZSA-N 0 0 414.686 4.572 50 0 HJAARN CSc1nnc2c(n1)O[C@@H]([C@@H]1CC=C(C)CC1)Nc1ccc(Br)cc1-2 ZINC000008452718 557790989 /nfs/dbraw/zinc/79/09/89/557790989.db2.gz XEVOKVAMDQKPEH-BZNIZROVSA-N 0 0 419.348 4.900 50 0 HJAARN Cc1ccc(C(=O)[C@H](CC(=O)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000008475329 557792472 /nfs/dbraw/zinc/79/24/72/557792472.db2.gz CRXJLRMYBCJVKZ-QHCPKHFHSA-N 0 0 406.503 4.602 50 0 HJAARN CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1=O ZINC000008475502 557792746 /nfs/dbraw/zinc/79/27/46/557792746.db2.gz YOEPSSUZJCWUJX-INIZCTEOSA-N 0 0 414.461 4.976 50 0 HJAARN O=S(=O)(Oc1ccc(C2SCCS2)cc1)c1ccc(Br)cc1 ZINC000002534620 557811492 /nfs/dbraw/zinc/81/14/92/557811492.db2.gz DBDJKXDXJCPDGM-UHFFFAOYSA-N 0 0 417.371 4.695 50 0 HJAARN Cc1ccc(C)c(CSc2nccn(-c3ccc(Br)cc3)c2=O)c1 ZINC000022796409 557823391 /nfs/dbraw/zinc/82/33/91/557823391.db2.gz UJCKOOOBLJVSIF-UHFFFAOYSA-N 0 0 401.329 4.904 50 0 HJAARN O=c1cc(CSc2ccccn2)n(CCc2ccccc2)c2nc3ccccc3n21 ZINC000009264714 557833871 /nfs/dbraw/zinc/83/38/71/557833871.db2.gz YVCMQMUNOFLVHJ-UHFFFAOYSA-N 0 0 412.518 4.579 50 0 HJAARN Brc1ccc(-c2nn3c(nnc3-c3cc(-c4ccccc4)n[nH]3)s2)cc1 ZINC000009292171 557834769 /nfs/dbraw/zinc/83/47/69/557834769.db2.gz XSKFIEIAQZCTLR-UHFFFAOYSA-N 0 0 423.299 4.672 50 0 HJAARN O=C(NCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1cccs1 ZINC000009355913 557838861 /nfs/dbraw/zinc/83/88/61/557838861.db2.gz ORNXGJJAHHSLBL-UHFFFAOYSA-N 0 0 415.518 4.513 50 0 HJAARN COc1ccc(NC(=O)c2cnn3c2N[C@H](c2cccs2)C[C@H]3C(F)(F)F)cc1 ZINC000009410415 557841544 /nfs/dbraw/zinc/84/15/44/557841544.db2.gz BACLCLWSXIOKNZ-HOCLYGCPSA-N 0 0 422.432 4.866 50 0 HJAARN CCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)Nc2ccc(C(C)C)cc2)c1 ZINC000009661435 557847268 /nfs/dbraw/zinc/84/72/68/557847268.db2.gz QDVOWMJUTYSSFN-UHFFFAOYSA-N 0 0 400.482 4.534 50 0 HJAARN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)Nc2nccs2)cc1 ZINC000009668163 557848071 /nfs/dbraw/zinc/84/80/71/557848071.db2.gz UUGCNWNTCLJHQM-UHFFFAOYSA-N 0 0 422.293 4.720 50 0 HJAARN O=C(Cn1nc(-c2ccc3ccccc3c2)ccc1=O)Nc1cccc(C(F)(F)F)c1 ZINC000010131984 557856057 /nfs/dbraw/zinc/85/60/57/557856057.db2.gz GJHGJXLVSQLUBZ-UHFFFAOYSA-N 0 0 423.394 4.721 50 0 HJAARN CCOc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019720807 558258996 /nfs/dbraw/zinc/25/89/96/558258996.db2.gz HETVXAOXTDUYDJ-UHFFFAOYSA-N 0 0 400.522 4.633 50 0 HJAARN CSc1ccccc1C(=O)[C@@H]1CCCN(Cc2sc(N(C)C)nc2Cl)C1 ZINC000019743627 558264312 /nfs/dbraw/zinc/26/43/12/558264312.db2.gz POJKAUZZNUEHTR-CYBMUJFWSA-N 0 0 410.008 4.679 50 0 HJAARN Cc1cccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(F)c2F)n1 ZINC000011665242 558268718 /nfs/dbraw/zinc/26/87/18/558268718.db2.gz HFFPYMAOLPUHEX-QHCPKHFHSA-N 0 0 403.432 4.937 50 0 HJAARN Cc1cc(C)cc(OCCn2c3ccccc3nc2[C@H](C)NC(=O)c2ccco2)c1 ZINC000011667259 558269256 /nfs/dbraw/zinc/26/92/56/558269256.db2.gz DUOIUBWFFHOAQM-SFHVURJKSA-N 0 0 403.482 4.816 50 0 HJAARN Cc1cc(C(=O)N2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)c(F)c3)C2)nc(C)n1 ZINC000011702221 558270568 /nfs/dbraw/zinc/27/05/68/558270568.db2.gz WNGZXVXLTBXIAU-HXUWFJFHSA-N 0 0 417.484 4.635 50 0 HJAARN CC(=O)c1cc(C(=O)N2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cs1 ZINC000011714529 558271803 /nfs/dbraw/zinc/27/18/03/558271803.db2.gz HNGCGLTVHFJDFY-CQSZACIVSA-N 0 0 409.429 4.705 50 0 HJAARN CCOC(=O)C1(CC2CC2)CCN(Cc2cnc(-c3ccc(Cl)cc3)nc2)CC1 ZINC000011775712 558274808 /nfs/dbraw/zinc/27/48/08/558274808.db2.gz PHFLZPRECGTISU-UHFFFAOYSA-N 0 0 413.949 4.742 50 0 HJAARN CNC(=O)COc1ccc(-c2csc3ccccc32)cc1CN(C)Cc1ccoc1 ZINC000011787619 558276426 /nfs/dbraw/zinc/27/64/26/558276426.db2.gz BROSGDZAMGDTLD-UHFFFAOYSA-N 0 0 420.534 4.918 50 0 HJAARN CCn1ccnc1CNCc1cn(-c2ccc(OC)cc2)nc1-c1ccccc1Cl ZINC000011819686 558283033 /nfs/dbraw/zinc/28/30/33/558283033.db2.gz SVJAUXJLWUPUGT-UHFFFAOYSA-N 0 0 421.932 4.708 50 0 HJAARN CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)CCc2ccccn2)cc1 ZINC000011821054 558284228 /nfs/dbraw/zinc/28/42/28/558284228.db2.gz HUFOAORVFZTIBH-JOCHJYFZSA-N 0 0 402.542 4.691 50 0 HJAARN COc1ccc2c(c1)C=C(C(=O)Nc1ncc(Cc3cccc(C)c3)s1)C=CO2 ZINC000019809980 558286653 /nfs/dbraw/zinc/28/66/53/558286653.db2.gz AEYQJYKNYUERKY-UHFFFAOYSA-N 0 0 404.491 4.979 50 0 HJAARN Cc1c(C(=O)NCc2cccnc2)sc2ncnc(N[C@H](C)c3cccs3)c12 ZINC000011910260 558296569 /nfs/dbraw/zinc/29/65/69/558296569.db2.gz ZYIAIXIZJNSZSX-CYBMUJFWSA-N 0 0 409.540 4.559 50 0 HJAARN CC(=O)Nc1s/c(=N\c2ccccc2)n(C[C@@H]2CCCO2)c1-c1ccc(C)cc1 ZINC000019898434 558304401 /nfs/dbraw/zinc/30/44/01/558304401.db2.gz FQNHWKWDRRPJAR-ZPKJPUMHSA-N 0 0 407.539 4.895 50 0 HJAARN Cc1oc(-c2ccccc2)cc1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000019924705 558307606 /nfs/dbraw/zinc/30/76/06/558307606.db2.gz NXCKJEBIJZCKFI-UHFFFAOYSA-N 0 0 415.415 4.631 50 0 HJAARN COc1cc(/C=C2/SC(=N)NC2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000019943336 558314241 /nfs/dbraw/zinc/31/42/41/558314241.db2.gz YBNKVKLQRCYOTA-FRKPEAEDSA-N 0 0 409.294 4.720 50 0 HJAARN Cc1nn(C)c(Cl)c1CN[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 ZINC000012072372 558317747 /nfs/dbraw/zinc/31/77/47/558317747.db2.gz BJXQXZJDXKIQDP-GOSISDBHSA-N 0 0 401.917 4.510 50 0 HJAARN O=C(NC[C@@H]1Cc2cc(Cl)cc(-c3ccc4[nH]ccc4c3)c2O1)c1cccnc1 ZINC000012121910 558330689 /nfs/dbraw/zinc/33/06/89/558330689.db2.gz HRHLDVNXMXYATM-IBGZPJMESA-N 0 0 403.869 4.617 50 0 HJAARN Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1ccccc1OCc1ccc(Cl)cc1 ZINC000020103900 558332908 /nfs/dbraw/zinc/33/29/08/558332908.db2.gz SECPBKPILAELHM-UHFFFAOYSA-N 0 0 424.888 4.573 50 0 HJAARN O=C(Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1)c1sc2ccccc2c1Cl ZINC000012138588 558334340 /nfs/dbraw/zinc/33/43/40/558334340.db2.gz USJLKZCURJXTOG-HNNXBMFYSA-N 0 0 414.914 4.716 50 0 HJAARN COc1ccc(CCNc2ncnc3sc(C(=O)N4CCCC[C@H]4C)c(C)c32)cc1 ZINC000012149557 558338616 /nfs/dbraw/zinc/33/86/16/558338616.db2.gz ARHGKYHBFSOVDB-OAHLLOKOSA-N 0 0 424.570 4.678 50 0 HJAARN Cc1csc(SCC(=O)N2CCC[C@H](c3n[nH]cc3-c3ccccc3C)C2)n1 ZINC000012151521 558339051 /nfs/dbraw/zinc/33/90/51/558339051.db2.gz ZKCHFRSVLCQWLM-INIZCTEOSA-N 0 0 412.584 4.648 50 0 HJAARN Cc1c(C(=O)NCC(C)C)sc2ncnc(NCCc3c[nH]c4ccccc34)c12 ZINC000012150558 558339165 /nfs/dbraw/zinc/33/91/65/558339165.db2.gz GIWFRTDEWZOIQO-UHFFFAOYSA-N 0 0 407.543 4.521 50 0 HJAARN CSc1ccc(NC(=O)[C@H]2CC23CCN(C(=O)/C=C/c2ccccc2)CC3)cc1 ZINC000012166218 558342569 /nfs/dbraw/zinc/34/25/69/558342569.db2.gz HKDZXDLASDEGLS-JYNAJPCDSA-N 0 0 406.551 4.689 50 0 HJAARN COc1ccc(-c2nnc(SCC(=O)c3cc(C)n(Cc4ccco4)c3C)o2)cc1 ZINC000010680108 558349131 /nfs/dbraw/zinc/34/91/31/558349131.db2.gz DYFYJGRFVCADFE-UHFFFAOYSA-N 0 0 423.494 4.780 50 0 HJAARN COC(=O)c1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(C)o4)=NN32)cc1 ZINC000012196903 558349961 /nfs/dbraw/zinc/34/99/61/558349961.db2.gz SLFWKXJAVLHQBD-XXBNENTESA-N 0 0 418.449 4.626 50 0 HJAARN COc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(C)o4)=NN32)cc1OC ZINC000012196895 558350062 /nfs/dbraw/zinc/35/00/62/558350062.db2.gz ONKAVSVXAXMCIG-KOSHJBKYSA-N 0 0 420.465 4.856 50 0 HJAARN COc1cccc(CN2CCN(C(=S)Nc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000020274236 558353354 /nfs/dbraw/zinc/35/33/54/558353354.db2.gz QOBVVMQBNQLZNJ-UHFFFAOYSA-N 0 0 410.370 4.517 50 0 HJAARN CCCCCCn1c2ccccc2n(C[C@H](O)COc2ccc(Cl)cc2)c1=N ZINC000020327638 558355854 /nfs/dbraw/zinc/35/58/54/558355854.db2.gz AJBOCJASLDCFMT-SFHVURJKSA-N 0 0 401.938 4.596 50 0 HJAARN O=C(Cc1c[nH]c2ccccc12)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020426427 558362101 /nfs/dbraw/zinc/36/21/01/558362101.db2.gz KYMOTTJXKAHOBT-UHFFFAOYSA-N 0 0 409.533 4.644 50 0 HJAARN CN(Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)Cc1nccn1C ZINC000012299699 558369555 /nfs/dbraw/zinc/36/95/55/558369555.db2.gz QSJWJYSQFKCJRH-UHFFFAOYSA-N 0 0 411.509 4.710 50 0 HJAARN CN(Cc1nccs1)C(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12 ZINC000012307063 558375758 /nfs/dbraw/zinc/37/57/58/558375758.db2.gz SJYXHWRXHSBJIA-UHFFFAOYSA-N 0 0 422.457 4.810 50 0 HJAARN O=S(=O)(Nc1ccccc1)c1ccc(NC(=S)Nc2cccc(Cl)c2)cc1 ZINC000020523404 558383949 /nfs/dbraw/zinc/38/39/49/558383949.db2.gz BCYNAEGDYJFJSR-UHFFFAOYSA-N 0 0 417.943 4.950 50 0 HJAARN CCn1cc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2cccc(OC)c2)c(C)n1 ZINC000020598786 558386340 /nfs/dbraw/zinc/38/63/40/558386340.db2.gz AFEPGCWUZSBSPH-VWLOTQADSA-N 0 0 400.526 4.849 50 0 HJAARN COCCCn1c2nc(-c3ccc(C)s3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020605586 558387768 /nfs/dbraw/zinc/38/77/68/558387768.db2.gz DSZYYSWIZONTAV-UHFFFAOYSA-N 0 0 415.462 4.546 50 0 HJAARN CCCCNC(=O)N1CCc2c3cc(OC)ccc3[nH]c2[C@@H]1c1ccc(OC)cc1 ZINC000020606185 558387957 /nfs/dbraw/zinc/38/79/57/558387957.db2.gz ZJJWDGPVTAFRPX-QHCPKHFHSA-N 0 0 407.514 4.642 50 0 HJAARN COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C1=O ZINC000012381065 558393289 /nfs/dbraw/zinc/39/32/89/558393289.db2.gz MVBPYJCLOUVLFX-RSYJBZMQSA-N 0 0 423.899 4.682 50 0 HJAARN C[C@H](C(=O)Nc1ccc(Cl)cc1)n1ccc(C(=O)Nc2ccc(Cl)cc2)n1 ZINC000020616999 558393485 /nfs/dbraw/zinc/39/34/85/558393485.db2.gz HJXZYXZFRWCLKV-GFCCVEGCSA-N 0 0 403.269 4.642 50 0 HJAARN C[C@H](C(=O)Nc1ccccc1Cl)n1ccc(C(=O)Nc2ccccc2Cl)n1 ZINC000020617011 558393538 /nfs/dbraw/zinc/39/35/38/558393538.db2.gz LWULKJGLYHMTPU-GFCCVEGCSA-N 0 0 403.269 4.642 50 0 HJAARN O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000020622028 558394013 /nfs/dbraw/zinc/39/40/13/558394013.db2.gz KDXKNDHXKWXFLX-JXMROGBWSA-N 0 0 423.516 4.966 50 0 HJAARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c1 ZINC000012406109 558398026 /nfs/dbraw/zinc/39/80/26/558398026.db2.gz NCZWEIRAKNCBTM-SFHVURJKSA-N 0 0 416.905 4.889 50 0 HJAARN O=C(Cc1cnc(-c2c(Cl)cccc2Cl)s1)NC1Cc2ccccc2C1 ZINC000012409408 558399903 /nfs/dbraw/zinc/39/99/03/558399903.db2.gz LUQCJDBIXNWCTD-UHFFFAOYSA-N 0 0 403.334 4.943 50 0 HJAARN Fc1ccc(-c2nn3c(nnc3-c3cccc(F)c3F)s2)cc1Br ZINC000020717069 558401591 /nfs/dbraw/zinc/40/15/91/558401591.db2.gz IYIKTCAJIHLOHH-UHFFFAOYSA-N 0 0 411.206 4.700 50 0 HJAARN O=C(Nc1nccs1)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 ZINC000020722939 558403650 /nfs/dbraw/zinc/40/36/50/558403650.db2.gz KFTDDMIUNOEZNX-FQEVSTJZSA-N 0 0 417.534 4.834 50 0 HJAARN O=C(NCc1ccccn1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 ZINC000020723498 558403921 /nfs/dbraw/zinc/40/39/21/558403921.db2.gz WPTRIKLIBNRPIC-HSZRJFAPSA-N 0 0 417.553 4.583 50 0 HJAARN O=S(=O)(Nc1cccc(/C=C/c2ccncc2)c1)c1ccc(Br)cc1 ZINC000012428826 558403990 /nfs/dbraw/zinc/40/39/90/558403990.db2.gz CVERHTUPFIGTTH-SNAWJCMRSA-N 0 0 415.312 4.815 50 0 HJAARN Oc1cccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2cccc3nccnc23)c1 ZINC000020785381 558413847 /nfs/dbraw/zinc/41/38/47/558413847.db2.gz HVHZMWPNICPLRG-AREMUKBSSA-N 0 0 406.489 4.964 50 0 HJAARN Cc1c(C)n(CCc2ccc(C)cc2)c(N)c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000012447703 558415198 /nfs/dbraw/zinc/41/51/98/558415198.db2.gz SHPGJACBJJQNNC-UHFFFAOYSA-N 0 0 402.947 4.724 50 0 HJAARN O=C(CN1CCN(C2c3ccccc3-c3ccccc32)CC1)c1c[nH]c2ccccc12 ZINC000020827799 558417117 /nfs/dbraw/zinc/41/71/17/558417117.db2.gz DJJQUFPCSWIUTL-UHFFFAOYSA-N 0 0 407.517 4.738 50 0 HJAARN COc1ccc(-c2nnc(SCc3ccc(I)cc3)o2)cc1 ZINC000020847258 558417272 /nfs/dbraw/zinc/41/72/72/558417272.db2.gz MCXAZLOLCFNUBD-UHFFFAOYSA-N 0 0 424.263 4.642 50 0 HJAARN COc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3C)CC2=O)cc1 ZINC000012463064 558419594 /nfs/dbraw/zinc/41/95/94/558419594.db2.gz XYVMFOBZCKPSDJ-FQEVSTJZSA-N 0 0 411.505 4.922 50 0 HJAARN OCCOc1cccc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2ccccc2F)c1 ZINC000020913893 558422425 /nfs/dbraw/zinc/42/24/25/558422425.db2.gz AONCQBZVGLQESZ-SANMLTNESA-N 0 0 416.496 4.826 50 0 HJAARN COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000012494068 558423644 /nfs/dbraw/zinc/42/36/44/558423644.db2.gz UZRRNRRCPZZPNY-AEVHJRAPSA-N 0 0 402.575 4.983 50 0 endogenous,in-man HJAARN Cc1ccc(-n2ncc3c2ncnc3SCC(=O)Nc2cc(C)cc(C)c2)c(C)c1 ZINC000004341743 558425395 /nfs/dbraw/zinc/42/53/95/558425395.db2.gz WADQKGCIHDUADW-UHFFFAOYSA-N 0 0 417.538 4.780 50 0 HJAARN CC(C)(C)c1ccc(O)c(NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)c1 ZINC000021006617 558429113 /nfs/dbraw/zinc/42/91/13/558429113.db2.gz LQXLMSFOGQCMCL-UHFFFAOYSA-N 0 0 413.495 4.509 50 0 HJAARN COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)c3c[nH]c4ccccc43)C2)c(C)c1 ZINC000012576861 558430877 /nfs/dbraw/zinc/43/08/77/558430877.db2.gz OSDODKDYOVAAGE-GOSISDBHSA-N 0 0 419.525 4.756 50 0 HJAARN O=C(Cc1coc(-c2ccccc2)n1)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000021142483 558432193 /nfs/dbraw/zinc/43/21/93/558432193.db2.gz VOIZDQKVFHJLHF-UHFFFAOYSA-N 0 0 403.463 4.837 50 0 HJAARN CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(CC)cc4)cc3n2)cc1 ZINC000021146965 558432417 /nfs/dbraw/zinc/43/24/17/558432417.db2.gz LHBRURMFUBJZCS-UHFFFAOYSA-N 0 0 400.482 4.942 50 0 HJAARN O=C(CCc1nc(CSc2nc3ccccc3s2)no1)Nc1ccc(F)cc1 ZINC000021157534 558432619 /nfs/dbraw/zinc/43/26/19/558432619.db2.gz IMBKKGFOTXDKMS-UHFFFAOYSA-N 0 0 414.487 4.682 50 0 HJAARN CCOc1ccc(-c2noc(CSc3nnc(-c4ccccc4)n3CC)n2)cc1 ZINC000021168945 558432875 /nfs/dbraw/zinc/43/28/75/558432875.db2.gz ZLEGGJSBZOYPNI-UHFFFAOYSA-N 0 0 407.499 4.706 50 0 HJAARN Cc1cc2oc(=O)cc(COC(=O)CSc3nc4ccccc4o3)c2cc1Cl ZINC000021182387 558433354 /nfs/dbraw/zinc/43/33/54/558433354.db2.gz RQXBVEQGFPMKOK-UHFFFAOYSA-N 0 0 415.854 4.732 50 0 HJAARN O=C(CCC(F)(F)F)N1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012587888 558434806 /nfs/dbraw/zinc/43/48/06/558434806.db2.gz UAFRXQYAKNQXNY-KRWDZBQOSA-N 0 0 418.459 4.665 50 0 HJAARN Cc1csc(SCC(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2ccccc2)n1 ZINC000012591303 558435926 /nfs/dbraw/zinc/43/59/26/558435926.db2.gz QAXOXHKSJGFIJX-KRWDZBQOSA-N 0 0 412.584 4.559 50 0 HJAARN O=C1c2ccccc2N[C@@H](c2cc(Br)ccc2OC(F)F)N1C1CC1 ZINC000021360816 558437483 /nfs/dbraw/zinc/43/74/83/558437483.db2.gz AJSKVSDLSRGRIV-MRXNPFEDSA-N 0 0 409.230 4.779 50 0 HJAARN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)[C@@H]2CC23CCCC3)CC1 ZINC000012612661 558438948 /nfs/dbraw/zinc/43/89/48/558438948.db2.gz UTMQKGVUKMQXMD-IBGZPJMESA-N 0 0 403.950 4.635 50 0 HJAARN COc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)c1 ZINC000012637262 558443013 /nfs/dbraw/zinc/44/30/13/558443013.db2.gz YIRHCVJUFIQXHC-GOSISDBHSA-N 0 0 415.468 4.753 50 0 HJAARN CCN(CC)C(=O)c1ccc(NC(=O)CSC2=Nc3ccccc3CS2)cc1 ZINC000021627604 558443690 /nfs/dbraw/zinc/44/36/90/558443690.db2.gz KKMHNZDISGZYQP-UHFFFAOYSA-N 0 0 413.568 4.775 50 0 HJAARN Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)OCc3cc(-c4ccco4)on3)c12 ZINC000010774726 558446054 /nfs/dbraw/zinc/44/60/54/558446054.db2.gz SWIRUZWYVXVZQS-UHFFFAOYSA-N 0 0 414.421 4.549 50 0 HJAARN CCC[C@@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(C)cc1)C(=O)OCC ZINC000004357971 558446407 /nfs/dbraw/zinc/44/64/07/558446407.db2.gz ADJPHSHDNPKZLY-HXUWFJFHSA-N 0 0 409.555 4.990 50 0 HJAARN Cn1c(SCc2c(F)cccc2Cl)nnc1-c1ccc2c(c1)OCCCO2 ZINC000021723278 558446916 /nfs/dbraw/zinc/44/69/16/558446916.db2.gz FAYMGKYJGSQFOF-UHFFFAOYSA-N 0 0 405.882 4.728 50 0 HJAARN O=C(c1ccc(=O)[nH]c1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1Cl ZINC000012701801 558448006 /nfs/dbraw/zinc/44/80/06/558448006.db2.gz BBRQSBOJMXZABK-QFIPXVFZSA-N 0 0 403.869 4.710 50 0 HJAARN CSc1ccc(C(=O)COC(=O)c2ccccc2CSC2=NCCS2)cc1 ZINC000021867197 558452903 /nfs/dbraw/zinc/45/29/03/558452903.db2.gz ICAZZCJTYKORAC-UHFFFAOYSA-N 0 0 417.577 4.784 50 0 HJAARN C[C@@H](NC(=O)NCCc1coc(-c2ccc(F)cc2)n1)c1ccc2c(c1)CCCC2 ZINC000072083969 558455732 /nfs/dbraw/zinc/45/57/32/558455732.db2.gz VBOSLRVPTDXXOI-MRXNPFEDSA-N 0 0 407.489 4.962 50 0 HJAARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2nc3ccccc3s2)c1 ZINC000012733147 558457366 /nfs/dbraw/zinc/45/73/66/558457366.db2.gz SNKNQYWMFDRSHC-KRWDZBQOSA-N 0 0 414.552 4.769 50 0 HJAARN COc1ccc([C@H]2CCCN2S(=O)(=O)c2cc(Cl)ccc2Cl)c(OC)c1 ZINC000012753304 558459552 /nfs/dbraw/zinc/45/95/52/558459552.db2.gz FLJRWEDHEURDOR-MRXNPFEDSA-N 0 0 416.326 4.536 50 0 HJAARN Cc1cnc(C(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)cn1 ZINC000012778090 558462684 /nfs/dbraw/zinc/46/26/84/558462684.db2.gz ROWZVEVVEPHFKZ-UHFFFAOYSA-N 0 0 404.470 4.895 50 0 HJAARN Cc1cc(OCC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c(C(C)C)cc1Cl ZINC000012785917 558463191 /nfs/dbraw/zinc/46/31/91/558463191.db2.gz WOVOJFMZVPPYFX-MRXNPFEDSA-N 0 0 412.921 4.609 50 0 HJAARN O=C(Nc1ncc(Cc2ccccc2Br)s1)c1n[nH]c2ccccc21 ZINC000012787464 558463375 /nfs/dbraw/zinc/46/33/75/558463375.db2.gz ZYLVBODJSXNPJI-UHFFFAOYSA-N 0 0 413.300 4.625 50 0 HJAARN O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc(F)cc1Br ZINC000022192250 558465942 /nfs/dbraw/zinc/46/59/42/558465942.db2.gz OYUFMQUIQCOBAC-UHFFFAOYSA-N 0 0 419.275 4.899 50 0 HJAARN COc1ccccc1C(=O)COC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000012805466 558473421 /nfs/dbraw/zinc/47/34/21/558473421.db2.gz HPLQYDQIHIZGRR-JKSUJKDBSA-N 0 0 407.491 4.781 50 0 HJAARN O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1ccc(F)cc1Br ZINC000012806595 558473837 /nfs/dbraw/zinc/47/38/37/558473837.db2.gz QUFQWWMQNHCPLE-UHFFFAOYSA-N 0 0 410.136 4.921 50 0 HJAARN Cc1cnc(C(=O)N(CCc2ccccc2)c2nc(-c3ccccc3)cs2)cn1 ZINC000012811196 558474788 /nfs/dbraw/zinc/47/47/88/558474788.db2.gz VAMKCKBAPFMILR-UHFFFAOYSA-N 0 0 400.507 4.798 50 0 HJAARN C[C@@H]1C[C@H](C)CN(Cc2csc(NC(=O)c3cccc(Br)c3)n2)C1 ZINC000022293789 558476763 /nfs/dbraw/zinc/47/67/63/558476763.db2.gz DQKQNFJFJHXCPR-BETUJISGSA-N 0 0 408.365 4.636 50 0 HJAARN CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3C=C(Cl)C4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C ZINC000003830539 558478436 /nfs/dbraw/zinc/47/84/36/558478436.db2.gz QMBJSIBWORFWQT-XJYXPMMHSA-N 0 0 404.934 4.752 50 0 HJAARN CCc1ccc(NC(=O)CSC2=N[C@@H](C(F)(F)F)C[C@@H](c3ccccc3)N2)cc1 ZINC000012848155 558479163 /nfs/dbraw/zinc/47/91/63/558479163.db2.gz PQUAZNYYMOYQGO-ZWKOTPCHSA-N 0 0 421.488 4.942 50 0 HJAARN c1csc(-c2csc3nc(CN4CCOCC4)nc(NCc4ccccc4)c23)c1 ZINC000022341327 558482312 /nfs/dbraw/zinc/48/23/12/558482312.db2.gz YGUCCXSERKPBLE-UHFFFAOYSA-N 0 0 422.579 4.864 50 0 HJAARN CCOc1cc(C(=O)N2CCC[C@@H]2c2ccc(OC)cc2)cc(OCC)c1OCC ZINC000012912885 558484623 /nfs/dbraw/zinc/48/46/23/558484623.db2.gz DIALCHHNMQWHJL-HXUWFJFHSA-N 0 0 413.514 4.869 50 0 HJAARN CSCc1nnc(SCC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)o1 ZINC000012944722 558487938 /nfs/dbraw/zinc/48/79/38/558487938.db2.gz LFQJCUGMQSGDHK-SFHVURJKSA-N 0 0 419.959 4.584 50 0 HJAARN O=C(Nc1cccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c1)c1ccco1 ZINC000022411574 558488064 /nfs/dbraw/zinc/48/80/64/558488064.db2.gz CAXTVELMZQYJDU-UHFFFAOYSA-N 0 0 411.266 4.640 50 0 HJAARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000012971963 558489175 /nfs/dbraw/zinc/48/91/75/558489175.db2.gz KRKXHNSEOKGBNF-UONOGXRCSA-N 0 0 419.312 4.561 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000012977708 558492276 /nfs/dbraw/zinc/49/22/76/558492276.db2.gz APYXEJPHKUQZRJ-LZGZYFLISA-N 0 0 400.950 4.794 50 0 HJAARN CCOC(=O)c1ccc(NC(=O)CN(C)[C@@H](c2ccccc2)c2ccc(F)cc2)cc1 ZINC000012983173 558494122 /nfs/dbraw/zinc/49/41/22/558494122.db2.gz HIZLLSAJLWWDHR-DEOSSOPVSA-N 0 0 420.484 4.662 50 0 HJAARN O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cccc(Cl)c1Cl ZINC000012983015 558494188 /nfs/dbraw/zinc/49/41/88/558494188.db2.gz ONDSLLYXHKSJBZ-UHFFFAOYSA-N 0 0 408.310 4.692 50 0 HJAARN CCCOc1ccc(-c2csc(NC(=O)c3ccc4c(c3)nnn4CC)n2)cc1 ZINC000012991772 558496750 /nfs/dbraw/zinc/49/67/50/558496750.db2.gz LIPHMGCUJWFZBS-UHFFFAOYSA-N 0 0 407.499 4.616 50 0 HJAARN Cc1ccc(-c2noc(Cn3cnc4scc(-c5ccccc5)c4c3=O)n2)cc1 ZINC000012992991 558497115 /nfs/dbraw/zinc/49/71/15/558497115.db2.gz ATGGTJANQWRDAZ-UHFFFAOYSA-N 0 0 400.463 4.532 50 0 HJAARN COc1ccc(OC)c([C@@H](C)NC(=O)c2cc3c(C)nn(CC(C)C)c3s2)c1 ZINC000012993472 558497443 /nfs/dbraw/zinc/49/74/43/558497443.db2.gz SYZNWIYOUODVKI-CYBMUJFWSA-N 0 0 401.532 4.570 50 0 HJAARN Cc1cccc(OCC(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)c1 ZINC000013003434 558501363 /nfs/dbraw/zinc/50/13/63/558501363.db2.gz XYCBRYMGLIGFEX-UHFFFAOYSA-N 0 0 410.905 4.651 50 0 HJAARN O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1ccccc1I ZINC000013004472 558501483 /nfs/dbraw/zinc/50/14/83/558501483.db2.gz IAKSMLKDECTBAA-INIZCTEOSA-N 0 0 411.670 4.826 50 0 HJAARN Cc1ccc(-c2nc(C(=O)OCC(=O)c3ccc(Br)s3)cs2)cc1 ZINC000013016705 558504016 /nfs/dbraw/zinc/50/40/16/558504016.db2.gz FFEYCJZALDGOKE-UHFFFAOYSA-N 0 0 422.325 4.982 50 0 HJAARN COc1cc2c(cc1NC(=O)c1cccc(CN3CCCC3=O)c1)oc1ccccc12 ZINC000013019773 558504420 /nfs/dbraw/zinc/50/44/20/558504420.db2.gz QLHMCSQDGIYFST-UHFFFAOYSA-N 0 0 414.461 4.969 50 0 HJAARN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000013021753 558504641 /nfs/dbraw/zinc/50/46/41/558504641.db2.gz MYCPIUJXDWXMFU-BJKOFHAPSA-N 0 0 414.505 4.518 50 0 HJAARN CCN(C[C@H]1COc2ccccc2O1)C(=O)CCCOc1ccc(C(C)(C)C)cc1 ZINC000013071237 558511427 /nfs/dbraw/zinc/51/14/27/558511427.db2.gz QSWAJVQYEQPIDI-NRFANRHFSA-N 0 0 411.542 4.832 50 0 HJAARN CC1CCN(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H]3CCCO3)c2=S)CC1 ZINC000013072663 558511832 /nfs/dbraw/zinc/51/18/32/558511832.db2.gz QSJPYOWCVYUQGU-GOSISDBHSA-N 0 0 406.983 4.603 50 0 HJAARN NC(=O)N[C@@H](CC(=O)NCc1cccc(Cl)c1)c1cccc(Oc2ccccc2)c1 ZINC000013098781 558514133 /nfs/dbraw/zinc/51/41/33/558514133.db2.gz CYMXHYOTUGFNCL-NRFANRHFSA-N 0 0 423.900 4.548 50 0 HJAARN O=C(c1ccc(Cl)cc1)N1CCCC[C@@H](Sc2ncnc3sccc32)C1=O ZINC000013114725 558515783 /nfs/dbraw/zinc/51/57/83/558515783.db2.gz AIHNAHGBUNNRHP-OAHLLOKOSA-N 0 0 417.943 4.658 50 0 HJAARN COc1ccc(-c2nc(COc3ccc(I)cc3)co2)cc1 ZINC000022842022 558516226 /nfs/dbraw/zinc/51/62/26/558516226.db2.gz HMWKOVALKKVDAE-UHFFFAOYSA-N 0 0 407.207 4.534 50 0 HJAARN C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000013121073 558517316 /nfs/dbraw/zinc/51/73/16/558517316.db2.gz SOOKATJEANFWFH-CQSZACIVSA-N 0 0 424.595 4.873 50 0 HJAARN O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2cccc(Cl)c2)N1Cc1ccco1 ZINC000013126946 558518654 /nfs/dbraw/zinc/51/86/54/558518654.db2.gz SUBFUFJBWSGAKT-OAQYLSRUSA-N 0 0 405.841 4.774 50 0 HJAARN Brc1cc2c(cc1CSc1nnc(C3CCCCC3)o1)OCCO2 ZINC000022892117 558518914 /nfs/dbraw/zinc/51/89/14/558518914.db2.gz PKZYLIDXBPWFAV-UHFFFAOYSA-N 0 0 411.321 4.943 50 0 HJAARN CCc1nnc2n1N[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)c1ccc(Cl)cc1)S2 ZINC000013137852 558521718 /nfs/dbraw/zinc/52/17/18/558521718.db2.gz MROHHNQPQZDDKZ-FUHWJXTLSA-N 0 0 419.337 4.789 50 0 HJAARN COc1cccc(NC(=O)[C@@H](Sc2nnc(-c3ccco3)n2C)c2ccccc2)c1 ZINC000013165376 558525143 /nfs/dbraw/zinc/52/51/43/558525143.db2.gz PTZHNCBZBJLKBG-IBGZPJMESA-N 0 0 420.494 4.556 50 0 HJAARN CC(C)Cc1nc2oc3c(ncnc3NCc3cccnc3)c2c2c1COC(C)(C)C2 ZINC000013206962 558525403 /nfs/dbraw/zinc/52/54/03/558525403.db2.gz BNGARKVHVPOMOK-UHFFFAOYSA-N 0 0 417.513 4.828 50 0 HJAARN Brc1ccc(CN2CCN(Cc3cccc(Br)c3)CC2)cc1 ZINC000022942015 558527727 /nfs/dbraw/zinc/52/77/27/558527727.db2.gz RUQNYJHERXYDRR-UHFFFAOYSA-N 0 0 424.180 4.529 50 0 HJAARN O=S(=O)(N[C@H](c1cccs1)c1ccc(F)cc1)c1ccccc1C(F)(F)F ZINC000023024613 558530715 /nfs/dbraw/zinc/53/07/15/558530715.db2.gz JUNHYEWXDQBDSN-KRWDZBQOSA-N 0 0 415.433 4.974 50 0 HJAARN COc1ccc(/C=C2\SC(=O)N(CNc3ccc(Br)cc3)C2=O)cc1 ZINC000013477005 558534230 /nfs/dbraw/zinc/53/42/30/558534230.db2.gz IJWFSHRVLFTAGS-YBEGLDIGSA-N 0 0 419.300 4.564 50 0 HJAARN O=c1cc(C(F)(F)F)nc(Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)[nH]1 ZINC000013519486 558536521 /nfs/dbraw/zinc/53/65/21/558536521.db2.gz CSHIUWOXRWAGSY-UHFFFAOYSA-N 0 0 417.778 4.796 50 0 HJAARN O=C(CCC(=O)N1CCc2[nH]c3ccc(Br)cc3c2C1)c1cccs1 ZINC000023134903 558537326 /nfs/dbraw/zinc/53/73/26/558537326.db2.gz YTZQEGGIYTUQGW-UHFFFAOYSA-N 0 0 417.328 4.540 50 0 HJAARN Cc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(-n4cnnn4)c3)o2)cc1 ZINC000023180538 558540583 /nfs/dbraw/zinc/54/05/83/558540583.db2.gz PMKTXPFRKCWAFN-UHFFFAOYSA-N 0 0 422.448 4.545 50 0 HJAARN COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cccc(Br)c1 ZINC000013568053 558541473 /nfs/dbraw/zinc/54/14/73/558541473.db2.gz UYHBDDYCMOMRFV-UHFFFAOYSA-N 0 0 424.254 4.913 50 0 HJAARN COc1ccc2[nH]cc(CCN3C(=O)c4[nH]nc(C)c4[C@H]3c3ccccc3Cl)c2c1 ZINC000013570387 558542021 /nfs/dbraw/zinc/54/20/21/558542021.db2.gz WNZSTDTWOKUYGW-JOCHJYFZSA-N 0 0 420.900 4.649 50 0 HJAARN Cc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3cc4cc(C)ccc4nc3Cl)C2)cc1 ZINC000004426783 558544254 /nfs/dbraw/zinc/54/42/54/558544254.db2.gz RTSFIIDWWNOMAE-HXUWFJFHSA-N 0 0 413.930 4.616 50 0 HJAARN CC[C@@H](Sc1nc(C)c(Cc2ccc(O)cc2)[nH]1)C(=O)N[C@H](C)c1ccccc1 ZINC000023279068 558547344 /nfs/dbraw/zinc/54/73/44/558547344.db2.gz XOIGCDYQKRQSOE-QVKFZJNVSA-N 0 0 409.555 4.763 50 0 HJAARN CCN(CC)c1ccc(-c2nnc(SCC(=O)c3ccc(C)s3)n2C)cc1 ZINC000023296994 558548330 /nfs/dbraw/zinc/54/83/30/558548330.db2.gz WFXVQJVGUXEDKT-UHFFFAOYSA-N 0 0 400.573 4.673 50 0 HJAARN Cc1ccc(-c2nc3ccccc3c(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 ZINC000023327738 558549297 /nfs/dbraw/zinc/54/92/97/558549297.db2.gz HIJJOQYNVBLSDH-UHFFFAOYSA-N 0 0 404.514 4.662 50 0 HJAARN O=C(Nc1ccc(Oc2cccc(F)c2)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000059814329 558551261 /nfs/dbraw/zinc/55/12/61/558551261.db2.gz NHYHFKFFLOGPEI-UHFFFAOYSA-N 0 0 421.396 4.867 50 0 HJAARN Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000013631113 558552256 /nfs/dbraw/zinc/55/22/56/558552256.db2.gz DGYOHOMRWDPLKN-IBGZPJMESA-N 0 0 402.494 4.972 50 0 HJAARN COc1cccc(NC(=O)[C@@H](OC(=O)[C@H]2Cc3ccccc3S2)c2ccccc2)c1 ZINC000010905147 558552598 /nfs/dbraw/zinc/55/25/98/558552598.db2.gz ZDPUXFWVWUIISC-YADHBBJMSA-N 0 0 419.502 4.635 50 0 HJAARN COCc1nn2c(ncc3c2C[C@@H](c2ccco2)CC3=O)c1-c1cccc(Cl)c1 ZINC000013638355 558555079 /nfs/dbraw/zinc/55/50/79/558555079.db2.gz UHHCYLXQHLHVJM-CQSZACIVSA-N 0 0 407.857 4.702 50 0 HJAARN Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c12 ZINC000013640695 558555258 /nfs/dbraw/zinc/55/52/58/558555258.db2.gz HKTJJRHHWYVJKK-UHFFFAOYSA-N 0 0 409.449 5.000 50 0 HJAARN Cc1cc(C(=O)N2CCSCC2)c2c(n1)onc2-c1ccc(Cl)c(Cl)c1 ZINC000013642055 558556023 /nfs/dbraw/zinc/55/60/23/558556023.db2.gz GMCOUXFQPTVLLN-UHFFFAOYSA-N 0 0 408.310 4.694 50 0 HJAARN COc1ccc([C@H]2CCCN2C(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1OC ZINC000023386372 558556264 /nfs/dbraw/zinc/55/62/64/558556264.db2.gz ILLJNBOBQPDOPO-OAQYLSRUSA-N 0 0 407.510 4.519 50 0 HJAARN COc1ccc(-c2nc(CNC(=O)c3c(C)noc3-c3cccs3)c(C)o2)cc1 ZINC000023450422 558558744 /nfs/dbraw/zinc/55/87/44/558558744.db2.gz LUJTXNMMBIFYOL-UHFFFAOYSA-N 0 0 409.467 4.614 50 0 HJAARN O=C(CSC(c1ccccc1)c1ccccc1)NCc1ccc2c(c1)OCCO2 ZINC000023481600 558559454 /nfs/dbraw/zinc/55/94/54/558559454.db2.gz BTXVQFWTOQBEJN-UHFFFAOYSA-N 0 0 405.519 4.597 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1nc(-c2ccccc2)oc1C ZINC000023650049 558564975 /nfs/dbraw/zinc/56/49/75/558564975.db2.gz HSUNREGMFIKLAC-UHFFFAOYSA-N 0 0 400.482 4.725 50 0 HJAARN Brc1cncc(-c2nnc3sc(-c4ccc5ccccc5c4)nn32)c1 ZINC000013684585 558568709 /nfs/dbraw/zinc/56/87/09/558568709.db2.gz FAUAIENUWCMIHO-UHFFFAOYSA-N 0 0 408.284 4.831 50 0 HJAARN COc1cc2c(c3oc(=O)c(CC(=O)Nc4ccccc4C)c(C)c13)CCC(C)(C)O2 ZINC000013689612 558571854 /nfs/dbraw/zinc/57/18/54/558571854.db2.gz WECFJKWMBMNCJZ-UHFFFAOYSA-N 0 0 421.493 4.703 50 0 HJAARN