smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CC[C@]3(CCOC3)C2)cnc1Cl ZINC001164390518 718808236 /nfs/dbraw/zinc/80/82/36/718808236.db2.gz QSFMEUGNLDVLMX-SFHVURJKSA-N 0 0 432.820 5.583 20 0 IKADRN OCC[C@@H]1CC12CCN(C(F)(F)c1nc3cc(Cl)c(Cl)cc3nc1Cl)CC2 ZINC001164392384 718810911 /nfs/dbraw/zinc/81/09/11/718810911.db2.gz MIPWNMLUDBMXKP-SNVBAGLBSA-N 0 0 436.717 5.124 20 0 IKADRN FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3COC[C@@H]3C2)cnc1Cl ZINC001164389049 718820038 /nfs/dbraw/zinc/82/00/38/718820038.db2.gz GHZWUCJFGLCGAJ-OLZOCXBDSA-N 0 0 432.820 5.438 20 0 IKADRN O=C1Nc2ccccc2[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)C[C@H]12 ZINC001164407151 718858819 /nfs/dbraw/zinc/85/88/19/718858819.db2.gz WYVRPYOZWFWXBR-MOPGFXCFSA-N 0 0 443.856 5.258 20 0 IKADRN O=C1Nc2ccccc2[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)C[C@@H]12 ZINC001164404100 718858821 /nfs/dbraw/zinc/85/88/21/718858821.db2.gz OIJJPMPCBBFOLU-ZWKOTPCHSA-N 0 0 443.856 5.258 20 0 IKADRN FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3CCCO[C@H]3C2)c(Cl)nn1 ZINC001164420254 718906448 /nfs/dbraw/zinc/90/64/48/718906448.db2.gz IPNVEKYCAMZZFP-SJCJKPOMSA-N 0 0 447.835 5.366 20 0 IKADRN F[C@H](c1ccnc(Cl)c1)N1CCC(O[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1 ZINC001164621182 719130254 /nfs/dbraw/zinc/13/02/54/719130254.db2.gz LNVYASQFOBFUNA-GOTSBHOMSA-N 0 0 446.353 6.022 20 0 IKADRN CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4cnc(Cl)c(Cl)c4)C[C@@H]3O2)n1 ZINC001164633426 719259732 /nfs/dbraw/zinc/25/97/32/719259732.db2.gz CTUXEZWCPFQLFW-DQYPLSBCSA-N 0 0 443.325 5.203 20 0 IKADRN CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4ccc(Cl)nc4Cl)C[C@H]3O2)n1 ZINC001164632662 719260077 /nfs/dbraw/zinc/26/00/77/719260077.db2.gz ALICKOLUVGPAEU-VBNZEHGJSA-N 0 0 443.325 5.203 20 0 IKADRN CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cc(Cl)cnc4Cl)C[C@@H]3O2)n1 ZINC001164632791 719260129 /nfs/dbraw/zinc/26/01/29/719260129.db2.gz BFKWNLHYOVKQQA-ZLIFDBKOSA-N 0 0 443.325 5.203 20 0 IKADRN CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4ccnc(Cl)c4Cl)C[C@H]3O2)n1 ZINC001164639693 719260130 /nfs/dbraw/zinc/26/01/30/719260130.db2.gz QQIKFYDQIFCTQF-VBNZEHGJSA-N 0 0 443.325 5.203 20 0 IKADRN CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4ccc(Cl)nc4Cl)C[C@H]3O2)n1 ZINC001164632656 719260176 /nfs/dbraw/zinc/26/01/76/719260176.db2.gz ALICKOLUVGPAEU-UHOFOFEASA-N 0 0 443.325 5.203 20 0 IKADRN CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4ccc(Cl)nc4Cl)C[C@@H]3O2)n1 ZINC001164632645 719260216 /nfs/dbraw/zinc/26/02/16/719260216.db2.gz ALICKOLUVGPAEU-KCXAZCMYSA-N 0 0 443.325 5.203 20 0 IKADRN CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4c[nH]c5nc(Cl)ccc45)C[C@@H]3O2)n1 ZINC001164639495 719261394 /nfs/dbraw/zinc/26/13/94/719261394.db2.gz QHWCUGHRKDKFRR-BVGQSLNGSA-N 0 0 447.917 5.031 20 0 IKADRN CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4c[nH]c5nc(Cl)ccc45)C[C@@H]3O2)n1 ZINC001164639529 719261417 /nfs/dbraw/zinc/26/14/17/719261417.db2.gz QHWCUGHRKDKFRR-KKXDTOCCSA-N 0 0 447.917 5.031 20 0 IKADRN FC(F)(c1cnc(Cl)cc1Cl)N1C[C@@H]2O[C@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164645740 719287486 /nfs/dbraw/zinc/28/74/86/719287486.db2.gz LKOFHAKBKOOPSN-LKTVYLICSA-N 0 0 432.323 5.234 20 0 IKADRN FC(F)(c1ccnc(Cl)c1Cl)N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164645227 719287651 /nfs/dbraw/zinc/28/76/51/719287651.db2.gz DRXXPFGZHQWAEK-ZLKJLUDKSA-N 0 0 432.323 5.234 20 0 IKADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164650253 719287684 /nfs/dbraw/zinc/28/76/84/719287684.db2.gz YKLIVESJBSZWEO-JCURWCKSSA-N 0 0 448.926 5.128 20 0 IKADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1C[C@@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164645310 719287922 /nfs/dbraw/zinc/28/79/22/719287922.db2.gz FWYFJYVNRYBNMO-RZAIGCCYSA-N 0 0 448.926 5.128 20 0 IKADRN FC(F)(c1ccc2ccc(Cl)nc2c1)N1C[C@@H]2O[C@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164645271 719288423 /nfs/dbraw/zinc/28/84/23/719288423.db2.gz FGUSWKLGILQYLG-JVPBZIDWSA-N 0 0 447.938 5.733 20 0 IKADRN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1C[C@@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164647150 719288676 /nfs/dbraw/zinc/28/86/76/719288676.db2.gz QVSWYCCVFGTPMJ-XZJROXQQSA-N 0 0 436.915 5.062 20 0 IKADRN FC(F)(c1cccc2ccnc(Cl)c21)N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164645767 719289240 /nfs/dbraw/zinc/28/92/40/719289240.db2.gz LOAKSNBRYNTQTC-BMGDILEWSA-N 0 0 447.938 5.733 20 0 IKADRN FC(F)(c1cccc2c(Cl)ncnc21)N1C[C@@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164645097 719290299 /nfs/dbraw/zinc/29/02/99/719290299.db2.gz BWNSZCGPYMVGSA-VUCTXSBTSA-N 0 0 448.926 5.128 20 0 IKADRN FC(F)(c1cccc2c(Cl)ncnc21)N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164645096 719290429 /nfs/dbraw/zinc/29/04/29/719290429.db2.gz BWNSZCGPYMVGSA-JCURWCKSSA-N 0 0 448.926 5.128 20 0 IKADRN FC(F)(c1cccc2c(Cl)ncnc21)N1C[C@@H]2O[C@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164645098 719290565 /nfs/dbraw/zinc/29/05/65/719290565.db2.gz BWNSZCGPYMVGSA-ZLIFDBKOSA-N 0 0 448.926 5.128 20 0 IKADRN FC(F)(c1cc(Cl)nc2c1CCC2)N1C[C@@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164646537 719291603 /nfs/dbraw/zinc/29/16/03/719291603.db2.gz OINCYHGDYPWFTG-RZAIGCCYSA-N 0 0 437.943 5.069 20 0 IKADRN Cc1ccc(-c2nnc(N3CCc4c(CN(C)C)nn(C(C)C)c4C3)c3ccccc32)cc1 ZINC001164652945 719314616 /nfs/dbraw/zinc/31/46/16/719314616.db2.gz UZQMLOORVAXCMT-UHFFFAOYSA-N 0 0 440.595 5.007 20 0 IKADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3c(C)cccc31)CC2 ZINC001164658575 719350456 /nfs/dbraw/zinc/35/04/56/719350456.db2.gz JKTWSKPJYCCVIT-UHFFFAOYSA-N 0 0 437.591 5.238 20 0 IKADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3ccc(F)cc31)CC2 ZINC001164658191 719350469 /nfs/dbraw/zinc/35/04/69/719350469.db2.gz FHLDKEXNNGYKMD-UHFFFAOYSA-N 0 0 441.554 5.069 20 0 IKADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3c(F)cccc31)CC2 ZINC001164659611 719351343 /nfs/dbraw/zinc/35/13/43/719351343.db2.gz RIFYPKZYZKQMBO-UHFFFAOYSA-N 0 0 441.554 5.069 20 0 IKADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3cccc(F)c3n1)CC2 ZINC001164658877 719352483 /nfs/dbraw/zinc/35/24/83/719352483.db2.gz KVKSLPDYWISOGP-UHFFFAOYSA-N 0 0 441.554 5.069 20 0 IKADRN CCOC[C@@H]1CN(C(F)(F)c2cc3ccccc3nc2Cl)Cc2nn(CC3CC3)cc21 ZINC001164664811 719363867 /nfs/dbraw/zinc/36/38/67/719363867.db2.gz SEWDFZDNSGPPLX-KRWDZBQOSA-N 0 0 446.929 5.180 20 0 IKADRN Cc1nc(CN2CCCC23CCN(C(F)(F)c2cc(Cl)nc(Cl)c2)CC3)cs1 ZINC001164690831 719803828 /nfs/dbraw/zinc/80/38/28/719803828.db2.gz AQKRJFCVWRJWKT-UHFFFAOYSA-N 0 0 447.382 5.333 20 0 IKADRN FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164729871 720356308 /nfs/dbraw/zinc/35/63/08/720356308.db2.gz YQTJKHOOBVCMCF-YADHBBJMSA-N 0 0 440.925 5.195 20 0 IKADRN FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164729861 720356630 /nfs/dbraw/zinc/35/66/30/720356630.db2.gz YQTJKHOOBVCMCF-FCHUYYIVSA-N 0 0 440.925 5.195 20 0 IKADRN FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164722563 720372174 /nfs/dbraw/zinc/37/21/74/720372174.db2.gz DMMKURLXBWEYNB-VQTJNVASSA-N 0 0 449.332 5.335 20 0 IKADRN FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164722566 720372997 /nfs/dbraw/zinc/37/29/97/720372997.db2.gz DMMKURLXBWEYNB-WOJBJXKFSA-N 0 0 449.332 5.335 20 0 IKADRN Fc1c(Cl)nccc1C(F)(F)N1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001164825972 720393343 /nfs/dbraw/zinc/39/33/43/720393343.db2.gz WDSAIPROJCISBF-SFHVURJKSA-N 0 0 431.836 5.161 20 0 IKADRN Fc1c(Cl)nccc1C(F)(F)N1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001164825968 720393459 /nfs/dbraw/zinc/39/34/59/720393459.db2.gz WDSAIPROJCISBF-GOSISDBHSA-N 0 0 431.836 5.161 20 0 IKADRN FC(F)(c1nc(Cl)ncc1Cl)N1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001164824330 720394265 /nfs/dbraw/zinc/39/42/65/720394265.db2.gz QVSJPBVIPNHMEV-QGZVFWFLSA-N 0 0 449.279 5.070 20 0 IKADRN Fc1ccc(C(F)(F)N2CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C2)nc1Cl ZINC001164826103 720394416 /nfs/dbraw/zinc/39/44/16/720394416.db2.gz WWBBIUCPJDIOFQ-GOSISDBHSA-N 0 0 431.836 5.161 20 0 IKADRN FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164728924 720486147 /nfs/dbraw/zinc/48/61/47/720486147.db2.gz PORGCHNDYQPNFU-RBUKOAKNSA-N 0 0 446.954 5.257 20 0 IKADRN CC[C@H]1N(C(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)CCC[C@@]12CCC(=O)N2 ZINC001164850897 720756063 /nfs/dbraw/zinc/75/60/63/720756063.db2.gz YCTDRBTYVLHPQM-WIYYLYMNSA-N 0 0 437.893 5.114 20 0 IKADRN CC[C@@H]1N(C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)CCC[C@@]12CCC(=O)N2 ZINC001164848139 720756124 /nfs/dbraw/zinc/75/61/24/720756124.db2.gz OHZAVIRMZNDNQN-GHTZIAJQSA-N 0 0 437.893 5.114 20 0 IKADRN CC[C@@H]1N(C(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)CCC[C@@]12CCC(=O)N2 ZINC001164850887 720756250 /nfs/dbraw/zinc/75/62/50/720756250.db2.gz YCTDRBTYVLHPQM-GHTZIAJQSA-N 0 0 437.893 5.114 20 0 IKADRN CC[C@H]1N(C(F)(F)c2cnc(Cl)c(-c3cccc(C)c3)c2)CCC[C@@]12CCC(=O)N2 ZINC001164849010 720759665 /nfs/dbraw/zinc/75/96/65/720759665.db2.gz RWGISVOWDGOQTI-DENIHFKCSA-N 0 0 433.930 5.283 20 0 IKADRN Cc1nc([C@@H]2COCCN2C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)cs1 ZINC001164751960 720864995 /nfs/dbraw/zinc/86/49/95/720864995.db2.gz RUTQOXIWKGOAFX-SFHVURJKSA-N 0 0 439.890 5.429 20 0 IKADRN Cc1nc([C@H]2COCCN2C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)cs1 ZINC001164751954 720865184 /nfs/dbraw/zinc/86/51/84/720865184.db2.gz RUTQOXIWKGOAFX-GOSISDBHSA-N 0 0 439.890 5.429 20 0 IKADRN Cc1nc([C@H]2COCCN2C(F)(F)c2cnc(Cl)c(-c3cccc(C)c3)c2)cs1 ZINC001164744767 720865750 /nfs/dbraw/zinc/86/57/50/720865750.db2.gz CGYLIVODRWMMKF-LJQANCHMSA-N 0 0 435.927 5.598 20 0 IKADRN Cc1nc([C@@H]2COCCN2C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)cs1 ZINC001164752937 720865779 /nfs/dbraw/zinc/86/57/79/720865779.db2.gz NPEJHHUEDSLTHI-HNNXBMFYSA-N 0 0 427.929 5.351 20 0 IKADRN FC(F)(c1cccc2c(Cl)ncnc21)N1CCC[C@@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001164773414 721060791 /nfs/dbraw/zinc/06/07/91/721060791.db2.gz RNELQBBCPFWSSL-HTAPYJJXSA-N 0 0 429.898 5.371 20 0 IKADRN FC(F)(c1cccc2c(Cl)nccc21)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001164875114 721249949 /nfs/dbraw/zinc/24/99/49/721249949.db2.gz MFNYFTHOAZYHAH-HBGVWJBISA-N 0 0 445.897 5.033 20 0 IKADRN FC(F)(c1cccc2c(Cl)nccc21)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@@H]21 ZINC001164875115 721250253 /nfs/dbraw/zinc/25/02/53/721250253.db2.gz MFNYFTHOAZYHAH-NDXORKPFSA-N 0 0 445.897 5.033 20 0 IKADRN Cc1cccc(N2CCC[C@@]3(C2)CN(C(F)(F)C2(c4ccc(Cl)nc4)CC2)CCO3)c1 ZINC001164774674 721305556 /nfs/dbraw/zinc/30/55/56/721305556.db2.gz HHHYZFJMUAJCHK-JOCHJYFZSA-N 0 0 447.957 5.039 20 0 IKADRN Fc1ccc(-c2ncnc3c2CCN(C(F)(F)c2cnc(Cl)c(Cl)c2)CC3)cc1 ZINC001164778702 721314945 /nfs/dbraw/zinc/31/49/45/721314945.db2.gz YXVCEKXKLONXER-UHFFFAOYSA-N 0 0 439.268 5.135 20 0 IKADRN Fc1ccc(-c2ncnc3c2CCN(C(F)(F)c2ccnc(Cl)c2Cl)CC3)cc1 ZINC001164776147 721315541 /nfs/dbraw/zinc/31/55/41/721315541.db2.gz LUYJCVNNUXCFBE-UHFFFAOYSA-N 0 0 439.268 5.135 20 0 IKADRN Cc1cc(C(F)(F)N2CCC3(CCC(CC(=O)N4CC=CC4)CC3)CC2)cc(Cl)n1 ZINC001164775931 721327593 /nfs/dbraw/zinc/32/75/93/721327593.db2.gz ATUCYVKSTULGSZ-UHFFFAOYSA-N 0 0 437.962 5.154 20 0 IKADRN Cc1cc(Cl)ncc1C(F)(F)N1CCC2(CCC(CC(=O)N3CC=CC3)CC2)CC1 ZINC001164776763 721328024 /nfs/dbraw/zinc/32/80/24/721328024.db2.gz IUJZVPDUCBKWKU-UHFFFAOYSA-N 0 0 437.962 5.154 20 0 IKADRN Cc1cc(Cl)nc(C(F)(F)N2CCC3(CCC(CC(=O)N4CC=CC4)CC3)CC2)c1 ZINC001164776977 721328297 /nfs/dbraw/zinc/32/82/97/721328297.db2.gz JBJUCJODZINURY-UHFFFAOYSA-N 0 0 437.962 5.154 20 0 IKADRN Cc1ccc(C(F)(F)N2CCC3(CCC(CC(=O)N4CC=CC4)CC3)CC2)nc1Cl ZINC001164776055 721328325 /nfs/dbraw/zinc/32/83/25/721328325.db2.gz CDFZCDYPILLBDX-UHFFFAOYSA-N 0 0 437.962 5.154 20 0 IKADRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2cc(Cl)c(Cl)nc2Cl)N1c1ccsc1 ZINC001164881487 721358005 /nfs/dbraw/zinc/35/80/05/721358005.db2.gz CSRDMPKJPHDYKL-NEPJUHHUSA-N 0 0 438.714 5.032 20 0 IKADRN c1csc(CN2C[C@@H]3CN(c4ccc(-c5ccc(C6CCCCC6)cc5)nn4)C[C@H]3C2)n1 ZINC001164788316 721433478 /nfs/dbraw/zinc/43/34/78/721433478.db2.gz SWCNNWJVFSLGFC-DHIUTWEWSA-N 0 0 445.636 5.216 20 0 IKADRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)CC[C@@H]21 ZINC001164888933 721463542 /nfs/dbraw/zinc/46/35/42/721463542.db2.gz GKMBVYCFIRMQID-ICSRJNTNSA-N 0 0 433.930 5.030 20 0 IKADRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)CC[C@H]21 ZINC001164888929 721463607 /nfs/dbraw/zinc/46/36/07/721463607.db2.gz GKMBVYCFIRMQID-AZUAARDMSA-N 0 0 433.930 5.030 20 0 IKADRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)CC[C@@H]21 ZINC001164887639 721463792 /nfs/dbraw/zinc/46/37/92/721463792.db2.gz DKWQNTPYIZFYQF-ACJLOTCBSA-N 0 0 442.337 5.170 20 0 IKADRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)CC[C@H]21 ZINC001164887641 721463838 /nfs/dbraw/zinc/46/38/38/721463838.db2.gz DKWQNTPYIZFYQF-SCLBCKFNSA-N 0 0 442.337 5.170 20 0 IKADRN FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1C[C@@H]2CCC[C@H](OCC3CC3)[C@H]2C1 ZINC001164900657 721499185 /nfs/dbraw/zinc/49/91/85/721499185.db2.gz RKTXGMLWWBKYFM-YYWHXJBOSA-N 0 0 433.930 5.373 20 0 IKADRN 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CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4ccc(Cl)c(Cl)n4)C[C@H]3O2)n1 ZINC001164640183 719261331 /nfs/dbraw/zinc/26/13/31/719261331.db2.gz RLARCNBQCMDMPG-VBNZEHGJSA-N 0 0 443.325 5.203 20 0 IKADRN CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4cc5cc[nH]c5c(Cl)n4)C[C@H]3O2)n1 ZINC001164633498 719262134 /nfs/dbraw/zinc/26/21/34/719262134.db2.gz DAFMCCVNNIDJCV-XOKHGSTOSA-N 0 0 447.917 5.031 20 0 IKADRN CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cnc(Cl)c(C5CC5)c4)C[C@H]3O2)n1 ZINC001164640189 719263771 /nfs/dbraw/zinc/26/37/71/719263771.db2.gz RMQTZYXXFUFUMW-RYGJVYDSSA-N 0 0 448.945 5.427 20 0 IKADRN FC(F)(c1cc(Cl)nc(Cl)c1)N1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164646064 719287598 /nfs/dbraw/zinc/28/75/98/719287598.db2.gz MXGXLIDEFWJMER-LEWSCRJBSA-N 0 0 432.323 5.234 20 0 IKADRN FC(F)(c1ccnc(Cl)c1Cl)N1C[C@@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164645225 719287624 /nfs/dbraw/zinc/28/76/24/719287624.db2.gz DRXXPFGZHQWAEK-GDLCADMTSA-N 0 0 432.323 5.234 20 0 IKADRN FC(F)(c1cc(Cl)cnc1Cl)N1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164645045 719287634 /nfs/dbraw/zinc/28/76/34/719287634.db2.gz ARDZQQASHLRPJF-NZVBXONLSA-N 0 0 432.323 5.234 20 0 IKADRN FC(F)(c1ccc(Cl)nc1Cl)N1C[C@@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164645499 719287646 /nfs/dbraw/zinc/28/76/46/719287646.db2.gz JIVSKPXLFWZQKZ-GDLCADMTSA-N 0 0 432.323 5.234 20 0 IKADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1C[C@@H]2O[C@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164650261 719287687 /nfs/dbraw/zinc/28/76/87/719287687.db2.gz YKLIVESJBSZWEO-ZLIFDBKOSA-N 0 0 448.926 5.128 20 0 IKADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1C[C@@H]2O[C@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164645308 