smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCN1C(=O)[C@@H](c2ccccc2)CC12CCN(C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164429858 718955640 /nfs/dbraw/zinc/95/56/40/718955640.db2.gz QDEWDSLSWGKWHF-OAQYLSRUSA-N 0 1 442.003 4.467 20 0 IIADMN COC(=O)c1ccc2c(ccnc2N2CCC3(CCCN3Cc3csc(C)n3)CC2)c1 ZINC001164694488 719807402 /nfs/dbraw/zinc/80/74/02/719807402.db2.gz YWZWFEKZLDSGGS-UHFFFAOYSA-N 0 1 436.581 4.421 20 0 IIADMN Cc1nc(CN2CCCC23CCN(c2cc(N4CCC[C@@H](C)C4)ncn2)CC3)cs1 ZINC001164693930 719815283 /nfs/dbraw/zinc/81/52/83/719815283.db2.gz ZIQKVJGACAAQPE-GOSISDBHSA-N 0 1 426.634 4.113 20 0 IIADMN FC(F)(c1cnc(Cl)nc1Cl)N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164699781 719886700 /nfs/dbraw/zinc/88/67/00/719886700.db2.gz ILCYEEBAHSBNIB-UHFFFAOYSA-N 0 1 449.354 4.261 20 0 IIADMN FC(F)(c1cc(Cl)nc(Cl)n1)N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164694874 719886965 /nfs/dbraw/zinc/88/69/65/719886965.db2.gz GEERFDNTAHWDIK-UHFFFAOYSA-N 0 1 449.354 4.261 20 0 IIADMN Fc1cc2ncc(Cl)nc2cc1N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164707736 719899543 /nfs/dbraw/zinc/89/95/43/719899543.db2.gz WXHDUWSTYLOFHU-UHFFFAOYSA-N 0 1 432.952 4.355 20 0 IIADMN COc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)cc1 ZINC001164729621 720478852 /nfs/dbraw/zinc/47/88/52/720478852.db2.gz SAIAXVPHNQNLFP-UXHICEINSA-N 0 1 437.931 4.179 20 0 IIADMN O=C1CC[C@@H]2[C@H](CCN2c2ccc3c(n2)CCN(Cc2ccccc2)C3)N1c1ccccc1 ZINC001164844795 720762611 /nfs/dbraw/zinc/76/26/11/720762611.db2.gz CZAFQADCCDOMMB-FTJBHMTQSA-N 0 1 438.575 4.414 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(c1cc(-c3nc(-c4cccs4)no3)ccn1)[C@H]2C ZINC001164862482 721012871 /nfs/dbraw/zinc/01/28/71/721012871.db2.gz QOKWUQDDKDWVST-INIZCTEOSA-N 0 1 449.584 4.478 20 0 IIADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4cccc5ccnc(Cl)c54)C[C@@H]3C2)cn1 ZINC001164761645 721155277 /nfs/dbraw/zinc/15/52/77/721155277.db2.gz ABXQCZPRFOXSDD-ROUUACIJSA-N 0 1 431.918 4.125 20 0 IIADMN Clc1ccc2ccc(Cl)c(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2n1 ZINC001164880446 721181040 /nfs/dbraw/zinc/18/10/40/721181040.db2.gz WRWJLQXFKQCNCA-MSOLQXFVSA-N 0 1 429.351 4.416 20 0 IIADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccco5)c4)C[C@@H]3C2)cn1 ZINC001164760720 721249510 /nfs/dbraw/zinc/24/95/10/721249510.db2.gz GHZKTCHNSIYOFA-IRXDYDNUSA-N 0 1 447.917 4.232 20 0 IIADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3nccc4c(Cl)ccnc43)C2)C1 ZINC001164776587 721338399 /nfs/dbraw/zinc/33/83/99/721338399.db2.gz GQDVQZNAYXBDIU-QHCPKHFHSA-N 0 1 441.963 4.007 20 0 IIADMN O=C1C[C@@H]2[C@@H](CCN2c2ccc3c(n2)CCN(Cc2ccccc2)C3)N1c1ccsc1 ZINC001164884685 721355101 /nfs/dbraw/zinc/35/51/01/721355101.db2.gz WGJCKXQCOUIKOX-DHIUTWEWSA-N 0 1 430.577 4.086 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3ccc(F)cc32)[C@@H]2CCCO[C@H]12 ZINC001164808931 721541269 /nfs/dbraw/zinc/54/12/69/721541269.db2.gz SMPISOXJTQOLAA-LSWJPFSZSA-N 0 1 426.923 4.291 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c(F)ccc(F)c23)[C@@H]2CCCO[C@H]12 ZINC001164802632 721590941 /nfs/dbraw/zinc/59/09/41/721590941.db2.gz HKZUCHLLXXFUET-BOCKYXSRSA-N 0 1 444.913 4.430 20 0 IIADMN FC1(F)CCN(c2cc(Oc3ccccc3)ncn2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164905357 721691854 /nfs/dbraw/zinc/69/18/54/721691854.db2.gz IRNIENGUWPBDGY-QHCPKHFHSA-N 0 1 437.494 4.402 20 0 IIADMN C[C@@H]1CN(C(C)(C)c2ccnc(Cl)c2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165007486 721692317 /nfs/dbraw/zinc/69/23/17/721692317.db2.gz CMJXSRMMFFZXKU-ICPLQIHGSA-N 0 1 428.964 4.263 20 0 IIADMN FC1(F)CCN(c2nccc(Oc3ccccc3)n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164907116 721694418 /nfs/dbraw/zinc/69/44/18/721694418.db2.gz SFLKNROZKOAYMU-QHCPKHFHSA-N 0 1 437.494 4.402 20 0 IIADMN FC1(F)CCN(c2cc3nccc(Cl)c3cn2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164906244 721701889 /nfs/dbraw/zinc/70/18/89/721701889.db2.gz MPGYUOSLOWPPES-NRFANRHFSA-N 0 1 429.902 4.416 20 0 IIADMN FC1(F)CCN(c2cc(-c3cccs3)ncn2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164911169 721726956 /nfs/dbraw/zinc/72/69/56/721726956.db2.gz IKHYRDUMEWUOQN-OAQYLSRUSA-N 0 1 427.524 4.338 20 0 IIADMN FC1(F)CCN(c2ccc(-c3ccsc3)nn2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164911807 721732739 /nfs/dbraw/zinc/73/27/39/721732739.db2.gz KLFXEIUEZHIRGC-OAQYLSRUSA-N 0 1 427.524 4.338 20 0 IIADMN CCOC(=O)c1cc(N(C)C2CCN(Cc3c(OC)cccc3OC)CC2)ncc1Cl ZINC001165019283 721838636 /nfs/dbraw/zinc/83/86/36/721838636.db2.gz CBVPQAFHXODJHG-UHFFFAOYSA-N 0 1 447.963 4.030 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2ccc3c(Cl)ccnc3n2)CC1 ZINC001165022658 721842107 /nfs/dbraw/zinc/84/21/07/721842107.db2.gz RFUNCMUTPYUOHW-UHFFFAOYSA-N 0 1 426.948 4.401 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2nc(-c3ccncc3)nc(C)c2C)CC1 ZINC001165031216 721844260 /nfs/dbraw/zinc/84/42/60/721844260.db2.gz YJZJWIOGSVBTGY-UHFFFAOYSA-N 0 1 447.583 4.273 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncnc3[nH]c4cc(F)ccc4c32)CC1 ZINC001165031177 721845008 /nfs/dbraw/zinc/84/50/08/721845008.db2.gz WUYFBVYYGAJQPA-UHFFFAOYSA-N 0 1 449.530 4.368 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4ncnc5[nH]c6ccccc6c54)CC3)C2)cc1 ZINC001164938895 721927431 /nfs/dbraw/zinc/92/74/31/721927431.db2.gz ADQGOUVMVSBVGG-UHFFFAOYSA-N 0 1 427.552 4.291 20 0 IIADMN COc1ccc(-c2csc3ncnc(N4CCN(CCc5ccccn5)CC4)c23)cc1 ZINC001165054813 722017273 /nfs/dbraw/zinc/01/72/73/722017273.db2.gz DMKIVFGZRCJMAP-UHFFFAOYSA-N 0 1 431.565 4.127 20 0 IIADMN Clc1ccc(-c2ccc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)nn2)cc1 ZINC001164961164 722053413 /nfs/dbraw/zinc/05/34/13/722053413.db2.gz TVSLVKBILCDTNR-UHFFFAOYSA-N 0 1 449.986 4.311 20 0 IIADMN Clc1cc(C2CCCCC2)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164971133 722153974 /nfs/dbraw/zinc/15/39/74/722153974.db2.gz ATWXYHDTESNOJM-UNMCSNQZSA-N 0 1 442.007 4.300 20 0 IIADMN C[C@@H]1CCCN(C(=O)c2ccc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)nc2)C1 ZINC001164995938 722207749 /nfs/dbraw/zinc/20/77/49/722207749.db2.gz QEPMOLQBYVHOHS-FQRUVTKNSA-N 0 1 436.575 4.338 20 0 IIADMN C[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C(=O)[O-])c2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000780576638 939137156 /nfs/dbraw/zinc/13/71/56/939137156.db2.gz BTKJTQWZKAXGTR-MISYRCLQSA-N 0 1 449.473 4.213 20 0 IIADMN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001123372518 939822620 /nfs/dbraw/zinc/82/26/20/939822620.db2.gz OKMOLULGWVRNEG-UZUQRXQVSA-N 0 1 448.485 4.120 20 0 IIADMN COc1ccc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c(Br)c1OC ZINC001197284684 1126153749 /nfs/dbraw/zinc/15/37/49/1126153749.db2.gz KMZVWQSTSIXSST-RDTXWAMCSA-N 0 1 448.279 4.090 20 0 IIADMN C[C@](CO)(Cc1ccc(Br)cc1)NCc1nc(C(F)(F)F)n2c1CCCC2 ZINC001461672213 1126195782 /nfs/dbraw/zinc/19/57/82/1126195782.db2.gz MMUXYLWICHLQDN-GOSISDBHSA-N 0 1 446.311 4.084 20 0 IIADMN C[C@](CO)(Cc1ccc(Br)cc1)NCc1cccc(F)c1Br ZINC001461669920 1126195790 /nfs/dbraw/zinc/19/57/90/1126195790.db2.gz HWNNJTIOFDGHGY-QGZVFWFLSA-N 0 1 431.143 4.434 20 0 IIADMN C[C@](CO)(Cc1ccccc1F)NCc1cc(Br)ccc1Br ZINC001474225179 1126202766 /nfs/dbraw/zinc/20/27/66/1126202766.db2.gz VYWMOSAVEMJSTF-QGZVFWFLSA-N 0 1 431.143 4.434 20 0 IIADMN FC(F)(Oc1cccnc1Cl)N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164695317 719888782 /nfs/dbraw/zinc/88/87/82/719888782.db2.gz NDIUNSAKQUGJDH-UHFFFAOYSA-N 0 1 429.920 4.093 20 0 IIADMN COc1cc2c(cc1Cl)ncnc2N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164699291 719892844 /nfs/dbraw/zinc/89/28/44/719892844.db2.gz ZCKUWRDSBVLWSM-UHFFFAOYSA-N 0 1 444.988 4.225 20 0 IIADMN Cc1nc2sc3c(c2c(N2CCc4ncc(CN5CCCC5)n4CC2)n1)CCCCC3 ZINC001164736996 720583450 /nfs/dbraw/zinc/58/34/50/720583450.db2.gz XUNBFTOGEYUWMQ-UHFFFAOYSA-N 0 1 436.629 4.124 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(-c3ccccn3)nc3ccccc31)[C@H]2C ZINC001164857978 721001844 /nfs/dbraw/zinc/00/18/44/721001844.db2.gz FLZMXCSTUHRZPQ-SFHVURJKSA-N 0 1 427.556 4.310 20 0 IIADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4cc5ccccc5nc4Cl)C[C@H]3C2)cn1 ZINC001164766680 721166649 /nfs/dbraw/zinc/16/66/49/721166649.db2.gz IZUODXFCWLNUNF-ZWKOTPCHSA-N 0 1 431.918 4.125 20 0 IIADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4cc5ccccc5nc4Cl)C[C@@H]3C2)cn1 ZINC001164766674 721167092 /nfs/dbraw/zinc/16/70/92/721167092.db2.gz IZUODXFCWLNUNF-ROUUACIJSA-N 0 1 431.918 4.125 20 0 IIADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ccc4c(Cl)ccnc4n3)C2)C1 ZINC001164782311 721354279 /nfs/dbraw/zinc/35/42/79/721354279.db2.gz MYNRZKLDZJPAAN-HSZRJFAPSA-N 0 1 441.963 4.007 20 0 IIADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5cc(Cl)ccc54)C3)O2)CC1 ZINC001164887106 721401334 /nfs/dbraw/zinc/40/13/34/721401334.db2.gz LAGJXSQMOVMZRD-MBSDFSHPSA-N 0 1 449.426 4.307 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3ccc(F)cc32)[C@H]2CCCO[C@H]12 ZINC001164808933 721541925 /nfs/dbraw/zinc/54/19/25/721541925.db2.gz SMPISOXJTQOLAA-WPYKKVEZSA-N 0 1 426.923 4.291 20 0 IIADMN Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)C4(c5ccc(Cl)nc5)CC4)CCN3C2)c1 ZINC001164909188 721567115 /nfs/dbraw/zinc/56/71/15/721567115.db2.gz SPRNLYPONPKNLL-PKOBYXMFSA-N 0 1 437.893 4.336 20 0 IIADMN Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)C4(c5ccnc(Cl)c5)CC4)CCN3C2)c1 ZINC001164908030 721567173 /nfs/dbraw/zinc/56/71/73/721567173.db2.gz PGXFYVMDMLLISZ-MJGOQNOKSA-N 0 1 437.893 4.336 20 0 IIADMN FC(F)(c1ccnc(Cl)c1)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906311 721584169 /nfs/dbraw/zinc/58/41/69/721584169.db2.gz ZXLGWHOWMNPBKW-GOSISDBHSA-N 0 1 428.861 4.413 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2nccc3cc(F)c(Cl)cc32)[C@H]2CCCO[C@@H]12 ZINC001164811304 721587806 /nfs/dbraw/zinc/58/78/06/721587806.db2.gz XFPJRMQJIABWEB-BHDDXSALSA-N 0 1 426.923 4.291 20 0 IIADMN FC1(F)CCN(c2cnc3cccc(Cl)c3n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164904070 721693193 /nfs/dbraw/zinc/69/31/93/721693193.db2.gz CVDKPUABICLWDF-OAQYLSRUSA-N 0 1 429.902 4.416 20 0 IIADMN FC1(F)CCN(c2nc3ccccc3nc2Cl)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164907050 721699351 /nfs/dbraw/zinc/69/93/51/721699351.db2.gz QNBQANWTJGAEJT-OAQYLSRUSA-N 0 1 429.902 4.416 20 0 IIADMN FC1(F)CCN(c2ccc(-c3cccs3)nn2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164905568 721713245 /nfs/dbraw/zinc/71/32/45/721713245.db2.gz HPOAQSSOMIJTOS-NRFANRHFSA-N 0 1 427.524 4.338 20 0 IIADMN Fc1ccc(-c2cc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)ncn2)cc1 ZINC001164910556 721727371 /nfs/dbraw/zinc/72/73/71/721727371.db2.gz FXVVFJXWIGZIMU-QHCPKHFHSA-N 0 1 439.485 4.415 20 0 IIADMN Cc1ccc(-c2ccc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)nn2)o1 ZINC001164913784 721729663 /nfs/dbraw/zinc/72/96/63/721729663.db2.gz XRXWKIQZXCOQHJ-JOCHJYFZSA-N 0 1 425.483 4.178 20 0 IIADMN COC(=O)c1cc2ccccc2nc1N(C)C1CCN(Cc2c(OC)cccc2OC)CC1 ZINC001165022029 721842095 /nfs/dbraw/zinc/84/20/95/721842095.db2.gz NBVLMDLONYNMLE-UHFFFAOYSA-N 0 1 449.551 4.139 20 0 IIADMN Cc1sc2nc(C)nc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c2c1C ZINC001164964861 722055811 /nfs/dbraw/zinc/05/58/11/722055811.db2.gz YSILHFMSKBYOSI-UHFFFAOYSA-N 0 1 437.613 4.131 20 0 IIADMN Clc1cccc(-c2cc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)ncn2)c1 ZINC001164962603 722060178 /nfs/dbraw/zinc/06/01/78/722060178.db2.gz UTVZTURYCXKGFG-UHFFFAOYSA-N 0 1 449.986 4.311 20 0 IIADMN Clc1ccc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c(Cl)nc2c1 ZINC001164975003 722110154 /nfs/dbraw/zinc/11/01/54/722110154.db2.gz JFBDYWWBKRNOLN-JXFKEZNVSA-N 0 1 444.366 4.059 20 0 IIADMN COc1ccc2sc(C(=O)N[C@@]3(C(=O)[O-])CCC[N@@H+](Cc4ccccc4)C3)c(C)c2c1 ZINC001123372353 939822663 /nfs/dbraw/zinc/82/26/63/939822663.db2.gz MIBHOGSQDFLAIV-DEOSSOPVSA-N 0 1 438.549 4.068 20 0 IIADMN C[C@](CO)(Cc1ccc(Br)cc1)NCc1cnn(Cc2ccccc2)c1Cl ZINC001179277072 1126151507 /nfs/dbraw/zinc/15/15/07/1126151507.db2.gz ACRSKSXUGCWFCC-OAQYLSRUSA-N 0 1 448.792 4.431 20 0 IIADMN CC(C)(C)OC(=O)NC(C)(C)c1cc(CN[C@](C)(CO)Cc2ccc(Cl)cc2)on1 ZINC001183419204 1126153281 /nfs/dbraw/zinc/15/32/81/1126153281.db2.gz JCBIMXLEAVTFQM-QFIPXVFZSA-N 0 1 437.968 4.171 20 0 IIADMN COC(=O)c1cccc(-c2nc(CN[C@@](C)(CO)Cc3ccc(Cl)cc3)cs2)c1 ZINC001308117814 1126163593 /nfs/dbraw/zinc/16/35/93/1126163593.db2.gz MYUGOCACWBLGMG-JOCHJYFZSA-N 0 1 430.957 4.333 20 0 IIADMN C[C@@](CO)(Cc1ccc(Br)cc1)NCc1cc(Br)cnc1Cl ZINC001308479733 1126166778 /nfs/dbraw/zinc/16/67/78/1126166778.db2.gz LPVXQHJSHZAMDD-INIZCTEOSA-N 0 1 448.586 4.343 20 0 IIADMN C[C@@](CO)(Cc1ccc(Br)cc1)NCc1ncc(Br)cc1Cl ZINC001620624517 1126241898 /nfs/dbraw/zinc/24/18/98/1126241898.db2.gz ZASSGJBJIGUZOR-INIZCTEOSA-N 0 1 448.586 4.343 20 0 IIADMN C[C@@](CO)(Cc1ccc(Br)cc1)NCc1cc(F)ccc1Br ZINC001620624373 1126241693 /nfs/dbraw/zinc/24/16/93/1126241693.db2.gz VQTVWVMUAVEBFS-KRWDZBQOSA-N 0 1 431.143 4.434 20 0 IIADMN C[C@@](CO)(Cc1ccc(Br)cc1)NCc1cc(O)ccc1Br ZINC001621022205 1126244699 /nfs/dbraw/zinc/24/46/99/1126244699.db2.gz NFCALKQODHSJCL-KRWDZBQOSA-N 0 1 429.152 4.001 20 0 IIADMN O[C@@H](Cc1ccccc1)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000022925307 563025862 /nfs/dbraw/zinc/02/58/62/563025862.db2.gz ZZHKHRXDQLQSFW-MHZLTWQESA-N 0 1 430.592 4.014 20 0 IIADMN CCOC(=O)c1cc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)ncc1Cl ZINC001164691033 719804519 /nfs/dbraw/zinc/80/45/19/719804519.db2.gz DEFZETPXOQCQEQ-UHFFFAOYSA-N 0 1 434.993 4.312 20 0 IIADMN Cc1nc(CN2CCCC23CCN(c2nc(-c4ccccc4)nc(N(C)C)n2)CC3)cs1 ZINC001164694525 719810617 /nfs/dbraw/zinc/81/06/17/719810617.db2.gz ZNNUVMFTJVJXDZ-UHFFFAOYSA-N 0 1 449.628 4.005 20 0 IIADMN CCOC(=O)/C=C\c1ccc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)nc1 ZINC001164692642 719811281 /nfs/dbraw/zinc/81/12/81/719811281.db2.gz QGJYFIXENOPEAC-VURMDHGXSA-N 0 1 426.586 4.058 20 0 IIADMN CC(C)(c1ccnc(Cl)c1)N1CCC2(CCn3c(-c4ccc(C(N)=O)cc4)cnc32)CC1 ZINC001164698866 719830703 /nfs/dbraw/zinc/83/07/03/719830703.db2.gz VPUHGIMLWMCXCJ-UHFFFAOYSA-N 0 1 449.986 4.370 20 0 IIADMN Fc1cccc2c1nc(Cl)nc2N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164694578 719891515 /nfs/dbraw/zinc/89/15/15/719891515.db2.gz AFCVDWLUTSJTRO-UHFFFAOYSA-N 0 1 432.952 4.355 20 0 IIADMN Fc1cc2ncnc(Cl)c2c(N2CCC3(CC2)CN(Cc2cccs2)CCO3)c1 ZINC001164696275 719897109 /nfs/dbraw/zinc/89/71/09/719897109.db2.gz FJZKWJLTSCFFLJ-UHFFFAOYSA-N 0 1 432.952 4.355 20 0 IIADMN COc1cc2nc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)ccc2c(OC)c1 ZINC001164706269 719903316 /nfs/dbraw/zinc/90/33/16/719903316.db2.gz GOOAWOMJKUIRJZ-UHFFFAOYSA-N 0 1 439.581 4.185 20 0 IIADMN COc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)cc1 ZINC001164729625 720478876 /nfs/dbraw/zinc/47/88/76/720478876.db2.gz SAIAXVPHNQNLFP-WOJBJXKFSA-N 0 1 437.931 4.179 20 0 IIADMN Fc1ccc(-c2csc3ncnc(N4CCc5ncc(CN6CCCC6)n5CC4)c23)cc1 ZINC001164736487 720581820 /nfs/dbraw/zinc/58/18/20/720581820.db2.gz LNVJZCYQKANNCY-UHFFFAOYSA-N 0 1 448.571 4.352 20 0 IIADMN Fc1ccc(-c2nnc(N3CCc4ncc(CN5CCCC5)n4CC3)c3ccccc32)cc1 ZINC001164736134 720583235 /nfs/dbraw/zinc/58/32/35/720583235.db2.gz DMWNPFGFGJLRDS-UHFFFAOYSA-N 0 1 442.542 4.291 20 0 IIADMN CSc1nc(Cl)cc(C(F)(F)N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)n1 ZINC001164863938 720926451 /nfs/dbraw/zinc/92/64/51/720926451.db2.gz ZWVBKJOJURGVJK-GFCCVEGCSA-N 0 1 430.956 4.015 20 0 IIADMN CCOC(=O)c1cnc(Cl)c(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)c1Cl ZINC001164856183 720940610 /nfs/dbraw/zinc/94/06/10/720940610.db2.gz CEHNPTFTWROCAA-ZDUSSCGKSA-N 0 1 440.375 4.183 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)[C@H]2C ZINC001164863504 720974416 /nfs/dbraw/zinc/97/44/16/720974416.db2.gz VVPRCEXVEWLRMY-AWEZNQCLSA-N 0 1 434.922 4.446 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1nc3ccccc3nc1Cl)[C@@H]2C ZINC001164860610 720978574 /nfs/dbraw/zinc/97/85/74/720978574.db2.gz PEEXGUKODGBFMT-CQSZACIVSA-N 0 1 434.922 4.446 20 0 IIADMN COc1ccc(Oc2cc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)nc(C)n2)cc1 ZINC001164857331 721015063 /nfs/dbraw/zinc/01/50/63/721015063.db2.gz DCLXTVYSPGXMMT-QGZVFWFLSA-N 0 1 436.560 4.204 20 0 IIADMN FC(F)(c1ccc2c(ccnc2Cl)c1)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164879455 721167754 /nfs/dbraw/zinc/16/77/54/721167754.db2.gz SGNQNCCRFZUMHW-WOJBJXKFSA-N 0 1 444.913 4.308 20 0 IIADMN Clc1ccc2ccc(Cl)c(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2n1 ZINC001164880447 721180170 /nfs/dbraw/zinc/18/01/70/721180170.db2.gz WRWJLQXFKQCNCA-QZTJIDSGSA-N 0 1 429.351 4.416 20 0 IIADMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccco5)c4)C[C@@H]3C2)cn1 ZINC001164760721 721248556 /nfs/dbraw/zinc/24/85/56/721248556.db2.gz GHZKTCHNSIYOFA-SJORKVTESA-N 0 1 447.917 4.232 20 0 IIADMN Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4nc(Cl)c5ccccc5n4)CCN3C2)c1 ZINC001164899752 721514653 /nfs/dbraw/zinc/51/46/53/721514653.db2.gz MIGLCSNNVRISQJ-NVXWUHKLSA-N 0 1 448.876 4.309 20 0 IIADMN Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4ccc5c(Cl)ncnc5c4)CCN3C2)c1 ZINC001164900810 721518619 /nfs/dbraw/zinc/51/86/19/721518619.db2.gz UXVMQEMOBGIORU-SJLPKXTDSA-N 0 1 448.876 4.309 20 0 IIADMN Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc5cc(F)c(F)cc5nc4Cl)CCN3C2)c1 ZINC001164908144 721528429 /nfs/dbraw/zinc/52/84/29/721528429.db2.gz PCNBLLASWALOSG-HIFRSBDPSA-N 0 1 434.849 4.042 20 0 IIADMN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc5cc(F)c(F)cc5nc4Cl)CCN3C2)c1 ZINC001164908146 721528665 /nfs/dbraw/zinc/52/86/65/721528665.db2.gz PCNBLLASWALOSG-UKRRQHHQSA-N 0 1 434.849 4.042 20 0 IIADMN Cc1cc(Cl)nc(C(F)(F)N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164907408 721584852 /nfs/dbraw/zinc/58/48/52/721584852.db2.gz SHXOPGVWMKPBLE-GOSISDBHSA-N 0 1 443.876 4.116 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c(F)cccc23)[C@H]2CCCO[C@H]12 ZINC001164808337 721589617 /nfs/dbraw/zinc/58/96/17/721589617.db2.gz QSSNSKSGXPBQPB-NOXFTYBFSA-N 0 1 426.923 4.291 20 0 IIADMN C[C@@H]1CN(C(C)(C)c2ccnc(Cl)c2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165007484 721692533 /nfs/dbraw/zinc/69/25/33/721692533.db2.gz CMJXSRMMFFZXKU-BVZALQNUSA-N 0 1 428.964 4.263 20 0 IIADMN FC(F)(Oc1ccc(Cl)nc1)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164907985 721695579 /nfs/dbraw/zinc/69/55/79/721695579.db2.gz XTBMUABUVABGOA-GOSISDBHSA-N 0 1 444.860 4.292 20 0 IIADMN FC1(F)CCN(c2ncc3c(Cl)cccc3n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164907374 721707765 /nfs/dbraw/zinc/70/77/65/721707765.db2.gz RELLBJRDPIDPPA-OAQYLSRUSA-N 0 1 429.902 4.416 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2cc(OCc3ccccc3)cnn2)CC1 ZINC001165020248 721842207 /nfs/dbraw/zinc/84/22/07/721842207.db2.gz AZRHPBFMXQSYPT-UHFFFAOYSA-N 0 1 448.567 4.174 20 0 IIADMN COC(=O)c1ccc2ccnc(N3CCC4(CC3)CN(Cc3ccc(C)cc3)CCO4)c2c1 ZINC001164939308 721924959 /nfs/dbraw/zinc/92/49/59/721924959.db2.gz HRWGCDPFEWYQQU-UHFFFAOYSA-N 0 1 445.563 4.201 20 0 IIADMN COC(=O)c1cc2ccccc2nc1N1CCC2(CC1)CN(Cc1ccc(C)cc1)CCO2 ZINC001164940589 721929236 /nfs/dbraw/zinc/92/92/36/721929236.db2.gz UOJIBWGFVWGYGV-UHFFFAOYSA-N 0 1 445.563 4.201 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4ccc(-c5ccc(F)cc5)nn4)CC3)C2)cc1 ZINC001164938595 721931874 /nfs/dbraw/zinc/93/18/74/721931874.db2.gz ABEJDWQTZTWOAT-UHFFFAOYSA-N 0 1 432.543 4.463 20 0 IIADMN Cc1ccc(C)c(-c2ccc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)nn2)c1 ZINC001164962400 722060250 /nfs/dbraw/zinc/06/02/50/722060250.db2.gz RNSRYKBAYQPZIY-UHFFFAOYSA-N 0 1 443.595 4.274 20 0 IIADMN CC(C)(C)OC(=O)Nc1cc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)ncn1 