COc1ccccc1CCN1COc2ccc3c(=O)c(-c4ccccc4)coc3c2C1 ZINC000013693549 558574866 /nfs/dbraw/zinc/57/48/66/558574866.db2.gz XDXYEMDAGDPDHD-UHFFFAOYSA-N 0 0 413.473 4.863 50 0 biogenic HJAARN C[C@H](N[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1)c1nc2ccccc2c(=O)[nH]1 ZINC000023908317 558581133 /nfs/dbraw/zinc/58/11/33/558581133.db2.gz BKTBVAMVIJFEDD-BTYIYWSLSA-N 0 0 421.447 4.965 50 0 HJAARN O=c1[nH]c(CN2CCCC[C@H]2c2nc3ccccc3s2)nc2cc(Cl)ccc12 ZINC000023908568 558581479 /nfs/dbraw/zinc/58/14/79/558581479.db2.gz YMMNNCGYLMWISD-KRWDZBQOSA-N 0 0 410.930 4.913 50 0 HJAARN c1sc2nc(CN3CCOCC3)nc(NCc3ccccc3)c2c1-c1ccccc1 ZINC000023982951 558583343 /nfs/dbraw/zinc/58/33/43/558583343.db2.gz BMOPRBOSAXRYIX-UHFFFAOYSA-N 0 0 416.550 4.803 50 0 HJAARN CCc1cc2c(ncnc2Sc2nnc(N3CCC(C)CC3)n2C2CC2)s1 ZINC000024061145 558587131 /nfs/dbraw/zinc/58/71/31/558587131.db2.gz SIRPZFPAGUVUPG-UHFFFAOYSA-N 0 0 400.577 4.568 50 0 HJAARN CC(C)c1ccc(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 ZINC000024178595 558591357 /nfs/dbraw/zinc/59/13/57/558591357.db2.gz VSOSSXSXJWSPJQ-UHFFFAOYSA-N 0 0 405.567 4.892 50 0 HJAARN COc1ccccc1CN(Cc1cccs1)C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000024219136 558592592 /nfs/dbraw/zinc/59/25/92/558592592.db2.gz IQQUWXNCAWJKDB-NRFANRHFSA-N 0 0 413.926 4.943 50 0 HJAARN COc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)c(OC)c4)=NN32)c1 ZINC000013778007 558592924 /nfs/dbraw/zinc/59/29/24/558592924.db2.gz WMMGYLINIRACHC-PXDATVDWSA-N 0 0 416.477 4.955 50 0 HJAARN Cc1cccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2cccc(F)c2)c1 ZINC000004467755 558594058 /nfs/dbraw/zinc/59/40/58/558594058.db2.gz VUZPSPRRLVMOPQ-COOPMVRXSA-N 0 0 417.440 4.561 50 0 HJAARN CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)[C@H](C)C2)c(F)c1 ZINC000006369641 558594811 /nfs/dbraw/zinc/59/48/11/558594811.db2.gz PHGRROBIMUBXNG-GFCCVEGCSA-N 0 0 409.288 4.686 50 0 HJAARN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc(F)c3)[C@H]2C(=O)N1c1ccccc1Cl ZINC000013805693 558594970 /nfs/dbraw/zinc/59/49/70/558594970.db2.gz BGTBINSKIDETII-QHAWAJNXSA-N 0 0 422.843 4.530 50 0 HJAARN O=C(CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc21)NC1CCCCC1 ZINC000013857668 558598712 /nfs/dbraw/zinc/59/87/12/558598712.db2.gz INDVZGKEERWHFL-DEOSSOPVSA-N 0 0 401.510 4.552 50 0 HJAARN O=C(CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc21)Nc1ccc(F)cc1 ZINC000013955651 558607599 /nfs/dbraw/zinc/60/75/99/558607599.db2.gz DVIVITPXSBQELK-XMMPIXPASA-N 0 0 413.452 4.881 50 0 HJAARN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(c2cccc(Br)c2)=NO1 ZINC000013961053 558608949 /nfs/dbraw/zinc/60/89/49/558608949.db2.gz BIIIFYPSYYLVCT-OAHLLOKOSA-N 0 0 414.086 4.888 50 0 HJAARN O=C(Nc1ccccc1)c1ccccc1OC[C@@H](O)COCc1ccc(Cl)cc1 ZINC000024757685 558610690 /nfs/dbraw/zinc/61/06/90/558610690.db2.gz VYPKOYJQUMDKPH-FQEVSTJZSA-N 0 0 411.885 4.549 50 0 HJAARN O=C(CSc1ccc(Cl)cc1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000004496561 558610992 /nfs/dbraw/zinc/61/09/92/558610992.db2.gz CFIAXJSPTWOUJW-UHFFFAOYSA-N 0 0 404.900 4.923 50 0 HJAARN CC(C)c1ccc(-c2nc(C(=O)N(C)Cc3ccc4c(c3)OCCO4)cs2)cc1 ZINC000024765488 558611479 /nfs/dbraw/zinc/61/14/79/558611479.db2.gz XDNNVKBHYPUBNS-UHFFFAOYSA-N 0 0 408.523 4.977 50 0 HJAARN Cc1ccc(OCCSc2nnc([C@H](C)N(C)C)n2-c2ccc(F)cc2)cc1 ZINC000004500385 558612674 /nfs/dbraw/zinc/61/26/74/558612674.db2.gz RAOBZLLFXRHIKC-INIZCTEOSA-N 0 0 400.523 4.509 50 0 HJAARN CC[C@@H](C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)cc1Cl ZINC000014009476 558613047 /nfs/dbraw/zinc/61/30/47/558613047.db2.gz QDVFFWNWEDTCGB-NCUBORBFSA-N 0 0 402.853 4.749 50 0 HJAARN Cc1ccc(CC(=O)Nc2cccc(S(=O)(=O)Nc3cccc(Cl)c3)c2)cc1 ZINC000024830680 558614723 /nfs/dbraw/zinc/61/47/23/558614723.db2.gz FMEBRYJWNPEFNG-UHFFFAOYSA-N 0 0 414.914 4.630 50 0 HJAARN O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1Oc1ccccc1 ZINC000004496244 558614844 /nfs/dbraw/zinc/61/48/44/558614844.db2.gz UYFRNNXFATYFAZ-UHFFFAOYSA-N 0 0 415.898 4.935 50 0 HJAARN CCOc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN(c4ncccn4)C3)cc2)cc1 ZINC000024842662 558617232 /nfs/dbraw/zinc/61/72/32/558617232.db2.gz DLQFGKYQPFZWSJ-SFHVURJKSA-N 0 0 418.497 4.523 50 0 HJAARN COc1ccc(CN(Cc2cccs2)C(=O)c2ccc(F)cc2F)cc1OC ZINC000014093118 558619102 /nfs/dbraw/zinc/61/91/02/558619102.db2.gz BDALGLRSHXZSBH-UHFFFAOYSA-N 0 0 403.450 4.886 50 0 HJAARN C[C@H](c1ccco1)N(C(=O)CN1CCC(Cc2ccccc2)CC1)c1ccccn1 ZINC000014093932 558619328 /nfs/dbraw/zinc/61/93/28/558619328.db2.gz OSLPUQRNXSUNEZ-HXUWFJFHSA-N 0 0 403.526 4.724 50 0 HJAARN CCCCN1C[C@@H](c2nc3ccccc3n2CCOc2ccc(CC)cc2)CC1=O ZINC000014095543 558619935 /nfs/dbraw/zinc/61/99/35/558619935.db2.gz GBMNCXNHHGMIFJ-FQEVSTJZSA-N 0 0 405.542 4.794 50 0 HJAARN CCCCN1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2Cl)CC1=O ZINC000014095555 558619981 /nfs/dbraw/zinc/61/99/81/558619981.db2.gz KVRVWBGHGWYAKB-KRWDZBQOSA-N 0 0 411.933 4.885 50 0 HJAARN Cc1cc(C)cc(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000014166358 558626735 /nfs/dbraw/zinc/62/67/35/558626735.db2.gz CHRZOEJBRLZSPE-UHFFFAOYSA-N 0 0 424.522 4.500 50 0 HJAARN COc1ccc2c(CC(=O)Nc3nc(SCc4ccccc4)ns3)coc2c1 ZINC000014168124 558626988 /nfs/dbraw/zinc/62/69/88/558626988.db2.gz KQLXFJAVNLJSTA-UHFFFAOYSA-N 0 0 411.508 4.766 50 0 HJAARN O=C(CN(Cc1ccco1)C(=O)Cc1cccc(C(F)(F)F)c1)Nc1ccccc1 ZINC000014181540 558628280 /nfs/dbraw/zinc/62/82/80/558628280.db2.gz DDMOMCQBSSIRFS-UHFFFAOYSA-N 0 0 416.399 4.508 50 0 HJAARN O=C(c1ccc2c(c1)NC(=O)CCS2)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000014183870 558629376 /nfs/dbraw/zinc/62/93/76/558629376.db2.gz WAJBCBZSWXKHEV-HNNXBMFYSA-N 0 0 423.563 4.750 50 0 HJAARN Cc1ccc(-c2csc(Cc3nc(O)c(CC(=O)Nc4ccccc4)s3)n2)cc1 ZINC000025065439 558629867 /nfs/dbraw/zinc/62/98/67/558629867.db2.gz UMJQAITVKIBHLS-GOSISDBHSA-N 0 0 421.547 4.730 50 0 HJAARN CCN(Cc1cccc(F)c1)C(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000014185810 558630729 /nfs/dbraw/zinc/63/07/29/558630729.db2.gz LGJIDZUJIGQAJQ-UHFFFAOYSA-N 0 0 412.461 4.680 50 0 HJAARN COc1ccc(S(=O)(=O)NCCSCc2ccc(Cl)cc2Cl)cc1C ZINC000014186290 558631065 /nfs/dbraw/zinc/63/10/65/558631065.db2.gz XEBUVADMDJPFGD-UHFFFAOYSA-N 0 0 420.383 4.522 50 0 HJAARN CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000014186478 558631195 /nfs/dbraw/zinc/63/11/95/558631195.db2.gz DFZBOGNFPMVZCI-UHFFFAOYSA-N 0 0 420.362 4.815 50 0 HJAARN O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCC[C@@H]1Cc1ccccc1 ZINC000025173834 558633754 /nfs/dbraw/zinc/63/37/54/558633754.db2.gz SAUUZQJNCJNSLZ-HXUWFJFHSA-N 0 0 417.475 4.551 50 0 HJAARN CCCn1c(=O)c2ccccc2nc1SCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000014227009 558638814 /nfs/dbraw/zinc/63/88/14/558638814.db2.gz HGQJZBAZMBLXPA-UHFFFAOYSA-N 0 0 410.474 4.596 50 0 HJAARN CN(Cc1ccc(Br)cc1)Cn1nc(-c2ccccc2F)n(C)c1=S ZINC000014229580 558639445 /nfs/dbraw/zinc/63/94/45/558639445.db2.gz NBRXSWKPUYKYNI-UHFFFAOYSA-N 0 0 421.339 4.609 50 0 HJAARN S=C(NCc1cccs1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000025394022 558639966 /nfs/dbraw/zinc/63/99/66/558639966.db2.gz ZZWCBFIWQOTHCW-UHFFFAOYSA-N 0 0 407.608 4.530 50 0 HJAARN Fc1ccc(Nc2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)cc1Cl ZINC000025426122 558640827 /nfs/dbraw/zinc/64/08/27/558640827.db2.gz UXNWBLWHFLLHPG-UHFFFAOYSA-N 0 0 418.925 4.548 50 0 HJAARN O=C(CCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1cccs1 ZINC000025435751 558640904 /nfs/dbraw/zinc/64/09/04/558640904.db2.gz LFMSSTVEKIGANK-UHFFFAOYSA-N 0 0 418.562 4.645 50 0 HJAARN O=C1NCCCC[C@@H]1Sc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 ZINC000010990278 558642068 /nfs/dbraw/zinc/64/20/68/558642068.db2.gz VRDGKOMKSFMEOV-KRWDZBQOSA-N 0 0 412.540 4.835 50 0 HJAARN Cc1nc2ccccc2c(C)c1CC(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000025535729 558642970 /nfs/dbraw/zinc/64/29/70/558642970.db2.gz XXFMPSVAOHQHOA-UHFFFAOYSA-N 0 0 402.416 4.652 50 0 HJAARN Cc1cccc(N[C@@H](NC(=O)c2ccc(Br)cc2)C(=O)c2ccccc2)c1 ZINC000025558849 558643628 /nfs/dbraw/zinc/64/36/28/558643628.db2.gz HDWMZPRAFQGTGD-NRFANRHFSA-N 0 0 423.310 4.808 50 0 HJAARN Cc1ccc([C@](O)(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C(F)(F)F)o1 ZINC000014241789 558644268 /nfs/dbraw/zinc/64/42/68/558644268.db2.gz HASAMKIVRDSMMV-MGPLVRAMSA-N 0 0 410.219 4.912 50 0 HJAARN CCc1nc(Sc2ncnc3scc(-c4ccc(Br)cc4)c32)n[nH]1 ZINC000014248562 558648943 /nfs/dbraw/zinc/64/89/43/558648943.db2.gz ZGYOXBVZYJOUOC-UHFFFAOYSA-N 0 0 418.345 4.953 50 0 HJAARN Cc1sc2nc(CN3CCOCC3)nc(N[C@H]3CCCc4ccccc43)c2c1C ZINC000025784312 558650096 /nfs/dbraw/zinc/65/00/96/558650096.db2.gz DNHOPOXEEKTMJK-IBGZPJMESA-N 0 0 408.571 4.630 50 0 HJAARN Cn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@H]1COc2ccccc2O1 ZINC000014254556 558651184 /nfs/dbraw/zinc/65/11/84/558651184.db2.gz GSNIKEBHDQBRLF-MRXNPFEDSA-N 0 0 408.310 4.927 50 0 HJAARN O[C@H](COc1ccc(Cl)cc1Cl)Cn1c2ccccc2nc1-c1cscn1 ZINC000014287366 558651785 /nfs/dbraw/zinc/65/17/85/558651785.db2.gz QYAMAZYSUHCXAD-ZDUSSCGKSA-N 0 0 420.321 4.907 50 0 HJAARN COc1cc(CCNC(=O)C2(c3cccc(Cl)c3)CCC2)ccc1OC(F)F ZINC000026076658 558654714 /nfs/dbraw/zinc/65/47/14/558654714.db2.gz PSUDMAMVLSMQPE-UHFFFAOYSA-N 0 0 409.860 4.731 50 0 HJAARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000026399343 558660426 /nfs/dbraw/zinc/66/04/26/558660426.db2.gz BPSPDMODABHKED-ZDUSSCGKSA-N 0 0 411.716 4.677 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)/C(=C\c1ccco1)NC(=O)c1ccsc1 ZINC000004537826 558661246 /nfs/dbraw/zinc/66/12/46/558661246.db2.gz JLQJFOUXHPRSDP-MHWRWJLKSA-N 0 0 406.385 4.770 50 0 HJAARN Cc1ccc(NC(=O)[C@@H](C)Sc2nccc(C(F)(F)F)n2)c(Br)c1 ZINC000026482481 558661888 /nfs/dbraw/zinc/66/18/88/558661888.db2.gz ZSOWODVHNHKGTL-SECBINFHSA-N 0 0 420.254 4.686 50 0 HJAARN COc1ccc(CC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)cc1F ZINC000014637327 558662713 /nfs/dbraw/zinc/66/27/13/558662713.db2.gz YSOLABQOIZATBH-UHFFFAOYSA-N 0 0 417.868 4.517 50 0 HJAARN COc1ccc(-c2csc(NC(=O)CNc3ccc(Br)cc3)n2)cc1 ZINC000014672796 558663097 /nfs/dbraw/zinc/66/30/97/558663097.db2.gz LITPVLITYWZXLM-UHFFFAOYSA-N 0 0 418.316 4.632 50 0 HJAARN O=C(Nc1ccc(OC[C@@H](O)COc2cc(Cl)ccc2Cl)cc1)c1ccco1 ZINC000027213526 558670899 /nfs/dbraw/zinc/67/08/99/558670899.db2.gz LCWPCIADWOYODC-OAHLLOKOSA-N 0 0 422.264 4.657 50 0 HJAARN O=C(Nc1cccc(CNCc2cc(Cl)ccc2OCc2cccnc2)c1)C1CC1 ZINC000027217514 558671036 /nfs/dbraw/zinc/67/10/36/558671036.db2.gz ZUHLMIJJULHTRH-UHFFFAOYSA-N 0 0 421.928 4.952 50 0 HJAARN O=C(CCC(=O)c1cccs1)CCC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000027384256 558672882 /nfs/dbraw/zinc/67/28/82/558672882.db2.gz MWZHJKQGXIRQKT-INIZCTEOSA-N 0 0 424.522 4.608 50 0 HJAARN O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)N1CCc2sccc2C1 ZINC000014804079 558673435 /nfs/dbraw/zinc/67/34/35/558673435.db2.gz SQCKPKMCGLYATN-FQEVSTJZSA-N 0 0 424.953 4.848 50 0 HJAARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)OC(=O)/C=C/c1cccc2cccnc12 ZINC000014812741 558674093 /nfs/dbraw/zinc/67/40/93/558674093.db2.gz XLORHPHDWDLNDJ-FEAKQIBJSA-N 0 0 424.884 4.789 50 0 HJAARN COc1ccc(Oc2ccc(Cl)cc2NC(=O)[C@H]2COc3ccccc3O2)cc1 ZINC000014866809 558675027 /nfs/dbraw/zinc/67/50/27/558675027.db2.gz YTFAPANCYSAVCI-OAQYLSRUSA-N 0 0 411.841 4.919 50 0 HJAARN CSc1ccc(C(=O)NC[C@H]2Cc3cc(Cl)cc(-c4ccncc4)c3O2)cc1 ZINC000014885316 558677379 /nfs/dbraw/zinc/67/73/79/558677379.db2.gz NCVZPEQSQDGLCB-GOSISDBHSA-N 0 0 410.926 4.857 50 0 HJAARN CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)ns2)cc1 ZINC000027662368 558678133 /nfs/dbraw/zinc/67/81/33/558678133.db2.gz ATSSGFAKDACZTD-UHFFFAOYSA-N 0 0 413.499 4.654 50 0 HJAARN O=C([C@@H](Sc1n[nH]c(C=Cc2ccc(F)cc2)n1)c1ccccc1)N1CCCCC1 ZINC000014897971 558678145 /nfs/dbraw/zinc/67/81/45/558678145.db2.gz HFGUSCKOOFSGMP-KVDXNUTJSA-N 0 0 422.529 4.960 50 0 HJAARN COc1ccc(C(=O)Nc2nonc2-c2ccc(OCC(C)C)cc2)cc1Cl ZINC000027664367 558679412 /nfs/dbraw/zinc/67/94/12/558679412.db2.gz YGLPXKZRBFLXNQ-UHFFFAOYSA-N 0 0 401.850 4.686 50 0 HJAARN Cc1cccc(C)c1OCC(=O)NC[C@@H](c1ccccc1Cl)N1CCCCC1 ZINC000027664521 558679677 /nfs/dbraw/zinc/67/96/77/558679677.db2.gz DQYDSSHBHBBDLH-NRFANRHFSA-N 0 0 400.950 4.679 50 0 HJAARN CC(C)c1noc([C@H](C)Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)n1 ZINC000027776519 558682342 /nfs/dbraw/zinc/68/23/42/558682342.db2.gz AFKMTEIEWZMXAU-QWHCGFSZSA-N 0 0 405.549 4.545 50 0 HJAARN CCOC(=O)C1(Cc2ccccc2Cl)CCN(Cc2cccc(C(C)=O)c2)CC1 ZINC000014956870 558682695 /nfs/dbraw/zinc/68/26/95/558682695.db2.gz GABHUSAVULWMDV-UHFFFAOYSA-N 0 0 413.945 4.931 50 0 HJAARN O=C(Nc1ccccc1C(F)(F)F)c1cc(=O)c2cc(Br)ccc2o1 ZINC000027794589 558683089 /nfs/dbraw/zinc/68/30/89/558683089.db2.gz KXAHTUYBUVPJHT-UHFFFAOYSA-N 0 0 412.161 4.827 50 0 HJAARN CC(C)c1noc([C@@H](C)Sc2nnc(N3CCCC3)n2-c2ccccc2Cl)n1 ZINC000027813077 558683394 /nfs/dbraw/zinc/68/33/94/558683394.db2.gz WBIRJLAPYOCMMQ-CYBMUJFWSA-N 0 0 418.954 4.881 50 0 HJAARN O=C(Nc1ccc(Oc2ccccc2F)cc1)[C@@H]1CCCCN1C(=O)c1ccccn1 ZINC000014962594 558684622 /nfs/dbraw/zinc/68/46/22/558684622.db2.gz GHBHHBGNSWBHNV-NRFANRHFSA-N 0 0 419.456 4.646 50 0 HJAARN CSc1ncccc1C(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1C ZINC000014967587 558686377 /nfs/dbraw/zinc/68/63/77/558686377.db2.gz WLDWULCEHIHHCO-GOSISDBHSA-N 0 0 406.555 4.741 50 0 HJAARN Cc1c(C(=O)NCCC2=CCCCC2)sc2ncnc(NCc3ccccn3)c12 ZINC000014968751 558686513 /nfs/dbraw/zinc/68/65/13/558686513.db2.gz HBYYNXIZFCNMOZ-UHFFFAOYSA-N 0 0 407.543 4.627 50 0 HJAARN Cc1ccccc1-n1c(SCc2noc(C(C)(C)C)n2)nc2ccccc2c1=O ZINC000028008922 558689386 /nfs/dbraw/zinc/68/93/86/558689386.db2.gz JNWANXOFCIRUDG-UHFFFAOYSA-N 0 0 406.511 4.667 50 0 HJAARN O=C(COc1ccc(Cl)cc1)N(Cc1ccc(Br)o1)c1ccccn1 ZINC000028286859 558694271 /nfs/dbraw/zinc/69/42/71/558694271.db2.gz GRPOQSDNUAQFJC-UHFFFAOYSA-N 0 0 421.678 4.703 50 0 HJAARN CCCOc1ccc(-c2nsc(NC(=O)Cc3ccc(Cl)cc3)n2)cc1OC ZINC000028287436 558694679 /nfs/dbraw/zinc/69/46/79/558694679.db2.gz DJRMHAOKSCRFDH-UHFFFAOYSA-N 0 0 417.918 4.837 50 0 HJAARN COc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3cc(C)cc(C)c3)cs2)cc1 ZINC000028288507 558695369 /nfs/dbraw/zinc/69/53/69/558695369.db2.gz GWLCBVSDSMARNI-QGZVFWFLSA-N 0 0 410.539 4.562 50 0 HJAARN COc1cc(C(=O)N(Cc2ccccc2Cl)c2ccccn2)cc(OC)c1OC ZINC000028291129 558697346 /nfs/dbraw/zinc/69/73/46/558697346.db2.gz ACEKZWWPBFQZSW-UHFFFAOYSA-N 0 0 412.873 4.608 50 0 HJAARN COc1cc(C(=O)N(Cc2cccc(Cl)c2)c2ccccn2)cc(OC)c1OC ZINC000028292938 558698305 /nfs/dbraw/zinc/69/83/05/558698305.db2.gz CLOOWOFHRVJZEK-UHFFFAOYSA-N 0 0 412.873 4.608 50 0 HJAARN COc1ccccc1CCc1nc2ccccc2n1C1CCN(C(=O)C(C)C)CC1 ZINC000015005124 558698739 /nfs/dbraw/zinc/69/87/39/558698739.db2.gz UXQKUIGPEFPSOL-UHFFFAOYSA-N 0 0 405.542 4.650 50 0 HJAARN CCOc1c(C[C@@H]2c3cc(Br)ccc3N(CC)C2=O)cccc1OC ZINC000015018185 558702856 /nfs/dbraw/zinc/70/28/56/558702856.db2.gz UBUHGCNLNBHIMG-MRXNPFEDSA-N 0 0 404.304 4.549 50 0 HJAARN Cc1c(C(=O)NCc2cccc(C)n2)sc2ncnc(N[C@@H](C)c3cccs3)c12 ZINC000015068367 558710974 /nfs/dbraw/zinc/71/09/74/558710974.db2.gz MJXMJCAURUCSCL-AWEZNQCLSA-N 0 0 423.567 4.868 50 0 HJAARN C[C@@H](C(=O)Nc1ccccc1OC(F)F)N(C)Cc1ccccc1N1CCCCC1 ZINC000029155373 558711034 /nfs/dbraw/zinc/71/10/34/558711034.db2.gz KZLWSCOVSGZYME-KRWDZBQOSA-N 0 0 417.500 4.737 50 0 HJAARN CCn1cc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2nc3ccccc3n2C)c(C)n1 ZINC000015069815 558711920 /nfs/dbraw/zinc/71/19/20/558711920.db2.gz CGGRLWOFOVQALN-RUZDIDTESA-N 0 0 424.552 4.727 50 0 HJAARN CCOC(=O)C1(CC2CC2)CCN(C(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000015080678 558718634 /nfs/dbraw/zinc/71/86/34/558718634.db2.gz IWCHBEMALGFHQJ-UHFFFAOYSA-N 0 0 417.855 4.944 50 0 HJAARN C[C@@H](Sc1nc2sc3c(c2c(N)n1)CC[C@@H](C)C3)c1nc(-c2ccco2)no1 ZINC000029738775 558719681 /nfs/dbraw/zinc/71/96/81/558719681.db2.gz RNZJMOQIESFELM-NXEZZACHSA-N 0 0 413.528 4.895 50 0 HJAARN CC(C)(C)OC(=O)N1CCC(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)CC1 ZINC000029845325 558722569 /nfs/dbraw/zinc/72/25/69/558722569.db2.gz SSKSDFZSSYPQDX-QHCPKHFHSA-N 0 0 420.553 4.808 50 0 HJAARN Cc1ccc(CNC(=O)c2nnc(CN(C)Cc3ccc(C(C)(C)C)cc3)s2)cc1 ZINC000029939504 558724596 /nfs/dbraw/zinc/72/45/96/558724596.db2.gz KCNDUNQZDJDDTQ-UHFFFAOYSA-N 0 0 422.598 4.706 50 0 HJAARN Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1)C(C)C ZINC000030117234 558727255 /nfs/dbraw/zinc/72/72/55/558727255.db2.gz RJGZZCRQBHNQOL-DNVCBOLYSA-N 0 0 406.448 4.646 50 0 HJAARN CCCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc2ccccc2c1=O ZINC000015226145 558728769 /nfs/dbraw/zinc/72/87/69/558728769.db2.gz OVCKPCYONOKPQW-UHFFFAOYSA-N 0 0 421.444 4.556 50 0 HJAARN COc1ccccc1CN(Cc1cccs1)C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000030476520 558730584 /nfs/dbraw/zinc/73/05/84/558730584.db2.gz LLWIAFBFOAUMRF-LJQANCHMSA-N 0 0 424.497 4.551 50 0 HJAARN COc1ccc([C@@H]2CCCN2CC(=O)N(Cc2ccco2)Cc2ccccc2)cc1 ZINC000015300713 558731119 /nfs/dbraw/zinc/73/11/19/558731119.db2.gz JGJJYVOUVJCERA-DEOSSOPVSA-N 0 0 404.510 4.654 50 0 HJAARN CCOc1ccc2nc(NC(=O)CCC(=O)O[C@@H]3CC[C@@H](C)[C@@H](C)C3)sc2c1 ZINC000015318846 558732470 /nfs/dbraw/zinc/73/24/70/558732470.db2.gz HPDUZEAHPLHGLC-IJEWVQPXSA-N 0 0 404.532 4.782 50 0 HJAARN CCOc1ccc([C@@H](C)NC(=O)Cc2nc(-c3cccs3)oc2C)cc1OCC ZINC000032900175 558741976 /nfs/dbraw/zinc/74/19/76/558741976.db2.gz BWELWHUXWKJOLB-CQSZACIVSA-N 0 0 414.527 4.929 50 0 HJAARN Cc1ccc(-c2nc(CCNC(=O)c3ccccc3Br)cs2)cc1 ZINC000004570743 558743100 /nfs/dbraw/zinc/74/31/00/558743100.db2.gz DFIFPQXFDUVXBB-UHFFFAOYSA-N 0 0 401.329 4.854 50 0 HJAARN CC(C)(C)c1ccc([C@]2(C)NC(=O)N(Cc3ncc(-c4ccc(F)cc4)o3)C2=O)cc1 ZINC000015551668 558743610 /nfs/dbraw/zinc/74/36/10/558743610.db2.gz PFWVVRGLFHZROW-DEOSSOPVSA-N 0 0 421.472 4.745 50 0 HJAARN COc1ccc(CN(C(=O)c2cc(=O)c3cc(C)cc(C)c3o2)c2ccccn2)cc1 ZINC000015669882 558747971 /nfs/dbraw/zinc/74/79/71/558747971.db2.gz OZAZTYMOPCEMTH-UHFFFAOYSA-N 0 0 414.461 4.660 50 0 HJAARN COc1ccc(N(C(=O)c2ccccn2)C(C)(C)C(=O)Nc2c(C)cccc2C)cc1 ZINC000003100821 558749118 /nfs/dbraw/zinc/74/91/18/558749118.db2.gz VNMPSAVYYRNJKY-UHFFFAOYSA-N 0 0 417.509 4.771 50 0 HJAARN COc1ccc2c(c1)[C@H](N(Cc1nc(CC(C)C)no1)Cc1ccccc1)CCO2 ZINC000072296474 558749576 /nfs/dbraw/zinc/74/95/76/558749576.db2.gz BMXVZUNWKSGYNB-OAQYLSRUSA-N 0 0 407.514 4.803 50 0 HJAARN COCCCNC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2[C@H]1c1ccc(F)cc1 ZINC000015725174 558750515 /nfs/dbraw/zinc/75/05/15/558750515.db2.gz QTKBPMZZSRUXRP-OAQYLSRUSA-N 0 0 415.896 4.654 50 0 HJAARN O=C(NCCCCOc1ccc(Cl)cc1)c1cc(F)ccc1Br ZINC000011085181 558753953 /nfs/dbraw/zinc/75/39/53/558753953.db2.gz WYNKKGXKIRSXEQ-UHFFFAOYSA-N 0 0 400.675 4.831 50 0 HJAARN COc1ccc(-c2nc(CNC(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)cs2)cc1 ZINC000015832708 558755580 /nfs/dbraw/zinc/75/55/80/558755580.db2.gz NZWKUSZCGDUOBI-AWEZNQCLSA-N 0 0 416.930 4.864 50 0 HJAARN O=S(=O)(c1cccc2nsnc21)N1CCCCC[C@@H]1c1ccccc1Cl ZINC000015866762 558758835 /nfs/dbraw/zinc/75/88/35/558758835.db2.gz WCKLRMUJASWBSA-MRXNPFEDSA-N 0 0 407.948 4.651 50 0 HJAARN CCSc1nnc2c(n1)O[C@H](c1ccc(C)cc1)N(C(C)=O)c1ccc(F)cc1-2 ZINC000032997888 558758995 /nfs/dbraw/zinc/75/89/95/558758995.db2.gz CZMSWZXSIGLMRD-HXUWFJFHSA-N 0 0 410.474 4.542 50 0 HJAARN CCOc1ccccc1C(=O)Nc1ccc(OC)c(NC(=O)c2ccccc2C)c1 ZINC000032998369 558759373 /nfs/dbraw/zinc/75/93/73/558759373.db2.gz BLUVDIJINXHGQK-UHFFFAOYSA-N 0 0 404.466 4.907 50 0 HJAARN Cc1ccc(NC(=O)c2ccc(-n3nnnc3SCc3ccc(F)cc3)cc2)cc1 ZINC000015869225 558759931 /nfs/dbraw/zinc/75/99/31/558759931.db2.gz JQCSHDIWUDDZDF-UHFFFAOYSA-N 0 0 419.485 4.654 50 0 HJAARN Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2-n2cccc2)c1 ZINC000015882538 558760865 /nfs/dbraw/zinc/76/08/65/558760865.db2.gz UCNKXRZMCBQICF-UHFFFAOYSA-N 0 0 423.929 4.751 50 0 HJAARN CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2Oc2ccccc2)c1 ZINC000015963671 558764371 /nfs/dbraw/zinc/76/43/71/558764371.db2.gz QSBZMZJYYGPPCM-UHFFFAOYSA-N 0 0 401.871 4.788 50 0 HJAARN CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc2ccccc21 ZINC000016044150 558770145 /nfs/dbraw/zinc/77/01/45/558770145.db2.gz GKWTXLWXSNAZJY-UHFFFAOYSA-N 0 0 423.321 4.551 50 0 HJAARN O=C(Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc2c(c1)OCCO2 ZINC000015723458 558773698 /nfs/dbraw/zinc/77/36/98/558773698.db2.gz BIZMTQQQQQDIHV-UHFFFAOYSA-N 0 0 408.841 4.616 50 0 HJAARN CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1c(Cl)cccc1Cl ZINC000016192419 558777188 /nfs/dbraw/zinc/77/71/88/558777188.db2.gz DRNFPOANEUNMKE-SFHVURJKSA-N 0 0 420.296 4.659 50 0 HJAARN O=C(Nc1cccc(Br)c1)C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000016193614 558777547 /nfs/dbraw/zinc/77/75/47/558777547.db2.gz GFOFCXWHRJZSAE-UHFFFAOYSA-N 0 0 421.722 4.593 50 0 HJAARN CC[C@@H]1CCc2c(sc(NC(=O)/C=C/c3c(F)cccc3Cl)c2C(N)=O)C1 ZINC000016225769 558779524 /nfs/dbraw/zinc/77/95/24/558779524.db2.gz OKJIFCJWXGIRTI-ANYFNZRUSA-N 0 0 406.910 4.806 50 0 HJAARN CCCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1C)C(C)=O ZINC000004586602 558783827 /nfs/dbraw/zinc/78/38/27/558783827.db2.gz QMWKNRMTAWWHSQ-UHFFFAOYSA-N 0 0 412.578 4.764 50 0 HJAARN COc1cccc(NC2(c3nnnn3-c3ccccc3C)C3CC4CC(C3)CC2C4)c1 ZINC000035170762 558788753 /nfs/dbraw/zinc/78/87/53/558788753.db2.gz JUOZJGKHEJCISF-UHFFFAOYSA-N 0 0 415.541 4.743 50 0 HJAARN CCNc1nc(S[C@@H](C)C(=O)Nc2ccccc2OC(F)F)nc2ccccc21 ZINC000016397701 558789390 /nfs/dbraw/zinc/78/93/90/558789390.db2.gz YBJXVYXQAQXLJD-LBPRGKRZSA-N 0 0 418.469 4.782 50 0 HJAARN O=C(c1cnn2c1nc(C1CC1)cc2C(F)F)N1CCC[C@H]1c1cccc(F)c1 ZINC000035476363 558792407 /nfs/dbraw/zinc/79/24/07/558792407.db2.gz GKCOYYCXZSZFJI-KRWDZBQOSA-N 0 0 400.404 4.661 50 0 HJAARN COC(=O)c1c(CSc2nnnn2C(C)C)nc2ccccc2c1-c1ccccc1 ZINC000016453558 558792659 /nfs/dbraw/zinc/79/26/59/558792659.db2.gz YAZNXQBCPZIWIV-UHFFFAOYSA-N 0 0 419.510 4.548 50 0 HJAARN COC(=O)c1ccccc1Nc1c(-c2ccc(N(C)C)cc2)nc2ccc(C)cn21 ZINC000035616068 558794468 /nfs/dbraw/zinc/79/44/68/558794468.db2.gz KOHPKCNPCGWSIY-UHFFFAOYSA-N 0 0 400.482 4.906 50 0 HJAARN O=C(CCCc1nc(-c2ccccc2)no1)Nc1ccc(Br)cc1F ZINC000016493456 558794798 /nfs/dbraw/zinc/79/47/98/558794798.db2.gz WCRDKYLSWRPQTM-UHFFFAOYSA-N 0 0 404.239 4.600 50 0 HJAARN COc1cc(NC(=O)c2cc(-c3ccccn3)nc3ccccc32)cc(OC)c1OC ZINC000016643188 558797527 /nfs/dbraw/zinc/79/75/27/558797527.db2.gz RFLBTWICIQFQEG-UHFFFAOYSA-N 0 0 415.449 4.575 50 0 HJAARN COCCCN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)CC(C)C ZINC000036105593 558797722 /nfs/dbraw/zinc/79/77/22/558797722.db2.gz FCCYCEHCDDEHIE-UHFFFAOYSA-N 0 0 410.967 4.787 50 0 HJAARN COc1ccc(CN(c2ccc(C)c(F)c2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000036148766 558798075 /nfs/dbraw/zinc/79/80/75/558798075.db2.gz JHHWJLHHHQZBSB-UHFFFAOYSA-N 0 0 403.450 4.677 50 0 HJAARN COc1ccc(S(=O)(=O)N(c2cccc(C)c2)[C@@H](C)c2cccc(OC)c2)cc1 ZINC000036247812 558798656 /nfs/dbraw/zinc/79/86/56/558798656.db2.gz QGKUGXPXINCYIB-SFHVURJKSA-N 0 0 411.523 4.969 50 0 HJAARN CCOc1ccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CCCCC2)cc1 ZINC000036344147 558799158 /nfs/dbraw/zinc/79/91/58/558799158.db2.gz PYBDPORBKQZPMM-RUZDIDTESA-N 0 0 419.569 4.866 50 0 HJAARN O=C(Nc1ccccc1C(=O)NC1CC1)C(=O)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000036646392 558800819 /nfs/dbraw/zinc/80/08/19/558800819.db2.gz MMVRBNPBUPOACU-UHFFFAOYSA-N 0 0 423.472 4.549 50 0 HJAARN CCCCCCC(=O)N1CCN(c2cc(Oc3ccc(F)cc3C)ncn2)C[C@H]1C ZINC000037356499 558804302 /nfs/dbraw/zinc/80/43/02/558804302.db2.gz XQWLXQZUCKXHTJ-GOSISDBHSA-N 0 0 414.525 4.724 50 0 HJAARN CCOc1ccc2[nH]c(S[C@@H](C(=O)Nc3cc(C)on3)c3ccccc3)nc2c1 ZINC000016744704 558804280 /nfs/dbraw/zinc/80/42/80/558804280.db2.gz JWAXJFQGYLNFAV-LJQANCHMSA-N 0 0 408.483 4.730 50 0 HJAARN Cc1cc(NC(=O)[C@H](OC(=O)Cc2cccc3ccccc32)c2ccccc2)no1 ZINC000016743049 558804291 /nfs/dbraw/zinc/80/42/91/558804291.db2.gz LVYFVWXFLINCHQ-HSZRJFAPSA-N 0 0 400.434 4.602 50 0 HJAARN Cc1cccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2cccc(Cl)c2)O3)c1 ZINC000032983959 558804965 /nfs/dbraw/zinc/80/49/65/558804965.db2.gz KOYRRYJKJZWYOO-WSDLNYQXSA-N 0 0 418.880 4.950 50 0 HJAARN O=C(NCc1ccccc1F)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1Cl)O2 ZINC000032983897 558804979 /nfs/dbraw/zinc/80/49/79/558804979.db2.gz RHRLVAJOBDOWRZ-MTJSOVHGSA-N 0 0 422.843 4.781 50 0 HJAARN Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2cccc(Cl)c2)O3)o1 ZINC000032983983 558805011 /nfs/dbraw/zinc/80/50/11/558805011.db2.gz IBFSCVBDEBMJAR-JMIUGGIZSA-N 0 0 408.841 4.543 50 0 HJAARN Cc1ccc2nc(-c3ccccc3)cc(OCC(=O)Nc3ccc4c(c3)OCO4)c2c1 ZINC000032985826 558806120 /nfs/dbraw/zinc/80/61/20/558806120.db2.gz AIUWREVLGCEIHF-UHFFFAOYSA-N 0 0 412.445 4.956 50 0 HJAARN Cc1ccc(-c2cc(OCC(=O)Nc3ccc4c(c3)OCO4)c3ccccc3n2)cc1 ZINC000032985910 558806284 /nfs/dbraw/zinc/80/62/84/558806284.db2.gz IUONYYWHTMBXHZ-UHFFFAOYSA-N 0 0 412.445 4.956 50 0 HJAARN CCc1ccc(-c2cc3c(SCC(=O)Nc4cc(F)ccc4F)nccn3n2)cc1 ZINC000016841674 558808316 /nfs/dbraw/zinc/80/83/16/558808316.db2.gz HUOSBXBUXDFNQC-UHFFFAOYSA-N 0 0 424.476 4.968 50 0 HJAARN Cc1ccnn1CCCNC(=O)c1cc(-c2ccccn2)nc2c(C)c(Cl)ccc12 ZINC000037867349 558809497 /nfs/dbraw/zinc/80/94/97/558809497.db2.gz SJPGVQVTMMUKNM-UHFFFAOYSA-N 0 0 419.916 4.584 50 0 HJAARN COc1ccc(NC(=O)CSc2nccn3nc(-c4ccccc4)cc23)cc1Cl ZINC000016955208 558810004 /nfs/dbraw/zinc/81/00/04/558810004.db2.gz IZHWDRGCXZVZBT-UHFFFAOYSA-N 0 0 424.913 4.789 50 0 HJAARN O=C(CCc1nc(-c2ccsc2)no1)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000016963915 558810706 /nfs/dbraw/zinc/81/07/06/558810706.db2.gz DANALHXBTHKJEL-OAQYLSRUSA-N 0 0 421.547 4.967 50 0 HJAARN CCc1cc(-c2nnc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2CC)cs1 ZINC000017090063 558818727 /nfs/dbraw/zinc/81/87/27/558818727.db2.gz IWSKEULQRGWULZ-UHFFFAOYSA-N 0 0 414.556 4.522 50 0 HJAARN CCc1ccccc1NC(=S)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 ZINC000017091214 558819831 /nfs/dbraw/zinc/81/98/31/558819831.db2.gz VGRXSADTZITFDQ-INIZCTEOSA-N 0 0 417.600 4.621 50 0 HJAARN CCc1cccc2c(/C=C3\NC(=S)N(C)C3=O)cn(Cc3ccc(Cl)cc3)c21 ZINC000017299953 558826581 /nfs/dbraw/zinc/82/65/81/558826581.db2.gz FTCCMQPQCBRBKF-ODLFYWEKSA-N 0 0 409.942 4.593 50 0 HJAARN O=C(COc1cccc(C(F)(F)F)c1)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC000033000692 558826658 /nfs/dbraw/zinc/82/66/58/558826658.db2.gz NYQPELODZVHKEU-UHFFFAOYSA-N 0 0 400.352 4.921 50 0 HJAARN CC(C)C(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3F)sc2c1 ZINC000033000528 558826767 /nfs/dbraw/zinc/82/67/67/558826767.db2.gz YFYMPAARPDTWOR-UHFFFAOYSA-N 0 0 403.504 4.761 50 0 HJAARN CC(=O)Nc1nc2ccc(NC(=O)Nc3ccc(Br)cc3F)cc2s1 ZINC000033008134 558828851 /nfs/dbraw/zinc/82/88/51/558828851.db2.gz ZTMZBSLIWGROFR-UHFFFAOYSA-N 0 0 423.267 4.800 50 0 HJAARN COc1ccccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1 ZINC000018094222 558831126 /nfs/dbraw/zinc/83/11/26/558831126.db2.gz COFAIRBCEKVNAX-UHFFFAOYSA-N 0 0 409.298 4.518 50 0 HJAARN CCOc1cc(C2N=NC(=S)N2c2ccc(F)cc2)cc(OCC)c1OCC ZINC000018122845 558831630 /nfs/dbraw/zinc/83/16/30/558831630.db2.gz ODRFUUMPIXKJOD-UHFFFAOYSA-N 0 0 403.479 4.558 50 0 HJAARN COc1ccc(-c2noc(COc3ccccc3C(=O)Nc3cccc(C)c3)n2)cc1 ZINC000033012976 558832666 /nfs/dbraw/zinc/83/26/66/558832666.db2.gz LUWTYOKSOVTOAW-UHFFFAOYSA-N 0 0 415.449 4.885 50 0 HJAARN COc1cc(-c2noc(-c3ccccc3C)n2)ccc1OCC(=O)Nc1ccccc1 ZINC000033013103 558832747 /nfs/dbraw/zinc/83/27/47/558832747.db2.gz ZSRYVNXHNJJQCL-UHFFFAOYSA-N 0 0 415.449 4.738 50 0 HJAARN COc1ccccc1NC(=O)c1ccccc1OCc1nc(-c2ccc(C)cc2)no1 ZINC000033012885 558832847 /nfs/dbraw/zinc/83/28/47/558832847.db2.gz ATDNABXOUDJHLD-UHFFFAOYSA-N 0 0 415.449 4.885 50 0 HJAARN O=C(CSc1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1)NCc1ccco1 ZINC000018254483 558834827 /nfs/dbraw/zinc/83/48/27/558834827.db2.gz GNGXYXJWSUBZOW-UHFFFAOYSA-N 0 0 424.909 4.850 50 0 HJAARN O=C(CNc1cccc(Br)c1)N[C@@H](c1cccs1)c1ccccc1 ZINC000011113528 558835732 /nfs/dbraw/zinc/83/57/32/558835732.db2.gz SHFFMMMVMXZDSQ-LJQANCHMSA-N 0 0 401.329 4.828 50 0 HJAARN O=C(c1nn2c(c1Cl)N[C@@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F)N1CCCC1 ZINC000000867012 558835840 /nfs/dbraw/zinc/83/58/40/558835840.db2.gz IXSORWZQEOSZMV-CHWSQXEVSA-N 0 0 416.806 4.572 50 0 HJAARN Cn1cccc1[C@@H]1C2C(=O)CC(C)(C)CC2=Nc2ccccc2N1C(=O)C(F)(F)F ZINC000000997694 558835947 /nfs/dbraw/zinc/83/59/47/558835947.db2.gz VXHDSROAGRQIGL-LJQANCHMSA-N 0 0 417.431 4.730 50 0 HJAARN C=CCc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(OC)c1O ZINC000001150047 558836262 /nfs/dbraw/zinc/83/62/62/558836262.db2.gz IOMJWGUPWLBSOR-YVLHZVERSA-N 0 0 401.484 4.674 50 0 HJAARN CCOc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)NCCC(C)C ZINC000046005855 558838725 /nfs/dbraw/zinc/83/87/25/558838725.db2.gz IVXMEVILEJRMQX-UHFFFAOYSA-N 0 0 422.573 4.839 50 0 HJAARN COc1nc2c(c(C)nn2-c2ccc(C)cc2)c(C)c1CCC(=O)NC1CCCCC1 ZINC000046006380 558838738 /nfs/dbraw/zinc/83/87/38/558838738.db2.gz BYCJRPQWWOCELS-UHFFFAOYSA-N 0 0 420.557 4.736 50 0 HJAARN CCOc1nc2c(c(C)nn2-c2cccc(F)c2)c(C)c1CCC(=O)NC1CCCC1 ZINC000046006235 558838746 /nfs/dbraw/zinc/83/87/46/558838746.db2.gz GBEGNXVFBHGVLN-UHFFFAOYSA-N 0 0 424.520 4.567 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)Cc1c(C)nc2nc(C3CCCCC3)nn2c1C ZINC000046024002 558839357 /nfs/dbraw/zinc/83/93/57/558839357.db2.gz XNJXXUOFUYCQQG-UHFFFAOYSA-N 0 0 411.937 4.932 50 0 HJAARN Cc1ccc(C)c(NC(=O)c2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)c1 ZINC000013583478 558845264 /nfs/dbraw/zinc/84/52/64/558845264.db2.gz GNCUNCFBSGVUCE-UHFFFAOYSA-N 0 0 420.534 4.697 50 0 HJAARN Cc1cccc(C(=O)Nc2ccccc2SCc2cc(=O)n3cccc(C)c3n2)c1 ZINC000033026043 558847069 /nfs/dbraw/zinc/84/70/69/558847069.db2.gz AMRNFAOFNFHTPP-UHFFFAOYSA-N 0 0 415.518 4.856 50 0 HJAARN COc1cc(CCC(=O)Nc2ccc3oc(C(=O)c4ccccc4)c(C)c3c2)on1 ZINC000013721855 558858986 /nfs/dbraw/zinc/85/89/86/558858986.db2.gz SQQHNZHMXGWDQN-UHFFFAOYSA-N 0 0 404.422 4.540 50 0 HJAARN CCCNC(=O)c1cccc([C@H]2CCCN(C(=O)Nc3ccc(OCC)cc3)C2)c1 ZINC000033035124 558859235 /nfs/dbraw/zinc/85/92/35/558859235.db2.gz OYPHAFUMKOFLKL-FQEVSTJZSA-N 0 0 409.530 4.637 50 0 HJAARN CC(C)NC(=O)N1CCC[C@@H](c2cccc(C(=O)Nc3ccc(F)c(F)c3)c2)C1 ZINC000033035927 558860046 /nfs/dbraw/zinc/86/00/46/558860046.db2.gz WPQIOLXYOPMJBY-QGZVFWFLSA-N 0 0 401.457 4.515 50 0 HJAARN CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(C(=O)N2CCCCCC2)cc1 ZINC000033037037 558861167 /nfs/dbraw/zinc/86/11/67/558861167.db2.gz XGDWRQXPHZQKPN-UHFFFAOYSA-N 0 0 416.525 4.822 50 0 HJAARN Cc1c(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)cnn1-c1ccccc1 ZINC000023012640 558862755 /nfs/dbraw/zinc/86/27/55/558862755.db2.gz DLAWMWKLZYTMJO-UHFFFAOYSA-N 0 0 415.522 4.991 50 0 HJAARN CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1 ZINC000053239527 558862990 /nfs/dbraw/zinc/86/29/90/558862990.db2.gz PKCDDUHJAFVJJB-UHFFFAOYSA-N 0 0 421.504 4.822 50 0 in-vitro HJAARN O=C(NCc1cccc(C(F)(F)F)c1)c1c[nH]nc1-c1cccc(Br)c1 ZINC000072329066 558864718 /nfs/dbraw/zinc/86/47/18/558864718.db2.gz CXKDDTBCJFQUAP-UHFFFAOYSA-N 0 0 424.220 4.788 50 0 HJAARN C[C@@H]1S[C@@]2(C(=O)Nc3ccccc32)N(c2ccc3c(c2)oc2ccccc23)C1=O ZINC000004619989 558865991 /nfs/dbraw/zinc/86/59/91/558865991.db2.gz PQDQYYSWUFOQND-NPMABZOXSA-N 0 0 400.459 4.859 50 0 HJAARN Cc1c([C@@H](C)NCc2nc(-c3ccc(Cl)cc3)no2)cnn1-c1cccc(F)c1 ZINC000019300246 558866239 /nfs/dbraw/zinc/86/62/39/558866239.db2.gz PTMSEPUPZPBOLJ-CYBMUJFWSA-N 0 0 411.868 4.874 50 0 HJAARN O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cccc(N2CCCC2=O)c1 ZINC000019311742 558866681 /nfs/dbraw/zinc/86/66/81/558866681.db2.gz PCOZECLBPSETDG-UHFFFAOYSA-N 0 0 411.914 4.772 50 0 HJAARN CCOc1ccc(NC(=O)CCCc2nc3cccnc3n2Cc2ccccc2)cc1 ZINC000033072534 558867035 /nfs/dbraw/zinc/86/70/35/558867035.db2.gz ZRJVEZMXSCBKGJ-UHFFFAOYSA-N 0 0 414.509 4.840 50 0 HJAARN CCCCOc1ccc(-c2cc(C(=O)N3CCN(c4ccc(C)cc4)CC3)[nH]n2)cc1 ZINC000072331258 558867561 /nfs/dbraw/zinc/86/75/61/558867561.db2.gz WXMWEAYSQLNLJY-UHFFFAOYSA-N 0 0 418.541 4.526 50 0 HJAARN CCCCOc1ccccc1-c1cc(C(=O)NCc2ccc(OCCC)cc2)[nH]n1 ZINC000072331588 558868250 /nfs/dbraw/zinc/86/82/50/558868250.db2.gz OEUZNUUVXRXSLD-UHFFFAOYSA-N 0 0 407.514 4.974 50 0 HJAARN CCCOc1ccccc1[C@H]1CC(=O)Nc2c1cnn2-c1nc2ccccc2s1 ZINC000033088071 558869866 /nfs/dbraw/zinc/86/98/66/558869866.db2.gz NUOXMCFIIYALIH-OAHLLOKOSA-N 0 0 404.495 4.745 50 0 HJAARN CC(C)COc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2nc3ccccc3s2)cc1 ZINC000033088073 558869882 /nfs/dbraw/zinc/86/98/82/558869882.db2.gz NLZUFVKNKXGFRE-QGZVFWFLSA-N 0 0 418.522 4.991 50 0 HJAARN Cc1cc(C)cc(NC(=O)c2nc3ccccc3n(Cc3cccc(Cl)c3)c2=O)c1 ZINC000033085930 558870601 /nfs/dbraw/zinc/87/06/01/558870601.db2.gz IQIUMDDXRDWTGM-UHFFFAOYSA-N 0 0 417.896 4.967 50 0 HJAARN Cc1sc(NC(=O)Cc2cn3ccsc3n2)nc1-c1ccc(OC(F)F)cc1 ZINC000010652599 558871376 /nfs/dbraw/zinc/87/13/76/558871376.db2.gz FKADXFUCFWCSQU-UHFFFAOYSA-N 0 0 420.466 4.610 50 0 HJAARN Cc1cc(F)ccc1NC(=O)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000033088604 558871586 /nfs/dbraw/zinc/87/15/86/558871586.db2.gz UCKWNZOEWHMSRW-UHFFFAOYSA-N 0 0 421.379 4.571 50 0 HJAARN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN1C(=O)c1ccc2ccccc2n1 ZINC000033094082 558872381 /nfs/dbraw/zinc/87/23/81/558872381.db2.gz VRTQTEPDAFVPGZ-IBGZPJMESA-N 0 0 414.292 4.785 50 0 HJAARN FC(F)(F)c1ccc(NC(=S)N2CCn3cccc3[C@@H]2c2ccncc2)cc1 ZINC000004659426 558872586 /nfs/dbraw/zinc/87/25/86/558872586.db2.gz ZLTDZGPCHMBGSO-SFHVURJKSA-N 0 0 402.445 4.704 50 0 HJAARN FC(F)(F)c1ccc(NC(=S)N2CCn3cccc3[C@H]2c2cccnc2)cc1 ZINC000004659437 558872845 /nfs/dbraw/zinc/87/28/45/558872845.db2.gz XMWCGERCARBTFD-GOSISDBHSA-N 0 0 402.445 4.704 50 0 HJAARN Cc1ccccc1NC(=O)c1nnc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)s1 ZINC000033113215 558875280 /nfs/dbraw/zinc/87/52/80/558875280.db2.gz MALYUSLUWRMKSO-MRXNPFEDSA-N 0 0 421.526 4.510 50 0 HJAARN O=S(=O)(Cc1ccc(Cl)cc1)c1nc2ccccc2nc1NC1CCCC1 ZINC000033114437 558876296 /nfs/dbraw/zinc/87/62/96/558876296.db2.gz SROIEUJDDMVMRB-UHFFFAOYSA-N 0 0 401.919 4.612 50 0 HJAARN COc1ccc(C)cc1NC(=O)CSc1nc(N2CCCCC2)nc2ccccc21 ZINC000033114732 558876759 /nfs/dbraw/zinc/87/67/59/558876759.db2.gz LGKAVWLMEPCZDP-UHFFFAOYSA-N 0 0 422.554 4.668 50 0 HJAARN CSc1cccc(NC(=S)N(C2CCCCC2)C2CCN(C(C)=O)CC2)c1 ZINC000004667974 558877859 /nfs/dbraw/zinc/87/78/59/558877859.db2.gz HJPNXQGAWZJYRW-UHFFFAOYSA-N 0 0 405.633 4.751 50 0 HJAARN COc1ccc(/C=C2/Sc3ccc(C(=O)N4C[C@H](C)C[C@H](C)C4)cc3NC2=O)cc1 ZINC000004668438 558878458 /nfs/dbraw/zinc/87/84/58/558878458.db2.gz FXAMMHZMSJMSMT-RULQDBOMSA-N 0 0 422.550 4.899 50 0 HJAARN CSc1nnc(CN(C)Cc2ccc(-c3ccccc3C)cc2)n1C[C@@H]1CCCO1 ZINC000055309008 558878901 /nfs/dbraw/zinc/87/89/01/558878901.db2.gz JHQZRLKBTGJZKD-NRFANRHFSA-N 0 0 422.598 4.786 50 0 HJAARN CCCOc1c2cc(NC(=O)Cc3cccc(F)c3)ccc2sc1C(=O)OC ZINC000033123485 558879868 /nfs/dbraw/zinc/87/98/68/558879868.db2.gz ZBVOJHMBFIUENU-UHFFFAOYSA-N 0 0 401.459 4.797 50 0 HJAARN Cc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCc3ccccc32)cc1C ZINC000033127945 558881402 /nfs/dbraw/zinc/88/14/02/558881402.db2.gz ZFUGTYSSXFDWKV-QHCPKHFHSA-N 0 0 413.521 4.626 50 0 HJAARN Cc1ccc(-n2nc(S[C@@H](C)C(=O)Nc3cccc(Cl)c3)ccc2=O)cc1C ZINC000033128061 558881550 /nfs/dbraw/zinc/88/15/50/558881550.db2.gz ASRZARAGHHKONI-HNNXBMFYSA-N 0 0 413.930 4.622 50 0 HJAARN Clc1ccc(CN2CCN(c3ncnc4sc5c(c43)CCC5)CC2)c(Cl)c1 ZINC000055512622 558881841 /nfs/dbraw/zinc/88/18/41/558881841.db2.gz XNAHJPJAEKCSGK-UHFFFAOYSA-N 0 0 419.381 4.809 50 0 HJAARN Cc1ccc(-n2nc(S[C@H](C)C(=O)Nc3ccc(Cl)cc3C)ccc2=O)cc1 ZINC000033128276 558881931 /nfs/dbraw/zinc/88/19/31/558881931.db2.gz YEBFTYFOAZSWDE-OAHLLOKOSA-N 0 0 413.930 4.622 50 0 HJAARN CCOc1ccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)cc1 ZINC000033128731 558882605 /nfs/dbraw/zinc/88/26/05/558882605.db2.gz AGYZFHFXEKUVFH-UHFFFAOYSA-N 0 0 401.466 4.932 50 0 HJAARN COc1ccc(OC)c(S(=O)(=O)Oc2cc3sc(C)nc3c3sccc32)c1 ZINC000033047605 558883542 /nfs/dbraw/zinc/88/35/42/558883542.db2.gz XIECQTZKKGVSOF-UHFFFAOYSA-N 0 0 421.521 4.604 50 0 HJAARN O=C(NCCC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)NC1CCCCC1 ZINC000033125819 558883568 /nfs/dbraw/zinc/88/35/68/558883568.db2.gz VXMYDZWCZPZULL-UHFFFAOYSA-N 0 0 406.958 4.606 50 0 HJAARN Cc1ccc(C(=O)C[C@]2(O)c3ccccc3N(Cc3ccccc3Cl)C2=O)c(C)c1 ZINC000004672244 558886197 /nfs/dbraw/zinc/88/61/97/558886197.db2.gz CDXRNRLTWWNMFS-VWLOTQADSA-N 0 0 419.908 4.964 50 0 HJAARN O=C(c1ccc(NS(=O)(=O)c2ccc(-c3cccc(F)c3)cc2)cc1)N1CCCC1 ZINC000033130306 558886599 /nfs/dbraw/zinc/88/65/99/558886599.db2.gz OXTAFPCJOLKCGD-UHFFFAOYSA-N 0 0 424.497 4.530 50 0 HJAARN CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O ZINC000118926030 558887996 /nfs/dbraw/zinc/88/79/96/558887996.db2.gz SMCQXKQWSCYFRG-DWKSCWABSA-N 0 0 416.558 4.628 50 0 HJAARN COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(NC3CCCC3)n2)cc1 ZINC000004675836 558888362 /nfs/dbraw/zinc/88/83/62/558888362.db2.gz DGSDCVCRJYVUPN-UHFFFAOYSA-N 0 0 406.490 4.731 50 0 HJAARN Cc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)s1 ZINC000013879018 558889929 /nfs/dbraw/zinc/88/99/29/558889929.db2.gz QMOLBWFYXQZULN-OAHLLOKOSA-N 0 0 411.474 4.507 50 0 HJAARN Cc1ccsc1[C@H]1NC(=S)NC(C)=C1C(=O)Nc1ccccc1C(F)(F)F ZINC000013879041 558890038 /nfs/dbraw/zinc/89/00/38/558890038.db2.gz ITKQMDBARQDCEF-AWEZNQCLSA-N 0 0 411.474 4.507 50 0 HJAARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000011225558 558891813 /nfs/dbraw/zinc/89/18/13/558891813.db2.gz FPUYJFBREVWGGP-ZDUSSCGKSA-N 0 0 408.452 4.588 50 0 HJAARN Cc1ccc([C@@H]2C[C@H](c3cc(Cl)ccc3C(=O)C(F)F)n3ncnc3N2)cc1 ZINC000072333467 558891788 /nfs/dbraw/zinc/89/17/88/558891788.db2.gz ARQBPDXEKBWBDI-DLBZAZTESA-N 0 0 402.832 4.834 50 0 HJAARN O=S(=O)(c1ccccc1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1cc(F)ccc1F ZINC000033140856 558892727 /nfs/dbraw/zinc/89/27/27/558892727.db2.gz VESCLHIFMSIPCJ-QHCPKHFHSA-N 0 0 424.472 4.783 50 0 HJAARN CCCCOc1ccc2cc(C(=O)N(C)Cc3ccc(Br)o3)[nH]c2c1 ZINC000057992816 558893283 /nfs/dbraw/zinc/89/32/83/558893283.db2.gz HKZNHVAZCHQJCI-UHFFFAOYSA-N 0 0 405.292 4.975 50 0 HJAARN CCn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1cccc(C)c1 ZINC000004685316 558895275 /nfs/dbraw/zinc/89/52/75/558895275.db2.gz DTZZKEFMHDXETG-UHFFFAOYSA-N 0 0 412.584 4.771 50 0 HJAARN CCC1CCC(N(C)C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 ZINC000058023107 558896067 /nfs/dbraw/zinc/89/60/67/558896067.db2.gz RYQZGWFWTOTFDI-UHFFFAOYSA-N 0 0 400.544 4.528 50 0 HJAARN CCOc1ccc(CCNC(=O)CCSCc2ccccc2F)cc1OCC ZINC000004688265 558898812 /nfs/dbraw/zinc/89/88/12/558898812.db2.gz JITZGFNCNYEZQY-UHFFFAOYSA-N 0 0 405.535 4.605 50 0 HJAARN Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3Cl)o2)c(C)c1 ZINC000004690437 558899715 /nfs/dbraw/zinc/89/97/15/558899715.db2.gz QEGBKBZAPBSIFJ-UHFFFAOYSA-N 0 0 403.891 4.650 50 0 HJAARN Cc1cc(-c2csc(S(=O)(=O)N(Cc3ccco3)C3CCCCC3)c2)on1 ZINC000033169531 558902917 /nfs/dbraw/zinc/90/29/17/558902917.db2.gz WKCSQVYRMKSFTP-UHFFFAOYSA-N 0 0 406.529 4.828 50 0 HJAARN CCn1c(=O)c(-c2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2)nc2cccnc21 ZINC000033170236 558903339 /nfs/dbraw/zinc/90/33/39/558903339.db2.gz VVYKANLZPBBVOA-UHFFFAOYSA-N 0 0 418.884 4.693 50 0 HJAARN O=C1c2ccccc2C(=O)N1CCCCSCc1cccc(Br)c1 ZINC000058157779 558903492 /nfs/dbraw/zinc/90/34/92/558903492.db2.gz WBYMEEIQTDFHPZ-UHFFFAOYSA-N 0 0 404.329 4.759 50 0 HJAARN CCOC(=O)c1cnn(-c2cccc(NC(=O)N3CCC[C@@H]3c3ccsc3)c2)c1C ZINC000058157979 558903628 /nfs/dbraw/zinc/90/36/28/558903628.db2.gz ODDXXXLBXFFZHP-HXUWFJFHSA-N 0 0 424.526 4.788 50 0 HJAARN CCN(c1ccccc1)S(=O)(=O)c1ccccc1-c1nc(-c2ccc(C)cc2)no1 ZINC000033175606 558904981 /nfs/dbraw/zinc/90/49/81/558904981.db2.gz NTDCYLCDHDEFDL-UHFFFAOYSA-N 0 0 419.506 4.927 50 0 HJAARN CCN(C(=O)NCc1cccc(OC[C@@H]2CCCO2)c1)[C@@H](C)c1ccc(F)cc1 ZINC000058168880 558907697 /nfs/dbraw/zinc/90/76/97/558907697.db2.gz OFKCGBQORNBDEV-JTSKRJEESA-N 0 0 400.494 4.676 50 0 HJAARN Cc1ccc2c(c1)[nH]cc2C1=CCN(C(=O)c2ccc(S(=O)(=O)C(C)C)cc2)CC1 ZINC000058179173 558909900 /nfs/dbraw/zinc/90/99/00/558909900.db2.gz DFNHYQVQDFKKNG-UHFFFAOYSA-N 0 0 422.550 4.588 50 0 HJAARN O=S(=O)(c1cccc(Cl)c1)N(Cc1ccccc1)Cc1ccnc(Cl)c1 ZINC000058182761 558910462 /nfs/dbraw/zinc/91/04/62/558910462.db2.gz JDAVJNZRBISKRO-UHFFFAOYSA-N 0 0 407.322 4.780 50 0 HJAARN O=C(Nc1ccccc1)c1ccc(Cl)c(NC(=O)N(C[C@@H]2CCOC2)C2CC2)c1 ZINC000058203147 558911715 /nfs/dbraw/zinc/91/17/15/558911715.db2.gz ZVZZMLYJTJUDRF-HNNXBMFYSA-N 0 0 413.905 4.625 50 0 HJAARN COc1cc(OC)c(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1OC ZINC000058213081 558912190 /nfs/dbraw/zinc/91/21/90/558912190.db2.gz GWBDCELMZZYBSM-UHFFFAOYSA-N 0 0 403.438 4.508 50 0 HJAARN COc1ccc(CCC(=O)Nc2cccc(OC(F)F)c2C)cc1Br ZINC000058227598 558913954 /nfs/dbraw/zinc/91/39/54/558913954.db2.gz VKIYMBDBYREBKL-UHFFFAOYSA-N 0 0 414.246 4.939 50 0 HJAARN COC(=O)c1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 ZINC000004715800 558915288 /nfs/dbraw/zinc/91/52/88/558915288.db2.gz SLFWKXJAVLHQBD-WMZHIEFXSA-N 0 0 418.449 4.626 50 0 HJAARN CCCC[C@@H](CC)C(=O)N(CCC)CC(=O)Nc1nnc(-c2cccc(C)c2)s1 ZINC000004717270 558915814 /nfs/dbraw/zinc/91/58/14/558915814.db2.gz QQITWVNNRRFGCX-QGZVFWFLSA-N 0 0 416.591 4.907 50 0 HJAARN CC(C)C[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1)c1cccc(C(F)(F)F)c1 ZINC000058294714 558917170 /nfs/dbraw/zinc/91/71/70/558917170.db2.gz GNJRDNDDKINGDG-SFHVURJKSA-N 0 0 413.461 4.626 50 0 HJAARN CC(C)c1ccc(CNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc1 ZINC000033252268 558920670 /nfs/dbraw/zinc/92/06/70/558920670.db2.gz AAJRPDLSKHRKNW-UHFFFAOYSA-N 0 0 423.582 4.626 50 0 HJAARN O=C(c1ccccc1Cl)n1nc(NCc2ccccc2)nc1NCc1ccccc1 ZINC000004723805 558922787 /nfs/dbraw/zinc/92/27/87/558922787.db2.gz RUFSNRKVRCARCY-UHFFFAOYSA-N 0 0 417.900 4.844 50 0 HJAARN O=C(c1ccc(Cl)cc1)n1nc(NCc2ccccc2)nc1NCc1ccccc1 ZINC000004723801 558922819 /nfs/dbraw/zinc/92/28/19/558922819.db2.gz JSSZQJGLSLRYKG-UHFFFAOYSA-N 0 0 417.900 4.844 50 0 HJAARN COc1cc(Cl)c(NC(=O)c2cccc(-c3noc(C4CCC4)n3)c2)c(OC)c1 ZINC000033257726 558924468 /nfs/dbraw/zinc/92/44/68/558924468.db2.gz QCTIUAIMWCZMAU-UHFFFAOYSA-N 0 0 413.861 4.927 50 0 HJAARN NC(=O)C1CCN(c2ccccc2NC(=O)c2ccc(-c3ccccc3Cl)o2)CC1 ZINC000058423564 558926003 /nfs/dbraw/zinc/92/60/03/558926003.db2.gz KXCGIHXDHNZWLF-UHFFFAOYSA-N 0 0 423.900 4.554 50 0 HJAARN Cc1nc(-c2ccc(C)cc2C)sc1C(=O)Oc1cccc(-c2ncc(N)cn2)c1 ZINC000058432846 558926558 /nfs/dbraw/zinc/92/65/58/558926558.db2.gz XPWLFZHCQJQJNZ-UHFFFAOYSA-N 0 0 416.506 4.994 50 0 HJAARN CC[C@@H](OC)C(=O)Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1 ZINC000058432593 558926588 /nfs/dbraw/zinc/92/65/88/558926588.db2.gz GLBRQCMDGRRAEP-OAHLLOKOSA-N 0 0 407.239 4.760 50 0 HJAARN O=C(CCNC(=O)c1ccc2ccccc2c1)N(Cc1ccccc1)c1ccccn1 ZINC000058690765 558929361 /nfs/dbraw/zinc/92/93/61/558929361.db2.gz QIVLUAXUNKYOIP-UHFFFAOYSA-N 0 0 409.489 4.588 50 0 HJAARN COc1cc2c(cc1NC(=O)CCc1nc(-c3ccncc3)no1)oc1ccccc12 ZINC000011198479 558933467 /nfs/dbraw/zinc/93/34/67/558933467.db2.gz CTHQUUQPRGAGKE-UHFFFAOYSA-N 0 0 414.421 4.611 50 0 HJAARN COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(C)cc2)C12CCCCC2 ZINC000072401165 558935705 /nfs/dbraw/zinc/93/57/05/558935705.db2.gz QWTDJTRDKPHJKF-JOCHJYFZSA-N 0 0 406.526 4.522 50 0 HJAARN Cc1nnc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCCC3)s1 ZINC000072402065 558936833 /nfs/dbraw/zinc/93/68/33/558936833.db2.gz LDXIUHLIMBAKNW-IBGZPJMESA-N 0 0 424.570 4.670 50 0 HJAARN Cc1cccc(CSc2nc3c(c(=O)[nH]2)[C@@H](c2cc(F)cc(F)c2)CC(=O)N3)c1 ZINC000021784832 558949923 /nfs/dbraw/zinc/94/99/23/558949923.db2.gz AWHJEEKEHJOPOE-MRXNPFEDSA-N 0 0 413.449 4.535 50 0 HJAARN C[C@@]1(C(=O)NC2CCCCC2)Cn2c3ccsc3cc2C(=O)N1C1CCCCC1 ZINC000021808461 558952975 /nfs/dbraw/zinc/95/29/75/558952975.db2.gz GAVLLEGXZVTBBC-QHCPKHFHSA-N 0 0 413.587 4.699 50 0 HJAARN Cc1ccc(N2C(=O)c3cc4occc4n3C[C@@]2(C)C(=O)NC2CCCCC2)c(C)c1 ZINC000021810540 558953309 /nfs/dbraw/zinc/95/33/09/558953309.db2.gz FZGSUQCESXMFLR-VWLOTQADSA-N 0 0 419.525 4.719 50 0 HJAARN CCN(C(=O)CSc1nccn2nc(-c3ccccc3)cc12)c1cccc(C)c1 ZINC000064591368 558964466 /nfs/dbraw/zinc/96/44/66/558964466.db2.gz UKXASYADSOBTMD-UHFFFAOYSA-N 0 0 402.523 4.850 50 0 HJAARN CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCCCC[C@@H]1c1ccccc1Cl ZINC000064984287 558968393 /nfs/dbraw/zinc/96/83/93/558968393.db2.gz JMYKNPIQEPWJOK-HXUWFJFHSA-N 0 0 420.962 4.913 50 0 HJAARN COc1ccc(NC(=O)c2c3c(nc4ccccc42)C(=O)N(C2CCCCC2)C3)cc1 ZINC000021915304 558971764 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COc1ccc(OC)c([C@@H]2CCCN2C(=O)/C=C\c2ccccc2Br)c1 ZINC000096879373 558993486 /nfs/dbraw/zinc/99/34/86/558993486.db2.gz NWMOUFQMFCSHER-ADYPVZHUSA-N 0 0 416.315 4.843 50 0 HJAARN COC(=O)c1cccc(NC(=O)/C=C/c2ccc(OCc3csc(C)n3)cc2)c1C ZINC000023054423 558994498 /nfs/dbraw/zinc/99/44/98/558994498.db2.gz WWRHHZPIMWIIPD-FMIVXFBMSA-N 0 0 422.506 4.777 50 0 HJAARN Oc1cc(-c2csc3ccccc23)cc2c1OCCN(c1noc(C3CC3)n1)C2 ZINC000067908697 558994597 /nfs/dbraw/zinc/99/45/97/558994597.db2.gz GSJBCHLHSKLWGW-UHFFFAOYSA-N 0 0 405.479 4.933 50 0 HJAARN O=C(Nc1cccc(Cl)c1)N1CC[C@H](n2c(-c3ccco3)nc3cccnc32)C1 ZINC000097112874 558994964 /nfs/dbraw/zinc/99/49/64/558994964.db2.gz QWKVIVLKUILZNF-INIZCTEOSA-N 0 0 407.861 4.824 50 0 HJAARN Cc1cc(C)cc(NC(=O)N2CC[C@H](n3c(-c4ccco4)nc4cccnc43)C2)c1 ZINC000097111411 558995383 /nfs/dbraw/zinc/99/53/83/558995383.db2.gz DDBVPDBIEOZDBN-SFHVURJKSA-N 0 0 401.470 4.787 50 0 HJAARN Cc1ccccc1-c1ccc(N2CCC[C@H](C(=O)NCc3ccc(Cl)cc3)C2)nn1 ZINC000022485930 558996159 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Cc1cccc(NC(=O)COc2ccccc2-c2noc(-c3ccccc3F)n2)c1 ZINC000033324994 559058584 /nfs/dbraw/zinc/05/85/84/559058584.db2.gz UUBBQDFURWUIKR-UHFFFAOYSA-N 0 0 403.413 4.869 50 0 HJAARN Cc1ccc(NC(=O)COc2ccccc2-c2noc(-c3cccc(F)c3)n2)cc1 ZINC000033324967 559058586 /nfs/dbraw/zinc/05/85/86/559058586.db2.gz VZJPPCPUEOHOGL-UHFFFAOYSA-N 0 0 403.413 4.869 50 0 HJAARN COc1ccccc1NC(=O)COc1ccccc1-c1noc(-c2cccc(F)c2)n1 ZINC000033325077 559058611 /nfs/dbraw/zinc/05/86/11/559058611.db2.gz HHTVZACXIPYCGT-UHFFFAOYSA-N 0 0 419.412 4.569 50 0 HJAARN Cc1ccc(NC(=O)Cc2c(C)nc3nc(C4CCCCC4)nn3c2C)cc1Cl ZINC000086070116 559059431 /nfs/dbraw/zinc/05/94/31/559059431.db2.gz UTAFTMKMRWYFEX-UHFFFAOYSA-N 0 0 411.937 4.932 50 0 HJAARN COc1ccc(NC(=O)COc2cccc(-c3noc(-c4ccc(F)cc4)n3)c2)cc1 ZINC000033327329 559059987 /nfs/dbraw/zinc/05/99/87/559059987.db2.gz UHRWDRBABQEEIX-UHFFFAOYSA-N 0 0 419.412 4.569 50 0 HJAARN COc1ccccc1NC(=O)COc1cccc(-c2noc(-c3cccc(C)c3)n2)c1 ZINC000033327268 559059988 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O=C(NCc1cccc(F)c1)NC1(c2nc(-c3ccsc3)no2)CCCCC1 ZINC000090590636 559068770 /nfs/dbraw/zinc/06/87/70/559068770.db2.gz AMVPKMNXNQRYCW-UHFFFAOYSA-N 0 0 400.479 4.596 50 0 HJAARN Cc1cc(C(=O)CSc2nnc(N3CCC(C)CC3)n2C2CC2)c(C)n1C1CC1 ZINC000011424116 559075736 /nfs/dbraw/zinc/07/57/36/559075736.db2.gz SPZWNBRFHAITEM-UHFFFAOYSA-N 0 0 413.591 4.578 50 0 HJAARN O=C(Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1ccc(OC(F)F)cc1 ZINC000011450491 559076640 /nfs/dbraw/zinc/07/66/40/559076640.db2.gz PICHNAACFKDIQM-UHFFFAOYSA-N 0 0 415.421 4.549 50 0 HJAARN O=C(Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1ccc(C(F)(F)F)cc1 ZINC000011451203 559076957 /nfs/dbraw/zinc/07/69/57/559076957.db2.gz BPLHOMOCYZXQRF-UHFFFAOYSA-N 0 0 417.412 4.966 50 0 HJAARN O[C@H](CSc1nnc(-c2ccccc2F)n1Cc1ccccc1)c1ccccc1 ZINC000011466655 559077712 /nfs/dbraw/zinc/07/77/12/559077712.db2.gz BTMMPFNBIBLGOZ-OAQYLSRUSA-N 0 0 405.498 4.958 50 0 HJAARN CC(C)CN(CC(C)C)C(=O)COC(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000013984729 559112243 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410.905 4.664 50 0 HJAARN O=C(NCc1ccccc1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023313949 559115670 /nfs/dbraw/zinc/11/56/70/559115670.db2.gz GJQFKMCUZYDDCW-XMMPIXPASA-N 0 0 419.956 4.957 50 0 HJAARN COc1cccc(CCNC(=O)c2c(C)noc2-c2cccc(C(F)(F)F)c2)c1 ZINC000023317993 559117689 /nfs/dbraw/zinc/11/76/89/559117689.db2.gz FVOUQASVUDYBRG-UHFFFAOYSA-N 0 0 404.388 4.650 50 0 biogenic HJAARN CCOC(=O)Cc1csc(NC(=O)c2ccccc2Nc2cccc(C)c2C)n1 ZINC000011639904 559118847 /nfs/dbraw/zinc/11/88/47/559118847.db2.gz CXLQJEQVDPOPQQ-UHFFFAOYSA-N 0 0 409.511 4.861 50 0 HJAARN COC(=O)[C@@H](Cc1ccccc1C)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000097756887 559121006 /nfs/dbraw/zinc/12/10/06/559121006.db2.gz YMHVNDQUKYTJSN-XMMPIXPASA-N 0 0 415.489 4.618 50 0 HJAARN CCc1ccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1 ZINC000098072948 559126499 /nfs/dbraw/zinc/12/64/99/559126499.db2.gz FGRXCHZYZGMFIV-UHFFFAOYSA-N 0 0 408.239 4.831 50 0 HJAARN CCOC(=O)c1sc(-c2cccc(-c3nc(C)c(C(=O)OCC)s3)c2)nc1C ZINC000098073404 559126820 /nfs/dbraw/zinc/12/68/20/559126820.db2.gz WMYQGKKJYWIJJX-UHFFFAOYSA-N 0 0 416.524 4.904 50 0 HJAARN CCc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(OC)c(F)c3)no2)cc1 ZINC000098211382 559127260 /nfs/dbraw/zinc/12/72/60/559127260.db2.gz UXVHIGZZKMMATD-UHFFFAOYSA-N 0 0 420.444 4.554 50 0 HJAARN CCOc1ccc(CC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3Cl)no2)cc1 ZINC000098212185 559127633 /nfs/dbraw/zinc/12/76/33/559127633.db2.gz LNSCWRMFIXNOMG-LJQANCHMSA-N 0 0 411.889 4.695 50 0 HJAARN O=C(c1ccc(F)c(F)c1)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000023322345 559135049 /nfs/dbraw/zinc/13/50/49/559135049.db2.gz JDURHNCXURFEOE-QHCPKHFHSA-N 0 0 410.439 4.651 50 0 HJAARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000014017371 559143363 /nfs/dbraw/zinc/14/33/63/559143363.db2.gz FDYVVAHOCQLXID-UHFFFAOYSA-N 0 0 408.454 4.863 50 0 HJAARN O=C(Cc1csc(-c2cccc(F)c2)n1)NCCc1ccc(C(F)(F)F)cc1 ZINC000014095441 559150689 /nfs/dbraw/zinc/15/06/89/559150689.db2.gz FMEKTLJVEAKVQV-UHFFFAOYSA-N 0 0 408.420 4.869 50 0 HJAARN CC(C)c1ccc(-c2noc(CSc3nnc(NC[C@@H]4CCCO4)s3)n2)cc1 ZINC000014109016 559151144 /nfs/dbraw/zinc/15/11/44/559151144.db2.gz VSFZXRPPVFOLBN-HNNXBMFYSA-N 0 0 417.560 4.595 50 0 HJAARN O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000023326725 559154625 /nfs/dbraw/zinc/15/46/25/559154625.db2.gz OBJOAFMJTWXHSE-UHFFFAOYSA-N 0 0 424.444 4.635 50 0 HJAARN CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(F)c(Cl)c1)n2CCOC ZINC000023328050 559155769 /nfs/dbraw/zinc/15/57/69/559155769.db2.gz STODLMLKGDKJHY-UHFFFAOYSA-N 0 0 422.909 4.944 50 0 HJAARN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OP(=O)(N5CC5)N5CC5)CC[C@@]43C)[C@H]1CCC2=O ZINC000263621534 559166527 /nfs/dbraw/zinc/16/65/27/559166527.db2.gz XSVDHLSLBYJBSG-AKRZJBHZSA-N 0 0 418.518 4.643 50 0 biogenic HJAARN O=C(c1nc(Cl)ccc1Cl)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000014499238 559167284 /nfs/dbraw/zinc/16/72/84/559167284.db2.gz JMDKODPPSOREDF-LLVKDONJSA-N 0 0 408.310 4.824 50 0 HJAARN CCNC(=O)c1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)c1 ZINC000014573169 559169390 /nfs/dbraw/zinc/16/93/90/559169390.db2.gz ZIEYSJKKJDHBPD-UHFFFAOYSA-N 0 0 416.506 4.603 50 0 HJAARN Cc1nnc(-c2cc(C(C)(C)C)n(-c3ccc(C(=O)NC(C(C)C)C(C)C)cc3)n2)o1 ZINC000023331725 559170466 /nfs/dbraw/zinc/17/04/66/559170466.db2.gz YTRYYGPJTMBGEQ-UHFFFAOYSA-N 0 0 423.561 4.939 50 0 HJAARN CC[C@@H]1CCCCN1C(=O)c1cccc(-n2nc(-c3nnc(C)o3)cc2C2CC2)c1 ZINC000023331934 559170497 /nfs/dbraw/zinc/17/04/97/559170497.db2.gz OKZJHGKZUAZJLI-GOSISDBHSA-N 0 0 405.502 4.513 50 0 HJAARN CC[C@H]1CCCCN1C(=O)c1cccc(-n2nc(-c3nnc(C)o3)cc2C2CC2)c1 ZINC000023331936 559170524 /nfs/dbraw/zinc/17/05/24/559170524.db2.gz OKZJHGKZUAZJLI-SFHVURJKSA-N 0 0 405.502 4.513 50 0 HJAARN CCOC(=O)c1cc(-c2ccccc2C)n(-c2ccc(C(=O)N(CC)CC)cc2)n1 ZINC000023333207 559171817 /nfs/dbraw/zinc/17/18/17/559171817.db2.gz WFDRLDSQFASCJC-UHFFFAOYSA-N 0 0 405.498 4.506 50 0 HJAARN COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)N(C(=O)Cc1ccc(F)cc1)CC2 ZINC000023426916 559174119 /nfs/dbraw/zinc/17/41/19/559174119.db2.gz BQSYLTNVYFLTFW-RUZDIDTESA-N 0 0 423.459 4.699 50 0 HJAARN COc1ccc(-c2nc(CNC(=O)c3c(C)noc3-c3ccccc3C)c(C)o2)cc1 ZINC000023450164 559174695 /nfs/dbraw/zinc/17/46/95/559174695.db2.gz UMKMAXPYFKWLAD-UHFFFAOYSA-N 0 0 417.465 4.860 50 0 HJAARN Cc1nnc(-c2cc(C(C)C)n(-c3cccc(C(=O)N[C@H](C)c4ccccc4)c3)n2)o1 ZINC000023451005 559174710 /nfs/dbraw/zinc/17/47/10/559174710.db2.gz JUWGZHPPWHBONZ-MRXNPFEDSA-N 0 0 415.497 4.845 50 0 HJAARN Cc1nnc(-c2cc(C(C)C)n(-c3ccc(C(=O)NCc4ccccc4C)cc3)n2)o1 ZINC000023446745 559175317 /nfs/dbraw/zinc/17/53/17/559175317.db2.gz XORSQOIDGVXWEC-UHFFFAOYSA-N 0 0 415.497 4.593 50 0 HJAARN COc1c(Br)cc(F)cc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000023513635 559176492 /nfs/dbraw/zinc/17/64/92/559176492.db2.gz CIZBOSKYNSYJNO-SECBINFHSA-N 0 0 402.647 4.656 50 0 HJAARN CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1Cc1ccc(Br)cc1 ZINC000011692521 559186469 /nfs/dbraw/zinc/18/64/69/559186469.db2.gz ILHQUCSBGRLEMN-LJQANCHMSA-N 0 0 412.331 4.921 50 0 HJAARN COc1ccc2nc(-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)cn2n1 ZINC000011693385 559187570 /nfs/dbraw/zinc/18/75/70/559187570.db2.gz QEFXRKIZHLJVQX-UHFFFAOYSA-N 0 0 412.371 4.676 50 0 HJAARN COC(=O)c1ccoc1CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 ZINC000024102902 559190162 /nfs/dbraw/zinc/19/01/62/559190162.db2.gz NHUBBTCAXRHYOH-UHFFFAOYSA-N 0 0 423.469 4.804 50 0 HJAARN CCCC[C@H](CC)C(=O)N(Cc1ccco1)Cc1cccc(OS(=O)(=O)CC)c1 ZINC000004873041 559194810 /nfs/dbraw/zinc/19/48/10/559194810.db2.gz WBIVIDYTPLZJFR-IBGZPJMESA-N 0 0 421.559 4.753 50 0 HJAARN COc1ccc(NC(=O)CSC2=NC(C)(C)N=C2c2ccc(Cl)cc2)cc1 ZINC000004890738 559198316 /nfs/dbraw/zinc/19/83/16/559198316.db2.gz FSBWEPFXEIVOOH-UHFFFAOYSA-N 0 0 401.919 4.658 50 0 HJAARN COc1ccc(N2C(=O)c3c(c4ccccc4n3C)[C@H]2c2ccc(OC)c(O)c2)cc1 ZINC000004913229 559202954 /nfs/dbraw/zinc/20/29/54/559202954.db2.gz YKUOSEDWEFJCGK-HSZRJFAPSA-N 0 0 414.461 4.651 50 0 HJAARN CCn1ncc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)c1C ZINC000118928077 559206209 /nfs/dbraw/zinc/20/62/09/559206209.db2.gz VKRFPVDWWWRUGS-WCHYJMRNSA-N 0 0 410.602 4.889 50 0 HJAARN Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)N[C@H](C)c1cccs1 ZINC000004935250 559210222 /nfs/dbraw/zinc/21/02/22/559210222.db2.gz MGJAXTCDGVLGRL-MRXNPFEDSA-N 0 0 404.539 4.885 50 0 HJAARN COc1ccccc1NC(=O)CCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1C ZINC000004935809 559210666 /nfs/dbraw/zinc/21/06/66/559210666.db2.gz GVYOELHYRBFOJP-UHFFFAOYSA-N 0 0 414.509 4.901 50 0 HJAARN CCn1c(=O)c2cc(C(=O)NCc3ccc(F)cc3Cl)sc2c2ccccc21 ZINC000004939197 559211707 /nfs/dbraw/zinc/21/17/07/559211707.db2.gz QUMZPJPSYXUWLX-UHFFFAOYSA-N 0 0 414.889 4.959 50 0 HJAARN CCn1c(=O)cc(SCC(=O)NCC2(c3ccccc3)CCCC2)c2ccccc21 ZINC000004936702 559211872 /nfs/dbraw/zinc/21/18/72/559211872.db2.gz OOEMSWSDLLVNSH-UHFFFAOYSA-N 0 0 420.578 4.742 50 0 HJAARN COc1ccc(Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3cc(C)ccc32)cc1 ZINC000004937244 559212238 /nfs/dbraw/zinc/21/22/38/559212238.db2.gz KITQUZHFHHIAQV-UHFFFAOYSA-N 0 0 401.437 4.737 50 0 HJAARN COc1ccccc1Cn1cccc1C1=N[C@@H](CSCc2ccccc2C)CO1 ZINC000004971071 559220359 /nfs/dbraw/zinc/22/03/59/559220359.db2.gz YGIOUYDWUYIMCK-OAQYLSRUSA-N 0 0 406.551 4.932 50 0 HJAARN