719288004 /nfs/dbraw/zinc/28/80/04/719288004.db2.gz FWYFJYVNRYBNMO-IGNZVWTISA-N 0 0 448.926 5.128 20 0 IKADRN FC(F)(c1ccc(Cl)c(Cl)n1)N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164646633 719288816 /nfs/dbraw/zinc/28/88/16/719288816.db2.gz PDFKWFQTYIRAHY-ZLKJLUDKSA-N 0 0 432.323 5.234 20 0 IKADRN FC(F)(c1ccc(Cl)c(Cl)n1)N1C[C@@H]2O[C@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164646629 719288888 /nfs/dbraw/zinc/28/88/88/719288888.db2.gz PDFKWFQTYIRAHY-BPNCWPANSA-N 0 0 432.323 5.234 20 0 IKADRN CSc1ccc(C(F)(F)N2C[C@@H]3O[C@H](c4nc(C5CC5)cs4)C[C@H]3C2)nc1Cl ZINC001164647396 719289220 /nfs/dbraw/zinc/28/92/20/719289220.db2.gz RTCXOSMHJPVQLZ-UBHSHLNASA-N 0 0 443.972 5.302 20 0 IKADRN FC(F)(c1cc2ccccc2nc1Cl)N1C[C@@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164645246 719289572 /nfs/dbraw/zinc/28/95/72/719289572.db2.gz FAVLBUPQGBRVST-KYNGSXCRSA-N 0 0 447.938 5.733 20 0 IKADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1C[C@@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164645440 719289575 /nfs/dbraw/zinc/28/95/75/719289575.db2.gz ILJYMEXCXZCOMD-CFVMTHIKSA-N 0 0 436.915 5.062 20 0 IKADRN FC(F)(N1C[C@@H]2O[C@H](c3nc(C4CC4)cs3)C[C@H]2C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164645358 719290779 /nfs/dbraw/zinc/29/07/79/719290779.db2.gz GSCWQDAWQWGVRN-JQFCIGGWSA-N 0 0 437.943 5.155 20 0 IKADRN FC(F)(N1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164645359 719291304 /nfs/dbraw/zinc/29/13/04/719291304.db2.gz GSCWQDAWQWGVRN-RRQGHBQHSA-N 0 0 437.943 5.155 20 0 IKADRN FC(F)(c1cnc(Cl)c(C2CC2)c1)N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164647988 719291310 /nfs/dbraw/zinc/29/13/10/719291310.db2.gz TZAMPPVCZMUKOH-MORSLUCNSA-N 0 0 437.943 5.458 20 0 IKADRN FC(F)(c1cnc(Cl)c(C2CC2)c1)N1C[C@@H]2O[C@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164647985 719291327 /nfs/dbraw/zinc/29/13/27/719291327.db2.gz TZAMPPVCZMUKOH-KKXDTOCCSA-N 0 0 437.943 5.458 20 0 IKADRN CC(C)n1nc(CN(C)C)c2c1CN(c1c(Cl)nc(Cl)c(Cl)c1Cl)CC2 ZINC001164647280 719309612 /nfs/dbraw/zinc/30/96/12/719309612.db2.gz LTMFLRLAHPCUQO-UHFFFAOYSA-N 0 0 437.202 5.097 20 0 IKADRN Cc1ccc(-c2csc3ncnc(N4CCc5c(CN(C)C)nn(C(C)C)c5C4)c23)cc1 ZINC001164647353 719309911 /nfs/dbraw/zinc/30/99/11/719309911.db2.gz ANJKQCLQCKSZPI-UHFFFAOYSA-N 0 0 446.624 5.068 20 0 IKADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(Cl)cc1Cl)CC2 ZINC001164663123 719345281 /nfs/dbraw/zinc/34/52/81/719345281.db2.gz DUYDTGPJONPWEQ-UHFFFAOYSA-N 0 0 442.394 5.083 20 0 IKADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3cccc(C)c3n1)CC2 ZINC001164661437 719345781 /nfs/dbraw/zinc/34/57/81/719345781.db2.gz KXZDQGXFCGUQTQ-UHFFFAOYSA-N 0 0 437.591 5.238 20 0 IKADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3ccc(C)cc31)CC2 ZINC001164664198 719350018 /nfs/dbraw/zinc/35/00/18/719350018.db2.gz UCFBLIJWWJEMGL-UHFFFAOYSA-N 0 0 437.591 5.238 20 0 IKADRN CCc1cc2c(ccnc2N2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3CC)o1 ZINC001164663865 719356210 /nfs/dbraw/zinc/35/62/10/719356210.db2.gz HUUAVVGYTPCXIL-UHFFFAOYSA-N 0 0 441.579 5.085 20 0 IKADRN CCOC[C@@H]1CN(C(F)(F)c2cccc3c(Cl)nccc32)Cc2nn(CC3CC3)cc21 ZINC001164665846 719363607 /nfs/dbraw/zinc/36/36/07/719363607.db2.gz YZLZUWYUWWKLCV-INIZCTEOSA-N 0 0 446.929 5.180 20 0 IKADRN Fc1ccc(CN2CCOCC23CCN(c2c(Cl)ncc(Cl)c2Cl)CC3)cc1 ZINC001164672549 719510186 /nfs/dbraw/zinc/51/01/86/719510186.db2.gz KBWHMXPJAZNMTF-UHFFFAOYSA-N 0 0 444.765 5.052 20 0 IKADRN Cc1nc(CN2CCCC23CCN(C(F)(F)c2ccc(Cl)nc2Cl)CC3)cs1 ZINC001164691504 719804078 /nfs/dbraw/zinc/80/40/78/719804078.db2.gz IMXOLDVASMGHBP-UHFFFAOYSA-N 0 0 447.382 5.333 20 0 IKADRN O=C1N(CC2CC2)CC[C@@]12CCCN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164819371 720278801 /nfs/dbraw/zinc/27/88/01/720278801.db2.gz QCLJSZDLBJYSHL-HSZRJFAPSA-N 0 0 445.941 5.176 20 0 IKADRN FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164722557 720372826 /nfs/dbraw/zinc/37/28/26/720372826.db2.gz DMMKURLXBWEYNB-PMACEKPBSA-N 0 0 449.332 5.335 20 0 IKADRN FC(F)(c1ccc(Cl)nc1Cl)N1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001164821043 720393535 /nfs/dbraw/zinc/39/35/35/720393535.db2.gz DKVXLQYNFCSAED-SFHVURJKSA-N 0 0 448.291 5.675 20 0 IKADRN FC(F)(c1cc(Cl)nc(Cl)n1)N1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001164821832 720393610 /nfs/dbraw/zinc/39/36/10/720393610.db2.gz JCPJGHZIPOKWQP-QGZVFWFLSA-N 0 0 449.279 5.070 20 0 IKADRN FC(F)(c1cc(Cl)nc(Cl)c1)N1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001164824462 720393857 /nfs/dbraw/zinc/39/38/57/720393857.db2.gz SFXYIVJREOLNQY-SFHVURJKSA-N 0 0 448.291 5.675 20 0 IKADRN FC(F)(c1cc(Cl)ncc1Cl)N1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001164822255 720393897 /nfs/dbraw/zinc/39/38/97/720393897.db2.gz KYZKYBPPUVJILS-SFHVURJKSA-N 0 0 448.291 5.675 20 0 IKADRN FC(F)(c1ccnc(Cl)c1Cl)N1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001164821320 720394328 /nfs/dbraw/zinc/39/43/28/720394328.db2.gz FSAUSHYGYYJWQB-GOSISDBHSA-N 0 0 448.291 5.675 20 0 IKADRN Fc1cc(C(F)(F)N2CCC(F)(F)[C@]3(CCN(c4ccccc4)C3)C2)cnc1Cl ZINC001164820434 720394567 /nfs/dbraw/zinc/39/45/67/720394567.db2.gz BLQXMRTXPXYYDL-SFHVURJKSA-N 0 0 431.836 5.161 20 0 IKADRN FC(F)(c1nc(Cl)ncc1Cl)N1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001164824328 720394601 /nfs/dbraw/zinc/39/46/01/720394601.db2.gz QVSJPBVIPNHMEV-KRWDZBQOSA-N 0 0 449.279 5.070 20 0 IKADRN Cc1ccc(C(F)(F)N2CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C2)nc1Cl ZINC001164822396 720395093 /nfs/dbraw/zinc/39/50/93/720395093.db2.gz LWMCYTFUVOLRKQ-LJQANCHMSA-N 0 0 427.873 5.330 20 0 IKADRN Fc1cnc(Cl)cc1C(F)(F)N1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001164822864 720395215 /nfs/dbraw/zinc/39/52/15/720395215.db2.gz MLCZNACZJWABLP-SFHVURJKSA-N 0 0 431.836 5.161 20 0 IKADRN Cc1noc([C@@H]2CC[C@@H]3[C@H](CCN3C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)O2)n1 ZINC001164826164 720402659 /nfs/dbraw/zinc/40/26/59/720402659.db2.gz CNASOAZZTOVMDT-QYZOEREBSA-N 0 0 446.885 5.137 20 0 IKADRN CC[C@@H]1N(C(F)(F)c2ccc3nc(Cl)cc(Cl)c3c2)CCC[C@@]12CCC(=O)N2 ZINC001164845198 720749563 /nfs/dbraw/zinc/74/95/63/720749563.db2.gz XAVSPWBRMZNNHL-QFBILLFUSA-N 0 0 428.310 5.114 20 0 IKADRN O=C1CC[C@@H]2[C@H](CCN2C(F)(F)c2ccc(Cl)nc2C(F)(F)F)N1c1ccccc1 ZINC001164846434 720767116 /nfs/dbraw/zinc/76/71/16/720767116.db2.gz IVIJLHMWNDUWES-CABCVRRESA-N 0 0 445.819 5.073 20 0 IKADRN O=C1CC[C@H]2[C@H](CCN2C(F)(F)c2ccc(Cl)nc2C(F)(F)F)N1c1ccccc1 ZINC001164846435 720768620 /nfs/dbraw/zinc/76/86/20/720768620.db2.gz IVIJLHMWNDUWES-GJZGRUSLSA-N 0 0 445.819 5.073 20 0 IKADRN COC[C@@]12CCCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(F)cc3)c1)C2 ZINC001164848012 720828621 /nfs/dbraw/zinc/82/86/21/720828621.db2.gz LNOZODQLLYVMOJ-CTNGQTDRSA-N 0 0 440.893 5.108 20 0 IKADRN COC[C@@]12CCCO[C@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(F)c3)c1)C2 ZINC001164851178 720828869 /nfs/dbraw/zinc/82/88/69/720828869.db2.gz WPQJIUYECCQZGL-FPOVZHCZSA-N 0 0 440.893 5.108 20 0 IKADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCC[C@@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001164767358 721057842 /nfs/dbraw/zinc/05/78/42/721057842.db2.gz GXZAICBWVXIKOO-HTAPYJJXSA-N 0 0 429.898 5.371 20 0 IKADRN FC(F)(c1nc2ccsc2c(Cl)n1)N1CCC[C@@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001164764100 721058790 /nfs/dbraw/zinc/05/87/90/721058790.db2.gz BFLHYAWZNYCTBN-FOIQADDNSA-N 0 0 435.927 5.433 20 0 IKADRN C[C@H]1c2ncc(COCC3CC3)n2CCN1C(F)(F)c1cccc2c(Cl)nccc21 ZINC001164870722 721241950 /nfs/dbraw/zinc/24/19/50/721241950.db2.gz BAXQHECYNHJDSE-AWEZNQCLSA-N 0 0 432.902 5.137 20 0 IKADRN C[C@@H]1c2ncc(COCC3CC3)n2CCN1C(F)(F)c1cnc(Cl)c(-c2ccco2)c1 ZINC001164872236 721244850 /nfs/dbraw/zinc/24/48/50/721244850.db2.gz CREYBKGBVVPZRQ-CQSZACIVSA-N 0 0 448.901 5.244 20 0 IKADRN FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@@H]21 ZINC001164873132 721247733 /nfs/dbraw/zinc/24/77/33/721247733.db2.gz GLSLYBSRKBZUCS-GIVPXCGWSA-N 0 0 445.897 5.033 20 0 IKADRN FC(F)(c1cc2ccccc2nc1Cl)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@@H]21 ZINC001164878824 721249842 /nfs/dbraw/zinc/24/98/42/721249842.db2.gz VOTZPDOBRSDDJQ-YYWHXJBOSA-N 0 0 445.897 5.033 20 0 IKADRN FC(F)(c1cc2ccccc2nc1Cl)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001164878822 721250217 /nfs/dbraw/zinc/25/02/17/721250217.db2.gz VOTZPDOBRSDDJQ-WMQCIHAUSA-N 0 0 445.897 5.033 20 0 IKADRN Fc1ccc(-c2ncnc3c2CCN(C(F)(F)c2cc(Cl)nc(Cl)c2)CC3)cc1 ZINC001164778925 721314915 /nfs/dbraw/zinc/31/49/15/721314915.db2.gz ZVGDYBPYXFLYLB-UHFFFAOYSA-N 0 0 439.268 5.135 20 0 IKADRN Fc1ccc(-c2ncnc3c2CCN(C(F)(F)C2(c4ccnc(Cl)c4)CC2)CC3)cc1 ZINC001164777521 721316166 /nfs/dbraw/zinc/31/61/66/721316166.db2.gz KQWDDCNNPRPGQX-UHFFFAOYSA-N 0 0 444.888 5.056 20 0 IKADRN [O-][n+]1ccc(C(F)(F)N2CCC3(CCc4ccc(-c5ccoc5)cc43)CC2)cc1Cl ZINC001164886573 721454046 /nfs/dbraw/zinc/45/40/46/721454046.db2.gz HJJPEUDBVYYSSN-UHFFFAOYSA-N 0 0 430.882 5.263 20 0 IKADRN CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)CC[C@@H]21 ZINC001164887642 721463899 /nfs/dbraw/zinc/46/38/99/721463899.db2.gz DKWQNTPYIZFYQF-UGSOOPFHSA-N 0 0 442.337 5.170 20 0 IKADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@H](CCN4C(=O)C(C)C)C3)cnc2Cl)c1 ZINC001164887577 721468218 /nfs/dbraw/zinc/46/82/18/721468218.db2.gz BYDAAMOFXSONKB-NQIIRXRSSA-N 0 0 447.957 5.339 20 0 IKADRN CCOC[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3CCCCC3)c2)Cc2cnn(C)c21 ZINC001164791913 721478363 /nfs/dbraw/zinc/47/83/63/721478363.db2.gz KOPGFXWKNOYHFD-KRWDZBQOSA-N 0 0 438.950 5.201 20 0 IKADRN FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1C[C@@H]2CCC[C@H](OCC3CC3)[C@@H]2C1 ZINC001164900656 721499442 /nfs/dbraw/zinc/49/94/42/721499442.db2.gz RKTXGMLWWBKYFM-WMQCIHAUSA-N 0 0 433.930 5.373 20 0 IKADRN FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CCn2cnc(COCC3CC3)c2C1 ZINC001164799643 721599646 /nfs/dbraw/zinc/59/96/46/721599646.db2.gz JJJJVPSBTKZHJA-UHFFFAOYSA-N 0 0 444.913 5.090 20 0 IKADRN Cc1cncc(COC[C@@]23CCC[C@H]2CN(C(F)(F)c2cc(Cl)nc(Cl)c2)C3)c1 ZINC001164799031 721600431 /nfs/dbraw/zinc/60/04/31/721600431.db2.gz ILOIJZYYPWOWKL-JXFKEZNVSA-N 0 0 442.337 5.460 20 0 IKADRN Cc1cncc(COC[C@]23CCC[C@@H]2CN(C(F)(F)c2cc(Cl)cnc2Cl)C3)c1 ZINC001164797469 721600441 /nfs/dbraw/zinc/60/04/41/721600441.db2.gz AZUQHYMPPISQBH-OXQOHEQNSA-N 0 0 442.337 5.460 20 0 IKADRN Cc1cncc(COC[C@]23CCC[C@H]2CN(C(F)(F)c2cnc(Cl)c(Cl)c2)C3)c1 ZINC001164797848 721600511 /nfs/dbraw/zinc/60/05/11/721600511.db2.gz CMSQWDYXWJDYAA-OXJNMPFZSA-N 0 0 442.337 5.460 20 0 IKADRN Cc1cncc(COC[C@@]23CCC[C@H]2CN(C(F)(F)c2ccc(Cl)c(Cl)n2)C3)c1 ZINC001164803632 721601093 /nfs/dbraw/zinc/60/10/93/721601093.db2.gz WJABTCUHEXSLGY-JXFKEZNVSA-N 0 0 442.337 5.460 20 0 IKADRN Cc1cncc(COC[C@@]23CCC[C@H]2CN(C(F)(F)c2cc4cc[nH]c4c(Cl)n2)C3)c1 ZINC001164798343 721601303 /nfs/dbraw/zinc/60/13/03/721601303.db2.gz DUTDBWVXJQHKCH-AVRDEDQJSA-N 0 0 446.929 5.288 20 0 IKADRN Cc1cncc(COC[C@@]23CCC[C@H]2CN(C(F)(F)C2(c4ccc(Cl)nc4)CC2)C3)c1 ZINC001164799776 721601912 /nfs/dbraw/zinc/60/19/12/721601912.db2.gz KHHPQTQQPQUELF-UNMCSNQZSA-N 0 0 447.957 5.382 20 0 IKADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@@]4(CCCN4C(=O)C(C)C)C3)cnc2Cl)c1 ZINC001165008866 721728121 /nfs/dbraw/zinc/72/81/21/721728121.db2.gz SMFYPJIUFYQCJW-QHCPKHFHSA-N 0 0 447.957 5.483 20 0 IKADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@]4(CCCN4C(=O)C(C)C)C3)cnc2Cl)c1 ZINC001165008860 721728402 /nfs/dbraw/zinc/72/84/02/721728402.db2.gz SMFYPJIUFYQCJW-HSZRJFAPSA-N 0 0 447.957 5.483 20 0 IKADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1c(Cl)cc(Cl)nc1Cl)C2 ZINC001164907898 721749971 /nfs/dbraw/zinc/74/99/71/721749971.db2.gz CVIFKFGLZMGDMN-UHFFFAOYSA-N 0 0 437.758 5.225 20 0 IKADRN Cc1ccc2nc(Cl)cc(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)c2c1 ZINC001164908296 721751557 /nfs/dbraw/zinc/75/15/57/721751557.db2.gz GNGAXWLNZAUDDQ-UHFFFAOYSA-N 0 0 432.955 5.379 20 0 IKADRN Cc1ccc(F)c2cc(C)c(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)nc12 ZINC001164911782 721757412 /nfs/dbraw/zinc/75/74/12/721757412.db2.gz ZHAIVNRKNFQNDU-UHFFFAOYSA-N 0 0 430.527 5.173 20 0 IKADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)cc3cccc(F)c31)C2 ZINC001164910606 721766034 /nfs/dbraw/zinc/76/60/34/721766034.db2.gz JEHQMAGSVUWSKZ-UHFFFAOYSA-N 0 0 436.918 5.210 20 0 IKADRN Fc1cccc(-c2cc(C(F)(F)N3CCc4ncnc(C5CC5)c4CC3)cnc2Cl)c1 ZINC001164916104 721804384 /nfs/dbraw/zinc/80/43/84/721804384.db2.gz NPTUUGKXHFXYJW-UHFFFAOYSA-N 0 0 444.888 5.359 20 0 IKADRN O=C1Nc2c(cccc2F)C12CCN(C(F)(F)c1ccc3c(ccnc3Cl)c1)CC2 ZINC001165020860 721833091 /nfs/dbraw/zinc/83/30/91/721833091.db2.gz DVNGBIMNPMUXSX-UHFFFAOYSA-N 0 0 431.845 5.063 20 0 IKADRN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N(Cc1cccnc1)Cc1ccccn1 ZINC001165037545 721881025 /nfs/dbraw/zinc/88/10/25/721881025.db2.gz NZLZALMKXWNGAR-UHFFFAOYSA-N 0 0 446.288 5.478 20 0 IKADRN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N(Cc1cccnc1)Cc1ccccn1 ZINC001165036167 721881163 /nfs/dbraw/zinc/88/11/63/721881163.db2.gz KEBSXTCAQNBSQN-UHFFFAOYSA-N 0 0 437.881 5.339 20 0 IKADRN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N(Cc1cccnc1)Cc1ccccn1 ZINC001165035135 721881188 /nfs/dbraw/zinc/88/11/88/721881188.db2.gz CHOPJEVGCNHEHU-UHFFFAOYSA-N 0 0 446.288 5.478 20 0 IKADRN Cn1cc(-c2nc(Cl)ncc2C(F)(F)N2CC[C@@H](c3ccncc3)C2)c2ccccc21 ZINC001165043909 721927992 /nfs/dbraw/zinc/92/79/92/721927992.db2.gz QSWZBERHKCNUAT-MRXNPFEDSA-N 0 0 439.897 5.223 20 0 IKADRN FC(F)(c1ccccc1-c1nc(Cl)c2ccccc2n1)N1CC[C@@H](c2ccncc2)C1 ZINC001165040826 721929324 /nfs/dbraw/zinc/92/93/24/721929324.db2.gz PDTCQRCYROMOLU-QGZVFWFLSA-N 0 0 436.893 5.884 20 0 IKADRN c1cncc([C@@H]2CCCCN2c2nc(CN3CCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001165046400 721963728 /nfs/dbraw/zinc/96/37/28/721963728.db2.gz LDWWNOANFOHZDI-FQEVSTJZSA-N 0 0 433.625 5.293 20 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/nfs/dbraw/zinc/00/33/84/722003384.db2.gz MMHWNRZPIDEXKV-KGLIPLIRSA-N 0 0 435.305 5.110 20 0 IKADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3cc(Cl)ncc3Cl)C[C@H]21 ZINC001164952308 722003392 /nfs/dbraw/zinc/00/33/92/722003392.db2.gz MMHWNRZPIDEXKV-KBPBESRZSA-N 0 0 435.305 5.110 20 0 IKADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3ccc(Cl)nc3Cl)C[C@H]21 ZINC001164950710 722003438 /nfs/dbraw/zinc/00/34/38/722003438.db2.gz FQKKLJBHMNPPIZ-KBPBESRZSA-N 0 0 435.305 5.110 20 0 IKADRN Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(F)(F)c3cc(Cl)nc(Cl)c3)C[C@H]21 ZINC001164951681 722003457 /nfs/dbraw/zinc/00/34/57/722003457.db2.gz IPUFJFFZDUHQFN-HIFRSBDPSA-N 0 0 435.305 5.110 20 0 IKADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3ccc(Cl)nc3Cl)C[C@@H]21 ZINC001164950715 722003482 /nfs/dbraw/zinc/00/34/82/722003482.db2.gz FQKKLJBHMNPPIZ-UONOGXRCSA-N 0 0 435.305 5.110 20 0 IKADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3ccnc(Cl)c3Cl)C[C@@H]21 ZINC001164952462 722003496 /nfs/dbraw/zinc/00/34/96/722003496.db2.gz MOFMTIOEQKRZNB-UONOGXRCSA-N 0 0 435.305 