ZINC001164995847 722195048 /nfs/dbraw/zinc/19/50/48/722195048.db2.gz YQQZNVMQXFHUFS-HSZRJFAPSA-N 0 1 427.524 4.208 20 0 IIADMN O=C([O-])[C@@]1(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001123372264 939822866 /nfs/dbraw/zinc/82/28/66/939822866.db2.gz KIRUMNKKCGKEDR-SXWKCWPCSA-N 0 1 447.362 4.333 20 0 IIADMN COc1cc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c(F)cc1Br ZINC001177822922 1126150587 /nfs/dbraw/zinc/15/05/87/1126150587.db2.gz PPXOXEGSUSNUBX-DOTOQJQBSA-N 0 1 436.243 4.221 20 0 IIADMN C[C@@](CO)(Cc1ccc(Br)cc1)NCc1nc(Cl)ccc1Br ZINC001308480090 1126166773 /nfs/dbraw/zinc/16/67/73/1126166773.db2.gz QPNZFSXQKLBVPE-INIZCTEOSA-N 0 1 448.586 4.343 20 0 IIADMN OC[C@@H](Cc1c[nH]c2ccccc12)NCc1cc(Cl)ccc1I ZINC001461203958 1126194064 /nfs/dbraw/zinc/19/40/64/1126194064.db2.gz OIXOBPOHLRJBAQ-OAHLLOKOSA-N 0 1 440.712 4.119 20 0 IIADMN C[C@@](CO)(Cc1ccccc1F)NCc1cc(Br)ccc1Br ZINC001474225178 1126202783 /nfs/dbraw/zinc/20/27/83/1126202783.db2.gz VYWMOSAVEMJSTF-KRWDZBQOSA-N 0 1 431.143 4.434 20 0 IIADMN C[C@@](CO)(Cc1ccc(Cl)cc1)NCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC001560975886 1126214583 /nfs/dbraw/zinc/21/45/83/1126214583.db2.gz LOFQUNSGVKJNGX-IBGZPJMESA-N 0 1 425.747 4.311 20 0 IIADMN Cc1nc(CN2CCCC23CCN(c2cc(N4CCC[C@H](C)C4)ncn2)CC3)cs1 ZINC001164693935 719815142 /nfs/dbraw/zinc/81/51/42/719815142.db2.gz ZIQKVJGACAAQPE-SFHVURJKSA-N 0 1 426.634 4.113 20 0 IIADMN COc1ccc2nc(Cl)nc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)c2c1 ZINC001164702824 719885838 /nfs/dbraw/zinc/88/58/38/719885838.db2.gz RECIJMPGWRCYBE-UHFFFAOYSA-N 0 1 444.988 4.225 20 0 IIADMN CSc1nc2ccsc2c(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1 ZINC001164694672 719891358 /nfs/dbraw/zinc/89/13/58/719891358.db2.gz BZKJINDWRQXTCB-UHFFFAOYSA-N 0 1 432.640 4.346 20 0 IIADMN Cc1cc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)nc(-c2ccsc2)n1 ZINC001164707902 719899723 /nfs/dbraw/zinc/89/97/23/719899723.db2.gz YRFDLWVCDDBMQP-UHFFFAOYSA-N 0 1 426.611 4.446 20 0 IIADMN Fc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)cc1 ZINC001164726897 720444805 /nfs/dbraw/zinc/44/48/05/720444805.db2.gz CGFFSTSJMBTVGM-RTBURBONSA-N 0 1 425.895 4.310 20 0 IIADMN Fc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164732046 720477336 /nfs/dbraw/zinc/47/73/36/720477336.db2.gz YIPIAFBWSHIOHR-ZWKOTPCHSA-N 0 1 425.895 4.310 20 0 IIADMN COc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1 ZINC001164729545 720479131 /nfs/dbraw/zinc/47/91/31/720479131.db2.gz RNQFBVZYBQCOCV-VQTJNVASSA-N 0 1 437.931 4.179 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)[C@@H]2C ZINC001164854867 720928253 /nfs/dbraw/zinc/92/82/53/720928253.db2.gz GKJOPHGROJNQTK-CQSZACIVSA-N 0 1 434.922 4.446 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)[C@H]2C ZINC001164862565 720974971 /nfs/dbraw/zinc/97/49/71/720974971.db2.gz TUSXSHAZQUGSIU-HNNXBMFYSA-N 0 1 433.984 4.308 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)[C@H]2C ZINC001164859899 720980450 /nfs/dbraw/zinc/98/04/50/720980450.db2.gz MXUWTHYFXBOHDG-AWEZNQCLSA-N 0 1 445.930 4.074 20 0 IIADMN Cc1cc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)nc(-c2ccc(Cl)nc2)n1 ZINC001164864896 721015272 /nfs/dbraw/zinc/01/52/72/721015272.db2.gz ZZOJPBNDABKSRC-INIZCTEOSA-N 0 1 425.968 4.118 20 0 IIADMN FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868853 721196138 /nfs/dbraw/zinc/19/61/38/721196138.db2.gz OGEYTZZPBZCJCY-MOPGFXCFSA-N 0 1 434.918 4.032 20 0 IIADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4ccc5c(ccnc5Cl)c4)C[C@@H]3C2)cn1 ZINC001164772324 721223074 /nfs/dbraw/zinc/22/30/74/721223074.db2.gz SCQXCLKUHARBPN-ROUUACIJSA-N 0 1 431.918 4.125 20 0 IIADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4ccc5c(ccnc5Cl)c4)C[C@H]3C2)cn1 ZINC001164772325 721223720 /nfs/dbraw/zinc/22/37/20/721223720.db2.gz SCQXCLKUHARBPN-ZWKOTPCHSA-N 0 1 431.918 4.125 20 0 IIADMN CC(C)(c1ccnc(Cl)c1)N1CC[C@]2(C1)CCC[C@H](CNC(=O)c1ccccc1)O2 ZINC001164878857 721260132 /nfs/dbraw/zinc/26/01/32/721260132.db2.gz VTMMUMUSWGULBI-YKSBVNFPSA-N 0 1 427.976 4.414 20 0 IIADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc(Cl)nc4ncccc34)C2)C1 ZINC001164779368 721347599 /nfs/dbraw/zinc/34/75/99/721347599.db2.gz SRBFUTOOMCBRAY-HSZRJFAPSA-N 0 1 441.963 4.007 20 0 IIADMN O=C1C[C@H]2[C@H](CCN2c2ccc3c(n2)CCN(Cc2ccccc2)C3)N1c1ccsc1 ZINC001164884691 721355044 /nfs/dbraw/zinc/35/50/44/721355044.db2.gz WGJCKXQCOUIKOX-GOTSBHOMSA-N 0 1 430.577 4.086 20 0 IIADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)ccc4-c4ccccc4)C3)O2)CC1 ZINC001164885103 721409544 /nfs/dbraw/zinc/40/95/44/721409544.db2.gz FMQLEXCWTQUMPY-OFVILXPXSA-N 0 1 441.019 4.167 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3cc(F)ccc32)[C@@H]2CCCO[C@@H]12 ZINC001164796520 721524890 /nfs/dbraw/zinc/52/48/90/721524890.db2.gz ZKIMPZFUSZKBEW-KCZVDYSFSA-N 0 1 426.923 4.291 20 0 IIADMN Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4ccc5ncnc(Cl)c5c4)CCN3C2)c1 ZINC001164907615 721527007 /nfs/dbraw/zinc/52/70/07/721527007.db2.gz NQJQJFBKFVQSSB-WMZOPIPTSA-N 0 1 448.876 4.309 20 0 IIADMN FC(F)(c1ccnc(Cl)c1)N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906312 721584317 /nfs/dbraw/zinc/58/43/17/721584317.db2.gz ZXLGWHOWMNPBKW-SFHVURJKSA-N 0 1 428.861 4.413 20 0 IIADMN Cc1cc(Cl)nc(C(F)(F)N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164907409 721584542 /nfs/dbraw/zinc/58/45/42/721584542.db2.gz SHXOPGVWMKPBLE-SFHVURJKSA-N 0 1 443.876 4.116 20 0 IIADMN FC(F)(Oc1cccc(Cl)n1)N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164908328 721696479 /nfs/dbraw/zinc/69/64/79/721696479.db2.gz YKCNMHCQAHPHDH-SFHVURJKSA-N 0 1 444.860 4.292 20 0 IIADMN FC1(F)CCN(c2cnc3c(Cl)cccc3n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164906132 721698192 /nfs/dbraw/zinc/69/81/92/721698192.db2.gz LTLPLKMALJOGPJ-NRFANRHFSA-N 0 1 429.902 4.416 20 0 IIADMN FC1(F)CCN(c2ncc3cc(Cl)ccc3n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164908918 721708144 /nfs/dbraw/zinc/70/81/44/721708144.db2.gz ZMGLYOJCYVTQKM-NRFANRHFSA-N 0 1 429.902 4.416 20 0 IIADMN FC1(F)CCN(c2nc3c(nc2Cl)CCCC3)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164913966 721737655 /nfs/dbraw/zinc/73/76/55/721737655.db2.gz ZSTXCDPLPHLDSA-NRFANRHFSA-N 0 1 433.934 4.142 20 0 IIADMN Cc1sc2ncnc(N3CCCC34CCN(CC(=O)N(C)C)CC4)c2c1-c1ccccc1 ZINC001165010554 721744995 /nfs/dbraw/zinc/74/49/95/721744995.db2.gz OMBZSAQTBNYYLT-UHFFFAOYSA-N 0 1 449.624 4.190 20 0 IIADMN FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165017025 721767278 /nfs/dbraw/zinc/76/72/78/721767278.db2.gz ZLXBXIMBUHWFEO-UHFFFAOYSA-N 0 1 433.871 4.475 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2nc(Cl)nc3sc(C)nc32)CC1 ZINC001165022011 721841517 /nfs/dbraw/zinc/84/15/17/721841517.db2.gz MGPBTUVQCNLKPT-UHFFFAOYSA-N 0 1 447.992 4.166 20 0 IIADMN COc1ccccc1-c1ccnc(N(C)C2CCN(Cc3c(OC)cccc3OC)CC2)n1 ZINC001165023007 721843920 /nfs/dbraw/zinc/84/39/20/721843920.db2.gz WAKTWDOJOCQDQS-UHFFFAOYSA-N 0 1 448.567 4.270 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2cc(SC)nc(SC)n2)CC1 ZINC001165031028 721845145 /nfs/dbraw/zinc/84/51/45/721845145.db2.gz OUGZMTGYUXBFPN-UHFFFAOYSA-N 0 1 434.631 4.038 20 0 IIADMN c1cc(CN2C[C@H]3C[C@@H](C2)N(c2ccc(-c4ccc(C5OCCCO5)cc4)cn2)C3)co1 ZINC001164930183 721901127 /nfs/dbraw/zinc/90/11/27/721901127.db2.gz IZGWHUSUJFRYPU-YKSBVNFPSA-N 0 1 431.536 4.488 20 0 IIADMN c1csc(CN2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3ccc4c(c3)OCCCO4)nn2)c1 ZINC001164938286 721914214 /nfs/dbraw/zinc/91/42/14/721914214.db2.gz ZTLWVYUQMSTYOY-KDURUIRLSA-N 0 1 434.565 4.220 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4cc(-c5nc(C6CC6)no5)ccn4)CC3)C2)cc1 ZINC001164939586 721932460 /nfs/dbraw/zinc/93/24/60/721932460.db2.gz MQUDNCGVTAZKSV-UHFFFAOYSA-N 0 1 445.567 4.189 20 0 IIADMN Clc1ccc(-c2nc3c(c(N4CCN(CCc5ccccn5)CC4)n2)CCC3)s1 ZINC001165055723 722018692 /nfs/dbraw/zinc/01/86/92/722018692.db2.gz TZZCZWODKYCAEJ-UHFFFAOYSA-N 0 1 425.989 4.107 20 0 IIADMN Cc1cccc2nc(Cl)nc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c12 ZINC001164963371 722058459 /nfs/dbraw/zinc/05/84/59/722058459.db2.gz XPJUWIKUCXFLRF-UHFFFAOYSA-N 0 1 437.975 4.106 20 0 IIADMN CC(C)(C)c1cc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2s1 ZINC001164975540 722107409 /nfs/dbraw/zinc/10/74/09/722107409.db2.gz CHZBJQCYCLTIDP-UYAOXDASSA-N 0 1 437.613 4.111 20 0 IIADMN CCOC(=O)c1cc2cccnc2nc1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164995734 722199595 /nfs/dbraw/zinc/19/95/95/722199595.db2.gz XMAUECWOZCPSBP-RUZDIDTESA-N 0 1 434.515 4.191 20 0 IIADMN C[C@@H](CC(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC001123268182 939818038 /nfs/dbraw/zinc/81/80/38/939818038.db2.gz PVOBXBSPRVEXRN-GAJHUEQPSA-N 0 1 448.485 4.435 20 0 IIADMN Cc1sc2[nH]c(CNC3(CO)Cc4ccccc4C3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000510225704 1126095449 /nfs/dbraw/zinc/09/54/49/1126095449.db2.gz YXEXCMNGNVFLAU-UHFFFAOYSA-N 0 1 431.561 4.300 20 0 IIADMN COc1ccccc1C[C@](C)(CO)NCc1cc(Br)ccc1Br ZINC001203282422 1126158018 /nfs/dbraw/zinc/15/80/18/1126158018.db2.gz HJAWSRPZIXRMMO-GOSISDBHSA-N 0 1 443.179 4.304 20 0 IIADMN COc1ccc(C[C@@](C)(CO)NCc2csc(COc3ccc(Cl)cc3)n2)cc1 ZINC001308114969 1126163221 /nfs/dbraw/zinc/16/32/21/1126163221.db2.gz SATICLMZMOYFQW-QFIPXVFZSA-N 0 1 432.973 4.467 20 0 IIADMN CC(C)(C)C(=O)Nc1ccnc(N2CCC3(CCCC3)CC2)c1CN1CC[C@H](CO)C1 ZINC001164418153 718894219 /nfs/dbraw/zinc/89/42/19/718894219.db2.gz BOIRJKGMSREPBZ-IBGZPJMESA-N 0 1 428.621 4.041 20 0 IIADMN Cc1sc2nc(-c3ccccn3)nc(N3C[C@@H]4OCCN(C)[C@H]4C3)c2c1-c1ccccc1 ZINC001164670302 719445101 /nfs/dbraw/zinc/44/51/01/719445101.db2.gz NTWQOVBCFHOTGZ-PMACEKPBSA-N 0 1 443.576 4.248 20 0 IIADMN Fc1cccc2nc(Cl)nc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)c12 ZINC001164694859 719890791 /nfs/dbraw/zinc/89/07/91/719890791.db2.gz FPZQKEGLSKVOSH-UHFFFAOYSA-N 0 1 432.952 4.355 20 0 IIADMN F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164730281 720457564 /nfs/dbraw/zinc/45/75/64/720457564.db2.gz JEJPNSSYUMXGSJ-GIWBLDEGSA-N 0 1 439.922 4.173 20 0 IIADMN COc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c1 ZINC001164729547 720479366 /nfs/dbraw/zinc/47/93/66/720479366.db2.gz RNQFBVZYBQCOCV-WOJBJXKFSA-N 0 1 437.931 4.179 20 0 IIADMN FC(F)(c1ccc2ccnc(Cl)c2c1)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164728106 720561170 /nfs/dbraw/zinc/56/11/70/720561170.db2.gz JNEPXCKHXUDNTJ-UHFFFAOYSA-N 0 1 431.918 4.288 20 0 IIADMN FC(F)(c1cccc2c(Cl)nccc21)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164736326 720574285 /nfs/dbraw/zinc/57/42/85/720574285.db2.gz IPWOKRZHOVYOKZ-UHFFFAOYSA-N 0 1 431.918 4.288 20 0 IIADMN Cc1ccc(-c2nc3c(ncnc3N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)o2)cc1 ZINC001164860407 721005295 /nfs/dbraw/zinc/00/52/95/721005295.db2.gz NZRPWGLCYANJIK-KRWDZBQOSA-N 0 1 431.544 4.211 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(c1cncc(OCc3cccc(Cl)c3)n1)[C@@H]2C ZINC001164857299 721018899 /nfs/dbraw/zinc/01/88/99/721018899.db2.gz CLUMZGNHSUZNDU-QGZVFWFLSA-N 0 1 440.979 4.327 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)Oc1ccc(Cl)nc1Cl)[C@H]2C ZINC001164859510 721019505 /nfs/dbraw/zinc/01/95/05/721019505.db2.gz IUZPXHVRNGGFQG-LBPRGKRZSA-N 0 1 434.318 4.431 20 0 IIADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4ccc5ccc(Cl)nc5c4)C[C@H]3C2)cn1 ZINC001164772229 721112847 /nfs/dbraw/zinc/11/28/47/721112847.db2.gz UNAVBKOTMZRMGA-ZWKOTPCHSA-N 0 1 431.918 4.125 20 0 IIADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(-c5ccccc5)cc(Cl)n4)C3)O2)CC1 ZINC001164889964 721410329 /nfs/dbraw/zinc/41/03/29/721410329.db2.gz RXPMQVFQAIMMHD-DHLKQENFSA-N 0 1 441.019 4.167 20 0 IIADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc5c(Cl)ccc(Cl)c5n4)C3)O2)CC1 ZINC001164897895 721446208 /nfs/dbraw/zinc/44/62/08/721446208.db2.gz VBTFDYUNFDFJAL-UZUQRXQVSA-N 0 1 449.426 4.307 20 0 IIADMN COc1cccc2c(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@H]43)cc(Cl)nc12 ZINC001164794550 721525727 /nfs/dbraw/zinc/52/57/27/721525727.db2.gz FSNQFHHNQRSFHK-WWEVIYMKSA-N 0 1 438.959 4.160 20 0 IIADMN Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4ccc5ncnc(Cl)c5c4)CCN3C2)c1 ZINC001164907609 721526835 /nfs/dbraw/zinc/52/68/35/721526835.db2.gz NQJQJFBKFVQSSB-AEFFLSMTSA-N 0 1 448.876 4.309 20 0 IIADMN Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4ccc5ncnc(Cl)c5c4)CCN3C2)c1 ZINC001164907611 721527256 /nfs/dbraw/zinc/52/72/56/721527256.db2.gz NQJQJFBKFVQSSB-FUHWJXTLSA-N 0 1 448.876 4.309 20 0 IIADMN Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc5cc(F)c(F)cc5nc4Cl)CCN3C2)c1 ZINC001164908142 721528898 /nfs/dbraw/zinc/52/88/98/721528898.db2.gz PCNBLLASWALOSG-DZGCQCFKSA-N 0 1 434.849 4.042 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc3nc(Cl)cnc3cc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164807160 721548349 /nfs/dbraw/zinc/54/83/49/721548349.db2.gz PQQJIFPSVQMGLZ-UZKOGDIHSA-N 0 1 444.366 4.200 20 0 IIADMN COc1ccccc1-c1ccc(N(C)C2CCN(Cc3c(OC)cccc3OC)CC2)nn1 ZINC001165021271 721843622 /nfs/dbraw/zinc/84/36/22/721843622.db2.gz KHSYKJKVOWRNBR-UHFFFAOYSA-N 0 1 448.567 4.270 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(C(F)(F)c4cc(Cl)nc(C)n4)CC3)C2)cc1 ZINC001164940424 721922908 /nfs/dbraw/zinc/92/29/08/721922908.db2.gz QCWKAQRBJMPTBA-UHFFFAOYSA-N 0 1 436.934 4.163 20 0 IIADMN CC[C@H](C)Oc1ccccc1/C=C\C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001123372737 939822488 /nfs/dbraw/zinc/82/24/88/939822488.db2.gz SKYYIAWQWPATDG-GFFQDIKQSA-N 0 1 436.552 4.113 20 0 IIADMN O=C([O-])[C@@]1(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001123372263 939822510 /nfs/dbraw/zinc/82/25/10/939822510.db2.gz KIRUMNKKCGKEDR-MIZPHKNDSA-N 0 1 447.362 4.333 20 0 IIADMN CC[C@H](C)Oc1ccccc1/C=C/C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001123372738 939822654 /nfs/dbraw/zinc/82/26/54/939822654.db2.gz SKYYIAWQWPATDG-PYMSTZOBSA-N 0 1 436.552 4.113 20 0 IIADMN CC(C)(C)OC(=O)Nc1ncc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)s1 ZINC000800238815 1126110622 /nfs/dbraw/zinc/11/06/22/1126110622.db2.gz JQNDKWYKCHQHSD-CABCVRRESA-N 0 1 431.480 4.114 20 0 IIADMN COc1ccccc1C[C@](C)(CO)NCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC001197304418 1126154351 /nfs/dbraw/zinc/15/43/51/1126154351.db2.gz LZWDCGACGXSTFP-XMMPIXPASA-N 0 1 435.549 4.156 20 0 IIADMN Cc1ccc(-c2nc(CN[C@@]3(CO)CCc4cc(Br)ccc4C3)cs2)o1 ZINC001307929072 1126162006 /nfs/dbraw/zinc/16/20/06/1126162006.db2.gz KZLRDBZZWUJCFG-FQEVSTJZSA-N 0 1 433.371 4.484 20 0 IIADMN COc1ccc(OCc2nc(CN[C@](C)(CO)Cc3ccc(Cl)cc3)cs2)cc1 ZINC001308494402 1126167337 /nfs/dbraw/zinc/16/73/37/1126167337.db2.gz JBNXGPURFGFXEI-QFIPXVFZSA-N 0 1 432.973 4.467 20 0 IIADMN C[C@](CO)(Cc1ccc(Cl)cc1)NCc1cc2c(cc1Br)OCCCO2 ZINC001560182094 1126208434 /nfs/dbraw/zinc/20/84/34/1126208434.db2.gz ABYSMFBLDPTCFL-HXUWFJFHSA-N 0 1 440.765 4.347 20 0 IIADMN Cc1nc(CN2CCCC23CCN(c2cc(-c4nc(C5CC5)no4)ccn2)CC3)cs1 ZINC001164693496 719815674 /nfs/dbraw/zinc/81/56/74/719815674.db2.gz VOOAQZGQEDSCAI-UHFFFAOYSA-N 0 1 436.585 4.409 20 0 IIADMN c1csc(CN2CCOC3(CCN(c4nccnc4C4SCCCS4)CC3)C2)c1 ZINC001164696107 719889909 /nfs/dbraw/zinc/88/99/09/719889909.db2.gz XIQLCXFJEXRYEN-UHFFFAOYSA-N 0 1 448.683 4.278 20 0 IIADMN CSc1ccc2ncnc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)c2c1 ZINC001164707514 719906183 /nfs/dbraw/zinc/90/61/83/719906183.db2.gz SJJXYOIAUJGSNB-UHFFFAOYSA-N 0 1 426.611 4.285 20 0 IIADMN FC(F)(c1ccc2ccc(Cl)nc2c1)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164728108 720562059 /nfs/dbraw/zinc/56/20/59/720562059.db2.gz JOAJWKVKZAEEHD-UHFFFAOYSA-N 0 1 431.918 4.288 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1ccc3c(Cl)ncnc3c1)[C@@H]2C ZINC001164858678 720935137 /nfs/dbraw/zinc/93/51/37/720935137.db2.gz JVVPCZSKFZLRIG-CQSZACIVSA-N 0 1 434.922 4.446 20 0 IIADMN Cn1cc(CN2CC[C@H]3CN(c4c(Cl)nc(Cl)c(Cl)c4Cl)C[C@H]3C2)cn1 ZINC001164771004 721100149 /nfs/dbraw/zinc/10/01/49/721100149.db2.gz QVPINARJVROTDN-NWDGAFQWSA-N 0 1 435.186 4.387 20 0 IIADMN FC(F)(c1cc2ccccc2nc1Cl)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866650 721114081 /nfs/dbraw/zinc/11/40/81/721114081.db2.gz UNHVTTFRYXEDQE-MOPGFXCFSA-N 0 1 444.913 4.308 20 0 IIADMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4ccc5ccc(Cl)nc5c4)C[C@@H]3C2)cn1 ZINC001164772226 721114185 /nfs/dbraw/zinc/11/41/85/721114185.db2.gz UNAVBKOTMZRMGA-MSOLQXFVSA-N 0 1 431.918 4.125 20 0 IIADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4ccc5ccnc(Cl)c5c4)C[C@H]3C2)cn1 ZINC001164768137 721114515 /nfs/dbraw/zinc/11/45/15/721114515.db2.gz NJLUAEQGXWOLKD-ZWKOTPCHSA-N 0 1 431.918 4.125 20 0 IIADMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4ccc5c(ccnc5Cl)c4)C[C@H]3C2)cn1 ZINC001164772323 721223062 /nfs/dbraw/zinc/22/30/62/721223062.db2.gz SCQXCLKUHARBPN-QZTJIDSGSA-N 0 1 431.918 4.125 20 0 IIADMN CC(C)(c1ccnc(Cl)c1)N1CC[C@@]2(C1)CCC[C@H](CNC(=O)c1ccccc1)O2 ZINC001164878850 721260007 /nfs/dbraw/zinc/26/00/07/721260007.db2.gz VTMMUMUSWGULBI-HYBUGGRVSA-N 0 1 427.976 4.414 20 0 IIADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3nnc(Cl)c4ccccc43)C2)C1 ZINC001164776992 721338383 /nfs/dbraw/zinc/33/83/83/721338383.db2.gz JKPGZPSRHQYRQK-QHCPKHFHSA-N 0 1 441.963 4.007 20 0 IIADMN Cc1csc2nc(C)nc(N3CCC[C@@]4(C3)COCCN(Cc3c(C)noc3C)C4)c12 ZINC001164783031 721369918 /nfs/dbraw/zinc/36/99/18/721369918.db2.gz OXKHFTWWWDEIIQ-HSZRJFAPSA-N 0 1 441.601 4.032 20 0 IIADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)ccc4-c4ccccc4)C3)O2)CC1 ZINC001164885105 721409824 /nfs/dbraw/zinc/40/98/24/721409824.db2.gz FMQLEXCWTQUMPY-PXDATVDWSA-N 0 1 441.019 4.167 20 0 IIADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(-c5ccccc5)cc(Cl)n4)C3)O2)CC1 ZINC001164889975 721410390 /nfs/dbraw/zinc/41/03/90/721410390.db2.gz RXPMQVFQAIMMHD-RDGATRHJSA-N 0 1 441.019 4.167 20 0 IIADMN COc1ccc2c(cc(Cl)nc2N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164805840 721567491 /nfs/dbraw/zinc/56/74/91/721567491.db2.gz PCGKNDJLVYRFKR-QNWVGRARSA-N 0 1 438.959 4.160 20 0 IIADMN FC(F)(c1ccc(Cl)nc1)N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906150 721582896 /nfs/dbraw/zinc/58/28/96/721582896.db2.gz ZDDKLSTWJIYUOK-SFHVURJKSA-N 0 1 428.861 4.413 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c(F)ccc(F)c23)[C@H]2CCCO[C@@H]12 ZINC001164802634 721590672 /nfs/dbraw/zinc/59/06/72/721590672.db2.gz HKZUCHLLXXFUET-GEQKSPFYSA-N 0 1 444.913 4.430 20 0 IIADMN COc1cc2cnc(Cl)cc2cc1N1C[C@H](N(C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164799989 721592172 /nfs/dbraw/zinc/59/21/72/721592172.db2.gz BBKZOMKWCABDPK-NHCICSSKSA-N 0 1 438.959 4.160 20 0 IIADMN Cc1nc(C2CC2)nc(Cl)c1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164913143 721727915 /nfs/dbraw/zinc/72/79/15/721727915.db2.gz UJILRRKVRDLPKU-OAQYLSRUSA-N 0 1 433.934 4.449 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2nc(Cl)nc3[nH]cc(C)c32)CC1 ZINC001165019242 721839905 /nfs/dbraw/zinc/83/99/05/721839905.db2.gz AXPOMDWFWMWHKD-UHFFFAOYSA-N 0 1 429.952 4.038 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2cc3ccc(Cl)nc3cn2)CC1 ZINC001165020353 721841567 /nfs/dbraw/zinc/84/15/67/721841567.db2.gz CRXXPNJXSOLIKG-UHFFFAOYSA-N 0 1 426.948 4.401 20 0 IIADMN COC(=O)c1cc2ccccc2c(N(C)C2CCN(Cc3c(OC)cccc3OC)CC2)n1 ZINC001165023230 721843789 /nfs/dbraw/zinc/84/37/89/721843789.db2.gz YXBAUNIBLXKDOV-UHFFFAOYSA-N 0 1 449.551 4.139 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4cc(C)nc(-c5ccccn5)n4)CC3)C2)cc1 ZINC001164938677 721930263 /nfs/dbraw/zinc/93/02/63/721930263.db2.gz DKBCCQZSBRQSGZ-UHFFFAOYSA-N 0 1 429.568 4.027 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4cc(-c5nc(C(C)C)no5)ccn4)CC3)C2)cc1 