COc1ccccc1Cn1cccc1C1=N[C@@H](CSCc2ccc(C)cc2)CO1 ZINC000004971043 559220368 /nfs/dbraw/zinc/22/03/68/559220368.db2.gz OWXPWMNSMYDWCQ-OAQYLSRUSA-N 0 0 406.551 4.932 50 0 HJAARN Cc1ccc(-n2c(=O)c3cnn(-c4ccccc4Cl)c3nc2-c2ccco2)cc1 ZINC000004971942 559221028 /nfs/dbraw/zinc/22/10/28/559221028.db2.gz JJLZLCSFLFTCSJ-UHFFFAOYSA-N 0 0 402.841 4.793 50 0 HJAARN O=C(NC(=S)Nc1ccc(N2CCCC2)cc1)c1ccc(-c2ccccc2F)o1 ZINC000005033268 559231697 /nfs/dbraw/zinc/23/16/97/559231697.db2.gz BFDGKCYXOHGOAT-UHFFFAOYSA-N 0 0 409.486 4.813 50 0 HJAARN COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CCCC2)c(OC)c1 ZINC000005035571 559232114 /nfs/dbraw/zinc/23/21/14/559232114.db2.gz OALCNOZZRBRMIE-UHFFFAOYSA-N 0 0 408.454 4.831 50 0 HJAARN CCc1ccc(-c2nc(CSCC(=O)NCc3ccc(OC)cc3)c(C)o2)cc1 ZINC000005057577 559238031 /nfs/dbraw/zinc/23/80/31/559238031.db2.gz JUJWVKCWKUHVMV-UHFFFAOYSA-N 0 0 410.539 4.771 50 0 HJAARN Cc1ccc(CNC(=O)c2c(N)n(-c3ccc(C)cc3)c3nc4ccccc4nc32)cc1 ZINC000005065809 559239736 /nfs/dbraw/zinc/23/97/36/559239736.db2.gz NWJDYTVACLSHAT-UHFFFAOYSA-N 0 0 421.504 4.703 50 0 HJAARN CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3cccs3)N2C1=O ZINC000005065976 559239825 /nfs/dbraw/zinc/23/98/25/559239825.db2.gz ZJLFXPOCNWXOIW-CRAIPNDOSA-N 0 0 412.536 4.530 50 0 HJAARN Cc1nc(SCc2nc(N)nc(Nc3ccccc3C)n2)n(C2CCCC2)c1C ZINC000005090327 559243469 /nfs/dbraw/zinc/24/34/69/559243469.db2.gz PKXZVVCRCSHMCM-UHFFFAOYSA-N 0 0 409.563 4.727 50 0 HJAARN Cc1cccc(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000005107106 559246089 /nfs/dbraw/zinc/24/60/89/559246089.db2.gz WCMLAZOJFRTMCR-UHFFFAOYSA-N 0 0 414.417 4.975 50 0 HJAARN CCOc1cc(C(=O)OCc2nc3ccccc3s2)cc(OCC)c1OCC ZINC000005112957 559246921 /nfs/dbraw/zinc/24/69/21/559246921.db2.gz ZKFWLECFSWTNEG-UHFFFAOYSA-N 0 0 401.484 4.849 50 0 HJAARN CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)cc1 ZINC000005131934 559249569 /nfs/dbraw/zinc/24/95/69/559249569.db2.gz KXUYLKDOFUUBDG-UHFFFAOYSA-N 0 0 403.463 4.614 50 0 HJAARN COC(=O)c1cc2oc3ccccc3c2n1CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000005135492 559250562 /nfs/dbraw/zinc/25/05/62/559250562.db2.gz QURUHIGGBAPKIX-UHFFFAOYSA-N 0 0 400.793 4.605 50 0 HJAARN C[C@@H](NC(=O)CSCc1cnn(-c2ccccc2)c1-n1cccc1)c1ccccc1 ZINC000005135564 559250647 /nfs/dbraw/zinc/25/06/47/559250647.db2.gz SWEXBCWRSFNLSB-LJQANCHMSA-N 0 0 416.550 4.774 50 0 HJAARN Cc1ccc(S(=O)(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1C ZINC000005137589 559251289 /nfs/dbraw/zinc/25/12/89/559251289.db2.gz LOPSWXALHOCXOU-UHFFFAOYSA-N 0 0 406.960 4.601 50 0 HJAARN O=S(=O)(NCCc1csc(-c2cccc(F)c2)n1)c1ccc2ccccc2c1 ZINC000005137719 559251369 /nfs/dbraw/zinc/25/13/69/559251369.db2.gz INOFMVLTWDDHBE-UHFFFAOYSA-N 0 0 412.511 4.623 50 0 HJAARN O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000005140086 559251454 /nfs/dbraw/zinc/25/14/54/559251454.db2.gz RHBIJLPBMYNMAR-UHFFFAOYSA-N 0 0 416.308 4.611 50 0 HJAARN COc1ccc(-c2cn3c(CC(=O)NCc4ccccc4Cl)csc3n2)cc1 ZINC000005146885 559252667 /nfs/dbraw/zinc/25/26/67/559252667.db2.gz AJBSZPIUVUZJOD-UHFFFAOYSA-N 0 0 411.914 4.584 50 0 HJAARN Cc1cc(C)c2c(nn3c2nc(C)c(CCC(=O)Nc2ccc(C)c(C)c2)c3C)n1 ZINC000005151015 559253829 /nfs/dbraw/zinc/25/38/29/559253829.db2.gz BOOFTWNKUVAADU-UHFFFAOYSA-N 0 0 401.514 4.699 50 0 HJAARN CCC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)N(C)Cc2ccco2)c1 ZINC000037601451 559255634 /nfs/dbraw/zinc/25/56/34/559255634.db2.gz NHPXPHPPVYCQEG-UHFFFAOYSA-N 0 0 408.473 4.563 50 0 HJAARN Cc1cccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(Cl)cc2)c1 ZINC000038652949 559258158 /nfs/dbraw/zinc/25/81/58/559258158.db2.gz NRDUVVOUKSGFIO-UHFFFAOYSA-N 0 0 420.943 4.787 50 0 HJAARN Cc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nccs2)cc1 ZINC000005156476 559258996 /nfs/dbraw/zinc/25/89/96/559258996.db2.gz PQVQBGVQNNUUHN-QGZVFWFLSA-N 0 0 408.866 4.961 50 0 HJAARN COc1ccc2nc(NC(=O)CCc3ncc(-c4ccc(F)cc4F)o3)sc2c1 ZINC000011807115 559260135 /nfs/dbraw/zinc/26/01/35/559260135.db2.gz HZIYPYGUKCJVNN-UHFFFAOYSA-N 0 0 415.421 4.809 50 0 HJAARN CCCCOc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1OC ZINC000005157424 559261908 /nfs/dbraw/zinc/26/19/08/559261908.db2.gz RCUPFKVWIWDNDX-PUESRJFGSA-N 0 0 420.553 4.901 50 0 HJAARN COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](c2ccccc2)C=C[C@H]3c2ccccc2)cc1 ZINC000248133690 559265192 /nfs/dbraw/zinc/26/51/92/559265192.db2.gz LXUKXGWYVAEBLK-OJJQZRKESA-N 0 0 409.485 4.938 50 0 HJAARN COc1cccc2c(C)cc3nnc(SCC(=O)Nc4cc(C)cc(C)c4)n3c12 ZINC000011903254 559265828 /nfs/dbraw/zinc/26/58/28/559265828.db2.gz FSPHYCBKSUWNJH-UHFFFAOYSA-N 0 0 406.511 4.547 50 0 HJAARN O=C(Nc1ccccc1F)c1nc(SCc2ccccc2)ncc1Br ZINC000011916299 559267289 /nfs/dbraw/zinc/26/72/89/559267289.db2.gz YQJZNJBVYBBSFX-UHFFFAOYSA-N 0 0 418.291 4.923 50 0 HJAARN Cc1cc(OCC(=O)Nc2nonc2-c2ccc(OCC(C)C)cc2)ccc1Cl ZINC000011915538 559267762 /nfs/dbraw/zinc/26/77/62/559267762.db2.gz IHWAWKZFXZIOGS-UHFFFAOYSA-N 0 0 415.877 4.751 50 0 HJAARN COc1ccc(OC)c(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)c1 ZINC000011923560 559268538 /nfs/dbraw/zinc/26/85/38/559268538.db2.gz IYSUWSZFAGZPCT-UHFFFAOYSA-N 0 0 405.479 4.870 50 0 HJAARN CCn1nc(C)c(CN2CCOc3ccc([C@H](O)CCc4ccccc4)cc3C2)c1C ZINC000011998026 559270085 /nfs/dbraw/zinc/27/00/85/559270085.db2.gz GKKWJGDZVVFWPS-RUZDIDTESA-N 0 0 419.569 4.581 50 0 HJAARN COc1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(OC)c1 ZINC000024160187 559274829 /nfs/dbraw/zinc/27/48/29/559274829.db2.gz KISKVAZXXKQGBG-JTQLQIEISA-N 0 0 402.800 4.815 50 0 HJAARN Cc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 ZINC000005164506 559275912 /nfs/dbraw/zinc/27/59/12/559275912.db2.gz PDSPAQGEIPIYAN-NRFANRHFSA-N 0 0 400.409 4.694 50 0 HJAARN CN(C)C(=O)COC(=O)c1c2c(nc3ccccc31)/C(=C\c1ccccc1Cl)CC2 ZINC000097655922 559276335 /nfs/dbraw/zinc/27/63/35/559276335.db2.gz MRIYPRXEPUPGKY-SSZFMOIBSA-N 0 0 420.896 4.620 50 0 HJAARN COc1ccc([C@H]2CC(c3ccccc3OC(=O)c3ccccc3)=NN2C(C)=O)cc1 ZINC000005164761 559276897 /nfs/dbraw/zinc/27/68/97/559276897.db2.gz LGTZARJXHZLZRV-HSZRJFAPSA-N 0 0 414.461 4.612 50 0 HJAARN COc1ccc([C@@H]2CC(c3ccccc3OC(=O)c3ccccc3)=NN2C(C)=O)cc1 ZINC000005164760 559276903 /nfs/dbraw/zinc/27/69/03/559276903.db2.gz LGTZARJXHZLZRV-QHCPKHFHSA-N 0 0 414.461 4.612 50 0 HJAARN O=C(NCc1ccccc1)/C(=C\c1cccc2ccccc12)NC(=O)c1ccccc1 ZINC000005165189 559278648 /nfs/dbraw/zinc/27/86/48/559278648.db2.gz OSTOUXGUSJTQNU-XIEYBQDHSA-N 0 0 406.485 4.927 50 0 HJAARN COc1ccc(/C=C2\SC(=O)N(CNc3ccccc3Br)C2=O)cc1 ZINC000033908987 559291166 /nfs/dbraw/zinc/29/11/66/559291166.db2.gz NEYWRZONYSXWTP-YBEGLDIGSA-N 0 0 419.300 4.564 50 0 HJAARN Cc1cc2nc3s/c(=C\c4ccc(-c5ccc(F)cc5F)o4)c(=O)n3c2cc1C ZINC000005205865 560539325 /nfs/dbraw/zinc/53/93/25/560539325.db2.gz AHQBYPGALDUWLT-JMIUGGIZSA-N 0 0 408.429 4.612 50 0 HJAARN Cn1ccnc1SCc1ccc(C(=O)N2CC[C@@](C)(CCc3ccccc3)C2)o1 ZINC000079050548 560541511 /nfs/dbraw/zinc/54/15/11/560541511.db2.gz VEDXYVOAEDTSSQ-HSZRJFAPSA-N 0 0 409.555 4.790 50 0 HJAARN Cc1onc(-c2ccccc2)c1C(=O)N1OC[C@@H]2COc3ccc4ccccc4c3[C@@H]21 ZINC000005212068 560542613 /nfs/dbraw/zinc/54/26/13/560542613.db2.gz ZFMDFIWEWSAFSI-MHECFPHRSA-N 0 0 412.445 4.941 50 0 HJAARN CCCCOc1ccc(CN2C(=O)C(=O)c3cc(Br)cc(C)c32)cc1 ZINC000005234855 560548152 /nfs/dbraw/zinc/54/81/52/560548152.db2.gz YOBLWZNVJGRYCK-UHFFFAOYSA-N 0 0 402.288 4.666 50 0 HJAARN Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CC1=O ZINC000005235791 560548324 /nfs/dbraw/zinc/54/83/24/560548324.db2.gz UFFYGPUYAIXRPP-FQEVSTJZSA-N 0 0 411.505 4.944 50 0 HJAARN Cc1ccc(C)c(-n2cc3c(c2-c2ccc(C(C)(C)C)cc2)c(=O)n(C)c(=O)n3C)c1 ZINC000005249613 560549161 /nfs/dbraw/zinc/54/91/61/560549161.db2.gz KLCQRWQFTZDAJB-UHFFFAOYSA-N 0 0 415.537 4.609 50 0 HJAARN CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 ZINC000005241367 560549383 /nfs/dbraw/zinc/54/93/83/560549383.db2.gz HLAYCNYOPMGUGW-UHFFFAOYSA-N 0 0 406.463 4.541 50 0 HJAARN CCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)on2)c1 ZINC000005243678 560550082 /nfs/dbraw/zinc/55/00/82/560550082.db2.gz FETSXAGJDYHSBL-OAQYLSRUSA-N 0 0 416.433 4.628 50 0 HJAARN COc1cccc(-c2c(=O)c3ccccc3n(C)c2NC(=O)c2ccccc2F)c1 ZINC000005246095 560550397 /nfs/dbraw/zinc/55/03/97/560550397.db2.gz VRVJBXMJPRMWLC-UHFFFAOYSA-N 0 0 402.425 4.606 50 0 HJAARN O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccnc2)N1c1nc2ccccc2s1 ZINC000005246609 560550643 /nfs/dbraw/zinc/55/06/43/560550643.db2.gz SSPHXCUKEOYZQF-LJQANCHMSA-N 0 0 411.442 4.548 50 0 HJAARN C[C@H]1CN(C(=O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)C[C@H](C)O1 ZINC000005255856 560552367 /nfs/dbraw/zinc/55/23/67/560552367.db2.gz CTNDVBYNPRXBPE-STQMWFEESA-N 0 0 419.597 4.595 50 0 HJAARN O=C(COc1ccccc1)N(Cc1ccccn1)c1nc2c(cc(F)cc2F)s1 ZINC000005265259 560553523 /nfs/dbraw/zinc/55/35/23/560553523.db2.gz YGWQLWUKFWKVNG-UHFFFAOYSA-N 0 0 411.433 4.582 50 0 HJAARN CC1(C)Cc2c3c(nc(-c4ccco4)c2CO1)sc1c3ncnc1N1CCCC1 ZINC000002296224 560559516 /nfs/dbraw/zinc/55/95/16/560559516.db2.gz LJETUCBLFSZCOY-UHFFFAOYSA-N 0 0 406.511 4.951 50 0 HJAARN Cc1cccc2sc(NC(=O)c3cccn(Cc4ccccc4Cl)c3=O)nc21 ZINC000005269946 560560419 /nfs/dbraw/zinc/56/04/19/560560419.db2.gz WYEPUKDMQRSBIT-UHFFFAOYSA-N 0 0 409.898 4.720 50 0 HJAARN CC(=O)c1ccc(NC(=O)c2cccn(Cc3ccc(Cl)cc3Cl)c2=O)cc1 ZINC000005270840 560560938 /nfs/dbraw/zinc/56/09/38/560560938.db2.gz BXKAZPTXWKWPFI-UHFFFAOYSA-N 0 0 415.276 4.658 50 0 HJAARN CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000005293872 560562197 /nfs/dbraw/zinc/56/21/97/560562197.db2.gz FTUJSOQFSHVHCT-KSSFIOAISA-N 0 0 406.429 4.568 50 0 HJAARN CCc1ccc(NC(=O)c2cc3cccnc3n(Cc3ccc(Cl)cc3)c2=O)cc1 ZINC000005305490 560563329 /nfs/dbraw/zinc/56/33/29/560563329.db2.gz SLWFICIPWACPRY-UHFFFAOYSA-N 0 0 417.896 4.913 50 0 HJAARN Cc1[nH]c2ccccc2c1[C@]1(O)C(=O)N(Cc2cccs2)c2ccc(Cl)cc21 ZINC000005324398 560564861 /nfs/dbraw/zinc/56/48/61/560564861.db2.gz LIBMMTIRGVZPNH-QFIPXVFZSA-N 0 0 408.910 4.974 50 0 HJAARN CSc1ccc(CN2C(=O)N[C@@](Cc3ccccc3)(c3ccccc3)C2=O)cc1 ZINC000005334937 560566883 /nfs/dbraw/zinc/56/68/83/560566883.db2.gz GHUFRWGULPYQFC-DEOSSOPVSA-N 0 0 402.519 4.599 50 0 HJAARN Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(C)c(C)c4)c(=O)c23)s1 ZINC000005351934 560569098 /nfs/dbraw/zinc/56/90/98/560569098.db2.gz GXUXUNUUDDWOGN-UHFFFAOYSA-N 0 0 409.536 4.750 50 0 HJAARN COc1ccc([C@H](Cc2ccccc2)N(C)C(=O)C(=O)c2c[nH]c3ccccc32)cc1 ZINC000005345945 560570181 /nfs/dbraw/zinc/57/01/81/560570181.db2.gz OEKFTVOFEBYOJQ-DEOSSOPVSA-N 0 0 412.489 4.802 50 0 HJAARN COc1cccc(C(=O)Nc2c(-c3ccccc3F)c(=O)c3ccccc3n2C)c1 ZINC000005346609 560570475 /nfs/dbraw/zinc/57/04/75/560570475.db2.gz ZNYZDCLUYVYTMK-UHFFFAOYSA-N 0 0 402.425 4.606 50 0 HJAARN COc1ccc(Cl)cc1C(=O)N1CCC(Cn2ccnc2-c2ccccc2)CC1 ZINC000062130211 560580389 /nfs/dbraw/zinc/58/03/89/560580389.db2.gz UJKQIHGMBUOMER-UHFFFAOYSA-N 0 0 409.917 4.765 50 0 HJAARN COc1ccc(OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)cc1 ZINC000005442497 560587781 /nfs/dbraw/zinc/58/77/81/560587781.db2.gz VQQZFGRORYUERL-HXUWFJFHSA-N 0 0 410.857 4.698 50 0 HJAARN Cc1ccc(-c2cc(C(=O)OCC(=O)NCc3ccccc3)c3ccccc3n2)cc1 ZINC000003217050 560589666 /nfs/dbraw/zinc/58/96/66/560589666.db2.gz AWAJCYNSNNAPIX-UHFFFAOYSA-N 0 0 410.473 4.683 50 0 HJAARN O=C(COC(=O)c1ccc(Br)o1)N(C1CCCCC1)C1CCCCC1 ZINC000003263974 560590962 /nfs/dbraw/zinc/59/09/62/560590962.db2.gz GCGPBZFNOKMSLO-UHFFFAOYSA-N 0 0 412.324 4.693 50 0 HJAARN O=C(/C=C/c1ccc(Br)o1)OCC(=O)Nc1c(Cl)cccc1Cl ZINC000003302069 560592861 /nfs/dbraw/zinc/59/28/61/560592861.db2.gz WYWFBUINLJEDHL-FNORWQNLSA-N 0 0 419.058 4.544 50 0 HJAARN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000003345975 560593855 /nfs/dbraw/zinc/59/38/55/560593855.db2.gz IOJCAXYRPDLEBN-HXUWFJFHSA-N 0 0 412.411 4.685 50 0 HJAARN COc1ccc2c(c1OC)C(=O)N1C[C@@H](c3ccc(C)o3)c3c4ccccc4[nH]c3[C@@H]21 ZINC000004088913 560600861 /nfs/dbraw/zinc/60/08/61/560600861.db2.gz ASWRFPZKDMGSKF-QMHKHESXSA-N 0 0 414.461 4.777 50 0 biogenic HJAARN CN(C)P(=NC(=O)COc1ccccc1)(N(C)C)C12CC3CC(CC(C3)C1)C2 ZINC000005525874 560604887 /nfs/dbraw/zinc/60/48/87/560604887.db2.gz LQKSYRMXTZHGQE-UHFFFAOYSA-N 0 0 403.507 4.715 50 0 HJAARN O=C(CSc1nnc2c3ccccc3[nH]c2n1)Nc1cc(Cl)cc(Cl)c1 ZINC000005528413 560605209 /nfs/dbraw/zinc/60/52/09/560605209.db2.gz FLLSCMFAICMZNM-UHFFFAOYSA-N 0 0 404.282 4.544 50 0 HJAARN O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000005094315 560623401 /nfs/dbraw/zinc/62/34/01/560623401.db2.gz LPIZXQNOHJSLLJ-UHFFFAOYSA-N 0 0 402.338 4.687 50 0 HJAARN CCOc1ccc(-c2cn3c(CC(=O)N[C@@H](C)c4ccccc4)csc3n2)cc1 ZINC000005147029 560624361 /nfs/dbraw/zinc/62/43/61/560624361.db2.gz LYEXZCCDJPBOJX-INIZCTEOSA-N 0 0 405.523 4.881 50 0 HJAARN C[C@@H](Oc1ccc(-c2nnco2)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000005208354 560625320 /nfs/dbraw/zinc/62/53/20/560625320.db2.gz JYCYCAJJVZNFGH-MRXNPFEDSA-N 0 0 401.422 4.935 50 0 HJAARN C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)NCCC1=CCCCC1 ZINC000005333182 560626014 /nfs/dbraw/zinc/62/60/14/560626014.db2.gz UXSPPHWGTRGJQM-OAHLLOKOSA-N 0 0 414.550 4.906 50 0 HJAARN CCC(=O)N(C)[C@H](c1nnnn1-c1c(C)cccc1C)c1ccc(Cl)cc1Cl ZINC000005427864 560626206 /nfs/dbraw/zinc/62/62/06/560626206.db2.gz NHRIJLXZFCYAST-IBGZPJMESA-N 0 0 418.328 4.544 50 0 HJAARN CCCCOc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000005597235 560628557 /nfs/dbraw/zinc/62/85/57/560628557.db2.gz JJPFCMDEIBEEPC-LJQANCHMSA-N 0 0 411.976 4.955 50 0 HJAARN O=C(c1ccc(Cl)cc1)N1CCCC[C@H](Sc2nc3ccccc3o2)C1=O ZINC000005628931 560634856 /nfs/dbraw/zinc/63/48/56/560634856.db2.gz SZOSQLMCGZEGRD-KRWDZBQOSA-N 0 0 400.887 4.795 50 0 HJAARN COc1ccc(OC)c(NC(=O)/C=C/c2cc(Cl)c(OC(C)C)c(OC)c2)c1 ZINC000007971502 560636007 /nfs/dbraw/zinc/63/60/07/560636007.db2.gz RFQSQUJECGDRFZ-RMKNXTFCSA-N 0 0 405.878 4.805 50 0 HJAARN CC[C@@H](C)c1ccc(C(=O)CN2C(=O)N[C@]3(CCCCc4ccccc43)C2=O)cc1 ZINC000008719097 560637828 /nfs/dbraw/zinc/63/78/28/560637828.db2.gz GMDWSPCAXLVAFK-NSYGIPOTSA-N 0 0 404.510 4.557 50 0 HJAARN Cc1nn(C(C)C)c(C)c1-c1cc(C(=O)N[C@H]2CCCc3c4ccccc4[nH]c32)[nH]n1 ZINC000409413807 560723229 /nfs/dbraw/zinc/72/32/29/560723229.db2.gz DRHKIIOSCYOBIL-IBGZPJMESA-N 0 0 416.529 4.760 50 0 HJAARN Cc1ccccc1-n1c(=O)c2ccccc2nc1SCC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000017721817 560724343 /nfs/dbraw/zinc/72/43/43/560724343.db2.gz GRRDDGOUJRTXMC-HDICACEKSA-N 0 0 421.566 4.576 50 0 HJAARN CCc1ccc(NC(=O)CSc2nnc(COc3ccc4c(c3)CCCC4)o2)cc1 ZINC000001166489 560727422 /nfs/dbraw/zinc/72/74/22/560727422.db2.gz LVXQAEDEVVEOTE-UHFFFAOYSA-N 0 0 423.538 4.821 50 0 HJAARN CCn1c(SCC(=O)N2[C@H](C)CCC[C@@H]2C)nnc1-c1ccc2c(c1)CCCC2 ZINC000017971412 560732869 /nfs/dbraw/zinc/73/28/69/560732869.db2.gz NPXHBJDMQDRETR-CALCHBBNSA-N 0 0 412.603 4.725 50 0 HJAARN Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1cccc(Cl)c1Cl ZINC000006501067 560743890 /nfs/dbraw/zinc/74/38/90/560743890.db2.gz VZYGUZYHTIZBPB-UHFFFAOYSA-N 0 0 403.718 4.847 50 0 HJAARN O=C(NC(c1ccccc1)c1ccccc1)N1CCC[C@@]2(C1)OC(=O)c1ccccc12 ZINC000206770601 560746425 /nfs/dbraw/zinc/74/64/25/560746425.db2.gz OENARMBWWMQPOS-SANMLTNESA-N 0 0 412.489 4.647 50 0 HJAARN Cc1csc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3F)n2CC(C)C)n1 ZINC000008389527 560754642 /nfs/dbraw/zinc/75/46/42/560754642.db2.gz LSPXEAMULQGAPP-ZDUSSCGKSA-N 0 0 419.551 4.624 50 0 HJAARN C[C@H](NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1)c1ccccc1 ZINC000009327996 560758612 /nfs/dbraw/zinc/75/86/12/560758612.db2.gz WHYWAMGJEUHDTL-NSHDSACASA-N 0 0 407.326 4.748 50 0 HJAARN CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C/c1cccc(Br)c1)C2=O ZINC000002439443 560759459 /nfs/dbraw/zinc/75/94/59/560759459.db2.gz SVLCVHNEBRFXTG-WOJGMQOQSA-N 0 0 416.271 4.906 50 0 HJAARN CCn1c(CC(=O)Nc2cccc(C)c2)nnc1SCc1ccccc1Cl ZINC000009582495 560759526 /nfs/dbraw/zinc/75/95/26/560759526.db2.gz LFLRKXSDDTXQEY-UHFFFAOYSA-N 0 0 400.935 4.733 50 0 HJAARN O=C(Nc1nc2ccc(Cl)cc2s1)c1cccc(I)c1 ZINC000009762296 560759842 /nfs/dbraw/zinc/75/98/42/560759842.db2.gz ASZAAOOUVNTWBV-UHFFFAOYSA-N 0 0 414.655 4.807 50 0 HJAARN CCOCCn1c2ccccc2sc1=NC(=O)C(c1ccccc1)c1ccccc1 ZINC000100873342 560761414 /nfs/dbraw/zinc/76/14/14/560761414.db2.gz JJATUJJSERFEET-QPLCGJKRSA-N 0 0 416.546 4.999 50 0 HJAARN Brc1ccc(C2=Nc3nnnn3[C@@H](c3cccc4ccccc43)C2)cc1 ZINC000101070163 560770772 /nfs/dbraw/zinc/77/07/72/560770772.db2.gz NRIVPVSKNITMBB-LJQANCHMSA-N 0 0 404.271 4.645 50 0 HJAARN CCOc1ccc(Oc2ccc(NC(=O)CNC(=O)c3ccc(C)cc3)cc2)cc1 ZINC000011506851 560772361 /nfs/dbraw/zinc/77/23/61/560772361.db2.gz PKPMZACEXDXRNJ-UHFFFAOYSA-N 0 0 404.466 4.555 50 0 HJAARN O=C(NCCc1cccc(Cl)c1)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000018106169 560775862 /nfs/dbraw/zinc/77/58/62/560775862.db2.gz UVSNTBDPUBNTJJ-UHFFFAOYSA-N 0 0 405.885 4.539 50 0 HJAARN Clc1ccc(C2=Nc3nnnn3[C@H](c3ccc(OCc4ccccc4)cc3)C2)cc1 ZINC000101153596 560786993 /nfs/dbraw/zinc/78/69/93/560786993.db2.gz SRHVSNYFNIHLKZ-QFIPXVFZSA-N 0 0 415.884 4.962 50 0 HJAARN Cc1ccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000101158101 560787134 /nfs/dbraw/zinc/78/71/34/560787134.db2.gz CVLPMAZXXKVYIN-VSKRKVRLSA-N 0 0 418.880 4.700 50 0 HJAARN Cc1ccc(NC(=O)CN2c3ncccc3N=C(c3ccccc3)CC2=O)c(Cl)c1 ZINC000101319503 560791629 /nfs/dbraw/zinc/79/16/29/560791629.db2.gz SPXWJZKTHCFTNR-UHFFFAOYSA-N 0 0 418.884 4.540 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)CN1c2ncccc2N=C(c2ccccc2)CC1=O ZINC000101321453 560791752 /nfs/dbraw/zinc/79/17/52/560791752.db2.gz ZWUTXXWNFANAGW-UHFFFAOYSA-N 0 0 418.884 4.540 50 0 HJAARN Cn1c(=O)c(C2=Nc3ccccc3S[C@H](c3ccc(F)cc3)C2)c([O-])[nH]c1=S ZINC000101495094 560796107 /nfs/dbraw/zinc/79/61/07/560796107.db2.gz UIBNIKKPNKSPLI-INIZCTEOSA-N 0 0 413.499 4.645 50 0 HJAARN CCN1c2ccc(C)cc2[C@@H](Cc2nc3ccccc3c(=O)n2-c2cccc(C)c2)C1=O ZINC000101470735 560796793 /nfs/dbraw/zinc/79/67/93/560796793.db2.gz CYQQYXWTPAAAOS-JOCHJYFZSA-N 0 0 423.516 4.695 50 0 HJAARN Cc1ccc(NCc2cc(=O)n3nc(-c4ccc(C(C)(C)C)cc4)nc3[nH]2)cc1C ZINC000101747862 560800234 /nfs/dbraw/zinc/80/02/34/560800234.db2.gz PDSSRHJQWOEWBY-UHFFFAOYSA-N 0 0 401.514 4.611 50 0 HJAARN Cc1c(Cl)cccc1NCc1cc(=O)n2nc(-c3ccc(C(C)(C)C)cc3)nc2[nH]1 ZINC000101747896 560800280 /nfs/dbraw/zinc/80/02/80/560800280.db2.gz LEACYDZEEYIQSU-UHFFFAOYSA-N 0 0 421.932 4.956 50 0 HJAARN CC(C)CC(=O)Nc1nc2n(n1)[C@H](c1ccccc1)CC(c1ccc(Cl)cc1)=N2 ZINC000101835254 560803317 /nfs/dbraw/zinc/80/33/17/560803317.db2.gz CUISINMJZZBRAV-IBGZPJMESA-N 0 0 407.905 4.972 50 0 HJAARN CCCC(=O)Nc1nc2n(n1)[C@@H](c1c(F)cccc1Cl)CC(c1ccccc1)=N2 ZINC000101837096 560803771 /nfs/dbraw/zinc/80/37/71/560803771.db2.gz DABMCLDTUNJQLK-QGZVFWFLSA-N 0 0 411.868 4.865 50 0 HJAARN COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3nc(C(F)(F)F)nn32)cc1O ZINC000102245313 560808863 /nfs/dbraw/zinc/80/88/63/560808863.db2.gz FHZFGGTYCHZUKJ-AWEZNQCLSA-N 0 0 422.794 4.721 50 0 HJAARN Cc1ccc(NC(=O)CN2c3ccccc3N=C(c3cccs3)CC2=O)cc1C ZINC000102300662 560809115 /nfs/dbraw/zinc/80/91/15/560809115.db2.gz MBUKLLGEMVMTQO-UHFFFAOYSA-N 0 0 403.507 4.861 50 0 HJAARN O=C(CN1c2ccccc2N=C(c2cccs2)CC1=O)NCc1ccc(Cl)cc1 ZINC000102300805 560809125 /nfs/dbraw/zinc/80/91/25/560809125.db2.gz GAZDZDCUFFHUMF-UHFFFAOYSA-N 0 0 423.925 4.575 50 0 HJAARN Cc1cccc(C)c1NC(=O)CN1c2ccccc2N=C(c2cccs2)CC1=O ZINC000102300656 560809130 /nfs/dbraw/zinc/80/91/30/560809130.db2.gz IDIYUFFXNBHFKV-UHFFFAOYSA-N 0 0 403.507 4.861 50 0 HJAARN C[C@@H]1CCC[C@H](NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)[C@H]1C ZINC000102389200 560810488 /nfs/dbraw/zinc/81/04/88/560810488.db2.gz OXJAJWMYNWPXBW-RYRKJORJSA-N 0 0 410.543 4.560 50 0 HJAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(F)c(F)c3)C(=O)C2)cc1 ZINC000102529475 560813004 /nfs/dbraw/zinc/81/30/04/560813004.db2.gz XBPAWXYGNBCBIE-UHFFFAOYSA-N 0 0 419.431 4.769 50 0 HJAARN Cc1cc(C)cc(NC(=O)CN2c3ccccc3N=C(c3ccc(F)cc3)CC2=O)c1 ZINC000102529698 560813073 /nfs/dbraw/zinc/81/30/73/560813073.db2.gz YSDYSRBCYPBVKH-UHFFFAOYSA-N 0 0 415.468 4.939 50 0 HJAARN Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(F)cc3)C(=O)C2)c(C)c1 ZINC000102531070 560813409 /nfs/dbraw/zinc/81/34/09/560813409.db2.gz NYSNXNQPJSCBIA-UHFFFAOYSA-N 0 0 415.468 4.939 50 0 HJAARN CC1(C)CC(=O)C(C(c2ccc(Cl)s2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000102702324 560820327 /nfs/dbraw/zinc/82/03/27/560820327.db2.gz VQUKXBMXFGZTNG-UHFFFAOYSA-N 0 0 408.947 4.634 50 0 HJAARN Cc1ccc([C@@H]2c3c(O)n(-c4ccc(C)c(C)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000102702858 560820361 /nfs/dbraw/zinc/82/03/61/560820361.db2.gz XDFUWSLMORUIPV-WXFUMESZSA-N 0 0 412.489 4.663 50 0 HJAARN COc1ccc(-c2csc(C3=C(N)N(c4ccc(NC(C)=O)cc4)CC3=O)n2)cc1 ZINC000102720647 560821422 /nfs/dbraw/zinc/82/14/22/560821422.db2.gz DWARHWRRGAKLHV-UHFFFAOYSA-N 0 0 420.494 4.544 50 0 HJAARN COc1ccccc1CNCc1cc(Br)cc(Br)c1OC ZINC000013720620 560827411 /nfs/dbraw/zinc/82/74/11/560827411.db2.gz GXOHCHQVQAAPSX-UHFFFAOYSA-N 0 0 415.125 4.519 50 0 HJAARN CC[C@H](C)[C@@H](NC(=O)c1ccccc1Cl)c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000102830660 560829718 /nfs/dbraw/zinc/82/97/18/560829718.db2.gz IOKDPLODLCELGJ-KPZWWZAWSA-N 0 0 413.861 4.636 50 0 HJAARN CC[C@@H](C)N(CCc1nc(-c2ccccc2)no1)C(=O)COc1ccc(Cl)cc1 ZINC000102847690 560830025 /nfs/dbraw/zinc/83/00/25/560830025.db2.gz IZPLZIJMBSDKSH-MRXNPFEDSA-N 0 0 413.905 4.639 50 0 HJAARN COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@H](c2ccccc2)C=C[C@H]3c2ccccc2)cc1 ZINC000103522871 560842960 /nfs/dbraw/zinc/84/29/60/560842960.db2.gz LXUKXGWYVAEBLK-ZFFYZDHPSA-N 0 0 409.485 4.938 50 0 HJAARN Cc1ccc(C)c(-c2nn(C[C@H](O)c3ccc(F)cc3F)c(=O)c3ccccc32)c1 ZINC000051288660 560846101 /nfs/dbraw/zinc/84/61/01/560846101.db2.gz NNSIAXLFGQXOPT-QFIPXVFZSA-N 0 0 406.432 4.692 50 0 HJAARN Cc1ccc(-c2cc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)c3ccccc3n2)cc1 ZINC000014784729 560848115 /nfs/dbraw/zinc/84/81/15/560848115.db2.gz QFVILGNTVSUIKA-UHFFFAOYSA-N 0 0 416.502 4.866 50 0 HJAARN CC(C)c1ccc(-c2ccc(=O)n(Cc3nc(-c4cccc(Cl)c4)no3)n2)cc1 ZINC000096322872 560848923 /nfs/dbraw/zinc/84/89/23/560848923.db2.gz WZSITLVOQOLRRK-UHFFFAOYSA-N 0 0 406.873 4.785 50 0 HJAARN O=C(OCc1nc(-c2ccc(OC(F)(F)F)cc2)no1)c1ccc2ccccc2n1 ZINC000051315310 560855990 /nfs/dbraw/zinc/85/59/90/560855990.db2.gz ZMSPIHFIXQSHIV-UHFFFAOYSA-N 0 0 415.327 4.540 50 0 HJAARN Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C)cc1 ZINC000004325615 560856561 /nfs/dbraw/zinc/85/65/61/560856561.db2.gz DVKZJVIHQCNFQE-UHFFFAOYSA-N 0 0 422.550 4.847 50 0 HJAARN Cc1ccc(NC(=O)NCCn2c(-c3ccccc3)nc3cccnc32)c(Cl)c1 ZINC000046913603 560878868 /nfs/dbraw/zinc/87/88/68/560878868.db2.gz JYAZDVNZPIVSAX-UHFFFAOYSA-N 0 0 405.889 4.882 50 0 HJAARN Cc1ccc(-c2cc(CNC(=O)NCc3cc(-c4ccc(C)cc4)no3)on2)cc1 ZINC000047082105 560880143 /nfs/dbraw/zinc/88/01/43/560880143.db2.gz WXBJUKGVBLCSSV-UHFFFAOYSA-N 0 0 402.454 4.613 50 0 HJAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CC[C@H](Nc4ccccc4)C3)cc12 ZINC000110891344 560886648 /nfs/dbraw/zinc/88/66/48/560886648.db2.gz CTHPXOWWRICYCN-SFHVURJKSA-N 0 0 420.513 4.861 50 0 HJAARN O=C(NCc1nc2ccccc2c(NCCCc2ccccc2)n1)[C@@H]1CC12CCCC2 ZINC000012099934 560889008 /nfs/dbraw/zinc/88/90/08/560889008.db2.gz VCLPQBSIIXDELJ-NRFANRHFSA-N 0 0 414.553 4.871 50 0 HJAARN O=C(CCCNC(=O)c1ccco1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012099073 560889050 /nfs/dbraw/zinc/88/90/50/560889050.db2.gz TXYQNBSEYKIWNW-UHFFFAOYSA-N 0 0 406.526 4.896 50 0 HJAARN CCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000012111532 560889360 /nfs/dbraw/zinc/88/93/60/560889360.db2.gz GQEKSJBUHAYGCZ-HNNXBMFYSA-N 0 0 409.486 4.839 50 0 HJAARN CC(C)c1cc(=O)[nH]c(-n2nc(C3CC3)cc2NC(=O)c2ccc(C(C)(C)C)cc2)n1 ZINC000012126016 560889651 /nfs/dbraw/zinc/88/96/51/560889651.db2.gz XZNBNLWHKMFXMS-UHFFFAOYSA-N 0 0 419.529 4.506 50 0 HJAARN COc1ccc(-c2c(C)c3cc(OS(=O)(=O)c4ccccc4)ccc3oc2=O)cc1 ZINC000012140310 560890076 /nfs/dbraw/zinc/89/00/76/560890076.db2.gz JHYYMOOYYSEHHG-UHFFFAOYSA-N 0 0 422.458 4.545 50 0 HJAARN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COc2cccc(F)c2)cc1 ZINC000005752459 560893991 /nfs/dbraw/zinc/89/39/91/560893991.db2.gz KAXNUZPTAZJRGA-QHCPKHFHSA-N 0 0 404.441 4.591 50 0 HJAARN Cc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(Cl)cc2Cl)cc1C ZINC000005753751 568421425 /nfs/dbraw/zinc/42/14/25/568421425.db2.gz SODNTYOVNNMMJL-SFHVURJKSA-N 0 0 404.297 4.877 50 0 HJAARN COc1ccc(C2C(=O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000045942631 568422571 /nfs/dbraw/zinc/42/25/71/568422571.db2.gz DJKHJSUNSJBAQW-OAQYLSRUSA-N 0 0 406.869 4.796 50 0 HJAARN CC(C)n1c(=O)oc2cc(NC(=O)Nc3ccc(Br)cc3F)ccc21 ZINC000046009972 568423275 /nfs/dbraw/zinc/42/32/75/568423275.db2.gz BTXIRJRNWHPZEY-UHFFFAOYSA-N 0 0 408.227 4.721 50 0 HJAARN Cc1ccc(OCC(=O)Nc2c(=O)oc3ccccc3c2NCc2ccccc2)cc1 ZINC000046004886 568423598 /nfs/dbraw/zinc/42/35/98/568423598.db2.gz LNHLOWXOXLSHQP-UHFFFAOYSA-N 0 0 414.461 4.731 50 0 HJAARN Cc1cccc(C(=O)N(Cc2nc3nc(C)cc(C)n3n2)c2ccc(Cl)cc2)c1 ZINC000046020671 568424123 /nfs/dbraw/zinc/42/41/23/568424123.db2.gz UCFARVSTDSZNRY-UHFFFAOYSA-N 0 0 405.889 4.550 50 0 HJAARN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000046043904 568424815 /nfs/dbraw/zinc/42/48/15/568424815.db2.gz FNWAOCIZQPGWKB-MRXNPFEDSA-N 0 0 420.431 4.513 50 0 HJAARN O=C(Cc1cccc2ccccc21)N1CCC[C@@H](C(=O)NCc2ccc(Cl)cc2)C1 ZINC000046045033 568425056 /nfs/dbraw/zinc/42/50/56/568425056.db2.gz PGFJVCJPAMSNMF-OAQYLSRUSA-N 0 0 420.940 4.591 50 0 HJAARN CCc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3cccc4ccccc43)C2)cc1 ZINC000046045077 568425097 /nfs/dbraw/zinc/42/50/97/568425097.db2.gz GKEBZNZXVIOYJD-JOCHJYFZSA-N 0 0 400.522 4.822 50 0 HJAARN Cc1ccc2c(=O)c(C(=O)c3ccccc3)cn(Cc3c(F)cccc3Cl)c2n1 ZINC000046053725 568425511 /nfs/dbraw/zinc/42/55/11/568425511.db2.gz AHCMQXGZFKESDC-UHFFFAOYSA-N 0 0 406.844 4.777 50 0 HJAARN Cc1ccc2c(=O)c(C(=O)c3ccc(F)cc3)cn(Cc3c(F)cccc3Cl)c2n1 ZINC000046053829 568425581 /nfs/dbraw/zinc/42/55/81/568425581.db2.gz MPGMFBANTADPOP-UHFFFAOYSA-N 0 0 424.834 4.916 50 0 HJAARN Cc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NC(C)(C)C)cc3c2)cc1 ZINC000046058579 568426499 /nfs/dbraw/zinc/42/64/99/568426499.db2.gz ODYNLNLRBDEVIC-UHFFFAOYSA-N 0 0 416.568 4.563 50 0 HJAARN O=C(Nc1cccc(F)c1)c1ccc(N2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000046079788 568427909 /nfs/dbraw/zinc/42/79/09/568427909.db2.gz ZKOZUHXZAVZZQO-UHFFFAOYSA-N 0 0 403.457 4.910 50 0 HJAARN COc1cccc(NC(=O)c2cccc(N3CCCN(Cc4ccccc4)C3=O)c2)c1 ZINC000046080026 568427998 /nfs/dbraw/zinc/42/79/98/568427998.db2.gz YXXNDGPKWROVPW-UHFFFAOYSA-N 0 0 415.493 4.780 50 0 HJAARN CCCCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)cc1 ZINC000046086996 568428216 /nfs/dbraw/zinc/42/82/16/568428216.db2.gz VSGTTWWJXPQFPX-UHFFFAOYSA-N 0 0 424.453 4.568 50 0 HJAARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)N(Cc1ccccn1)C1CC1 ZINC000048273265 568433998 /nfs/dbraw/zinc/43/39/98/568433998.db2.gz RUJJJDHQERESAZ-UHFFFAOYSA-N 0 0 404.436 4.897 50 0 HJAARN Cc1cc(-c2cc(C(=O)N[C@H](C)c3ccccn3)c3cnn(C(C)C)c3n2)c(C)o1 ZINC000048272717 568434045 /nfs/dbraw/zinc/43/40/45/568434045.db2.gz CLPRRBASBBHDTM-OAHLLOKOSA-N 0 0 403.486 4.775 50 0 HJAARN COc1ccc(Br)cc1COC(=O)c1cc(C2CC2)nc2onc(C)c21 ZINC000048252085 568434261 /nfs/dbraw/zinc/43/42/61/568434261.db2.gz HMXNLZQGPSKUDY-UHFFFAOYSA-N 0 0 417.259 4.537 50 0 HJAARN O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1cc(Cl)c2c(c1)OCCCO2 ZINC000048290608 568435241 /nfs/dbraw/zinc/43/52/41/568435241.db2.gz QKDGKYZMOKOTPT-UHFFFAOYSA-N 0 0 401.875 4.602 50 0 HJAARN CC(C)[C@@H](NC(=O)Nc1cc2c(cc1Br)OCCO2)c1cccs1 ZINC000048314689 568438048 /nfs/dbraw/zinc/43/80/48/568438048.db2.gz KQOCENVPJHGTNN-MRXNPFEDSA-N 0 0 411.321 4.801 50 0 HJAARN COc1cc(OC)c(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1Cl ZINC000051364577 568438261 /nfs/dbraw/zinc/43/82/61/568438261.db2.gz GOTVLSXXVFIWGO-OAHLLOKOSA-N 0 0 424.884 4.516 50 0 HJAARN CN(Cc1ccccc1)c1ccccc1NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000048326013 568438868 /nfs/dbraw/zinc/43/88/68/568438868.db2.gz TZOMGKYAOYNXHY-UHFFFAOYSA-N 0 0 423.557 4.909 50 0 HJAARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCOc1ccc(F)cc1Cl ZINC000048332857 568439306 /nfs/dbraw/zinc/43/93/06/568439306.db2.gz HJIUBRBKYBCROW-UHFFFAOYSA-N 0 0 415.896 4.709 50 0 HJAARN Cc1cc(F)c2c(c1)CCCN2C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1 ZINC000048332864 568439367 /nfs/dbraw/zinc/43/93/67/568439367.db2.gz IMKKUUVQLRZJEG-UHFFFAOYSA-N 0 0 402.775 4.717 50 0 HJAARN COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1C ZINC000048364154 568441726 /nfs/dbraw/zinc/44/17/26/568441726.db2.gz XNPXYHYRSZPTOK-KRWDZBQOSA-N 0 0 407.297 4.554 50 0 HJAARN COc1cc(C)ccc1Oc1ccc(NC(=O)c2csc(-c3ccccn3)n2)cn1 ZINC000048374623 568442482 /nfs/dbraw/zinc/44/24/82/568442482.db2.gz AFQFNTVTKPERKF-UHFFFAOYSA-N 0 0 418.478 4.962 50 0 HJAARN C[C@H](Cc1cc(C(=O)N(C)Cc2cc(-c3ccccc3)on2)on1)c1ccccc1 ZINC000014887786 568442690 /nfs/dbraw/zinc/44/26/90/568442690.db2.gz RQOSZQJZUNSKHZ-QGZVFWFLSA-N 0 0 401.466 4.948 50 0 HJAARN COc1ccc(OCC(=O)Nc2nc(CSCc3ccc(F)cc3)cs2)cc1 ZINC000012230223 568442760 /nfs/dbraw/zinc/44/27/60/568442760.db2.gz HVTDDDYYJNDJQH-UHFFFAOYSA-N 0 0 418.515 4.742 50 0 HJAARN CN(c1ccsc1C(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000048986852 568443959 /nfs/dbraw/zinc/44/39/59/568443959.db2.gz JYWXUEGIPQTHRN-UHFFFAOYSA-N 0 0 424.906 4.618 50 0 HJAARN Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)NCCC4=CCCCC4)C3)nn2)cc1C ZINC000048990662 568444295 /nfs/dbraw/zinc/44/42/95/568444295.db2.gz URKCESDHMAWBHP-QHCPKHFHSA-N 0 0 418.585 4.984 50 0 HJAARN O=C(CSc1cc(NCc2ccc(Cl)cc2)ncn1)Nc1ccc(F)cc1F ZINC000049006722 568444920 /nfs/dbraw/zinc/44/49/20/568444920.db2.gz AGPHAONSVHCQNK-UHFFFAOYSA-N 0 0 420.872 4.751 50 0 HJAARN CSc1nc2ccc3nc(NC(=O)c4cccc(N(C)C)c4)sc3c2s1 ZINC000049026009 568445599 /nfs/dbraw/zinc/44/55/99/568445599.db2.gz VSNRYZZJGBPTET-UHFFFAOYSA-N 0 0 400.554 4.946 50 0 HJAARN O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2)C1(c2cccs2)CCCC1 ZINC000049030366 568445730 /nfs/dbraw/zinc/44/57/30/568445730.db2.gz ZIKVEVRANMVMIO-GOSISDBHSA-N 0 0 424.566 4.976 50 0 HJAARN CCCCNC(=O)c1nnn(-c2cc(C(F)(F)F)ccc2Cl)c1-c1cccnc1 ZINC000049003683 568446524 /nfs/dbraw/zinc/44/65/24/568446524.db2.gz XFLQTXABZDUKSK-UHFFFAOYSA-N 0 0 423.826 4.531 50 0 HJAARN CC(=O)Nc1cccc(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc32)c1 ZINC000049004782 568446826 /nfs/dbraw/zinc/44/68/26/568446826.db2.gz NQVJIRIGRUBOTI-UHFFFAOYSA-N 0 0 417.513 4.656 50 0 HJAARN Cc1cccc(-c2noc(C3CCN(CC(=O)Nc4cccc(Cl)c4)CC3)n2)c1 ZINC000049403233 568448205 /nfs/dbraw/zinc/44/82/05/568448205.db2.gz MWAIMKLTSOUMPE-UHFFFAOYSA-N 0 0 410.905 4.517 50 0 HJAARN Cc1ccccc1CNC(=O)CSc1ccc(-c2nc(-c3ccccc3)no2)cn1 ZINC000049405653 568448716 /nfs/dbraw/zinc/44/87/16/568448716.db2.gz NGXFLLFRFQMSCE-UHFFFAOYSA-N 0 0 416.506 4.516 50 0 HJAARN Cc1ccc(NC(=O)c2cn(Cc3ccc(NC(=O)C(C)C)cc3)cn2)c(Cl)c1 ZINC000049422016 568450846 /nfs/dbraw/zinc/45/08/46/568450846.db2.gz MIRPRRQENYABNL-UHFFFAOYSA-N 0 0 410.905 4.740 50 0 HJAARN Cc1cccc2sc(OC3CCN(C(=O)CSCc4ccccc4)CC3)nc21 ZINC000049431687 568450857 /nfs/dbraw/zinc/45/08/57/568450857.db2.gz DTJMJLJMVIAMHS-UHFFFAOYSA-N 0 0 412.580 4.908 50 0 HJAARN O=C(c1ccc(F)cc1Cl)N1CCC(Oc2nc3c(cccc3F)s2)CC1 ZINC000049432489 568450999 /nfs/dbraw/zinc/45/09/99/568450999.db2.gz KFMABPWOYQXLLB-UHFFFAOYSA-N 0 0 408.857 4.912 50 0 HJAARN Cn1c(=O)sc2c1N(c1ccc(Cl)cc1)C(=O)C[C@@H]2c1ccccc1Cl ZINC000049543896 568451192 /nfs/dbraw/zinc/45/11/92/568451192.db2.gz SNZZATSADYQGLB-CQSZACIVSA-N 0 0 405.306 4.954 50 0 HJAARN COc1cc(C=Cc2nc(=O)c3c4c(sc3[nH]2)CCCC4)ccc1OC(F)F ZINC000005827491 568454185 /nfs/dbraw/zinc/45/41/85/568454185.db2.gz NKVNYBUSSGACPT-VQHVLOKHSA-N 0 0 404.438 4.644 50 0 HJAARN CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2oc1-c1ccccc1 ZINC000000623889 568455714 /nfs/dbraw/zinc/45/57/14/568455714.db2.gz MTBVZESNBUQNOO-UHFFFAOYSA-N 0 0 403.228 4.964 50 0 HJAARN O=C(Cc1cc(Cl)c2c(c1)OCCO2)N(Cc1ccco1)Cc1cccs1 ZINC000024695470 568456791 /nfs/dbraw/zinc/45/67/91/568456791.db2.gz XWXWFIZUIMIXOT-UHFFFAOYSA-N 0 0 403.887 4.537 50 0 HJAARN Cc1nc2cc(C(=O)OCC(=O)Nc3cc(C)ccc3C)ccc2n1-c1ccccc1 ZINC000006649147 568456890 /nfs/dbraw/zinc/45/68/90/568456890.db2.gz VVEPVLZXMRNQTJ-UHFFFAOYSA-N 0 0 413.477 4.746 50 0 HJAARN Cc1nc2ccccc2n1C[C@@H](O)COc1ccc2ccccc2c1Br ZINC000000644761 568457233 /nfs/dbraw/zinc/45/72/33/568457233.db2.gz STTCLPGRESUADY-MRXNPFEDSA-N 0 0 411.299 4.700 50 0 HJAARN COc1ccc(NC(=O)c2nc(SCc3ccccc3F)ncc2Cl)cc1 ZINC000006748043 568458110 /nfs/dbraw/zinc/45/81/10/568458110.db2.gz FKWWKFXLWBQASU-UHFFFAOYSA-N 0 0 403.866 4.822 50 0 HJAARN COc1ccc(OCc2cccc(C(=O)Nc3ccn(Cc4ccccc4)n3)c2)cc1 ZINC000000653027 568459344 /nfs/dbraw/zinc/45/93/44/568459344.db2.gz OIYJRLNNQDJKJD-UHFFFAOYSA-N 0 0 413.477 4.771 50 0 HJAARN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000000654006 568459834 /nfs/dbraw/zinc/45/98/34/568459834.db2.gz CNJAHCBFFLHCBU-QGZVFWFLSA-N 0 0 408.523 4.655 50 0 HJAARN Cc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1Br ZINC000000682353 568461683 /nfs/dbraw/zinc/46/16/83/568461683.db2.gz WPAKRDZARZWKMY-LLVKDONJSA-N 0 0 413.109 4.926 50 0 HJAARN CC(C)OC(=O)c1c(NC(=O)c2cccc(Br)c2)sc2c1CCC2 ZINC000000695946 568462314 /nfs/dbraw/zinc/46/23/14/568462314.db2.gz SGAWMSCUAMVDBF-UHFFFAOYSA-N 0 0 408.317 4.817 50 0 HJAARN O=C(Nc1ccc(-c2ccco2)cc1)[C@H]1CCCN(Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000012300403 568464500 /nfs/dbraw/zinc/46/45/00/568464500.db2.gz WOBCKBPSHZXGRK-KRWDZBQOSA-N 0 0 418.472 4.813 50 0 HJAARN CCn1c(C)c(C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)c2cc(OC)ccc21 ZINC000012323217 568471291 /nfs/dbraw/zinc/47/12/91/568471291.db2.gz YFFSGUCQLBYEMG-UHFFFAOYSA-N 0 0 405.473 4.797 50 0 HJAARN COc1ccc([C@H]2CC(c3ccccc3)=NN2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000754405 568471916 /nfs/dbraw/zinc/47/19/16/568471916.db2.gz RZUPXLYWGFALLA-HSZRJFAPSA-N 0 0 406.507 4.544 50 0 HJAARN CCOc1ccc(NC(=O)[C@H](C)Sc2nc3ccc(NC(C)=O)cc3s2)cc1 ZINC000000780267 568474693 /nfs/dbraw/zinc/47/46/93/568474693.db2.gz SJTGNTUBRSRUEB-LBPRGKRZSA-N 0 0 415.540 4.773 50 0 HJAARN Cc1cc2ccccc2n2c(SCC(=O)Nc3ccc(F)c(Cl)c3)nnc12 ZINC000000783265 568475816 /nfs/dbraw/zinc/47/58/16/568475816.db2.gz VUPXLYUEXSHPAK-UHFFFAOYSA-N 0 0 400.866 4.714 50 0 HJAARN CCOC(=O)c1sc2[nH]c(C(Cl)=Cc3cc(C)c(O)c(C)c3)nc(=O)c2c1C ZINC000007488678 568480843 /nfs/dbraw/zinc/48/08/43/568480843.db2.gz SSCAWIDYWHPNGU-JYRVWZFOSA-N 0 0 418.902 4.529 50 0 HJAARN Cc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc(Cl)cc3)n3ccccc23)cc1 ZINC000012342005 568483325 /nfs/dbraw/zinc/48/33/25/568483325.db2.gz PYQJQVRYQDUKLN-UHFFFAOYSA-N 0 0 403.869 4.967 50 0 HJAARN COc1ccc(Cl)cc1NC(=O)c1c(N)c(C(=O)c2ccccc2)n2ccccc12 ZINC000012342143 568483924 /nfs/dbraw/zinc/48/39/24/568483924.db2.gz OHHQMZUSYBDTCS-UHFFFAOYSA-N 0 0 419.868 4.667 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)c1c(N)c(C(=O)c2ccccc2)n2ccccc12 ZINC000012342160 568483971 /nfs/dbraw/zinc/48/39/71/568483971.db2.gz RSVLQGFNGIXBFZ-UHFFFAOYSA-N 0 0 403.869 4.967 50 0 HJAARN CCN(Cc1ccccc1)C(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1C1CC1 ZINC000008039396 568488965 /nfs/dbraw/zinc/48/89/65/568488965.db2.gz VWPYSWWERRSBQY-OAHLLOKOSA-N 0 0 412.584 4.871 50 0 HJAARN O=C(NCC[C@H](O)c1cc2ccccc2o1)NC(c1ccccc1)c1ccccc1 ZINC000390827073 568490663 /nfs/dbraw/zinc/49/06/63/568490663.db2.gz DTAIDQXGDYEIET-NRFANRHFSA-N 0 0 400.478 4.945 50 0 HJAARN COc1cc(/C=C/C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc(OC)c1OC ZINC000008128415 568490987 /nfs/dbraw/zinc/49/09/87/568490987.db2.gz GRXUKVBEASJSLV-VNDWYCCKSA-N 0 0 412.511 4.555 50 0 HJAARN Cc1noc(C)c1COc1cccc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)c1 ZINC000008328043 568497184 /nfs/dbraw/zinc/49/71/84/568497184.db2.gz RAFNROBEPVDQRY-HXUWFJFHSA-N 0 0 412.486 4.976 50 0 HJAARN Cc1cccc(C)c1NC(=O)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 ZINC000033088568 568510806 /nfs/dbraw/zinc/51/08/06/568510806.db2.gz BSJYADDJKXUMHZ-UHFFFAOYSA-N 0 0 417.416 4.741 50 0 HJAARN CC(C)NC(=O)N1CCC[C@@H](c2cccc(C(=O)NCc3ccc(Cl)cc3)c2)C1 ZINC000033035025 568510820 /nfs/dbraw/zinc/51/08/20/568510820.db2.gz OLEMAVOPYJOEED-HXUWFJFHSA-N 0 0 413.949 4.567 50 0 HJAARN COc1ccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CC3)c(OC)c1 ZINC000033128749 568511234 /nfs/dbraw/zinc/51/12/34/568511234.db2.gz ZWPOPSYPKPBYOZ-UHFFFAOYSA-N 0 0 417.465 4.551 50 0 HJAARN COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)cc1 ZINC000033271484 568512300 /nfs/dbraw/zinc/51/23/00/568512300.db2.gz IWWIADMVVGZANA-INIZCTEOSA-N 0 0 404.495 4.582 50 0 HJAARN COc1ccc(NC(=O)COc2ccccc2-c2noc(-c3ccccc3F)n2)cc1 ZINC000033325053 568513880 /nfs/dbraw/zinc/51/38/80/568513880.db2.gz DIUWSSCOVPUUFR-UHFFFAOYSA-N 0 0 419.412 4.569 50 0 HJAARN O=C1N(Cc2c(Cl)cccc2Cl)c2ccccc2[C@@]1(O)[C@H]1CCCCCC1=O ZINC000012377246 568551043 /nfs/dbraw/zinc/55/10/43/568551043.db2.gz OEHWBUQTATWGLB-KSFYIVLOSA-N 0 0 418.320 4.877 50 0 HJAARN CN(Cc1ccc2ccccc2c1)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000051865183 568560586 /nfs/dbraw/zinc/56/05/86/568560586.db2.gz PZZUNRSSBLTDAY-QFIPXVFZSA-N 0 0 401.510 4.742 50 0 HJAARN CC(=O)Nc1cc(-c2cccc(Br)c2)nn1Cc1ccc(Cl)cc1 ZINC000000840534 568579125 /nfs/dbraw/zinc/57/91/25/568579125.db2.gz RKICRLAEUFMSCI-UHFFFAOYSA-N 0 0 404.695 4.973 50 0 HJAARN O=S(=O)(c1nc(-c2ccccc2F)oc1N1CCCCC1)c1ccc(Cl)cc1 ZINC000020035732 568586477 /nfs/dbraw/zinc/58/64/77/568586477.db2.gz UGGGQHDXQAWPIW-UHFFFAOYSA-N 0 0 420.893 4.957 50 0 HJAARN Cc1cc(NC(=S)N(CCCN2CCOCC2)Cc2cccs2)ccc1Cl ZINC000020107673 568588094 /nfs/dbraw/zinc/58/80/94/568588094.db2.gz CBXIECHYWFEJEB-UHFFFAOYSA-N 0 0 424.035 4.631 50 0 HJAARN CC1(C)[C@H](C(=O)Nc2c(-c3ccccc3)nc3ncccn32)[C@H]1C=C(Cl)Cl ZINC000606422323 568590535 /nfs/dbraw/zinc/59/05/35/568590535.db2.gz NNFNPSILGQTUIO-HIFRSBDPSA-N 0 0 401.297 4.926 50 0 HJAARN CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCCC[C@@H]2CSC(C)(C)C)CC1 ZINC000390829762 568591949 /nfs/dbraw/zinc/59/19/49/568591949.db2.gz GKIJRXDKQQKUKC-GOSISDBHSA-N 0 0 412.640 4.936 50 0 HJAARN CN1C(=O)/C(=C/c2ccccc2Cl)Sc2ccc(C(=O)NCc3ccco3)cc21 ZINC000020180327 568592973 /nfs/dbraw/zinc/59/29/73/568592973.db2.gz ZNESFBIDTSPDLU-NDENLUEZSA-N 0 0 424.909 4.973 50 0 HJAARN COc1ccc(CNC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(C)c(C)c2)cc1 ZINC000020213926 568594372 /nfs/dbraw/zinc/59/43/72/568594372.db2.gz VKMNCLQNEYESQS-UHFFFAOYSA-N 0 0 414.509 4.593 50 0 HJAARN O=C(OCc1cncc(Br)c1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000095350046 568600738 /nfs/dbraw/zinc/60/07/38/568600738.db2.gz WFCLTFQLIGDJDS-ZIAGYGMSSA-N 0 0 400.194 4.710 50 0 HJAARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2 ZINC000020419000 568606502 /nfs/dbraw/zinc/60/65/02/568606502.db2.gz ZRXYJWZKOXRPBE-UHFFFAOYSA-N 0 0 423.437 4.974 50 0 HJAARN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NCCc1csc(-c2ccccc2)n1 ZINC000095409571 568606727 /nfs/dbraw/zinc/60/67/27/568606727.db2.gz ZUWUPOBYAJZEJG-CYBMUJFWSA-N 0 0 404.894 4.729 50 0 HJAARN CCn1cc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)N2CCCCC2)c2ccccc21 ZINC000020438983 568607418 /nfs/dbraw/zinc/60/74/18/568607418.db2.gz UYDCSWMSWPCQON-QJOMJCCJSA-N 0 0 415.537 4.753 50 0 HJAARN CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000020463316 568609902 /nfs/dbraw/zinc/60/99/02/568609902.db2.gz GSHFAJCGVDWBMO-GOSISDBHSA-N 0 0 401.388 4.907 50 0 HJAARN C=C1C(Nc2ccc(Br)c(C)c2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020465679 568610055 /nfs/dbraw/zinc/61/00/55/568610055.db2.gz QETVTXCVTNXBEX-UHFFFAOYSA-N 0 0 419.344 4.959 50 0 HJAARN Cc1ncc(C(=O)N2CCC(OCc3ccccc3)CC2)c(Br)c1Cl ZINC000095444719 568611350 /nfs/dbraw/zinc/61/13/50/568611350.db2.gz QKIXAQIBARJNIH-UHFFFAOYSA-N 0 0 423.738 4.627 50 0 HJAARN CCSc1ccc(Cl)cc1NC(=O)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000095460943 568620494 /nfs/dbraw/zinc/62/04/94/568620494.db2.gz AOULGZJVRBEMBA-CYBMUJFWSA-N 0 0 405.955 4.790 50 0 HJAARN CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1ccccc1N(C)c1ccccc1 ZINC000040119830 568620549 /nfs/dbraw/zinc/62/05/49/568620549.db2.gz LZZKRCPAYGSEQS-UHFFFAOYSA-N 0 0 413.521 4.619 50 0 HJAARN CC(C)(C)c1csc(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)n1 ZINC000040140650 568622445 /nfs/dbraw/zinc/62/24/45/568622445.db2.gz FXOFMYXHFFXTOV-UHFFFAOYSA-N 0 0 414.552 4.667 50 0 HJAARN Cc1cc(NC(=O)CSc2ccc(-c3sc(-c4ccccc4)nc3C)nn2)no1 ZINC000020515759 568623086 /nfs/dbraw/zinc/62/30/86/568623086.db2.gz RBZBQWNFASPRCM-UHFFFAOYSA-N 0 0 423.523 4.603 50 0 HJAARN COc1cccc(-n2cnc3c2[C@@H](c2ccc(O)c(Cl)c2)SCC(=O)N3)c1 ZINC000095473732 568628838 /nfs/dbraw/zinc/62/88/38/568628838.db2.gz LPKKINZJQZZUAU-GOSISDBHSA-N 0 0 401.875 4.664 50 0 HJAARN Cc1ccccc1Cc1c(C)nc2c(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)cnn2c1C ZINC000020678042 568640105 /nfs/dbraw/zinc/64/01/05/568640105.db2.gz VXSFXBRUEVXBSD-XSSDXNQZSA-N 0 0 404.558 4.800 50 0 HJAARN Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cc(F)ccc1F)SCC(=O)N2 ZINC000020892030 568647864 /nfs/dbraw/zinc/64/78/64/568647864.db2.gz SYWIODMLVHCSJX-SFHVURJKSA-N 0 0 405.857 4.887 50 0 HJAARN CCc1ccc(N2C(=O)c3cc4ccccc4n3C[C@@]2(C)C(=O)NC2CCCC2)cc1 ZINC000020903041 568650423 /nfs/dbraw/zinc/65/04/23/568650423.db2.gz FXHINFRWGQHHJO-SANMLTNESA-N 0 0 415.537 4.682 50 0 HJAARN Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1NC(=O)C1=C(C)OCCS1 ZINC000020919401 568650871 /nfs/dbraw/zinc/65/08/71/568650871.db2.gz HHIBYYQHBFBQOL-FQEVSTJZSA-N 0 0 422.550 4.736 50 0 HJAARN Cc1cc(NS(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)ccc1Br ZINC000020930146 568651534 /nfs/dbraw/zinc/65/15/34/568651534.db2.gz JFPRLCHZFDQFAM-UHFFFAOYSA-N 0 0 419.344 4.918 50 0 HJAARN Cc1nc2cccnc2n1-c1cccc(C(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000020934314 568652063 /nfs/dbraw/zinc/65/20/63/568652063.db2.gz HCCJAVAAUHKSQJ-UHFFFAOYSA-N 0 0 410.521 4.824 50 0 HJAARN CC(C)(NC(=O)c1ccccc1)c1nc(-c2ccc(Oc3ccc(F)cc3)nc2)no1 ZINC000225570356 568652317 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CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccc(F)cc2)C12CCCC2 ZINC000096344611 568737455 /nfs/dbraw/zinc/73/74/55/568737455.db2.gz IIRRUWVZQDVWQV-JOCHJYFZSA-N 0 0 408.517 4.794 50 0 HJAARN CCc1ccc(C(=O)N(C)CCc2noc(-c3[nH]c4ccc(C)cc4c3C)n2)cc1 ZINC000096349707 568738357 /nfs/dbraw/zinc/73/83/57/568738357.db2.gz AWCFXMVHPDUOJH-UHFFFAOYSA-N 0 0 402.498 4.712 50 0 HJAARN Cc1nn(-c2ccc(Cl)cc2)c(C)c1S(=O)(=O)Nc1ccc(Cl)cc1F ZINC000096357191 568738644 /nfs/dbraw/zinc/73/86/44/568738644.db2.gz RRWFUNLUQMENNG-UHFFFAOYSA-N 0 0 414.289 4.736 50 0 HJAARN Cc1sc2ncnc(SCC(=O)Nc3ccccc3Br)c2c1C ZINC000000888551 568739787 /nfs/dbraw/zinc/73/97/87/568739787.db2.gz MHOMRYFKSNEMHP-UHFFFAOYSA-N 0 0 408.346 4.801 50 0 HJAARN Cc1cccc(-n2c(=O)c3ccc[nH]c-3c2CC(=O)NCc2ccc(F)cc2Cl)c1 ZINC000096387038 568743939 /nfs/dbraw/zinc/74/39/39/568743939.db2.gz DSLLIRZTDOMIEW-HXUWFJFHSA-N 0 0 423.875 4.591 50 0 HJAARN O=S(=O)(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)c1cccc(Cl)c1 ZINC000021711482 568748306 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Cc1nc(Nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)cc(N(C)C)n1 ZINC000021794089 568753433 /nfs/dbraw/zinc/75/34/33/568753433.db2.gz CLKSQSPTOKEQOS-UHFFFAOYSA-N 0 0 415.419 4.866 50 0 HJAARN Cc1ccc(N2C(=O)c3cc4ccccc4n3C[C@]2(C)C(=O)NC2CCCC2)c(C)c1 ZINC000021856935 568754915 /nfs/dbraw/zinc/75/49/15/568754915.db2.gz KZNDCIGFMPXXJG-AREMUKBSSA-N 0 0 415.537 4.736 50 0 HJAARN COc1ccc2c(C)c(CCC(=O)Nc3ccc(Cl)c(Cl)c3)c(=O)oc2c1 ZINC000012460005 568756612 /nfs/dbraw/zinc/75/66/12/568756612.db2.gz QIEOZYYIZPCTEC-UHFFFAOYSA-N 0 0 406.265 4.988 50 0 HJAARN O=c1[nH]c2cc(-c3noc(COc4ccc(Cl)cc4)n3)ccc2n1C1CCCC1 ZINC000021884797 568758297 /nfs/dbraw/zinc/75/82/97/568758297.db2.gz RMCBGPYNQNAGGR-UHFFFAOYSA-N 0 0 410.861 4.727 50 0 HJAARN CCn1c(SCC(=O)N2CCC(Cc3ccccc3)CC2)nnc1-c1ccccc1 ZINC000000963159 568758453 /nfs/dbraw/zinc/75/84/53/568758453.db2.gz MMEZFYNCWIRBDJ-UHFFFAOYSA-N 0 0 420.582 4.538 50 0 HJAARN COc1cc(CNc2nc3ccccc3n2Cc2ccccc2)cc(OC)c1OC ZINC000000975739 568759567 /nfs/dbraw/zinc/75/95/67/568759567.db2.gz LYCRDNRHOCJWEI-UHFFFAOYSA-N 0 0 403.482 4.723 50 0 HJAARN COc1ccc([C@@H]2c3cccn3-c3ccccc3CN2C(=O)NC(C)C)cc1OC ZINC000021892698 568759623 /nfs/dbraw/zinc/75/96/23/568759623.db2.gz LRGFTEABINCXJH-HSZRJFAPSA-N 0 0 405.498 4.518 50 0 HJAARN CC(C)OC(=O)CSc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000000976307 568759725 /nfs/dbraw/zinc/75/97/25/568759725.db2.gz WQCFPSRQLZQOBC-UHFFFAOYSA-N 0 0 416.934 4.577 50 0 HJAARN CCOCCCNC(=O)N1Cc2ccccc2-n2cccc2[C@@H]1c1ccccc1C ZINC000021894311 568759907 /nfs/dbraw/zinc/75/99/07/568759907.db2.gz VYVLUBZPFZANPG-DEOSSOPVSA-N 0 0 403.526 4.827 50 0 HJAARN O=C(Nc1nc(-c2ccc(F)cc2Cl)cs1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000021898418 568760134 /nfs/dbraw/zinc/76/01/34/568760134.db2.gz RHGHFTOBRHYHEV-CYBMUJFWSA-N 0 0 401.850 4.667 50 0 HJAARN Cc1cc(C)nc(SCc2nc3ccccc3c(=O)n2-c2ccccc2Cl)n1 ZINC000001005486 568762370 /nfs/dbraw/zinc/76/23/70/568762370.db2.gz XJKYUVJBHHMYHK-UHFFFAOYSA-N 0 0 408.914 4.738 50 0 HJAARN CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c(OCC)c1 ZINC000001011120 568762954 /nfs/dbraw/zinc/76/29/54/568762954.db2.gz ASRDWXSCWMVHQX-YBFXNURJSA-N 0 0 401.459 4.860 50 0 HJAARN CN(C)c1ccc(CCC(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)cc1 ZINC000021973593 568764082 /nfs/dbraw/zinc/76/40/82/568764082.db2.gz SDEHGGXDKHORFF-IBGZPJMESA-N 0 0 409.555 4.507 50 0 HJAARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)Nc1cccc(S(=O)(=O)C(F)F)c1 ZINC000334163400 568764135 /nfs/dbraw/zinc/76/41/35/568764135.db2.gz ZWIQVMWVCCBMEZ-UHFFFAOYSA-N 0 0 413.829 4.952 50 0 HJAARN O=C(c1cccs1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc2c(c1)OCO2 ZINC000001084940 568768026 /nfs/dbraw/zinc/76/80/26/568768026.db2.gz LCWFYSLKYMSEDJ-QFIPXVFZSA-N 0 0 402.475 4.746 50 0 HJAARN CCN(CC)C(=O)Oc1c(Br)cc(Br)c2ccc(C)nc21 ZINC000001073551 568768611 /nfs/dbraw/zinc/76/86/11/568768611.db2.gz YODQROGCYMXMFV-UHFFFAOYSA-N 0 0 416.113 4.909 50 0 HJAARN C[C@@H](c1ccccc1)N(C)C(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000097159999 568769032 /nfs/dbraw/zinc/76/90/32/568769032.db2.gz IXGVCEDPHZCVNV-HNNXBMFYSA-N 0 0 409.873 4.685 50 0 HJAARN COc1ccc2ncc(S(=O)(=O)c3ccccc3)c(NCc3ccc(F)cc3)c2c1 ZINC000022574216 568769842 /nfs/dbraw/zinc/76/98/42/568769842.db2.gz NZICFAZXTWNGTN-UHFFFAOYSA-N 0 0 422.481 4.827 50 0 HJAARN COc1ccc(CNc2c3cc(F)ccc3ncc2S(=O)(=O)c2ccccc2)cc1 ZINC000022574237 568769933 /nfs/dbraw/zinc/76/99/33/568769933.db2.gz DSIGCUAMLGVTKL-UHFFFAOYSA-N 0 0 422.481 4.827 50 0 HJAARN CCn1c(=S)n(CN2CCc3sccc3[C@H]2C)nc1-c1ccc(OC)cc1 ZINC000052583959 568771036 /nfs/dbraw/zinc/77/10/36/568771036.db2.gz MLMQDKQOQROCSM-CQSZACIVSA-N 0 0 400.573 4.748 50 0 HJAARN Cc1cc2cc(NC(=O)c3ccc(CS(=O)(=O)c4ccccc4)cc3)ccc2[nH]1 ZINC000052589195 568771110 /nfs/dbraw/zinc/77/11/10/568771110.db2.gz TXJCCNCLQKOVGI-UHFFFAOYSA-N 0 0 404.491 4.703 50 0 HJAARN COc1ccccc1Oc1coc2cc(OC(=O)c3ccccc3F)ccc2c1=O ZINC000001105778 568772082 /nfs/dbraw/zinc/77/20/82/568772082.db2.gz CEBFOVGUZUZRBQ-UHFFFAOYSA-N 0 0 406.365 4.952 50 0 HJAARN O=C(Nc1ccc(F)cc1Cl)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000002466570 568772764 /nfs/dbraw/zinc/77/27/64/568772764.db2.gz OUWKWZBNPWQLBG-YADHBBJMSA-N 0 0 420.871 4.955 50 0 HJAARN O=C(Nc1ccccc1OC(F)F)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 ZINC000001123753 568772973 /nfs/dbraw/zinc/77/29/73/568772973.db2.gz DABPYXOEKPAXSR-INIZCTEOSA-N 0 0 424.709 4.750 50 0 HJAARN Cc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)c2ccccn2)CCCC1 ZINC000001120680 568772976 /nfs/dbraw/zinc/77/29/76/568772976.db2.gz VPKCSKONNBXRGY-UHFFFAOYSA-N 0 0 417.509 4.885 50 0 HJAARN CCCc1cc2c(cc1OC(=O)CC)oc(C)c(-c1ccc3c(c1)OCCO3)c2=O ZINC000001127525 568773017 /nfs/dbraw/zinc/77/30/17/568773017.db2.gz UOWUURVSCYZGPG-UHFFFAOYSA-N 0 0 408.450 4.808 50 0 biogenic HJAARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)occ(-c1ccc(Br)cc1)c2=O ZINC000001126514 568773070 /nfs/dbraw/zinc/77/30/70/568773070.db2.gz IHDJBMCBSWNLDE-LBPRGKRZSA-N 0 0 417.255 4.553 50 0 HJAARN C[C@@H]1C[C@H](C)CN(C(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2c[nH]c3ccccc32)C1 ZINC000002469349 568773167 /nfs/dbraw/zinc/77/31/67/568773167.db2.gz RIWFNDWJYRDXTG-ZOQAYDIASA-N 0 0 415.537 4.583 50 0 HJAARN Nc1nc2n(n1)[C@@H](c1ccc(OCc3ccccc3)cc1)C[C@@H](c1ccc(F)cc1)N2 ZINC000002472287 568773798 /nfs/dbraw/zinc/77/37/98/568773798.db2.gz CZOIFPLNVOOPHN-FCHUYYIVSA-N 0 0 415.472 4.725 50 0 HJAARN O=C(Nc1c2c(nn1-c1ccccc1)CSC2)c1cccc(Br)c1 ZINC000002474930 568773819 /nfs/dbraw/zinc/77/38/19/568773819.db2.gz ZUGUVCNNWUPOAA-UHFFFAOYSA-N 0 0 400.301 4.634 50 0 HJAARN Cc1cc(C)n(-c2ccc(CCC(=O)NCc3ccc(OC(F)(F)F)cc3)cc2)n1 ZINC000225605149 568776036 /nfs/dbraw/zinc/77/60/36/568776036.db2.gz IEVSIMGGPQXGGQ-UHFFFAOYSA-N 0 0 417.431 4.637 50 0 HJAARN COc1cccc(NC(=O)Nc2cc3nc(-c4ccccc4)oc3nc2C)c1OC ZINC000225626714 568776948 /nfs/dbraw/zinc/77/69/48/568776948.db2.gz BYZRLIHCDIIPPZ-UHFFFAOYSA-N 0 0 404.426 4.859 50 0 HJAARN O=C(CCc1cccc(Oc2ccc(F)cc2)c1)NCCSC1CCOCC1 ZINC000225679866 568778711 /nfs/dbraw/zinc/77/87/11/568778711.db2.gz RZSHYJNJIFJLSQ-UHFFFAOYSA-N 0 0 403.519 4.579 50 0 HJAARN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000055720595 568782476 /nfs/dbraw/zinc/78/24/76/568782476.db2.gz FOFBQRHWVKVULQ-UHFFFAOYSA-N 0 0 404.505 4.606 50 0 HJAARN Cc1ccc(Cn2cc(Br)c(NC(=O)[C@@H]3C[C@H]3c3ccccc3)n2)cc1 ZINC000028230915 568783180 /nfs/dbraw/zinc/78/31/80/568783180.db2.gz ZFJLFEDZNRIKLC-ZWKOTPCHSA-N 0 0 410.315 4.745 50 0 HJAARN O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000002561533 568783731 /nfs/dbraw/zinc/78/37/31/568783731.db2.gz TYHIWMMPSBFXJM-UHFFFAOYSA-N 0 0 407.301 4.765 50 0 HJAARN O=C(Nc1ccc(Br)cc1Cl)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000002623418 568788532 /nfs/dbraw/zinc/78/85/32/568788532.db2.gz WSAFNMVTSDBPNT-HNNXBMFYSA-N 0 0 410.695 4.913 50 0 HJAARN COCCn1c2ccccc2nc1SCC(=O)Nc1c(Cl)cccc1Cl ZINC000002624536 568788810 /nfs/dbraw/zinc/78/88/10/568788810.db2.gz KLHXVGJJAGUWAR-UHFFFAOYSA-N 0 0 410.326 4.720 50 0 HJAARN Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(-n4nc(C)c(Cl)c4C)cc3)o2)n1 ZINC000028573030 568792242 /nfs/dbraw/zinc/79/22/42/568792242.db2.gz VJRFXDNENCVUCD-UHFFFAOYSA-N 0 0 423.904 4.849 50 0 HJAARN C[C@]1(c2cccc(Br)c2)NC(=O)N(Cc2cccc3ccccc32)C1=O ZINC000002642525 568794068 /nfs/dbraw/zinc/79/40/68/568794068.db2.gz PATWZIBGOZUAEW-OAQYLSRUSA-N 0 0 409.283 4.570 50 0 HJAARN CCN(C(=O)CSc1nncn1-c1ccccc1OC)c1cccc2ccccc21 ZINC000002651505 568796439 /nfs/dbraw/zinc/79/64/39/568796439.db2.gz FFXOLGKKFVLAPO-UHFFFAOYSA-N 0 0 418.522 4.574 50 0 HJAARN CC(=O)c1ccccc1NC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000002657971 568798330 /nfs/dbraw/zinc/79/83/30/568798330.db2.gz NSLSOGCPUCIXBA-UHFFFAOYSA-N 0 0 421.453 4.718 50 0 HJAARN O=C(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)c1cccc2cccnc21 ZINC000056252962 568798496 /nfs/dbraw/zinc/79/84/96/568798496.db2.gz RTWRLBPEYUHSOC-UHFFFAOYSA-N 0 0 414.427 4.732 50 0 HJAARN COc1cccc(Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc(F)ccc32)c1 ZINC000002689918 568801036 /nfs/dbraw/zinc/80/10/36/568801036.db2.gz HCQAJRGZLCQBEY-UHFFFAOYSA-N 0 0 401.437 4.737 50 0 HJAARN O=C(/C=C/c1ccccc1)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccc(F)cc1 ZINC000002724709 568803720 /nfs/dbraw/zinc/80/37/20/568803720.db2.gz BGSCSJJRJILPAM-FCHBTLIASA-N 0 0 404.416 4.548 50 0 HJAARN COc1ccccc1NC(=O)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1 ZINC000002725439 568803765 /nfs/dbraw/zinc/80/37/65/568803765.db2.gz OSETYYNRQDBWMT-UHFFFAOYSA-N 0 0 423.174 4.811 50 0 HJAARN O=C(COc1ccc(Cl)cc1)Nc1nnc(SCc2ccccc2F)s1 ZINC000002725879 568803855 /nfs/dbraw/zinc/80/38/55/568803855.db2.gz VBOLTWPTCZGMMJ-UHFFFAOYSA-N 0 0 409.895 4.640 50 0 HJAARN COc1cc(NC(=O)c2ccc(COc3cc(C)ccc3C)o2)c(C(C)=O)cc1OC ZINC000002763856 568807325 /nfs/dbraw/zinc/80/73/25/568807325.db2.gz ZOVCHFBDSGOLJD-UHFFFAOYSA-N 0 0 423.465 4.948 50 0 HJAARN Cc1ccc(N(CCc2ccccc2F)[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1 ZINC000002768383 568807551 /nfs/dbraw/zinc/80/75/51/568807551.db2.gz YETCJOMBRFPBEX-HSZRJFAPSA-N 0 0 402.469 4.515 50 0 HJAARN Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)/C=C/c1cnn(C)c1C ZINC000002769176 568807762 /nfs/dbraw/zinc/80/77/62/568807762.db2.gz BIHQSDIDSAPCFT-SOFGYWHQSA-N 0 0 418.328 4.549 50 0 HJAARN Cc1nn(CCCNC(=S)Nc2cccc3ccccc32)c(C)c1Br ZINC000002782547 568808801 /nfs/dbraw/zinc/80/88/01/568808801.db2.gz JPIWODQAAVRNNP-UHFFFAOYSA-N 0 0 417.376 4.792 50 0 HJAARN CCc1c(C)sc2ncn3nc([C@@H](C)n4nc(C(F)(F)F)cc4C4CC4)nc3c12 ZINC000002789550 568809158 /nfs/dbraw/zinc/80/91/58/568809158.db2.gz IKXILGDLDSHKDB-SECBINFHSA-N 0 0 420.464 4.912 50 0 HJAARN O=C1O[C@H](Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)c2ccccc21 ZINC000002797810 568810549 /nfs/dbraw/zinc/81/05/49/568810549.db2.gz OIKOJRJKWBKXCS-HNNXBMFYSA-N 0 0 421.293 4.850 50 0 HJAARN C[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2Cl)on1)c1ccc2c(c1)OCO2 ZINC000002799953 568810661 /nfs/dbraw/zinc/81/06/61/568810661.db2.gz BDHGVZSGCIASCF-SNVBAGLBSA-N 0 0 405.237 4.868 50 0 HJAARN Cc1cc2n(n1)[C@H](C(F)(F)F)C[C@H](C1CC1)N2C(=O)c1cc(-c2ccccc2)on1 ZINC000002803157 568811202 /nfs/dbraw/zinc/81/12/02/568811202.db2.gz GJSUIHBCHFDFLD-AEFFLSMTSA-N 0 0 416.403 4.779 50 0 HJAARN FC(F)c1cc(C(F)F)n2nc(-c3nnc(Cc4cccc(Cl)c4)o3)cc2n1 ZINC000002803698 568811323 /nfs/dbraw/zinc/81/13/23/568811323.db2.gz LNNPZMDYGRPKFO-UHFFFAOYSA-N 0 0 411.746 4.899 50 0 HJAARN O=C(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)c1ccc(F)cc1C(F)(F)F ZINC000003069908 568853691 /nfs/dbraw/zinc/85/36/91/568853691.db2.gz QDHMLVSDSQRJPT-UHFFFAOYSA-N 0 0 402.558 4.957 50 0 HJAARN Cc1ccc(-c2noc(CSCC(=O)Nc3ccc(Br)cc3)n2)cc1 ZINC000028907849 568812793 /nfs/dbraw/zinc/81/27/93/568812793.db2.gz UQSSSHFMSXNKEN-UHFFFAOYSA-N 0 0 418.316 4.679 50 0 HJAARN Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C)c2ccccc2C)c1 ZINC000028935154 568813496 /nfs/dbraw/zinc/81/34/96/568813496.db2.gz HGJFVDDEDBCEPV-LJQANCHMSA-N 0 0 422.550 4.904 50 0 HJAARN CC[C@@H](C)COC(=O)c1sc2ncn(Cc3ccccc3Cl)c(=O)c2c1C ZINC000002919999 568816794 /nfs/dbraw/zinc/81/67/94/568816794.db2.gz DEFZFNNHGNENNB-GFCCVEGCSA-N 0 0 404.919 4.671 50 0 HJAARN CCOc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2[C@H](C)CC)cc1 ZINC000002925102 568817176 /nfs/dbraw/zinc/81/71/76/568817176.db2.gz GTFVQOZGHZEBIU-CYBMUJFWSA-N 0 0 417.556 4.559 50 0 HJAARN CCOC(=O)c1cc(-c2ccccc2)n(CC(=O)Nc2cc(C)ccc2OC)c1C ZINC000002928446 568817725 /nfs/dbraw/zinc/81/77/25/568817725.db2.gz URWUMWWOJTVPNT-UHFFFAOYSA-N 0 0 406.482 4.596 50 0 HJAARN COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C ZINC000257355597 568817936 /nfs/dbraw/zinc/81/79/36/568817936.db2.gz BNXKKGNFJUFIND-MNJVDJNJSA-N 0 0 404.591 4.775 50 0 HJAARN COc1cc(NC(=O)CCn2c(C)c(C(C)=O)cc2-c2ccccc2)cc(OC)c1 ZINC000002929626 568818135 /nfs/dbraw/zinc/81/81/35/568818135.db2.gz