5.110 20 0 IKADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3cc(Cl)ncc3Cl)C[C@@H]21 ZINC001164952313 722003552 /nfs/dbraw/zinc/00/35/52/722003552.db2.gz MMHWNRZPIDEXKV-UONOGXRCSA-N 0 0 435.305 5.110 20 0 IKADRN CSc1ccc(C(F)(F)N2C[C@H]3Cc4c(c(-c5ccccc5)nn4C)[C@H]3C2)nc1Cl ZINC001164951059 722004620 /nfs/dbraw/zinc/00/46/20/722004620.db2.gz GLAILDQIUZBBFD-CABCVRRESA-N 0 0 446.954 5.178 20 0 IKADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)C[C@H]21 ZINC001164952488 722005483 /nfs/dbraw/zinc/00/54/83/722005483.db2.gz MSMFIIBJLFUDDL-WMZOPIPTSA-N 0 0 440.925 5.032 20 0 IKADRN O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(F)(F)c1cc3ccccc3nc1Cl)CC2 ZINC001164974997 722091633 /nfs/dbraw/zinc/09/16/33/722091633.db2.gz QAIPZMSSINGGMY-GOSISDBHSA-N 0 0 447.957 5.346 20 0 IKADRN O=C1CC2(CCN(C(F)(F)c3ccnc(Cl)c3F)CC2)c2ccccc2N1CC1CC1 ZINC001164971705 722160789 /nfs/dbraw/zinc/16/07/89/722160789.db2.gz DHEXAAAGYCPGFV-UHFFFAOYSA-N 0 0 449.904 5.104 20 0 IKADRN CN1c2ccccc2[C@@]2(CCN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)C2)C1=O ZINC001164982099 722161951 /nfs/dbraw/zinc/16/19/51/722161951.db2.gz UHXLMCUNWNQLMC-QHCPKHFHSA-N 0 0 439.893 5.071 20 0 IKADRN CN1c2ccccc2[C@]2(CCN(C(F)(F)c3cnc(Cl)c(-c4cccs4)c3)C2)C1=O ZINC001164976441 722163236 /nfs/dbraw/zinc/16/32/36/722163236.db2.gz BWWYZYRVDRCYRN-OAQYLSRUSA-N 0 0 445.922 5.133 20 0 IKADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCC[C@@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164976912 722165390 /nfs/dbraw/zinc/16/53/90/722165390.db2.gz KTSZMVGBPJDKKR-DYESRHJHSA-N 0 0 439.934 5.096 20 0 IKADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCC[C@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001164976915 722165396 /nfs/dbraw/zinc/16/53/96/722165396.db2.gz KTSZMVGBPJDKKR-UWJYYQICSA-N 0 0 439.934 5.096 20 0 IKADRN FC(F)(N1CCC[C@@]2(C[C@@H](OCC3CCCC3)CO2)C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164980246 722166191 /nfs/dbraw/zinc/16/61/91/722166191.db2.gz XJLOYIAGLJKHNK-TZIWHRDSSA-N 0 0 440.962 5.190 20 0 IKADRN 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FC(F)(N1C[C@H]2[C@H](C1)c1ccccc1[C@H]2OCC1CC1)C1(c2ccc(Cl)nc2)CC1 ZINC001164978623 722172002 /nfs/dbraw/zinc/17/20/02/722172002.db2.gz RDRNTZTUPUUWHY-RZUBCFFCSA-N 0 0 430.926 5.556 20 0 IKADRN FC(F)(N1C[C@@H]2c3ccccc3[C@@H](OCC3CC3)[C@@H]2C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164980072 722172037 /nfs/dbraw/zinc/17/20/37/722172037.db2.gz WKOFZXBUNSXZQI-KCZVDYSFSA-N 0 0 430.926 5.556 20 0 IKADRN Fc1ccc2nc(C(F)(F)N3CCC4(CC(OCC5CC5)C4)CC3)nc(Cl)c2c1 ZINC001164978047 722172276 /nfs/dbraw/zinc/17/22/76/722172276.db2.gz PFYVOYWDKQGAOJ-UHFFFAOYSA-N 0 0 425.882 5.143 20 0 IKADRN Cc1sc2nc(CN3CCCC3)nc(N3CCC4(CC(OCC5CC5)C4)CC3)c2c1C ZINC001164974537 722172526 /nfs/dbraw/zinc/17/25/26/722172526.db2.gz FXTSYVOOVBPSBW-UHFFFAOYSA-N 0 0 440.657 5.080 20 0 IKADRN Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN([C@@H](F)c2ccnc(Cl)c2)CC1 ZINC001164990039 722189213 /nfs/dbraw/zinc/18/92/13/722189213.db2.gz IZKDFJOILOEXTB-JOCHJYFZSA-N 0 0 439.918 5.299 20 0 IKADRN Cc1ccc(C(F)(F)N2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)nc1Cl ZINC001165000302 722221431 /nfs/dbraw/zinc/22/14/31/722221431.db2.gz WEUVJTNIIFEGKM-HXUWFJFHSA-N 0 0 445.941 5.168 20 0 IKADRN Cc1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)c1C ZINC000016789455 556642453 /nfs/dbraw/zinc/64/24/53/556642453.db2.gz CAQMVPPPMUDIPT-UHFFFAOYSA-N 0 0 449.967 5.330 20 0 IKADRN Cc1cc(C)n(CCCCC[S@](=O)c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)n1 ZINC000011686746 562979040 /nfs/dbraw/zinc/97/90/40/562979040.db2.gz POQMHHDKXWTFHB-WJOKGBTCSA-N 0 0 432.593 5.535 20 0 IKADRN COc1cccc(NC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc32)c1 ZINC000024812983 563027416 /nfs/dbraw/zinc/02/74/16/563027416.db2.gz APZIIIPYXDJQON-UHFFFAOYSA-N 0 0 444.487 5.189 20 0 IKADRN CNC(=O)c1cc(Oc2cccc(NC(=S)Nc3ccc(Cl)cc3Cl)c2)ccn1 ZINC000095578987 563186884 /nfs/dbraw/zinc/18/68/84/563186884.db2.gz MFQJGOPSCKQJCF-UHFFFAOYSA-N 0 0 447.347 5.349 20 0 IKADRN Cc1cc(N2CCOCC2)ccc1NC(=O)N1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000170600044 569142630 /nfs/dbraw/zinc/14/26/30/569142630.db2.gz VVVXNOCDVDJZTJ-MHZLTWQESA-N 0 0 441.575 5.206 20 0 IKADRN OCC[C@H]1CC12CCN(C(F)(F)c1nc3cc(Cl)c(Cl)cc3nc1Cl)CC2 ZINC001164392383 718810896 /nfs/dbraw/zinc/81/08/96/718810896.db2.gz MIPWNMLUDBMXKP-JTQLQIEISA-N 0 0 436.717 5.124 20 0 IKADRN Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4c5ccccc5C(=O)[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164408691 718849590 /nfs/dbraw/zinc/84/95/90/718849590.db2.gz SMJBYOSRHRVALP-ZWKOTPCHSA-N 0 0 425.866 5.067 20 0 IKADRN COc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C(=O)c5ccccc5[C@H]4C3)cnc2Cl)c1 ZINC001164404552 718849885 /nfs/dbraw/zinc/84/98/85/718849885.db2.gz JXTUJQHVDLZXGW-RTWAWAEBSA-N 0 0 440.877 5.372 20 0 IKADRN O=C1Nc2ccccc2[C@@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)C[C@@H]12 ZINC001164409970 718856151 /nfs/dbraw/zinc/85/61/51/718856151.db2.gz YIDRIARIBSAEFA-RBUKOAKNSA-N 0 0 425.866 5.119 20 0 IKADRN O=C1Nc2ccccc2[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccs4)c3)C[C@@H]12 ZINC001164401161 718859842 /nfs/dbraw/zinc/85/98/42/718859842.db2.gz CORMNXWNNGMFSU-JKSUJKDBSA-N 0 0 431.895 5.181 20 0 IKADRN FC1(F)C[C@H]2CN(c3nc(CN4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@@H]21 ZINC001164409681 718870376 /nfs/dbraw/zinc/87/03/76/718870376.db2.gz SHUNTZQHHWISJN-HKUYNNGSSA-N 0 0 440.563 5.436 20 0 IKADRN FC1(F)C[C@H]2CN(c3nc(CN4CCCCC4)nc4scc(-c5ccccc5)c43)C[C@H]21 ZINC001164409684 718870553 /nfs/dbraw/zinc/87/05/53/718870553.db2.gz SHUNTZQHHWISJN-PKOBYXMFSA-N 0 0 440.563 5.436 20 0 IKADRN FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CC[C@H]3CCCO[C@@H]3C2)c(Cl)nn1 ZINC001164420255 718907291 /nfs/dbraw/zinc/90/72/91/718907291.db2.gz IPNVEKYCAMZZFP-SJKOYZFVSA-N 0 0 447.835 5.366 20 0 IKADRN Clc1nc2c(c(N3CCC4(C=Cc5ccccc54)CC3)n1)CN(Cc1ccccc1)C2 ZINC001164419516 718908417 /nfs/dbraw/zinc/90/84/17/718908417.db2.gz BPJNBLNYTBMRFR-UHFFFAOYSA-N 0 0 428.967 5.211 20 0 IKADRN O=C1CC2(CCN(C(F)(F)c3nc(Cl)c4ccccc4n3)CC2)c2cc(F)ccc21 ZINC001164424359 718936498 /nfs/dbraw/zinc/93/64/98/718936498.db2.gz OGAQTJXTDJKRHG-UHFFFAOYSA-N 0 0 431.845 5.092 20 0 IKADRN O=c1[nH]c2ccccc2n1C1CCN(C(F)(F)c2ccc(Cl)nc2C(F)(F)F)CC1 ZINC001164621166 719128776 /nfs/dbraw/zinc/12/87/76/719128776.db2.gz LMEDSYRPOCBMIV-UHFFFAOYSA-N 0 0 446.807 5.196 20 0 IKADRN CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4ccnc(Cl)c4Cl)C[C@@H]3O2)n1 ZINC001164639684 719260052 /nfs/dbraw/zinc/26/00/52/719260052.db2.gz QQIKFYDQIFCTQF-KCXAZCMYSA-N 0 0 443.325 5.203 20 0 IKADRN CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cc(Cl)nc(Cl)c4)C[C@H]3O2)n1 ZINC001164635031 719260071 /nfs/dbraw/zinc/26/00/71/719260071.db2.gz HKRGJQHRBGOURS-VBNZEHGJSA-N 0 0 443.325 5.203 20 0 IKADRN CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4cnc(Cl)cc4Cl)C[C@@H]3O2)n1 ZINC001164632864 719260116 /nfs/dbraw/zinc/26/01/16/719260116.db2.gz BKTHGNYRLVQVFP-DQYPLSBCSA-N 0 0 443.325 5.203 20 0 IKADRN CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4cc(Cl)nc(Cl)c4)C[C@@H]3O2)n1 ZINC001164635021 719260127 /nfs/dbraw/zinc/26/01/27/719260127.db2.gz HKRGJQHRBGOURS-KCXAZCMYSA-N 0 0 443.325 5.203 20 0 IKADRN CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cnc(Cl)cc4Cl)C[C@@H]3O2)n1 ZINC001164632875 719260153 /nfs/dbraw/zinc/26/01/53/719260153.db2.gz BKTHGNYRLVQVFP-ZLIFDBKOSA-N 0 0 443.325 5.203 20 0 IKADRN CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)C4(c5ccnc(Cl)c5)CC4)C[C@H]3O2)n1 ZINC001164632759 719263450 /nfs/dbraw/zinc/26/34/50/719263450.db2.gz AZNPKOIYECUFCS-ZYSHUDEJSA-N 0 0 448.945 5.125 20 0 IKADRN CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4cnc(Cl)c(C5CC5)c4)C[C@H]3O2)n1 ZINC001164640206 719263994 /nfs/dbraw/zinc/26/39/94/719263994.db2.gz RMQTZYXXFUFUMW-UIAACRFSSA-N 0 0 448.945 5.427 20 0 IKADRN FC(F)(c1ccnc(Cl)c1Cl)N1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164645226 719287524 /nfs/dbraw/zinc/28/75/24/719287524.db2.gz DRXXPFGZHQWAEK-LEWSCRJBSA-N 0 0 432.323 5.234 20 0 IKADRN FC(F)(c1ccc(Cl)nc1Cl)N1C[C@@H]2O[C@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164645498 719287579 /nfs/dbraw/zinc/28/75/79/719287579.db2.gz JIVSKPXLFWZQKZ-BPNCWPANSA-N 0 0 432.323 5.234 20 0 IKADRN FC(F)(c1cnc(Cl)cc1Cl)N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164645739 719287644 /nfs/dbraw/zinc/28/76/44/719287644.db2.gz LKOFHAKBKOOPSN-COLVAYQJSA-N 0 0 432.323 5.234 20 0 IKADRN FC(F)(c1cnc(Cl)cc1Cl)N1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164645741 719287663 /nfs/dbraw/zinc/28/76/63/719287663.db2.gz LKOFHAKBKOOPSN-NZVBXONLSA-N 0 0 432.323 5.234 20 0 IKADRN FC(F)(c1ccnc(Cl)c1Cl)N1C[C@@H]2O[C@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164645224 719287676 /nfs/dbraw/zinc/28/76/76/719287676.db2.gz DRXXPFGZHQWAEK-BPNCWPANSA-N 0 0 432.323 5.234 20 0 IKADRN FC(F)(c1cccc2ccnc(Cl)c21)N1C[C@@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164645769 719289204 /nfs/dbraw/zinc/28/92/04/719289204.db2.gz LOAKSNBRYNTQTC-QGTPRVQTSA-N 0 0 447.938 5.733 20 0 IKADRN FC(F)(c1nc2ccccc2nc1Cl)N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164647804 719289561 /nfs/dbraw/zinc/28/95/61/719289561.db2.gz RXEHPBFSTBGZDN-JCURWCKSSA-N 0 0 448.926 5.128 20 0 IKADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1C[C@@H]2O[C@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164645442 719289581 /nfs/dbraw/zinc/28/95/81/719289581.db2.gz ILJYMEXCXZCOMD-QEJZJMRPSA-N 0 0 436.915 5.062 20 0 IKADRN FC(F)(c1nc2ccccc2nc1Cl)N1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164647797 719289617 /nfs/dbraw/zinc/28/96/17/719289617.db2.gz RXEHPBFSTBGZDN-AFAVFJNCSA-N 0 0 448.926 5.128 20 0 IKADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164645441 719289623 /nfs/dbraw/zinc/28/96/23/719289623.db2.gz ILJYMEXCXZCOMD-NWANDNLSSA-N 0 0 436.915 5.062 20 0 IKADRN FC(F)(Sc1ccc(Cl)nc1)N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164646230 719290917 /nfs/dbraw/zinc/29/09/17/719290917.db2.gz NJYIUSSRJUPQBR-NILFDRSVSA-N 0 0 429.945 5.173 20 0 IKADRN FC(F)(c1cnc(Cl)c(C2CC2)c1)N1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164647981 719291227 /nfs/dbraw/zinc/29/12/27/719291227.db2.gz TZAMPPVCZMUKOH-DOPJRALCSA-N 0 0 437.943 5.458 20 0 IKADRN FC(F)(N1C[C@@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@H]2C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164647061 719291287 /nfs/dbraw/zinc/29/12/87/719291287.db2.gz QOGBGPXTIJUYJO-XKQJLSEDSA-N 0 0 437.943 5.155 20 0 IKADRN FC(F)(c1cc(Cl)nc2c1CCC2)N1C[C@@H]2O[C@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164646514 719291573 /nfs/dbraw/zinc/29/15/73/719291573.db2.gz OINCYHGDYPWFTG-IGNZVWTISA-N 0 0 437.943 5.069 20 0 IKADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3ccc(F)cc3n1)CC2 ZINC001164659916 719353580 /nfs/dbraw/zinc/35/35/80/719353580.db2.gz SMNGECLHQFUJCQ-UHFFFAOYSA-N 0 0 441.554 5.069 20 0 IKADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3cccc(C)c31)CC2 ZINC001164659588 719354260 /nfs/dbraw/zinc/35/42/60/719354260.db2.gz RBXSEGZUVOZFHQ-UHFFFAOYSA-N 0 0 437.591 5.238 20 0 IKADRN Cc1nc(CN2CCCC23CCN(C(F)(F)c2cnc(Cl)c(Cl)c2)CC3)cs1 ZINC001164693479 719804086 /nfs/dbraw/zinc/80/40/86/719804086.db2.gz UBZPFQPOOHVJBA-UHFFFAOYSA-N 0 0 447.382 5.333 20 0 IKADRN O=C1N(CC2CC2)CC[C@]12CCCN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001164819373 720278556 /nfs/dbraw/zinc/27/85/56/720278556.db2.gz QCLJSZDLBJYSHL-QHCPKHFHSA-N 0 0 445.941 5.176 20 0 IKADRN FC(F)(c1ccc2nc(Cl)cc(Cl)c2c1)N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164722560 720372472 /nfs/dbraw/zinc/37/24/72/720372472.db2.gz DMMKURLXBWEYNB-UXHICEINSA-N 0 0 449.332 5.335 20 0 IKADRN FC(F)(c1cc(Cl)nc(Cl)n1)N1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001164821831 720393767 /nfs/dbraw/zinc/39/37/67/720393767.db2.gz JCPJGHZIPOKWQP-KRWDZBQOSA-N 0 0 449.279 5.070 20 0 IKADRN Fc1ccc(Cl)nc1C(F)(F)N1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001164821422 720394136 /nfs/dbraw/zinc/39/41/36/720394136.db2.gz GLBGISREZZQCAI-SFHVURJKSA-N 0 0 431.836 5.161 20 0 IKADRN FC(F)(c1ccc(Cl)c(Cl)n1)N1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001164825101 720394972 /nfs/dbraw/zinc/39/49/72/720394972.db2.gz UBUCLYZTABZVMD-SFHVURJKSA-N 0 0 448.291 5.675 20 0 IKADRN Cc1ccc(Cl)nc1C(F)(F)N1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001164822228 720395335 /nfs/dbraw/zinc/39/53/35/720395335.db2.gz KTCKZGGVMOUQNB-LJQANCHMSA-N 0 0 427.873 5.330 20 0 IKADRN Cc1noc([C@@H]2CC[C@H]3[C@@H](CCN3C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)O2)n1 ZINC001164826162 720403068 /nfs/dbraw/zinc/40/30/68/720403068.db2.gz CNASOAZZTOVMDT-OTWHNJEPSA-N 0 0 446.885 5.137 20 0 IKADRN CC[C@H]1N(C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)CCC[C@@]12CCC(=O)N2 ZINC001164848146 720756715 /nfs/dbraw/zinc/75/67/15/720756715.db2.gz OHZAVIRMZNDNQN-WIYYLYMNSA-N 0 0 437.893 5.114 20 0 IKADRN CC[C@H]1N(C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)CCC[C@]12CCC(=O)N2 ZINC001164844492 720759224 /nfs/dbraw/zinc/75/92/24/720759224.db2.gz CDFYMNAYWGJICT-APWZRJJASA-N 0 0 425.932 5.036 20 0 IKADRN CC[C@@H]1N(C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)CCC[C@]12CCC(=O)N2 ZINC001164844500 720759609 /nfs/dbraw/zinc/75/96/09/720759609.db2.gz CDFYMNAYWGJICT-LPHOPBHVSA-N 0 0 425.932 5.036 20 0 IKADRN COC[C@]12CCC[C@H]1CN(C(F)(F)c1cnc(Cl)nc1-c1cn(C)c3ccccc13)C2 ZINC001164848420 720789573 /nfs/dbraw/zinc/78/95/73/720789573.db2.gz PJGXMTVBHAAHLN-OYHNWAKOSA-N 0 0 446.929 5.087 20 0 IKADRN COC[C@]12CCCO[C@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3cccs3)c1)C2 ZINC001164847276 720830242 /nfs/dbraw/zinc/83/02/42/720830242.db2.gz IOSFWZZSGJVRFB-PKOBYXMFSA-N 0 0 428.932 5.030 20 0 IKADRN COC[C@@]12CCCO[C@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3cccs3)c1)C2 ZINC001164847269 720830420 /nfs/dbraw/zinc/83/04/20/720830420.db2.gz IOSFWZZSGJVRFB-HKUYNNGSSA-N 0 0 428.932 5.030 20 0 IKADRN Cc1nc([C@H]2COCCN2C(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)cs1 ZINC001164754050 720865276 /nfs/dbraw/zinc/86/52/76/720865276.db2.gz ZUMJISKUXROPJD-GOSISDBHSA-N 0 0 439.890 5.429 20 0 IKADRN Cc1nc([C@@H]2COCCN2C(F)(F)c2cnc(Cl)c(-c3ccccc3F)c2)cs1 ZINC001164753844 720865296 /nfs/dbraw/zinc/86/52/96/720865296.db2.gz YQUSZFFVFDSBNE-SFHVURJKSA-N 0 0 439.890 5.429 20 0 IKADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCC[C@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001164767369 721057941 /nfs/dbraw/zinc/05/79/41/721057941.db2.gz GXZAICBWVXIKOO-JTSKRJEESA-N 0 0 429.898 5.371 20 0 IKADRN C[C@@H]1c2ncc(COCC3CC3)n2CCN1C(F)(F)c1ccc2ccnc(Cl)c2c1 ZINC001164871264 721241093 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ZGZJAJLMXFSDEB-VKJFTORMSA-N 0 0 426.294 5.030 20 0 IKADRN FC(F)(c1cc(C2CC2)nnc1Cl)N1C[C@H]2[C@H](C1)c1ccccc1[C@H]2OCC1CC1 ZINC001164975175 722171563 /nfs/dbraw/zinc/17/15/63/722171563.db2.gz HTHPPGAOWIHQMM-LVCYWYKZSA-N 0 0 431.914 5.254 20 0 IKADRN