ZINC001164940237 721932470 /nfs/dbraw/zinc/93/24/70/721932470.db2.gz SYEDQYOELZDOGT-UHFFFAOYSA-N 0 1 447.583 4.435 20 0 IIADMN CC(C)c1cc2c(ncnc2N2CCC3(CC2)COCCN(Cc2ccncc2)C3)s1 ZINC001164958717 722051944 /nfs/dbraw/zinc/05/19/44/722051944.db2.gz FSLBHEPFOHQRQK-UHFFFAOYSA-N 0 1 437.613 4.329 20 0 IIADMN Cc1cccc2c(Cl)nnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c12 ZINC001164963256 722055629 /nfs/dbraw/zinc/05/56/29/722055629.db2.gz KAQTZZJVWDILNS-UHFFFAOYSA-N 0 1 437.975 4.106 20 0 IIADMN Clc1ccc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c(Cl)nc2c1 ZINC001164975005 722110356 /nfs/dbraw/zinc/11/03/56/722110356.db2.gz JFBDYWWBKRNOLN-OXQOHEQNSA-N 0 1 444.366 4.059 20 0 IIADMN CCOC(=O)c1cc2cccnc2nc1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164995735 722199891 /nfs/dbraw/zinc/19/98/91/722199891.db2.gz XMAUECWOZCPSBP-VWLOTQADSA-N 0 1 434.515 4.191 20 0 IIADMN COc1cccc(-c2nc(CN[C@]3(CO)CCc4cc(Br)ccc4C3)co2)c1 ZINC001196104533 1126153494 /nfs/dbraw/zinc/15/34/94/1126153494.db2.gz NQFLHPHPCFHTON-JOCHJYFZSA-N 0 1 443.341 4.122 20 0 IIADMN COc1ccc(C[C@](C)(CO)NCc2csc(COc3ccc(Cl)cc3)n2)cc1 ZINC001308114968 1126163249 /nfs/dbraw/zinc/16/32/49/1126163249.db2.gz SATICLMZMOYFQW-JOCHJYFZSA-N 0 1 432.973 4.467 20 0 IIADMN OC[C@]1(NCc2c(F)cccc2Br)CCc2cc(Br)ccc2C1 ZINC001473641984 1126198365 /nfs/dbraw/zinc/19/83/65/1126198365.db2.gz YSTQNYDNFYECAS-SFHVURJKSA-N 0 1 443.154 4.360 20 0 IIADMN COc1ccc(C[C@](C)(CO)NCc2nc(-c3c(F)cccc3F)cs2)cc1OC ZINC001473839556 1126199817 /nfs/dbraw/zinc/19/98/17/1126199817.db2.gz DKISFUFDXLFSAY-JOCHJYFZSA-N 0 1 434.508 4.189 20 0 IIADMN COc1ccccc1C[C@](C)(CO)NCc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC001620536881 1126240869 /nfs/dbraw/zinc/24/08/69/1126240869.db2.gz GRAPZXFQTUQADW-XMMPIXPASA-N 0 1 435.549 4.156 20 0 IIADMN COc1ccc(C[C@@](C)(CO)NCc2coc(-c3ccc(Br)cc3)n2)cc1 ZINC001620623631 1126241154 /nfs/dbraw/zinc/24/11/54/1126241154.db2.gz CWYKYDOAZMNNRF-NRFANRHFSA-N 0 1 431.330 4.196 20 0 IIADMN CCOC(=O)c1cnc(Cl)cc1N1CCC2(CCCN2Cc2csc(C)n2)CC1 ZINC001164691503 719803332 /nfs/dbraw/zinc/80/33/32/719803332.db2.gz ILJZMDMULDPFMA-UHFFFAOYSA-N 0 1 434.993 4.312 20 0 IIADMN CCOC(=O)c1c(C)cc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)nc1C ZINC001164692493 719810665 /nfs/dbraw/zinc/81/06/65/719810665.db2.gz IEZOCSUAHVBMLO-UHFFFAOYSA-N 0 1 428.602 4.275 20 0 IIADMN COc1ccc(C(F)(F)N2CCC3(CC2)CN(Cc2cccs2)CCO3)nc1Cl ZINC001164696722 719894646 /nfs/dbraw/zinc/89/46/46/719894646.db2.gz HWYLLRDNJFYJCD-UHFFFAOYSA-N 0 1 443.947 4.221 20 0 IIADMN Fc1ccc2c(c1)[nH]c1ncnc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)c21 ZINC001164707918 719910409 /nfs/dbraw/zinc/91/04/09/719910409.db2.gz ZEJGPBUHNOTHRC-UHFFFAOYSA-N 0 1 437.544 4.183 20 0 IIADMN Cc1cccc(Oc2nc(Cl)ncc2N2CCc3ncc(CN4CCCC4)n3CC2)c1 ZINC001164742271 720593550 /nfs/dbraw/zinc/59/35/50/720593550.db2.gz MJTYGIMXGSATPZ-UHFFFAOYSA-N 0 1 438.963 4.086 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc3ccn(C(=O)c4ccccc4)c3n1)[C@H]2C ZINC001164864181 720993111 /nfs/dbraw/zinc/99/31/11/720993111.db2.gz YWSHSWBKWQVOIJ-IBGZPJMESA-N 0 1 442.567 4.343 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(-c3ccncc3)nc3sccc31)[C@@H]2C ZINC001164861781 721015641 /nfs/dbraw/zinc/01/56/41/721015641.db2.gz PIGCNLPYKRLOIJ-MRXNPFEDSA-N 0 1 433.585 4.371 20 0 IIADMN Cn1cc(CN2CC[C@@H]3CN(c4c(Cl)nc(Cl)c(Cl)c4Cl)C[C@@H]3C2)cn1 ZINC001164771002 721101153 /nfs/dbraw/zinc/10/11/53/721101153.db2.gz QVPINARJVROTDN-NEPJUHHUSA-N 0 1 435.186 4.387 20 0 IIADMN FC(F)(c1cccc2ccnc(Cl)c21)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867418 721105509 /nfs/dbraw/zinc/10/55/09/721105509.db2.gz YJRGNHQIXDXGND-OALUTQOASA-N 0 1 444.913 4.308 20 0 IIADMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4cc(Cl)nc5c4CCCCC5)C[C@@H]3C2)cn1 ZINC001164759442 721249073 /nfs/dbraw/zinc/24/90/73/721249073.db2.gz AJGPTADYBIQKNA-MSOLQXFVSA-N 0 1 449.977 4.241 20 0 IIADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)nc5cc(Cl)ccc54)C3)O2)CC1 ZINC001164887102 721401465 /nfs/dbraw/zinc/40/14/65/721401465.db2.gz LAGJXSQMOVMZRD-FDDCHVKYSA-N 0 1 449.426 4.307 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nnc2-c2ccccc2)[C@@H]2CCCO[C@@H]12 ZINC001164800797 721554731 /nfs/dbraw/zinc/55/47/31/721554731.db2.gz FPCXZCURSHUXBS-ZILOHOTNSA-N 0 1 435.959 4.060 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nnc2-c2ccccc2)[C@H]2CCCO[C@@H]12 ZINC001164800792 721555340 /nfs/dbraw/zinc/55/53/40/721555340.db2.gz FPCXZCURSHUXBS-XZDHIHRUSA-N 0 1 435.959 4.060 20 0 IIADMN Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)C4(c5ccc(Cl)nc5)CC4)CCN3C2)c1 ZINC001164909187 721566931 /nfs/dbraw/zinc/56/69/31/721566931.db2.gz SPRNLYPONPKNLL-MJGOQNOKSA-N 0 1 437.893 4.336 20 0 IIADMN COc1ccc2c(cc(Cl)nc2N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164805838 721567373 /nfs/dbraw/zinc/56/73/73/721567373.db2.gz PCGKNDJLVYRFKR-FUPPJEDESA-N 0 1 438.959 4.160 20 0 IIADMN CC[C@H](C)c1nc(Cl)c(C)c(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164808324 721588531 /nfs/dbraw/zinc/58/85/31/721588531.db2.gz QOTNQMHMGURCHE-KNTRFNDTSA-N 0 1 429.996 4.215 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2ccc3c(Cl)ccc(F)c3n2)[C@H]2CCCO[C@H]12 ZINC001164800078 721588767 /nfs/dbraw/zinc/58/87/67/721588767.db2.gz BNZHWPOKHKHLSI-MZKRTTBSSA-N 0 1 426.923 4.291 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c(F)cccc23)[C@H]2CCCO[C@@H]12 ZINC001164808335 721589952 /nfs/dbraw/zinc/58/99/52/721589952.db2.gz QSSNSKSGXPBQPB-JXHRLWIKSA-N 0 1 426.923 4.291 20 0 IIADMN CC1(C)OCc2c1nc(Cl)nc2N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164907113 721695225 /nfs/dbraw/zinc/69/52/25/721695225.db2.gz SDHQQVBYUJQMRZ-NRFANRHFSA-N 0 1 449.933 4.028 20 0 IIADMN FC1(F)CCN(c2ncc3cc(Cl)ccc3n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164908919 721708837 /nfs/dbraw/zinc/70/88/37/721708837.db2.gz ZMGLYOJCYVTQKM-OAQYLSRUSA-N 0 1 429.902 4.416 20 0 IIADMN FC1(F)CCN(c2ccc(-c3ccsc3)nn2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164911806 721733281 /nfs/dbraw/zinc/73/32/81/721733281.db2.gz KLFXEIUEZHIRGC-NRFANRHFSA-N 0 1 427.524 4.338 20 0 IIADMN COc1cc2ccnc(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)c2cc1OC ZINC001164909028 721755824 /nfs/dbraw/zinc/75/58/24/721755824.db2.gz CYCCLDFGYZWAHE-UHFFFAOYSA-N 0 1 444.535 4.435 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncc3cc(Cl)ccc3n2)CC1 ZINC001165022646 721841496 /nfs/dbraw/zinc/84/14/96/721841496.db2.gz QVYWDGNPAHASQO-UHFFFAOYSA-N 0 1 426.948 4.401 20 0 IIADMN COc1ccccc1-c1cc(N(C)C2CCN(Cc3c(OC)cccc3OC)CC2)ncn1 ZINC001165022058 721843959 /nfs/dbraw/zinc/84/39/59/721843959.db2.gz OPHLHEDZTBLDTC-UHFFFAOYSA-N 0 1 448.567 4.270 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4cc(C(=O)OC(C)(C)C)ccn4)CC3)C2)cc1 ZINC001164939309 721922310 /nfs/dbraw/zinc/92/23/10/721922310.db2.gz HTAKPDXJIULHDD-UHFFFAOYSA-N 0 1 437.584 4.217 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(C(F)(F)c4cc(C)nc(Cl)n4)CC3)C2)cc1 ZINC001164940594 721924288 /nfs/dbraw/zinc/92/42/88/721924288.db2.gz UNIRIJIGYAMCRW-UHFFFAOYSA-N 0 1 436.934 4.163 20 0 IIADMN CCOC(=O)c1cnc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)c(Cl)c1 ZINC001164939896 721926492 /nfs/dbraw/zinc/92/64/92/721926492.db2.gz PFYSHBBDXHHVOM-UHFFFAOYSA-N 0 1 443.975 4.092 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4cc(OCc5ccccc5)cnn4)CC3)C2)cc1 ZINC001164940001 721927798 /nfs/dbraw/zinc/92/77/98/721927798.db2.gz PLBWCKPMGBBMHZ-UHFFFAOYSA-N 0 1 444.579 4.235 20 0 IIADMN CCc1cc2c(nc(Cl)nc2N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)[nH]1 ZINC001164939998 721929775 /nfs/dbraw/zinc/92/97/75/721929775.db2.gz PHBGCRXHQQSYPO-UHFFFAOYSA-N 0 1 439.991 4.354 20 0 IIADMN CCOC(=O)c1cnc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)cc1OCC ZINC001164995473 722199168 /nfs/dbraw/zinc/19/91/68/722199168.db2.gz VCIRFIJRTQEFCX-DEOSSOPVSA-N 0 1 427.520 4.041 20 0 IIADMN C[C@@H](CC(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC001123268548 939817827 /nfs/dbraw/zinc/81/78/27/939817827.db2.gz SJAZQDPLGCANLM-SBUREZEXSA-N 0 1 448.485 4.435 20 0 IIADMN O=C([O-])[C@@H](Cc1c[nH]c2ccc(Br)cc12)[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000426805015 1126091518 /nfs/dbraw/zinc/09/15/18/1126091518.db2.gz XZRCDDIQFYENIW-LJQANCHMSA-N 0 1 439.313 4.106 20 0 IIADMN COc1cc(Br)c(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1OC ZINC000604766293 1126100181 /nfs/dbraw/zinc/10/01/81/1126100181.db2.gz YMSFKBHOSWKSEX-YJBOKZPZSA-N 0 1 448.279 4.090 20 0 IIADMN Cc1cc(Br)cn2c(CN[C@@H](Cc3ccccc3)[C@H](O)C(F)(F)F)cnc12 ZINC000680121404 1126105849 /nfs/dbraw/zinc/10/58/49/1126105849.db2.gz VLONDYFZJZNPAG-IRXDYDNUSA-N 0 1 442.279 4.029 20 0 IIADMN COc1ccc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c(Br)c1OC ZINC001197284678 1126153831 /nfs/dbraw/zinc/15/38/31/1126153831.db2.gz KMZVWQSTSIXSST-KBXCAEBGSA-N 0 1 448.279 4.090 20 0 IIADMN C[C@](CO)(Cc1ccc(Br)cc1)NCc1cc(O)ccc1Br ZINC001621022206 1126244664 /nfs/dbraw/zinc/24/46/64/1126244664.db2.gz NFCALKQODHSJCL-QGZVFWFLSA-N 0 1 429.152 4.001 20 0 IIADMN Cc1nc(CN2CCCC23CCN(c2cc(NC(=O)OC(C)(C)C)ncn2)CC3)cs1 ZINC001164691778 719805410 /nfs/dbraw/zinc/80/54/10/719805410.db2.gz JXGJEYLKAPVIIC-UHFFFAOYSA-N 0 1 444.605 4.224 20 0 IIADMN CSc1nc2c(c(N3CCC4(CCCN4Cc4csc(C)n4)CC3)n1)CCCC2 ZINC001164694483 719808068 /nfs/dbraw/zinc/80/80/68/719808068.db2.gz YUTFMUYBLPDLLQ-UHFFFAOYSA-N 0 1 429.659 4.477 20 0 IIADMN COc1cc(C(F)(F)N2CCC3(CC2)CN(Cc2cccs2)CCO3)cc(Cl)n1 ZINC001164696058 719887723 /nfs/dbraw/zinc/88/77/23/719887723.db2.gz VRDXHWAABDUOIZ-UHFFFAOYSA-N 0 1 443.947 4.221 20 0 IIADMN FC(F)(COc1ccnc(Cl)c1)N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164696109 719891816 /nfs/dbraw/zinc/89/18/16/719891816.db2.gz XKFWLORCFNOZSX-UHFFFAOYSA-N 0 1 443.947 4.135 20 0 IIADMN FC(F)(c1cc2ccccc2nc1Cl)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164728841 720573629 /nfs/dbraw/zinc/57/36/29/720573629.db2.gz NDQJTUMZMKZFQP-UHFFFAOYSA-N 0 1 431.918 4.288 20 0 IIADMN c1cc(-c2nc3ccccc3c(N3CCc4ncc(CN5CCCC5)n4CC3)n2)cs1 ZINC001164736669 720583081 /nfs/dbraw/zinc/58/30/81/720583081.db2.gz QLSMZMBHRAJGNF-UHFFFAOYSA-N 0 1 430.581 4.213 20 0 IIADMN CCOC(=O)c1cnc(Cl)c(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)c1Cl ZINC001164856182 720942015 /nfs/dbraw/zinc/94/20/15/720942015.db2.gz CEHNPTFTWROCAA-CYBMUJFWSA-N 0 1 440.375 4.183 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc3ccn(C(=O)c4ccccc4)c3n1)[C@@H]2C ZINC001164864182 720992392 /nfs/dbraw/zinc/99/23/92/720992392.db2.gz YWSHSWBKWQVOIJ-LJQANCHMSA-N 0 1 442.567 4.343 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc3ccccc3nc1N1CCCCC1)[C@H]2C ZINC001164859702 720998601 /nfs/dbraw/zinc/99/86/01/720998601.db2.gz LOHRIXSWFKFGAA-IBGZPJMESA-N 0 1 433.604 4.238 20 0 IIADMN Cc1ccc(CN2CCC3(CC2)CCN(c2nc(Cl)ccc2S(C)(=O)=O)CC3)cc1 ZINC001164760433 721045309 /nfs/dbraw/zinc/04/53/09/721045309.db2.gz UTLXPVGTKUZNCJ-UHFFFAOYSA-N 0 1 448.032 4.330 20 0 IIADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccco5)c4)C[C@H]3C2)cn1 ZINC001164760718 721246493 /nfs/dbraw/zinc/24/64/93/721246493.db2.gz GHZKTCHNSIYOFA-DLBZAZTESA-N 0 1 447.917 4.232 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3cc(F)ccc32)[C@H]2CCCO[C@H]12 ZINC001164796527 721524969 /nfs/dbraw/zinc/52/49/69/721524969.db2.gz ZKIMPZFUSZKBEW-VWPQPMDRSA-N 0 1 426.923 4.291 20 0 IIADMN COc1cnc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c2cc(Cl)ccc12 ZINC001164810497 721553952 /nfs/dbraw/zinc/55/39/52/721553952.db2.gz YNJWFHKOGZJWOL-FUDKSRODSA-N 0 1 438.959 4.160 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nnc2-c2ccccc2)[C@H]2CCCO[C@H]12 ZINC001164800784 721554831 /nfs/dbraw/zinc/55/48/31/721554831.db2.gz FPCXZCURSHUXBS-LEEZEASISA-N 0 1 435.959 4.060 20 0 IIADMN CCCCOc1cnc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c(Cl)c1 ZINC001164806798 721572572 /nfs/dbraw/zinc/57/25/72/721572572.db2.gz RTPJFMFGJGERQI-FDFHNCONSA-N 0 1 430.980 4.177 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(C(C)(C)C)nc(C(C)(C)C)n2)[C@H]2CCCO[C@H]12 ZINC001164799597 721575506 /nfs/dbraw/zinc/57/55/06/721575506.db2.gz CYAJMDAOUWRLPV-MZKRTTBSSA-N 0 1 437.632 4.335 20 0 IIADMN FC1(F)CCN(c2nc(Cl)nc3c2CSC3)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164908427 721696607 /nfs/dbraw/zinc/69/66/07/721696607.db2.gz ZDBRIIKHHXMNOQ-LJQANCHMSA-N 0 1 437.947 4.010 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2ccnc(Cc3ccccc3)n2)CC1 ZINC001165022051 721844349 /nfs/dbraw/zinc/84/43/49/721844349.db2.gz OFSCNWUPOPOGMQ-UHFFFAOYSA-N 0 1 432.568 4.185 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2ccc(COC3CCC3)cn2)CC1 ZINC001165030340 721844699 /nfs/dbraw/zinc/84/46/99/721844699.db2.gz IZYZXNLCRKNZIG-UHFFFAOYSA-N 0 1 425.573 4.269 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4ncnc5sc6c(c54)CCC6)CC3)C2)cc1 ZINC001164938635 721930138 /nfs/dbraw/zinc/93/01/38/721930138.db2.gz CANRUKPWEMPYRV-UHFFFAOYSA-N 0 1 434.609 4.360 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4cc(C)nc(-c5ccncc5)n4)CC3)C2)cc1 ZINC001164938711 721930770 /nfs/dbraw/zinc/93/07/70/721930770.db2.gz FGQYYGRVCSOJJA-UHFFFAOYSA-N 0 1 429.568 4.027 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4cncc(N5CCCCCC5)n4)CC3)C2)cc1 ZINC001164939653 721932409 /nfs/dbraw/zinc/93/24/09/721932409.db2.gz NPCHOYWKWOQLNN-UHFFFAOYSA-N 0 1 435.616 4.037 20 0 IIADMN CSCc1nc2sc3c(c2c(N2CCN(CCc4ccccn4)CC2)n1)CCCC3 ZINC001165055701 722017846 /nfs/dbraw/zinc/01/78/46/722017846.db2.gz STRJWIYFGHGNOU-UHFFFAOYSA-N 0 1 439.654 4.193 20 0 IIADMN Cc1c(Cl)nc(C2CCC2)nc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164966325 722062101 /nfs/dbraw/zinc/06/21/01/722062101.db2.gz QXHXIOWFKWMHET-UHFFFAOYSA-N 0 1 442.007 4.220 20 0 IIADMN Clc1nc2sc(-c3ccccc3)cc2c(N2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)n1 ZINC001164967163 722074076 /nfs/dbraw/zinc/07/40/76/722074076.db2.gz MACQYPGGNZIZAT-CALCHBBNSA-N 0 1 426.973 4.311 20 0 IIADMN Clc1cccc2nc(Cl)c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc12 ZINC001164976166 722152727 /nfs/dbraw/zinc/15/27/27/722152727.db2.gz UNBRWQRFWIXNHC-LPHOPBHVSA-N 0 1 444.366 4.059 20 0 IIADMN C[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C(=O)[O-])c2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000780576641 939137080 /nfs/dbraw/zinc/13/70/80/939137080.db2.gz BTKJTQWZKAXGTR-RLLQIKCJSA-N 0 1 449.473 4.213 20 0 IIADMN Cc1cc(Br)cn2c(CN[C@@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)cnc12 ZINC000680121402 1126105603 /nfs/dbraw/zinc/10/56/03/1126105603.db2.gz VLONDYFZJZNPAG-DLBZAZTESA-N 0 1 442.279 4.029 20 0 IIADMN C[C@@](CO)(Cc1ccc(Br)cc1)NCc1coc(-c2ccc(F)c(F)c2)n1 ZINC001620624359 1126241557 /nfs/dbraw/zinc/24/15/57/1126241557.db2.gz VKKSYWDJTFUDNV-FQEVSTJZSA-N 0 1 437.284 4.466 20 0 IIADMN C[C@@](CO)(Cc1ccc(Cl)cc1)NCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001621486890 1126246716 /nfs/dbraw/zinc/24/67/16/1126246716.db2.gz GRBOPPHRTQXPDC-IBGZPJMESA-N 0 1 425.747 4.311 20 0 IIADMN Cc1nc(CN2CCCC23CCN(c2cncc(N4CCCCCC4)n2)CC3)cs1 ZINC001164692230 719815248 /nfs/dbraw/zinc/81/52/48/719815248.db2.gz OWLVRQXJCBLUQQ-UHFFFAOYSA-N 0 1 426.634 4.257 20 0 IIADMN CSc1nc2c(c(N3CCC4(CC3)CN(Cc3cccs3)CCO4)n1)CCCC2 ZINC001164696037 719891212 /nfs/dbraw/zinc/89/12/12/719891212.db2.gz VMWDXSNWHSQJKC-UHFFFAOYSA-N 0 1 430.643 4.010 20 0 IIADMN CCCN(CCC)c1cc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)ncn1 ZINC001164699285 719895396 /nfs/dbraw/zinc/89/53/96/719895396.db2.gz YVNPOJSRTUYGGS-UHFFFAOYSA-N 0 1 429.634 4.036 20 0 IIADMN COc1ccc(-c2cc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)ncn2)cc1 ZINC001164707935 719899140 /nfs/dbraw/zinc/89/91/40/719899140.db2.gz ZTTQAQXNNKVFJH-UHFFFAOYSA-N 0 1 436.581 4.085 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc(Oc3ccc(F)cc3)n1)[C@H]2C ZINC001164864193 720977295 /nfs/dbraw/zinc/97/72/95/720977295.db2.gz ZGIDWXFHUWXCJX-AWEZNQCLSA-N 0 1 445.930 4.074 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1nc3ccccc3nc1Cl)[C@H]2C ZINC001164860607 720977499 /nfs/dbraw/zinc/97/74/99/720977499.db2.gz PEEXGUKODGBFMT-AWEZNQCLSA-N 0 1 434.922 4.446 20 0 IIADMN FC(F)(c1cccc2ccnc(Cl)c21)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867420 721105609 /nfs/dbraw/zinc/10/56/09/721105609.db2.gz YJRGNHQIXDXGND-RBUKOAKNSA-N 0 1 444.913 4.308 20 0 IIADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ccc4c(Cl)ccnc4n3)C2)C1 ZINC001164782312 721354609 /nfs/dbraw/zinc/35/46/09/721354609.db2.gz MYNRZKLDZJPAAN-QHCPKHFHSA-N 0 1 441.963 4.007 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3ccc(F)cc32)[C@H]2CCCO[C@H]12 ZINC001164800681 721541781 /nfs/dbraw/zinc/54/17/81/721541781.db2.gz DCKKEDVAXWNXAQ-VWPQPMDRSA-N 0 1 426.923 4.291 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc3nc(Cl)cnc3cc2Cl)[C@H]2CCCO[C@H]12 ZINC001164807158 721548386 /nfs/dbraw/zinc/54/83/86/721548386.db2.gz PQQJIFPSVQMGLZ-DWLFOUALSA-N 0 1 444.366 4.200 20 0 IIADMN Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4cccc5c(Cl)ncnc54)CCN3C2)c1 ZINC001164911876 721556851 /nfs/dbraw/zinc/55/68/51/721556851.db2.gz ZSBQVZRZIJGPES-RDJZCZTQSA-N 0 1 448.876 4.309 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(C(C)(C)C)nc(C(C)(C)C)n2)[C@H]2CCCO[C@@H]12 ZINC001164799594 721575251 /nfs/dbraw/zinc/57/52/51/721575251.db2.gz CYAJMDAOUWRLPV-MIZPHKNDSA-N 0 1 437.632 4.335 20 0 IIADMN COc1cc2cnc(Cl)cc2cc1N1C[C@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164799991 721592036 /nfs/dbraw/zinc/59/20/36/721592036.db2.gz BBKZOMKWCABDPK-PTLVVNQVSA-N 0 1 438.959 4.160 20 0 IIADMN CCc1nc(Cl)c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c(Cl)n1 ZINC001164912130 721729173 /nfs/dbraw/zinc/72/91/73/721729173.db2.gz MBJXGJBNWWRDOM-IBGZPJMESA-N 0 1 442.341 4.479 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncnc3c(Cl)cccc32)CC1 ZINC001165023396 721839084 /nfs/dbraw/zinc/83/90/84/721839084.db2.gz WHXKGEHJVIMLQJ-UHFFFAOYSA-N 0 1 426.948 4.401 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2nccc3cc(Cl)ncc32)CC1 ZINC001165023552 721839962 /nfs/dbraw/zinc/83/99/62/721839962.db2.gz ZTVHLKQHURKGFM-UHFFFAOYSA-N 0 1 426.948 4.401 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2nc(Cl)nc3c2COC3(C)C)CC1 ZINC001165022349 721840078 /nfs/dbraw/zinc/84/00/78/721840078.db2.gz RLZNEZQBUVMRII-UHFFFAOYSA-N 0 1 446.979 4.013 20 0 IIADMN CCc1nc2sccc2c(N(C)C2CCN(Cc3c(OC)cccc3OC)CC2)n1 ZINC001165031161 721844658 /nfs/dbraw/zinc/84/46/58/721844658.db2.gz VSVSVEUMQSEZAU-UHFFFAOYSA-N 0 1 426.586 4.372 20 0 IIADMN c1cc(CN2C[C@H]3C[C@@H](C2)N(c2ccc(-c4ccc(N5CCCCC5)cc4)nn2)C3)co1 ZINC001164930036 721901674 /nfs/dbraw/zinc/90/16/74/721901674.db2.gz KIARYTUFEWOHEO-QPPBQGQZSA-N 0 1 429.568 4.438 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4nc(Cl)nc5c4CCCC5)CC3)C2)cc1 ZINC001164939822 721922657 /nfs/dbraw/zinc/92/26/57/721922657.db2.gz NTKUEXWPZUYEOE-UHFFFAOYSA-N 0 1 426.992 4.189 20 0 IIADMN COc1ccccc1-c1ccnc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)n1 ZINC001164939688 721931439 /nfs/dbraw/zinc/93/14/39/721931439.db2.gz OMTDNHIZMFBUCU-UHFFFAOYSA-N 0 1 444.579 4.332 20 0 IIADMN CC(C)(C)c1cc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2s1 ZINC001164975538 722107511 /nfs/dbraw/zinc/10/75/11/722107511.db2.gz CHZBJQCYCLTIDP-ICSRJNTNSA-N 0 1 437.613 4.111 20 0 IIADMN Clc1cccc2nc(Cl)c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc12 ZINC001164976170 722152866 /nfs/dbraw/zinc/15/28/66/722152866.db2.gz UNBRWQRFWIXNHC-VQIMIIECSA-N 0 1 444.366 4.059 20 0 IIADMN CC(C)NC(=O)c1ccc2c(c1)C1(CCN(C(C)(C)c3ccnc(Cl)c3)CC1)C(=O)N2 ZINC001164992168 722187977 /nfs/dbraw/zinc/18/79/77/722187977.db2.gz XESDAFXRCSEYOQ-UHFFFAOYSA-N 