WPOZRDZKGQXEBR-UHFFFAOYSA-N 0 0 406.482 4.712 50 0 HJAARN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)NCCC2=CCCCC2)c1C ZINC000002929765 568818158 /nfs/dbraw/zinc/81/81/58/568818158.db2.gz PEFJVGSDVGDRDG-UHFFFAOYSA-N 0 0 412.505 4.786 50 0 HJAARN CCOc1ccc(NC(=O)c2cn(-c3ccc(OC)cc3)c(=O)c3ccccc23)cc1 ZINC000002937556 568818731 /nfs/dbraw/zinc/81/87/31/568818731.db2.gz DLCWLBRWAUNBPR-UHFFFAOYSA-N 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568826090 /nfs/dbraw/zinc/82/60/90/568826090.db2.gz TYMMEIJYNWXLSI-CQSZACIVSA-N 0 0 419.554 4.869 50 0 HJAARN CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 ZINC000005866245 568827046 /nfs/dbraw/zinc/82/70/46/568827046.db2.gz RYWZNLWCNRCBPA-OAQYLSRUSA-N 0 0 415.331 4.714 50 0 HJAARN Cc1ccc(C)c(-n2cnnc2SCC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000005894165 568828448 /nfs/dbraw/zinc/82/84/48/568828448.db2.gz HVUQKKWQWRQDLY-UHFFFAOYSA-N 0 0 406.433 4.634 50 0 HJAARN O=C(NCc1ccc(-c2ccc(F)cc2)o1)c1ccccc1I ZINC000029673028 568828495 /nfs/dbraw/zinc/82/84/95/568828495.db2.gz HTNXIRCWQAWBFB-UHFFFAOYSA-N 0 0 421.209 4.620 50 0 HJAARN Cc1ccc(-c2csc(NC(=O)COC(=O)c3ccc(F)cc3Cl)n2)cc1 ZINC000005897398 568828606 /nfs/dbraw/zinc/82/86/06/568828606.db2.gz OFXJCVOJZSJNFH-UHFFFAOYSA-N 0 0 404.850 4.707 50 0 HJAARN CCOc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(OC)cc3)oc21 ZINC000002951431 568829077 /nfs/dbraw/zinc/82/90/77/568829077.db2.gz HSKXGXHULLGXGU-FLFQWRMESA-N 0 0 421.478 4.781 50 0 HJAARN COc1ccc(CCNC(=O)c2c(C)onc2-c2c(Cl)cccc2Cl)cc1 ZINC000005921362 568829763 /nfs/dbraw/zinc/82/97/63/568829763.db2.gz WIDQTQPLUKTWLR-UHFFFAOYSA-N 0 0 405.281 4.938 50 0 HJAARN CCc1cc2oc(=O)cc(COC(=O)c3cccc(OC(F)F)c3)c2cc1Cl ZINC000005937280 568830371 /nfs/dbraw/zinc/83/03/71/568830371.db2.gz OUWPTGANAOKKMF-UHFFFAOYSA-N 0 0 408.784 4.967 50 0 HJAARN Cc1nc2c3ccccc3nc(SCC(=O)c3ccc(Cl)c(Cl)c3)n2n1 ZINC000002968892 568831233 /nfs/dbraw/zinc/83/12/33/568831233.db2.gz GSNZRAZHRXUNIK-UHFFFAOYSA-N 0 0 403.294 4.868 50 0 HJAARN O=C(CSc1nc2ccccc2c(=O)n1CCc1ccccc1)c1ccccc1 ZINC000002970118 568831358 /nfs/dbraw/zinc/83/13/58/568831358.db2.gz SPWUGFMHCMDBQP-UHFFFAOYSA-N 0 0 400.503 4.614 50 0 HJAARN Cc1cc(C)nc(Nn2c(=O)c3ccccc3nc2SCc2cccc(Cl)c2)n1 ZINC000002971848 568831909 /nfs/dbraw/zinc/83/19/09/568831909.db2.gz WBKHFQKOLNHGCH-UHFFFAOYSA-N 0 0 423.929 4.624 50 0 HJAARN Cc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccc1 ZINC000057425415 568834644 /nfs/dbraw/zinc/83/46/44/568834644.db2.gz 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ZINC000003039005 568846163 /nfs/dbraw/zinc/84/61/63/568846163.db2.gz MTOAMSCXMAYRRT-XMMPIXPASA-N 0 0 408.517 4.769 50 0 HJAARN COc1ccc(CN2C(=O)CN(C3CCCCCC3)C(=O)[C@@H]2c2ccc(C)cc2)cc1 ZINC000003039192 568846356 /nfs/dbraw/zinc/84/63/56/568846356.db2.gz XIPCLRFNRHAPMH-VWLOTQADSA-N 0 0 420.553 4.639 50 0 HJAARN CCCCOc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccco2)cc1 ZINC000003040089 568846499 /nfs/dbraw/zinc/84/64/99/568846499.db2.gz DOZKGVBONGNJLW-DEOSSOPVSA-N 0 0 424.541 4.703 50 0 HJAARN COc1ccc(C2=NNC(c3ccccc3)=C(c3nc4ccccc4[nH]3)C2)cc1OC ZINC000012539070 568846555 /nfs/dbraw/zinc/84/65/55/568846555.db2.gz XPVKDDQYMNASRT-UHFFFAOYSA-N 0 0 410.477 4.846 50 0 HJAARN Cc1nn(-c2ccccc2)c2sc(C(=O)N(C)[C@@H](C)[C@@H](O)c3ccccc3)cc12 ZINC000003235866 568847830 /nfs/dbraw/zinc/84/78/30/568847830.db2.gz SNCBQDISOXPOKY-HRAATJIYSA-N 0 0 405.523 4.590 50 0 HJAARN Cc1ccc(OCCn2c3ccccc3nc2[C@@H](C)NC(=O)c2ccco2)c(C)c1 ZINC000012541159 568848331 /nfs/dbraw/zinc/84/83/31/568848331.db2.gz 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CN(C(=O)c1cc(Cl)cn(Cc2ccc(C(F)(F)F)cc2)c1=O)c1ccccc1 ZINC000003134503 568857796 /nfs/dbraw/zinc/85/77/96/568857796.db2.gz PWCINVBRJCAVLA-UHFFFAOYSA-N 0 0 420.818 4.845 50 0 HJAARN CN(Cc1cccc(Cl)c1Cl)C(=O)CNC(=O)c1ccc2ccccc2c1 ZINC000003420294 568858695 /nfs/dbraw/zinc/85/86/95/568858695.db2.gz KOKFMQFAAABABH-UHFFFAOYSA-N 0 0 401.293 4.535 50 0 HJAARN COc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc4c(c3)OCCO4)=NN21 ZINC000012561677 568858758 /nfs/dbraw/zinc/85/87/58/568858758.db2.gz DJWBECKUPRJVFP-CJFMBICVSA-N 0 0 414.461 4.709 50 0 HJAARN Cc1c(NC(=S)n2c3ccccc3c3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000003170865 568859586 /nfs/dbraw/zinc/85/95/86/568859586.db2.gz ZLIWYHKSSQEXIU-UHFFFAOYSA-N 0 0 412.518 4.837 50 0 HJAARN Cc1ccc2c(COC(=O)CSc3ccc(Br)cc3)cc(=O)oc2c1 ZINC000012566718 568860176 /nfs/dbraw/zinc/86/01/76/568860176.db2.gz QFWHWIQNHDEGHB-UHFFFAOYSA-N 0 0 419.296 4.699 50 0 HJAARN O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000012569281 568861598 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CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3cccc(F)c3)N2C1=O ZINC000003636857 568865191 /nfs/dbraw/zinc/86/51/91/568865191.db2.gz SNXGXRXDFQWDCF-UYAOXDASSA-N 0 0 424.497 4.608 50 0 HJAARN Cc1cccc(C)c1NC(=O)COC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000003237645 568865717 /nfs/dbraw/zinc/86/57/17/568865717.db2.gz XVNXLDQZDUNYJD-UHFFFAOYSA-N 0 0 416.688 4.824 50 0 HJAARN CC1=Nc2nc(-c3ccccc3)nn2[C@H](c2ccccc2)C1C(=O)OCc1ccccc1 ZINC000012584406 568865779 /nfs/dbraw/zinc/86/57/79/568865779.db2.gz VDGWQAFUGPTCHX-HSZRJFAPSA-N 0 0 422.488 4.977 50 0 HJAARN Cc1ccc(-n2c(SCc3nnc4n3CCCCC4)nnc2-c2ccccc2)cc1 ZINC000003242386 568866562 /nfs/dbraw/zinc/86/65/62/568866562.db2.gz RTUNPPRZOXMKBU-UHFFFAOYSA-N 0 0 416.554 4.853 50 0 HJAARN CCOC(=O)[C@]1(C)C=C(Nc2cccc(Cl)c2)C(=O)N1c1cccc(Cl)c1 ZINC000003672170 568867518 /nfs/dbraw/zinc/86/75/18/568867518.db2.gz UJECVBORRUKVBJ-FQEVSTJZSA-N 0 0 405.281 4.658 50 0 HJAARN CCCCCOc1ccc(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1 ZINC000003259153 568868787 /nfs/dbraw/zinc/86/87/87/568868787.db2.gz QQWLKSJVHOPKCR-UHFFFAOYSA-N 0 0 411.285 4.753 50 0 HJAARN Cc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)n2C)cc1 ZINC000012598749 568869301 /nfs/dbraw/zinc/86/93/01/568869301.db2.gz QRZKPPFAGDWUQU-KRWDZBQOSA-N 0 0 420.582 4.639 50 0 HJAARN O=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccc(N2CCCCCC2)cc1 ZINC000012598807 568869370 /nfs/dbraw/zinc/86/93/70/568869370.db2.gz VYOSWIIERHYKKZ-UHFFFAOYSA-N 0 0 407.514 4.894 50 0 HJAARN COc1ccc(Cl)cc1C(=O)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 ZINC000012599219 568869511 /nfs/dbraw/zinc/86/95/11/568869511.db2.gz IRNZMZJNBHDRTL-UHFFFAOYSA-N 0 0 409.795 4.865 50 0 HJAARN Cc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc2C)cc1 ZINC000012600023 568869772 /nfs/dbraw/zinc/86/97/72/568869772.db2.gz JLVJZVQMJLSVNM-UHFFFAOYSA-N 0 0 422.550 4.685 50 0 HJAARN Cc1ccn2c(c1)nc(-c1ccccc1)c2NC(=O)c1cncc(Br)c1 ZINC000012603083 568870439 /nfs/dbraw/zinc/87/04/39/568870439.db2.gz LVMSCQSOEWVZKF-UHFFFAOYSA-N 0 0 407.271 4.720 50 0 HJAARN O=C(Nc1ccc2c(c1)OCCO2)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000003271103 568870471 /nfs/dbraw/zinc/87/04/71/568870471.db2.gz YDNJTUSKKIAQSH-UHFFFAOYSA-N 0 0 403.463 4.624 50 0 HJAARN O=C(O[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)c1cccnc1 ZINC000003271324 568870522 /nfs/dbraw/zinc/87/05/22/568870522.db2.gz GBCKNRKLHMQKJZ-SFHVURJKSA-N 0 0 400.356 4.637 50 0 HJAARN O=C(COc1ncnc2sc3c(c21)CCCC3)Nc1cc(Cl)cc(Cl)c1 ZINC000003272555 568870617 /nfs/dbraw/zinc/87/06/17/568870617.db2.gz GPDYZFGTOFXXST-UHFFFAOYSA-N 0 0 408.310 4.894 50 0 HJAARN O=C(COC(=O)CCC(=O)c1cccs1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000003275592 568871016 /nfs/dbraw/zinc/87/10/16/568871016.db2.gz GHEUEPASXLOVHY-UHFFFAOYSA-N 0 0 420.701 4.853 50 0 HJAARN COc1ccc(OCc2nnc(SCc3c(C)noc3C)n2-c2ccccc2)cc1 ZINC000012606216 568871094 /nfs/dbraw/zinc/87/10/94/568871094.db2.gz QSZJCPLLXAVPRU-UHFFFAOYSA-N 0 0 422.510 4.752 50 0 HJAARN CCn1c(SCC(=O)c2ccc(O)cc2O)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000003278926 568871335 /nfs/dbraw/zinc/87/13/35/568871335.db2.gz KUSWIZDKBCPBSJ-UHFFFAOYSA-N 0 0 411.527 4.649 50 0 HJAARN Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)c2ccc(Cl)s2)cc1 ZINC000003279974 568871509 /nfs/dbraw/zinc/87/15/09/568871509.db2.gz UTUPULQDUSXOCX-UHFFFAOYSA-N 0 0 405.859 4.625 50 0 HJAARN OCCCNc1nc(CSc2ccc(Cl)cc2)nc2sc3c(c21)CCC3 ZINC000003280480 568871669 /nfs/dbraw/zinc/87/16/69/568871669.db2.gz RVXSHLDJIBNVFG-UHFFFAOYSA-N 0 0 405.976 4.920 50 0 HJAARN COC(=O)c1cc(CSc2nnc(-c3ccncc3)n2-c2ccccc2C)oc1C ZINC000003284599 568872173 /nfs/dbraw/zinc/87/21/73/568872173.db2.gz DYLGOOMAPUBYAL-UHFFFAOYSA-N 0 0 420.494 4.618 50 0 HJAARN CSc1ncc(C(=O)N(C)Cc2c(F)cccc2Cl)n1-c1ccc(F)cc1 ZINC000015317168 568872357 /nfs/dbraw/zinc/87/23/57/568872357.db2.gz CWWWQUGUYSGVBK-UHFFFAOYSA-N 0 0 407.873 4.798 50 0 HJAARN COc1ccc(C(C)(C)C)cc1NC(=O)COc1ccc(F)cc1Br ZINC000003287672 568872752 /nfs/dbraw/zinc/87/27/52/568872752.db2.gz ULPBPGHIQHQWBB-UHFFFAOYSA-N 0 0 410.283 4.912 50 0 HJAARN O=C(COC(=O)Cc1cccc2ccccc21)NC(c1ccccc1)c1ccccc1 ZINC000003290697 568873575 /nfs/dbraw/zinc/87/35/75/568873575.db2.gz NRJKHYVKELNQMK-UHFFFAOYSA-N 0 0 409.485 4.831 50 0 HJAARN CCSc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cn1 ZINC000058005300 568874664 /nfs/dbraw/zinc/87/46/64/568874664.db2.gz MABJJLLFIVQFRV-UHFFFAOYSA-N 0 0 406.920 4.628 50 0 HJAARN CCN(C(=O)COC(=O)c1c2ccccc2nc2c1C[C@@H](C)CC2)c1ccccc1 ZINC000003302185 568877002 /nfs/dbraw/zinc/87/70/02/568877002.db2.gz NAQLDWGSALOVBN-KRWDZBQOSA-N 0 0 402.494 4.570 50 0 HJAARN C[C@H](NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc21)c1ccccc1 ZINC000003303661 568877128 /nfs/dbraw/zinc/87/71/28/568877128.db2.gz DTWNFGWWNHFCKL-INIZCTEOSA-N 0 0 400.434 4.529 50 0 HJAARN O=C(COC(=O)c1ccc(C(F)(F)F)cc1)NC(c1ccccc1)c1ccccc1 ZINC000003313074 568878675 /nfs/dbraw/zinc/87/86/75/568878675.db2.gz IWQURPXILWAIMI-UHFFFAOYSA-N 0 0 413.395 4.768 50 0 HJAARN CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)OCO2 ZINC000003313645 568878760 /nfs/dbraw/zinc/87/87/60/568878760.db2.gz KJODCLKVCNLBKV-INIZCTEOSA-N 0 0 423.296 4.505 50 0 HJAARN COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@]32CCOC(C)(C)C2)cc1 ZINC000004038638 568879873 /nfs/dbraw/zinc/87/98/73/568879873.db2.gz JMYJAWUSQAQZRN-RDPSFJRHSA-N 0 0 408.498 4.533 50 0 biogenic HJAARN O=C(c1c[nH]c2ccccc12)[C@H](Sc1nnnn1-c1ccccc1)c1ccccc1 ZINC000003320921 568880402 /nfs/dbraw/zinc/88/04/02/568880402.db2.gz AFSPJGKFYCZBKT-JOCHJYFZSA-N 0 0 411.490 4.860 50 0 HJAARN CCCCSc1nnc(CNC(=O)c2cccc(F)c2)n1-c1cccc(Cl)c1 ZINC000004059328 568881088 /nfs/dbraw/zinc/88/10/88/568881088.db2.gz ITAYJXRIMVIMHQ-UHFFFAOYSA-N 0 0 418.925 4.882 50 0 HJAARN CCCCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)Nc1ccc(F)cc1 ZINC000003325966 568881154 /nfs/dbraw/zinc/88/11/54/568881154.db2.gz WUFSUNUEBHFWPX-UHFFFAOYSA-N 0 0 419.909 4.720 50 0 HJAARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(NC(=O)C2CC2)s1 ZINC000012627327 568881364 /nfs/dbraw/zinc/88/13/64/568881364.db2.gz KGURDIVTWKCQPA-UHFFFAOYSA-N 0 0 402.479 4.892 50 0 HJAARN Cc1cccc(C(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)Cc2ccco2)c1 ZINC000003334201 568882579 /nfs/dbraw/zinc/88/25/79/568882579.db2.gz ZAZJJWZAIAYCDB-UHFFFAOYSA-N 0 0 416.399 4.888 50 0 HJAARN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccc(F)cc1 ZINC000003334897 568882594 /nfs/dbraw/zinc/88/25/94/568882594.db2.gz KYHRROZMYBDWJR-UHFFFAOYSA-N 0 0 404.850 4.532 50 0 HJAARN CCOc1ccc(C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)cc1OCC ZINC000003334367 568882676 /nfs/dbraw/zinc/88/26/76/568882676.db2.gz ZNTSLNKVIIAASK-UHFFFAOYSA-N 0 0 419.477 4.947 50 0 HJAARN CCOc1ncccc1C(=O)N(CCc1ccccc1)c1nc2ccccc2s1 ZINC000003344834 568884291 /nfs/dbraw/zinc/88/42/91/568884291.db2.gz QQIHQZPLHHFAPZ-UHFFFAOYSA-N 0 0 403.507 4.980 50 0 HJAARN Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)cc1 ZINC000003344584 568884361 /nfs/dbraw/zinc/88/43/61/568884361.db2.gz QRBBUUZNOPYRJF-UHFFFAOYSA-N 0 0 419.481 4.564 50 0 HJAARN COc1cc(Cl)ccc1NC(=S)N1CCCN(Cc2ccccc2Cl)C1 ZINC000058096157 568885547 /nfs/dbraw/zinc/88/55/47/568885547.db2.gz JYJFJPGEECDBJE-UHFFFAOYSA-N 0 0 410.370 4.864 50 0 HJAARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000015421966 568885753 /nfs/dbraw/zinc/88/57/53/568885753.db2.gz NUOLSJAVEKXQGY-UHFFFAOYSA-N 0 0 422.506 4.516 50 0 HJAARN COc1ccccc1Nc1nnc(SCCOc2ccccc2C(C)=O)s1 ZINC000003353108 568886219 /nfs/dbraw/zinc/88/62/19/568886219.db2.gz ODLJJQSCTBDBQD-UHFFFAOYSA-N 0 0 401.513 4.664 50 0 HJAARN COc1ccc(NC(=O)[C@@H](Sc2nnc3ccccn32)c2ccccc2)cc1Cl ZINC000003355307 568886542 /nfs/dbraw/zinc/88/65/42/568886542.db2.gz FKCZDNSJJIAWNZ-IBGZPJMESA-N 0 0 424.913 4.863 50 0 HJAARN COc1cc([C@H]2Nc3ccc(F)cc3[C@H]3OCC[C@H]32)cc(Br)c1OC ZINC000030781363 568889740 /nfs/dbraw/zinc/88/97/40/568889740.db2.gz PUJBYNLAWZKXCW-RZAIGCCYSA-N 0 0 408.267 4.850 50 0 HJAARN Cc1ccc(C(=O)[C@@H](c2ccc(C)cc2)N2C(=O)N[C@](C)(c3ccccc3)C2=O)cc1 ZINC000003375850 568891274 /nfs/dbraw/zinc/89/12/74/568891274.db2.gz MQXMUVPYLWHCEN-ATIYNZHBSA-N 0 0 412.489 4.695 50 0 HJAARN C[C@H](c1nnc(S[C@@H](C)C(=O)c2ccccc2)n1-c1ccc(Cl)cc1)N(C)C ZINC000003376217 568891309 /nfs/dbraw/zinc/89/13/09/568891309.db2.gz HSSGSUOZYDUZBF-CABCVRRESA-N 0 0 414.962 4.907 50 0 HJAARN O=C(Nc1ccc(Br)cn1)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000058162916 568895037 /nfs/dbraw/zinc/89/50/37/568895037.db2.gz AUDLRXLUMDIIMU-UHFFFAOYSA-N 0 0 402.292 4.615 50 0 HJAARN CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)nnc1-c1ccccc1OC ZINC000003401345 568896486 /nfs/dbraw/zinc/89/64/86/568896486.db2.gz ZEXZVMIGYQSOBN-ZDUSSCGKSA-N 0 0 416.934 4.746 50 0 HJAARN O=C(c1cccc(OC(F)F)c1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000003421105 568899883 /nfs/dbraw/zinc/89/98/83/568899883.db2.gz VIXPPUVVDTXFDA-OAHLLOKOSA-N 0 0 404.438 4.724 50 0 HJAARN COC[C@H](C)n1c(C)cc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c1C ZINC000003421876 568900011 /nfs/dbraw/zinc/90/00/11/568900011.db2.gz KSJOBWNKRLVVNG-INIZCTEOSA-N 0 0 424.570 4.745 50 0 HJAARN Cc1cc(C(C)(C)C)cc(C)c1COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000003447394 568904726 /nfs/dbraw/zinc/90/47/26/568904726.db2.gz UMNGZSKOBTVIJI-UHFFFAOYSA-N 0 0 410.482 4.954 50 0 HJAARN Cc1nnc(SCC(=O)NC(c2ccccc2)c2ccccc2)n1-c1ccccc1 ZINC000003450210 568905275 /nfs/dbraw/zinc/90/52/75/568905275.db2.gz ZELKXVXQKPLHQE-UHFFFAOYSA-N 0 0 414.534 4.574 50 0 HJAARN O=C(CNC(=O)c1ccc(F)cc1)Nc1cccc(Nc2nc3ccccc3s2)c1 ZINC000058245094 568905565 /nfs/dbraw/zinc/90/55/65/568905565.db2.gz NBCHDRYMVNZLTA-UHFFFAOYSA-N 0 0 420.469 4.548 50 0 HJAARN CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2ccccc2c1=O ZINC000001243815 568908472 /nfs/dbraw/zinc/90/84/72/568908472.db2.gz RYIFNRPDKYRWQS-UHFFFAOYSA-N 0 0 415.518 4.873 50 0 HJAARN CCOC(=O)c1c(NC(=O)Nc2ccc(OC)cc2)sc2c1C[C@H](C(C)C)OC2 ZINC000001246521 568908594 /nfs/dbraw/zinc/90/85/94/568908594.db2.gz PBQBWKFGTYUJTE-MRXNPFEDSA-N 0 0 418.515 4.675 50 0 HJAARN CC(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C ZINC000003485748 568908818 /nfs/dbraw/zinc/90/88/18/568908818.db2.gz YCZKNJOWCHXQDS-UHFFFAOYSA-N 0 0 414.962 4.665 50 0 HJAARN Cc1cc(-c2cccs2)c2c(N)c(C(=O)c3ccc4c(c3)OCCO4)sc2n1 ZINC000001255538 568908949 /nfs/dbraw/zinc/90/89/49/568908949.db2.gz VUOXHOWBNNGYCJ-UHFFFAOYSA-N 0 0 408.504 4.918 50 0 HJAARN CC1(C)SC(=S)N(Cc2ccc(F)cc2)[C@@H]1N(O)C(=O)Nc1ccccc1 ZINC000001278762 568910128 /nfs/dbraw/zinc/91/01/28/568910128.db2.gz ZUHDUGKHVXNUBS-MRXNPFEDSA-N 0 0 405.520 4.687 50 0 HJAARN Cc1nc(CSc2nnc(-c3ccc4c(c3)OCO4)n2-c2ccccc2)cs1 ZINC000003501008 568910570 /nfs/dbraw/zinc/91/05/70/568910570.db2.gz VXZVFGFQJLJQCR-UHFFFAOYSA-N 0 0 408.508 4.720 50 0 HJAARN COc1ccc([C@H]2Cn3cnc(C(=O)N[C@@H](C)c4ccc(C(C)C)cc4)c3CO2)cc1 ZINC000263615618 568910664 /nfs/dbraw/zinc/91/06/64/568910664.db2.gz DHQNIQWLHMNHHK-GAJHUEQPSA-N 0 0 419.525 4.778 50 0 HJAARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(Cl)cc2Cl)n2ncnc2N1 ZINC000001291772 568912775 /nfs/dbraw/zinc/91/27/75/568912775.db2.gz NGTDFCKMIVVMIR-QGZVFWFLSA-N 0 0 407.301 4.750 50 0 HJAARN COc1ccccc1-n1c(=O)c2ccccc2nc1-c1ccccc1Br ZINC000001307577 568913695 /nfs/dbraw/zinc/91/36/95/568913695.db2.gz RHXOTOUOLISTAN-UHFFFAOYSA-N 0 0 407.267 4.824 50 0 HJAARN Cc1cc(C)c(NC(=O)CN(C)CC(=O)Nc2c(Cl)ccc(C)c2Cl)c(C)c1 ZINC000012698016 568916813 /nfs/dbraw/zinc/91/68/13/568916813.db2.gz MXQREDBHPGYFHH-UHFFFAOYSA-N 0 0 422.356 4.736 50 0 HJAARN O=C(NCCc1csc2nc(-c3ccc(F)cc3)nn12)c1ccc2ccccc2c1 ZINC000004478856 568917837 /nfs/dbraw/zinc/91/78/37/568917837.db2.gz XASPZUYYWFAHPA-UHFFFAOYSA-N 0 0 416.481 4.723 50 0 HJAARN COc1ccccc1OCC(=O)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000031182682 568917927 /nfs/dbraw/zinc/91/79/27/568917927.db2.gz UTVBPAQEUGJOHG-UHFFFAOYSA-N 0 0 408.401 4.855 50 0 HJAARN CC(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)cc1 ZINC000019172567 568918008 /nfs/dbraw/zinc/91/80/08/568918008.db2.gz JDZCHHKQFYNLPK-UHFFFAOYSA-N 0 0 414.552 4.602 50 0 HJAARN CCCN(CCC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1)C(=O)C1CCCC1 ZINC000004526743 568920740 /nfs/dbraw/zinc/92/07/40/568920740.db2.gz VDQAWFHAJNCQHN-UHFFFAOYSA-N 0 0 420.966 4.616 50 0 HJAARN O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCS[C@H]1c1ccc(Cl)cc1 ZINC000002501378 568920891 /nfs/dbraw/zinc/92/08/91/568920891.db2.gz CCZONCWRBCMRRT-HNNXBMFYSA-N 0 0 407.866 4.795 50 0 HJAARN Cc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccccc2)c3=O)cc1C ZINC000003630365 568921211 /nfs/dbraw/zinc/92/12/11/568921211.db2.gz YTEFHDKTAKXQKI-UHFFFAOYSA-N 0 0 401.491 4.917 50 0 HJAARN Cc1ccc(C)c(NC(=O)OCCCNC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)c1 ZINC000003639379 568921771 /nfs/dbraw/zinc/92/17/71/568921771.db2.gz ZBRDEFKGNSSCIZ-WMLDXEAASA-N 0 0 413.345 4.949 50 0 HJAARN O=S(=O)(Cc1cc(Sc2ccccc2)nc(-c2ccccn2)n1)c1ccccc1 ZINC000001383036 568921871 /nfs/dbraw/zinc/92/18/71/568921871.db2.gz UWVAKCAOYJSYGK-UHFFFAOYSA-N 0 0 419.531 4.664 50 0 HJAARN FC(F)(F)COc1ccc(OCC(F)(F)F)c(-c2ncnn2-c2ccccc2)c1 ZINC000001384644 568922221 /nfs/dbraw/zinc/92/22/21/568922221.db2.gz ZVBHHDFVFKOEHD-UHFFFAOYSA-N 0 0 417.309 4.817 50 0 HJAARN CC1(C)CC(=O)c2cc(C(=O)Nc3ccccc3)c(=O)n(-c3ccc(Cl)cc3)c2C1 ZINC000003659190 568923274 /nfs/dbraw/zinc/92/32/74/568923274.db2.gz GIYKABUHKSMMKC-UHFFFAOYSA-N 0 0 420.896 4.898 50 0 HJAARN Cc1ccc(Nc2nnc(S[C@H](C)C(=O)N3CCc4ccccc4C3)s2)c(C)c1 ZINC000012737664 568925311 /nfs/dbraw/zinc/92/53/11/568925311.db2.gz HPQBHVCKAUVKAH-MRXNPFEDSA-N 0 0 424.595 4.964 50 0 HJAARN O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1cccc(COc2cccc(F)c2)c1 ZINC000031397652 568925485 /nfs/dbraw/zinc/92/54/85/568925485.db2.gz FWSIYGLMCYTIAG-NRFANRHFSA-N 0 0 422.481 4.846 50 0 HJAARN CC[C@H](SCc1csc(-c2ccc(OC)cc2)n1)C(=O)Nc1cc(C)on1 ZINC000031413659 568925805 /nfs/dbraw/zinc/92/58/05/568925805.db2.gz VAJSPTLPRBYAMU-INIZCTEOSA-N 0 0 403.529 4.766 50 0 HJAARN COC(=O)c1ccc(-n2ccc(=O)c(Cc3c(Cl)cccc3Cl)c2C)cc1 ZINC000001398279 568925848 /nfs/dbraw/zinc/92/58/48/568925848.db2.gz QHZJDCNCEDLKBL-UHFFFAOYSA-N 0 0 402.277 4.830 50 0 HJAARN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)OCC(=O)N1CCCCCCC1 ZINC000031480603 568926762 /nfs/dbraw/zinc/92/67/62/568926762.db2.gz MOYIFZXWYDQBDU-UHFFFAOYSA-N 0 0 414.449 4.573 50 0 HJAARN COc1cc(-n2nc(C(=O)Nc3ccc(C)cc3C)nc2C)c(Cl)cc1Cl ZINC000001400988 568927014 /nfs/dbraw/zinc/92/70/14/568927014.db2.gz OXCBGMNYLLIFJW-UHFFFAOYSA-N 0 0 405.285 4.760 50 0 HJAARN CN(Cn1nc(-c2ccccc2)[nH]c1=S)[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000012740034 568927016 /nfs/dbraw/zinc/92/70/16/568927016.db2.gz QCUHGTBMSMYNEU-SFHVURJKSA-N 0 0 424.961 4.673 50 0 HJAARN Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2cnc3c(cnn3C(C)C)c2)c1 ZINC000031496793 568927093 /nfs/dbraw/zinc/92/70/93/568927093.db2.gz QCIAACIBHPBZQV-UHFFFAOYSA-N 0 0 420.542 4.546 50 0 HJAARN Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(NC(=O)c3ccco3)cc2)n1 ZINC000031543828 568927644 /nfs/dbraw/zinc/92/76/44/568927644.db2.gz NDCUCPVYHQIOPF-UHFFFAOYSA-N 0 0 400.438 4.587 50 0 HJAARN COc1cccc2c(C)cc(S[C@@H](C)C(=O)Nc3ccc(NC(C)=O)cc3)nc12 ZINC000016624976 568928767 /nfs/dbraw/zinc/92/87/67/568928767.db2.gz XLCYHWZCEDYLRO-AWEZNQCLSA-N 0 0 409.511 4.630 50 0 HJAARN O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000012742940 568930014 /nfs/dbraw/zinc/93/00/14/568930014.db2.gz IVEKFTXKOVIUJF-TZIWHRDSSA-N 0 0 424.497 4.524 50 0 HJAARN CCOC(=O)/C=C(\C)N1N=C2c3cc(OC)ccc3CC[C@H]2[C@H]1c1ccc(F)cc1 ZINC000003995310 568931401 /nfs/dbraw/zinc/93/14/01/568931401.db2.gz UUPXZEATKTYCII-CJJXOWLNSA-N 0 0 408.473 4.625 50 0 HJAARN CC(C)c1c(C(=O)N2CCc3sccc3C2)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000031834408 568933363 /nfs/dbraw/zinc/93/33/63/568933363.db2.gz VZYIMOJFXUQTRI-UHFFFAOYSA-N 0 0 420.460 4.670 50 0 HJAARN CCCN1c2ccc(C)cc2/C(=C\c2nc3ccccc3c(=O)n2-c2ccccc2)C1=O ZINC000031829105 568933406 /nfs/dbraw/zinc/93/34/06/568933406.db2.gz OEQINKGTQJKQRG-OQKWZONESA-N 0 0 421.500 4.991 50 0 HJAARN Cc1nc(-c2ccsc2)sc1C(=O)NCc1cnn(-c2ccc(F)cc2F)c1 ZINC000084064778 568934479 /nfs/dbraw/zinc/93/44/79/568934479.db2.gz RKQOVKMLSNBYIX-UHFFFAOYSA-N 0 0 416.478 4.574 50 0 HJAARN Cc1cc([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2cc(Cl)ccc2Cl)c(C)o1 ZINC000084081623 568936266 /nfs/dbraw/zinc/93/62/66/568936266.db2.gz GWHIXRGSKCXAHQ-KZULUSFZSA-N 0 0 409.313 4.685 50 0 HJAARN C[C@]12C(=O)N(c3ccc(Cl)cc3Cl)C(=O)N1CCc1c3ccccc3[nH]c12 ZINC000004073451 568937899 /nfs/dbraw/zinc/93/78/99/568937899.db2.gz BCKRSRBBHCVHGP-FQEVSTJZSA-N 0 0 400.265 4.715 50 0 biogenic HJAARN Cn1c2ccccc2c2cc([C@@H]3CC(=O)Oc4c5ccccc5n(C)c(=O)c43)ccc21 ZINC000001427897 568939461 /nfs/dbraw/zinc/93/94/61/568939461.db2.gz PDWNLFPSBVFDAZ-SFHVURJKSA-N 0 0 408.457 4.624 50 0 HJAARN O=C1OCC2=C1[C@@H](c1cccc(Cl)c1)CC(=O)N2c1cccc(C(F)(F)F)c1 ZINC000001429578 568939834 /nfs/dbraw/zinc/93/98/34/568939834.db2.gz VVGOVFSJKISCDN-OAHLLOKOSA-N 0 0 407.775 4.690 50 0 HJAARN C[C@@H](Sc1nnc(NC(=O)c2cc3ccccc3oc2=O)s1)c1ccccc1 ZINC000004088060 568941179 /nfs/dbraw/zinc/94/11/79/568941179.db2.gz YXCNTKILRPUHBF-GFCCVEGCSA-N 0 0 409.492 4.750 50 0 HJAARN COc1cc(OC)cc(C(=O)Nc2c3c(nn2-c2ccc(C)c(C)c2)CSC3)c1 ZINC000004088829 568941489 /nfs/dbraw/zinc/94/14/89/568941489.db2.gz AYWIPQULOJCMRD-UHFFFAOYSA-N 0 0 409.511 4.505 50 0 HJAARN O=C(NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccccc1 ZINC000004088934 568941507 /nfs/dbraw/zinc/94/15/07/568941507.db2.gz OVFFRIRCDMMSKN-UHFFFAOYSA-N 0 0 409.898 4.719 50 0 HJAARN Cc1ccccc1[C@@H](C)NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000012755113 568942684 /nfs/dbraw/zinc/94/26/84/568942684.db2.gz CQUMPHMGSCURBZ-LJQANCHMSA-N 0 0 400.522 4.878 50 0 HJAARN COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(Cl)c3)C2)c2ccccc12 ZINC000012757854 568943278 /nfs/dbraw/zinc/94/32/78/568943278.db2.gz WPWGFOFEVRBBIK-MRXNPFEDSA-N 0 0 422.912 4.993 50 0 HJAARN Cc1ccccc1C1(O)CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000084235213 568945085 /nfs/dbraw/zinc/94/50/85/568945085.db2.gz XEWSERSCEIGASF-UHFFFAOYSA-N 0 0 412.942 4.896 50 0 HJAARN COc1ccc(C2=NN(C(C)=O)[C@H](c3cc4ccccc4nc3Cl)C2)cc1OC ZINC000004142163 568946274 /nfs/dbraw/zinc/94/62/74/568946274.db2.gz WUEUKBDRAVAKAA-IBGZPJMESA-N 0 0 409.873 4.603 50 0 HJAARN Cc1cccc(NC(=O)CN(C)CCC(=O)Nc2cc(Cl)ccc2Cl)c1C ZINC000012763126 568946684 /nfs/dbraw/zinc/94/66/84/568946684.db2.gz LSQQMOIQTIUANO-UHFFFAOYSA-N 0 0 408.329 4.509 50 0 HJAARN C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000012764206 568947323 /nfs/dbraw/zinc/94/73/23/568947323.db2.gz WSUQTAURTWJCAP-HXUWFJFHSA-N 0 0 410.517 4.840 50 0 HJAARN CCOc1ccc(OCC)c(NC(=O)CCC(=O)c2ccc(Br)cc2)c1 ZINC000015542925 568947663 /nfs/dbraw/zinc/94/76/63/568947663.db2.gz RISCLAXBBPQAOQ-UHFFFAOYSA-N 0 0 420.303 4.848 50 0 HJAARN COC(=O)[C@H](C)Sc1nnc(Cc2ccccc2)n1-c1cccc(C(F)(F)F)c1 ZINC000004186418 568950028 /nfs/dbraw/zinc/95/00/28/568950028.db2.gz JMRMJEUUUKAHKB-ZDUSSCGKSA-N 0 0 421.444 4.531 50 0 HJAARN COc1ccc([C@@H]2CCCN2C(=O)CSc2ccc(Br)cc2)cc1 ZINC000015574598 568950907 /nfs/dbraw/zinc/95/09/07/568950907.db2.gz XIYSIVSQHUBQTG-SFHVURJKSA-N 0 0 406.345 4.914 50 0 HJAARN CC(=O)c1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2ccc(C)s2)cc1 ZINC000012771055 568951673 /nfs/dbraw/zinc/95/16/73/568951673.db2.gz RPHRPNDXSYLEAQ-UHFFFAOYSA-N 0 0 413.564 4.693 50 0 HJAARN CCCCN1c2ccc(NC(=O)c3cc(=O)c4ccccc4o3)c3cccc(c23)C1=O ZINC000004224115 568952471 /nfs/dbraw/zinc/95/24/71/568952471.db2.gz XVHNOXOTLNBBSY-UHFFFAOYSA-N 0 0 412.445 4.959 50 0 HJAARN CC(C)Oc1ccc(-c2nc(C(=O)NCc3nnc(C(C)C)s3)cs2)cc1 ZINC000084631282 568953807 /nfs/dbraw/zinc/95/38/07/568953807.db2.gz XGYJHVGYCBEYND-UHFFFAOYSA-N 0 0 402.545 4.502 50 0 HJAARN CCc1cccc(CC)c1-n1ccnc1SCC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000004248649 568953808 /nfs/dbraw/zinc/95/38/08/568953808.db2.gz BYJNYIPVJHHHAW-UHFFFAOYSA-N 0 0 423.538 4.515 50 0 HJAARN COc1cccc(OCC(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2)c1 ZINC000004267233 568956231 /nfs/dbraw/zinc/95/62/31/568956231.db2.gz UWHXDKDAQQJVAM-UHFFFAOYSA-N 0 0 416.433 4.711 50 0 HJAARN CCC(CC)C(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1cc(OC)ccc1OC ZINC000012779299 568956527 /nfs/dbraw/zinc/95/65/27/568956527.db2.gz RMBCDBIFYHTGPC-JOCHJYFZSA-N 0 0 410.514 4.826 50 0 HJAARN C[C@H]1CN(Cc2ccccc2)c2ccccc2N(C(=O)CCCNC(=O)C(C)(C)C)C1 ZINC000084715212 568957084 /nfs/dbraw/zinc/95/70/84/568957084.db2.gz DMZFTYSJNCYSAT-FQEVSTJZSA-N 0 0 421.585 4.618 50 0 HJAARN O=C(CN[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)Nc1ccc(F)c(F)c1 ZINC000012780756 568957512 /nfs/dbraw/zinc/95/75/12/568957512.db2.gz KHHALGVCADTKEB-HSZRJFAPSA-N 0 0 419.431 4.598 50 0 HJAARN COc1cc(OC)cc(-c2nnc(NC(=O)c3ccc(-c4ccccc4)cc3)o2)c1 ZINC000004276121 568958204 /nfs/dbraw/zinc/95/82/04/568958204.db2.gz NUFPCUBYQKBSGG-UHFFFAOYSA-N 0 0 401.422 4.673 50 0 HJAARN O=C(CCc1nc2ccccc2s1)NCCSc1ccc(Br)cc1 ZINC000012783000 568958490 /nfs/dbraw/zinc/95/84/90/568958490.db2.gz ZAJPKFCGEYVISV-UHFFFAOYSA-N 0 0 421.385 4.900 50 0 HJAARN CC[C@H](C)c1ccc(-c2csc(NC(=O)CCc3c(C)nc(C)[nH]c3=O)n2)cc1 ZINC000012785193 568959678 /nfs/dbraw/zinc/95/96/78/568959678.db2.gz DSJOLLRNGCAYAV-ZDUSSCGKSA-N 0 0 410.543 4.595 50 0 HJAARN COc1cccc(C2=NN(C(C)=O)[C@H](c3cc4ccc(OC)cc4nc3Cl)C2)c1 ZINC000004306601 568960641 /nfs/dbraw/zinc/96/06/41/568960641.db2.gz XXYIKYWDOMXTBF-NRFANRHFSA-N 0 0 409.873 4.603 50 0 HJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)n2nnc3ccccc32)cc1 ZINC000005560482 568960669 /nfs/dbraw/zinc/96/06/69/568960669.db2.gz FIOWVHUMECJJFP-FOCLMDBBSA-N 0 0 405.461 4.946 50 0 HJAARN CCCCn1c(Cn2ccnc2C)nc2cc(NC(=O)c3ccccc3OC)ccc21 ZINC000015669164 568960742 /nfs/dbraw/zinc/96/07/42/568960742.db2.gz SVYFWYIXMSEEIL-UHFFFAOYSA-N 0 0 417.513 4.651 50 0 HJAARN Cc1[nH]c2ccc(-c3nnc(SCC(=O)NCCC4=CCCCC4)o3)cc2c1C ZINC000015670830 568961389 /nfs/dbraw/zinc/96/13/89/568961389.db2.gz RUWFLQQJZKNKBF-UHFFFAOYSA-N 0 0 410.543 4.934 50 0 HJAARN CN(CC(=O)Nc1ccc(Cl)cc1)C(=S)Nc1cccc(C(F)(F)F)c1 ZINC000007987367 568965195 /nfs/dbraw/zinc/96/51/95/568965195.db2.gz CPDDPXDGNZADGM-UHFFFAOYSA-N 0 0 401.841 4.626 50 0 HJAARN CC(=O)N[C@@H](CC(=O)Nc1nnc(-c2ccc(C(C)C)cc2)s1)c1ccccc1 ZINC000007990910 568967245 /nfs/dbraw/zinc/96/72/45/568967245.db2.gz YIGJOCFYXWTCLO-IBGZPJMESA-N 0 0 408.527 4.535 50 0 HJAARN Cc1nc(CC(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)cs1 ZINC000007995621 568967430 /nfs/dbraw/zinc/96/74/30/568967430.db2.gz WZGJNHMDFUZRRJ-UHFFFAOYSA-N 0 0 408.346 4.827 50 0 HJAARN CC(C)[C@@H](NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C)c1nc2ccccc2[nH]1 ZINC000008013506 568968467 /nfs/dbraw/zinc/96/84/67/568968467.db2.gz BSCBUWLXMHGNNQ-OAQYLSRUSA-N 0 0 416.529 4.893 50 0 HJAARN