FC(F)(c1cc(C2CC2)nnc1Cl)N1C[C@@H]2c3ccccc3[C@H](OCC3CC3)[C@@H]2C1 ZINC001164975178 722171565 /nfs/dbraw/zinc/17/15/65/722171565.db2.gz HTHPPGAOWIHQMM-OPYAIIAOSA-N 0 0 431.914 5.254 20 0 IKADRN FC(F)(N1C[C@H]2[C@H](C1)c1ccccc1[C@H]2OCC1CC1)C1(c2ccnc(Cl)c2)CC1 ZINC001164980075 722171975 /nfs/dbraw/zinc/17/19/75/722171975.db2.gz WKOFZXBUNSXZQI-RZUBCFFCSA-N 0 0 430.926 5.556 20 0 IKADRN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CCC2(CC(OCC3CC3)C2)CC1 ZINC001164974753 722172270 /nfs/dbraw/zinc/17/22/70/722172270.db2.gz HGHYRIAOAJUPTO-UHFFFAOYSA-N 0 0 442.337 5.657 20 0 IKADRN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCC3(CC(OCC4CC4)C3)CC2)n1 ZINC001164978742 722172495 /nfs/dbraw/zinc/17/24/95/722172495.db2.gz SFEMKTDRTPRVSK-UHFFFAOYSA-N 0 0 442.673 5.326 20 0 IKADRN FC(F)(c1cccc(-c2ccc(Cl)nn2)c1)N1CCC2(CC(OCC3CC3)C2)CC1 ZINC001164977021 722172546 /nfs/dbraw/zinc/17/25/46/722172546.db2.gz MJVUBVMHRQDTQK-UHFFFAOYSA-N 0 0 433.930 5.518 20 0 IKADRN CC(=O)N1CC2(CCN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)CC2)c2cc(C)ccc21 ZINC001164988203 722189871 /nfs/dbraw/zinc/18/98/71/722189871.db2.gz DLOBYGXJJPWQKI-UHFFFAOYSA-N 0 0 445.941 5.068 20 0 IKADRN Cc1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)C(=O)N(CC1CC1)[C@H]2c1ccccc1 ZINC001165000248 722221289 /nfs/dbraw/zinc/22/12/89/722221289.db2.gz VWRQLVBCGZLYTQ-NRFANRHFSA-N 0 0 445.941 5.168 20 0 IKADRN Cc1ccc(Cl)nc1C(F)(F)N1CCC2(CC1)C(=O)N(CC1CC1)[C@H]2c1ccccc1 ZINC001164999970 722221682 /nfs/dbraw/zinc/22/16/82/722221682.db2.gz UOVFZXAKHAUOIJ-NRFANRHFSA-N 0 0 445.941 5.168 20 0 IKADRN FC(F)(c1cc(C2CC2)nnc1Cl)N1CC[C@H](OCC2CC2)[C@H]1Cc1ccccc1 ZINC001165007722 722271950 /nfs/dbraw/zinc/27/19/50/722271950.db2.gz XNZVSWAWNBJZFR-RTWAWAEBSA-N 0 0 433.930 5.169 20 0 IKADRN FC(F)(c1cc(C2CC2)nnc1Cl)N1CC[C@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001165007725 722271952 /nfs/dbraw/zinc/27/19/52/722271952.db2.gz XNZVSWAWNBJZFR-SFTDATJTSA-N 0 0 433.930 5.169 20 0 IKADRN COc1ccc(CN(Cc2ccc(OC)cc2)C(=S)Nc2ccccc2Cl)cc1 ZINC000006289700 556084127 /nfs/dbraw/zinc/08/41/27/556084127.db2.gz BFRSWRFTKUKSNW-UHFFFAOYSA-N 0 0 426.969 5.756 20 0 IKADRN Cc1ccc(NC(=S)NC2CCC(NC(=S)Nc3ccc(C)cc3C)CC2)c(C)c1 ZINC000016238037 556594041 /nfs/dbraw/zinc/59/40/41/556594041.db2.gz ZDGKPIQHAVPUIF-UHFFFAOYSA-N 0 0 440.682 5.504 20 0 IKADRN CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 ZINC000003504294 562936345 /nfs/dbraw/zinc/93/63/45/562936345.db2.gz XNHXVLSNARLKHW-SFHVURJKSA-N 0 0 443.594 5.079 20 0 IKADRN Cc1cc(C)n(CCCCC[S@@](=O)c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)n1 ZINC000011686745 562979080 /nfs/dbraw/zinc/97/90/80/562979080.db2.gz POQMHHDKXWTFHB-HKBQPEDESA-N 0 0 432.593 5.535 20 0 investigational IKADRN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1cccc(Br)c1 ZINC000045372775 563133551 /nfs/dbraw/zinc/13/35/51/563133551.db2.gz VVZFUIJMIHCDEN-UHFFFAOYSA-N 0 0 440.124 5.649 20 0 IKADRN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1cccc(NC(=O)c2ccncc2)c1 ZINC000058819424 563146108 /nfs/dbraw/zinc/14/61/08/563146108.db2.gz CUZJDOKGMLXGME-ZDUSSCGKSA-N 0 0 430.291 5.047 20 0 IKADRN O=C(CSc1nnc(-c2cccc3ccccc32)o1)c1ccc(Br)cc1 ZINC000059192045 563146372 /nfs/dbraw/zinc/14/63/72/563146372.db2.gz CPQVVOXTPGVIRI-UHFFFAOYSA-N 0 0 425.307 5.627 20 0 IKADRN CC(=O)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000078876730 563172841 /nfs/dbraw/zinc/17/28/41/563172841.db2.gz LQFOABUOGHOZAF-UHFFFAOYSA-N 0 0 426.394 5.413 20 0 IKADRN OCC[C@H]1CC12CCN(C(F)(F)c1ccccc1-c1nc(Cl)c3ccccc3n1)CC2 ZINC001164393032 718812236 /nfs/dbraw/zinc/81/22/36/718812236.db2.gz PPNUSSHHECVFFZ-INIZCTEOSA-N 0 0 443.925 5.484 20 0 IKADRN FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCC2(CCCc3ccccc32)CC1 ZINC001164387355 718813954 /nfs/dbraw/zinc/81/39/54/718813954.db2.gz GBAODNHSDFLEFZ-UHFFFAOYSA-N 0 0 434.943 5.245 20 0 IKADRN FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3COC[C@H]3C2)cnc1Cl ZINC001164389033 718820118 /nfs/dbraw/zinc/82/01/18/718820118.db2.gz GHZWUCJFGLCGAJ-CHWSQXEVSA-N 0 0 432.820 5.438 20 0 IKADRN O=C1Nc2ccccc2[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(F)cc4)c3)C[C@@H]12 ZINC001164403940 718858690 /nfs/dbraw/zinc/85/86/90/718858690.db2.gz NXNWHKFBYUGEHN-RBUKOAKNSA-N 0 0 443.856 5.258 20 0 IKADRN O=C1Nc2ccccc2[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(F)cc4)c3)C[C@H]12 ZINC001164403931 718858871 /nfs/dbraw/zinc/85/88/71/718858871.db2.gz NXNWHKFBYUGEHN-MOPGFXCFSA-N 0 0 443.856 5.258 20 0 IKADRN c1sc2nc(CN3CCCCC3)nc(N3CC[C@@H]4CCCO[C@@H]4C3)c2c1-c1ccccc1 ZINC001164420533 718902361 /nfs/dbraw/zinc/90/23/61/718902361.db2.gz KLMIZBBGIMDDQY-RBBKRZOGSA-N 0 0 448.636 5.350 20 0 IKADRN c1sc2nc(CN3CCCCC3)nc(N3CC[C@H]4CCCO[C@H]4C3)c2c1-c1ccccc1 ZINC001164420532 718902969 /nfs/dbraw/zinc/90/29/69/718902969.db2.gz KLMIZBBGIMDDQY-IRLDBZIGSA-N 0 0 448.636 5.350 20 0 IKADRN FC(F)(F)c1cccc(-c2cc(C(F)(F)N3CC[C@@H]4CCCO[C@@H]4C3)c(Cl)nn2)c1 ZINC001164420050 718906955 /nfs/dbraw/zinc/90/69/55/718906955.db2.gz GIIAVGDLPNGVRM-YVEFUNNKSA-N 0 0 447.835 5.366 20 0 IKADRN FC(F)(F)c1cccc(-c2cc(C(F)(F)N3CC[C@H]4CCCO[C@@H]4C3)c(Cl)nn2)c1 ZINC001164420048 718907224 /nfs/dbraw/zinc/90/72/24/718907224.db2.gz GIIAVGDLPNGVRM-SJKOYZFVSA-N 0 0 447.835 5.366 20 0 IKADRN FC(F)(F)c1cccc(-c2cc(C(F)(F)N3CC[C@H]4CCCO[C@H]4C3)c(Cl)nn2)c1 ZINC001164420045 718907510 /nfs/dbraw/zinc/90/75/10/718907510.db2.gz GIIAVGDLPNGVRM-PXAZEXFGSA-N 0 0 447.835 5.366 20 0 IKADRN O=C1CC2(CCN(C(F)(F)c3nc4ccccc4nc3Cl)CC2)c2cc(F)ccc21 ZINC001164425977 718937427 /nfs/dbraw/zinc/93/74/27/718937427.db2.gz ZNZADEYBOLAUSM-UHFFFAOYSA-N 0 0 431.845 5.092 20 0 IKADRN Cc1ncc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3ccccc3C(F)(F)F)c1)C2 ZINC001164448939 718992230 /nfs/dbraw/zinc/99/22/30/718992230.db2.gz KFJFCFIKANMHBG-UHFFFAOYSA-N 0 0 442.819 5.491 20 0 IKADRN CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4cc(Cl)ncc4Cl)C[C@H]3O2)n1 ZINC001164633540 719260067 /nfs/dbraw/zinc/26/00/67/719260067.db2.gz DDPNYMDHVUBZPI-OAUYIBNBSA-N 0 0 443.325 5.203 20 0 IKADRN CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4cnc(Cl)cc4Cl)C[C@H]3O2)n1 ZINC001164632870 719260121 /nfs/dbraw/zinc/26/01/21/719260121.db2.gz BKTHGNYRLVQVFP-OAUYIBNBSA-N 0 0 443.325 5.203 20 0 IKADRN CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4ccnc(Cl)c4Cl)C[C@@H]3O2)n1 ZINC001164639688 719260143 /nfs/dbraw/zinc/26/01/43/719260143.db2.gz QQIKFYDQIFCTQF-RCBQFDQVSA-N 0 0 443.325 5.203 20 0 IKADRN CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cc(Cl)nc(Cl)c4)C[C@@H]3O2)n1 ZINC001164635024 719260182 /nfs/dbraw/zinc/26/01/82/719260182.db2.gz HKRGJQHRBGOURS-RCBQFDQVSA-N 0 0 443.325 5.203 20 0 IKADRN CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4c[nH]c5nc(Cl)ccc45)C[C@H]3O2)n1 ZINC001164639512 719261401 /nfs/dbraw/zinc/26/14/01/719261401.db2.gz QHWCUGHRKDKFRR-JEBQAFNWSA-N 0 0 447.917 5.031 20 0 IKADRN CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cc5cc[nH]c5c(Cl)n4)C[C@@H]3O2)n1 ZINC001164633489 719262070 /nfs/dbraw/zinc/26/20/70/719262070.db2.gz DAFMCCVNNIDJCV-JQFCIGGWSA-N 0 0 447.917 5.031 20 0 IKADRN CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)Sc4ccc(Cl)nc4)C[C@@H]3O2)n1 ZINC001164634355 719263467 /nfs/dbraw/zinc/26/34/67/719263467.db2.gz FZMMTAKUTKPKPU-COXVUDFISA-N 0 0 440.947 5.143 20 0 IKADRN CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4cc(Cl)nc5c4CCC5)C[C@H]3O2)n1 ZINC001164640371 719263996 /nfs/dbraw/zinc/26/39/96/719263996.db2.gz SSDDBIIQKTXIPJ-VOBQZIQPSA-N 0 0 448.945 5.039 20 0 IKADRN FC(F)(c1ccc(Cl)nc1Cl)N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164645501 719287497 /nfs/dbraw/zinc/28/74/97/719287497.db2.gz JIVSKPXLFWZQKZ-ZLKJLUDKSA-N 0 0 432.323 5.234 20 0 IKADRN FC(F)(c1cc(Cl)nc(Cl)c1)N1C[C@@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164646063 719287636 /nfs/dbraw/zinc/28/76/36/719287636.db2.gz MXGXLIDEFWJMER-GDLCADMTSA-N 0 0 432.323 5.234 20 0 IKADRN FC(F)(c1ccc(Cl)nc1Cl)N1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164645500 719287664 /nfs/dbraw/zinc/28/76/64/719287664.db2.gz JIVSKPXLFWZQKZ-LEWSCRJBSA-N 0 0 432.323 5.234 20 0 IKADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164645309 719287901 /nfs/dbraw/zinc/28/79/01/719287901.db2.gz FWYFJYVNRYBNMO-JBBXEZCESA-N 0 0 448.926 5.128 20 0 IKADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1C[C@@H]2O[C@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164647408 719288212 /nfs/dbraw/zinc/28/82/12/719288212.db2.gz RVUGGTUEKLWXDQ-IGNZVWTISA-N 0 0 448.926 5.128 20 0 IKADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1C[C@@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164647414 719288733 /nfs/dbraw/zinc/28/87/33/719288733.db2.gz RVUGGTUEKLWXDQ-RZAIGCCYSA-N 0 0 448.926 5.128 20 0 IKADRN FC(F)(c1cccc2ccnc(Cl)c21)N1C[C@@H]2O[C@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164645770 719289173 /nfs/dbraw/zinc/28/91/73/719289173.db2.gz LOAKSNBRYNTQTC-WBAXXEDZSA-N 0 0 447.938 5.733 20 0 IKADRN FC(F)(c1nc2ccccc2nc1Cl)N1C[C@@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164647806 719289592 /nfs/dbraw/zinc/28/95/92/719289592.db2.gz RXEHPBFSTBGZDN-VUCTXSBTSA-N 0 0 448.926 5.128 20 0 IKADRN FC(F)(c1cc2ccccc2nc1Cl)N1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164645247 719289622 /nfs/dbraw/zinc/28/96/22/719289622.db2.gz FAVLBUPQGBRVST-ZOCIIQOWSA-N 0 0 447.938 5.733 20 0 IKADRN FC(F)(c1nc2ccccc2nc1Cl)N1C[C@@H]2O[C@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164647808 719289644 /nfs/dbraw/zinc/28/96/44/719289644.db2.gz RXEHPBFSTBGZDN-ZLIFDBKOSA-N 0 0 448.926 5.128 20 0 IKADRN FC(F)(N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164647052 719291030 /nfs/dbraw/zinc/29/10/30/719291030.db2.gz QOGBGPXTIJUYJO-IAOVAPTHSA-N 0 0 437.943 5.155 20 0 IKADRN FC(F)(N1C[C@@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@H]2C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164645360 719291160 /nfs/dbraw/zinc/29/11/60/719291160.db2.gz GSCWQDAWQWGVRN-XKQJLSEDSA-N 0 0 437.943 5.155 20 0 IKADRN CC(C)n1nc(CN(C)C)c2c1CN(c1cc(-c3ccccc3)c3ccccc3n1)CC2 ZINC001164653590 719314527 /nfs/dbraw/zinc/31/45/27/719314527.db2.gz WZMDNZVWDQGAQB-UHFFFAOYSA-N 0 0 425.580 5.304 20 0 IKADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Cl)nc(C)c1C)CC2 ZINC001164659662 719351244 /nfs/dbraw/zinc/35/12/44/719351244.db2.gz RMYWLTXVOSUVLM-UHFFFAOYSA-N 0 0 436.003 5.047 20 0 IKADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)c(Cl)cc1C)CC2 ZINC001164658933 719351649 /nfs/dbraw/zinc/35/16/49/719351649.db2.gz MCHCFBRJLVAUCK-UHFFFAOYSA-N 0 0 436.003 5.047 20 0 IKADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3ccc(F)cc3cn1)CC2 ZINC001164659988 719354602 /nfs/dbraw/zinc/35/46/02/719354602.db2.gz TWCPZQHTOOHPCG-UHFFFAOYSA-N 0 0 441.554 5.069 20 0 IKADRN CCOC[C@@H]1CN(C(F)(F)c2ccc3ccc(Cl)nc3c2)Cc2nn(CC3CC3)cc21 ZINC001164663028 719362987 /nfs/dbraw/zinc/36/29/87/719362987.db2.gz HCOPWVRTJIHTGU-KRWDZBQOSA-N 0 0 446.929 5.180 20 0 IKADRN CCOC[C@@H]1CN(C(F)(F)c2ccc3ccnc(Cl)c3c2)Cc2nn(CC3CC3)cc21 ZINC001164662716 719363024 /nfs/dbraw/zinc/36/30/24/719363024.db2.gz FJQKSHUDWKTOSP-KRWDZBQOSA-N 0 0 446.929 5.180 20 0 IKADRN CCOC[C@H]1CN(C(F)(F)c2ccc3ccnc(Cl)c3c2)Cc2nn(CC3CC3)cc21 ZINC001164662717 719363183 /nfs/dbraw/zinc/36/31/83/719363183.db2.gz FJQKSHUDWKTOSP-QGZVFWFLSA-N 0 0 446.929 5.180 20 0 IKADRN CCOC[C@H]1CN(C(F)(F)c2cccc3ccnc(Cl)c32)Cc2nn(CC3CC3)cc21 ZINC001164664824 719363454 /nfs/dbraw/zinc/36/34/54/719363454.db2.gz SMMXTABRWSDWFK-QGZVFWFLSA-N 0 0 446.929 5.180 20 0 IKADRN CCOC[C@H]1CN(C(F)(F)c2cccc3c(Cl)nccc32)Cc2nn(CC3CC3)cc21 ZINC001164665852 719363619 /nfs/dbraw/zinc/36/36/19/719363619.db2.gz YZLZUWYUWWKLCV-MRXNPFEDSA-N 0 0 446.929 5.180 20 0 IKADRN Fc1ccc(CN2CCOCC23CCN(c2nccc4cc(F)c(Cl)cc42)CC3)cc1 ZINC001164677359 719531283 /nfs/dbraw/zinc/53/12/83/719531283.db2.gz CZTAXAROLPLRRW-UHFFFAOYSA-N 0 0 443.925 5.038 20 0 IKADRN Cc1nc(CN2CCCC23CCN(C(F)(F)c2cc(Cl)ncc2Cl)CC3)cs1 ZINC001164692877 719803855 /nfs/dbraw/zinc/80/38/55/719803855.db2.gz QJSMYFLJMOCOKO-UHFFFAOYSA-N 0 0 447.382 5.333 20 0 IKADRN FC(F)(c1cc(Cl)cnc1Cl)N1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001164821327 720393412 /nfs/dbraw/zinc/39/34/12/720393412.db2.gz FUILAPKKKOLARX-GOSISDBHSA-N 0 0 448.291 5.675 20 0 IKADRN FC(F)(c1cc(Cl)cnc1Cl)N1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001164821329 720393483 /nfs/dbraw/zinc/39/34/83/720393483.db2.gz FUILAPKKKOLARX-SFHVURJKSA-N 0 0 448.291 5.675 20 0 IKADRN Fc1ccc(C(F)(F)N2CCC(F)(F)[C@]3(CCN(c4ccccc4)C3)C2)nc1Cl ZINC001164826105 720394157 /nfs/dbraw/zinc/39/41/57/720394157.db2.gz WWBBIUCPJDIOFQ-SFHVURJKSA-N 0 0 431.836 5.161 20 0 IKADRN FC(F)(c1cnc(Cl)cc1Cl)N1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001164826838 720394439 /nfs/dbraw/zinc/39/44/39/720394439.db2.gz XSYHUHVVRMZGAJ-SFHVURJKSA-N 0 0 448.291 5.675 20 0 IKADRN FC(F)(c1cnc(Cl)cc1Cl)N1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001164826836 720394512 /nfs/dbraw/zinc/39/45/12/720394512.db2.gz XSYHUHVVRMZGAJ-GOSISDBHSA-N 0 0 448.291 5.675 20 0 IKADRN FC(F)(c1ccc(Cl)c(Cl)n1)N1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001164825098 720394803 /nfs/dbraw/zinc/39/48/03/720394803.db2.gz UBUCLYZTABZVMD-GOSISDBHSA-N 0 0 448.291 5.675 20 0 IKADRN FC1(F)CCN(c2nc(Cl)ccc2CN2CCCC2)C[C@]12CCN(c1ccccc1)C2 ZINC001164824419 720394982 /nfs/dbraw/zinc/39/49/82/720394982.db2.gz RKNMKFYTQJJVRH-HSZRJFAPSA-N 0 0 446.973 5.073 20 0 IKADRN Cc1nc(C(F)(F)N2CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C2)nc(Cl)c1C ZINC001164822214 720395272 /nfs/dbraw/zinc/39/52/72/720395272.db2.gz KQVJNPCQLPTAFL-LJQANCHMSA-N 0 0 442.888 5.034 20 0 IKADRN Cc1nc(C(F)(F)N2CCC(F)(F)[C@]3(CCN(c4ccccc4)C3)C2)nc(Cl)c1C ZINC001164822210 720395346 /nfs/dbraw/zinc/39/53/46/720395346.db2.gz KQVJNPCQLPTAFL-IBGZPJMESA-N 0 0 442.888 5.034 20 0 IKADRN Cc1noc([C@@H]2CC[C@H]3[C@H](CCN3C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)O2)n1 ZINC001164826161 720402860 /nfs/dbraw/zinc/40/28/60/720402860.db2.gz CNASOAZZTOVMDT-FHWLQOOXSA-N 0 0 446.885 5.137 20 0 IKADRN FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164728919 720487323 /nfs/dbraw/zinc/48/73/23/720487323.db2.gz PORGCHNDYQPNFU-MOPGFXCFSA-N 0 0 446.954 5.257 20 0 IKADRN CC(C)c1ccc(-c2cc(C(F)(F)N3CCC4(CCCC(=O)N4)CC3)c(Cl)nn2)cc1 ZINC001164837446 720734194 /nfs/dbraw/zinc/73/41/94/720734194.db2.gz JUABNUSRDKBOBY-UHFFFAOYSA-N 0 0 448.945 5.104 20 0 IKADRN CC(C)(c1ccnc(Cl)c1)N1Cc2ccccc2C2(CCN(C(=O)c3ccco3)CC2)C1 ZINC001164841846 720746292 /nfs/dbraw/zinc/74/62/92/720746292.db2.gz AHENIWGENHLBER-UHFFFAOYSA-N 0 0 449.982 5.253 20 0 IKADRN O=C1CC[C@@H]2[C@@H](CCN2C(F)(F)c2ccc(Cl)nc2C(F)(F)F)N1c1ccccc1 ZINC001164846436 720768493 /nfs/dbraw/zinc/76/84/93/720768493.db2.gz IVIJLHMWNDUWES-HUUCEWRRSA-N 0 0 445.819 5.073 20 0 IKADRN COC[C@@]12CCC[C@@H]1CN(C(F)(F)c1cnc(Cl)nc1-c1cn(C)c3ccccc13)C2 ZINC001164848422 720788633 /nfs/dbraw/zinc/78/86/33/720788633.db2.gz PJGXMTVBHAAHLN-QRQCRPRQSA-N 0 0 446.929 5.087 20 0 IKADRN Cc1cccc(CN2CC[C@]3(CCN(C(F)(F)c4cnc(Cl)c(C5CC5)c4)C3)C2=O)c1 ZINC001164849072 720808990 /nfs/dbraw/zinc/80/89/90/720808990.db2.gz