0 1 440.975 4.094 20 0 IIADMN CC(C)(C)OC(=O)Nc1nccc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164995731 722197290 /nfs/dbraw/zinc/19/72/90/722197290.db2.gz XKSQLEUSAUHEIR-HSZRJFAPSA-N 0 1 427.524 4.208 20 0 IIADMN C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001123268813 939817974 /nfs/dbraw/zinc/81/79/74/939817974.db2.gz UFMSBENQDTWNLO-ZHRRBRCNSA-N 0 1 432.973 4.056 20 0 IIADMN OC[C@H](Cc1c[nH]c2ccccc12)NCc1cc(Cl)ccc1I ZINC001461203955 1126193852 /nfs/dbraw/zinc/19/38/52/1126193852.db2.gz OIXOBPOHLRJBAQ-HNNXBMFYSA-N 0 1 440.712 4.119 20 0 IIADMN O[C@@H]([C@H](Cc1ccccc1)NCc1ccc(OCc2ccccc2F)nc1)C(F)(F)F ZINC001460688729 1126191442 /nfs/dbraw/zinc/19/14/42/1126191442.db2.gz FUNRUCSNXZIBOT-UNMCSNQZSA-N 0 1 434.433 4.424 20 0 IIADMN COc1ccc(C[C@@](C)(CO)NCc2nc(-c3c(F)cccc3F)cs2)cc1OC ZINC001473839557 1126199801 /nfs/dbraw/zinc/19/98/01/1126199801.db2.gz DKISFUFDXLFSAY-QFIPXVFZSA-N 0 1 434.508 4.189 20 0 IIADMN C[C@](CO)(Cc1ccc(F)cc1)NCc1cc(Cl)ccc1I ZINC001560182182 1126208272 /nfs/dbraw/zinc/20/82/72/1126208272.db2.gz BBGDYCJKMFKTDZ-QGZVFWFLSA-N 0 1 433.692 4.167 20 0 IIADMN C[C@](CO)(Cc1ccc(Cl)cc1)NCc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC001560975889 1126214563 /nfs/dbraw/zinc/21/45/63/1126214563.db2.gz LOFQUNSGVKJNGX-LJQANCHMSA-N 0 1 425.747 4.311 20 0 IIADMN COc1c(Br)cc(CNCc2ccc3c(c2)OCO3)cc1Br ZINC000020927253 521777853 /nfs/dbraw/zinc/77/78/53/521777853.db2.gz WXLROPVDUJTIFT-UHFFFAOYSA-N 0 1 429.108 4.239 20 0 IIADMN Cc1sc2nc(-c3ccc(OC(F)F)cc3)nc(N3C[C@H]4OCCN(C)[C@H]4C3)c2c1C ZINC001164671626 719445082 /nfs/dbraw/zinc/44/50/82/719445082.db2.gz QNIYPCANORLKCE-DLBZAZTESA-N 0 1 446.523 4.096 20 0 IIADMN Cc1nc(CN2CCCC23CCN(C(F)(F)c2cc(Cl)nc(=S)[nH]2)CC3)cs1 ZINC001164692139 719812068 /nfs/dbraw/zinc/81/20/68/719812068.db2.gz MHAFICOZNCHBIQ-UHFFFAOYSA-N 0 1 445.992 4.364 20 0 IIADMN COc1cccc2c1nc(Cl)nc2N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164696104 719891856 /nfs/dbraw/zinc/89/18/56/719891856.db2.gz XGSVWOPDJHWHTK-UHFFFAOYSA-N 0 1 444.988 4.225 20 0 IIADMN CSc1nc2ccccc2c(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1 ZINC001164696651 719893855 /nfs/dbraw/zinc/89/38/55/719893855.db2.gz GMHDMLWGTUYJJH-UHFFFAOYSA-N 0 1 426.611 4.285 20 0 IIADMN COc1cccc(-c2ccc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)nn2)c1 ZINC001164707363 719898293 /nfs/dbraw/zinc/89/82/93/719898293.db2.gz QMCSRAHJLKQMPN-UHFFFAOYSA-N 0 1 436.581 4.085 20 0 IIADMN Cc1nc(-c2ccccc2Cl)nc(N2CCc3ncc(CN4CCCC4)n3CC2)c1C ZINC001164736641 720588500 /nfs/dbraw/zinc/58/85/00/720588500.db2.gz QAIGDRNINLAVPF-UHFFFAOYSA-N 0 1 436.991 4.269 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)ncc1OCc1ccccc1)[C@H]2C ZINC001164857826 720964715 /nfs/dbraw/zinc/96/47/15/720964715.db2.gz HLRCJMJVYNOTOL-KRWDZBQOSA-N 0 1 440.979 4.327 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc3ccccc3nc1N1CCCCC1)[C@@H]2C ZINC001164859703 720999779 /nfs/dbraw/zinc/99/97/79/720999779.db2.gz LOHRIXSWFKFGAA-LJQANCHMSA-N 0 1 433.604 4.238 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(c1ncnc3c(-c4ccccc4)nsc31)[C@@H]2C ZINC001164858866 721004749 /nfs/dbraw/zinc/00/47/49/721004749.db2.gz IPRUQOIZPPTLCO-MRXNPFEDSA-N 0 1 433.585 4.371 20 0 IIADMN COc1ccc(Cc2c(C)nc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)nc2C)cc1 ZINC001164863119 721016594 /nfs/dbraw/zinc/01/65/94/721016594.db2.gz SYRPYQJTEYVXJR-HXUWFJFHSA-N 0 1 448.615 4.311 20 0 IIADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ncnc4ccc(C(C)C)cc43)C2)C1 ZINC001164786191 721367608 /nfs/dbraw/zinc/36/76/08/721367608.db2.gz WSNZUHILNMQDGY-AREMUKBSSA-N 0 1 449.599 4.477 20 0 IIADMN Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4nc(Cl)c5ccccc5n4)CCN3C2)c1 ZINC001164899754 721514241 /nfs/dbraw/zinc/51/42/41/721514241.db2.gz MIGLCSNNVRISQJ-WBVHZDCISA-N 0 1 448.876 4.309 20 0 IIADMN Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)C4(c5ccnc(Cl)c5)CC4)CCN3C2)c1 ZINC001164908028 721566732 /nfs/dbraw/zinc/56/67/32/721566732.db2.gz PGXFYVMDMLLISZ-HKUYNNGSSA-N 0 1 437.893 4.336 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c(F)ccc(F)c23)[C@@H]2CCCO[C@@H]12 ZINC001164802638 721590946 /nfs/dbraw/zinc/59/09/46/721590946.db2.gz HKZUCHLLXXFUET-LYHRCORUSA-N 0 1 444.913 4.430 20 0 IIADMN COc1cc2cnc(Cl)cc2cc1N1C[C@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164799987 721592258 /nfs/dbraw/zinc/59/22/58/721592258.db2.gz BBKZOMKWCABDPK-IZIIKQMZSA-N 0 1 438.959 4.160 20 0 IIADMN FC1(F)CCN(c2nccc(Oc3ccccc3)n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164907115 721694721 /nfs/dbraw/zinc/69/47/21/721694721.db2.gz SFLKNROZKOAYMU-HSZRJFAPSA-N 0 1 437.494 4.402 20 0 IIADMN FC(F)(Oc1cccc(Cl)n1)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164908324 721695219 /nfs/dbraw/zinc/69/52/19/721695219.db2.gz YKCNMHCQAHPHDH-GOSISDBHSA-N 0 1 444.860 4.292 20 0 IIADMN FC1(F)CCN(c2ncc3c(n2)-c2ccccc2CC3)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164904222 721718534 /nfs/dbraw/zinc/71/85/34/721718534.db2.gz AUKRRWGSGCDWEZ-RUZDIDTESA-N 0 1 447.533 4.375 20 0 IIADMN CN(C)C(=O)CN1CCC2(CCCN2c2c(Cl)nc(Cl)c(Cl)c2Cl)CC1 ZINC001165010651 721733908 /nfs/dbraw/zinc/73/39/08/721733908.db2.gz IRLXPOKWIAVDRC-UHFFFAOYSA-N 0 1 440.202 4.218 20 0 IIADMN Cc1ccc(-c2nc3ccccc3c(N3CCCC34CCN(CC(=O)N(C)C)CC4)n2)s1 ZINC001165010874 721745858 /nfs/dbraw/zinc/74/58/58/721745858.db2.gz PYUPJURBWKFGFG-UHFFFAOYSA-N 0 1 449.624 4.190 20 0 IIADMN CN(C)c1cc(Cl)nc(C(F)(F)N2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)n1 ZINC001165014978 721766828 /nfs/dbraw/zinc/76/68/28/721766828.db2.gz KWTZATJJTKPUKT-UHFFFAOYSA-N 0 1 444.873 4.252 20 0 IIADMN COc1cccc(-c2ccc(N(C)C3CCN(Cc4c(OC)cccc4OC)CC3)nn2)c1 ZINC001165021273 721843299 /nfs/dbraw/zinc/84/32/99/721843299.db2.gz KHUIUUGLGPTHEZ-UHFFFAOYSA-N 0 1 448.567 4.270 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(C(F)(F)c4cc(N)cc(Cl)n4)CC3)C2)cc1 ZINC001164939921 721926999 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CC(C)(C)c1cc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2s1 ZINC001164975537 722107414 /nfs/dbraw/zinc/10/74/14/722107414.db2.gz CHZBJQCYCLTIDP-AZUAARDMSA-N 0 1 437.613 4.111 20 0 IIADMN C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C(=O)[O-])c2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000780576633 939136927 /nfs/dbraw/zinc/13/69/27/939136927.db2.gz BTKJTQWZKAXGTR-DFQSSKMNSA-N 0 1 449.473 4.213 20 0 IIADMN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001123267481 939816681 /nfs/dbraw/zinc/81/66/81/939816681.db2.gz IHUNOEGFCQYIPW-IBVKSMDESA-N 0 1 438.568 4.121 20 0 IIADMN COc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)cc1-c1ccccc1 ZINC001123267435 939816914 /nfs/dbraw/zinc/81/69/14/939816914.db2.gz GICNOYNJGUHCEZ-MHZLTWQESA-N 0 1 444.531 4.211 20 0 IIADMN CC(C)(C)OC(=O)Nc1ccc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cn1 ZINC000756118028 1126106978 /nfs/dbraw/zinc/10/69/78/1126106978.db2.gz JXWVUKDOQDCFSR-WMZOPIPTSA-N 0 1 425.451 4.053 20 0 IIADMN OC[C@]1(NCc2coc(-c3ccc(F)c(F)c3)n2)CCc2cc(Br)ccc2C1 ZINC001620419431 1126240416 /nfs/dbraw/zinc/24/04/16/1126240416.db2.gz XKLNDFMTYUVTJF-NRFANRHFSA-N 0 1 449.295 4.392 20 0 IIADMN C[N@H+](Cc1ccccc1)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000584883624 557194237 /nfs/dbraw/zinc/19/42/37/557194237.db2.gz XLRGJNLCIGABIX-XMMPIXPASA-N 0 1 430.504 4.110 20 0 IIADMN C[N@H+](Cc1ccccc1)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000584883623 557194301 /nfs/dbraw/zinc/19/43/01/557194301.db2.gz XLRGJNLCIGABIX-DEOSSOPVSA-N 0 1 430.504 4.110 20 0 IIADMN Cc1sc2nc(-c3ccc(OC(F)F)cc3)nc(N3C[C@@H]4[C@H](C3)OCCN4C)c2c1C ZINC001164671639 719445749 /nfs/dbraw/zinc/44/57/49/719445749.db2.gz QNIYPCANORLKCE-SJORKVTESA-N 0 1 446.523 4.096 20 0 IIADMN CCOC(=O)/C=C\c1cccnc1N1CCC2(CCCN2Cc2csc(C)n2)CC1 ZINC001164693481 719803897 /nfs/dbraw/zinc/80/38/97/719803897.db2.gz UCNVYIXFUXIQMR-FPLPWBNLSA-N 0 1 426.586 4.058 20 0 IIADMN Cc1nc(CN2CCCC23CCN(c2nc(Cl)nc4c2CSCC4)CC3)cs1 ZINC001164691845 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FC(F)(c1cccnc1Cl)N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164903418 721583867 /nfs/dbraw/zinc/58/38/67/721583867.db2.gz NEOXTPZPMWKXSK-SFHVURJKSA-N 0 1 428.861 4.413 20 0 IIADMN FC(F)(Oc1cccnc1Cl)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164908509 721694097 /nfs/dbraw/zinc/69/40/97/721694097.db2.gz ZRTGPTYZIMABNK-GOSISDBHSA-N 0 1 444.860 4.292 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2nccnc2Oc2ccccc2)CC1 ZINC001165031143 721844778 /nfs/dbraw/zinc/84/47/78/721844778.db2.gz VBKSXCVZWSLDGP-UHFFFAOYSA-N 0 1 434.540 4.387 20 0 IIADMN Clc1cnc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c(-c2ccccc2)n1 ZINC001164962407 722060193 /nfs/dbraw/zinc/06/01/93/722060193.db2.gz RQMFMUJNUVHVLZ-UHFFFAOYSA-N 0 1 449.986 4.311 20 0 IIADMN Clc1ccc(-c2csc3ncnc(N4C[C@H]5CN(CC6CC6)C[C@@H](C4)O5)c23)cc1 ZINC001164967496 722075285 /nfs/dbraw/zinc/07/52/85/722075285.db2.gz RXTYYLUFGUCQDO-HDICACEKSA-N 0 1 426.973 4.311 20 0 IIADMN Clc1cc2c(Cl)ccnc2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164971903 722114191 /nfs/dbraw/zinc/11/41/91/722114191.db2.gz DEMCDGIIXQGJGJ-LPHOPBHVSA-N 0 1 444.366 4.059 20 0 IIADMN O=C([O-])[C@@]1(NC(=O)CCc2ccc(-c3ccccc3)o2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001123372822 939823497 /nfs/dbraw/zinc/82/34/97/939823497.db2.gz WLKSJDPCCWCILU-AREMUKBSSA-N 0 1 432.520 4.115 20 0 IIADMN CCOc1cc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)ccc1OC(=O)CC ZINC001308263545 1126164623 /nfs/dbraw/zinc/16/46/23/1126164623.db2.gz DUWLEIBQHMQLHY-LAUBAEHRSA-N 0 1 425.447 4.025 20 0 IIADMN OC[C@]1(NCc2nnc(-c3cccc(Cl)c3)o2)CCc2cc(Br)ccc2C1 ZINC001460422089 1126191139 /nfs/dbraw/zinc/19/11/39/1126191139.db2.gz JMHHXEAXPOXERJ-FQEVSTJZSA-N 0 1 448.748 4.162 20 0 IIADMN C[C@](CO)(Cc1ccc(Br)cc1)NCc1coc(-c2ccc(F)c(F)c2)n1 ZINC001620624360 1126241681 /nfs/dbraw/zinc/24/16/81/1126241681.db2.gz VKKSYWDJTFUDNV-HXUWFJFHSA-N 0 1 437.284 4.466 20 0 IIADMN Cn1nc(C(=O)Nc2ccc3nc(-c4ccccc4Cl)[nH]c3c2)c2ccccc2c1=O ZINC000040156229 569494098 /nfs/dbraw/zinc/49/40/98/569494098.db2.gz AVSYZFVYBYRZAB-UHFFFAOYSA-N 0 1 429.867 4.383 20 0 IIADMN Cc1nc(CN2CCCC23CCN(c2cncc(OCc4ccccc4)n2)CC3)cs1 ZINC001164691500 719805105 /nfs/dbraw/zinc/80/51/05/719805105.db2.gz IHDBAEYQQNFMJP-UHFFFAOYSA-N 0 1 435.597 4.456 20 0 IIADMN Cc1nc(CN2CCCC23CCN(c2ccc(C(=O)OC(C)(C)C)cn2)CC3)cs1 ZINC001164694453 719808309 /nfs/dbraw/zinc/80/83/09/719808309.db2.gz YCJKTYKQDPAKRS-UHFFFAOYSA-N 0 1 428.602 4.437 20 0 IIADMN CSc1nc2ncnc(N3CCC4(CCCN4Cc4csc(C)n4)CC3)c2s1 ZINC001164691682 719811000 /nfs/dbraw/zinc/81/10/00/719811000.db2.gz JSYOADXYLCENSX-UHFFFAOYSA-N 0 1 432.644 4.208 20 0 IIADMN COC(=O)c1cc2ccccc2nc1N1CCC2(CCCN2Cc2csc(C)n2)CC1 ZINC001164691300 719811082 /nfs/dbraw/zinc/81/10/82/719811082.db2.gz FCOKAJITPPXJJO-UHFFFAOYSA-N 0 1 436.581 4.421 20 0 IIADMN Fc1cc(C(F)(F)N2CCC3(CC2)CN(Cc2cccs2)CCO3)cnc1Cl ZINC001164694711 719891415 /nfs/dbraw/zinc/89/14/15/719891415.db2.gz CUQSDUCVWKJXGU-UHFFFAOYSA-N 0 1 431.911 4.352 20 0 IIADMN Cc1nc(C)c(-c2ccc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)nn2)s1 ZINC001164707104 719903413 /nfs/dbraw/zinc/90/34/13/719903413.db2.gz NOLRZQMDVCAMJF-UHFFFAOYSA-N 0 1 441.626 4.150 20 0 IIADMN Fc1ccc2c(Cl)ncnc2c1N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164706476 719909201 /nfs/dbraw/zinc/90/92/01/719909201.db2.gz IRKSSNOKLHJEIJ-UHFFFAOYSA-N 0 1 432.952 4.355 20 0 IIADMN c1nc2n(c1CN1CCCC1)CCN(c1nnc(Cc3ccccc3)c3ccccc31)CC2 ZINC001164736572 720579408 /nfs/dbraw/zinc/57/94/08/720579408.db2.gz NQDHYLUAGCVFRO-UHFFFAOYSA-N 0 1 438.579 4.076 20 0 IIADMN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164740204 720598361 /nfs/dbraw/zinc/59/83/61/720598361.db2.gz HSEZSEIFDSVMKI-UHFFFAOYSA-N 0 1 447.917 4.395 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)ncc1OCc1ccccc1)[C@@H]2C ZINC001164857832 720964971 /nfs/dbraw/zinc/96/49/71/720964971.db2.gz HLRCJMJVYNOTOL-QGZVFWFLSA-N 0 1 440.979 4.327 20 0 IIADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4c(Cl)ccc5ccc(Cl)nc54)C3)O2)CC1 ZINC001164884334 721447272 /nfs/dbraw/zinc/44/72/72/721447272.db2.gz ASCGMSYXRFHVQH-MBSDFSHPSA-N 0 1 449.426 4.307 20 0 IIADMN CC[C@H](C)c1nc(Cl)c(C)c(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164808323 721588414 /nfs/dbraw/zinc/58/84/14/721588414.db2.gz QOTNQMHMGURCHE-JOCLIGHLSA-N 0 1 429.996 4.215 20 0 IIADMN FC1(F)CCN(c2ncc3ccc(Cl)cc3n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164905507 721710750 /nfs/dbraw/zinc/71/07/50/721710750.db2.gz GZRPXGWHFHLWEX-OAQYLSRUSA-N 0 1 429.902 4.416 20 0 IIADMN FC1(F)CCN(c2ncc3c(n2)-c2ccccc2CC3)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164904229 721719348 /nfs/dbraw/zinc/71/93/48/721719348.db2.gz AUKRRWGSGCDWEZ-VWLOTQADSA-N 0 1 447.533 4.375 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2cnc3cccc(Cl)c3n2)CC1 ZINC001165023475 721839538 /nfs/dbraw/zinc/83/95/38/721839538.db2.gz ZILCUHGJRGDMJI-UHFFFAOYSA-N 0 1 426.948 4.401 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2ccc(-c3cccc(F)c3)nn2)CC1 ZINC001165022977 721844430 /nfs/dbraw/zinc/84/44/30/721844430.db2.gz UXIVWGUZIDFYFL-UHFFFAOYSA-N 0 1 436.531 4.401 20 0 IIADMN Clc1ccc(-c2ccc(C3OCCCO3)c(N3CCN(C[C@@H]4CCCO4)CC3)c2)cn1 ZINC001165036205 721914853 /nfs/dbraw/zinc/91/48/53/721914853.db2.gz AEBCQWNBTBAFFL-FQEVSTJZSA-N 0 1 443.975 4.139 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4ncc5c(n4)-c4ccccc4CC5)CC3)C2)cc1 ZINC001164938994 721929438 /nfs/dbraw/zinc/92/94/38/721929438.db2.gz GIUVOZYMENNGFW-UHFFFAOYSA-N 0 1 440.591 4.422 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4nc(Cl)cc(-c5ccncc5)n4)CC3)C2)cc1 ZINC001164945437 721933194 /nfs/dbraw/zinc/93/31/94/721933194.db2.gz WTFVPTSEMYRZMW-UHFFFAOYSA-N 0 1 449.986 4.372 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4ncnc5[nH]c6cc(F)ccc6c54)CC3)C2)cc1 ZINC001164940453 721933613 /nfs/dbraw/zinc/93/36/13/721933613.db2.gz DAJWPTMALYEMAA-UHFFFAOYSA-N 0 1 445.542 4.430 20 0 IIADMN COCc1nc2scc(-c3ccccc3)c2c(N2CCN(CCc3ccccn3)CC2)n1 ZINC001165056033 722018862 /nfs/dbraw/zinc/01/88/62/722018862.db2.gz UTXOTWVAMXQIOM-UHFFFAOYSA-N 0 1 445.592 4.264 20 0 IIADMN Fc1cccc(CN2CC[C@]23CCCN(c2ccc(-c4ccc5c(c4)OCCO5)nn2)C3)c1 ZINC001164994818 722208566 /nfs/dbraw/zinc/20/85/66/722208566.db2.gz IJQXMEAKJZLBOU-SANMLTNESA-N 0 1 446.526 4.299 20 0 IIADMN C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001123268810 939817540 /nfs/dbraw/zinc/81/75/40/939817540.db2.gz UFMSBENQDTWNLO-AOMKIAJQSA-N 0 1 432.973 4.056 20 0 IIADMN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001123372516 939822803 /nfs/dbraw/zinc/82/28/03/939822803.db2.gz OKMOLULGWVRNEG-SBUREZEXSA-N 0 1 448.485 4.120 20 0 IIADMN COc1cc(Br)c(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cc1OC ZINC000604766292 1126099984 /nfs/dbraw/zinc/09/99/84/1126099984.db2.gz YMSFKBHOSWKSEX-QAPCUYQASA-N 0 1 448.279 4.090 20 0 IIADMN COc1cccc(-c2nc(CN[C@@]3(CO)CCc4cc(Br)ccc4C3)co2)c1 ZINC001196104535 1126153554 /nfs/dbraw/zinc/15/35/54/1126153554.db2.gz NQFLHPHPCFHTON-QFIPXVFZSA-N 0 1 443.341 4.122 20 0 IIADMN C[C@@](CO)(Cc1ccccc1F)NCc1cc(Br)sc1Br ZINC001308479459 1126166463 /nfs/dbraw/zinc/16/64/63/1126166463.db2.gz JVWNVVGYGBXNFP-HNNXBMFYSA-N 0 1 437.172 4.496 20 0 IIADMN C[C@@](CO)(Cc1ccc(Br)cc1)NCc1nc(C(F)(F)F)n2c1CCCC2 ZINC001461672215 1126195824 /nfs/dbraw/zinc/19/58/24/1126195824.db2.gz MMUXYLWICHLQDN-SFHVURJKSA-N 0 1 446.311 4.084 20 0 IIADMN COc1ccc(C[C@@](C)(CO)NCc2ncc(-c3ccccc3Br)o2)cc1 ZINC001560183204 1126208894 /nfs/dbraw/zinc/20/88/94/1126208894.db2.gz WUXAIRZELHQKJU-NRFANRHFSA-N 0 1 431.330 4.196 20 0 IIADMN COc1ccc(C[C@@](C)(CO)NCc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)cc1 ZINC001620624524 1126241870 /nfs/dbraw/zinc/24/18/70/1126241870.db2.gz ZCDZSOVXQKAVBN-DEOSSOPVSA-N 0 1 435.549 4.156 20 0 IIADMN COc1ccccc1C[C@@](C)(CO)NCc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1 ZINC001620536880 1126240947 /nfs/dbraw/zinc/24/09/47/1126240947.db2.gz GRAPZXFQTUQADW-DEOSSOPVSA-N 0 1 435.549 4.156 20 0 IIADMN Cc1nc(CN2CCCC23CCN(c2ncccc2C(=O)N2CCCCC2)CC3)cs1 ZINC001164693738 719804017 /nfs/dbraw/zinc/80/40/17/719804017.db2.gz UNDTVUBYDOVAKC-UHFFFAOYSA-N 0 1 439.629 4.108 20 0 IIADMN COc1cc2ncnc(N3CCC4(CCCN4Cc4csc(C)n4)CC3)c2cc1OC ZINC001164691787 719805228 /nfs/dbraw/zinc/80/52/28/719805228.db2.gz JZRISTABKCSAFI-UHFFFAOYSA-N 0 1 439.585 4.047 20 0 IIADMN Cc1nc(CN2CCCC23CCN(c2ccc(N4CCC(C)CC4)nn2)CC3)cs1 ZINC001164691274 719814063 /nfs/dbraw/zinc/81/40/63/719814063.db2.gz CRJLPLIAQDJTNI-UHFFFAOYSA-N 0 1 426.634 4.113 20 0 IIADMN CC(C)(C)OC(=O)Nc1ccc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)nc1 ZINC001164698328 719897118 /nfs/dbraw/zinc/89/71/18/719897118.db2.gz RNEKXCJHYXVBCL-UHFFFAOYSA-N 0 1 444.601 4.362 20 0 IIADMN Cc1nc(-c2ccncc2)nc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)c1C ZINC001164705488 719902090 /nfs/dbraw/zinc/90/20/90/719902090.db2.gz CHXUDDDHPRXDOK-UHFFFAOYSA-N 0 1 435.597 4.088 20 0 IIADMN Fc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1 ZINC001164722948 720476540 /nfs/dbraw/zinc/47/65/40/720476540.db2.gz BHCJYIKVIHTHDQ-RBUKOAKNSA-N 0 1 425.895 4.310 20 0 IIADMN c1nc2n(c1CN1CCCC1)CCN(c1ncnc3scc(-c4ccccc4)c31)CC2 ZINC001164734143 720555227 /nfs/dbraw/zinc/55/52/27/720555227.db2.gz VZRCFUZLADBGEQ-UHFFFAOYSA-N 0 1 430.581 4.213 20 0 IIADMN FC(F)(c1cccc2c(Cl)nccc21)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866703 721118277 /nfs/dbraw/zinc/11/82/77/721118277.db2.gz USRJRDLEHSLTKY-MSOLQXFVSA-N 0 1 444.913 4.308 20 0 IIADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc(-c4ccccc4)ccn3)C2)C1 ZINC001164778731 721341876 /nfs/dbraw/zinc/34/18/76/721341876.db2.gz OHBBYTIKNAAGNY-AREMUKBSSA-N 0 1 432.568 4.472 20 0 IIADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3nncc4cc(Cl)ccc43)C2)C1 ZINC001164777367 721352547 /nfs/dbraw/zinc/35/25/47/721352547.db2.gz GLSYZJWUTKHVIE-QHCPKHFHSA-N 0 1 441.963 4.007 20 0 IIADMN COc1cnc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c2cc(Cl)ccc12 ZINC001164810503 721554856 /nfs/dbraw/zinc/55/48/56/721554856.db2.gz YNJWFHKOGZJWOL-QNWVGRARSA-N 0 1 438.959 4.160 20 0 IIADMN Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4cc(C5CC5)nnc4Cl)CCN3C2)c1 ZINC001164909167 721555527 /nfs/dbraw/zinc/55/55/27/721555527.db2.gz SHJXZPOTTVHNEB-DOTOQJQBSA-N 0 1 438.881 4.033 20 0 IIADMN Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4cccc5c(Cl)ncnc54)CCN3C2)c1 ZINC001164911877 721556654 /nfs/dbraw/zinc/55/66/54/721556654.db2.gz ZSBQVZRZIJGPES-WBVHZDCISA-N 0 1 448.876 4.309 20 0 IIADMN CCCCOc1cnc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c(Cl)c1 ZINC001164806796 721572259 /nfs/dbraw/zinc/57/22/59/721572259.db2.gz RTPJFMFGJGERQI-BHIFYINESA-N 0 1 430.980 4.177 20 0 IIADMN FC(F)(c1cccc(Cl)n1)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906141 721584134 /nfs/dbraw/zinc/58/41/34/721584134.db2.gz YZQPLGBNABIOHS-GOSISDBHSA-N 0 1 428.861 4.413 20 0 IIADMN FC(F)(Oc1cccnc1Cl)N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164908510 721693905 /nfs/dbraw/zinc/69/39/05/721693905.db2.gz ZRTGPTYZIMABNK-SFHVURJKSA-N 0 1 444.860 4.292 20 0 IIADMN CCc1c(Cl)nnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1CC ZINC001164908071 721706235 /nfs/dbraw/zinc/70/62/35/721706235.db2.gz UZISBCAGUJKVGF-OAQYLSRUSA-N 0 1 435.950 4.388 20 0 IIADMN FC1(F)CCN(c2nc3c(nc2Cl)CCCC3)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164913968 721737263 /nfs/dbraw/zinc/73/72/63/721737263.db2.gz ZSTXCDPLPHLDSA-OAQYLSRUSA-N 0 1 433.934 4.142 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2nnc(Cl)c3ccccc32)CC1 ZINC001165023369 721838747 /nfs/dbraw/zinc/83/87/47/721838747.db2.gz