CC[C@@H](C)NC(=O)c1ccc(-c2nc(C[S@@](=O)c3ccc(C)cc3)c(C)o2)cc1 ZINC000015682273 568968553 /nfs/dbraw/zinc/96/85/53/568968553.db2.gz STEJCBDHTCIXDE-BCOMRZATSA-N 0 0 410.539 4.795 50 0 HJAARN Cc1oc(-c2ccccc2F)nc1CN1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000005043940 568969302 /nfs/dbraw/zinc/96/93/02/568969302.db2.gz MFMHHJWWDUFITB-HRAATJIYSA-N 0 0 413.537 4.696 50 0 HJAARN Cc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1S(=O)(=O)Nc1ccccc1Cl ZINC000008050166 568970603 /nfs/dbraw/zinc/97/06/03/568970603.db2.gz RAQLTPBTCFTGLD-OAHLLOKOSA-N 0 0 404.919 4.744 50 0 HJAARN COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000008058868 568970834 /nfs/dbraw/zinc/97/08/34/568970834.db2.gz ZJCNOTOMZXJKPE-MRXNPFEDSA-N 0 0 416.326 4.536 50 0 HJAARN O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008071376 568971423 /nfs/dbraw/zinc/97/14/23/568971423.db2.gz RROILWGVVMZVGR-QUCCMNQESA-N 0 0 422.550 4.874 50 0 HJAARN COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 ZINC000008074051 568972011 /nfs/dbraw/zinc/97/20/11/568972011.db2.gz ZDTCOYRLNAKBSP-QRWLVFNGSA-N 0 0 410.539 4.885 50 0 HJAARN O=C(NCCc1ccc2c(c1)OCCO2)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000008076610 568972734 /nfs/dbraw/zinc/97/27/34/568972734.db2.gz FZPKUACEECODKP-QHCPKHFHSA-N 0 0 405.519 4.650 50 0 HJAARN C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)N1c2ccccc2C[C@H]1C ZINC000008131676 568975521 /nfs/dbraw/zinc/97/55/21/568975521.db2.gz LCIDZUAAPDLNCX-HZPDHXFCSA-N 0 0 404.539 4.603 50 0 HJAARN Cn1c(SCc2nc(-c3ccccc3Cl)no2)nnc1-c1ccccc1F ZINC000008132018 568975702 /nfs/dbraw/zinc/97/57/02/568975702.db2.gz FOEWKJUUBXCQJN-UHFFFAOYSA-N 0 0 401.854 4.617 50 0 HJAARN O=C(CCNC(=O)c1ccsc1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000012797773 568976344 /nfs/dbraw/zinc/97/63/44/568976344.db2.gz MLHJADHPHQDZJT-UHFFFAOYSA-N 0 0 411.552 4.509 50 0 HJAARN COc1ccc([C@H](CC(=O)Nc2ccc(F)cc2C)N2Cc3ccccc3C2=O)cc1 ZINC000015720938 568976489 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/nfs/dbraw/zinc/01/83/22/569018322.db2.gz OSAQLHKZOYXZJH-UHFFFAOYSA-N 0 0 416.890 4.630 50 0 HJAARN O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)Nc1cccc(F)c1 ZINC000015880639 569018352 /nfs/dbraw/zinc/01/83/52/569018352.db2.gz LOAXRDXUPHBFIS-UHFFFAOYSA-N 0 0 404.854 4.761 50 0 HJAARN COc1ccccc1CNC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 ZINC000015881119 569018682 /nfs/dbraw/zinc/01/86/82/569018682.db2.gz IEJWFWVTUGVUBG-UHFFFAOYSA-N 0 0 417.505 4.918 50 0 HJAARN O=C(Nc1ccc(F)c(Cl)c1)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O ZINC000015882849 569019217 /nfs/dbraw/zinc/01/92/17/569019217.db2.gz WGRIGWWCIRDDHH-UHFFFAOYSA-N 0 0 424.781 4.960 50 0 HJAARN O[C@@H](COCc1ccccc1Cl)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000012890612 569019933 /nfs/dbraw/zinc/01/99/33/569019933.db2.gz IAJPEZNOOQNGJQ-HNNXBMFYSA-N 0 0 411.310 4.713 50 0 HJAARN COc1ccccc1[C@H](C)N[C@H](C)C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000012891295 569020074 /nfs/dbraw/zinc/02/00/74/569020074.db2.gz UDOJVDYYJWRAHT-ZWKOTPCHSA-N 0 0 402.494 4.604 50 0 HJAARN CCCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)ccc1Cl ZINC000021874573 569020531 /nfs/dbraw/zinc/02/05/31/569020531.db2.gz GOKUGWBHRBILGZ-UHFFFAOYSA-N 0 0 415.342 4.633 50 0 HJAARN CC[C@@H](NC(=O)c1cnc2c(cnn2C(C)C)c1)c1ccc(Br)cc1 ZINC000012900486 569020719 /nfs/dbraw/zinc/02/07/19/569020719.db2.gz BNQAPHGGLDHAFG-QGZVFWFLSA-N 0 0 401.308 4.656 50 0 HJAARN CCc1ccc([C@@H](N[C@H](C(=O)N2CCOCC2)c2ccccc2)c2cccs2)cc1 ZINC000012909380 569021758 /nfs/dbraw/zinc/02/17/58/569021758.db2.gz WKFQPRPZMMNQED-RPWUZVMVSA-N 0 0 420.578 4.590 50 0 HJAARN CCCn1c(SCC(=O)N(C)Cc2ccccc2F)nnc1-c1cccc(C)c1 ZINC000012911956 569021823 /nfs/dbraw/zinc/02/18/23/569021823.db2.gz SMYYHNYGKXVOMN-UHFFFAOYSA-N 0 0 412.534 4.553 50 0 HJAARN Cc1oc2cc(OCC(=O)NCc3cccs3)ccc2c(=O)c1Oc1ccccc1 ZINC000012911113 569021959 /nfs/dbraw/zinc/02/19/59/569021959.db2.gz ZHMAPQPYAJICGB-UHFFFAOYSA-N 0 0 421.474 4.650 50 0 HJAARN COc1ccc(OCCC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1 ZINC000012913994 569022068 /nfs/dbraw/zinc/02/20/68/569022068.db2.gz BMFYZIVSPXZKQX-UHFFFAOYSA-N 0 0 408.479 4.650 50 0 HJAARN CSCc1nnc(SCC(=O)c2cc(C)n(CCc3ccccc3)c2C)o1 ZINC000012918237 569022662 /nfs/dbraw/zinc/02/26/62/569022662.db2.gz VZVHQQAJXDNDAX-UHFFFAOYSA-N 0 0 401.557 4.569 50 0 HJAARN O=C(c1ccc2c(c1)NC(=O)CS2)N(CCc1ccccc1)Cc1ccccc1 ZINC000012927887 569024061 /nfs/dbraw/zinc/02/40/61/569024061.db2.gz HRCDXDHXFUAFCY-UHFFFAOYSA-N 0 0 402.519 4.616 50 0 HJAARN Cc1cccc(C2N=NC(=S)N2CC(=O)N2CCC[C@@H]2c2ccc(C)c(C)c2)c1 ZINC000063816723 569024720 /nfs/dbraw/zinc/02/47/20/569024720.db2.gz JGBIXHQMLMPGQB-HXUWFJFHSA-N 0 0 406.555 4.523 50 0 HJAARN COc1cc(CC(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)ccc1C ZINC000012937972 569027907 /nfs/dbraw/zinc/02/79/07/569027907.db2.gz OTWCFTSQZKAAJO-UHFFFAOYSA-N 0 0 406.404 4.552 50 0 HJAARN Cc1cc(C)c(C)c(Cn2c(CCNC(=O)CCC[C@@H](C)O)nc3ccccc32)c1C ZINC000575442908 569028004 /nfs/dbraw/zinc/02/80/04/569028004.db2.gz WWEARXSVJFFPQN-LJQANCHMSA-N 0 0 421.585 4.528 50 0 HJAARN CN(CC(=O)Nc1ccccc1-c1nc2ccccc2s1)C(=O)c1ccccc1 ZINC000012943826 569028892 /nfs/dbraw/zinc/02/88/92/569028892.db2.gz UNUMHYWSTMFLIC-UHFFFAOYSA-N 0 0 401.491 4.674 50 0 HJAARN CC(=O)c1ccc(N2CCN(C(=O)c3oc4ccc(Cl)cc4c3C)CC2)c(F)c1 ZINC000016111594 569029022 /nfs/dbraw/zinc/02/90/22/569029022.db2.gz GBVNEBWJNDRRRF-UHFFFAOYSA-N 0 0 414.864 4.699 50 0 HJAARN COc1cc2nc(NC(=O)c3nc(-c4ccco4)sc3C)sc2cc1OC ZINC000012951747 569029579 /nfs/dbraw/zinc/02/95/79/569029579.db2.gz JJQBXEGKHHIEIU-UHFFFAOYSA-N 0 0 401.469 4.591 50 0 HJAARN Cc1ccnc(SCC(=O)c2cc3cc4c(cc3oc2=O)N(C)C(C)(C)C[C@H]4C)n1 ZINC000575473164 569029956 /nfs/dbraw/zinc/02/99/56/569029956.db2.gz KHIOMYOTBCEAQN-CYBMUJFWSA-N 0 0 423.538 4.588 50 0 HJAARN CCCCOc1c(Cl)cc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cc1OC ZINC000006203915 569032750 /nfs/dbraw/zinc/03/27/50/569032750.db2.gz QZXSEBGWWBDXKG-LDADJPATSA-N 0 0 415.873 4.881 50 0 HJAARN O=C(CN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc21)NCCC1=CCCCC1 ZINC000006229945 569033580 /nfs/dbraw/zinc/03/35/80/569033580.db2.gz ULKUGXIMFVUCPB-VWLOTQADSA-N 0 0 413.521 4.720 50 0 HJAARN Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc4c(c3)CCC4)c2)cc1 ZINC000006236296 569034027 /nfs/dbraw/zinc/03/40/27/569034027.db2.gz GLZAKZQWGQSBRY-UHFFFAOYSA-N 0 0 420.534 4.561 50 0 HJAARN Cc1cccc(-c2ccc(N3CCC[C@H](C(=O)Nc4ccc(C)cc4C)C3)nn2)c1 ZINC000035398292 569035079 /nfs/dbraw/zinc/03/50/79/569035079.db2.gz MLZLHPFESBHYRY-NRFANRHFSA-N 0 0 400.526 4.924 50 0 HJAARN Cc1cccc(-c2ccc(N3CCC(C(=O)NCc4ccccc4Cl)CC3)nn2)c1 ZINC000035398426 569035165 /nfs/dbraw/zinc/03/51/65/569035165.db2.gz PCSZELLJNCNIHV-UHFFFAOYSA-N 0 0 420.944 4.638 50 0 HJAARN O=C(NCCC1=CCCCC1)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1 ZINC000035398449 569035172 /nfs/dbraw/zinc/03/51/72/569035172.db2.gz QJVVOUUVLSTKFD-UHFFFAOYSA-N 0 0 408.521 4.506 50 0 HJAARN COc1ccc(CCC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc1 ZINC000035399471 569035335 /nfs/dbraw/zinc/03/53/35/569035335.db2.gz IFGXYRMBFAEVPS-UHFFFAOYSA-N 0 0 419.500 4.501 50 0 biogenic HJAARN COc1cccc(Cn2cnc3c4ccccc4n(Cc4cccc(C)c4)c3c2=O)c1 ZINC000035400274 569035434 /nfs/dbraw/zinc/03/54/34/569035434.db2.gz YHYNQFYHVAGHMW-UHFFFAOYSA-N 0 0 409.489 4.765 50 0 HJAARN CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1 ZINC000006258848 569035676 /nfs/dbraw/zinc/03/56/76/569035676.db2.gz ZASQTVWZCLVFBJ-UHFFFAOYSA-N 0 0 408.523 4.635 50 0 HJAARN CCc1nnc(-c2cn(CC(=O)Nc3ccc(OC)c(Cl)c3)c3ccccc23)o1 ZINC000035423013 569036295 /nfs/dbraw/zinc/03/62/95/569036295.db2.gz XFENEJNZATUDHZ-UHFFFAOYSA-N 0 0 410.861 4.554 50 0 HJAARN COc1ccc(NC(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)cc1 ZINC000006271547 569036664 /nfs/dbraw/zinc/03/66/64/569036664.db2.gz WSESJZMKUSCFFT-UHFFFAOYSA-N 0 0 410.857 4.618 50 0 HJAARN COc1ccc2c(c1)NC1(CCN(C(=O)Nc3cc(F)ccc3F)CC1)c1cccn1-2 ZINC000035446953 569037151 /nfs/dbraw/zinc/03/71/51/569037151.db2.gz RLCGPRSILMFJNT-UHFFFAOYSA-N 0 0 424.451 4.713 50 0 biogenic HJAARN COc1ccc2c(c1)NC1(CCN(C(=O)Nc3ccccc3F)CC1)c1cccn1-2 ZINC000035446965 569037184 /nfs/dbraw/zinc/03/71/84/569037184.db2.gz DKGPVVDCLLCUAY-UHFFFAOYSA-N 0 0 406.461 4.574 50 0 biogenic HJAARN COc1ccc2c(c1)NC1(CCN(C(=O)Nc3ccc(F)cc3F)CC1)c1cccn1-2 ZINC000035446983 569037285 /nfs/dbraw/zinc/03/72/85/569037285.db2.gz BSQYLLOXVHUBAK-UHFFFAOYSA-N 0 0 424.451 4.713 50 0 biogenic HJAARN O=C(CCn1cnc2cc(-c3noc(-c4ccccc4)n3)ccc21)N1CCCCCC1 ZINC000035460641 569038226 /nfs/dbraw/zinc/03/82/26/569038226.db2.gz MFVAITLMRBVWDU-UHFFFAOYSA-N 0 0 415.497 4.546 50 0 HJAARN CC(C)c1cc(Nc2ccc(Br)cc2)n2nc(-c3cccnc3)nc2n1 ZINC000035477162 569038368 /nfs/dbraw/zinc/03/83/68/569038368.db2.gz MXIOLQRODWGFJS-UHFFFAOYSA-N 0 0 409.291 4.816 50 0 HJAARN CCOc1c(Br)cc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1OC ZINC000006302652 569038532 /nfs/dbraw/zinc/03/85/32/569038532.db2.gz FXSUQPPBGGMDMV-UHFFFAOYSA-N 0 0 414.683 4.771 50 0 HJAARN COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O ZINC000006307341 569038589 /nfs/dbraw/zinc/03/85/89/569038589.db2.gz VDOYHUPIWLPQOZ-UHFFFAOYSA-N 0 0 422.525 4.887 50 0 HJAARN COc1ccc2ccccc2c1CCC(=O)NCc1nccnc1-c1cccs1 ZINC000575619334 569038671 /nfs/dbraw/zinc/03/86/71/569038671.db2.gz DJMPJBRFWVGCGY-UHFFFAOYSA-N 0 0 403.507 4.616 50 0 HJAARN COc1cc(CCC(=O)N(C)Cc2ccc(Cl)cc2Cl)cc(OC)c1OC ZINC000006308781 569038672 /nfs/dbraw/zinc/03/86/72/569038672.db2.gz WVOGGITXMBIVDJ-UHFFFAOYSA-N 0 0 412.313 4.610 50 0 HJAARN C[C@@H]1CC[C@H](C)N(C(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccccc2)N3)C1 ZINC000169619794 569039122 /nfs/dbraw/zinc/03/91/22/569039122.db2.gz SJUIOMIHNPPKAB-YQYZPQCESA-N 0 0 406.452 4.804 50 0 HJAARN O=C(Nc1ccccc1)Nc1cccc(-c2noc(-c3ccc4c(c3)OCO4)n2)c1 ZINC000035481906 569039538 /nfs/dbraw/zinc/03/95/38/569039538.db2.gz JCFGTPSTAOBMEG-UHFFFAOYSA-N 0 0 400.394 4.776 50 0 HJAARN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(c3ccnc(-c4ccc(F)cc4)n3)C2)cc1 ZINC000035482988 569039564 /nfs/dbraw/zinc/03/95/64/569039564.db2.gz BXTFRWOGYWXOBG-WIYYLYMNSA-N 0 0 418.516 4.685 50 0 HJAARN C[C@@H]1CCC[C@H](NC(=O)CN2C(=O)c3ccccc3[C@H]2c2c[nH]c3ccccc32)[C@H]1C ZINC000226817683 569039916 /nfs/dbraw/zinc/03/99/16/569039916.db2.gz IMIPXVACLGOPIA-RZIZEHHRSA-N 0 0 415.537 4.654 50 0 HJAARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Nc2ccnc(-c3ccccc3)n2)cc1 ZINC000035502592 569040402 /nfs/dbraw/zinc/04/04/02/569040402.db2.gz WGZPKHIDIZXOOS-UHFFFAOYSA-N 0 0 424.460 4.911 50 0 HJAARN O=C(O[C@@H](C(=O)N1CCCC1)c1ccccc1)c1ccc(C2SCCS2)cc1 ZINC000012972513 569041726 /nfs/dbraw/zinc/04/17/26/569041726.db2.gz RGRHCDNQTHADKG-LJQANCHMSA-N 0 0 413.564 4.686 50 0 HJAARN O=C(O[C@H](C(=O)N1CCCC1)c1ccccc1)c1ccc(C2SCCS2)cc1 ZINC000012972514 569041741 /nfs/dbraw/zinc/04/17/41/569041741.db2.gz RGRHCDNQTHADKG-IBGZPJMESA-N 0 0 413.564 4.686 50 0 HJAARN O=C(CSCc1ccccc1)NCc1cc(-c2ccncc2)n(C2CCCC2)n1 ZINC000090607131 569041800 /nfs/dbraw/zinc/04/18/00/569041800.db2.gz MJQRQPDGYKUBSW-UHFFFAOYSA-N 0 0 406.555 4.610 50 0 HJAARN CC(=O)N1CCc2cc(-c3ccc(C(=O)NCCc4c[nH]c5ccccc45)cc3)ccc21 ZINC000035514553 569043302 /nfs/dbraw/zinc/04/33/02/569043302.db2.gz WCXXUZKMYXTCFG-UHFFFAOYSA-N 0 0 423.516 4.716 50 0 HJAARN O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000006330212 569043728 /nfs/dbraw/zinc/04/37/28/569043728.db2.gz LZFCEBBSHYHTCY-UHFFFAOYSA-N 0 0 414.431 4.872 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)N1CCC[C@](C)(C(=O)NCc2ccc(F)cc2)C1 ZINC000035526836 569043861 /nfs/dbraw/zinc/04/38/61/569043861.db2.gz DYHOXGGYRNVTOM-QFIPXVFZSA-N 0 0 417.912 4.738 50 0 HJAARN Cc1ccc(-c2noc([C@H]3CCCN3S(=O)(=O)c3ccc(C(C)C)cc3)n2)cc1 ZINC000035527824 569043948 /nfs/dbraw/zinc/04/39/48/569043948.db2.gz IDYVZSQSBDOKOO-HXUWFJFHSA-N 0 0 411.527 4.694 50 0 HJAARN Cc1ccc(CSc2nnc3n2c2ccsc2c(=O)n3Cc2ccccc2)cc1 ZINC000035529263 569044171 /nfs/dbraw/zinc/04/41/71/569044171.db2.gz UVTHWHCTHJAXPI-UHFFFAOYSA-N 0 0 418.547 4.755 50 0 HJAARN O=C(Nc1ccc(Cc2ccc(NC(=O)c3ccncc3)cc2)cc1)c1ccncc1 ZINC000006332838 569044188 /nfs/dbraw/zinc/04/41/88/569044188.db2.gz LILGLRSRYAQGNU-UHFFFAOYSA-N 0 0 408.461 4.572 50 0 HJAARN COc1ccccc1NC(=O)N(Cc1ccccc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000035529410 569044195 /nfs/dbraw/zinc/04/41/95/569044195.db2.gz DOBMZJGEEVGTGC-OAQYLSRUSA-N 0 0 415.493 4.923 50 0 HJAARN CCCN(CCC)c1nc2ncnc(SCC(=O)Nc3ccc(F)cc3)c2s1 ZINC000035533996 569044518 /nfs/dbraw/zinc/04/45/18/569044518.db2.gz HJHVBSKAFDUFSV-UHFFFAOYSA-N 0 0 419.551 4.583 50 0 HJAARN CCCn1c2ccc(-c3noc([C@H](C)Oc4cccc(Cl)c4)n3)cc2nc(C)c1=O ZINC000035553350 569044623 /nfs/dbraw/zinc/04/46/23/569044623.db2.gz XJAILLNKBLZPFF-AWEZNQCLSA-N 0 0 424.888 4.958 50 0 HJAARN COc1ccc(CC(=O)Nc2cc(-c3noc(C4CCC4)n3)sc2C)cc1OC ZINC000035555046 569044688 /nfs/dbraw/zinc/04/46/88/569044688.db2.gz KMKOQMOHQFWYLC-UHFFFAOYSA-N 0 0 413.499 4.572 50 0 HJAARN CCc1ccc(CNC(=O)[C@@H](C)C2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 ZINC000035561960 569045080 /nfs/dbraw/zinc/04/50/80/569045080.db2.gz WTEXAFCQPMUPAC-SFHVURJKSA-N 0 0 417.553 4.535 50 0 HJAARN O=C(Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1)c1cccc2ccccc21 ZINC000035598089 569045886 /nfs/dbraw/zinc/04/58/86/569045886.db2.gz ZFSMUXITDZCSTP-UHFFFAOYSA-N 0 0 406.449 4.811 50 0 HJAARN O=C(CSc1ncnc2cc(-c3ccc(F)cc3)sc21)NCc1ccccc1 ZINC000006365052 569046015 /nfs/dbraw/zinc/04/60/15/569046015.db2.gz QHFKGDXZINMLTH-UHFFFAOYSA-N 0 0 409.511 4.906 50 0 HJAARN COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N1CCC[C@H](C(F)(F)F)C1 ZINC000035600952 569046264 /nfs/dbraw/zinc/04/62/64/569046264.db2.gz XVCZYIFVWVQIPK-FXAWDEMLSA-N 0 0 406.448 4.958 50 0 HJAARN COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)/C=C/c1cccs1)CC2 ZINC000016002299 569046755 /nfs/dbraw/zinc/04/67/55/569046755.db2.gz LDPCVTMQYSSUSX-NFPSEPLVSA-N 0 0 405.519 4.953 50 0 HJAARN Fc1ccc(CSCC2N=NC(=S)N2c2ccc3c(c2)OCO3)c(Cl)c1 ZINC000006402656 569046818 /nfs/dbraw/zinc/04/68/18/569046818.db2.gz KCKRFQFULQEQKG-UHFFFAOYSA-N 0 0 409.895 4.511 50 0 HJAARN COc1cc(Cl)c(C)cc1NC(=O)COC(=O)C1(c2cccc(F)c2)CCCC1 ZINC000006418739 569046962 /nfs/dbraw/zinc/04/69/62/569046962.db2.gz CUEOVZZMBQODMX-UHFFFAOYSA-N 0 0 419.880 4.790 50 0 HJAARN COC(=O)c1ccc(C)c(NC(=O)c2sc(COc3ccc(C)cc3)nc2C)c1 ZINC000012986231 569047856 /nfs/dbraw/zinc/04/78/56/569047856.db2.gz VOVFMZRBAXDHEQ-UHFFFAOYSA-N 0 0 410.495 4.686 50 0 HJAARN COc1ccc([C@@H](C)NC(=O)/C=C/c2ccc(OCc3ccccn3)cc2)cc1F ZINC000040079656 569048058 /nfs/dbraw/zinc/04/80/58/569048058.db2.gz AGXMMDIALPGLMN-MSGBMKDASA-N 0 0 406.457 4.699 50 0 HJAARN O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CC(=O)Nc2c(-c3ccc(F)cc3)cnn21 ZINC000035685064 569050230 /nfs/dbraw/zinc/05/02/30/569050230.db2.gz KHSFFPBMBMHTGC-INIZCTEOSA-N 0 0 402.788 4.653 50 0 HJAARN C[C@H](Sc1ccc2c(c1)OCCCO2)C(=O)Nc1ccc(Br)cc1 ZINC000006436814 569050549 /nfs/dbraw/zinc/05/05/49/569050549.db2.gz AGGHXTVUXQMVKR-LBPRGKRZSA-N 0 0 408.317 4.730 50 0 HJAARN Cc1cc(C(=O)N(C)Cc2cccc(Cl)c2)c2cnn(Cc3cccs3)c2n1 ZINC000013013095 569050689 /nfs/dbraw/zinc/05/06/89/569050689.db2.gz ZKTUNAYOXZECSI-UHFFFAOYSA-N 0 0 410.930 4.775 50 0 HJAARN CCCc1noc([C@H](C)Sc2nc3ccccc3c(=O)n2-c2ccccc2C)n1 ZINC000013013465 569050910 /nfs/dbraw/zinc/05/09/10/569050910.db2.gz PWBBSSPESXMDSK-HNNXBMFYSA-N 0 0 406.511 4.883 50 0 HJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2SCC(=O)N2C[C@H]2CCCO2)cc1 ZINC000013013749 569050983 /nfs/dbraw/zinc/05/09/83/569050983.db2.gz OJFNMYQBRXBWEC-HYBUGGRVSA-N 0 0 419.550 4.601 50 0 HJAARN Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2SCC(=O)N2C[C@H]2CCCO2)cc1 ZINC000013013747 569050988 /nfs/dbraw/zinc/05/09/88/569050988.db2.gz OJFNMYQBRXBWEC-YKSBVNFPSA-N 0 0 419.550 4.601 50 0 HJAARN C[C@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)c1ccc(F)cc1 ZINC000013022681 569051258 /nfs/dbraw/zinc/05/12/58/569051258.db2.gz WWOTZKKWCDQLOM-KRWDZBQOSA-N 0 0 404.485 4.709 50 0 HJAARN Cc1cccc(Cc2cnc(NC(=O)COc3ccc(Br)cc3)s2)c1 ZINC000001769925 569052344 /nfs/dbraw/zinc/05/23/44/569052344.db2.gz HYQQQSFAZFRBSA-UHFFFAOYSA-N 0 0 417.328 4.822 50 0 HJAARN CCCOc1ccc(C=CC(=O)Nc2sc(C(C)=O)c(C)c2C(=O)OCC)cc1 ZINC000001778024 569052598 /nfs/dbraw/zinc/05/25/98/569052598.db2.gz TYPMTLSVTGVKIE-FMIVXFBMSA-N 0 0 415.511 4.877 50 0 HJAARN COc1ccc(-c2nc(NC(=O)c3ccccc3OC[C@H]3CCCO3)sc2C)cc1 ZINC000016468556 569052735 /nfs/dbraw/zinc/05/27/35/569052735.db2.gz GFTGCROGRATIDI-GOSISDBHSA-N 0 0 424.522 4.937 50 0 HJAARN CC(=O)N(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000035706825 569052797 /nfs/dbraw/zinc/05/27/97/569052797.db2.gz WGHJYWWSFFIWIQ-DEOSSOPVSA-N 0 0 419.912 4.578 50 0 HJAARN Cc1cc(C)c(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2C)c(C)c1 ZINC000006456154 569053549 /nfs/dbraw/zinc/05/35/49/569053549.db2.gz RKVPSPGGBVDRJG-UHFFFAOYSA-N 0 0 406.511 4.884 50 0 HJAARN CCSc1cc(C(=O)Nc2nc(-c3ccc(-n4cccn4)cc3)cs2)ccn1 ZINC000089275298 569053862 /nfs/dbraw/zinc/05/38/62/569053862.db2.gz CLJBGPIXHZUEEQ-UHFFFAOYSA-N 0 0 407.524 4.755 50 0 HJAARN C[C@H](NC(=O)CN1CCCC[C@H]1c1nc2ccccc2s1)c1cc2ccccc2o1 ZINC000239274871 569054059 /nfs/dbraw/zinc/05/40/59/569054059.db2.gz AUWGLUHSDQKTAB-LPHOPBHVSA-N 0 0 419.550 5.447 50 0 HJAARN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(F)cc2)c(OC)c1 ZINC000239266965 569054062 /nfs/dbraw/zinc/05/40/62/569054062.db2.gz ZZYQHTRHDYUPHY-URXFXBBRSA-N 0 0 404.441 5.085 50 0 HJAARN COc1cccc(N[C@H](CNC(=O)[C@H]2C[C@H]2c2ccccc2F)c2ccccc2)c1 ZINC000240321570 569054520 /nfs/dbraw/zinc/05/45/20/569054520.db2.gz FAKVRPOMLUOVKX-WPFOTENUSA-N 0 0 404.485 4.907 50 0 HJAARN Cc1ccc(SC2=C(Nc3cccc(O)c3)C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000001810746 569056122 /nfs/dbraw/zinc/05/61/22/569056122.db2.gz MYXXGFNFLPOYCM-UHFFFAOYSA-N 0 0 416.502 4.685 50 0 HJAARN c1ccc(C(=c2nnc(=C(c3ccccc3)c3ccccc3)o2)c2ccccc2)cc1 ZINC000001860668 569056766 /nfs/dbraw/zinc/05/67/66/569056766.db2.gz RYOGMXINIRIXAW-UHFFFAOYSA-N 0 0 400.481 4.564 50 0 HJAARN C[C@@H]1CCN(C(=O)CSc2nnc(-c3cccs3)o2)c2ccccc2S1 ZINC000006462719 569057750 /nfs/dbraw/zinc/05/77/50/569057750.db2.gz HPDQZVJLPMRPGC-GFCCVEGCSA-N 0 0 403.554 4.808 50 0 HJAARN COc1ccc(Cl)cc1-c1nc(SCC(=O)Nc2ccccc2Cl)n[nH]1 ZINC000006464163 569057812 /nfs/dbraw/zinc/05/78/12/569057812.db2.gz KZDUNKBNEPKNHU-UHFFFAOYSA-N 0 0 409.298 4.518 50 0 HJAARN CC1=C(C(=O)O[C@@H]2CC[C@H](C)[C@@H](C)C2)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 ZINC000252327551 569057865 /nfs/dbraw/zinc/05/78/65/569057865.db2.gz UVIDMRLTCLAOKX-ZZUUJNIESA-N 0 0 411.329 4.989 50 0 HJAARN O=C(COc1ccc2c(c1)oc(=O)cc2-c1ccccc1)NCc1ccc(Cl)cc1 ZINC000002146933 569060513 /nfs/dbraw/zinc/06/05/13/569060513.db2.gz DMIAMWRCWMCODB-UHFFFAOYSA-N 0 0 419.864 4.809 50 0 biogenic HJAARN CCCCN1C(=O)CC[C@H](C(=O)NC2CCCCCC2)[C@H]1c1ccc(OC)cc1 ZINC000006508695 569061910 /nfs/dbraw/zinc/06/19/10/569061910.db2.gz OJUNXKVLFVZVPY-JTHBVZDNSA-N 0 0 400.563 4.614 50 0 HJAARN O=S(=O)(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(F)c(Cl)c1 ZINC000006509952 569062030 /nfs/dbraw/zinc/06/20/30/569062030.db2.gz DUALHGQFDKZCJI-UHFFFAOYSA-N 0 0 407.879 4.656 50 0 HJAARN CN(C)c1ccc(-c2noc(CCN(C(=O)c3cccs3)C3CCCCC3)n2)cc1 ZINC000035845351 569062599 /nfs/dbraw/zinc/06/25/99/569062599.db2.gz LUIJNYPWQHWLCJ-UHFFFAOYSA-N 0 0 424.570 4.882 50 0 HJAARN COc1ccccc1CNc1c2c(nc3nc(Cc4ccc(C)cc4)nn31)CCCC2 ZINC000064449976 569062729 /nfs/dbraw/zinc/06/27/29/569062729.db2.gz GFCFWEHLUAMLSF-UHFFFAOYSA-N 0 0 413.525 4.523 50 0 HJAARN Cc1ccc(NC(=O)N2CCN(c3nc4cc(Cl)ccc4n4cccc34)CC2)cc1 ZINC000064450161 569062730 /nfs/dbraw/zinc/06/27/30/569062730.db2.gz YXPOIKPYQJGERV-UHFFFAOYSA-N 0 0 419.916 4.803 50 0 HJAARN COc1ccc(Nc2c3c(nc4nc(Cc5ccc(C)cc5)nn42)CCC3)cc1Cl ZINC000064450003 569062741 /nfs/dbraw/zinc/06/27/41/569062741.db2.gz XXIBKKCPNBUJDQ-UHFFFAOYSA-N 0 0 419.916 4.918 50 0 HJAARN CCOc1ccc(C(=O)[C@@H]2CC(=O)Nc3c2c(C)nn3-c2cccc(C)c2C)cc1 ZINC000064450216 569062814 /nfs/dbraw/zinc/06/28/14/569062814.db2.gz PUFILIPHUGGRAZ-LJQANCHMSA-N 0 0 403.482 4.505 50 0 HJAARN CC(C)NC(=O)Nc1c(N)n(-c2cc(F)ccc2F)nc1-c1ccc(Cl)cc1 ZINC000035868157 569063447 /nfs/dbraw/zinc/06/34/47/569063447.db2.gz DNVMUZVITRCASJ-UHFFFAOYSA-N 0 0 405.836 4.583 50 0 HJAARN COc1ccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccc(OC)cc32)cc1 ZINC000064474026 569063601 /nfs/dbraw/zinc/06/36/01/569063601.db2.gz XXAGQIBAOPROMQ-UHFFFAOYSA-N 0 0 405.498 4.868 50 0 HJAARN COc1ccc(NC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1Cl ZINC000006558428 569065693 /nfs/dbraw/zinc/06/56/93/569065693.db2.gz NJXMUTMXCWXJEZ-UHFFFAOYSA-N 0 0 410.857 4.509 50 0 HJAARN COc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3cccc(F)c3)cc2)cc1 ZINC000035910923 569065963 /nfs/dbraw/zinc/06/59/63/569065963.db2.gz IFBHSXIJYVXBDS-QHCPKHFHSA-N 0 0 422.481 4.865 50 0 HJAARN COc1ccccc1N1C(=O)CS[C@@H]1c1ccccc1NC(=O)c1cccc(F)c1 ZINC000035925140 569066391 /nfs/dbraw/zinc/06/63/91/569066391.db2.gz KXSJSNOGZUVIJK-HSZRJFAPSA-N 0 0 422.481 4.865 50 0 HJAARN Nc1c2c(nn1-c1ccc(F)cc1)nc(NCC1CC1)nc2-c1ccccc1Cl ZINC000035929741 569066716 /nfs/dbraw/zinc/06/67/16/569066716.db2.gz CFJCUOOAECRIGW-UHFFFAOYSA-N 0 0 408.868 4.679 50 0 HJAARN C[C@H](CCc1ccccc1)NC(=O)c1cnn2c1nccc2-c1ccc(Cl)cc1 ZINC000035933126 569066734 /nfs/dbraw/zinc/06/67/34/569066734.db2.gz ZUDPMKQDYJJOOO-MRXNPFEDSA-N 0 0 404.901 4.801 50 0 HJAARN Cc1cccc(NC(=O)N2CCc3c(c(COCc4ccc(Cl)cc4)nn3C)C2)c1 ZINC000064565855 569067114 /nfs/dbraw/zinc/06/71/14/569067114.db2.gz VKNHMVKXTPIPFK-UHFFFAOYSA-N 0 0 424.932 4.689 50 0 HJAARN CC(=O)N1N=C(c2ccccc2F)O[C@@H]1c1cccc(NC(=O)c2ccc(C)cc2)c1 ZINC000064567842 569067431 /nfs/dbraw/zinc/06/74/31/569067431.db2.gz DDVLZRLQBBQDMU-XMMPIXPASA-N 0 0 417.440 4.626 50 0 HJAARN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NCCCN(C)c3ccccc3)cc12 ZINC000064567929 569067519 /nfs/dbraw/zinc/06/75/19/569067519.db2.gz NUTUGXSSCMODNB-UHFFFAOYSA-N 0 0 422.529 4.791 50 0 HJAARN COC(=O)c1ccc(NC(=O)c2cc(N3CCCCC3)c3cc(C)ccc3n2)cc1 ZINC000064568333 569067562 /nfs/dbraw/zinc/06/75/62/569067562.db2.gz BVMOWKZBXFNQAD-UHFFFAOYSA-N 0 0 403.482 4.572 50 0 HJAARN COCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C(=O)C1CC1 ZINC000035976959 569069692 /nfs/dbraw/zinc/06/96/92/569069692.db2.gz YGUGQFXTDDNISR-UHFFFAOYSA-N 0 0 419.525 4.666 50 0 HJAARN Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)Nc1ccnc(C)c1C ZINC000089556253 569070143 /nfs/dbraw/zinc/07/01/43/569070143.db2.gz SYBCHSCKANXEMG-UHFFFAOYSA-N 0 0 402.420 4.701 50 0 HJAARN CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2cc(C)n(CCc3ccccc3)c2C)c1C ZINC000006608630 569071881 /nfs/dbraw/zinc/07/18/81/569071881.db2.gz WSGIZTSPKCRWMR-UHFFFAOYSA-N 0 0 420.509 4.535 50 0 HJAARN Cc1ccc(NC(=S)N[C@H](NC(=O)CC(C)(C)C)C(Cl)(Cl)Cl)cc1 ZINC000005740384 569071997 /nfs/dbraw/zinc/07/19/97/569071997.db2.gz IMCXDRYBYDXPPL-ZDUSSCGKSA-N 0 0 410.798 4.530 50 0 HJAARN Cc1cccc(NC(=S)N[C@H](NC(=O)CC(C)(C)C)C(Cl)(Cl)Cl)c1 ZINC000005571207 569072001 /nfs/dbraw/zinc/07/20/01/569072001.db2.gz DOANGPUWEMNQED-ZDUSSCGKSA-N 0 0 410.798 4.530 50 0 HJAARN C/C=C/CN(C(=O)c1csc2c1CCN(Cc1c(C)noc1C)C2)[C@@H](C)CC ZINC000426374472 569072561 /nfs/dbraw/zinc/07/25/61/569072561.db2.gz ZOOWLTVNBFEZEU-VFADXPBXSA-N 0 0 401.576 4.728 50 0 HJAARN O=C(c1onc2c1CCCC2)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccccc1F ZINC000426589739 569073495 /nfs/dbraw/zinc/07/34/95/569073495.db2.gz HPQISZCROPVOLL-QHCPKHFHSA-N 0 0 415.468 4.962 50 0 HJAARN Cc1cccc(-c2ncc(C(=O)N[C@@H](C)c3ccccc3)c(N3CCCCC3)n2)c1 ZINC000035988592 569074346 /nfs/dbraw/zinc/07/43/46/569074346.db2.gz KDXQXQCLBYUANO-IBGZPJMESA-N 0 0 400.526 4.933 50 0 HJAARN O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)NC1CCCCCC1 ZINC000006623613 569075158 /nfs/dbraw/zinc/07/51/58/569075158.db2.gz FNMKYKLQLSDWSB-UHFFFAOYSA-N 0 0 412.584 4.927 50 0 HJAARN Cc1coc2c1cc1c(C)c(CCC(=O)NCCc3ccsc3)c(=O)oc1c2C ZINC000006624092 569075464 /nfs/dbraw/zinc/07/54/64/569075464.db2.gz PFDZCYKYJBHVNF-UHFFFAOYSA-N 0 0 409.507 4.817 50 0 biogenic HJAARN CC1CCN(C(=O)c2cnc(-c3ccc(F)cc3)nc2N(C)c2ccccc2)CC1 ZINC000036003147 569075562 /nfs/dbraw/zinc/07/55/62/569075562.db2.gz HWOFKTREZUSHPG-UHFFFAOYSA-N 0 0 404.489 4.923 50 0 HJAARN COc1ccc(OC)c(-c2cc(CN(Cc3ccco3)C(=O)c3ccccc3)no2)c1 ZINC000036011853 569075720 /nfs/dbraw/zinc/07/57/20/569075720.db2.gz MPIXKFZAGBPKHC-UHFFFAOYSA-N 0 0 418.449 4.794 50 0 HJAARN COc1ccc(OC)c(-c2cc(CN(CC(C)C)C(=O)c3cccc(F)c3)no2)c1 ZINC000036012158 569075762 /nfs/dbraw/zinc/07/57/62/569075762.db2.gz QVHOBCAFXYXYHN-UHFFFAOYSA-N 0 0 412.461 4.796 50 0 HJAARN COc1ccc(C(=O)N(Cc2cc(-c3ccc(F)cc3)on2)Cc2ccco2)cc1 ZINC000036004574 569075905 /nfs/dbraw/zinc/07/59/05/569075905.db2.gz OLIXRPZRGMAAFR-UHFFFAOYSA-N 0 0 406.413 4.925 50 0 HJAARN CCOC(=O)c1cc2ccsc2n1CC(=O)Nc1ccc(C)cc1Br ZINC000064659367 569077843 /nfs/dbraw/zinc/07/78/43/569077843.db2.gz KVNZUJBGGNLGTP-UHFFFAOYSA-N 0 0 421.316 4.589 50 0 HJAARN CCOC(=O)c1cc2ccsc2n1[C@@H](CC)C(=O)Nc1cc(C)ccc1OC ZINC000064658990 569077657 /nfs/dbraw/zinc/07/76/57/569077657.db2.gz APTUJWCMEXDHJL-INIZCTEOSA-N 0 0 400.500 4.786 50 0 HJAARN CCOc1ccc(-c2nc3c(s2)CN(C(=O)NCc2ccc(C)cc2)CC3)cc1 ZINC000064659912 569077818 /nfs/dbraw/zinc/07/78/18/569077818.db2.gz IJCCMYKVJGCDSK-UHFFFAOYSA-N 0 0 407.539 4.785 50 0 HJAARN Cc1ccccc1NC(=O)Cn1cnc2c(-c3ccc(Cl)cc3)csc2c1=O ZINC000064667560 569078439 /nfs/dbraw/zinc/07/84/39/569078439.db2.gz TWIYBPDFTUBZQA-UHFFFAOYSA-N 0 0 409.898 4.726 50 0 HJAARN Cc1c(S(=O)(=O)N2CCCCCC2)cc(-c2nc(-c3ccccc3)cs2)n1C ZINC000064668060 569078586 /nfs/dbraw/zinc/07/85/86/569078586.db2.gz LFTYKMMIOYCZFS-UHFFFAOYSA-N 0 0 415.584 4.689 50 0 HJAARN Cc1ccc(CN2c3ccc(C)cc3OC[C@H]2CC(=O)NCc2ccccc2)cc1 ZINC000064663591 569079721 /nfs/dbraw/zinc/07/97/21/569079721.db2.gz AFNWJAYOPMQYOW-HSZRJFAPSA-N 0 0 400.522 4.778 50 0 HJAARN Cc1nc2cc(C(=O)OCC(=O)Nc3cccc(C)c3C)ccc2n1-c1ccccc1 ZINC000006649139 569079976 /nfs/dbraw/zinc/07/99/76/569079976.db2.gz QIOFLILJKKJYLG-UHFFFAOYSA-N 0 0 413.477 4.746 50 0 HJAARN Cc1ccc(-c2cn3c(CC(=O)NCCCc4ccccc4)csc3n2)cc1C ZINC000064676249 569080406 /nfs/dbraw/zinc/08/04/06/569080406.db2.gz HEQGFYPPNSOJHH-UHFFFAOYSA-N 0 0 403.551 4.971 50 0 HJAARN Cc1ccc(Cl)cc1NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12 ZINC000006647901 569080782 /nfs/dbraw/zinc/08/07/82/569080782.db2.gz KVULNZWOHXBYAJ-UHFFFAOYSA-N 0 0 401.706 4.729 50 0 HJAARN Cc1ccccc1[C@H]1CN(C(=O)c2cccc(Cl)c2)C[C@@H]1C(=O)NCCC(C)C ZINC000036055058 569083071 /nfs/dbraw/zinc/08/30/71/569083071.db2.gz MDZMRPCUCOVLHK-YADHBBJMSA-N 0 0 412.961 4.667 50 0 HJAARN CC[C@@H](C)N(Cc1nc(C(=O)NCc2ccco2)co1)Cc1cccc(Cl)c1 ZINC000036063794 569085629 /nfs/dbraw/zinc/08/56/29/569085629.db2.gz ULMXZCNOMGSUSU-OAHLLOKOSA-N 0 0 401.894 4.652 50 0 HJAARN CC[C@@H](C)NC(=O)c1coc(CN(Cc2ccc(C)cc2)Cc2ccc(F)cc2)n1 ZINC000036068534 569085875 /nfs/dbraw/zinc/08/58/75/569085875.db2.gz UOESWFSIMIYYOO-GOSISDBHSA-N 0 0 409.505 4.853 50 0 HJAARN CCNC(=O)c1coc(CN(Cc2ccc(F)cc2)Cc2ccc(C(C)C)cc2)n1 ZINC000036072378 569086446 /nfs/dbraw/zinc/08/64/46/569086446.db2.gz XHYZSSHXTKMSBB-UHFFFAOYSA-N 0 0 409.505 4.889 50 0 HJAARN Cc1cccc(CN2CCCN(c3ccc(C(=O)N4CCCCCC4)cc3)C2=O)c1 ZINC000064743373 569087954 /nfs/dbraw/zinc/08/79/54/569087954.db2.gz AHKHJMIWNYVOBR-UHFFFAOYSA-N 0 0 405.542 4.844 50 0 HJAARN Cc1ccc(C)c(C(=O)Nc2ccc3nc(S(=O)(=O)CC(C)C)sc3c2)c1 ZINC000064747881 569089095 /nfs/dbraw/zinc/08/90/95/569089095.db2.gz RPWOZRNJOYEHET-UHFFFAOYSA-N 0 0 402.541 4.595 50 0 HJAARN O=C(c1cccs1)N(Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000006695361 569091634 /nfs/dbraw/zinc/09/16/34/569091634.db2.gz IMWMAOQHACGUQD-IBGZPJMESA-N 0 0 412.461 4.862 50 0 HJAARN CC(C)NC(=O)N(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000006696432 569091958 /nfs/dbraw/zinc/09/19/58/569091958.db2.gz DHHRZKXFNOUKHU-IBGZPJMESA-N 0 0 403.885 4.592 50 0 HJAARN O[C@@H](COc1ccccc1)CN(Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000036104186 569092366 /nfs/dbraw/zinc/09/23/66/569092366.db2.gz IFHSYLWHGGLEPP-OAQYLSRUSA-N 0 0 401.428 4.546 50 0 HJAARN COCCCN(Cc1csc(COc2ccc(Cl)cc2)n1)C(=O)C1CCCC1 ZINC000036105601 569092868 /nfs/dbraw/zinc/09/28/68/569092868.db2.gz PPKOVDCYDRRIFR-UHFFFAOYSA-N 0 0 422.978 4.931 50 0 HJAARN COCCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1cccs1 ZINC000036107191 569093321 /nfs/dbraw/zinc/09/33/21/569093321.db2.gz IECIHJFKHHFEIS-UHFFFAOYSA-N 0 0 416.568 4.689 50 0 HJAARN O=C(NCc1ccc2c(c1)N(C(=O)c1ccccc1)CC2)Nc1ccc(Cl)cc1 ZINC000064775746 569093593 /nfs/dbraw/zinc/09/35/93/569093593.db2.gz MDEIVAXFBJZJRC-UHFFFAOYSA-N 0 0 405.885 4.865 50 0 HJAARN CC[C@@H](C)N(Cc1csc(COc2c(OC)cccc2OC)n1)C(=O)CC(C)C ZINC000036114946 569094123 /nfs/dbraw/zinc/09/41/23/569094123.db2.gz 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CCOC(=O)COc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)C3CCC3)cc21 ZINC000065034254 569157999 /nfs/dbraw/zinc/15/79/99/569157999.db2.gz ACNMEASUUZXSCA-UHFFFAOYSA-N 0 0 422.456 4.721 50 0 HJAARN CCOC(=O)COc1cc(-c2ccccc2)nc2ccc(NC(=O)C3CCC3)cc21 ZINC000065034294 569158042 /nfs/dbraw/zinc/15/80/42/569158042.db2.gz ALCAERSKJDFYHK-UHFFFAOYSA-N 0 0 404.466 4.582 50 0 HJAARN CCC(=O)N(Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000006870314 569160319 /nfs/dbraw/zinc/16/03/19/569160319.db2.gz GFDGWLKTVYZQQC-SFHVURJKSA-N 0 0 408.395 4.776 50 0 HJAARN Cc1ccc(C)c(C(=O)N[C@@H]2CCCN(c3cc(-c4ccc(Cl)cc4)[nH]n3)C2)c1 ZINC000169753469 569160656 /nfs/dbraw/zinc/16/06/56/569160656.db2.gz YDTKFUTVLBERND-LJQANCHMSA-N 0 0 408.933 4.746 50 0 HJAARN COc1ccc(NC(=O)c2cc3n(n2)C[C@H](c2ccc(Cl)cc2)OC3)cc1Cl ZINC000169759791 569161836 /nfs/dbraw/zinc/16/18/36/569161836.db2.gz HAXKWJZSIVQFQN-LJQANCHMSA-N 0 0 418.280 4.722 50 0 HJAARN CCNC(=O)N(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccccc2C)=NO1 ZINC000006871548 569161992 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Cc1nc2ncccc2c(=O)n1-c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000007509125 569243604 /nfs/dbraw/zinc/24/36/04/569243604.db2.gz BWELOZJPTQGXBM-UHFFFAOYSA-N 0 0 412.493 4.639 50 0 HJAARN COC(=O)C[C@@](C)(NC(=O)Nc1ccc(SC(C)(C)C)cc1C)c1ccncc1 ZINC000170609720 569245075 /nfs/dbraw/zinc/24/50/75/569245075.db2.gz ZVXGAVBJPUPGEI-JOCHJYFZSA-N 0 0 415.559 4.881 50 0 HJAARN COC(=O)C[C@](C)(NC(=O)Nc1ccc(SC(C)(C)C)cc1C)c1ccncc1 ZINC000170609719 569245079 /nfs/dbraw/zinc/24/50/79/569245079.db2.gz ZVXGAVBJPUPGEI-QFIPXVFZSA-N 0 0 415.559 4.881 50 0 HJAARN CCC(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1cc2cccc(OC)c2nc1Cl ZINC000170612536 569246429 /nfs/dbraw/zinc/24/64/29/569246429.db2.gz QJQROFSDDLLCAN-IBGZPJMESA-N 0 0 423.900 4.993 50 0 HJAARN COc1cccc([C@@H]2CC(c3cc(OC)cc(OC)c3)=NN2C(=O)c2ccccc2)c1 ZINC000170615700 569247305 /nfs/dbraw/zinc/24/73/05/569247305.db2.gz QXMRJNYWSKEULX-DEOSSOPVSA-N 0 0 416.477 4.704 50 0 HJAARN COc1cccc([C@@H]2CC(c3cc(OC)cc(OC)c3)=NN2C(=O)c2cccs2)c1 ZINC000170615625 569247383 /nfs/dbraw/zinc/24/73/83/569247383.db2.gz SFUKVRUJXGXWJH-NRFANRHFSA-N 0 0 422.506 4.765 50 0 HJAARN Cc1ccc(C(=O)CCN2C[C@@H](C)N(CCC(=O)c3ccc(C)cc3)[C@@H](C)C2)cc1 ZINC000170618469 569247996 /nfs/dbraw/zinc/24/79/96/569247996.db2.gz YGUHZZJJIOMHCY-SZPZYZBQSA-N 0 0 406.570 4.544 50 0 HJAARN COc1ccc(Cl)cc1-c1nc(SCc2nc(-c3ccsc3)no2)n[nH]1 ZINC000007553584 569249166 /nfs/dbraw/zinc/24/91/66/569249166.db2.gz SVUJFVPMCNQMGG-UHFFFAOYSA-N 0 0 405.892 4.538 50 0 HJAARN COc1ccc(-c2ccc(C(=O)N3CC[C@H](Nc4ccccc4)C3)c(F)c2)c(F)c1 ZINC000170623057 569249664 /nfs/dbraw/zinc/24/96/64/569249664.db2.gz OTSMAJIBGNJBHL-SFHVURJKSA-N 0 0 408.448 4.967 50 0 HJAARN CC(C)(C)c1ncc(C(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)s1 ZINC000170624027 569249937 /nfs/dbraw/zinc/24/99/37/569249937.db2.gz GSZYENCZPMPTKU-UHFFFAOYSA-N 0 0 412.584 4.979 50 0 HJAARN Cc1cc(NC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)ccc1N1C(=O)CCC1=O ZINC000170626269 569250398 /nfs/dbraw/zinc/25/03/98/569250398.db2.gz CSENLVJWKLIAEL-UHFFFAOYSA-N 0 0 416.264 4.689 50 0 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414.571 4.531 50 0 HJAARN CS(=O)(=O)Cc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2Cl)cc1 ZINC000014602186 569260566 /nfs/dbraw/zinc/26/05/66/569260566.db2.gz HIHYXFUAZUHXAW-UHFFFAOYSA-N 0 0 400.883 4.771 50 0 HJAARN Cc1onc(-c2ccccc2)c1C(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C ZINC000014636288 569261191 /nfs/dbraw/zinc/26/11/91/569261191.db2.gz ZHKIHFBDERKUEA-QFIPXVFZSA-N 0 0 406.482 4.938 50 0 HJAARN Cc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)c(Cl)c1 ZINC000014669221 569262460 /nfs/dbraw/zinc/26/24/60/569262460.db2.gz RIYCYIWWSNUVEZ-AWEZNQCLSA-N 0 0 420.962 4.630 50 0 HJAARN Cc1oc(-c2ccccc2)nc1Cn1ccn2nc(-c3ccc(C)c(C)c3)cc2c1=O ZINC000016840046 569264440 /nfs/dbraw/zinc/26/44/40/569264440.db2.gz MRQXHTIFOPMMKH-UHFFFAOYSA-N 0 0 410.477 4.792 50 0 HJAARN O=C(CCc1csc(NC(=O)NC2CCCCC2)n1)Nc1ccc(F)c(Cl)c1 ZINC000016849291 569265546 /nfs/dbraw/zinc/26/55/46/569265546.db2.gz IPOOLALGSDLMDZ-UHFFFAOYSA-N 0 0 424.929 4.961 50 0 HJAARN CC[C@](C)(NC(=O)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1)c1nccs1 ZINC000089942124 569269368 /nfs/dbraw/zinc/26/93/68/569269368.db2.gz UAHLDFGEMSETEZ-IBGZPJMESA-N 0 0 402.907 4.803 50 0 HJAARN CSc1ccccc1NC(=O)CCc1csc(NC(=O)NC2CCCCC2)n1 ZINC000016978768 569270286 /nfs/dbraw/zinc/27/02/86/569270286.db2.gz IKUKFUJUPFKJLF-UHFFFAOYSA-N 0 0 418.588 4.891 50 0 HJAARN COc1ccc(-c2cn3c(C)c(C(=O)Nc4ccc(OC)cc4OC)sc3n2)cc1 ZINC000016992522 569270715 /nfs/dbraw/zinc/27/07/15/569270715.db2.gz YDQAURIOBWSZPY-UHFFFAOYSA-N 0 0 423.494 4.649 50 0 HJAARN COc1ccc(C(=O)Nc2nc(CC(=O)Nc3cc(Cl)ccc3C)cs2)cc1 ZINC000017121283 569275087 /nfs/dbraw/zinc/27/50/87/569275087.db2.gz IHIDQXVGNIQCCA-UHFFFAOYSA-N 0 0 415.902 4.547 50 0 HJAARN Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)/C=C\c1ccccc1)CC(=O)N2 ZINC000017121730 569275113 /nfs/dbraw/zinc/27/51/13/569275113.db2.gz UOTADNJIJNELJW-MTAGHISXSA-N 0 0 400.453 4.718 50 0 HJAARN CCCCCc1c([O-])nc(SCC[NH+](CCC)CCC)n(-c2ccccc2)c1=O ZINC000017145544 569275409 /nfs/dbraw/zinc/27/54/09/569275409.db2.gz OOKMYMZUJVULDS-UHFFFAOYSA-N 0 0 417.619 4.885 50 0 HJAARN O=C(NCc1c(-c2ccc(Cl)cc2)nc2n1CCS2)c1ccc(F)cc1F ZINC000017156500 569275954 /nfs/dbraw/zinc/27/59/54/569275954.db2.gz LDGFXSXAAASGKV-UHFFFAOYSA-N 0 0 405.857 4.517 50 0 HJAARN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)C(=O)Nc2nc(-c3ccccc3F)cs2)C1 ZINC000170634779 569276197 /nfs/dbraw/zinc/27/61/97/569276197.db2.gz UPLITLROELVYKX-JKSUJKDBSA-N 0 0 423.513 4.601 50 0 HJAARN Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)C(=O)Nc2nc(-c3ccccc3F)cs2)C1 ZINC000170634781 569276253 /nfs/dbraw/zinc/27/62/53/569276253.db2.gz UPLITLROELVYKX-HOTGVXAUSA-N 0 0 423.513 4.601 50 0 HJAARN Nc1c2c(nn1-c1ccc(Cl)cc1)nc(NC1CC1)nc2-c1cccc(Cl)c1 ZINC000037359624 569278435 /nfs/dbraw/zinc/27/84/35/569278435.db2.gz MKAPICHLVWNYCJ-UHFFFAOYSA-N 0 0 411.296 4.946 50 0 HJAARN CC(=O)c1ccc(NC(=O)COc2ccc3c(c2)oc(=O)cc3-c2ccccc2)cc1 ZINC000002091687 569280319 /nfs/dbraw/zinc/28/03/19/569280319.db2.gz PQVIPJSHSHJINY-UHFFFAOYSA-N 0 0 413.429 4.680 50 0 biogenic HJAARN Cc1cc(=O)oc2c(C)c(OC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)ccc12 ZINC000002092055 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4.785 50 0 HJAARN O=C(c1ccco1)N(CCc1nc(-c2cccc(Cl)c2)no1)CCc1ccccc1 ZINC000037380320 569294856 /nfs/dbraw/zinc/29/48/56/569294856.db2.gz GYRDUPXKSHUMPU-UHFFFAOYSA-N 0 0 421.884 4.911 50 0 HJAARN Cc1cccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)c1C ZINC000007615990 569295789 /nfs/dbraw/zinc/29/57/89/569295789.db2.gz LIGCQIOGBMXKAN-UHFFFAOYSA-N 0 0 417.896 4.972 50 0 HJAARN O=C(C1CC1)N(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000037440581 569299595 /nfs/dbraw/zinc/29/95/95/569299595.db2.gz SWEGFGUDMIJIFU-IBGZPJMESA-N 0 0 420.406 4.776 50 0 HJAARN Cc1cccc(-c2noc([C@H]3CCCN3S(=O)(=O)c3ccc4ccccc4c3)n2)c1 ZINC000007669688 569299849 /nfs/dbraw/zinc/29/98/49/569299849.db2.gz SVVXTJBUMNWXAZ-OAQYLSRUSA-N 0 0 419.506 4.724 50 0 HJAARN COc1ccc(CCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1OC ZINC000007688580 569300880 /nfs/dbraw/zinc/30/08/80/569300880.db2.gz DKVAOIMZIYDGAH-UHFFFAOYSA-N 0 0 404.438 4.677 50 0 HJAARN CN(CC(=O)Nc1ccc(OCc2ccccc2)cc1)Cc1nc2ccccc2s1 ZINC000007688834 569300884 /nfs/dbraw/zinc/30/08/84/569300884.db2.gz GZUNCECHJQNNET-UHFFFAOYSA-N 0 0 417.534 4.946 50 0 HJAARN O=C(Nc1ccccc1C(=O)NC1CC1)c1ccccc1OCc1ccc(F)cc1 ZINC000007717738 569301931 /nfs/dbraw/zinc/30/19/31/569301931.db2.gz AQYWKXVSMRTEHP-UHFFFAOYSA-N 0 0 404.441 4.549 50 0 HJAARN COc1cc(OC)c(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)cc1Cl ZINC000007724371 569302804 /nfs/dbraw/zinc/30/28/04/569302804.db2.gz WPDSPTPXYQWNAM-UHFFFAOYSA-N 0 0 415.873 5.000 50 0 HJAARN C[C@@H]1C(=O)N(c2ccc(F)c(Cl)c2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000037520317 569302820 /nfs/dbraw/zinc/30/28/20/569302820.db2.gz XEJFXHNNDODSJH-SNVBAGLBSA-N 0 0 415.679 4.663 50 0 HJAARN Cc1cc2c(cc(C(=O)NCC3CC3)n2Cc2ccc(Br)cc2)s1 ZINC000037525965 569304076 /nfs/dbraw/zinc/30/40/76/569304076.db2.gz RNUCGEVIVQEEOT-UHFFFAOYSA-N 0 0 403.345 4.962 50 0 HJAARN Cc1cc(C(=O)NC2(c3cccc(Br)c3)CCOCC2)c(C)n1C1CC1 ZINC000065936206 569304316 /nfs/dbraw/zinc/30/43/16/569304316.db2.gz JYDXKYVOZLXMDO-UHFFFAOYSA-N 0 0 417.347 4.638 50 0 HJAARN COc1ccc(Br)c(C(=O)OCc2csc(-c3ccsc3)n2)c1 ZINC000007734798 569304577 /nfs/dbraw/zinc/30/45/77/569304577.db2.gz JPYNABWJIWBRMH-UHFFFAOYSA-N 0 0 410.314 5.000 50 0 HJAARN CC(C)C(=O)Nc1sc2c(c1C(=O)OCC(=O)c1cccc(Cl)c1)CCC2 ZINC000007737163 569304731 /nfs/dbraw/zinc/30/47/31/569304731.db2.gz CFUTVQOAGMBHAQ-UHFFFAOYSA-N 0 0 405.903 4.524 50 0 HJAARN O=C(NCC1CC1)c1cc2scc(Br)c2n1Cc1cccc(F)c1 ZINC000037545082 569305517 /nfs/dbraw/zinc/30/55/17/569305517.db2.gz RZDRGPMUAPLGGY-UHFFFAOYSA-N 0 0 407.308 4.793 50 0 HJAARN Cc1nn(-c2ccc(F)cc2)c(Oc2ccc(C)cc2)c1CCC(=O)NCC1CC1 ZINC000037547112 569305672 /nfs/dbraw/zinc/30/56/72/569305672.db2.gz PZPHDHGEVNHILB-UHFFFAOYSA-N 0 0 407.489 4.879 50 0 HJAARN COc1cccc(Cn2c(C(=O)NCC3CC3)cc3sc(Br)cc32)c1 ZINC000037542145 569305708 /nfs/dbraw/zinc/30/57/08/569305708.db2.gz RGXKIOUATIYZEJ-UHFFFAOYSA-N 0 0 419.344 4.662 50 0 HJAARN Cc1ccc2nc(CSc3nnc(Nc4cccc(C)c4C)s3)cc(=O)n2c1 ZINC000007742187 569306043 /nfs/dbraw/zinc/30/60/43/569306043.db2.gz SJCOCIUZJYINIU-UHFFFAOYSA-N 0 0 409.540 4.507 50 0 HJAARN O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2cccc(F)c2)cc1)N1CCCC1 ZINC000037556566 569306340 /nfs/dbraw/zinc/30/63/40/569306340.db2.gz COFSLOZDLPWGDR-UHFFFAOYSA-N 0 0 416.496 4.838 50 0 HJAARN CCCCCOC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc21 ZINC000002210999 569307211 /nfs/dbraw/zinc/30/72/11/569307211.db2.gz DOSQYUBQAHLEDH-UHFFFAOYSA-N 0 0 418.497 4.571 50 0 HJAARN O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1ccc(Cl)cc1F ZINC000007763539 569307704 /nfs/dbraw/zinc/30/77/04/569307704.db2.gz ZYLQFYMTGAZBNM-UHFFFAOYSA-N 0 0 408.911 4.865 50 0 HJAARN O=C(COc1ccc2ccc(=O)oc2c1)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000007767362 569308167 /nfs/dbraw/zinc/30/81/67/569308167.db2.gz PRZARIUQAHFAKG-UHFFFAOYSA-N 0 0 409.457 4.672 50 0 HJAARN Cn1ccnc1SCC(=O)Nc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 ZINC000007774474 569308467 /nfs/dbraw/zinc/30/84/67/569308467.db2.gz SVSSQQSESBSNFL-UHFFFAOYSA-N 0 0 416.506 4.556 50 0 HJAARN C[C@@H](OC(=O)c1oc2ccccc2c1COc1ccccc1)C(=O)N1CCC(C)CC1 ZINC000007777919 569308794 /nfs/dbraw/zinc/30/87/94/569308794.db2.gz IWANXZSWQQLGNW-GOSISDBHSA-N 0 0 421.493 4.816 50 0 HJAARN CCNC(=O)[C@H](CC)Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)CC(C)C)CC2 ZINC000037601913 569309315 /nfs/dbraw/zinc/30/93/15/569309315.db2.gz GDUMJAAPNOZYKG-ZCYQVOJMSA-N 0 0 422.569 4.500 50 0 HJAARN CCOc1ccc2oc(C(=O)OCC(=O)Nc3ccc(N(CC)CC)cc3)c(C)c2c1 ZINC000007780449 569309654 /nfs/dbraw/zinc/30/96/54/569309654.db2.gz VZYLZLAPOYDIMN-UHFFFAOYSA-N 0 0 424.497 4.782 50 0 HJAARN Cc1onc(-c2ccccc2)c1C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000007781396 569309950 /nfs/dbraw/zinc/30/99/50/569309950.db2.gz ZSYOLMLUCROOMH-UHFFFAOYSA-N 0 0 413.359 4.502 50 0 HJAARN Cc1cccc(Oc2cc(N3CCN(C(=O)c4ccc(Cl)cc4)[C@@H](C)C3)ncn2)c1 ZINC000037623817 569310577 /nfs/dbraw/zinc/31/05/77/569310577.db2.gz DCQQSXAGTVIGIT-KRWDZBQOSA-N 0 0 422.916 4.582 50 0 HJAARN COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000195529336 569311974 /nfs/dbraw/zinc/31/19/74/569311974.db2.gz SPLRYQBIIXAWSV-JZXOWHBKSA-N 0 0 415.452 4.563 50 0 HJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc(C3CC3)nc3ccccc32)c1C ZINC000007822033 569313049 /nfs/dbraw/zinc/31/30/49/569313049.db2.gz FKOUGHNWJBLPRY-OAHLLOKOSA-N 0 0 404.466 4.688 50 0 HJAARN Cc1ccc(CN(C)C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)c(C)c1 ZINC000007826638 569313407 /nfs/dbraw/zinc/31/34/07/569313407.db2.gz DCVQMSARZSGQLP-UHFFFAOYSA-N 0 0 414.962 4.503 50 0 HJAARN O=C(Nc1ccc(F)cc1)[C@@H](Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000007848265 569314531 /nfs/dbraw/zinc/31/45/31/569314531.db2.gz JMKWEAIIORMWLX-QHCPKHFHSA-N 0 0 403.457 4.744 50 0 HJAARN CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CN1CCC[C@@H]1c1cccn1C ZINC000007855502 569314685 /nfs/dbraw/zinc/31/46/85/569314685.db2.gz KSVORZWBBDBETD-OAQYLSRUSA-N 0 0 411.933 4.734 50 0 HJAARN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2C2CC2)c1C ZINC000007855477 569314743 /nfs/dbraw/zinc/31/47/43/569314743.db2.gz XQQSXKMXKHWLLM-CYBMUJFWSA-N 0 0 414.556 4.853 50 0 HJAARN COc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)c(OC)c1OC ZINC000007883998 569315142 /nfs/dbraw/zinc/31/51/42/569315142.db2.gz WTNJBFRZTCELLG-DEOSSOPVSA-N 0 0 418.493 4.788 50 0 HJAARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCCCCC2)cc1OC ZINC000007912493 569321663 /nfs/dbraw/zinc/32/16/63/569321663.db2.gz OEESSLZVTXFOSJ-UHFFFAOYSA-N 0 0 405.498 4.573 50 0 HJAARN CCOc1ccccc1C(=O)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccc(F)cc1 ZINC000002724675 569322442 /nfs/dbraw/zinc/32/24/42/569322442.db2.gz ZFMDNJOCIKCJCX-HSZRJFAPSA-N 0 0 422.431 4.547 50 0 HJAARN COc1cc2c(cc1OC)-c1cc(Oc3cc(Cl)ccc3Cl)nc(=O)n1CC2 ZINC000002239341 569322647 /nfs/dbraw/zinc/32/26/47/569322647.db2.gz OJXHMBMMAQBMEU-UHFFFAOYSA-N 0 0 419.264 4.583 50 0 HJAARN CCOc1ccc([C@H]2c3cccn3CCN2C(=S)Nc2ccccc2OC)cc1 ZINC000003582706 569323055 /nfs/dbraw/zinc/32/30/55/569323055.db2.gz MAZLXLUGGSOCST-QFIPXVFZSA-N 0 0 407.539 4.697 50 0 HJAARN CC(C)Oc1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 ZINC000003560544 569323150 /nfs/dbraw/zinc/32/31/50/569323150.db2.gz YWLUFLLOUYLACP-UHFFFAOYSA-N 0 0 407.539 4.741 50 0 HJAARN COc1cc(OC)c(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1Cl ZINC000002251006 569323944 /nfs/dbraw/zinc/32/39/44/569323944.db2.gz VGHXJVHWZXCYNM-UHFFFAOYSA-N 0 0 406.829 4.899 50 0 HJAARN COc1ccccc1[C@H]1c2c(oc3ccccc3c2=O)C(=O)N1c1nc(C)c(C)s1 ZINC000002258182 569324939 /nfs/dbraw/zinc/32/49/39/569324939.db2.gz MVXYPLGTJSADJY-IBGZPJMESA-N 0 0 418.474 4.625 50 0 HJAARN COc1ccc(-c2nc3ccccc3c(=O)n2-c2ccccc2Br)cc1 ZINC000002264902 569325569 /nfs/dbraw/zinc/32/55/69/569325569.db2.gz RLNACROKKMBZRF-UHFFFAOYSA-N 0 0 407.267 4.824 50 0 HJAARN CC(C)CCNC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc12 ZINC000002265678 569325677 /nfs/dbraw/zinc/32/56/77/569325677.db2.gz SYOMGVIEUMBNIS-UHFFFAOYSA-N 0 0 407.905 4.585 50 0 HJAARN CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@@H](C(C)C)OC3 ZINC000002269097 569325955 /nfs/dbraw/zinc/32/59/55/569325955.db2.gz KZCFVTCBBGNQRL-INIZCTEOSA-N 0 0 400.569 4.965 50 0 HJAARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)c(Cl)c2)N2C(=O)[C@H](C)SC2=N1 ZINC000002256383 569326289 /nfs/dbraw/zinc/32/62/89/569326289.db2.gz WVKQZNGKFUZXKK-BONVTDFDSA-N 0 0 413.326 4.594 50 0 HJAARN COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccccc2)c1 ZINC000026771774 569357653 /nfs/dbraw/zinc/35/76/53/569357653.db2.gz ROXJCVJZPAJKGV-MNUWPZSJSA-N 0 0 421.537 4.612 50 0 biogenic HJAARN O=C(Nn1c(=O)c2ccccc2nc1-c1cccs1)c1ccc(Cl)c(Cl)c1 ZINC000027528034 569364100 /nfs/dbraw/zinc/36/41/00/569364100.db2.gz PEQIEDHLMTWCHI-UHFFFAOYSA-N 0 0 416.289 4.816 50 0 HJAARN COc1ccc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccccc5)coc4c32)cc1O ZINC000253395659 569365135 /nfs/dbraw/zinc/36/51/35/569365135.db2.gz AMZRPWXKUDAIPQ-QGZVFWFLSA-N 0 0 414.413 4.615 50 0 biogenic HJAARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCn1ccc2cccc(OC)c21 ZINC000253406320 569365983 /nfs/dbraw/zinc/36/59/83/569365983.db2.gz IVAPOHXRSOQPLF-NRFANRHFSA-N 0 0 417.509 4.724 50 0 biogenic HJAARN CC1CCN(c2nnc(SCc3csc(Cl)n3)n2Cc2ccco2)CC1 ZINC000253425772 569368179 /nfs/dbraw/zinc/36/81/79/569368179.db2.gz HHMZIRXKHSZBMX-UHFFFAOYSA-N 0 0 409.968 4.558 50 0 HJAARN COc1ccc([C@@H]2Nc3cc(OC)c(OC)cc3C(=O)N2c2ccc(C)cc2)cc1 ZINC000002292013 569369248 /nfs/dbraw/zinc/36/92/48/569369248.db2.gz QFAGWYDVVVIYHT-HSZRJFAPSA-N 0 0 404.466 4.792 50 0 HJAARN CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1coc3ccccc3c1=O)NC2 ZINC000054979036 569372979 /nfs/dbraw/zinc/37/29/79/569372979.db2.gz TYSGOOQFEPLJAB-XMMPIXPASA-N 0 0 416.477 4.574 50 0 HJAARN CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1ccc(OC)c(C)c1OC)NC2 ZINC000055028113 569375732 /nfs/dbraw/zinc/37/57/32/569375732.db2.gz ZZIFCXXKAJOHTN-DEOSSOPVSA-N 0 0 422.525 4.793 50 0 HJAARN CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(Cl)C4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253499889 569382132 /nfs/dbraw/zinc/38/21/32/569382132.db2.gz QQEHDZXXCDSAFE-RXTPEPJPSA-N 0 0 406.950 4.544 50 0 biogenic HJAARN Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2F)c(C)n1Cc1ccccc1 ZINC000007934423 569384186 /nfs/dbraw/zinc/38/41/86/569384186.db2.gz PUBFYIUOGVLABB-MRXNPFEDSA-N 0 0 412.436 4.615 50 0 HJAARN O=c1[nH]n(C2CCCCC2)c2c1[C@@H](c1ccc(Br)cc1)SCC(=O)N2 ZINC000002363438 569387270 /nfs/dbraw/zinc/38/72/70/569387270.db2.gz OGBXPHQLKDGBBV-MRXNPFEDSA-N 0 0 422.348 4.631 50 0 HJAARN COCCn1c(C(=O)N[C@H]2CCCc3c4cc(OC)ccc4[nH]c32)cc2ccccc21 ZINC000252510175 569387773 /nfs/dbraw/zinc/38/77/73/569387773.db2.gz ZDDDGFSZRJWWHJ-NRFANRHFSA-N 0 0 417.509 4.585 50 0 HJAARN O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)c1ccc(Cl)cc1 ZINC000002373265 569389263 /nfs/dbraw/zinc/38/92/63/569389263.db2.gz XKUVXZSYTNDQRE-UHFFFAOYSA-N 0 0 410.886 4.610 50 0 HJAARN O=C(/C=C/c1ccc2ccccc2n1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008709555 569390132 /nfs/dbraw/zinc/39/01/32/569390132.db2.gz UHPBTIQUOUWBSK-SDNYCIMKSA-N 0 0 400.478 4.773 50 0 HJAARN CC(C)c1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4cccc(F)c4)nc3C2)cc1 ZINC000002380741 569390691 /nfs/dbraw/zinc/39/06/91/569390691.db2.gz QPHDHDRNIAEWKP-GOSISDBHSA-N 0 0 403.457 4.904 50 0 HJAARN CS(=O)(=O)Cc1cccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c1 ZINC000008877174 569390719 /nfs/dbraw/zinc/39/07/19/569390719.db2.gz LTFSHGZDHRPVIN-UHFFFAOYSA-N 0 0 422.531 4.760 50 0 HJAARN O=C(/C=C/c1ccc(Br)o1)OCC(=O)Nc1cccc(Cl)c1Cl ZINC000009335132 569392531 /nfs/dbraw/zinc/39/25/31/569392531.db2.gz ACPDKEBJSIQMQR-FNORWQNLSA-N 0 0 419.058 4.544 50 0 HJAARN CC(C)CCNC(=O)c1c(N)n(Cc2ccc(Cl)cc2)c2nc3ccccc3nc12 ZINC000002388940 569392608 /nfs/dbraw/zinc/39/26/08/569392608.db2.gz KQRYYHGUAOEZDJ-UHFFFAOYSA-N 0 0 421.932 4.644 50 0 HJAARN CC[C@H](C)COC(=O)c1c(N)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc12 ZINC000002394105 569394137 /nfs/dbraw/zinc/39/41/37/569394137.db2.gz JIKVYQSEVPLFKT-AWEZNQCLSA-N 0 0 402.498 4.976 50 0 HJAARN CCSc1nnc2n1c1c(c(=O)n2Cc2ccccc2)C(C)(C)Cc2ccccc2-1 ZINC000002399857 569394961 /nfs/dbraw/zinc/39/49/61/569394961.db2.gz LHSKCELFBAPVNM-UHFFFAOYSA-N 0 0 416.550 4.552 50 0 HJAARN COc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc1 ZINC000002407233 569396204 /nfs/dbraw/zinc/39/62/04/569396204.db2.gz AEFMEPLTHCOGMG-HXUWFJFHSA-N 0 0 421.836 4.793 50 0 HJAARN CCC(CC)COC(=O)c1c(N)n(Cc2cccs2)c2nc3ccccc3nc21 ZINC000002409527 569396476 /nfs/dbraw/zinc/39/64/76/569396476.db2.gz NUEFJUKAFUALDS-UHFFFAOYSA-N 0 0 408.527 4.870 50 0 HJAARN CC(=O)n1cc(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)c2ccccc21 ZINC000002414518 569397123 /nfs/dbraw/zinc/39/71/23/569397123.db2.gz QIDRGEGXYRVNOW-FMQZQXMHSA-N 0 0 400.768 4.578 50 0 HJAARN CC[C@H](C(=O)Nc1ncc2c(n1)C[C@H](c1ccc(F)cc1)CC2=O)c1ccccc1 ZINC000002423656 569398265 /nfs/dbraw/zinc/39/82/65/569398265.db2.gz QBMLRYMSEPUNGW-HKUYNNGSSA-N 0 0 403.457 4.661 50 0 HJAARN COc1ccc(C(=O)Nc2nn(CC(C)C)c3nc4c(C)cccc4cc23)cc1OC ZINC000002425200 569398508 /nfs/dbraw/zinc/39/85/08/569398508.db2.gz AJTWAOGOZNXQJB-UHFFFAOYSA-N 0 0 418.497 4.818 50 0 HJAARN CC(C)c1nc2sc3c(ncnc3N(CCO)Cc3ccccc3)c2c2c1CCC2 ZINC000002428351 569398765 /nfs/dbraw/zinc/39/87/65/569398765.db2.gz PDYYAXISUBUAID-UHFFFAOYSA-N 0 0 418.566 4.851 50 0 HJAARN Cc1cccc(NC(=O)CN(C)C(=O)c2cc3c(s2)-c2ccccc2CC3)c1C ZINC000012989911 569406137 /nfs/dbraw/zinc/40/61/37/569406137.db2.gz OKFDGFCDSYZGPP-UHFFFAOYSA-N 0 0 404.535 4.841 50 0 HJAARN Cc1cc(C)c(NC(=O)CSc2nc3cc(Br)c(C)nc3[nH]2)c(C)c1 ZINC000002453560 569406436 /nfs/dbraw/zinc/40/64/36/569406436.db2.gz FBIFDNLHUDZTTF-UHFFFAOYSA-N 0 0 419.348 4.685 50 0 HJAARN CCOC(=O)c1oc2ccccc2c1COC(=O)CCc1nc2ccccc2s1 ZINC000013008427 569406926 /nfs/dbraw/zinc/40/69/26/569406926.db2.gz HTVORDHTIMXQCI-UHFFFAOYSA-N 0 0 409.463 4.895 50 0 HJAARN COc1ccc(NC(=O)Cc2csc(SCc3ccc(C)cc3)n2)cc1OC ZINC000013010384 569407162 /nfs/dbraw/zinc/40/71/62/569407162.db2.gz XEQWFQSQFFPODH-UHFFFAOYSA-N 0 0 414.552 4.942 50 0 HJAARN COc1cc(CSc2nc(CC(=O)Nc3ccc(F)cc3)cs2)cc(OC)c1 ZINC000013010331 569407241 /nfs/dbraw/zinc/40/72/41/569407241.db2.gz JPZVVORDSABKDR-UHFFFAOYSA-N 0 0 418.515 4.773 50 0 HJAARN C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000013072526 569408660 /nfs/dbraw/zinc/40/86/60/569408660.db2.gz 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Cc1cccc(NC(=O)Nc2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)c1C ZINC000013359697 569411747 /nfs/dbraw/zinc/41/17/47/569411747.db2.gz CQVKJWACQQVTCR-UHFFFAOYSA-N 0 0 421.522 4.699 50 0 HJAARN CCOc1ccccc1NC(=O)c1nnn(-c2ccc(C(F)(F)F)c(Cl)c2)c1C ZINC000013362757 569411998 /nfs/dbraw/zinc/41/19/98/569411998.db2.gz UXRJFWYQFVHIBU-UHFFFAOYSA-N 0 0 424.810 4.899 50 0 HJAARN CCC(=O)N1c2nc(-c3ccc(OC)cc3)nn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000013369916 569412788 /nfs/dbraw/zinc/41/27/88/569412788.db2.gz LGEVUTUCIDYNDC-UXHICEINSA-N 0 0 408.546 4.929 50 0 biogenic HJAARN COc1cc(Cl)c(C)cc1NC(=O)c1cc(OC)c(Br)c(OC)c1 ZINC000007956728 569414174 /nfs/dbraw/zinc/41/41/74/569414174.db2.gz ICVIUKWZQSFKFC-UHFFFAOYSA-N 0 0 414.683 4.689 50 0 HJAARN CCOc1ccccc1-c1nc(CN(C)Cc2nc(-c3ccccc3)no2)c(C)o1 ZINC000019225429 569414510 /nfs/dbraw/zinc/41/45/10/569414510.db2.gz VJPUFZRMGQYQGM-UHFFFAOYSA-N 0 0 404.470 4.731 50 0 HJAARN CC[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1 ZINC000328592501 569415348 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COc1cc(OC)cc(-n2c(=O)c3ccccc3nc2SCc2cccc(F)c2)c1 ZINC000067258638 571057964 /nfs/dbraw/zinc/05/79/64/571057964.db2.gz IWCNKCPXRLLBQC-UHFFFAOYSA-N 0 0 422.481 4.834 50 0 HJAARN O=c1c2ccccc2nc(SCc2c(F)cccc2Cl)n1Cc1ccccn1 ZINC000067259370 571058472 /nfs/dbraw/zinc/05/84/72/571058472.db2.gz ADKOUURLLRWCEU-UHFFFAOYSA-N 0 0 411.889 4.925 50 0 HJAARN CC(C)OCCCn1c(=O)c2ccccc2nc1SCc1ccc(F)cc1F ZINC000067259144 571058526 /nfs/dbraw/zinc/05/85/26/571058526.db2.gz HPHUOUVJKOCEEE-UHFFFAOYSA-N 0 0 404.482 4.782 50 0 HJAARN CCN1c2ccccc2-c2nc(SCc3ccccc3Cl)ncc2S1(=O)=O ZINC000067260066 571059213 /nfs/dbraw/zinc/05/92/13/571059213.db2.gz PHYJLJUEPBWJJA-UHFFFAOYSA-N 0 0 417.943 4.618 50 0 HJAARN CC(C)c1ccc(-c2cc3c4nn(Cc5ccc(Cl)cc5)c(=O)n4ccn3n2)cc1 ZINC000067260586 571059593 /nfs/dbraw/zinc/05/95/93/571059593.db2.gz CJIPVFIBVLYRBJ-UHFFFAOYSA-N 0 0 417.900 4.636 50 0 HJAARN Cc1ccc(-c2nc(CN3C(=O)N[C@]4(CCCCc5ccccc54)C3=O)cs2)cc1 ZINC000008502014 571062594 /nfs/dbraw/zinc/06/25/94/571062594.db2.gz 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ZINC000067293379 571069177 /nfs/dbraw/zinc/06/91/77/571069177.db2.gz RYOJXRGIKUYJGK-LVWGJNHUSA-N 0 0 405.841 4.980 50 0 HJAARN COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3cccc(F)c3C)oc21 ZINC000067293667 571069390 /nfs/dbraw/zinc/06/93/90/571069390.db2.gz BFCNVMBSJUCYSG-RWEWTDSWSA-N 0 0 403.413 4.769 50 0 HJAARN COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(F)cc3)oc21 ZINC000067295695 571070863 /nfs/dbraw/zinc/07/08/63/571070863.db2.gz MHUGUKFNYHYAPG-RWEWTDSWSA-N 0 0 403.413 4.769 50 0 HJAARN COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cc(F)cc(F)c3)oc21 ZINC000067295903 571070867 /nfs/dbraw/zinc/07/08/67/571070867.db2.gz QCGOVUUCRNEKAL-CLCOLTQESA-N 0 0 413.405 4.661 50 0 HJAARN COc1ccc(NC(=O)/C=C/c2cc3cc(Br)ccc3o2)c(OC)c1 ZINC000067339413 571080426 /nfs/dbraw/zinc/08/04/26/571080426.db2.gz KECSLSJXKGDZGY-VMPITWQZSA-N 0 0 402.244 4.864 50 0 HJAARN CC(=O)c1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3)no2)cc1 ZINC000008586886 571083494 /nfs/dbraw/zinc/08/34/94/571083494.db2.gz ZERKSNWPDCXPFC-UHFFFAOYSA-N 0 0 413.433 4.624 50 0 HJAARN CCc1nnc(S[C@@H](CC)C(=O)Nc2cccc(OC)c2)c2cc3oc(C)cc3n21 ZINC000008588937 571084916 /nfs/dbraw/zinc/08/49/16/571084916.db2.gz DZPPFLSXPVXIDU-IBGZPJMESA-N 0 0 424.526 4.864 50 0 HJAARN O=S(=O)(c1nc(-c2ccc(F)cc2)oc1N1CCCCCC1)c1ccccc1 ZINC000008590551 571085070 /nfs/dbraw/zinc/08/50/70/571085070.db2.gz SIJVJOPELHCMEE-UHFFFAOYSA-N 0 0 400.475 4.694 50 0 HJAARN COc1cc(Cl)c(C)cc1NC(=O)c1c(C)oc2nc(C)nc(N3CCCC3)c21 ZINC000008596529 571088018 /nfs/dbraw/zinc/08/80/18/571088018.db2.gz RQETXMLFQUAVRD-UHFFFAOYSA-N 0 0 414.893 4.663 50 0 HJAARN Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)NCc3ccccc3)c12 ZINC000008598061 571088380 /nfs/dbraw/zinc/08/83/80/571088380.db2.gz LGOIQBMDWKMNON-UHFFFAOYSA-N 0 0 404.901 4.929 50 0 HJAARN Cc1ccc(N2C[C@@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2=O)c(C)c1 ZINC000038850197 571088480 /nfs/dbraw/zinc/08/84/80/571088480.db2.gz GRJHIBICCIVWJC-HNNXBMFYSA-N 0 0 401.388 4.893 50 0 HJAARN COc1cccc(-n2cc(C(=O)OCc3ccc(F)c(F)c3)c3ccccc3c2=O)c1 ZINC000008600310 571089869 /nfs/dbraw/zinc/08/98/69/571089869.db2.gz BZMYRLVGEFGYND-UHFFFAOYSA-N 0 0 421.399 4.635 50 0 HJAARN COc1cc(OC)c(NC(=O)c2cnn(-c3ccccc3)c2-n2cccc2)cc1Cl ZINC000008611105 571094828 /nfs/dbraw/zinc/09/48/28/571094828.db2.gz OQUJGFRWTDJJLQ-UHFFFAOYSA-N 0 0 422.872 4.586 50 0 HJAARN O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1Cc1ccncc1 ZINC000008642675 571097701 /nfs/dbraw/zinc/09/77/01/571097701.db2.gz FUQDNGQBOMSPKW-FQEVSTJZSA-N 0 0 402.837 4.587 50 0 HJAARN COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1OC ZINC000008697739 571102572 /nfs/dbraw/zinc/10/25/72/571102572.db2.gz JWLPCYMNMLHBRN-UHFFFAOYSA-N 0 0 419.886 4.950 50 0 HJAARN COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(C3CC3)nn2-c2ccccc2)c1 ZINC000008709537 571104734 /nfs/dbraw/zinc/10/47/34/571104734.db2.gz QDUZCOJCNHGOSP-JOCHJYFZSA-N 0 0 417.509 4.744 50 0 HJAARN O=C(COc1cc(Cl)c(Cl)cc1Cl)NCCc1ccc(-n2cccn2)cc1 ZINC000008718327 571105834 /nfs/dbraw/zinc/10/58/34/571105834.db2.gz ABVDQCNEHXIASR-UHFFFAOYSA-N 0 0 424.715 4.570 50 0 HJAARN 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