FBHLRNWEHMUZGL-HSZRJFAPSA-N 0 0 445.941 5.095 20 0 IKADRN Cc1cccc(CN2CC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(C5CC5)c4)C3)C2=O)c1 ZINC001164849157 720809064 /nfs/dbraw/zinc/80/90/64/720809064.db2.gz FBHLRNWEHMUZGL-QHCPKHFHSA-N 0 0 445.941 5.095 20 0 IKADRN COC[C@]12CCCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(F)cc3)c1)C2 ZINC001164848018 720828628 /nfs/dbraw/zinc/82/86/28/720828628.db2.gz LNOZODQLLYVMOJ-TZIWHRDSSA-N 0 0 440.893 5.108 20 0 IKADRN COC[C@]12CCCO[C@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(F)cc3)c1)C2 ZINC001164848016 720828678 /nfs/dbraw/zinc/82/86/78/720828678.db2.gz LNOZODQLLYVMOJ-PZJWPPBQSA-N 0 0 440.893 5.108 20 0 IKADRN Cc1nc([C@H]2COCCN2C(F)(F)c2ccc3nc(Cl)cc(Cl)c3c2)cs1 ZINC001164748228 720862796 /nfs/dbraw/zinc/86/27/96/720862796.db2.gz LFVMAFWMTJWWMM-MRXNPFEDSA-N 0 0 430.307 5.429 20 0 IKADRN Cc1nc([C@@H]2COCCN2C(F)(F)c2ccc3nc(Cl)cc(Cl)c3c2)cs1 ZINC001164748216 720862992 /nfs/dbraw/zinc/86/29/92/720862992.db2.gz LFVMAFWMTJWWMM-INIZCTEOSA-N 0 0 430.307 5.429 20 0 IKADRN Cc1nc([C@H]2COCCN2C(F)(F)c2cnc(Cl)c(-c3ccccc3F)c2)cs1 ZINC001164753841 720865010 /nfs/dbraw/zinc/86/50/10/720865010.db2.gz YQUSZFFVFDSBNE-GOSISDBHSA-N 0 0 439.890 5.429 20 0 IKADRN Cc1nc([C@H]2COCCN2C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)cs1 ZINC001164752939 720865767 /nfs/dbraw/zinc/86/57/67/720865767.db2.gz NPEJHHUEDSLTHI-OAHLLOKOSA-N 0 0 427.929 5.351 20 0 IKADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCC[C@@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001164767372 721058008 /nfs/dbraw/zinc/05/80/08/721058008.db2.gz GXZAICBWVXIKOO-VGOFRKELSA-N 0 0 429.898 5.371 20 0 IKADRN C[C@@H]1c2ncc(COCC3CC3)n2CCN1C(F)(F)c1cc2ccccc2nc1Cl ZINC001164874043 721241915 /nfs/dbraw/zinc/24/19/15/721241915.db2.gz SLMGLIWAGRUSRT-CQSZACIVSA-N 0 0 432.902 5.137 20 0 IKADRN FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001164873157 721247267 /nfs/dbraw/zinc/24/72/67/721247267.db2.gz GLSLYBSRKBZUCS-NRSPTQNISA-N 0 0 445.897 5.033 20 0 IKADRN Cc1cccc(N2CCC[C@@]3(C2)CN(C(F)(F)C2(c4ccnc(Cl)c4)CC2)CCO3)c1 ZINC001164774509 721305496 /nfs/dbraw/zinc/30/54/96/721305496.db2.gz DMZTZZCNSWUZBI-JOCHJYFZSA-N 0 0 447.957 5.039 20 0 IKADRN Fc1ccc(-c2ncnc3c2CCN(C(F)(F)c2ccc(Cl)nc2Cl)CC3)cc1 ZINC001164775635 721314911 /nfs/dbraw/zinc/31/49/11/721314911.db2.gz HBTBYJJVTSWHHB-UHFFFAOYSA-N 0 0 439.268 5.135 20 0 IKADRN Fc1ccc(-c2ncnc3c2CCN(C(F)(F)c2cc(Cl)ncc2Cl)CC3)cc1 ZINC001164776673 721314963 /nfs/dbraw/zinc/31/49/63/721314963.db2.gz OLDORJQAXZHURB-UHFFFAOYSA-N 0 0 439.268 5.135 20 0 IKADRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2cc(Cl)c(Cl)nc2Cl)N1c1ccsc1 ZINC001164881488 721357595 /nfs/dbraw/zinc/35/75/95/721357595.db2.gz CSRDMPKJPHDYKL-NWDGAFQWSA-N 0 0 438.714 5.032 20 0 IKADRN c1csc(CN2C[C@@H]3CN(c4ccc(-c5ccc(C6CCCCC6)cc5)nn4)C[C@@H]3C2)n1 ZINC001164788815 721433562 /nfs/dbraw/zinc/43/35/62/721433562.db2.gz SWCNNWJVFSLGFC-ZRZAMGCNSA-N 0 0 445.636 5.216 20 0 IKADRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)CC[C@H]21 ZINC001164888936 721463483 /nfs/dbraw/zinc/46/34/83/721463483.db2.gz GKMBVYCFIRMQID-UYAOXDASSA-N 0 0 433.930 5.030 20 0 IKADRN Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[C@@H](CCN4C(=O)C(C)C)C3)cnc2Cl)c1 ZINC001164887578 721467955 /nfs/dbraw/zinc/46/79/55/721467955.db2.gz BYDAAMOFXSONKB-RXVVDRJESA-N 0 0 447.957 5.339 20 0 IKADRN FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1C[C@@H]2CCC[C@@H](OCC3CC3)[C@H]2C1 ZINC001164900654 721499353 /nfs/dbraw/zinc/49/93/53/721499353.db2.gz RKTXGMLWWBKYFM-DZFGPLHGSA-N 0 0 433.930 5.373 20 0 IKADRN Cc1cncc(COC[C@]23CCC[C@@H]2CN(C(F)(F)c2cc(Cl)nc(Cl)c2)C3)c1 ZINC001164799036 721600444 /nfs/dbraw/zinc/60/04/44/721600444.db2.gz ILOIJZYYPWOWKL-OXQOHEQNSA-N 0 0 442.337 5.460 20 0 IKADRN Cc1cncc(COC[C@]23CCC[C@H]2CN(C(F)(F)c2ccc(Cl)c(Cl)n2)C3)c1 ZINC001164803633 721601019 /nfs/dbraw/zinc/60/10/19/721601019.db2.gz WJABTCUHEXSLGY-OXJNMPFZSA-N 0 0 442.337 5.460 20 0 IKADRN Cc1cncc(COC[C@]23CCC[C@@H]2CN(C(F)(F)c2ccc(Cl)c(Cl)n2)C3)c1 ZINC001164803634 721601053 /nfs/dbraw/zinc/60/10/53/721601053.db2.gz WJABTCUHEXSLGY-OXQOHEQNSA-N 0 0 442.337 5.460 20 0 IKADRN Cc1cncc(COC[C@@]23CCC[C@@H]2CN(C(F)(F)c2c[nH]c4nc(Cl)ccc24)C3)c1 ZINC001164798323 721601113 /nfs/dbraw/zinc/60/11/13/721601113.db2.gz DJTLWRPNYGXCFW-VGSWGCGISA-N 0 0 446.929 5.288 20 0 IKADRN Cc1cncc(COC[C@]23CCC[C@H]2CN(C(F)(F)c2cc4cc[nH]c4c(Cl)n2)C3)c1 ZINC001164798350 721601295 /nfs/dbraw/zinc/60/12/95/721601295.db2.gz DUTDBWVXJQHKCH-PGRDOPGGSA-N 0 0 446.929 5.288 20 0 IKADRN Cc1cncc(COC[C@@]23CCC[C@@H]2CN(C(F)(F)c2cc(C4CC4)nnc2Cl)C3)c1 ZINC001164802834 721601476 /nfs/dbraw/zinc/60/14/76/721601476.db2.gz SOIHRKFIHYGJLW-GCJKJVERSA-N 0 0 448.945 5.079 20 0 IKADRN Cc1cncc(COC[C@@]23CCC[C@H]2CN(C(F)(F)c2cc(C4CC4)nnc2Cl)C3)c1 ZINC001164802831 721601497 /nfs/dbraw/zinc/60/14/97/721601497.db2.gz SOIHRKFIHYGJLW-AVRDEDQJSA-N 0 0 448.945 5.079 20 0 IKADRN CC(C)C(=O)N1CCC[C@]12CCN(C(F)(F)c1ccc3nc(Cl)cc(Cl)c3c1)C2 ZINC001165008351 721725360 /nfs/dbraw/zinc/72/53/60/721725360.db2.gz MBZUWUPUTJLSOW-HXUWFJFHSA-N 0 0 442.337 5.314 20 0 IKADRN CC(C)C(=O)N1CCC[C@@]12CCN(C(F)(F)Oc1ccccc1-c1cccc(Cl)n1)C2 ZINC001165009683 721727428 /nfs/dbraw/zinc/72/74/28/721727428.db2.gz YZOPVGQHVNGBNH-QFIPXVFZSA-N 0 0 449.929 5.054 20 0 IKADRN CC(C)C(=O)N1CCC[C@]12CCN(C(F)(F)Oc1ccccc1-c1cccc(Cl)n1)C2 ZINC001165009642 721727856 /nfs/dbraw/zinc/72/78/56/721727856.db2.gz YZOPVGQHVNGBNH-JOCHJYFZSA-N 0 0 449.929 5.054 20 0 IKADRN COc1cnc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)c2cc(Cl)ccc12 ZINC001164909596 721754524 /nfs/dbraw/zinc/75/45/24/721754524.db2.gz JKLDRAFKROXFJX-UHFFFAOYSA-N 0 0 448.954 5.080 20 0 IKADRN Cc1cc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)nc2cc(Cl)ccc12 ZINC001164911861 721756944 /nfs/dbraw/zinc/75/69/44/721756944.db2.gz ZTAWPEUTKRKNMQ-UHFFFAOYSA-N 0 0 432.955 5.379 20 0 IKADRN CC(C)c1nc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)cc(C(C)(C)C)n1 ZINC001164910897 721763286 /nfs/dbraw/zinc/76/32/86/721763286.db2.gz LVUBWGCADKEOND-UHFFFAOYSA-N 0 0 433.600 5.080 20 0 IKADRN O=C1Nc2c(cccc2F)C12CCN(C(F)(F)c1ccc3ccc(Cl)nc3c1)CC2 ZINC001165021736 721832891 /nfs/dbraw/zinc/83/28/91/721832891.db2.gz KDHMPZVRRFKGHG-UHFFFAOYSA-N 0 0 431.845 5.063 20 0 IKADRN O=C1Nc2c(cccc2F)C12CCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)CC2 ZINC001165020011 721833367 /nfs/dbraw/zinc/83/33/67/721833367.db2.gz ALKHKKGFBITCJF-UHFFFAOYSA-N 0 0 447.844 5.169 20 0 IKADRN Fc1ccc(OC2CCN(C(F)(F)c3nc(Cl)ncc3Cl)CC2)c(Cl)c1 ZINC001165033553 721879916 /nfs/dbraw/zinc/87/99/16/721879916.db2.gz RURZFBNPGLAVEY-UHFFFAOYSA-N 0 0 426.653 5.169 20 0 IKADRN FC(F)(c1ccc2nc(Cl)nc(Cl)c2c1)N(Cc1cccnc1)Cc1ccccn1 ZINC001165035068 721881060 /nfs/dbraw/zinc/88/10/60/721881060.db2.gz ADROQKPDFQMQPK-UHFFFAOYSA-N 0 0 446.288 5.478 20 0 IKADRN FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N(Cc1cccnc1)Cc1ccccn1 ZINC001165035644 721881532 /nfs/dbraw/zinc/88/15/32/721881532.db2.gz HAYXQXCNPMSLJV-UHFFFAOYSA-N 0 0 437.881 5.339 20 0 IKADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N(Cc1cccnc1)Cc1ccccn1 ZINC001165039143 721881549 /nfs/dbraw/zinc/88/15/49/721881549.db2.gz XRYLGSXNRMYHSJ-UHFFFAOYSA-N 0 0 437.881 5.339 20 0 IKADRN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N(Cc1cccnc1)Cc1ccccn1 ZINC001165037581 721881584 /nfs/dbraw/zinc/88/15/84/721881584.db2.gz OVJYRYXEMHNHHC-UHFFFAOYSA-N 0 0 437.881 5.339 20 0 IKADRN COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[C@@H](c3ccncc3)C2)cc1 ZINC001165041140 721928410 /nfs/dbraw/zinc/92/84/10/721928410.db2.gz ZOJIDQMNRRCMDD-QGZVFWFLSA-N 0 0 443.881 5.122 20 0 IKADRN FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CCC(c2nc3ccccc3s2)CC1 ZINC001165050367 721989030 /nfs/dbraw/zinc/98/90/30/721989030.db2.gz FHBDFHNRNQZNIT-UHFFFAOYSA-N 0 0 449.958 5.269 20 0 IKADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3ccnc(Cl)c3Cl)C[C@H]21 ZINC001164952458 722003414 /nfs/dbraw/zinc/00/34/14/722003414.db2.gz MOFMTIOEQKRZNB-KBPBESRZSA-N 0 0 435.305 5.110 20 0 IKADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)C[C@@H]21 ZINC001164952486 722005568 /nfs/dbraw/zinc/00/55/68/722005568.db2.gz MSMFIIBJLFUDDL-FUHWJXTLSA-N 0 0 440.925 5.032 20 0 IKADRN CSc1cnc(Cl)c(C(F)(F)N2CC[C@]3(CC(=O)N(c4ccc(C)s4)C3)C2)c1 ZINC001164964706 722044134 /nfs/dbraw/zinc/04/41/34/722044134.db2.gz UVEVRVJGHJIUHN-SFHVURJKSA-N 0 0 443.972 5.005 20 0 IKADRN O=C(NC1CCC1)C1C[C@@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)C[C@H]2C1 ZINC001164973473 722084740 /nfs/dbraw/zinc/08/47/40/722084740.db2.gz NYBGHKHCNKHSMQ-RTBURBONSA-N 0 0 445.941 5.078 20 0 IKADRN O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(F)(F)c1ccc3ccnc(Cl)c3c1)CC2 ZINC001164971786 722091211 /nfs/dbraw/zinc/09/12/11/722091211.db2.gz CUENQARXSCIWSF-GOSISDBHSA-N 0 0 447.957 5.346 20 0 IKADRN O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(C(F)(F)c1cc3ccccc3nc1Cl)CC2 ZINC001164974999 722091657 /nfs/dbraw/zinc/09/16/57/722091657.db2.gz QAIPZMSSINGGMY-SFHVURJKSA-N 0 0 447.957 5.346 20 0 IKADRN Cc1ccc(C(F)(F)N2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)nc1Cl ZINC001164973811 722161108 /nfs/dbraw/zinc/16/11/08/722161108.db2.gz MFNWUWCIVDLNMC-UHFFFAOYSA-N 0 0 445.941 5.273 20 0 IKADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCC[C@]2(C[C@@H](OCC3CCCC3)CO2)C1 ZINC001164976914 722165256 /nfs/dbraw/zinc/16/52/56/722165256.db2.gz KTSZMVGBPJDKKR-UTKZUKDTSA-N 0 0 439.934 5.096 20 0 IKADRN FC(F)(N1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164980244 722166273 /nfs/dbraw/zinc/16/62/73/722166273.db2.gz XJLOYIAGLJKHNK-PZJWPPBQSA-N 0 0 440.962 5.190 20 0 IKADRN FC(F)(c1cnc(Cl)nc1Cl)N1C[C@H]2[C@H](C1)c1ccccc1[C@H]2OCC1CC1 ZINC001164977431 722170113 /nfs/dbraw/zinc/17/01/13/722170113.db2.gz NTZWVWIDENVWCA-HLLBOEOZSA-N 0 0 426.294 5.030 20 0 IKADRN FC(F)(c1cc(Cl)nc(Cl)n1)N1C[C@@H]2c3ccccc3[C@H](OCC3CC3)[C@@H]2C1 ZINC001164974701 722170430 /nfs/dbraw/zinc/17/04/30/722170430.db2.gz GUWPHJQKCJBEFW-RKVPGOIHSA-N 0 0 426.294 5.030 20 0 IKADRN FC(F)(c1cc(C2CC2)nnc1Cl)N1C[C@@H]2[C@@H](OCC3CC3)c3ccccc3[C@H]2C1 ZINC001164975173 722171683 /nfs/dbraw/zinc/17/16/83/722171683.db2.gz HTHPPGAOWIHQMM-LQWHRVPQSA-N 0 0 431.914 5.254 20 0 IKADRN FC(F)(N1C[C@@H]2c3ccccc3[C@H](OCC3CC3)[C@@H]2C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164980078 722172031 /nfs/dbraw/zinc/17/20/31/722172031.db2.gz WKOFZXBUNSXZQI-SJBKTWHCSA-N 0 0 430.926 5.556 20 0 IKADRN FC(F)(c1ccc(-c2ccc(Cl)nn2)cc1)N1CCC2(CC(OCC3CC3)C2)CC1 ZINC001164981057 722172674 /nfs/dbraw/zinc/17/26/74/722172674.db2.gz ZWZVHYPYEXBMGN-UHFFFAOYSA-N 0 0 433.930 5.518 20 0 IKADRN COc1ccc2nc(C(F)(F)N3CCC4(CC(OCC5CC5)C4)CC3)nc(Cl)c2c1 ZINC001164977023 722172693 /nfs/dbraw/zinc/17/26/93/722172693.db2.gz MJWNBKRQPGGGKV-UHFFFAOYSA-N 0 0 437.918 5.012 20 0 IKADRN Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN([C@H](F)c2ccnc(Cl)c2)CC1 ZINC001164990040 722189237 /nfs/dbraw/zinc/18/92/37/722189237.db2.gz IZKDFJOILOEXTB-QFIPXVFZSA-N 0 0 439.918 5.299 20 0 IKADRN CC(=O)N1CC2(CCN(C(F)(F)c3ccc(Cl)nc3Cl)CC2)c2cc(C)ccc21 ZINC001164992232 722189476 /nfs/dbraw/zinc/18/94/76/722189476.db2.gz YIGWISZOOLZOHK-UHFFFAOYSA-N 0 0 440.321 5.146 20 0 IKADRN Fc1cccc(CN2CC[C@]23CCCN(C(F)(F)C2(c4ccnc(Cl)c4)CC2)C3)c1 ZINC001164995276 722213721 /nfs/dbraw/zinc/21/37/21/722213721.db2.gz HWPDYHILVWWIPO-NRFANRHFSA-N 0 0 435.921 5.239 20 0 IKADRN Fc1cccc(CN2CC[C@]23CCCN(C(F)(F)C2(c4ccc(Cl)nc4)CC2)C3)c1 ZINC001164994683 722213733 /nfs/dbraw/zinc/21/37/33/722213733.db2.gz CJHHCBHPRWIITI-NRFANRHFSA-N 0 0 435.921 5.239 20 0 IKADRN Fc1cccc(CN2CC[C@@]23CCCN(C(F)(F)C2(c4ccnc(Cl)c4)CC2)C3)c1 ZINC001164995278 722213775 /nfs/dbraw/zinc/21/37/75/722213775.db2.gz HWPDYHILVWWIPO-OAQYLSRUSA-N 0 0 435.921 5.239 20 0 IKADRN Cc1cc(C(F)(F)N2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)cc(Cl)n1 ZINC001164999517 722220843 /nfs/dbraw/zinc/22/08/43/722220843.db2.gz SRBASWOOOHPKRH-OAQYLSRUSA-N 0 0 445.941 5.168 20 0 IKADRN Cc1cc(Cl)nc(C(F)(F)N2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)c1 ZINC001164998960 722221439 /nfs/dbraw/zinc/22/14/39/722221439.db2.gz NILHRGXJGGOUDB-NRFANRHFSA-N 0 0 445.941 5.168 20 0 IKADRN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CC[C@H](OCC2CC2)[C@H]1Cc1ccccc1 ZINC001165006670 722271793 /nfs/dbraw/zinc/27/17/93/722271793.db2.gz QATQCHOJNBKQJY-SJORKVTESA-N 0 0 442.337 5.031 20 0 IKADRN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)/C=C\c1ccc(Cl)cc1 ZINC000033311481 522728914 /nfs/dbraw/zinc/72/89/14/522728914.db2.gz XXAYYJLUQHUYNJ-RAXLEYEMSA-N 0 0 436.895 5.261 20 0 IKADRN O=C(Nc1ccccc1)N1CCCCC[C@H]1C1CCN(c2ncnc3sccc32)CC1 ZINC000071889363 555723232 /nfs/dbraw/zinc/72/32/32/555723232.db2.gz UUEJJPVZQIBUKD-NRFANRHFSA-N 0 0 435.597 5.384 20 0 IKADRN CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 ZINC000003504291 562936340 /nfs/dbraw/zinc/93/63/40/562936340.db2.gz XNHXVLSNARLKHW-GOSISDBHSA-N 0 0 443.594 5.079 20 0 IKADRN CCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1CC ZINC000003788046 562937910 /nfs/dbraw/zinc/93/79/10/562937910.db2.gz NQZTZGNLFLQHKG-UHFFFAOYSA-N 0 0 434.584 5.812 20 0 IKADRN O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ncccc2C(F)(F)F)CC1 ZINC000013553799 562992950 /nfs/dbraw/zinc/99/29/50/562992950.db2.gz AKGNAODIGGNTEA-UHFFFAOYSA-N 0 0 442.441 5.247 20 0 IKADRN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc2ncccc2c1 ZINC000040935226 563112676 /nfs/dbraw/zinc/11/26/76/563112676.db2.gz MPBVMNIUVWBOBF-UHFFFAOYSA-N 0 0 449.432 6.067 20 0 IKADRN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1ccccc1Br ZINC000045392077 563134190 /nfs/dbraw/zinc/13/41/90/563134190.db2.gz MDJPUXHIEGHPKU-UHFFFAOYSA-N 0 0 440.124 5.649 20 0 IKADRN CNC(=O)c1cc(Oc2ccc(NC(=S)Nc3ccc(Cl)cc3Cl)cc2)ccn1 ZINC000084758904 563179777 /nfs/dbraw/zinc/17/97/77/563179777.db2.gz QSNHVQLEDLGGJU-UHFFFAOYSA-N 0 0 447.347 5.349 20 0 IKADRN Cc1cc(N2CCOCC2)ccc1NC(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000170600045 569142648 /nfs/dbraw/zinc/14/26/48/569142648.db2.gz VVVXNOCDVDJZTJ-HHHXNRCGSA-N 0 0 441.575 5.206 20 0 IKADRN Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C(=O)c5ccccc5[C@H]4C3)c(Cl)nn2)cc1 ZINC001164408688 718849611 /nfs/dbraw/zinc/84/96/11/718849611.db2.gz SMJBYOSRHRVALP-MSOLQXFVSA-N 0 0 425.866 5.067 20 0 IKADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@@H]4C(=O)c5ccccc5[C@H]4C3)c(Cl)nn2)c1 ZINC001164409975 718850008 /nfs/dbraw/zinc/85/00/08/718850008.db2.gz YIPSRGMDDZDKCK-MSOLQXFVSA-N 0 0 425.866 5.067 20 0 IKADRN O=C1Nc2ccccc2[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccs4)c3)C[C@H]12 ZINC001164401157 718859777 /nfs/dbraw/zinc/85/97/77/718859777.db2.gz CORMNXWNNGMFSU-CVEARBPZSA-N 0 0 431.895 5.181 20 0 IKADRN FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3CCCO[C@@H]3C2)c(Cl)nn1 ZINC001164420398 718907005 /nfs/dbraw/zinc/90/70/05/718907005.db2.gz IPNVEKYCAMZZFP-YVEFUNNKSA-N 0 0 447.835 5.366 20 0 IKADRN O=C1CC2(CCN(C(F)(F)c3nc(Cl)c4cccc(F)c4n3)CC2)c2cc(F)ccc21 ZINC001164422693 718937147 /nfs/dbraw/zinc/93/71/47/718937147.db2.gz BIWPLNWYBNCQQK-UHFFFAOYSA-N 0 0 449.835 