VTXOAEBAKNAWQP-UHFFFAOYSA-N 0 1 426.948 4.401 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2cnc3cc(Cl)ccc3n2)CC1 ZINC001165021528 721839967 /nfs/dbraw/zinc/83/99/67/721839967.db2.gz NPTHIRSLMNWGOX-UHFFFAOYSA-N 0 1 426.948 4.401 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncc(F)c(-c3ccsc3)n2)CC1 ZINC001165031110 721845055 /nfs/dbraw/zinc/84/50/55/721845055.db2.gz SMSUDQPUTFDRJW-UHFFFAOYSA-N 0 1 442.560 4.462 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4cc(Oc5ccccc5)ncn4)CC3)C2)cc1 ZINC001164938933 721922827 /nfs/dbraw/zinc/92/28/27/721922827.db2.gz CFRMAKSHNDMCKD-UHFFFAOYSA-N 0 1 430.552 4.449 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(C(F)(F)c4cc(C)nnc4Cl)CC3)C2)cc1 ZINC001164938603 721931183 /nfs/dbraw/zinc/93/11/83/721931183.db2.gz AIEGVPSLBLCKIS-UHFFFAOYSA-N 0 1 436.934 4.163 20 0 IIADMN Cc1nc2cc(Cl)ccc2c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164964564 722056341 /nfs/dbraw/zinc/05/63/41/722056341.db2.gz VOQVSMHPYMRJMC-UHFFFAOYSA-N 0 1 437.975 4.106 20 0 IIADMN Cc1cc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc(-c2cccs2)n1 ZINC001164961516 722060548 /nfs/dbraw/zinc/06/05/48/722060548.db2.gz LDEXPERXBXFLRN-UHFFFAOYSA-N 0 1 435.597 4.028 20 0 IIADMN CC[C@H](C)c1nc(Cl)c(C)c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164963010 722062134 /nfs/dbraw/zinc/06/21/34/722062134.db2.gz ARXOQVGLENRXPH-SFHVURJKSA-N 0 1 444.023 4.466 20 0 IIADMN Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2C[C@H]3CN(CC4CC4)C[C@@H](C2)O3)n1 ZINC001164968019 722072294 /nfs/dbraw/zinc/07/22/94/722072294.db2.gz YIQJWZQQEOEXBV-SZPZYZBQSA-N 0 1 447.970 4.158 20 0 IIADMN Clc1cc(C2CCCCC2)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164971126 722154203 /nfs/dbraw/zinc/15/42/03/722154203.db2.gz ATWXYHDTESNOJM-IFMALSPDSA-N 0 1 442.007 4.300 20 0 IIADMN CC(C)(C)OC(=O)Nc1cc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)ncn1 ZINC001164995849 722195127 /nfs/dbraw/zinc/19/51/27/722195127.db2.gz YQQZNVMQXFHUFS-QHCPKHFHSA-N 0 1 427.524 4.208 20 0 IIADMN O=C([O-])[C@]1(NC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CCC[N@@H+](Cc2ccccc2)C1 ZINC001123268580 939818117 /nfs/dbraw/zinc/81/81/17/939818117.db2.gz SQODKJGRLNEPCU-QFIPXVFZSA-N 0 1 446.334 4.324 20 0 IIADMN CC(C)(C)OC(=O)NC(C)(C)c1cc(CN[C@@](C)(CO)Cc2ccc(Cl)cc2)on1 ZINC001183419203 1126153312 /nfs/dbraw/zinc/15/33/12/1126153312.db2.gz JCBIMXLEAVTFQM-JOCHJYFZSA-N 0 1 437.968 4.171 20 0 IIADMN C[C@](CO)(Cc1ccc(Br)cc1)NCc1c(F)cccc1Br ZINC001308117837 1126163597 /nfs/dbraw/zinc/16/35/97/1126163597.db2.gz NGRCJYJVXHQVKX-QGZVFWFLSA-N 0 1 431.143 4.434 20 0 IIADMN CCOc1cc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)ccc1OC(=O)CC ZINC001308263546 1126164569 /nfs/dbraw/zinc/16/45/69/1126164569.db2.gz DUWLEIBQHMQLHY-UTKZUKDTSA-N 0 1 425.447 4.025 20 0 IIADMN Cc1ccc(NS(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)cc1Cl ZINC000073142122 563169060 /nfs/dbraw/zinc/16/90/60/563169060.db2.gz ILODPCVNXGFBLH-UHFFFAOYSA-N 0 1 429.723 4.096 20 0 IIADMN CCOC(=O)/C=C/c1cccnc1N1CCC2(CCCN2Cc2csc(C)n2)CC1 ZINC001164693480 719804163 /nfs/dbraw/zinc/80/41/63/719804163.db2.gz UCNVYIXFUXIQMR-BQYQJAHWSA-N 0 1 426.586 4.058 20 0 IIADMN COc1cc2ncnc(N3CCC4(CCCN4Cc4csc(C)n4)CC3)c2c(OC)c1 ZINC001164693009 719809484 /nfs/dbraw/zinc/80/94/84/719809484.db2.gz OXQZGSWRQQLRHP-UHFFFAOYSA-N 0 1 439.585 4.047 20 0 IIADMN FC(F)(c1nc(Cl)ncc1Cl)N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164695321 719888878 /nfs/dbraw/zinc/88/88/78/719888878.db2.gz NRPMDSPNNLWNQV-UHFFFAOYSA-N 0 1 449.354 4.261 20 0 IIADMN COc1cc2ccc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)nc2cc1OC ZINC001164696209 719894444 /nfs/dbraw/zinc/89/44/44/719894444.db2.gz CCTLAXRUGDPDHE-UHFFFAOYSA-N 0 1 439.581 4.185 20 0 IIADMN Fc1cnc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)nc1-c1ccsc1 ZINC001164706310 719907877 /nfs/dbraw/zinc/90/78/77/719907877.db2.gz HLOJHBIZGOVAOR-UHFFFAOYSA-N 0 1 430.574 4.277 20 0 IIADMN FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164740944 720598680 /nfs/dbraw/zinc/59/86/80/720598680.db2.gz KTAPSHPTRNSFRT-UHFFFAOYSA-N 0 1 449.977 4.404 20 0 IIADMN FC(F)(c1cc2ccccc2nc1Cl)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866652 721114456 /nfs/dbraw/zinc/11/44/56/721114456.db2.gz UNHVTTFRYXEDQE-RBUKOAKNSA-N 0 1 444.913 4.308 20 0 IIADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cc(-c4ccccc4)ccn3)C2)C1 ZINC001164778748 721341481 /nfs/dbraw/zinc/34/14/81/721341481.db2.gz OHBBYTIKNAAGNY-SANMLTNESA-N 0 1 432.568 4.472 20 0 IIADMN CSc1cc(Cl)ncc1N1CCC[C@@]2(C1)COCCN(Cc1c(C)noc1C)C2 ZINC001164777300 721346459 /nfs/dbraw/zinc/34/64/59/721346459.db2.gz FUERDCMMZNHVCX-OAQYLSRUSA-N 0 1 437.009 4.181 20 0 IIADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc5c(Cl)ccc(Cl)c5n4)C3)O2)CC1 ZINC001164897879 721446821 /nfs/dbraw/zinc/44/68/21/721446821.db2.gz VBTFDYUNFDFJAL-GAJHUEQPSA-N 0 1 449.426 4.307 20 0 IIADMN COc1cccc2c(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)cc(Cl)nc12 ZINC001164794546 721525955 /nfs/dbraw/zinc/52/59/55/721525955.db2.gz FSNQFHHNQRSFHK-LJFZDNNRSA-N 0 1 438.959 4.160 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2nccc3cc(F)c(Cl)cc32)[C@@H]2CCCO[C@H]12 ZINC001164811307 721587706 /nfs/dbraw/zinc/58/77/06/721587706.db2.gz XFPJRMQJIABWEB-VSKRKVRLSA-N 0 1 426.923 4.291 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2ccc3c(Cl)ccc(F)c3n2)[C@@H]2CCCO[C@@H]12 ZINC001164800079 721588874 /nfs/dbraw/zinc/58/88/74/721588874.db2.gz BNZHWPOKHKHLSI-TXTKFYIRSA-N 0 1 426.923 4.291 20 0 IIADMN Fc1ccc(-c2cc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)ncn2)cc1 ZINC001164910555 721727901 /nfs/dbraw/zinc/72/79/01/721727901.db2.gz FXVVFJXWIGZIMU-HSZRJFAPSA-N 0 1 439.485 4.415 20 0 IIADMN Cc1ccc(-c2nc3ccccc3c(N3CCCC34CCN(CC(=O)N(C)C)CC4)n2)cc1 ZINC001165011428 721741623 /nfs/dbraw/zinc/74/16/23/721741623.db2.gz XFYUZMKNPNVNKE-UHFFFAOYSA-N 0 1 443.595 4.128 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2nc(Cl)nc3c2CCCC3)CC1 ZINC001165022247 721839322 /nfs/dbraw/zinc/83/93/22/721839322.db2.gz QNBJXEYPCGPAGH-UHFFFAOYSA-N 0 1 430.980 4.127 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2cc(Cl)nc3ncccc23)CC1 ZINC001165020520 721840262 /nfs/dbraw/zinc/84/02/62/721840262.db2.gz KGIUKFWNZZYAEK-UHFFFAOYSA-N 0 1 426.948 4.401 20 0 IIADMN COC(=O)c1ccc2c(ccnc2N(C)C2CCN(Cc3c(OC)cccc3OC)CC2)c1 ZINC001165021457 721840343 /nfs/dbraw/zinc/84/03/43/721840343.db2.gz NAOULGLEITUSEO-UHFFFAOYSA-N 0 1 449.551 4.139 20 0 IIADMN COC(=O)c1cccc2nc(N(C)C3CCN(Cc4c(OC)cccc4OC)CC3)ccc21 ZINC001165030366 721844237 /nfs/dbraw/zinc/84/42/37/721844237.db2.gz JTFYRBAJPCTMQU-UHFFFAOYSA-N 0 1 449.551 4.139 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4nnc(Cl)cc4-c4ccncc4)CC3)C2)cc1 ZINC001164940516 721921611 /nfs/dbraw/zinc/92/16/11/721921611.db2.gz SKRNTLSWDGVCLR-UHFFFAOYSA-N 0 1 449.986 4.372 20 0 IIADMN COC(=O)c1ccc2nc(N3CCC4(CC3)CN(Cc3ccc(C)cc3)CCO4)ccc2c1 ZINC001164938896 721924988 /nfs/dbraw/zinc/92/49/88/721924988.db2.gz AEECWFJWMZZAEX-UHFFFAOYSA-N 0 1 445.563 4.201 20 0 IIADMN COc1ccccc1-c1ccc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)nn1 ZINC001164940648 721931543 /nfs/dbraw/zinc/93/15/43/721931543.db2.gz VJLGSERIFXRVPN-UHFFFAOYSA-N 0 1 444.579 4.332 20 0 IIADMN COC(=O)c1cccc2nc(N3CCC4(CC3)CN(Cc3ccc(C)cc3)CCO4)ccc21 ZINC001164940178 721932581 /nfs/dbraw/zinc/93/25/81/721932581.db2.gz RFTWQBXAELVJHI-UHFFFAOYSA-N 0 1 445.563 4.201 20 0 IIADMN Cc1nc(Cn2c(=O)ccc3c2CCN(C(C)(C)c2ccnc(Cl)c2)CC3)cs1 ZINC001164952209 722007426 /nfs/dbraw/zinc/00/74/26/722007426.db2.gz LIHUDKAAPBYJGO-UHFFFAOYSA-N 0 1 428.989 4.046 20 0 IIADMN COc1cccc(-c2nc3ccccc3c(N3CCN(CCc4ccccn4)CC3)n2)c1 ZINC001165054763 722018818 /nfs/dbraw/zinc/01/88/18/722018818.db2.gz BOSOTERTKSVRRY-UHFFFAOYSA-N 0 1 425.536 4.065 20 0 IIADMN FC(F)c1nc2ccccc2c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164960727 722060512 /nfs/dbraw/zinc/06/05/12/722060512.db2.gz JMMBNTNNRSFESF-UHFFFAOYSA-N 0 1 439.510 4.081 20 0 IIADMN Cc1cc(-c2ccccc2F)nnc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164964256 722062057 /nfs/dbraw/zinc/06/20/57/722062057.db2.gz FQTUTXLBBHMNLB-UHFFFAOYSA-N 0 1 447.558 4.105 20 0 IIADMN Clc1ccc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c(Cl)nc2c1 ZINC001164975004 722110077 /nfs/dbraw/zinc/11/00/77/722110077.db2.gz JFBDYWWBKRNOLN-OXJNMPFZSA-N 0 1 444.366 4.059 20 0 IIADMN Clc1cccc2nc(Cl)c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc12 ZINC001164976168 722152472 /nfs/dbraw/zinc/15/24/72/722152472.db2.gz UNBRWQRFWIXNHC-QFBILLFUSA-N 0 1 444.366 4.059 20 0 IIADMN O=C(NCc1ccccc1)c1cccnc1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164994864 722193596 /nfs/dbraw/zinc/19/35/96/722193596.db2.gz QKKUOBLGFOAALT-HHHXNRCGSA-N 0 1 444.554 4.396 20 0 IIADMN Fc1cccc(CN2CC[C@@]23CCCN(c2nc(Cl)nc4c(Cl)ncnc42)C3)c1 ZINC001164994350 722211157 /nfs/dbraw/zinc/21/11/57/722211157.db2.gz AXEQBHVSQFNOCA-HXUWFJFHSA-N 0 1 433.318 4.111 20 0 IIADMN O=C([O-])[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 ZINC000780568760 939133126 /nfs/dbraw/zinc/13/31/26/939133126.db2.gz MXFLXCBXRNVNQH-IBGZPJMESA-N 0 1 436.339 4.083 20 0 IIADMN C[C@@H](CC(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC001123268184 939817995 /nfs/dbraw/zinc/81/79/95/939817995.db2.gz PVOBXBSPRVEXRN-SBUREZEXSA-N 0 1 448.485 4.435 20 0 IIADMN Cc1ccc(C[C@@H](CO)NCc2cc(Cl)ccc2I)cc1C ZINC001178868889 1126151335 /nfs/dbraw/zinc/15/13/35/1126151335.db2.gz YKUNENCYCGQRNN-KRWDZBQOSA-N 0 1 429.729 4.255 20 0 IIADMN Cc1ccc(C[C@H](CO)NCc2cc(Cl)ccc2I)cc1C ZINC001178868890 1126151344 /nfs/dbraw/zinc/15/13/44/1126151344.db2.gz YKUNENCYCGQRNN-QGZVFWFLSA-N 0 1 429.729 4.255 20 0 IIADMN C[C@@](CO)(Cc1ccc(Br)cc1)NCc1cnn(Cc2ccccc2)c1Cl ZINC001179277071 1126151561 /nfs/dbraw/zinc/15/15/61/1126151561.db2.gz ACRSKSXUGCWFCC-NRFANRHFSA-N 0 1 448.792 4.431 20 0 IIADMN COc1ccc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c(Br)c1OC ZINC001197284681 1126153844 /nfs/dbraw/zinc/15/38/44/1126153844.db2.gz KMZVWQSTSIXSST-KDOFPFPSSA-N 0 1 448.279 4.090 20 0 IIADMN COc1ccc(C[C@](C)(CO)NCc2ncc(-c3cccc(Br)c3)o2)cc1 ZINC001460858340 1126192378 /nfs/dbraw/zinc/19/23/78/1126192378.db2.gz LALCVXSQEKNJJA-OAQYLSRUSA-N 0 1 431.330 4.196 20 0 IIADMN C[C@](CO)(Cc1ccc(Cl)cc1)NCc1ncc(Br)cc1Br ZINC001474241229 1126203761 /nfs/dbraw/zinc/20/37/61/1126203761.db2.gz XGMPJLRXXSKOSL-MRXNPFEDSA-N 0 1 448.586 4.343 20 0 IIADMN COc1ccccc1C[C@](C)(CO)NCc1cc(Br)sc1Br ZINC001621023064 1126244974 /nfs/dbraw/zinc/24/49/74/1126244974.db2.gz VNNXGIMCIXJHBD-MRXNPFEDSA-N 0 1 449.208 4.365 20 0 IIADMN O[C@H](Cc1ccccc1)CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000022925311 563025837 /nfs/dbraw/zinc/02/58/37/563025837.db2.gz ZZHKHRXDQLQSFW-HHHXNRCGSA-N 0 1 430.592 4.014 20 0 IIADMN O=C(Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1NS(=O)(=O)c1ccccc1 ZINC000028870717 563067513 /nfs/dbraw/zinc/06/75/13/563067513.db2.gz MCVCEEQLMLYCDL-UHFFFAOYSA-N 0 1 430.869 4.122 20 0 IIADMN Cc1sc2nc(-c3ccc(OC(F)F)cc3)nc(N3C[C@@H]4OCCN(C)[C@H]4C3)c2c1C ZINC001164671633 719445783 /nfs/dbraw/zinc/44/57/83/719445783.db2.gz QNIYPCANORLKCE-IRXDYDNUSA-N 0 1 446.523 4.096 20 0 IIADMN COc1cc2ncc(N3CCC4(CCCN4Cc4csc(C)n4)CC3)nc2cc1OC ZINC001164694416 719807796 /nfs/dbraw/zinc/80/77/96/719807796.db2.gz XENZRFAQEUVUAJ-UHFFFAOYSA-N 0 1 439.585 4.047 20 0 IIADMN Fc1ccc2c(Cl)nnc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)c2c1 ZINC001164706737 719901438 /nfs/dbraw/zinc/90/14/38/719901438.db2.gz KAOAMEQTSIWWQA-UHFFFAOYSA-N 0 1 432.952 4.355 20 0 IIADMN CC[C@H](C)c1nc2[nH]ccc2c(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1 ZINC001164707484 719909424 /nfs/dbraw/zinc/90/94/24/719909424.db2.gz RFRINPDANRTNLS-KRWDZBQOSA-N 0 1 425.602 4.404 20 0 IIADMN COc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)cc1 ZINC001164729619 720478778 /nfs/dbraw/zinc/47/87/78/720478778.db2.gz SAIAXVPHNQNLFP-PMACEKPBSA-N 0 1 437.931 4.179 20 0 IIADMN FC(F)(c1cccc2ccnc(Cl)c21)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164727986 720570795 /nfs/dbraw/zinc/57/07/95/720570795.db2.gz GYCSHGVLXQNNIR-UHFFFAOYSA-N 0 1 431.918 4.288 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)[C@@H]2C ZINC001164862722 720992804 /nfs/dbraw/zinc/99/28/04/720992804.db2.gz UDXJQBDKIMZOLO-GFCCVEGCSA-N 0 1 433.334 4.032 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)Cc1nc(Cl)cc(Cl)n1)[C@H]2C ZINC001164862724 720994191 /nfs/dbraw/zinc/99/41/91/720994191.db2.gz UDXJQBDKIMZOLO-LBPRGKRZSA-N 0 1 433.334 4.032 20 0 IIADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4cccc5ccnc(Cl)c54)C[C@H]3C2)cn1 ZINC001164761647 721157116 /nfs/dbraw/zinc/15/71/16/721157116.db2.gz ABXQCZPRFOXSDD-ZWKOTPCHSA-N 0 1 431.918 4.125 20 0 IIADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nccc4c(Cl)ccnc43)C2)C1 ZINC001164776585 721338199 /nfs/dbraw/zinc/33/81/99/721338199.db2.gz GQDVQZNAYXBDIU-HSZRJFAPSA-N 0 1 441.963 4.007 20 0 IIADMN Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4nc(Cl)c5ccccc5n4)CCN3C2)c1 ZINC001164899751 721514439 /nfs/dbraw/zinc/51/44/39/721514439.db2.gz MIGLCSNNVRISQJ-DOTOQJQBSA-N 0 1 448.876 4.309 20 0 IIADMN COc1cccc2c(N3C[C@H](N(C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)cc(Cl)nc12 ZINC001164794552 721525877 /nfs/dbraw/zinc/52/58/77/721525877.db2.gz FSNQFHHNQRSFHK-WXVUKLJWSA-N 0 1 438.959 4.160 20 0 IIADMN COc1cnc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c2cc(Cl)ccc12 ZINC001164810501 721555245 /nfs/dbraw/zinc/55/52/45/721555245.db2.gz YNJWFHKOGZJWOL-GIWBLDEGSA-N 0 1 438.959 4.160 20 0 IIADMN Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)C4(c5ccnc(Cl)c5)CC4)CCN3C2)c1 ZINC001164908031 721566772 /nfs/dbraw/zinc/56/67/72/721566772.db2.gz PGXFYVMDMLLISZ-PKOBYXMFSA-N 0 1 437.893 4.336 20 0 IIADMN FC1(F)CCN(c2cc3nccc(Cl)c3cn2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164906246 721701116 /nfs/dbraw/zinc/70/11/16/721701116.db2.gz MPGYUOSLOWPPES-OAQYLSRUSA-N 0 1 429.902 4.416 20 0 IIADMN Fc1ccc(-c2ccc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)nn2)cc1 ZINC001164909062 721726886 /nfs/dbraw/zinc/72/68/86/721726886.db2.gz ALCULUUBDWEEMW-QHCPKHFHSA-N 0 1 439.485 4.415 20 0 IIADMN CCCSc1ncnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1OC ZINC001164913112 721737363 /nfs/dbraw/zinc/73/73/63/721737363.db2.gz SZTDITNSLADHGH-OAQYLSRUSA-N 0 1 449.571 4.120 20 0 IIADMN CN(C)c1cc(C(F)(F)N2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)nc(Cl)n1 ZINC001165015150 721768151 /nfs/dbraw/zinc/76/81/51/721768151.db2.gz MOLOMSZLLHABAQ-UHFFFAOYSA-N 0 1 444.873 4.252 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2nccc3c(Cl)ccnc32)CC1 ZINC001165022387 721838972 /nfs/dbraw/zinc/83/89/72/721838972.db2.gz RSSOKVHHXVROTE-UHFFFAOYSA-N 0 1 426.948 4.401 20 0 IIADMN CCc1nc(Cl)c(N(C)C2CCN(Cc3c(OC)cccc3OC)CC2)c(Cl)n1 ZINC001165021269 721843939 /nfs/dbraw/zinc/84/39/39/721843939.db2.gz KFBPLLNRFQEKEE-UHFFFAOYSA-N 0 1 439.387 4.464 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4nc(Cl)nc5[nH]cc(Cl)c54)CC3)C2)cc1 ZINC001164937615 721920195 /nfs/dbraw/zinc/92/01/95/721920195.db2.gz FHLGIVABSNKDMA-UHFFFAOYSA-N 0 1 446.382 4.445 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4nc(Cl)nc5c4COC5(C)C)CC3)C2)cc1 ZINC001164939772 721923650 /nfs/dbraw/zinc/92/36/50/721923650.db2.gz MYFRUQFSXNWABU-UHFFFAOYSA-N 0 1 442.991 4.075 20 0 IIADMN CCOC(=O)c1nc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)ccc1Cl ZINC001164940743 721929880 /nfs/dbraw/zinc/92/98/80/721929880.db2.gz ZTIICVGTIZRPIJ-UHFFFAOYSA-N 0 1 443.975 4.092 20 0 IIADMN COc1ccc(-c2ccc(N3CCC4(CC3)CN(Cc3ccc(C)cc3)CCO4)nn2)cc1 ZINC001164939627 721930654 /nfs/dbraw/zinc/93/06/54/721930654.db2.gz NIESGSGQMYIULS-UHFFFAOYSA-N 0 1 444.579 4.332 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4nc(-c5ccncc5)nc(C)c4C)CC3)C2)cc1 ZINC001164939094 721932172 /nfs/dbraw/zinc/93/21/72/721932172.db2.gz JAIXLXRCIXBVRX-UHFFFAOYSA-N 0 1 443.595 4.335 20 0 IIADMN O=C([O-])[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)C1CCCCC1 ZINC000780568763 939133067 /nfs/dbraw/zinc/13/30/67/939133067.db2.gz NDRZNDBPCSTSMY-IBGZPJMESA-N 0 1 442.387 4.291 20 0 IIADMN C[C@H](CC(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC001123268550 939817776 /nfs/dbraw/zinc/81/77/76/939817776.db2.gz SJAZQDPLGCANLM-UZUQRXQVSA-N 0 1 448.485 4.435 20 0 IIADMN Cc1ccc(-c2ncc(C(=O)N[C@@]3(C(=O)[O-])CCC[N@@H+](Cc4ccccc4)C3)s2)c(C)c1 ZINC001123372134 939821850 /nfs/dbraw/zinc/82/18/50/939821850.db2.gz JNBGWAPOOBMFPZ-VWLOTQADSA-N 0 1 449.576 4.276 20 0 IIADMN COc1cc(Br)c(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1OC ZINC000604766291 1126100020 /nfs/dbraw/zinc/10/00/20/1126100020.db2.gz YMSFKBHOSWKSEX-MAUKXSAKSA-N 0 1 448.279 4.090 20 0 IIADMN COc1ccccc1C[C@](C)(CO)NCc1cc(OC(F)F)ccc1Br ZINC001179278331 1126152099 /nfs/dbraw/zinc/15/20/99/1126152099.db2.gz UWSVNFRKPRFLCJ-LJQANCHMSA-N 0 1 430.289 4.142 20 0 IIADMN Cc1ccc(NC(=O)Cc2nc(CN[C@](C)(CO)Cc3ccc(Cl)cc3)cs2)cc1 ZINC001198231266 1126156186 /nfs/dbraw/zinc/15/61/86/1126156186.db2.gz UXGYXZFZHKMMLE-QHCPKHFHSA-N 0 1 444.000 4.369 20 0 IIADMN C[C@@](CO)(Cc1ccc(Cl)cc1)NCc1cccc(F)c1I ZINC001308495233 1126167354 /nfs/dbraw/zinc/16/73/54/1126167354.db2.gz VMWLOGQAACXUJK-KRWDZBQOSA-N 0 1 433.692 4.167 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cccc3c(Cl)ncnc31)[C@@H]2C ZINC001164857199 721007755 /nfs/dbraw/zinc/00/77/55/721007755.db2.gz DAASVDXJSXWOCI-CQSZACIVSA-N 0 1 434.922 4.446 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(c1cncc(OCc3cccc(Cl)c3)n1)[C@H]2C ZINC001164857298 721018330 /nfs/dbraw/zinc/01/83/30/721018330.db2.gz CLUMZGNHSUZNDU-KRWDZBQOSA-N 0 1 440.979 4.327 20 0 IIADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ccc4cc(Cl)cnc4n3)C2)C1 ZINC001164779053 721347584 /nfs/dbraw/zinc/34/75/84/721347584.db2.gz PTARPNJQSQNTRU-QHCPKHFHSA-N 0 1 441.963 4.007 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc3nc(Cl)cnc3cc2Cl)[C@@H]2CCCO[C@@H]12 ZINC001164807159 721548646 /nfs/dbraw/zinc/54/86/46/721548646.db2.gz PQQJIFPSVQMGLZ-SYYKKAFVSA-N 0 1 444.366 4.200 20 0 IIADMN Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4cccc5c(Cl)ncnc54)CCN3C2)c1 ZINC001164911874 721556785 /nfs/dbraw/zinc/55/67/85/721556785.db2.gz ZSBQVZRZIJGPES-DOTOQJQBSA-N 0 1 448.876 4.309 20 0 IIADMN CC(C)(C)OC(=O)c1ccnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164905623 721587470 /nfs/dbraw/zinc/58/74/70/721587470.db2.gz KGLIZPQLPNQUFB-QHCPKHFHSA-N 0 1 444.526 4.170 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2nccc3cc(F)c(Cl)cc32)[C@@H]2CCCO[C@@H]12 ZINC001164811310 721587756 /nfs/dbraw/zinc/58/77/56/721587756.db2.gz XFPJRMQJIABWEB-YPAWHYETSA-N 0 1 426.923 4.291 20 0 IIADMN CCc1c(Cl)nnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1CC ZINC001164908070 721707092 /nfs/dbraw/zinc/70/70/92/721707092.db2.gz UZISBCAGUJKVGF-NRFANRHFSA-N 0 1 435.950 4.388 20 0 IIADMN Cc1cc(C(F)(F)N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c(Cl)nn1 ZINC001164912960 721725256 /nfs/dbraw/zinc/72/52/56/721725256.db2.gz RUTHTZZTEBQCTI-GOSISDBHSA-N 0 1 443.876 4.116 20 0 IIADMN FC1(F)CCN(c2cncc(OCC3CCCC3)n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164912881 721735569 /nfs/dbraw/zinc/73/55/69/721735569.db2.gz QVLOGUIFXWBBMV-QHCPKHFHSA-N 0 1 443.542 4.178 20 0 IIADMN COc1cc(C(F)(F)N2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)nc(Cl)n1 ZINC001165015607 721768119 /nfs/dbraw/zinc/76/81/19/721768119.db2.gz SLQUVCRIRSOMEH-UHFFFAOYSA-N 0 1 431.830 4.195 20 0 IIADMN CCOC(=O)c1cc(Cl)nc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)c1 ZINC001164937960 721920117 /nfs/dbraw/zinc/92/01/17/721920117.db2.gz IJCBPOKGRLSBGP-UHFFFAOYSA-N 0 1 443.975 