5.231 20 0 IKADRN O=C1CC2(CCN(C(F)(F)c3ccc(Cl)nc3C(F)(F)F)CC2)c2cc(F)ccc21 ZINC001164425191 718938904 /nfs/dbraw/zinc/93/89/04/718938904.db2.gz TUUPMHOGKPGELC-UHFFFAOYSA-N 0 0 448.794 5.562 20 0 IKADRN O=C1CC2(CCN(C(F)(F)c3cnc(Cl)c(-c4ccco4)c3)CC2)c2cc(F)ccc21 ZINC001164423564 718939872 /nfs/dbraw/zinc/93/98/72/718939872.db2.gz IHQMBJZRERYTHU-UHFFFAOYSA-N 0 0 446.856 5.804 20 0 IKADRN F[C@@H](c1ccnc(Cl)c1)N1CCC(O[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1 ZINC001164621184 719130434 /nfs/dbraw/zinc/13/04/34/719130434.db2.gz LNVYASQFOBFUNA-XZOQPEGZSA-N 0 0 446.353 6.022 20 0 IKADRN CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4cc(Cl)cnc4Cl)C[C@@H]3O2)n1 ZINC001164632788 719260124 /nfs/dbraw/zinc/26/01/24/719260124.db2.gz BFKWNLHYOVKQQA-DQYPLSBCSA-N 0 0 443.325 5.203 20 0 IKADRN CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4ccnc(Cl)c4Cl)C[C@H]3O2)n1 ZINC001164639691 719260134 /nfs/dbraw/zinc/26/01/34/719260134.db2.gz QQIKFYDQIFCTQF-UHOFOFEASA-N 0 0 443.325 5.203 20 0 IKADRN CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4ccc(Cl)c(Cl)n4)C[C@H]3O2)n1 ZINC001164639779 719261229 /nfs/dbraw/zinc/26/12/29/719261229.db2.gz RLARCNBQCMDMPG-UHOFOFEASA-N 0 0 443.325 5.203 20 0 IKADRN CC(C)c1nccc([C@@H]2C[C@H]3CCN(C(F)(F)c4cc5cc[nH]c5c(Cl)n4)C[C@@H]3O2)n1 ZINC001164633481 719262162 /nfs/dbraw/zinc/26/21/62/719262162.db2.gz DAFMCCVNNIDJCV-COXVUDFISA-N 0 0 447.917 5.031 20 0 IKADRN CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)C4(c5ccnc(Cl)c5)CC4)C[C@@H]3O2)n1 ZINC001164632757 719263554 /nfs/dbraw/zinc/26/35/54/719263554.db2.gz AZNPKOIYECUFCS-SNRMKQJTSA-N 0 0 448.945 5.125 20 0 IKADRN CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cc(Cl)nc5c4CCC5)C[C@@H]3O2)n1 ZINC001164640360 719263683 /nfs/dbraw/zinc/26/36/83/719263683.db2.gz SSDDBIIQKTXIPJ-GKCIPKSASA-N 0 0 448.945 5.039 20 0 IKADRN FC(F)(c1cnc(Cl)c(Cl)c1)N1C[C@@H]2O[C@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164648579 719287272 /nfs/dbraw/zinc/28/72/72/719287272.db2.gz VNJGMGJEMMUICZ-LKTVYLICSA-N 0 0 432.323 5.234 20 0 IKADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164650246 719287645 /nfs/dbraw/zinc/28/76/45/719287645.db2.gz YKLIVESJBSZWEO-AFAVFJNCSA-N 0 0 448.926 5.128 20 0 IKADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1C[C@@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164650257 719287654 /nfs/dbraw/zinc/28/76/54/719287654.db2.gz YKLIVESJBSZWEO-VUCTXSBTSA-N 0 0 448.926 5.128 20 0 IKADRN FC(F)(c1cc(Cl)ncc1Cl)N1C[C@@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164649352 719287665 /nfs/dbraw/zinc/28/76/65/719287665.db2.gz WHDPXAJRGDUJFE-VQISRLSMSA-N 0 0 432.323 5.234 20 0 IKADRN FC(F)(c1cc(Cl)cnc1Cl)N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164645043 719287704 /nfs/dbraw/zinc/28/77/04/719287704.db2.gz ARDZQQASHLRPJF-COLVAYQJSA-N 0 0 432.323 5.234 20 0 IKADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164645311 719287993 /nfs/dbraw/zinc/28/79/93/719287993.db2.gz FWYFJYVNRYBNMO-UYHISHBKSA-N 0 0 448.926 5.128 20 0 IKADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164645209 719288222 /nfs/dbraw/zinc/28/82/22/719288222.db2.gz DOBNLHNKGHCALP-JBBXEZCESA-N 0 0 448.926 5.128 20 0 IKADRN FC(F)(c1ccc2ccc(Cl)nc2c1)N1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164645273 719288232 /nfs/dbraw/zinc/28/82/32/719288232.db2.gz FGUSWKLGILQYLG-ZOCIIQOWSA-N 0 0 447.938 5.733 20 0 IKADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164647412 719288291 /nfs/dbraw/zinc/28/82/91/719288291.db2.gz RVUGGTUEKLWXDQ-JBBXEZCESA-N 0 0 448.926 5.128 20 0 IKADRN FC(F)(c1ccc2ccc(Cl)nc2c1)N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164645270 719288320 /nfs/dbraw/zinc/28/83/20/719288320.db2.gz FGUSWKLGILQYLG-GDIGMMSISA-N 0 0 447.938 5.733 20 0 IKADRN FC(F)(c1ccc2ccnc(Cl)c2c1)N1C[C@@H]2O[C@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164645168 719288333 /nfs/dbraw/zinc/28/83/33/719288333.db2.gz DCIBGUVJYACECB-JVPBZIDWSA-N 0 0 447.938 5.733 20 0 IKADRN FC(F)(c1ccc(Cl)c(Cl)n1)N1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164646631 719288730 /nfs/dbraw/zinc/28/87/30/719288730.db2.gz PDFKWFQTYIRAHY-LEWSCRJBSA-N 0 0 432.323 5.234 20 0 IKADRN FC(F)(c1cccc2ccnc(Cl)c21)N1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164645768 719289036 /nfs/dbraw/zinc/28/90/36/719289036.db2.gz LOAKSNBRYNTQTC-JCGIZDLHSA-N 0 0 447.938 5.733 20 0 IKADRN CSc1cnc(Cl)c(C(F)(F)N2C[C@@H]3O[C@H](c4nc(C5CC5)cs4)C[C@H]3C2)c1 ZINC001164645040 719289937 /nfs/dbraw/zinc/28/99/37/719289937.db2.gz APCLMNVJLWICKP-UVBJJODRSA-N 0 0 443.972 5.302 20 0 IKADRN FC(F)(Sc1ccc(Cl)nc1)N1C[C@@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164646226 719290679 /nfs/dbraw/zinc/29/06/79/719290679.db2.gz NJYIUSSRJUPQBR-GLQYFDAESA-N 0 0 429.945 5.173 20 0 IKADRN FC(F)(Sc1ccc(Cl)nc1)N1C[C@@H]2O[C@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164646213 719290753 /nfs/dbraw/zinc/29/07/53/719290753.db2.gz NJYIUSSRJUPQBR-CQDKDKBSSA-N 0 0 429.945 5.173 20 0 IKADRN FC(F)(N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164645357 719290799 /nfs/dbraw/zinc/29/07/99/719290799.db2.gz GSCWQDAWQWGVRN-IAOVAPTHSA-N 0 0 437.943 5.155 20 0 IKADRN Cc1ccc(-c2nc3ccccc3c(N3CCc4c(CN(C)C)nn(C(C)C)c4C3)n2)s1 ZINC001164650482 719316000 /nfs/dbraw/zinc/31/60/00/719316000.db2.gz DWSDTJIKOLDXMY-UHFFFAOYSA-N 0 0 446.624 5.068 20 0 IKADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1c(Cl)ccnc1Cl)CC2 ZINC001164664528 719350066 /nfs/dbraw/zinc/35/00/66/719350066.db2.gz WZMYKOQZBZPDSB-UHFFFAOYSA-N 0 0 442.394 5.083 20 0 IKADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(C(C)(C)C)cn1)CC2 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CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(-c3ccccc3)ccn1)CC2 ZINC001164663121 719347272 /nfs/dbraw/zinc/34/72/72/719347272.db2.gz DSQSQYVYXPWYQC-UHFFFAOYSA-N 0 0 449.602 5.443 20 0 IKADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3ccccc3cc1C)CC2 ZINC001164664144 719347926 /nfs/dbraw/zinc/34/79/26/719347926.db2.gz SGYLYKVHXWECFZ-UHFFFAOYSA-N 0 0 437.591 5.238 20 0 IKADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc(F)c3ccccc31)CC2 ZINC001164658945 719350224 /nfs/dbraw/zinc/35/02/24/719350224.db2.gz MHDDPFUGDMRCRE-UHFFFAOYSA-N 0 0 441.554 5.069 20 0 IKADRN Fc1ccc(CN2CCOCC23CCN(c2c(Cl)cc(Cl)nc2Cl)CC3)cc1 ZINC001164671203 719499861 /nfs/dbraw/zinc/49/98/61/719499861.db2.gz CXFGUKTUXMSAMR-UHFFFAOYSA-N 0 0 444.765 5.052 20 0 IKADRN Fc1ccc(CN2CCOCC23CCN(c2cc(F)cc4ccc(Cl)nc42)CC3)cc1 ZINC001164674555 719508907 /nfs/dbraw/zinc/50/89/07/719508907.db2.gz ZTSQPFZGMRTQIZ-UHFFFAOYSA-N 0 0 443.925 5.038 20 0 IKADRN Cc1nc(CN2CCCC23CCN(C(F)(F)c2ccc(Cl)c(Cl)n2)CC3)cs1 ZINC001164692425 719808633 /nfs/dbraw/zinc/80/86/33/719808633.db2.gz GKOOXZGHOCQLIQ-UHFFFAOYSA-N 0 0 447.382 5.333 20 0 IKADRN Cc1nc(CN2CCCC23CCN(C(F)(F)Sc2ccc(Cl)nc2)CC3)cs1 ZINC001164703248 719816596 /nfs/dbraw/zinc/81/65/96/719816596.db2.gz UZTPKBXSLBBQQD-UHFFFAOYSA-N 0 0 445.004 5.273 20 0 IKADRN FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164729867 720355677 /nfs/dbraw/zinc/35/56/77/720355677.db2.gz YQTJKHOOBVCMCF-FGZHOGPDSA-N 0 0 440.925 5.195 20 0 IKADRN Cc1cc(C(F)(F)N2CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C2)cc(Cl)n1 ZINC001164826123 720393528 /nfs/dbraw/zinc/39/35/28/720393528.db2.gz XDAKYEZHPDHQNK-LJQANCHMSA-N 0 0 427.873 5.330 20 0 IKADRN FC(F)(c1cc(Cl)nc(Cl)c1)N1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001164824461 720393655 /nfs/dbraw/zinc/39/36/55/720393655.db2.gz SFXYIVJREOLNQY-GOSISDBHSA-N 0 0 448.291 5.675 20 0 IKADRN FC(F)(c1nc(Cl)cc(Cl)n1)N1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001164825995 720394171 /nfs/dbraw/zinc/39/41/71/720394171.db2.gz WGLDTLKHWZQMNC-QGZVFWFLSA-N 0 0 449.279 5.070 20 0 IKADRN COc1cc(C(F)(F)N2CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C2)cc(Cl)n1 ZINC001164821445 720394351 /nfs/dbraw/zinc/39/43/51/720394351.db2.gz GNBKGNUNRZALQE-LJQANCHMSA-N 0 0 443.872 5.031 20 0 IKADRN Cc1cc(Cl)ncc1C(F)(F)N1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001164822915 720394931 /nfs/dbraw/zinc/39/49/31/720394931.db2.gz NAFSHMLQPSVKAQ-LJQANCHMSA-N 0 0 427.873 5.330 20 0 IKADRN Cc1ccc(C(F)(F)N2CCC(F)(F)[C@]3(CCN(c4ccccc4)C3)C2)nc1Cl ZINC001164822393 720395229 /nfs/dbraw/zinc/39/52/29/720395229.db2.gz LWMCYTFUVOLRKQ-IBGZPJMESA-N 0 0 427.873 5.330 20 0 IKADRN FC(F)(c1cnc(Cl)c(-c2cccs2)c1)N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164728926 720487670 /nfs/dbraw/zinc/48/76/70/720487670.db2.gz PORGCHNDYQPNFU-RTBURBONSA-N 0 0 446.954 5.257 20 0 IKADRN CC[C@H]1N(C(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)CCC[C@]12CCC(=O)N2 ZINC001164850891 720756534 /nfs/dbraw/zinc/75/65/34/720756534.db2.gz YCTDRBTYVLHPQM-NQIIRXRSSA-N 0 0 437.893 5.114 20 0 IKADRN CC[C@H]1N(C(F)(F)c2cnc(Cl)c(-c3cccc(C)c3)c2)CCC[C@]12CCC(=O)N2 ZINC001164849014 720759691 /nfs/dbraw/zinc/75/96/91/720759691.db2.gz RWGISVOWDGOQTI-KNQAVFIVSA-N 0 0 433.930 5.283 20 0 IKADRN COC[C@@]12CCC[C@H]1CN(C(F)(F)c1cnc(Cl)nc1-c1cn(C)c3ccccc13)C2 ZINC001164848418 720789625 /nfs/dbraw/zinc/78/96/25/720789625.db2.gz PJGXMTVBHAAHLN-NYHFZMIOSA-N 0 0 446.929 5.087 20 0 IKADRN COC[C@@]12CCCO[C@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3ccccc3F)c1)C2 ZINC001164847716 720828673 /nfs/dbraw/zinc/82/86/73/720828673.db2.gz KHXKHLLAQDRQIT-FPOVZHCZSA-N 0 0 440.893 5.108 20 0 IKADRN COC[C@]12CCCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(F)c3)c1)C2 ZINC001164851184 720828735 /nfs/dbraw/zinc/82/87/35/720828735.db2.gz WPQJIUYECCQZGL-TZIWHRDSSA-N 0 0 440.893 5.108 20 0 IKADRN COC[C@@]12CCCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3ccccc3F)c1)C2 ZINC001164847714 720828800 /nfs/dbraw/zinc/82/88/00/720828800.db2.gz KHXKHLLAQDRQIT-CTNGQTDRSA-N 0 0 440.893 5.108 20 0 IKADRN COC[C@@]12CCCO[C@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(F)cc3)c1)C2 ZINC001164848014 720828806 /nfs/dbraw/zinc/82/88/06/720828806.db2.gz LNOZODQLLYVMOJ-FPOVZHCZSA-N 0 0 440.893 5.108 20 0 IKADRN FC(F)(c1nc2ccsc2c(Cl)n1)N1CCC[C@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001164764105 721058407 /nfs/dbraw/zinc/05/84/07/721058407.db2.gz BFLHYAWZNYCTBN-YWZLYKJASA-N 0 0 435.927 5.433 20 0 IKADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCC[C@@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001164774138 721058697 /nfs/dbraw/zinc/05/86/97/721058697.db2.gz UWPUJSVUPKYAFY-VGOFRKELSA-N 0 0 429.898 5.371 20 0 IKADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCC[C@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001164774142 721058723 /nfs/dbraw/zinc/05/87/23/721058723.db2.gz UWPUJSVUPKYAFY-VGSWGCGISA-N 0 0 429.898 5.371 20 0 IKADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCC[C@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001164771534 721059213 /nfs/dbraw/zinc/05/92/13/721059213.db2.gz MQCSUCXSXGIJPX-AVRDEDQJSA-N 0 0 429.898 5.371 20 0 IKADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCC[C@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001164771535 721059442 /nfs/dbraw/zinc/05/94/42/721059442.db2.gz MQCSUCXSXGIJPX-GCJKJVERSA-N 0 0 429.898 5.371 20 0 IKADRN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCC[C@@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001164766903 721060477 /nfs/dbraw/zinc/06/04/77/721060477.db2.gz GGUANLBGXACYRW-HTAPYJJXSA-N 0 0 445.897 5.478 20 0 IKADRN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCC[C@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001164766919 721060606 /nfs/dbraw/zinc/06/06/06/721060606.db2.gz GGUANLBGXACYRW-VGSWGCGISA-N 0 0 445.897 5.478 20 0 IKADRN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCC[C@@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001164766916 721060752 /nfs/dbraw/zinc/06/07/52/721060752.db2.gz GGUANLBGXACYRW-VGOFRKELSA-N 0 0 445.897 5.478 20 0 IKADRN C[C@H]1c2ncc(COCC3CC3)n2CCN1C(F)(F)c1ccc2ccc(Cl)nc2c1 ZINC001164870818 721240977 /nfs/dbraw/zinc/24/09/77/721240977.db2.gz CNNYYSSQYGBGPI-AWEZNQCLSA-N 0 0 432.902 5.137 20 0 IKADRN C[C@@H]1c2ncc(COCC3CC3)n2CCN1C(F)(F)c1ccc2ccc(Cl)nc2c1 ZINC001164870819 721241113 /nfs/dbraw/zinc/24/11/13/721241113.db2.gz CNNYYSSQYGBGPI-CQSZACIVSA-N 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CC(C)C(=O)N1CC[C@H]2CN(C(F)(F)c3cnc(Cl)c(C4CCCCC4)c3)CC[C@H]21 ZINC001164893641 721468220 /nfs/dbraw/zinc/46/82/20/721468220.db2.gz STMJJFVALHUGMZ-FXAWDEMLSA-N 0 0 439.978 5.411 20 0 IKADRN CN(C)C(=O)[C@H]1CC12CCN(C(F)(F)c1cnc(Cl)c(C3CCCCC3)c1)CC2 ZINC001164905478 721571573 /nfs/dbraw/zinc/57/15/73/721571573.db2.gz ZNIQJHRENNPLAL-GOSISDBHSA-N 0 0 425.951 5.022 20 0 IKADRN CC(C)NC(=O)C[C@H]1CC2(CCN([C@H](F)c3ccnc(Cl)c3)CC2)Oc2ccccc21 ZINC001164801364 721593269 /nfs/dbraw/zinc/59/32/69/721593269.db2.gz QMVXTBFBCAQZAD-MBSDFSHPSA-N 0 0 445.966 5.019 20 0 IKADRN Cc1cncc(COC[C@@]23CCC[C@H]2CN(C(F)(F)c2cc(Cl)cnc2Cl)C3)c1 ZINC001164797467 721600474 /nfs/dbraw/zinc/60/04/74/721600474.db2.gz AZUQHYMPPISQBH-JXFKEZNVSA-N 0 0 442.337 5.460 20 0 IKADRN Cc1cncc(COC[C@@]23CCC[C@H]2CN(C(F)(F)c2cnc(Cl)cc2Cl)C3)c1 ZINC001164800347 721600691 /nfs/dbraw/zinc/60/06/91/721600691.db2.gz LGEVUADLGQMDIL-JXFKEZNVSA-N 0 0 442.337 5.460 20 0 IKADRN Cc1cncc(COC[C@@]23CCC[C@@H]2CN(C(F)(F)c2cc4cc[nH]c4c(Cl)n2)C3)c1 ZINC001164798346 721601327 /nfs/dbraw/zinc/60/13/27/721601327.db2.gz DUTDBWVXJQHKCH-GCJKJVERSA-N 0 0 446.929 5.288 20 0 IKADRN Cc1cncc(COC[C@]23CCC[C@H]2CN(C(F)(F)c2cc(C4CC4)nnc2Cl)C3)c1 ZINC001164802836 721601492 /nfs/dbraw/zinc/60/14/92/721601492.db2.gz SOIHRKFIHYGJLW-PGRDOPGGSA-N 0 0 448.945 5.079 20 0 IKADRN Cc1cncc(COC[C@@]23CCC[C@@H]2CN(C(F)(F)C2(c4ccc(Cl)nc4)CC2)C3)c1 ZINC001164799774 721601871 /nfs/dbraw/zinc/60/18/71/721601871.db2.gz KHHPQTQQPQUELF-IRLDBZIGSA-N 0 0 447.957 5.382 20 0 IKADRN Cc1cncc(COC[C@]23CCC[C@H]2CN(C(F)(F)C2(c4ccc(Cl)nc4)CC2)C3)c1 ZINC001164799775 721601897 /nfs/dbraw/zinc/60/18/97/721601897.db2.gz KHHPQTQQPQUELF-RBBKRZOGSA-N 0 0 447.957 5.382 20 0 IKADRN CC(C)C(=O)N1CCC[C@@]12CCN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)C2 ZINC001165008778 721724770 /nfs/dbraw/zinc/72/47/70/721724770.db2.gz QKGJVMRLTYNCKC-QFIPXVFZSA-N 0 0 433.930 5.174 20 0 IKADRN Cc1ccc2c(c1)nc(Cl)cc2N1CCc2c(CN(C)Cc3ccco3)cncc2C1 ZINC001164910111 721756411 /nfs/dbraw/zinc/75/64/11/721756411.db2.gz MOJANORLBVFYSB-UHFFFAOYSA-N 0 0 432.955 5.379 20 0 IKADRN Cc1nc(C2CCCCC2)cc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)n1 ZINC001164909507 721759683 /nfs/dbraw/zinc/75/96/83/721759683.db2.gz GDIORAQZAOBDHL-UHFFFAOYSA-N 0 0 431.584 5.015 20 0 IKADRN CC[C@H](C)c1nc(Cl)c(C)c(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)n1 ZINC001164911578 721764877 /nfs/dbraw/zinc/76/48/77/721764877.db2.gz PPKXIFDZRQKHHP-INIZCTEOSA-N 0 0 439.991 5.135 20 0 IKADRN FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CCc2ncnc(C3CC3)c2CC1 ZINC001164916531 721803661 /nfs/dbraw/zinc/80/36/61/721803661.db2.gz QAKNSVAJGNQQPM-UHFFFAOYSA-N 0 0 426.898 5.220 20 0 IKADRN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N(Cc1cccnc1)Cc1ccccn1 ZINC001165038319 721881640 /nfs/dbraw/zinc/88/16/40/721881640.db2.gz RYDDGNLFVQNSRZ-UHFFFAOYSA-N 0 0 429.685 5.584 20 0 IKADRN FC(F)(c1cc(-c2cccs2)nnc1Cl)N(Cc1cccnc1)Cc1ccccn1 ZINC001165035532 721881645 /nfs/dbraw/zinc/88/16/45/721881645.db2.gz FQHTVPYSFMVRLE-UHFFFAOYSA-N 0 0 443.910 5.400 20 0 IKADRN c1cncc([C@H]2CCCCN2c2nc(CN3CCCC3)nc3sc4c(c32)CCCC4)c1 ZINC001165046401 721963555 /nfs/dbraw/zinc/96/35/55/721963555.db2.gz LDWWNOANFOHZDI-HXUWFJFHSA-N 0 0 433.625 5.293 20 0 IKADRN COc1cccc(-c2cc(C(F)(F)N3CCCC[C@H]3c3cccnc3)c(Cl)nn2)c1 ZINC001165046251 721964380 /nfs/dbraw/zinc/96/43/80/721964380.db2.gz JPVYOJJZXCWSNL-FQEVSTJZSA-N 0 0 430.886 5.477 20 0 IKADRN c1ccc(CN2CCc3c(ncnc3N3CCC(c4nc5ccccc5s4)CC3)C2)cc1 ZINC001165051676 721989063 /nfs/dbraw/zinc/98/90/63/721989063.db2.gz UGGFPMBSPCYKCO-UHFFFAOYSA-N 0 0 441.604 5.029 20 0 IKADRN CSc1nc(Cl)cc(C(F)(F)N2CCC(c3nc4ccccc4s3)CC2)n1 ZINC001165051688 721989095 /nfs/dbraw/zinc/98/90/95/721989095.db2.gz UWPOZVOFVQWFHD-UHFFFAOYSA-N 0 0 426.945 5.391 20 0 IKADRN Cc1cc(CN(C)C(F)(F)c2ccccc2-c2nc(Cl)c3ccccc3n2)n(C)n1 ZINC001165051420 721990655 /nfs/dbraw/zinc/99/06/55/721990655.db2.gz RACCGSJECBAMPZ-UHFFFAOYSA-N 0 0 427.886 5.173 20 0 IKADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3cnc(Cl)c(Cl)c3)C[C@@H]21 ZINC001164951166 722003274 /nfs/dbraw/zinc/00/32/74/722003274.db2.gz HBGRHBMFIYLXQW-DZGCQCFKSA-N 0 0 435.305 5.110 20 0 IKADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3cnc(Cl)cc3Cl)C[C@@H]21 ZINC001164951138 722003469 /nfs/dbraw/zinc/00/34/69/722003469.db2.gz GYFSIDSFRBVUDC-UONOGXRCSA-N 0 0 435.305 5.110 20 0 IKADRN Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C[C@H]21 ZINC001164953674 722005661 /nfs/dbraw/zinc/00/56/61/722005661.db2.gz SYUUZPFOCULYMT-AEFFLSMTSA-N 0 0 440.925 5.032 20 0 IKADRN Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(F)(F)C3(c4ccc(Cl)nc4)CC3)C[C@H]21 ZINC001164952480 722005719 /nfs/dbraw/zinc/00/57/19/722005719.db2.gz MSMFIIBJLFUDDL-AEFFLSMTSA-N 0 0 440.925 5.032 20 0 IKADRN Cc1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)CC(=O)N(CC1CC1)c1ccccc12 ZINC001164977141 722160748 /nfs/dbraw/zinc/16/07/48/722160748.db2.gz XMSZDPGDZROBHE-UHFFFAOYSA-N 0 0 445.941 5.273 20 0 IKADRN O=C1CC2(CCN(C(F)(F)c3nc(Cl)ccc3F)CC2)c2ccccc2N1CC1CC1 ZINC001164974785 722160759 /nfs/dbraw/zinc/16/07/59/722160759.db2.gz QKFHJVSVPWAKCJ-UHFFFAOYSA-N 0 0 449.904 5.104 20 0 IKADRN FC(F)(N1CCC[C@]2(C[C@@H](OCC3CCCC3)CO2)C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164980240 722166309 /nfs/dbraw/zinc/16/63/09/722166309.db2.gz XJLOYIAGLJKHNK-CTNGQTDRSA-N 0 0 440.962 5.190 20 0 IKADRN FC(F)(c1nc(Cl)cc(Cl)n1)N1C[C@@H]2c3ccccc3[C@H](OCC3CC3)[C@@H]2C1 ZINC001164980971 722170355 /nfs/dbraw/zinc/17/03/55/722170355.db2.gz ZGZJAJLMXFSDEB-RKVPGOIHSA-N 0 0 426.294 5.030 20 0 IKADRN FC(F)(c1cc(Cl)nc(Cl)n1)N1C[C@@H]2c3ccccc3[C@@H](OCC3CC3)[C@@H]2C1 ZINC001164974674 722170376 /nfs/dbraw/zinc/17/03/76/722170376.db2.gz GUWPHJQKCJBEFW-IIDMSEBBSA-N 0 0 426.294 5.030 20 0 IKADRN CSc1nc(Cl)cc(C(F)(F)N2C[C@@H]3c4ccccc4[C@H](OCC4CC4)[C@@H]3C2)n1 ZINC001164976048 722170435 /nfs/dbraw/zinc/17/04/35/722170435.db2.gz JFTVTJYYSNAFTK-MDZRGWNJSA-N 0 0 437.943 5.098 20 0 IKADRN FC(F)(N1C[C@@H]2c3ccccc3[C@@H](OCC3CC3)[C@@H]2C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164978614 722171940 /nfs/dbraw/zinc/17/19/40/722171940.db2.gz RDRNTZTUPUUWHY-KCZVDYSFSA-N 0 0 430.926 5.556 20 0 IKADRN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CCC2(CC(OCC3CC3)C2)CC1 ZINC001164975138 722172574 /nfs/dbraw/zinc/17/25/74/722172574.db2.gz HOHKYXQMIBGNTF-UHFFFAOYSA-N 0 0 433.930 5.518 20 0 IKADRN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CCC2(CC(OCC3CC3)C2)CC1 ZINC001164975268 722172699 /nfs/dbraw/zinc/17/26/99/722172699.db2.gz HZPMTTSMLMTPQV-UHFFFAOYSA-N 0 0 439.959 5.579 20 0 IKADRN CC(=O)N1CC2(CCN(C(F)(F)c3cc(Cl)ncc3Cl)CC2)c2cc(C)ccc21 ZINC001164990644 722189433 /nfs/dbraw/zinc/18/94/33/722189433.db2.gz MPYQZFYKTAWYCW-UHFFFAOYSA-N 0 0 440.321 5.146 20 0 IKADRN CC(=O)N1CC2(CCN(C(F)(F)c3ccnc(Cl)c3Cl)CC2)c2cc(C)ccc21 ZINC001164989334 722189453 /nfs/dbraw/zinc/18/94/53/722189453.db2.gz CAMUEZRWWYHHAB-UHFFFAOYSA-N 0 0 440.321 5.146 20 0 IKADRN Cc1ccc(Cl)nc1C(F)(F)N1CCC2(CC1)C(=O)N(CC1CC1)[C@@H]2c1ccccc1 ZINC001164999971 722221533 /nfs/dbraw/zinc/22/15/33/722221533.db2.gz UOVFZXAKHAUOIJ-OAQYLSRUSA-N 0 0 445.941 5.168 20 0 IKADRN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CC[C@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001165006669 722271828 /nfs/dbraw/zinc/27/18/28/722271828.db2.gz QATQCHOJNBKQJY-IRXDYDNUSA-N 0 0 442.337 5.031 20 0 IKADRN FC(F)(c1cc(C2CC2)nnc1Cl)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001165007710 722271936 /nfs/dbraw/zinc/27/19/36/722271936.db2.gz XNZVSWAWNBJZFR-LEWJYISDSA-N 0 0 433.930 5.169 20 0 IKADRN C[C@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)N1c2ccccc2Sc2ccccc21 ZINC000012833714 526008156 /nfs/dbraw/zinc/00/81/56/526008156.db2.gz YZNAWKMKQPYTQG-AWEZNQCLSA-N 0 0 449.532 6.186 20 0 IKADRN FC(F)(F)c1cc(NC(=S)N(Cc2ccccc2)Cc2ccccn2)ccc1Cl ZINC000020522378 527680585 /nfs/dbraw/zinc/68/05/85/527680585.db2.gz SPKULDHXZZQVRH-UHFFFAOYSA-N 0 0 435.902 6.153 20 0 IKADRN O=C(Nc1ccccc1)N1CCCCC[C@@H]1C1CCN(c2ncnc3sccc32)CC1 ZINC000071889362 555723022 /nfs/dbraw/zinc/72/30/22/555723022.db2.gz UUEJJPVZQIBUKD-OAQYLSRUSA-N 0 0 435.597 5.384 20 0 IKADRN CCOC(=O)Cn1cccc1-c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1 ZINC000000596743 562918386 /nfs/dbraw/zinc/91/83/86/562918386.db2.gz ISCHOARKJADAKJ-UHFFFAOYSA-N 0 0 448.544 5.526 20 0 in-man IKADRN O=C(Nc1cccc(C(=O)c2ccccc2)c1)c1ccn2c1CS[C@@H]2c1cccnc1 ZINC000002016001 562925587 /nfs/dbraw/zinc/92/55/87/562925587.db2.gz PQQFNXGONTVQLM-RUZDIDTESA-N 0 0 425.513 5.160 20 0 investigational IKADRN Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)Nc1c(C)cc(Br)cc1C ZINC000013587407 562995612 /nfs/dbraw/zinc/99/56/12/562995612.db2.gz DATBTZXMDPSUJS-UHFFFAOYSA-N 0 0 440.363 5.430 20 0 IKADRN O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1cc(Br)ccc1Cl ZINC000016969433 563021260 /nfs/dbraw/zinc/02/12/60/563021260.db2.gz LQXYRJKXWVWPRP-UHFFFAOYSA-N 0 0 443.168 5.234 20 0 IKADRN FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CC[C@@]3(CCOC3)C2)cnc1Cl ZINC001164390508 718808101 /nfs/dbraw/zinc/80/81/01/718808101.db2.gz QSFMEUGNLDVLMX-GOSISDBHSA-N 0 0 432.820 5.583 20 0 IKADRN OCC[C@@H]1CC12CCN(C(F)(F)c1ccccc1-c1nc(Cl)c3ccccc3n1)CC2 ZINC001164393033 718812329 /nfs/dbraw/zinc/81/23/29/718812329.db2.gz PPNUSSHHECVFFZ-MRXNPFEDSA-N 0 0 443.925 5.484 20 0 IKADRN Cc1ccc(-c2cc(C(F)(F)N3C[C@@H]4C(=O)c5ccccc5[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164408690 718849515 /nfs/dbraw/zinc/84/95/15/718849515.db2.gz SMJBYOSRHRVALP-ROUUACIJSA-N 0 0 425.866 5.067 20 0 IKADRN COc1cccc(-c2cc(C(F)(F)N3C[C@H]4C(=O)c5ccccc5[C@H]4C3)cnc2Cl)c1 ZINC001164404551 718849829 /nfs/dbraw/zinc/84/98/29/718849829.db2.gz JXTUJQHVDLZXGW-NHCUHLMSSA-N 0 0 440.877 5.372 20 0 IKADRN Cc1cccc(-c2cc(C(F)(F)N3C[C@H]4C(=O)c5ccccc5[C@H]4C3)c(Cl)nn2)c1 ZINC001164409978 718850029 /nfs/dbraw/zinc/85/00/29/718850029.db2.gz YIPSRGMDDZDKCK-QZTJIDSGSA-N 0 0 425.866 5.067 20 0 IKADRN O=C1Nc2ccccc2[C@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)C[C@@H]12 ZINC001164409972 718856238 /nfs/dbraw/zinc/85/62/38/718856238.db2.gz YIDRIARIBSAEFA-RTBURBONSA-N 0 0 425.866 5.119 20 0 IKADRN O=C1Nc2ccccc2[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(F)cc4)c3)C[C@@H]12 ZINC001164403943 718858605 /nfs/dbraw/zinc/85/86/05/718858605.db2.gz NXNWHKFBYUGEHN-RTBURBONSA-N 0 0 443.856 5.258 20 0 IKADRN O=C1Nc2ccccc2[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)C[C@H]12 ZINC001164404092 718858626 /nfs/dbraw/zinc/85/86/26/718858626.db2.gz OIJJPMPCBBFOLU-ROUUACIJSA-N 0 0 443.856 5.258 20 0 IKADRN O=C1Nc2ccccc2[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(F)c4)c3)C[C@H]12 ZINC001164407154 718858726 /nfs/dbraw/zinc/85/87/26/718858726.db2.gz WYVRPYOZWFWXBR-OALUTQOASA-N 0 0 443.856 5.258 20 0 IKADRN O=C1Nc2ccccc2[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccccc4F)c3)C[C@H]12 ZINC001164404074 718858867 /nfs/dbraw/zinc/85/88/67/718858867.db2.gz OIJJPMPCBBFOLU-MSOLQXFVSA-N 0 0 443.856 5.258 20 0 IKADRN c1csc(-c2csc3nc(CN4CCCCC4)nc(N4CC5(C4)CCCOC5)c23)c1 ZINC001164414321 718883045 /nfs/dbraw/zinc/88/30/45/718883045.db2.gz RKPGCFLEOXNEST-UHFFFAOYSA-N 0 0 440.638 5.023 20 0 IKADRN FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CC3(C2)CCCOC3)cnc1Cl ZINC001164413248 718883403 /nfs/dbraw/zinc/88/34/03/718883403.db2.gz FIESQVQLFLONFB-UHFFFAOYSA-N 0 0 432.820 5.583 20 0 IKADRN O=C1CC2(CCN(C(F)(F)c3ccc4c(Cl)ncnc4c3)CC2)c2cc(F)ccc21 ZINC001164425254 718936536 /nfs/dbraw/zinc/93/65/36/718936536.db2.gz VGDBUWZKAGCPFX-UHFFFAOYSA-N 0 0 431.845 5.092 20 0 IKADRN O=C1CC2(CCN(C(F)(F)c3ccc4ncnc(Cl)c4c3)CC2)c2cc(F)ccc21 ZINC001164425250 718937115 /nfs/dbraw/zinc/93/71/15/718937115.db2.gz UYICPMBKGLVKFA-UHFFFAOYSA-N 0 0 431.845 5.092 20 0 IKADRN F[C@@H]1CN(c2nc(CN3CCCCC3)nc3scc(-c4cccs4)c32)C[C@@H]2C[C@@H]21 ZINC001164432451 718964522 /nfs/dbraw/zinc/96/45/22/718964522.db2.gz XPMSYOBXPGMYDS-YQQAZPJKSA-N 0 0 428.602 5.200 20 0 IKADRN Cc1ncc2n1CCN(C(F)(F)c1ccccc1-c1nc(Cl)c3ccccc3n1)C2 ZINC001164448041 718991566 /nfs/dbraw/zinc/99/15/66/718991566.db2.gz GIAHQOFWDQVAFX-UHFFFAOYSA-N 0 0 425.870 5.020 20 0 IKADRN CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(F)(F)c4c[nH]c5nc(Cl)ccc45)C[C@H]3O2)n1 ZINC001164639504 719261357 /nfs/dbraw/zinc/26/13/57/719261357.db2.gz QHWCUGHRKDKFRR-DOPJRALCSA-N 0 0 447.917 5.031 20 0 IKADRN FC(F)(c1cnc(Cl)c(Cl)c1)N1C[C@@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164648582 719287076 /nfs/dbraw/zinc/28/70/76/719287076.db2.gz VNJGMGJEMMUICZ-VQISRLSMSA-N 0 0 432.323 5.234 20 0 IKADRN FC(F)(c1cc(Cl)nc(Cl)c1)N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164646073 719287534 /nfs/dbraw/zinc/28/75/34/719287534.db2.gz MXGXLIDEFWJMER-ZLKJLUDKSA-N 0 0 432.323 5.234 20 0 IKADRN FC(F)(c1cc(Cl)cnc1Cl)N1C[C@@H]2O[C@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164645044 719287667 /nfs/dbraw/zinc/28/76/67/719287667.db2.gz ARDZQQASHLRPJF-LKTVYLICSA-N 0 0 432.323 5.234 20 0 IKADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164650668 719287877 /nfs/dbraw/zinc/28/78/77/719287877.db2.gz ZRCURPMPFSUYRX-JBBXEZCESA-N 0 0 448.926 5.128 20 0 IKADRN FC(F)(c1ccc2ncc(Cl)nc2c1)N1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164650670 719288016 /nfs/dbraw/zinc/28/80/16/719288016.db2.gz ZRCURPMPFSUYRX-UYHISHBKSA-N 0 0 448.926 5.128 20 0 IKADRN FC(F)(c1ccc2ccnc(Cl)c2c1)N1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164645170 719288226 /nfs/dbraw/zinc/28/82/26/719288226.db2.gz DCIBGUVJYACECB-ZOCIIQOWSA-N 0 0 447.938 5.733 20 0 IKADRN FC(F)(c1ccc2ccnc(Cl)c2c1)N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164645167 719288295 /nfs/dbraw/zinc/28/82/95/719288295.db2.gz DCIBGUVJYACECB-GDIGMMSISA-N 0 0 447.938 5.733 20 0 IKADRN FC(F)(c1ccc2ccc(Cl)nc2c1)N1C[C@@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164645272 719288343 /nfs/dbraw/zinc/28/83/43/719288343.db2.gz FGUSWKLGILQYLG-KYNGSXCRSA-N 0 0 447.938 5.733 20 0 IKADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1C[C@@H]2O[C@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164645208 719288348 /nfs/dbraw/zinc/28/83/48/719288348.db2.gz DOBNLHNKGHCALP-IGNZVWTISA-N 0 0 448.926 5.128 20 0 IKADRN FC(F)(c1ccc2ncnc(Cl)c2c1)N1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164645211 719288362 /nfs/dbraw/zinc/28/83/62/719288362.db2.gz DOBNLHNKGHCALP-UYHISHBKSA-N 0 0 448.926 5.128 20 0 IKADRN FC(F)(c1ccc2nc(Cl)cnc2c1)N1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164647417 719288673 /nfs/dbraw/zinc/28/86/73/719288673.db2.gz RVUGGTUEKLWXDQ-UYHISHBKSA-N 0 0 448.926 5.128 20 0 IKADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1C[C@@H]2C[C@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164645324 719289199 /nfs/dbraw/zinc/28/91/99/719289199.db2.gz GEWXZTVREGRMBS-MORSLUCNSA-N 0 0 448.926 5.128 20 0 IKADRN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164645439 719289408 /nfs/dbraw/zinc/28/94/08/719289408.db2.gz ILJYMEXCXZCOMD-AEGPPILISA-N 0 0 436.915 5.062 20 0 IKADRN FC(F)(c1ccc2c(ccnc2Cl)c1)N1C[C@@H]2O[C@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164645722 719290478 /nfs/dbraw/zinc/29/04/78/719290478.db2.gz LGRZSRZROSTEMQ-JVPBZIDWSA-N 0 0 447.938 5.733 20 0 IKADRN FC(F)(c1cccc2c(Cl)ncnc21)N1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164645095 719290520 /nfs/dbraw/zinc/29/05/20/719290520.db2.gz BWNSZCGPYMVGSA-AFAVFJNCSA-N 0 0 448.926 5.128 20 0 IKADRN FC(F)(Oc1ccc(Cl)nc1Cl)N1C[C@@H]2O[C@@H](c3nc(C4CC4)cs3)C[C@H]2C1 ZINC001164650634 719290769 /nfs/dbraw/zinc/29/07/69/719290769.db2.gz ZHSQTVIPBBJVEJ-GDLCADMTSA-N 0 0 448.322 5.113 20 0 IKADRN FC(F)(c1cc(Cl)nc2c1CCC2)N1C[C@@H]2C[C@@H](c3nc(C4CC4)cs3)O[C@@H]2C1 ZINC001164646543 719291658 /nfs/dbraw/zinc/29/16/58/719291658.db2.gz OINCYHGDYPWFTG-UYHISHBKSA-N 0 0 437.943 5.069 20 0 IKADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Cl)cc(Cl)n1)CC2 ZINC001164663469 719345269 /nfs/dbraw/zinc/34/52/69/719345269.db2.gz HTTKSWVIVZGTPW-UHFFFAOYSA-N 0 0 442.394 5.083 20 0 IKADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3cc(C)ccc3n1)CC2 ZINC001164664074 719345751 /nfs/dbraw/zinc/34/57/51/719345751.db2.gz QGERGJKFSYSLJR-UHFFFAOYSA-N 0 0 437.591 5.238 20 0 IKADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc3cc(F)ccc3n1)CC2 ZINC001164664464 719348819 /nfs/dbraw/zinc/34/88/19/719348819.db2.gz USMQXIVDHJVIGD-UHFFFAOYSA-N 0 0 441.554 5.069 20 0 IKADRN CCOC[C@H]1CN(C(F)(F)c2ccc3ccc(Cl)nc3c2)Cc2nn(CC3CC3)cc21 ZINC001164663030 719363205 /nfs/dbraw/zinc/36/32/05/719363205.db2.gz HCOPWVRTJIHTGU-QGZVFWFLSA-N 0 0 446.929 5.180 20 0 IKADRN CCOC[C@H]1CN(C(F)(F)c2cc3ccccc3nc2Cl)Cc2nn(CC3CC3)cc21 ZINC001164664812 719363912 /nfs/dbraw/zinc/36/39/12/719363912.db2.gz SEWDFZDNSGPPLX-QGZVFWFLSA-N 0 0 446.929 5.180 20 0 IKADRN FC(F)(c1cnc(Cl)c(C2CCCCC2)c1)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001164676386 719568160 /nfs/dbraw/zinc/56/81/60/719568160.db2.gz DDLKWYAOSYQTFC-UHFFFAOYSA-N 0 0 447.917 5.123 20 0 IKADRN Cc1nc(CN2CCCC23CCN(C(F)(F)c2cnc(Cl)cc2Cl)CC3)cs1 ZINC001164691177 719804806 /nfs/dbraw/zinc/80/48/06/719804806.db2.gz FCIAPWHKXKWOAT-UHFFFAOYSA-N 0 0 447.382 5.333 20 0 IKADRN FC(F)(c1ccc(-c2ccnc(Cl)c2)cc1)N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164729869 720355611 /nfs/dbraw/zinc/35/56/11/720355611.db2.gz YQTJKHOOBVCMCF-VXKWHMMOSA-N 0 0 440.925 5.195 20 0 IKADRN FC(F)(c1ccc(Cl)nc1Cl)N1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001164820998 720393336 /nfs/dbraw/zinc/39/33/36/720393336.db2.gz DKVXLQYNFCSAED-GOSISDBHSA-N 0 0 448.291 5.675 20 0 IKADRN FC(F)(c1cnc(Cl)c(Cl)c1)N1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001164821299 720393553 /nfs/dbraw/zinc/39/35/53/720393553.db2.gz FAWWNBGGOVELHK-SFHVURJKSA-N 0 0 448.291 5.675 20 0 IKADRN Cc1cc(C(F)(F)N2CCC(F)(F)[C@]3(CCN(c4ccccc4)C3)C2)cc(Cl)n1 ZINC001164826122 720393671 /nfs/dbraw/zinc/39/36/71/720393671.db2.gz XDAKYEZHPDHQNK-IBGZPJMESA-N 0 0 427.873 5.330 20 0 IKADRN FC(F)(c1cnc(Cl)c(Cl)c1)N1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001164821297 