4.092 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(C(F)(F)c4nc(C)cc(Cl)n4)CC3)C2)cc1 ZINC001164937295 721921204 /nfs/dbraw/zinc/92/12/04/721921204.db2.gz BCEUADVEWBHBJB-UHFFFAOYSA-N 0 1 436.934 4.163 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4ccc(-c5cccc(F)c5)nn4)CC3)C2)cc1 ZINC001164939403 721931859 /nfs/dbraw/zinc/93/18/59/721931859.db2.gz KIKBMTXCIOJTCQ-UHFFFAOYSA-N 0 1 432.543 4.463 20 0 IIADMN C[C@H]1CCCN(C(=O)c2ccc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)nc2)C1 ZINC001164995940 722207855 /nfs/dbraw/zinc/20/78/55/722207855.db2.gz QEPMOLQBYVHOHS-RXFWQSSRSA-N 0 1 436.575 4.338 20 0 IIADMN C[C@H](CC(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC001123268185 939817924 /nfs/dbraw/zinc/81/79/24/939817924.db2.gz PVOBXBSPRVEXRN-UZUQRXQVSA-N 0 1 448.485 4.435 20 0 IIADMN COc1ccc(Br)cc1-c1nc(CNC2(CO)Cc3ccccc3C2)cs1 ZINC000581283530 1126098450 /nfs/dbraw/zinc/09/84/50/1126098450.db2.gz SFAODFIKBPTAAU-UHFFFAOYSA-N 0 1 445.382 4.201 20 0 IIADMN C[C@](CO)(Cc1ccccc1F)NCc1cc(Br)sc1Br ZINC001308479460 1126166507 /nfs/dbraw/zinc/16/65/07/1126166507.db2.gz JVWNVVGYGBXNFP-OAHLLOKOSA-N 0 1 437.172 4.496 20 0 IIADMN C[C@@](CO)(Cc1ccc(Cl)cc1)NCc1ncc(Br)cc1Br ZINC001474241228 1126203759 /nfs/dbraw/zinc/20/37/59/1126203759.db2.gz XGMPJLRXXSKOSL-INIZCTEOSA-N 0 1 448.586 4.343 20 0 IIADMN O[C@@H](COc1ccc(F)cc1)CN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000043080307 563118569 /nfs/dbraw/zinc/11/85/69/563118569.db2.gz DFLZWXVATHYHLB-MRXNPFEDSA-N 0 1 447.856 4.221 20 0 IIADMN CCc1cc2c(nc(Cl)nc2N2CCC3(CC2)CN(Cc2cccs2)CCO3)[nH]1 ZINC001164699238 719897228 /nfs/dbraw/zinc/89/72/28/719897228.db2.gz XZMGBAUNPAAXSC-UHFFFAOYSA-N 0 1 431.993 4.107 20 0 IIADMN Fc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)cc1 ZINC001164726888 720444052 /nfs/dbraw/zinc/44/40/52/720444052.db2.gz CGFFSTSJMBTVGM-MOPGFXCFSA-N 0 1 425.895 4.310 20 0 IIADMN Fc1ccc(-c2nc3ccccc3c(N3CCc4ncc(CN5CCCC5)n4CC3)n2)cc1 ZINC001164736722 720582288 /nfs/dbraw/zinc/58/22/88/720582288.db2.gz RTLCKLKBICSIES-UHFFFAOYSA-N 0 1 442.542 4.291 20 0 IIADMN Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164744979 720594317 /nfs/dbraw/zinc/59/43/17/720594317.db2.gz SWHSCJUOSUIGKW-UHFFFAOYSA-N 0 1 431.918 4.330 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(-c3ccccn3)nc3ccccc31)[C@@H]2C ZINC001164857976 721002084 /nfs/dbraw/zinc/00/20/84/721002084.db2.gz FLZMXCSTUHRZPQ-GOSISDBHSA-N 0 1 427.556 4.310 20 0 IIADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4ccc5ccnc(Cl)c5c4)C[C@@H]3C2)cn1 ZINC001164768136 721113404 /nfs/dbraw/zinc/11/34/04/721113404.db2.gz NJLUAEQGXWOLKD-ROUUACIJSA-N 0 1 431.918 4.125 20 0 IIADMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4ccc5ccc(Cl)nc5c4)C[C@H]3C2)cn1 ZINC001164772227 721113521 /nfs/dbraw/zinc/11/35/21/721113521.db2.gz UNAVBKOTMZRMGA-QZTJIDSGSA-N 0 1 431.918 4.125 20 0 IIADMN FC(F)(c1cccc2c(Cl)nccc21)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866709 721118304 /nfs/dbraw/zinc/11/83/04/721118304.db2.gz USRJRDLEHSLTKY-ZWKOTPCHSA-N 0 1 444.913 4.308 20 0 IIADMN FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868856 721194430 /nfs/dbraw/zinc/19/44/30/721194430.db2.gz OGEYTZZPBZCJCY-RBUKOAKNSA-N 0 1 434.918 4.032 20 0 IIADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4cc(Cl)nc5c4CCCCC5)C[C@@H]3C2)cn1 ZINC001164759445 721249050 /nfs/dbraw/zinc/24/90/50/721249050.db2.gz AJGPTADYBIQKNA-ROUUACIJSA-N 0 1 449.977 4.241 20 0 IIADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nnc(Cl)c4ccccc43)C2)C1 ZINC001164776991 721338574 /nfs/dbraw/zinc/33/85/74/721338574.db2.gz JKPGZPSRHQYRQK-HSZRJFAPSA-N 0 1 441.963 4.007 20 0 IIADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nnc(Cl)c4ccsc43)C2)C1 ZINC001164776748 721342046 /nfs/dbraw/zinc/34/20/46/721342046.db2.gz CMDRTQKGXLVTCD-OAQYLSRUSA-N 0 1 447.992 4.069 20 0 IIADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nncc4cc(Cl)ccc43)C2)C1 ZINC001164777366 721352179 /nfs/dbraw/zinc/35/21/79/721352179.db2.gz GLSYZJWUTKHVIE-HSZRJFAPSA-N 0 1 441.963 4.007 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccnc(Cl)c3)ccn2)[C@H]2CCCO[C@H]12 ZINC001164808938 721539941 /nfs/dbraw/zinc/53/99/41/721539941.db2.gz SNJNKXIAODVESJ-IMSXRSKXSA-N 0 1 435.959 4.060 20 0 IIADMN Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4ccc5cnc(Cl)nc5c4)CCN3C2)c1 ZINC001164907137 721541430 /nfs/dbraw/zinc/54/14/30/721541430.db2.gz MGHPCJDWMMWTOT-HKUYNNGSSA-N 0 1 448.876 4.309 20 0 IIADMN FC(F)(c1ccc(Cl)nc1)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906148 721582583 /nfs/dbraw/zinc/58/25/83/721582583.db2.gz ZDDKLSTWJIYUOK-GOSISDBHSA-N 0 1 428.861 4.413 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2ccc3c(Cl)ccc(F)c3n2)[C@H]2CCCO[C@@H]12 ZINC001164800077 721588848 /nfs/dbraw/zinc/58/88/48/721588848.db2.gz BNZHWPOKHKHLSI-MIZPHKNDSA-N 0 1 426.923 4.291 20 0 IIADMN Cc1cc(C(F)(F)N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc(Cl)n1 ZINC001164907854 721698483 /nfs/dbraw/zinc/69/84/83/721698483.db2.gz VFQANNBRMCEYKC-GOSISDBHSA-N 0 1 443.876 4.116 20 0 IIADMN Fc1ccc(-c2ccnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)n2)cc1 ZINC001164903555 721701910 /nfs/dbraw/zinc/70/19/10/721701910.db2.gz ABSLHCXUDVIXCA-HSZRJFAPSA-N 0 1 439.485 4.415 20 0 IIADMN FC1(F)CCN(c2nccnc2Oc2ccccc2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164911234 721732046 /nfs/dbraw/zinc/73/20/46/721732046.db2.gz JAUVTWQIRZFRPU-QHCPKHFHSA-N 0 1 437.494 4.402 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2cnc3ccc(Cl)cc3n2)CC1 ZINC001165021335 721840272 /nfs/dbraw/zinc/84/02/72/721840272.db2.gz LOBFDPLNXSXVFH-UHFFFAOYSA-N 0 1 426.948 4.401 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncnc3[nH]c4ccccc4c32)CC1 ZINC001165022016 721841500 /nfs/dbraw/zinc/84/15/00/721841500.db2.gz MQCCANITLFUVBR-UHFFFAOYSA-N 0 1 431.540 4.229 20 0 IIADMN COc1ccc2nc(N(C)C3CCN(Cc4c(OC)cccc4OC)CC3)nc(C)c2c1 ZINC001165023266 721841896 /nfs/dbraw/zinc/84/18/96/721841896.db2.gz ZOUWQTBRVGXSMK-UHFFFAOYSA-N 0 1 436.556 4.065 20 0 IIADMN CCc1cc2c(nc(Cl)nc2N(C)C2CCN(Cc3c(OC)cccc3OC)CC2)[nH]1 ZINC001165021224 721842965 /nfs/dbraw/zinc/84/29/65/721842965.db2.gz IKCWBXYNBNZMID-UHFFFAOYSA-N 0 1 443.979 4.292 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2nc(C(C)(C)C)nc3[nH]ccc32)CC1 ZINC001165023397 721843100 /nfs/dbraw/zinc/84/31/00/721843100.db2.gz ZPZDRBKQVCDQMN-UHFFFAOYSA-N 0 1 437.588 4.373 20 0 IIADMN CCOC(=O)c1cc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)ncc1Cl ZINC001164938390 721922244 /nfs/dbraw/zinc/92/22/44/721922244.db2.gz NBJUTHMORIFHBY-UHFFFAOYSA-N 0 1 443.975 4.092 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4nc(-c5ccccn5)nc(C)c4C)CC3)C2)cc1 ZINC001164939192 721932800 /nfs/dbraw/zinc/93/28/00/721932800.db2.gz KHCYCILNDCPENZ-UHFFFAOYSA-N 0 1 443.595 4.335 20 0 IIADMN CSc1cc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)nc(SC)n1 ZINC001164939788 721933160 /nfs/dbraw/zinc/93/31/60/721933160.db2.gz BDAHZLUQFKVLGL-UHFFFAOYSA-N 0 1 430.643 4.100 20 0 IIADMN O=C([O-])[C@H](NC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 ZINC000780568761 939133061 /nfs/dbraw/zinc/13/30/61/939133061.db2.gz MXFLXCBXRNVNQH-LJQANCHMSA-N 0 1 436.339 4.083 20 0 IIADMN C[N@H+]1CCC[C@@H](CNC(=O)N[C@H](C(=O)[O-])c2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000780576636 939137062 /nfs/dbraw/zinc/13/70/62/939137062.db2.gz BTKJTQWZKAXGTR-IHPCNDPISA-N 0 1 449.473 4.213 20 0 IIADMN O=C([O-])[C@@]1(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001123372266 939822330 /nfs/dbraw/zinc/82/23/30/939822330.db2.gz KIRUMNKKCGKEDR-ZRCGQRJVSA-N 0 1 447.362 4.333 20 0 IIADMN Cc1nc(CN[C@@](C)(CO)Cc2ccc(Br)cc2)sc1Br ZINC001198220173 1126155284 /nfs/dbraw/zinc/15/52/84/1126155284.db2.gz YWOGQZLGMVEHTD-OAHLLOKOSA-N 0 1 434.197 4.060 20 0 IIADMN C[C@](CO)(Cc1ccc(Cl)cc1)NCc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC001308117411 1126163415 /nfs/dbraw/zinc/16/34/15/1126163415.db2.gz JDCRXPPYVUKNQO-LJQANCHMSA-N 0 1 425.838 4.091 20 0 IIADMN CCOc1cc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)ccc1OC(=O)CC ZINC001308263547 1126164695 /nfs/dbraw/zinc/16/46/95/1126164695.db2.gz DUWLEIBQHMQLHY-UWJYYQICSA-N 0 1 425.447 4.025 20 0 IIADMN COc1ccc(OCc2nc(CN[C@@](C)(CO)Cc3ccc(Cl)cc3)cs2)cc1 ZINC001308494401 1126167352 /nfs/dbraw/zinc/16/73/52/1126167352.db2.gz JBNXGPURFGFXEI-JOCHJYFZSA-N 0 1 432.973 4.467 20 0 IIADMN O[C@H]([C@@H](Cc1ccccc1)NCc1ccc(OCc2ccccc2F)nc1)C(F)(F)F ZINC001460688713 1126191389 /nfs/dbraw/zinc/19/13/89/1126191389.db2.gz FUNRUCSNXZIBOT-IFMALSPDSA-N 0 1 434.433 4.424 20 0 IIADMN COc1ccccc1C[C@@](C)(CO)NCc1cc(Br)sc1Br ZINC001621023063 1126244944 /nfs/dbraw/zinc/24/49/44/1126244944.db2.gz VNNXGIMCIXJHBD-INIZCTEOSA-N 0 1 449.208 4.365 20 0 IIADMN O[C@H](COc1ccc(F)cc1)CN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000043080310 563118554 /nfs/dbraw/zinc/11/85/54/563118554.db2.gz DFLZWXVATHYHLB-INIZCTEOSA-N 0 1 447.856 4.221 20 0 IIADMN Cc1nc(CN2CCCC23CCN(c2cc(OCc4ccccc4)cnn2)CC3)cs1 ZINC001164694506 719810162 /nfs/dbraw/zinc/81/01/62/719810162.db2.gz ZECSACDUQCUGHI-UHFFFAOYSA-N 0 1 435.597 4.456 20 0 IIADMN COc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c1 ZINC001164729540 720479516 /nfs/dbraw/zinc/47/95/16/720479516.db2.gz RNQFBVZYBQCOCV-PMACEKPBSA-N 0 1 437.931 4.179 20 0 IIADMN Clc1cc(OCc2ccccc2)cnc1N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164736826 720575426 /nfs/dbraw/zinc/57/54/26/720575426.db2.gz UYWDFLNRARSRBX-UHFFFAOYSA-N 0 1 437.975 4.169 20 0 IIADMN CC(C)(c1ccnc(Cl)c1)N1CCc2nc(C(=O)NCc3ccccc3)sc2CC1 ZINC001164842943 720747415 /nfs/dbraw/zinc/74/74/15/720747415.db2.gz GIGSALPUTVJUNS-UHFFFAOYSA-N 0 1 441.000 4.457 20 0 IIADMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4cc(Cl)nc5c4CCCCC5)C[C@H]3C2)cn1 ZINC001164759444 721249843 /nfs/dbraw/zinc/24/98/43/721249843.db2.gz AJGPTADYBIQKNA-QZTJIDSGSA-N 0 1 449.977 4.241 20 0 IIADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3csc4ncnc(Cl)c34)C2)C1 ZINC001164778719 721345367 /nfs/dbraw/zinc/34/53/67/721345367.db2.gz OFBZAVPXBZICCB-OAQYLSRUSA-N 0 1 447.992 4.069 20 0 IIADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc5c(Cl)ccc(Cl)c5n4)C3)O2)CC1 ZINC001164897890 721446767 /nfs/dbraw/zinc/44/67/67/721446767.db2.gz VBTFDYUNFDFJAL-SBUREZEXSA-N 0 1 449.426 4.307 20 0 IIADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc5c(Cl)ccc(Cl)c5n4)C3)O2)CC1 ZINC001164897884 721446842 /nfs/dbraw/zinc/44/68/42/721446842.db2.gz VBTFDYUNFDFJAL-HXOBKFHXSA-N 0 1 449.426 4.307 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3cc(F)ccc32)[C@@H]2CCCO[C@H]12 ZINC001164796522 721525137 /nfs/dbraw/zinc/52/51/37/721525137.db2.gz ZKIMPZFUSZKBEW-SJBKTWHCSA-N 0 1 426.923 4.291 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3ccc(F)cc32)[C@H]2CCCO[C@@H]12 ZINC001164808936 721541341 /nfs/dbraw/zinc/54/13/41/721541341.db2.gz SMPISOXJTQOLAA-XKCSPQBFSA-N 0 1 426.923 4.291 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3ccc(F)cc32)[C@@H]2CCCO[C@@H]12 ZINC001164808930 721541707 /nfs/dbraw/zinc/54/17/07/721541707.db2.gz SMPISOXJTQOLAA-KJXAQDMKSA-N 0 1 426.923 4.291 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3ccc(F)cc32)[C@@H]2CCCO[C@@H]12 ZINC001164800668 721541937 /nfs/dbraw/zinc/54/19/37/721541937.db2.gz DCKKEDVAXWNXAQ-KCZVDYSFSA-N 0 1 426.923 4.291 20 0 IIADMN FC1(F)CCN(c2cnc3ccc(Cl)cc3n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164905445 721700742 /nfs/dbraw/zinc/70/07/42/721700742.db2.gz JICYZCWXIVJGPQ-NRFANRHFSA-N 0 1 429.902 4.416 20 0 IIADMN FC(F)(Oc1ccnc(Cl)c1)N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164910575 721735967 /nfs/dbraw/zinc/73/59/67/721735967.db2.gz GLTODQAKQVLDBZ-SFHVURJKSA-N 0 1 444.860 4.292 20 0 IIADMN CCc1cc2c(ncnc2N(C)C2CCN(Cc3c(OC)cccc3OC)CC2)s1 ZINC001165019247 721840943 /nfs/dbraw/zinc/84/09/43/721840943.db2.gz BLDSODCOSHQPNZ-UHFFFAOYSA-N 0 1 426.586 4.372 20 0 IIADMN COc1ccc(-c2ccc(N(C)C3CCN(Cc4c(OC)cccc4OC)CC3)nn2)cc1 ZINC001165020533 721843455 /nfs/dbraw/zinc/84/34/55/721843455.db2.gz FMNBOUJJQMCUIS-UHFFFAOYSA-N 0 1 448.567 4.270 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4nc(Cl)nc(-c5ccccc5)n4)CC3)C2)cc1 ZINC001164939342 721924336 /nfs/dbraw/zinc/92/43/36/721924336.db2.gz JHBXDZWUIQNPHH-UHFFFAOYSA-N 0 1 449.986 4.372 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4ccc(C(=O)OC(C)(C)C)cn4)CC3)C2)cc1 ZINC001164940533 721926085 /nfs/dbraw/zinc/92/60/85/721926085.db2.gz SSNIZWDBLOLQOE-UHFFFAOYSA-N 0 1 437.584 4.217 20 0 IIADMN COC(=O)c1cc2ccccc2c(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)n1 ZINC001164939673 721931103 /nfs/dbraw/zinc/93/11/03/721931103.db2.gz NZCDZHXLKWCUPZ-UHFFFAOYSA-N 0 1 445.563 4.201 20 0 IIADMN COc1ccc2nc(N3CCC4(CC3)CN(Cc3ccc(C)cc3)CCO4)c(C)nc2c1 ZINC001164938613 721931853 /nfs/dbraw/zinc/93/18/53/721931853.db2.gz ASFRLWVFQGVUDZ-UHFFFAOYSA-N 0 1 432.568 4.127 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4nc5c(nc4Cl)CCCC5)CC3)C2)cc1 ZINC001164939710 721933571 /nfs/dbraw/zinc/93/35/71/721933571.db2.gz AGHNSDRKVKQGDN-UHFFFAOYSA-N 0 1 426.992 4.189 20 0 IIADMN Fc1ccc2nc(-c3ccccc3F)nc(N3CCN(CCc4ccccn4)CC3)c2c1 ZINC001165053398 722010694 /nfs/dbraw/zinc/01/06/94/722010694.db2.gz FLOAPGTUAYHKDM-UHFFFAOYSA-N 0 1 431.490 4.335 20 0 IIADMN Clc1ccccc1-c1ccc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nn1 ZINC001164960003 722057941 /nfs/dbraw/zinc/05/79/41/722057941.db2.gz CJAYLRAYQHFBHQ-UHFFFAOYSA-N 0 1 449.986 4.311 20 0 IIADMN CCc1ccc(-c2ccc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)nn2)cc1 ZINC001164961579 722060944 /nfs/dbraw/zinc/06/09/44/722060944.db2.gz MBEAAAGIGKFZPR-UHFFFAOYSA-N 0 1 443.595 4.220 20 0 IIADMN CC(C)n1cnc2c1nc(Cl)nc2N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164995180 722205534 /nfs/dbraw/zinc/20/55/34/722205534.db2.gz LLOKRNOLCYVLTN-JOCHJYFZSA-N 0 1 428.943 4.445 20 0 IIADMN COc1cc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c(F)cc1Br ZINC001177822932 1126150563 /nfs/dbraw/zinc/15/05/63/1126150563.db2.gz PPXOXEGSUSNUBX-WBVHZDCISA-N 0 1 436.243 4.221 20 0 IIADMN Cc1nc(CN[C@](C)(CO)Cc2ccc(Br)cc2)sc1Br ZINC001198220172 1126155262 /nfs/dbraw/zinc/15/52/62/1126155262.db2.gz YWOGQZLGMVEHTD-HNNXBMFYSA-N 0 1 434.197 4.060 20 0 IIADMN C[C@](CO)(Cc1ccc(Cl)cc1)NCc1cccc(F)c1I ZINC001308495234 1126167328 /nfs/dbraw/zinc/16/73/28/1126167328.db2.gz VMWLOGQAACXUJK-QGZVFWFLSA-N 0 1 433.692 4.167 20 0 IIADMN O[C@H]([C@H](Cc1ccccc1)NCc1ccc(OCc2ccccc2F)nc1)C(F)(F)F ZINC001460688723 1126191407 /nfs/dbraw/zinc/19/14/07/1126191407.db2.gz FUNRUCSNXZIBOT-RBBKRZOGSA-N 0 1 434.433 4.424 20 0 IIADMN COC(=O)c1ccc(-c2nc(CN[C@](C)(CO)Cc3ccc(Cl)cc3)cs2)cc1 ZINC001620624601 1126241794 /nfs/dbraw/zinc/24/17/94/1126241794.db2.gz AKXNVDSUWMTZPL-QFIPXVFZSA-N 0 1 430.957 4.333 20 0 IIADMN OC[C@@]1(NCc2coc(-c3ccc(F)c(F)c3)n2)CCc2cc(Br)ccc2C1 ZINC001620419432 1126240390 /nfs/dbraw/zinc/24/03/90/1126240390.db2.gz XKLNDFMTYUVTJF-OAQYLSRUSA-N 0 1 449.295 4.392 20 0 IIADMN C[C@](CO)(Cc1ccc(Br)cc1)NCc1cc(F)ccc1Br ZINC001620624374 1126241686 /nfs/dbraw/zinc/24/16/86/1126241686.db2.gz VQTVWVMUAVEBFS-QGZVFWFLSA-N 0 1 431.143 4.434 20 0 IIADMN COC(=O)c1cc(Cl)c(N2CCC3(CCCN3Cc3csc(C)n3)CC2)nc1C ZINC001164701934 719816302 /nfs/dbraw/zinc/81/63/02/719816302.db2.gz PWFUMIJJYSLAQO-UHFFFAOYSA-N 0 1 434.993 4.230 20 0 IIADMN Clc1c[nH]c2nc(Cl)nc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)c12 ZINC001164702234 719886011 /nfs/dbraw/zinc/88/60/11/719886011.db2.gz PIKZJHJNBZIJSB-UHFFFAOYSA-N 0 1 438.384 4.198 20 0 IIADMN Clc1nc2c(c(N3CCC4(CC3)CN(Cc3cccs3)CCO4)n1)CCCCC2 ZINC001164694877 719891449 /nfs/dbraw/zinc/89/14/49/719891449.db2.gz GLRKPUDJCSLOOI-UHFFFAOYSA-N 0 1 433.021 4.332 20 0 IIADMN Fc1ccc(Cl)nc1C(F)(F)N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164694597 719892353 /nfs/dbraw/zinc/89/23/53/719892353.db2.gz AOMVZZYEELYSKZ-UHFFFAOYSA-N 0 1 431.911 4.352 20 0 IIADMN CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1 ZINC001164707485 719908971 /nfs/dbraw/zinc/90/89/71/719908971.db2.gz RFRINPDANRTNLS-QGZVFWFLSA-N 0 1 425.602 4.404 20 0 IIADMN O=C1CC[C@@H]2[C@@H](CCN2c2ccc3c(n2)CCN(Cc2ccccc2)C3)N1c1ccccc1 ZINC001164844790 720762351 /nfs/dbraw/zinc/76/23/51/720762351.db2.gz CZAFQADCCDOMMB-CLJLJLNGSA-N 0 1 438.575 4.414 20 0 IIADMN O=C1CC[C@H]2[C@@H](CCN2c2ccc3c(n2)CCN(Cc2ccccc2)C3)N1c1ccccc1 ZINC001164844800 720762899 /nfs/dbraw/zinc/76/28/99/720762899.db2.gz CZAFQADCCDOMMB-IZZNHLLZSA-N 0 1 438.575 4.414 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(-c3cccnc3)nc3ccccc31)[C@H]2C ZINC001164859661 721001962 /nfs/dbraw/zinc/00/19/62/721001962.db2.gz KYACPZIVWUTOCT-SFHVURJKSA-N 0 1 427.556 4.310 20 0 IIADMN Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4ccc5c(Cl)ncnc5c4)CCN3C2)c1 ZINC001164900807 721518729 /nfs/dbraw/zinc/51/87/29/721518729.db2.gz UXVMQEMOBGIORU-FUHWJXTLSA-N 0 1 448.876 4.309 20 0 IIADMN Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4cc(C5CC5)nnc4Cl)CCN3C2)c1 ZINC001164909172 721555088 /nfs/dbraw/zinc/55/50/88/721555088.db2.gz SHJXZPOTTVHNEB-RDJZCZTQSA-N 0 1 438.881 4.033 20 0 IIADMN COc1ccc2c(cc(Cl)nc2N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164805839 721567512 /nfs/dbraw/zinc/56/75/12/721567512.db2.gz PCGKNDJLVYRFKR-GIWBLDEGSA-N 0 1 438.959 4.160 20 0 IIADMN Cc1nc(-c2ccccc2)nc(Cl)c1N1C[C@H](N(C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164800191 721581779 /nfs/dbraw/zinc/58/17/79/721581779.db2.gz CKSSDZCCHJXQCV-FUPPJEDESA-N 0 1 449.986 4.369 20 0 IIADMN FC(F)(c1cccnc1Cl)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164903416 721584126 /nfs/dbraw/zinc/58/41/26/721584126.db2.gz NEOXTPZPMWKXSK-GOSISDBHSA-N 0 1 428.861 4.413 20 0 IIADMN CC[C@H](C)c1nc(Cl)c(C)c(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164808326 721588088 /nfs/dbraw/zinc/58/80/88/721588088.db2.gz QOTNQMHMGURCHE-MVJPYGJCSA-N 0 1 429.996 4.215 20 0 IIADMN COc1cc2cnc(Cl)cc2cc1N1C[C@H](N(C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164799993 721592217 /nfs/dbraw/zinc/59/22/17/721592217.db2.gz BBKZOMKWCABDPK-ZCVJKFOLSA-N 0 1 438.959 4.160 20 0 IIADMN FC1(F)CCN(c2cnc3cc(Cl)ccc3n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164905663 721698427 /nfs/dbraw/zinc/69/84/27/721698427.db2.gz KJNDAJPGCMWVLI-NRFANRHFSA-N 0 1 429.902 4.416 20 0 IIADMN Fc1ccc(-c2ccc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)nn2)cc1 ZINC001164909061 721726571 /nfs/dbraw/zinc/72/65/71/721726571.db2.gz ALCULUUBDWEEMW-HSZRJFAPSA-N 0 1 439.485 4.415 20 0 IIADMN Cc1ccc(-c2csc3ncnc(N4CCCC45CCN(CC(=O)N(C)C)CC5)c23)cc1 ZINC001165011559 721735800 /nfs/dbraw/zinc/73/58/00/721735800.db2.gz QLIJFXUNTNPPSA-UHFFFAOYSA-N 0 1 449.624 4.190 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2nncc3cc(Cl)ccc32)CC1 ZINC001165020543 721841231 /nfs/dbraw/zinc/84/12/31/721841231.db2.gz FSVVTOWOJLCRBH-UHFFFAOYSA-N 0 1 426.948 4.401 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2nc(-c3ccccn3)nc(C)c2C)CC1 ZINC001165030945 721844389 /nfs/dbraw/zinc/84/43/89/721844389.db2.gz MSRVMTGJSTWJPS-UHFFFAOYSA-N 0 1 447.583 4.273 20 0 IIADMN Cc1c[nH]c2nc(Cl)nc(N3CCC4(CC3)CN(Cc3ccc(C)cc3)CCO4)c12 ZINC001164940526 721924266 /nfs/dbraw/zinc/92/42/66/721924266.db2.gz SOBIENXZIVPUQI-UHFFFAOYSA-N 0 1 425.964 4.100 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4nccc(OCc5ccccc5)n4)CC3)C2)cc1 ZINC001164939360 721925963 /nfs/dbraw/zinc/92/59/63/721925963.db2.gz JYYVSERBHRLXFL-UHFFFAOYSA-N 0 1 444.579 4.235 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4cnc(OCc5ccccc5)cn4)CC3)C2)cc1 ZINC001164938627 721929055 /nfs/dbraw/zinc/92/90/55/721929055.db2.gz BVFFOQWLIRDMAC-UHFFFAOYSA-N 0 1 444.579 4.235 20 0 IIADMN Cc1sc2nc(-c3cccnc3)nc(N3CCN(CCc4ccccn4)CC3)c2c1C ZINC001165054920 722017107 /nfs/dbraw/zinc/01/71/07/722017107.db2.gz JUPUXPBSNRHXAA-UHFFFAOYSA-N 0 1 430.581 4.130 20 0 IIADMN Clc1ncc(-c2ccccc2)c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164964027 722056266 /nfs/dbraw/zinc/05/62/66/722056266.db2.gz QYOPJAJFLOQUNS-UHFFFAOYSA-N 0 1 449.986 4.311 20 0 IIADMN Clc1cccc2nc(Cl)c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc12 ZINC001164976164 722152843 /nfs/dbraw/zinc/15/28/43/722152843.db2.gz UNBRWQRFWIXNHC-APWZRJJASA-N 0 1 444.366 4.059 20 0 IIADMN O=C(NCc1ccccc1)c1cccnc1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164994867 722193795 /nfs/dbraw/zinc/19/37/95/722193795.db2.gz QKKUOBLGFOAALT-MHZLTWQESA-N 0 1 444.554 4.396 20 0 IIADMN CCOC(=O)c1cnc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)cc1OCC ZINC001164995474 722199277 /nfs/dbraw/zinc/19/92/77/722199277.db2.gz VCIRFIJRTQEFCX-XMMPIXPASA-N 0 1 427.520 4.041 20 0 IIADMN O=C([O-])C1(NC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CCCCC1 ZINC000780568511 939133400 /nfs/dbraw/zinc/13/34/00/939133400.db2.gz LZOCKXBXMXELPQ-UHFFFAOYSA-N 0 1 428.360 4.045 20 0 IIADMN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001123267480 939817141 /nfs/dbraw/zinc/81/71/41/939817141.db2.gz IHUNOEGFCQYIPW-FQRUVTKNSA-N 0 1 438.568 4.121 20 0 IIADMN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001123372514 939822671 /nfs/dbraw/zinc/82/26/71/939822671.db2.gz OKMOLULGWVRNEG-HXOBKFHXSA-N 0 1 448.485 4.120 20 0 IIADMN OC[C@H](Cc1ccccc1)NCc1c(Br)cc(F)c(F)c1N1CCCCC1 ZINC001474453830 1126204797 /nfs/dbraw/zinc/20/47/97/1126204797.db2.gz WKZHKTWWBDSRQJ-INIZCTEOSA-N 0 1 439.344 4.411 20 0 IIADMN COc1ccccc1-c1nc(CN[C@]2(CO)CCc3cc(Br)ccc3C2)co1 ZINC001559997661 1126206995 /nfs/dbraw/zinc/20/69/95/1126206995.db2.gz BIACIIQMQHDCMR-JOCHJYFZSA-N 0 1 443.341 4.122 20 0 IIADMN COC(=O)c1ccc(-c2nc(CN[C@@](C)(CO)Cc3ccc(Cl)cc3)cs2)cc1 ZINC001620624600 1126241798 /nfs/dbraw/zinc/24/17/98/1126241798.db2.gz AKXNVDSUWMTZPL-JOCHJYFZSA-N 0 1 430.957 4.333 20 0 IIADMN O[C@@H]1c2ccccc2C[C@H]1NCc1c(Br)cc(F)c(F)c1N1CCCCC1 ZINC001621560538 1126246718 /nfs/dbraw/zinc/24/67/18/1126246718.db2.gz QFWBPEAPYNUOEM-WIYYLYMNSA-N 0 1 437.328 4.466 20 0 IIADMN CC(C)n1nc(CN(C)C)c2c1CN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)CC2 ZINC001164648767 719309542 /nfs/dbraw/zinc/30/95/42/719309542.db2.gz REDODDUNEIAWRP-UHFFFAOYSA-N 0 1 444.627 4.042 20 0 IIADMN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(Cl)nc3[nH]cnc31)CC2 ZINC001164664183 719349500 /nfs/dbraw/zinc/34/95/00/719349500.db2.gz SYSNZBSNAQQIDM-UHFFFAOYSA-N 0 1 447.974 4.306 20 0 IIADMN Cc1nc(CN2CCCC23CCN(c2ncnc4c2ncn4-c2ccccc2)CC3)cs1 ZINC001164692172 719816044 /nfs/dbraw/zinc/81/60/44/719816044.db2.gz MQXOERYOBJEIOE-UHFFFAOYSA-N 0 1 445.596 4.215 20 0 IIADMN Clc1cc(-c2ccncc2)c(N2CCC3(CC2)CN(Cc2cccs2)CCO3)nn1 ZINC001164695712 719888092 /nfs/dbraw/zinc/88/80/92/719888092.db2.gz SBGBSMGHXXTNKH-UHFFFAOYSA-N 0 1 441.988 4.125 20 0 IIADMN FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164736655 720591778 /nfs/dbraw/zinc/59/17/78/720591778.db2.gz QGGWHQGAVBQXIG-UHFFFAOYSA-N 0 1 449.855 4.154 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)[C@H]2C ZINC001164857030 720953315 /nfs/dbraw/zinc/95/33/15/720953315.db2.gz FRHUSBAOAKKHIG-AWEZNQCLSA-N 0 1 434.922 4.446 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(-c3ccncc3)nc3sccc31)[C@H]2C ZINC001164861777 721015006 /nfs/dbraw/zinc/01/50/06/721015006.db2.gz PIGCNLPYKRLOIJ-INIZCTEOSA-N 0 1 433.585 4.371 20 0 IIADMN FC(F)(c1cccc2ccnc(Cl)c21)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867415 721105387 /nfs/dbraw/zinc/10/53/87/721105387.db2.gz YJRGNHQIXDXGND-MOPGFXCFSA-N 0 1 444.913 4.308 20 0 IIADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ncnc4cc(Cl)ccc43)C2)C1 ZINC001164777440 721345260 /nfs/dbraw/zinc/34/52/60/721345260.db2.gz HDMXFJYHLUICLL-QHCPKHFHSA-N 0 1 441.963 4.007 20 0 IIADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3csc4ncnc(Cl)c34)C2)C1 ZINC001164778717 721345419 /nfs/dbraw/zinc/34/54/19/721345419.db2.gz OFBZAVPXBZICCB-NRFANRHFSA-N 0 1 447.992 4.069 20 0 IIADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ccc4cc(Cl)cnc4n3)C2)C1 ZINC001164779052 721347225 /nfs/dbraw/zinc/34/72/25/721347225.db2.gz PTARPNJQSQNTRU-HSZRJFAPSA-N 0 1 441.963 4.007 20 0 IIADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc4ccc(Cl)nc4cn3)C2)C1 ZINC001164777426 721352370 /nfs/dbraw/zinc/35/23/70/721352370.db2.gz GYPUUNPVCXSZOD-HSZRJFAPSA-N 0 1 441.963 4.007 20 0 IIADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ccc4nccc(Cl)c4n3)C2)C1 ZINC001164780271 721363444 /nfs/dbraw/zinc/36/34/44/721363444.db2.gz FKVASCMKKAVVSR-HSZRJFAPSA-N 0 1 441.963 4.007 20 0 IIADMN FC(F)(c1cccc(Cl)n1)N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906143 721584162 /nfs/dbraw/zinc/58/41/62/721584162.db2.gz YZQPLGBNABIOHS-SFHVURJKSA-N 0 1 428.861 4.413 20 0 IIADMN CCc1nc(Cl)nc(Cl)c1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164912896 721735272 /nfs/dbraw/zinc/73/52/72/721735272.db2.gz QXDUUNKKTDFIJB-LJQANCHMSA-N 0 1 442.341 4.479 20 0 IIADMN COc1nc(Cl)ncc1C(F)(F)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165015224 721767609 /nfs/dbraw/zinc/76/76/09/721767609.db2.gz OJJSXKMBNCLLFK-UHFFFAOYSA-N 0 1 431.830 4.195 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2cc(C(=O)OC(C)(C)C)ccn2)CC1 ZINC001165020193 721838912 /nfs/dbraw/zinc/83/89/12/721838912.db2.gz FQTAOGSBGUTHEI-UHFFFAOYSA-N 0 1 441.572 4.155 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2cnc3c(Cl)cccc3n2)CC1 ZINC001165020204 721839764 /nfs/dbraw/zinc/83/97/64/721839764.db2.gz FZGZIYPMEWZLQE-UHFFFAOYSA-N 0 1 426.948 4.401 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2nc3ccccc3nc2Cl)CC1 ZINC001165020270 721840348 /nfs/dbraw/zinc/84/03/48/721840348.db2.gz HBRGJMDLMXMXSZ-UHFFFAOYSA-N 0 1 426.948 4.401 20 0 IIADMN COC(=O)c1ccc2nc(N(C)C3CCN(Cc4c(OC)cccc4OC)CC3)ccc2c1 ZINC001165023409 721840422 /nfs/dbraw/zinc/84/04/22/721840422.db2.gz WNHAQBIRGFAKSB-UHFFFAOYSA-N 0 1 449.551 4.139 20 0 IIADMN CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CCN(C[C@H]2CCCO2)CC1 ZINC001165036478 721913880 /nfs/dbraw/zinc/91/38/80/721913880.db2.gz CWYDTSQRGKZOQN-QGZVFWFLSA-N 0 1 447.938 4.019 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4nc(Cl)nc5c4CSCC5)CC3)C2)cc1 ZINC001164939872 721921736 /nfs/dbraw/zinc/92/17/36/721921736.db2.gz ORQVRTUEIWBOTN-UHFFFAOYSA-N 0 1 445.032 4.099 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(C(F)(F)c4cnc(Cl)cc4N)CC3)C2)cc1 ZINC001164941038 721926580 /nfs/dbraw/zinc/92/65/80/721926580.db2.gz ZHRFVDVCMOLZJP-UHFFFAOYSA-N 0 1 436.934 4.042 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4cc(-c5ccc(F)cc5)ncn4)CC3)C2)cc1 ZINC001164939025 721931463 /nfs/dbraw/zinc/93/14/63/721931463.db2.gz HIGVEXBYBXKPIA-UHFFFAOYSA-N 0 1 432.543 4.463 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4cc(-c5ccncc5)nc(C)n4)CC3)C2)cc1 ZINC001164938995 721931686 /nfs/dbraw/zinc/93/16/86/721931686.db2.gz GKFRCYFCOIQQPN-UHFFFAOYSA-N 0 1 429.568 4.027 20 0 IIADMN Cc1cnc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1-c1ccccc1F ZINC001164965213 722062016 /nfs/dbraw/zinc/06/20/16/722062016.db2.gz JLYJZBLOJAXHMP-UHFFFAOYSA-N 0 1 447.558 4.105 20 0 IIADMN CC1CCN(C(=O)c2cccnc2N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)CC1 ZINC001164995972 722207838 /nfs/dbraw/zinc/20/78/38/722207838.db2.gz QSFMLDHBOWRCSP-SANMLTNESA-N 0 1 436.575 4.338 20 0 IIADMN C[C@@H]1CCCN(C(=O)c2ccc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)nc2)C1 ZINC001164995939 722207867 /nfs/dbraw/zinc/20/78/67/722207867.db2.gz QEPMOLQBYVHOHS-IBVKSMDESA-N 0 1 436.575 4.338 20 0 IIADMN C[N@H+]1CCC[C@@H](CNC(=O)NC2(C(=O)[O-])CCCCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000780576951 939137212 /nfs/dbraw/zinc/13/72/12/939137212.db2.gz CLGDVQMZGDQPDE-WMZOPIPTSA-N 0 1 441.494 4.175 20 0 IIADMN O=C([O-])[C@@]1(NC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CCC[N@@H+](Cc2ccccc2)C1 ZINC001123268572 939817481 /nfs/dbraw/zinc/81/74/81/939817481.db2.gz SQODKJGRLNEPCU-JOCHJYFZSA-N 0 1 446.334 4.324 20 0 IIADMN C[C@H](CC(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC001123268546 939817598 /nfs/dbraw/zinc/81/75/98/939817598.db2.gz SJAZQDPLGCANLM-HXOBKFHXSA-N 0 1 448.485 4.435 20 0 IIADMN COc1cc(Br)c(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cc1OC ZINC000604766290 1126100116 /nfs/dbraw/zinc/10/01/16/1126100116.db2.gz YMSFKBHOSWKSEX-CRAIPNDOSA-N 0 1 448.279 4.090 20 0 IIADMN Cc1cc(Br)cn2c(CN[C@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)cnc12 ZINC000680121403 1126105595 /nfs/dbraw/zinc/10/55/95/1126105595.db2.gz VLONDYFZJZNPAG-IAGOWNOFSA-N 0 1 442.279 4.029 20 0 IIADMN C[C@@](CO)(Cc1ccc(Cl)cc1)NCc1ccc(F)cc1I ZINC001308494103 1126167360 /nfs/dbraw/zinc/16/73/60/1126167360.db2.gz FRNTYJLOZUCNPU-KRWDZBQOSA-N 0 1 433.692 4.167 20 0 IIADMN OC[C@@]1(NCc2c(F)cccc2Br)CCc2cc(Br)ccc2C1 ZINC001473641983 1126198375 /nfs/dbraw/zinc/19/83/75/1126198375.db2.gz YSTQNYDNFYECAS-GOSISDBHSA-N 0 1 443.154 4.360 20 0 IIADMN COc1ccccc1-c1nc(CN[C@@]2(CO)CCc3cc(Br)ccc3C2)co1 ZINC001559997662 1126207100 /nfs/dbraw/zinc/20/71/00/1126207100.db2.gz BIACIIQMQHDCMR-QFIPXVFZSA-N 0 1 443.341 4.122 20 0 IIADMN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc3[nH]cnc3cc1Cl)CC2 ZINC001164660681 719352084 /nfs/dbraw/zinc/35/20/84/719352084.db2.gz WYAACHLTKFGNKE-UHFFFAOYSA-N 0 1 447.974 4.306 20 0 IIADMN Cc1sc2nc(-c3ccccn3)nc(N3C[C@H]4OCCN(C)[C@H]4C3)c2c1-c1ccccc1 ZINC001164670304 719445825 /nfs/dbraw/zinc/44/58/25/719445825.db2.gz NTWQOVBCFHOTGZ-VQTJNVASSA-N 0 1 443.576 4.248 20 0 IIADMN CCOC(=O)c1cc(Cl)nc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)c1 ZINC001164693927 719803161 /nfs/dbraw/zinc/80/31/61/719803161.db2.gz VVMBMNZYZZNPAV-UHFFFAOYSA-N 0 1 434.993 4.312 20 0 IIADMN CCOC(=O)/C=C/c1ccc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)nc1 ZINC001164692641 719811526 /nfs/dbraw/zinc/81/15/26/719811526.db2.gz QGJYFIXENOPEAC-SOFGYWHQSA-N 0 1 426.586 4.058 20 0 IIADMN COc1cccc2nc(Cl)nc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)c21 ZINC001164699278 719893444 /nfs/dbraw/zinc/89/34/44/719893444.db2.gz YQMOWFNPYMVWKL-UHFFFAOYSA-N 0 1 444.988 4.225 20 0 IIADMN COc1ccc(-c2ccc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)nn2)cc1 ZINC001164698181 719897814 /nfs/dbraw/zinc/89/78/14/719897814.db2.gz PJTLYZIBCNXGDM-UHFFFAOYSA-N 0 1 436.581 4.085 20 0 IIADMN Fc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164732041 720476873 /nfs/dbraw/zinc/47/68/73/720476873.db2.gz YIPIAFBWSHIOHR-MSOLQXFVSA-N 0 1 425.895 4.310 20 0 IIADMN COc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c1 ZINC001164729543 720479909 /nfs/dbraw/zinc/47/99/09/720479909.db2.gz RNQFBVZYBQCOCV-UXHICEINSA-N 0 1 437.931 4.179 20 0 IIADMN FC(F)(c1ccc2c(ccnc2Cl)c1)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164736784 720588750 /nfs/dbraw/zinc/58/87/50/720588750.db2.gz UAUJPNWLYOYHSF-UHFFFAOYSA-N 0 1 431.918 4.288 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1ccc3c(Cl)ncnc3c1)[C@H]2C ZINC001164858677 720934537 /nfs/dbraw/zinc/93/45/37/720934537.db2.gz JVVPCZSKFZLRIG-AWEZNQCLSA-N 0 1 434.922 4.446 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1ccc3nc(Cl)cnc3c1)[C@@H]2C ZINC001164857031 720954423 /nfs/dbraw/zinc/95/44/23/720954423.db2.gz FRHUSBAOAKKHIG-CQSZACIVSA-N 0 1 434.922 4.446 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)[C@@H]2C ZINC001164859900 720980486 /nfs/dbraw/zinc/98/04/86/720980486.db2.gz MXUWTHYFXBOHDG-CQSZACIVSA-N 0 1 445.930 4.074 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(c1cc(-c3nc(-c4cccs4)no3)ccn1)[C@@H]2C ZINC001164862486 721012597 /nfs/dbraw/zinc/01/25/97/721012597.db2.gz QOKWUQDDKDWVST-MRXNPFEDSA-N 0 1 449.584 4.478 20 0 IIADMN FC(F)(c1ccc2ccnc(Cl)c2c1)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865530 721077729 /nfs/dbraw/zinc/07/77/29/721077729.db2.gz MLSXUSGZMNFOJV-PMACEKPBSA-N 0 1 444.913 4.308 20 0 IIADMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4cccc5ccnc(Cl)c54)C[C@@H]3C2)cn1 ZINC001164761641 721155819 /nfs/dbraw/zinc/15/58/19/721155819.db2.gz ABXQCZPRFOXSDD-MSOLQXFVSA-N 0 1 431.918 4.125 20 0 IIADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ncnc4c(Cl)cccc43)C2)C1 ZINC001164779030 721340516 /nfs/dbraw/zinc/34/05/16/721340516.db2.gz PBZXYJKFDSSOKR-HSZRJFAPSA-N 0 1 441.963 4.007 20 0 IIADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5cc(Cl)ccc54)C3)O2)CC1 ZINC001164887104 721401170 /nfs/dbraw/zinc/40/11/70/721401170.db2.gz LAGJXSQMOVMZRD-JPYJTQIMSA-N 0 1 449.426 4.307 20 0 IIADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)ccc4-c4ccccc4)C3)O2)CC1 ZINC001164885101 721409597 /nfs/dbraw/zinc/40/95/97/721409597.db2.gz FMQLEXCWTQUMPY-BWKNWUBXSA-N 0 1 441.019 4.167 20 0 IIADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4c(Cl)ccc5ccc(Cl)nc54)C3)O2)CC1 ZINC001164884336 721447900 /nfs/dbraw/zinc/44/79/00/721447900.db2.gz ASCGMSYXRFHVQH-WZONZLPQSA-N 0 1 449.426 4.307 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc3nc(Cl)cnc3cc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164807157 721548560 /nfs/dbraw/zinc/54/85/60/721548560.db2.gz PQQJIFPSVQMGLZ-CZTZKLFOSA-N 0 1 444.366 4.200 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(C(C)(C)C)nc(C(C)(C)C)n2)[C@@H]2CCCO[C@@H]12 ZINC001164799600 721575630 /nfs/dbraw/zinc/57/56/30/721575630.db2.gz CYAJMDAOUWRLPV-TXTKFYIRSA-N 0 1 437.632 4.335 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(C(C)(C)C)nc(C(C)(C)C)n2)[C@@H]2CCCO[C@H]12 ZINC001164799603 721576380 /nfs/dbraw/zinc/57/63/80/721576380.db2.gz CYAJMDAOUWRLPV-VIZSFHNOSA-N 0 1 437.632 4.335 20 0 IIADMN Cc1nc(-c2ccccc2)nc(Cl)c1N1C[C@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164800673 721581807 /nfs/dbraw/zinc/58/18/07/721581807.db2.gz CKSSDZCCHJXQCV-GIWBLDEGSA-N 0 1 449.986 4.369 20 0 IIADMN FC1(F)CCN(c2nc(Cl)nc3c2CSC3)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164908425 721697153 /nfs/dbraw/zinc/69/71/53/721697153.db2.gz ZDBRIIKHHXMNOQ-IBGZPJMESA-N 0 1 437.947 4.010 20 0 IIADMN FC1(F)CCN(c2ncc3c(Cl)cccc3n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164907373 721707924 /nfs/dbraw/zinc/70/79/24/721707924.db2.gz RELLBJRDPIDPPA-NRFANRHFSA-N 0 1 429.902 4.416 20 0 IIADMN CSc1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc(SC)n1 ZINC001164912687 721737632 /nfs/dbraw/zinc/73/76/32/721737632.db2.gz PKJKVLBPJMSLTI-LJQANCHMSA-N 0 1 437.585 4.053 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2cncc(OCc3ccccc3)n2)CC1 ZINC001165023469 721839121 /nfs/dbraw/zinc/83/91/21/721839121.db2.gz YTUTVLFFQPTCJH-UHFFFAOYSA-N 0 1 448.567 4.174 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2nnc(Cl)c3ccsc32)CC1 ZINC001165019253 721839303 /nfs/dbraw/zinc/83/93/03/721839303.db2.gz BOISSGNIGYKGKE-UHFFFAOYSA-N 0 1 432.977 4.463 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2cnc(OCc3ccccc3)cn2)CC1 ZINC001165020253 721842671 /nfs/dbraw/zinc/84/26/71/721842671.db2.gz BDOZZWZCHCUHHO-UHFFFAOYSA-N 0 1 448.567 4.174 20 0 IIADMN CCCSc1ncnc(N(C)C2CCN(Cc3c(OC)cccc3OC)CC2)c1OC ZINC001165031148 721845025 /nfs/dbraw/zinc/84/50/25/721845025.db2.gz VFLNIYHYMFDACV-UHFFFAOYSA-N 0 1 446.617 4.105 20 0 IIADMN Clc1cc2c(Cl)ccnc2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164971905 722114613 /nfs/dbraw/zinc/11/46/13/722114613.db2.gz DEMCDGIIXQGJGJ-VQIMIIECSA-N 0 1 444.366 4.059 20 0 IIADMN Clc1cc2c(Cl)ccnc2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164971902 722114729 /nfs/dbraw/zinc/11/47/29/722114729.db2.gz DEMCDGIIXQGJGJ-APWZRJJASA-N 0 1 444.366 4.059 20 0 IIADMN CC(C)n1cnc2c1nc(Cl)nc2N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164995189 722205346 /nfs/dbraw/zinc/20/53/46/722205346.db2.gz LLOKRNOLCYVLTN-QFIPXVFZSA-N 0 1 428.943 4.445 20 0 IIADMN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001123267479 939816771 /nfs/dbraw/zinc/81/67/71/939816771.db2.gz IHUNOEGFCQYIPW-FNZWTVRRSA-N 0 1 438.568 4.121 20 0 IIADMN C[C@](CO)(Cc1ccc(Br)cc1)NCc1ncc(Br)cc1Cl ZINC001620624518 1126241865 /nfs/dbraw/zinc/24/18/65/1126241865.db2.gz ZASSGJBJIGUZOR-MRXNPFEDSA-N 0 1 448.586 4.343 20 0 IIADMN C[C@](CO)(Cc1ccc(Cl)cc1)NCc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC001621486891 1126246734 /nfs/dbraw/zinc/24/67/34/1126246734.db2.gz GRBOPPHRTQXPDC-LJQANCHMSA-N 0 1 425.747 4.311 20 0 IIADMN Cc1nc(CN2CCCC23CCN(c2ccc(C(=O)NC(C)(C)C)cn2)CC3)cs1 ZINC001164693840 719809008 /nfs/dbraw/zinc/80/90/08/719809008.db2.gz RNHHZJDYPAMMAE-UHFFFAOYSA-N 0 1 427.618 4.010 20 0 IIADMN CCc1nc(Cl)c(N2CCC3(CC2)CN(Cc2cccs2)CCO3)c(Cl)n1 ZINC001164707699 719899799 /nfs/dbraw/zinc/89/97/99/719899799.db2.gz VHQUQCDWYWKTJJ-UHFFFAOYSA-N 0 1 427.401 4.279 20 0 IIADMN c1csc(-c2csc3ncnc(N4CCc5ncc(CN6CCCC6)n5CC4)c23)c1 ZINC001164732699 720555715 /nfs/dbraw/zinc/55/57/15/720555715.db2.gz DRLIAALVDQTOJU-UHFFFAOYSA-N 0 1 436.610 4.275 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1nc(Cl)c3ccccc3n1)[C@H]2C ZINC001164854861 720927387 /nfs/dbraw/zinc/92/73/87/720927387.db2.gz GKJOPHGROJNQTK-AWEZNQCLSA-N 0 1 434.922 4.446 20 0 IIADMN COc1ccc(Cc2c(C)nc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)nc2C)cc1 ZINC001164863115 721017582 /nfs/dbraw/zinc/01/75/82/721017582.db2.gz SYRPYQJTEYVXJR-FQEVSTJZSA-N 0 1 448.615 4.311 20 0 IIADMN Cn1cc(CN2CC[C@H]3CN(c4c(Cl)nc(Cl)c(Cl)c4Cl)C[C@@H]3C2)cn1 ZINC001164771006 721101828 /nfs/dbraw/zinc/10/18/28/721101828.db2.gz QVPINARJVROTDN-RYUDHWBXSA-N 0 1 435.186 4.387 20 0 IIADMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4cccc5ccnc(Cl)c54)C[C@H]3C2)cn1 ZINC001164761643 721156219 /nfs/dbraw/zinc/15/62/19/721156219.db2.gz ABXQCZPRFOXSDD-QZTJIDSGSA-N 0 1 431.918 4.125 20 0 IIADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4cc(Cl)nc5c4CCCCC5)C[C@H]3C2)cn1 ZINC001164759446 721248655 /nfs/dbraw/zinc/24/86/55/721248655.db2.gz AJGPTADYBIQKNA-ZWKOTPCHSA-N 0 1 449.977 4.241 20 0 IIADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cc4ccc(Cl)nc4cn3)C2)C1 ZINC001164777428 721352152 /nfs/dbraw/zinc/35/21/52/721352152.db2.gz GYPUUNPVCXSZOD-QHCPKHFHSA-N 0 1 441.963 4.007 20 0 IIADMN Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4ccc5cnc(Cl)nc5c4)CCN3C2)c1 ZINC001164907138 721541669 /nfs/dbraw/zinc/54/16/69/721541669.db2.gz MGHPCJDWMMWTOT-IEBWSBKVSA-N 0 1 448.876 4.309 20 0 IIADMN Fc1cccc(O[C@@H]2C[C@@H]3CN(C(F)(F)c4cc(C5CC5)nnc4Cl)CCN3C2)c1 ZINC001164909170 721555220 /nfs/dbraw/zinc/55/52/20/721555220.db2.gz SHJXZPOTTVHNEB-NVXWUHKLSA-N 0 1 438.881 4.033 20 0 IIADMN FC1(F)CCN(c2ncc3ccc(Cl)cc3n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164905504 721711195 /nfs/dbraw/zinc/71/11/95/721711195.db2.gz GZRPXGWHFHLWEX-NRFANRHFSA-N 0 1 429.902 4.416 20 0 IIADMN Cc1nc(C2CC2)nc(Cl)c1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164913142 721726811 /nfs/dbraw/zinc/72/68/11/721726811.db2.gz UJILRRKVRDLPKU-NRFANRHFSA-N 0 1 433.934 4.449 20 0 IIADMN FC(F)(Oc1ccnc(Cl)c1)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164910574 721735474 /nfs/dbraw/zinc/73/54/74/721735474.db2.gz GLTODQAKQVLDBZ-GOSISDBHSA-N 0 1 444.860 4.292 20 0 IIADMN COc1cccc(-c2ccnc(N(C)C3CCN(Cc4c(OC)cccc4OC)CC3)n2)c1 ZINC001165022054 721842659 /nfs/dbraw/zinc/84/26/59/721842659.db2.gz OIDBNFTVTDDLGD-UHFFFAOYSA-N 0 1 448.567 4.270 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2cc(-c3ccc(F)cc3)ncn2)CC1 ZINC001165023220 721843861 /nfs/dbraw/zinc/84/38/61/721843861.db2.gz YTFUXXQHWUCJRT-UHFFFAOYSA-N 0 1 436.531 4.401 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2ccc(-c3ccccc3F)nn2)CC1 ZINC001165020429 721844368 /nfs/dbraw/zinc/84/43/68/721844368.db2.gz DNGGKMDPSKVCIB-UHFFFAOYSA-N 0 1 436.531 4.401 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2nc3c(nc2Cl)CCCC3)CC1 