720393887 /nfs/dbraw/zinc/39/38/87/720393887.db2.gz FAWWNBGGOVELHK-GOSISDBHSA-N 0 0 448.291 5.675 20 0 IKADRN Fc1ccc(Cl)nc1C(F)(F)N1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 ZINC001164821420 720394537 /nfs/dbraw/zinc/39/45/37/720394537.db2.gz GLBGISREZZQCAI-GOSISDBHSA-N 0 0 431.836 5.161 20 0 IKADRN FC(F)(c1ccnc(Cl)c1Cl)N1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001164821321 720394554 /nfs/dbraw/zinc/39/45/54/720394554.db2.gz FSAUSHYGYYJWQB-SFHVURJKSA-N 0 0 448.291 5.675 20 0 IKADRN Fc1cc(C(F)(F)N2CCC(F)(F)[C@@]3(CCN(c4ccccc4)C3)C2)cnc1Cl ZINC001164820433 720394558 /nfs/dbraw/zinc/39/45/58/720394558.db2.gz BLQXMRTXPXYYDL-GOSISDBHSA-N 0 0 431.836 5.161 20 0 IKADRN Cc1cc(Cl)ncc1C(F)(F)N1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 ZINC001164822914 720395207 /nfs/dbraw/zinc/39/52/07/720395207.db2.gz NAFSHMLQPSVKAQ-IBGZPJMESA-N 0 0 427.873 5.330 20 0 IKADRN CC[C@@H]1N(C(F)(F)c2ccc3nc(Cl)cc(Cl)c3c2)CCC[C@]12CCC(=O)N2 ZINC001164845197 720750187 /nfs/dbraw/zinc/75/01/87/720750187.db2.gz XAVSPWBRMZNNHL-LPHOPBHVSA-N 0 0 428.310 5.114 20 0 IKADRN CC[C@H]1N(C(F)(F)c2cnc(Cl)c(-c3cccc(F)c3)c2)CCC[C@]12CCC(=O)N2 ZINC001164848141 720756849 /nfs/dbraw/zinc/75/68/49/720756849.db2.gz OHZAVIRMZNDNQN-NQIIRXRSSA-N 0 0 437.893 5.114 20 0 IKADRN CC[C@H]1N(C(F)(F)c2cnc(Cl)c(-c3cccs3)c2)CCC[C@@]12CCC(=O)N2 ZINC001164844505 720759430 /nfs/dbraw/zinc/75/94/30/720759430.db2.gz CDFYMNAYWGJICT-VQIMIIECSA-N 0 0 425.932 5.036 20 0 IKADRN O=C1CC[C@H]2[C@@H](CCN2C(F)(F)c2ccc(Cl)nc2C(F)(F)F)N1c1ccccc1 ZINC001164846437 720768210 /nfs/dbraw/zinc/76/82/10/720768210.db2.gz IVIJLHMWNDUWES-LSDHHAIUSA-N 0 0 445.819 5.073 20 0 IKADRN COC[C@]12CCC[C@@H]1CN(C(F)(F)c1cnc(Cl)nc1-c1cn(C)c3ccccc13)C2 ZINC001164848416 720789168 /nfs/dbraw/zinc/78/91/68/720789168.db2.gz PJGXMTVBHAAHLN-IVZQSRNASA-N 0 0 446.929 5.087 20 0 IKADRN COC[C@]12CCCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3ccccc3F)c1)C2 ZINC001164847721 720828774 /nfs/dbraw/zinc/82/87/74/720828774.db2.gz KHXKHLLAQDRQIT-TZIWHRDSSA-N 0 0 440.893 5.108 20 0 IKADRN COC[C@@]12CCCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)c(-c3cccs3)c1)C2 ZINC001164847275 720830092 /nfs/dbraw/zinc/83/00/92/720830092.db2.gz IOSFWZZSGJVRFB-MJGOQNOKSA-N 0 0 428.932 5.030 20 0 IKADRN Cc1nc([C@@H]2COCCN2C(F)(F)c2cnc(Cl)c(-c3ccc(F)cc3)c2)cs1 ZINC001164754053 720865190 /nfs/dbraw/zinc/86/51/90/720865190.db2.gz ZUMJISKUXROPJD-SFHVURJKSA-N 0 0 439.890 5.429 20 0 IKADRN FC(F)(c1nc(Cl)c2ccccc2n1)N1CCC[C@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001164767373 721057854 /nfs/dbraw/zinc/05/78/54/721057854.db2.gz GXZAICBWVXIKOO-VGSWGCGISA-N 0 0 429.898 5.371 20 0 IKADRN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CCC[C@@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001164774128 721058784 /nfs/dbraw/zinc/05/87/84/721058784.db2.gz UWPUJSVUPKYAFY-HTAPYJJXSA-N 0 0 429.898 5.371 20 0 IKADRN C[C@H]1c2ncc(COCC3CC3)n2CCN1C(F)(F)c1cccc2ccnc(Cl)c21 ZINC001164873922 721242108 /nfs/dbraw/zinc/24/21/08/721242108.db2.gz RCNQVWOVCLAQGP-AWEZNQCLSA-N 0 0 432.902 5.137 20 0 IKADRN C[C@H]1c2ncc(COCC3CC3)n2CCN1C(F)(F)c1cnc(Cl)c(-c2ccco2)c1 ZINC001164872046 721244657 /nfs/dbraw/zinc/24/46/57/721244657.db2.gz CREYBKGBVVPZRQ-AWEZNQCLSA-N 0 0 448.901 5.244 20 0 IKADRN FC(F)(c1ccc2ccnc(Cl)c2c1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001164873159 721247083 /nfs/dbraw/zinc/24/70/83/721247083.db2.gz GLSLYBSRKBZUCS-TYPHKJRUSA-N 0 0 445.897 5.033 20 0 IKADRN FC(F)(c1cccc2c(Cl)nccc21)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001164875113 721249909 /nfs/dbraw/zinc/24/99/09/721249909.db2.gz MFNYFTHOAZYHAH-DQLDELGASA-N 0 0 445.897 5.033 20 0 IKADRN FC(F)(c1ccc2c(ccnc2Cl)c1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@H]21 ZINC001164873325 721251741 /nfs/dbraw/zinc/25/17/41/721251741.db2.gz HNJOXHKDAIJIDD-TYPHKJRUSA-N 0 0 445.897 5.033 20 0 IKADRN FC(F)(c1ccc2c(ccnc2Cl)c1)N1CC[C@@H]2O[C@@H](COc3cccnc3)CC[C@H]21 ZINC001164873321 721251868 /nfs/dbraw/zinc/25/18/68/721251868.db2.gz HNJOXHKDAIJIDD-NRSPTQNISA-N 0 0 445.897 5.033 20 0 IKADRN FC(F)(c1ccc2c(ccnc2Cl)c1)N1CC[C@@H]2O[C@H](COc3cccnc3)CC[C@@H]21 ZINC001164873316 721251982 /nfs/dbraw/zinc/25/19/82/721251982.db2.gz HNJOXHKDAIJIDD-JBACZVJFSA-N 0 0 445.897 5.033 20 0 IKADRN Cc1cccc(N2CCC[C@]3(C2)CN(C(F)(F)C2(c4ccnc(Cl)c4)CC2)CCO3)c1 ZINC001164774510 721305460 /nfs/dbraw/zinc/30/54/60/721305460.db2.gz DMZTZZCNSWUZBI-QFIPXVFZSA-N 0 0 447.957 5.039 20 0 IKADRN Fc1ccc(-c2ncnc3c2CCN(C(F)(F)c2ccc(Cl)c(Cl)n2)CC3)cc1 ZINC001164776153 721315584 /nfs/dbraw/zinc/31/55/84/721315584.db2.gz LVKIRRGOTYNCQY-UHFFFAOYSA-N 0 0 439.268 5.135 20 0 IKADRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)cc(Cl)c4c3)CC[C@H]21 ZINC001164887640 721463759 /nfs/dbraw/zinc/46/37/59/721463759.db2.gz DKWQNTPYIZFYQF-FZKQIMNGSA-N 0 0 442.337 5.170 20 0 IKADRN CC(C)C(=O)N1CC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(C4CCCCC4)c3)CC[C@H]21 ZINC001164893650 721467940 /nfs/dbraw/zinc/46/79/40/721467940.db2.gz STMJJFVALHUGMZ-YLJYHZDGSA-N 0 0 439.978 5.411 20 0 IKADRN CCOC[C@H]1CN(C(F)(F)c2cnc(Cl)c(-c3cccc(C)c3)c2)Cc2cnn(C)c21 ZINC001164793046 721478900 /nfs/dbraw/zinc/47/89/00/721478900.db2.gz QVJZIQGYVWUUAP-GOSISDBHSA-N 0 0 446.929 5.129 20 0 IKADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1C[C@@H]2CCC[C@@H](OCC3CC3)[C@H]2C1 ZINC001164899907 721499532 /nfs/dbraw/zinc/49/95/32/721499532.db2.gz MHGBDPLQVYFTJI-DZFGPLHGSA-N 0 0 433.930 5.373 20 0 IKADRN CC(C)NC(=O)C[C@@H]1CC2(CCN([C@@H](F)c3ccnc(Cl)c3)CC2)Oc2ccccc21 ZINC001164801367 721593297 /nfs/dbraw/zinc/59/32/97/721593297.db2.gz QMVXTBFBCAQZAD-WZONZLPQSA-N 0 0 445.966 5.019 20 0 IKADRN Cc1cncc(COC[C@@]23CCC[C@H]2CN(C(F)(F)c2cc(Cl)ncc2Cl)C3)c1 ZINC001164802076 721600516 /nfs/dbraw/zinc/60/05/16/721600516.db2.gz QROAHVSEEUXJSA-JXFKEZNVSA-N 0 0 442.337 5.460 20 0 IKADRN Cc1cncc(COC[C@]23CCC[C@H]2CN(C(F)(F)c2cc(Cl)ncc2Cl)C3)c1 ZINC001164802078 721600517 /nfs/dbraw/zinc/60/05/17/721600517.db2.gz QROAHVSEEUXJSA-OXJNMPFZSA-N 0 0 442.337 5.460 20 0 IKADRN Cc1cncc(COC[C@@]23CCC[C@@H]2CN(C(F)(F)c2cnc(Cl)c(Cl)c2)C3)c1 ZINC001164797852 721600535 /nfs/dbraw/zinc/60/05/35/721600535.db2.gz CMSQWDYXWJDYAA-UZLBHIALSA-N 0 0 442.337 5.460 20 0 IKADRN Cc1cncc(COC[C@]23CCC[C@@H]2CN(C(F)(F)c2cnc(Cl)cc2Cl)C3)c1 ZINC001164800351 721600664 /nfs/dbraw/zinc/60/06/64/721600664.db2.gz LGEVUADLGQMDIL-OXQOHEQNSA-N 0 0 442.337 5.460 20 0 IKADRN Cc1cncc(COC[C@]23CCC[C@@H]2CN(C(F)(F)c2cc(C4CC4)nnc2Cl)C3)c1 ZINC001164802838 721601523 /nfs/dbraw/zinc/60/15/23/721601523.db2.gz SOIHRKFIHYGJLW-XMSQKQJNSA-N 0 0 448.945 5.079 20 0 IKADRN Cc1cncc(COC[C@]23CCC[C@H]2CN(C(F)(F)C2(c4ccnc(Cl)c4)CC2)C3)c1 ZINC001164804243 721601862 /nfs/dbraw/zinc/60/18/62/721601862.db2.gz XPRUZGPQZOUVEK-RBBKRZOGSA-N 0 0 447.957 5.382 20 0 IKADRN Cc1cncc(COC[C@]23CCC[C@@H]2CN(C(F)(F)C2(c4ccnc(Cl)c4)CC2)C3)c1 ZINC001164804241 721601916 /nfs/dbraw/zinc/60/19/16/721601916.db2.gz XPRUZGPQZOUVEK-IFMALSPDSA-N 0 0 447.957 5.382 20 0 IKADRN Cc1cncc(COC[C@]23CCC[C@@H]2CN(C(F)(F)C2(c4ccc(Cl)nc4)CC2)C3)c1 ZINC001164799771 721601924 /nfs/dbraw/zinc/60/19/24/721601924.db2.gz KHHPQTQQPQUELF-IFMALSPDSA-N 0 0 447.957 5.382 20 0 IKADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)cc3ccc(F)cc31)C2 ZINC001164907990 721749662 /nfs/dbraw/zinc/74/96/62/721749662.db2.gz FSVHANQTBJXWIC-UHFFFAOYSA-N 0 0 436.918 5.210 20 0 IKADRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1cc(Cl)nc3ccc(F)cc31)C2 ZINC001164909396 721749870 /nfs/dbraw/zinc/74/98/70/721749870.db2.gz QWAPHWXARHHJAP-UHFFFAOYSA-N 0 0 436.918 5.210 20 0 IKADRN O=C1Nc2c(cccc2F)C12CCN(C(F)(F)c1cccc3c(Cl)nccc31)CC2 ZINC001165023087 721833101 /nfs/dbraw/zinc/83/31/01/721833101.db2.gz RVPPURQZQNDQFQ-UHFFFAOYSA-N 0 0 431.845 5.063 20 0 IKADRN Fc1ccc(OC2CCN(C(F)(F)c3cnc4c(Cl)ncnc4c3)CC2)c(Cl)c1 ZINC001165033072 721879955 /nfs/dbraw/zinc/87/99/55/721879955.db2.gz MOFCDZPGYRWEAO-UHFFFAOYSA-N 0 0 443.256 5.063 20 0 IKADRN Fc1ccc(OC2CCN(C(F)(F)c3nc(Cl)cc(Cl)n3)CC2)c(Cl)c1 ZINC001165033954 721879999 /nfs/dbraw/zinc/87/99/99/721879999.db2.gz ZUWRGCNDRADZEQ-UHFFFAOYSA-N 0 0 426.653 5.169 20 0 IKADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N(Cc1cccnc1)Cc1ccccn1 ZINC001165037579 721881292 /nfs/dbraw/zinc/88/12/92/721881292.db2.gz ORPWMVWFAVECEB-UHFFFAOYSA-N 0 0 446.288 5.478 20 0 IKADRN COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CC[C@H](c3ccncc3)C2)cc1 ZINC001165041139 721928461 /nfs/dbraw/zinc/92/84/61/721928461.db2.gz ZOJIDQMNRRCMDD-KRWDZBQOSA-N 0 0 443.881 5.122 20 0 IKADRN FC(F)(c1cc(-c2ccco2)nnc1Cl)N1CCC(c2nc3ccccc3s2)CC1 ZINC001165051459 721989409 /nfs/dbraw/zinc/98/94/09/721989409.db2.gz SYVSBGSEFCPLQL-UHFFFAOYSA-N 0 0 446.910 5.929 20 0 IKADRN Cc1cc(CN(C)C(F)(F)c2cc(-c3ccccc3C(F)(F)F)nnc2Cl)n(C)n1 ZINC001165050343 721990522 /nfs/dbraw/zinc/99/05/22/721990522.db2.gz DFGBCHLBWQASTE-UHFFFAOYSA-N 0 0 445.823 5.039 20 0 IKADRN Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(F)(F)c3cc(Cl)cnc3Cl)C[C@H]21 ZINC001164953157 722003400 /nfs/dbraw/zinc/00/34/00/722003400.db2.gz PNXPWCWTDIHQJN-HIFRSBDPSA-N 0 0 435.305 5.110 20 0 IKADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3cnc(Cl)c(Cl)c3)C[C@H]21 ZINC001164951171 722003406 /nfs/dbraw/zinc/00/34/06/722003406.db2.gz HBGRHBMFIYLXQW-ZFWWWQNUSA-N 0 0 435.305 5.110 20 0 IKADRN Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(F)(F)c3ccc(Cl)nc3Cl)C[C@H]21 ZINC001164950712 722003440 /nfs/dbraw/zinc/00/34/40/722003440.db2.gz FQKKLJBHMNPPIZ-KGLIPLIRSA-N 0 0 435.305 5.110 20 0 IKADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3cc(Cl)nc(Cl)c3)C[C@@H]21 ZINC001164951676 722003473 /nfs/dbraw/zinc/00/34/73/722003473.db2.gz IPUFJFFZDUHQFN-DZGCQCFKSA-N 0 0 435.305 5.110 20 0 IKADRN Cn1nc(-c2ccccc2)c2c1C[C@@H]1CN(C(F)(F)c3ccc(Cl)c(Cl)n3)C[C@H]21 ZINC001164954603 722004246 /nfs/dbraw/zinc/00/42/46/722004246.db2.gz ZHBJQHPTJMVEMH-KGLIPLIRSA-N 0 0 435.305 5.110 20 0 IKADRN CSc1cnc(Cl)c(C(F)(F)N2C[C@H]3c4c(-c5ccccc5)nn(C)c4C[C@@H]3C2)c1 ZINC001164952576 722005033 /nfs/dbraw/zinc/00/50/33/722005033.db2.gz NQJIKYRGIMLHIH-GDBMZVCRSA-N 0 0 446.954 5.178 20 0 IKADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C[C@H]21 ZINC001164953686 722005494 /nfs/dbraw/zinc/00/54/94/722005494.db2.gz SYUUZPFOCULYMT-WMZOPIPTSA-N 0 0 440.925 5.032 20 0 IKADRN Cn1nc(-c2ccccc2)c2c1C[C@H]1CN(C(F)(F)c3cnc(Cl)c(C4CC4)c3)C[C@H]21 ZINC001164951556 722005941 /nfs/dbraw/zinc/00/59/41/722005941.db2.gz HZORGQHZEHOWIY-LPHOPBHVSA-N 0 0 440.925 5.334 20 0 IKADRN O=C(NC1CCC1)[C@@H]1C[C@H]2CN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)C[C@H]2C1 ZINC001164973470 722084790 /nfs/dbraw/zinc/08/47/90/722084790.db2.gz NYBGHKHCNKHSMQ-REPLKXPHSA-N 0 0 445.941 5.078 20 0 IKADRN O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)CC2 ZINC001164985396 722092051 /nfs/dbraw/zinc/09/20/51/722092051.db2.gz YZBOQXOMQJJWPP-KRWDZBQOSA-N 0 0 437.962 5.070 20 0 IKADRN O=C1CC2(CCN(C(F)(F)c3ccc(F)c(Cl)n3)CC2)c2ccccc2N1CC1CC1 ZINC001164972224 722160626 /nfs/dbraw/zinc/16/06/26/722160626.db2.gz HCXYZLJEVBEIBT-UHFFFAOYSA-N 0 0 449.904 5.104 20 0 IKADRN Cc1cc(C(F)(F)N2CCC3(CC2)CC(=O)N(CC2CC2)c2ccccc23)cc(Cl)n1 ZINC001164977147 722160654 /nfs/dbraw/zinc/16/06/54/722160654.db2.gz XPSABFDFIAMLOK-UHFFFAOYSA-N 0 0 445.941 5.273 20 0 IKADRN CN1c2ccccc2[C@]2(CCN(C(F)(F)c3ccc(-c4ccnc(Cl)c4)cc3)C2)C1=O ZINC001164982081 722161891 /nfs/dbraw/zinc/16/18/91/722161891.db2.gz UHXLMCUNWNQLMC-HSZRJFAPSA-N 0 0 439.893 5.071 20 0 IKADRN CN1c2ccccc2[C@@]2(CCN(C(F)(F)c3cnc(Cl)c(-c4cccs4)c3)C2)C1=O ZINC001164976426 722163194 /nfs/dbraw/zinc/16/31/94/722163194.db2.gz BWWYZYRVDRCYRN-NRFANRHFSA-N 0 0 445.922 5.133 20 0 IKADRN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCC[C@@]2(C[C@H](OCC3CCCC3)CO2)C1 ZINC001164976477 722165010 /nfs/dbraw/zinc/16/50/10/722165010.db2.gz BYXFHFHVCMMITE-HRAATJIYSA-N 0 0 439.934 5.096 20 0 IKADRN FC(F)(N1CCC[C@]2(C[C@H](OCC3CCCC3)CO2)C1)C1(c2ccnc(Cl)c2)CC1 ZINC001164980242 722166022 /nfs/dbraw/zinc/16/60/22/722166022.db2.gz XJLOYIAGLJKHNK-FPOVZHCZSA-N 0 0 440.962 5.190 20 0 IKADRN FC(F)(c1cnc(Cl)nc1Cl)N1C[C@@H]2[C@@H](OCC3CC3)c3ccccc3[C@H]2C1 ZINC001164977433 722170245 /nfs/dbraw/zinc/17/02/45/722170245.db2.gz NTZWVWIDENVWCA-VYDXJSESSA-N 0 0 426.294 5.030 20 0 IKADRN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1C[C@@H]2[C@@H](OCC3CC3)c3ccccc3[C@H]2C1 ZINC001164980172 722171389 /nfs/dbraw/zinc/17/13/89/722171389.db2.gz WXJGBLBAMZFXFO-GUXCAODWSA-N 0 0 440.321 5.116 20 0 IKADRN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1C[C@@H]2c3ccccc3[C@H](OCC3CC3)[C@@H]2C1 ZINC001164980176 722171487 /nfs/dbraw/zinc/17/14/87/722171487.db2.gz WXJGBLBAMZFXFO-QINHECLXSA-N 0 0 440.321 5.116 20 0 IKADRN FC(F)(N1C[C@@H]2[C@@H](OCC3CC3)c3ccccc3[C@H]2C1)C1(c2ccc(Cl)nc2)CC1 ZINC001164978629 722172004 /nfs/dbraw/zinc/17/20/04/722172004.db2.gz RDRNTZTUPUUWHY-URVUXULASA-N 0 0 430.926 5.556 20 0 IKADRN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CCC2(CC(OCC3CC3)C2)CC1 ZINC001164974214 722172224 /nfs/dbraw/zinc/17/22/24/722172224.db2.gz DXUJRVAHRPSUAV-UHFFFAOYSA-N 0 0 442.337 5.657 20 0 IKADRN F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCC2(CC(OCC3CC3)C2)CC1 ZINC001164976152 722172656 /nfs/dbraw/zinc/17/26/56/722172656.db2.gz JZABQOOCPNXCQP-QFIPXVFZSA-N 0 0 431.939 5.100 20 0 IKADRN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCC2(CC(OCC3CC3)C2)CC1 ZINC001164981076 722172676 /nfs/dbraw/zinc/17/26/76/722172676.db2.gz ZZBRGJWLZTUCTE-UHFFFAOYSA-N 0 0 433.930 5.518 20 0 IKADRN FC(F)(c1cc(Cl)c(Cl)nc1Cl)N1CCC2(CC(OCC3CC3)C2)CC1 ZINC001164978838 722172704 /nfs/dbraw/zinc/17/27/04/722172704.db2.gz SKVSFKDZPKEMKP-UHFFFAOYSA-N 0 0 425.734 5.762 20 0 IKADRN Fc1cccc(CN2CC[C@@]23CCCN(C(F)(F)C2(c4ccc(Cl)nc4)CC2)C3)c1 ZINC001164994691 722213371 /nfs/dbraw/zinc/21/33/71/722213371.db2.gz CJHHCBHPRWIITI-OAQYLSRUSA-N 0 0 435.921 5.239 20 0 IKADRN Cc1cc(C(F)(F)N2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)cc(Cl)n1 ZINC001164999516 722220808 /nfs/dbraw/zinc/22/08/08/722220808.db2.gz SRBASWOOOHPKRH-NRFANRHFSA-N 0 0 445.941 5.168 20 0 IKADRN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 ZINC001165006667 722271718 /nfs/dbraw/zinc/27/17/18/722271718.db2.gz QATQCHOJNBKQJY-DLBZAZTESA-N 0 0 442.337 5.031 20 0 IKADRN FC(F)(c1cc(C2CC2)nnc1Cl)N1CC[C@@H](OCC2CC2)[C@H]1Cc1ccccc1 ZINC001165007719 722271869 /nfs/dbraw/zinc/27/18/69/722271869.db2.gz XNZVSWAWNBJZFR-NHCUHLMSSA-N 0 0 433.930 5.169 20 0 IKADRN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000040721349 556647091 /nfs/dbraw/zinc/64/70/91/556647091.db2.gz QAMAJLYYFPQKDY-FQEVSTJZSA-N 0 0 428.410 5.232 20 0 IKADRN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000040721505 556647483 /nfs/dbraw/zinc/64/74/83/556647483.db2.gz ZKNFDIPPEHQSPJ-DEOSSOPVSA-N 0 0 434.923 5.186 20 0 IKADRN O=C(Nc1cccc(C(=O)c2ccccc2)c1)c1ccn2c1CS[C@H]2c1cccnc1 ZINC000000538514 562918135 /nfs/dbraw/zinc/91/81/35/562918135.db2.gz PQQFNXGONTVQLM-VWLOTQADSA-N 0 0 425.513 5.160 20 0 in-vitro IKADRN CNC(=O)c1cc(Oc2cccc(NC(=S)Nc3cccc(C(F)(F)F)c3)c2)ccn1 ZINC000095573223 563185019 /nfs/dbraw/zinc/18/50/19/563185019.db2.gz CREPTQXQULMRRS-UHFFFAOYSA-N 0 0 446.454 5.061 20 0 IKADRN