ZINC001165030375 721845161 /nfs/dbraw/zinc/84/51/61/721845161.db2.gz JWRJFVPZQOVRHM-UHFFFAOYSA-N 0 1 430.980 4.127 20 0 IIADMN CCc1nc(Cl)nc(Cl)c1N(C)C1CCN(Cc2c(OC)cccc2OC)CC1 ZINC001165030875 721845195 /nfs/dbraw/zinc/84/51/95/721845195.db2.gz LFPNZWWLGDXUII-UHFFFAOYSA-N 0 1 439.387 4.464 20 0 IIADMN COc1cccc(-c2ccnc(N3CCC4(CC3)CN(Cc3ccc(C)cc3)CCO4)n2)c1 ZINC001164940649 721929020 /nfs/dbraw/zinc/92/90/20/721929020.db2.gz VKQMFRFDLHVQIB-UHFFFAOYSA-N 0 1 444.579 4.332 20 0 IIADMN COc1ccccc1-c1cc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)ncn1 ZINC001164940709 721931365 /nfs/dbraw/zinc/93/13/65/721931365.db2.gz XZQVTFFDJCQVCD-UHFFFAOYSA-N 0 1 444.579 4.332 20 0 IIADMN Cc1cc2c(nc(Cl)nc2N2CCC3(CC2)COCCN(Cc2ccncc2)C3)s1 ZINC001164964837 722054306 /nfs/dbraw/zinc/05/43/06/722054306.db2.gz YICYGOOHQRAUJN-UHFFFAOYSA-N 0 1 444.004 4.167 20 0 IIADMN Cc1c(Cl)nc(C(C)(C)C)nc1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164963296 722059314 /nfs/dbraw/zinc/05/93/14/722059314.db2.gz VVUJMJWBDFTKEO-UHFFFAOYSA-N 0 1 444.023 4.250 20 0 IIADMN Cc1cc(NC(=O)c2cccnc2N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)no1 ZINC001164995394 722207691 /nfs/dbraw/zinc/20/76/91/722207691.db2.gz NMTJNJVMUSUGTJ-XMMPIXPASA-N 0 1 435.503 4.014 20 0 IIADMN CC(C)(C)OC(=O)Nc1ccc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)cn1 ZINC000756118023 1126107076 /nfs/dbraw/zinc/10/70/76/1126107076.db2.gz JXWVUKDOQDCFSR-FUHWJXTLSA-N 0 1 425.451 4.053 20 0 IIADMN C[C@](CO)(Cc1ccc(Cl)cc1)NCc1ccc(F)cc1I ZINC001308494104 1126167315 /nfs/dbraw/zinc/16/73/15/1126167315.db2.gz FRNTYJLOZUCNPU-QGZVFWFLSA-N 0 1 433.692 4.167 20 0 IIADMN Cc1nc(CN2CCCC23CCN(c2nc(-c4cccnc4)nc4c2CCC4)CC3)cs1 ZINC001164693096 719815362 /nfs/dbraw/zinc/81/53/62/719815362.db2.gz ULEAZELNATXHTI-UHFFFAOYSA-N 0 1 446.624 4.427 20 0 IIADMN CCCSc1ncnc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)c1OC ZINC001164700674 719816285 /nfs/dbraw/zinc/81/62/85/719816285.db2.gz LHHZPSZQQXFJKY-UHFFFAOYSA-N 0 1 433.647 4.387 20 0 IIADMN c1csc(CN2CCOC3(CCN(c4ncnc5sc6c(c54)CCC6)CC3)C2)c1 ZINC001164698971 719897977 /nfs/dbraw/zinc/89/79/77/719897977.db2.gz UYKZVEFWLFLHCE-UHFFFAOYSA-N 0 1 426.611 4.113 20 0 IIADMN Cc1ccc(Oc2nc(Cl)ncc2N2CCc3ncc(CN4CCCC4)n3CC2)cc1 ZINC001164741522 720592790 /nfs/dbraw/zinc/59/27/90/720592790.db2.gz LKSWCOCXISPCDP-UHFFFAOYSA-N 0 1 438.963 4.086 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cccc3c(Cl)ncnc31)[C@H]2C ZINC001164857198 721006599 /nfs/dbraw/zinc/00/65/99/721006599.db2.gz DAASVDXJSXWOCI-AWEZNQCLSA-N 0 1 434.922 4.446 20 0 IIADMN FC(F)(c1ccc2ccnc(Cl)c2c1)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865533 721077473 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439.387 4.421 20 0 IIADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4c(Cl)ccc5ccc(Cl)nc54)C3)O2)CC1 ZINC001164884329 721447062 /nfs/dbraw/zinc/44/70/62/721447062.db2.gz ASCGMSYXRFHVQH-FDDCHVKYSA-N 0 1 449.426 4.307 20 0 IIADMN Fc1cccc(O[C@H]2C[C@H]3CN(c4nc5cc(F)c(F)cc5nc4Cl)CCN3C2)c1 ZINC001164908148 721528889 /nfs/dbraw/zinc/52/88/89/721528889.db2.gz PCNBLLASWALOSG-ZFWWWQNUSA-N 0 1 434.849 4.042 20 0 IIADMN CSc1cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc(SC)n1 ZINC001164912685 721736710 /nfs/dbraw/zinc/73/67/10/721736710.db2.gz PKJKVLBPJMSLTI-IBGZPJMESA-N 0 1 437.585 4.053 20 0 IIADMN CCCSc1ncnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1OC ZINC001164913111 721737173 /nfs/dbraw/zinc/73/71/73/721737173.db2.gz SZTDITNSLADHGH-NRFANRHFSA-N 0 1 449.571 4.120 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2cc3nccc(Cl)c3cn2)CC1 ZINC001165019276 721840904 /nfs/dbraw/zinc/84/09/04/721840904.db2.gz CBBBOAFFLXJROB-UHFFFAOYSA-N 0 1 426.948 4.401 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4nccc(-c5ccc(F)cc5)n4)CC3)C2)cc1 ZINC001164938893 721925463 /nfs/dbraw/zinc/92/54/63/721925463.db2.gz AAJWTPDFUCFJIP-UHFFFAOYSA-N 0 1 432.543 4.463 20 0 IIADMN COC(=O)c1ccc2cc(N3CCC4(CC3)CN(Cc3ccc(C)cc3)CCO4)ncc2c1 ZINC001164940194 721930552 /nfs/dbraw/zinc/93/05/52/721930552.db2.gz RMVJOWSFNHCKDK-UHFFFAOYSA-N 0 1 445.563 4.201 20 0 IIADMN Cc1ccc2c(c1)nc(Cl)nc2N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164963077 722056112 /nfs/dbraw/zinc/05/61/12/722056112.db2.gz HAPMOMUTPZAMJI-UHFFFAOYSA-N 0 1 437.975 4.106 20 0 IIADMN Cc1nc2c3ccccc3oc2c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164960710 722057825 /nfs/dbraw/zinc/05/78/25/722057825.db2.gz IPLIFESHLTYSFI-UHFFFAOYSA-N 0 1 443.551 4.198 20 0 IIADMN CC(C)(C)OC(=O)Nc1nccc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164995733 722197082 /nfs/dbraw/zinc/19/70/82/722197082.db2.gz XKSQLEUSAUHEIR-QHCPKHFHSA-N 0 1 427.524 4.208 20 0 IIADMN C[C@H]1CCCN(C(=O)c2ccc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)nc2)C1 ZINC001164995937 722207846 /nfs/dbraw/zinc/20/78/46/722207846.db2.gz QEPMOLQBYVHOHS-FNZWTVRRSA-N 0 1 436.575 4.338 20 0 IIADMN CC1CCN(C(=O)c2cccnc2N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)CC1 ZINC001164995971 722207992 /nfs/dbraw/zinc/20/79/92/722207992.db2.gz QSFMLDHBOWRCSP-AREMUKBSSA-N 0 1 436.575 4.338 20 0 IIADMN O=C([O-])[C@@]1(NC(=O)Cc2cc3c(ccc4ccccc34)o2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001123270586 939818629 /nfs/dbraw/zinc/81/86/29/939818629.db2.gz JJGSIEVEADMTCQ-HHHXNRCGSA-N 0 1 442.515 4.364 20 0 IIADMN Cc1ccc(-c2ncc(C(=O)N[C@]3(C(=O)[O-])CCC[N@@H+](Cc4ccccc4)C3)s2)c(C)c1 ZINC001123372133 939821412 /nfs/dbraw/zinc/82/14/12/939821412.db2.gz JNBGWAPOOBMFPZ-RUZDIDTESA-N 0 1 449.576 4.276 20 0 IIADMN CC[C@H](C)Oc1ccccc1/C=C\C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001123372739 939822616 /nfs/dbraw/zinc/82/26/16/939822616.db2.gz SKYYIAWQWPATDG-YYPPWSSYSA-N 0 1 436.552 4.113 20 0 IIADMN Cc1cc(Br)cn2c(CN[C@H](Cc3ccccc3)[C@H](O)C(F)(F)F)cnc12 ZINC000680121405 1126105857 /nfs/dbraw/zinc/10/58/57/1126105857.db2.gz VLONDYFZJZNPAG-SJORKVTESA-N 0 1 442.279 4.029 20 0 IIADMN CC(C)(C)OC(=O)Nc1ncc(CN[C@@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)s1 ZINC000800238818 1126110539 /nfs/dbraw/zinc/11/05/39/1126110539.db2.gz JQNDKWYKCHQHSD-LSDHHAIUSA-N 0 1 431.480 4.114 20 0 IIADMN COc1ccccc1C[C@@](C)(CO)NCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC001197304417 1126154347 /nfs/dbraw/zinc/15/43/47/1126154347.db2.gz LZWDCGACGXSTFP-DEOSSOPVSA-N 0 1 435.549 4.156 20 0 IIADMN C[C@](CO)(Cc1ccc(Br)cc1)NCc1cccc(O)c1Br ZINC001308478792 1126166313 /nfs/dbraw/zinc/16/63/13/1126166313.db2.gz BTZGIBIDOVHZMV-QGZVFWFLSA-N 0 1 429.152 4.001 20 0 IIADMN C[C@@](CO)(Cc1ccc(F)cc1)NCc1cc(Cl)ccc1I ZINC001560182179 1126208396 /nfs/dbraw/zinc/20/83/96/1126208396.db2.gz BBGDYCJKMFKTDZ-KRWDZBQOSA-N 0 1 433.692 4.167 20 0 IIADMN CNC(=O)CN1CCCC12CCN(C(F)(F)c1ccc(-c3ccnc(Cl)c3)cc1)CC2 ZINC001164683060 719707486 /nfs/dbraw/zinc/70/74/86/719707486.db2.gz IBAGEUYLFKUKBF-UHFFFAOYSA-N 0 1 448.945 4.128 20 0 IIADMN COC(=O)c1ccc2ccnc(N3CCC4(CCCN4Cc4csc(C)n4)CC3)c2c1 ZINC001164693013 719807251 /nfs/dbraw/zinc/80/72/51/719807251.db2.gz OXVPNSWYNUUJCR-UHFFFAOYSA-N 0 1 436.581 4.421 20 0 IIADMN Cc1nc(CN2CCCC23CCN(c2cnc(OCc4ccccc4)cn2)CC3)cs1 ZINC001164692058 719811750 /nfs/dbraw/zinc/81/17/50/719811750.db2.gz KZQZOSUCCLSFLF-UHFFFAOYSA-N 0 1 435.597 4.456 20 0 IIADMN CCOC(=O)c1nc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)ccc1Cl ZINC001164692816 719812167 /nfs/dbraw/zinc/81/21/67/719812167.db2.gz SFHRHFVDIXTAAT-UHFFFAOYSA-N 0 1 434.993 4.312 20 0 IIADMN Fc1c(Cl)nccc1C(F)(F)N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164694608 719886746 /nfs/dbraw/zinc/88/67/46/719886746.db2.gz AXNCZAJWHFUOMZ-UHFFFAOYSA-N 0 1 431.911 4.352 20 0 IIADMN FC(F)(Oc1ccc(Cl)nc1)N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164695263 719889986 /nfs/dbraw/zinc/88/99/86/719889986.db2.gz KIRQLLWSSCAAGD-UHFFFAOYSA-N 0 1 429.920 4.093 20 0 IIADMN CC(C)c1noc(-c2ccnc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)c2)n1 ZINC001164707125 719901333 /nfs/dbraw/zinc/90/13/33/719901333.db2.gz NWQZGADBEYQBSY-UHFFFAOYSA-N 0 1 439.585 4.188 20 0 IIADMN Fc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cc1 ZINC001164726894 720444523 /nfs/dbraw/zinc/44/45/23/720444523.db2.gz CGFFSTSJMBTVGM-RBUKOAKNSA-N 0 1 425.895 4.310 20 0 IIADMN COc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cc1 ZINC001164729623 720479674 /nfs/dbraw/zinc/47/96/74/720479674.db2.gz SAIAXVPHNQNLFP-VQTJNVASSA-N 0 1 437.931 4.179 20 0 IIADMN CCOc1cc2ncnc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)c2cc1OCC ZINC001164856973 720962525 /nfs/dbraw/zinc/96/25/25/720962525.db2.gz DFKLUAUAWZHERR-QGZVFWFLSA-N 0 1 438.576 4.045 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(c1cc(Cl)ncc1C(=O)OC(C)(C)C)[C@@H]2C ZINC001164862587 720973599 /nfs/dbraw/zinc/97/35/99/720973599.db2.gz TUSXSHAZQUGSIU-OAHLLOKOSA-N 0 1 433.984 4.308 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc(Oc3ccc(F)cc3)n1)[C@@H]2C ZINC001164864194 720977079 /nfs/dbraw/zinc/97/70/79/720977079.db2.gz ZGIDWXFHUWXCJX-CQSZACIVSA-N 0 1 445.930 4.074 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)Oc1ccc(Cl)nc1Cl)[C@@H]2C ZINC001164859509 721019606 /nfs/dbraw/zinc/01/96/06/721019606.db2.gz IUZPXHVRNGGFQG-GFCCVEGCSA-N 0 1 434.318 4.431 20 0 IIADMN FC(F)(c1ccc2ccnc(Cl)c2c1)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865531 721078155 /nfs/dbraw/zinc/07/81/55/721078155.db2.gz MLSXUSGZMNFOJV-UXHICEINSA-N 0 1 444.913 4.308 20 0 IIADMN Clc1ccc2ccc(Cl)c(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2n1 ZINC001164880449 721179501 /nfs/dbraw/zinc/17/95/01/721179501.db2.gz WRWJLQXFKQCNCA-ZWKOTPCHSA-N 0 1 429.351 4.416 20 0 IIADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3nnc(Cl)c4ccsc43)C2)C1 ZINC001164776745 721341951 /nfs/dbraw/zinc/34/19/51/721341951.db2.gz CMDRTQKGXLVTCD-NRFANRHFSA-N 0 1 447.992 4.069 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3ccc(F)cc32)[C@@H]2CCCO[C@H]12 ZINC001164800671 721541895 /nfs/dbraw/zinc/54/18/95/721541895.db2.gz DCKKEDVAXWNXAQ-SJBKTWHCSA-N 0 1 426.923 4.291 20 0 IIADMN COc1cnc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c2cc(Cl)ccc12 ZINC001164810499 721554873 /nfs/dbraw/zinc/55/48/73/721554873.db2.gz YNJWFHKOGZJWOL-FUPPJEDESA-N 0 1 438.959 4.160 20 0 IIADMN COc1ccc2c(cc(Cl)nc2N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164805837 721567496 /nfs/dbraw/zinc/56/74/96/721567496.db2.gz PCGKNDJLVYRFKR-FUDKSRODSA-N 0 1 438.959 4.160 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2ccc3c(Cl)ccc(F)c3n2)[C@@H]2CCCO[C@H]12 ZINC001164800080 721588831 /nfs/dbraw/zinc/58/88/31/721588831.db2.gz BNZHWPOKHKHLSI-VIZSFHNOSA-N 0 1 426.923 4.291 20 0 IIADMN FC1(F)CCN(c2cnc3c(Cl)cccc3n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164906134 721698595 /nfs/dbraw/zinc/69/85/95/721698595.db2.gz LTLPLKMALJOGPJ-OAQYLSRUSA-N 0 1 429.902 4.416 20 0 IIADMN FC1(F)CCN(c2cnc3ccc(Cl)cc3n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164905448 721700750 /nfs/dbraw/zinc/70/07/50/721700750.db2.gz JICYZCWXIVJGPQ-OAQYLSRUSA-N 0 1 429.902 4.416 20 0 IIADMN FC1(F)CCN(c2nccnc2Oc2ccccc2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164911233 721732462 /nfs/dbraw/zinc/73/24/62/721732462.db2.gz JAUVTWQIRZFRPU-HSZRJFAPSA-N 0 1 437.494 4.402 20 0 IIADMN CN(C)C(=O)CN1CCC2(CCCN2c2cc(-c3ccccc3)c3ccccc3n2)CC1 ZINC001165009425 721743801 /nfs/dbraw/zinc/74/38/01/721743801.db2.gz CQRAKXWCSRCSLY-UHFFFAOYSA-N 0 1 428.580 4.425 20 0 IIADMN COc1nnc(Cl)cc1C(F)(F)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165014210 721768369 /nfs/dbraw/zinc/76/83/69/721768369.db2.gz FDDDQLSJHXGANH-UHFFFAOYSA-N 0 1 431.830 4.195 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2ccc3nccc(Cl)c3n2)CC1 ZINC001165020227 721843045 /nfs/dbraw/zinc/84/30/45/721843045.db2.gz ADNGCBQBGNPNGI-UHFFFAOYSA-N 0 1 426.948 4.401 20 0 IIADMN CCc1c(Cl)nnc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)c1CC ZINC001164938897 721926667 /nfs/dbraw/zinc/92/66/67/721926667.db2.gz AFHBCRBTUNZHGY-UHFFFAOYSA-N 0 1 429.008 4.435 20 0 IIADMN COc1ccc2nc(N3CCC4(CC3)CN(Cc3ccc(C)cc3)CCO4)nc(C)c2c1 ZINC001164938649 721927917 /nfs/dbraw/zinc/92/79/17/721927917.db2.gz CQXJFCCJTSVIKI-UHFFFAOYSA-N 0 1 432.568 4.127 20 0 IIADMN Cc1nc(C)c(-c2ccc(N3CCC4(CC3)CN(Cc3ccc(C)cc3)CCO4)nn2)s1 ZINC001164940663 721932436 /nfs/dbraw/zinc/93/24/36/721932436.db2.gz WGQHWFQIJZCUQP-UHFFFAOYSA-N 0 1 449.624 4.397 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4cncc(-c5ccc(F)cc5)n4)CC3)C2)cc1 ZINC001164942327 721933026 /nfs/dbraw/zinc/93/30/26/721933026.db2.gz LNFOJAKISBRMQO-UHFFFAOYSA-N 0 1 432.543 4.463 20 0 IIADMN COc1ccc(-c2nc3ccc(F)cc3c(N3CCN(CCc4ccccn4)CC3)n2)cc1 ZINC001165053908 722010464 /nfs/dbraw/zinc/01/04/64/722010464.db2.gz OZRALPPJGFHOSM-UHFFFAOYSA-N 0 1 443.526 4.204 20 0 IIADMN Fc1cccc(CN2CC[C@]23CCCN(c2nc(Cl)nc4c(Cl)ncnc42)C3)c1 ZINC001164994349 722211216 /nfs/dbraw/zinc/21/12/16/722211216.db2.gz AXEQBHVSQFNOCA-FQEVSTJZSA-N 0 1 433.318 4.111 20 0 IIADMN C[N@H+]1CCC[C@H](CNC(=O)N[C@H](C(=O)[O-])c2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000780576634 939136910 /nfs/dbraw/zinc/13/69/10/939136910.db2.gz BTKJTQWZKAXGTR-HOJAQTOUSA-N 0 1 449.473 4.213 20 0 IIADMN C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C(=O)[O-])c2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000780576643 939137109 /nfs/dbraw/zinc/13/71/09/939137109.db2.gz BTKJTQWZKAXGTR-SXLOBPIMSA-N 0 1 449.473 4.213 20 0 IIADMN C[N@H+]1CCC[C@H](CNC(=O)NC2(C(=O)[O-])CCCCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000780576947 939137171 /nfs/dbraw/zinc/13/71/71/939137171.db2.gz CLGDVQMZGDQPDE-AEFFLSMTSA-N 0 1 441.494 4.175 20 0 IIADMN C[C@@H](CC(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1C(F)(F)F ZINC001123268544 939817891 /nfs/dbraw/zinc/81/78/91/939817891.db2.gz SJAZQDPLGCANLM-GAJHUEQPSA-N 0 1 448.485 4.435 20 0 IIADMN C[C@H](CC(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC001123268183 939817968 /nfs/dbraw/zinc/81/79/68/939817968.db2.gz PVOBXBSPRVEXRN-HXOBKFHXSA-N 0 1 448.485 4.435 20 0 IIADMN COc1ccc2sc(C(=O)N[C@]3(C(=O)[O-])CCC[N@@H+](Cc4ccccc4)C3)c(C)c2c1 ZINC001123372358 939822367 /nfs/dbraw/zinc/82/23/67/939822367.db2.gz MIBHOGSQDFLAIV-XMMPIXPASA-N 0 1 438.549 4.068 20 0 IIADMN O=C([O-])[C@@H](Cc1c[nH]c2cccc(Br)c12)[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000426759536 1126088567 /nfs/dbraw/zinc/08/85/67/1126088567.db2.gz NGXKLTJFSBLLAR-GOSISDBHSA-N 0 1 439.313 4.106 20 0 IIADMN C[C@@](CO)(Cc1ccc(Cl)cc1)NCc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 ZINC001308117410 1126163327 /nfs/dbraw/zinc/16/33/27/1126163327.db2.gz JDCRXPPYVUKNQO-IBGZPJMESA-N 0 1 425.838 4.091 20 0 IIADMN C[C@@](CO)(Cc1ccc(Cl)cc1)NCc1cc2c(cc1Br)OCCCO2 ZINC001560182092 1126208282 /nfs/dbraw/zinc/20/82/82/1126208282.db2.gz ABYSMFBLDPTCFL-FQEVSTJZSA-N 0 1 440.765 4.347 20 0 IIADMN Cc1nc(CN2CCCC23CCN(c2ccnc(NC(=O)OC(C)(C)C)n2)CC3)cs1 ZINC001164692475 719806336 /nfs/dbraw/zinc/80/63/36/719806336.db2.gz HWHNRVHHMMVZOI-UHFFFAOYSA-N 0 1 444.605 4.224 20 0 IIADMN CCOC(=O)c1cnc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)c(Cl)c1 ZINC001164694524 719809260 /nfs/dbraw/zinc/80/92/60/719809260.db2.gz ZLVUTURUGCYKSA-UHFFFAOYSA-N 0 1 434.993 4.312 20 0 IIADMN COC(=O)c1cc2ccccc2c(N2CCC3(CCCN3Cc3csc(C)n3)CC2)n1 ZINC001164692186 719814795 /nfs/dbraw/zinc/81/47/95/719814795.db2.gz NIBRGTDFXBRPBU-UHFFFAOYSA-N 0 1 436.581 4.421 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(-c3ccccn3)nc3sccc31)[C@H]2C ZINC001164858816 721015088 /nfs/dbraw/zinc/01/50/88/721015088.db2.gz HMSDKZNTYVKQPK-INIZCTEOSA-N 0 1 433.585 4.371 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)[C@H]2C ZINC001164860926 721017026 /nfs/dbraw/zinc/01/70/26/721017026.db2.gz LVEYTJVFWQBEJL-HNNXBMFYSA-N 0 1 433.984 4.308 20 0 IIADMN FC(F)(c1cc2ccccc2nc1Cl)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866651 721115064 /nfs/dbraw/zinc/11/50/64/721115064.db2.gz UNHVTTFRYXEDQE-OALUTQOASA-N 0 1 444.913 4.308 20 0 IIADMN FC(F)(c1cccc2c(Cl)nccc21)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866707 721118212 /nfs/dbraw/zinc/11/82/12/721118212.db2.gz USRJRDLEHSLTKY-ROUUACIJSA-N 0 1 444.913 4.308 20 0 IIADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ncnc4c(Cl)cccc43)C2)C1 ZINC001164779031 721341061 /nfs/dbraw/zinc/34/10/61/721341061.db2.gz PBZXYJKFDSSOKR-QHCPKHFHSA-N 0 1 441.963 4.007 20 0 IIADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cc(Cl)nc4ncccc34)C2)C1 ZINC001164779370 721347175 /nfs/dbraw/zinc/34/71/75/721347175.db2.gz SRBFUTOOMCBRAY-QHCPKHFHSA-N 0 1 441.963 4.007 20 0 IIADMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4c(Cl)ccc5ccc(Cl)nc54)C3)O2)CC1 ZINC001164884332 721447909 /nfs/dbraw/zinc/44/79/09/721447909.db2.gz ASCGMSYXRFHVQH-JPYJTQIMSA-N 0 1 449.426 4.307 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccnc(Cl)c3)ccn2)[C@@H]2CCCO[C@@H]12 ZINC001164808942 721539819 /nfs/dbraw/zinc/53/98/19/721539819.db2.gz SNJNKXIAODVESJ-PQNGQFLHSA-N 0 1 435.959 4.060 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3ccc(F)cc32)[C@H]2CCCO[C@@H]12 ZINC001164800675 721541659 /nfs/dbraw/zinc/54/16/59/721541659.db2.gz DCKKEDVAXWNXAQ-TUNNFDKTSA-N 0 1 426.923 4.291 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c(F)cccc23)[C@@H]2CCCO[C@@H]12 ZINC001164808336 721589848 /nfs/dbraw/zinc/58/98/48/721589848.db2.gz QSSNSKSGXPBQPB-KKLQWCBXSA-N 0 1 426.923 4.291 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c(F)cccc23)[C@@H]2CCCO[C@H]12 ZINC001164808338 721589922 /nfs/dbraw/zinc/58/99/22/721589922.db2.gz QSSNSKSGXPBQPB-XQFWAAQXSA-N 0 1 426.923 4.291 20 0 IIADMN FC1(F)CCN(c2cnc3cccc(Cl)c3n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164904068 721692811 /nfs/dbraw/zinc/69/28/11/721692811.db2.gz CVDKPUABICLWDF-NRFANRHFSA-N 0 1 429.902 4.416 20 0 IIADMN FC1(F)CCN(c2nc3ccccc3nc2Cl)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164907048 721698019 /nfs/dbraw/zinc/69/80/19/721698019.db2.gz QNBQANWTJGAEJT-NRFANRHFSA-N 0 1 429.902 4.416 20 0 IIADMN FC1(F)CCN(c2cnc3cc(Cl)ccc3n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164905667 721698337 /nfs/dbraw/zinc/69/83/37/721698337.db2.gz KJNDAJPGCMWVLI-OAQYLSRUSA-N 0 1 429.902 4.416 20 0 IIADMN Cc1ccc(-c2ccc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)nn2)o1 ZINC001164913786 721730800 /nfs/dbraw/zinc/73/08/00/721730800.db2.gz XRXWKIQZXCOQHJ-QFIPXVFZSA-N 0 1 425.483 4.178 20 0 IIADMN Cc1ccc(-c2nnc(N3CCCC34CCN(CC(=O)N(C)C)CC4)c3ccccc32)cc1 ZINC001165010546 721744476 /nfs/dbraw/zinc/74/44/76/721744476.db2.gz OKAIAIXGFUHJAB-UHFFFAOYSA-N 0 1 443.595 4.128 20 0 IIADMN O=C1Nc2c(cccc2F)C12CCN(c1ccc3c(n1)CCN(Cc1ccccc1)C3)CC2 ZINC001165024143 721832899 /nfs/dbraw/zinc/83/28/99/721832899.db2.gz ZRNDVNWXJDEUAW-UHFFFAOYSA-N 0 1 442.538 4.269 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2ccc3cc(Cl)cnc3n2)CC1 ZINC001165019382 721840384 /nfs/dbraw/zinc/84/03/84/721840384.db2.gz FIKXZVQYWIGQFI-UHFFFAOYSA-N 0 1 426.948 4.401 20 0 IIADMN CCOc1ccc2ncnc(N(C)C3CCN(Cc4c(OC)cccc4OC)CC3)c2c1 ZINC001165021213 721841584 /nfs/dbraw/zinc/84/15/84/721841584.db2.gz ICWGGOKLEWRGTQ-UHFFFAOYSA-N 0 1 436.556 4.147 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2c(C)nc(C3CC3)nc2Cl)CC1 ZINC001165022794 721843820 /nfs/dbraw/zinc/84/38/20/721843820.db2.gz UUXBHLPGVBZYOA-UHFFFAOYSA-N 0 1 430.980 4.434 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2cc(-c3nc(C4CC4)no3)ccn2)CC1 ZINC001165029787 721844907 /nfs/dbraw/zinc/84/49/07/721844907.db2.gz CZZIVMZJYQOAKF-UHFFFAOYSA-N 0 1 449.555 4.127 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4nnc(Cl)c5c4CCCC5)CC3)C2)cc1 ZINC001164939299 721925477 /nfs/dbraw/zinc/92/54/77/721925477.db2.gz HAGVHEPXAFUFQJ-UHFFFAOYSA-N 0 1 426.992 4.189 20 0 IIADMN COc1cc2ccc(N3CCC4(CC3)CN(Cc3ccc(C)cc3)CCO4)nc2cc1OC ZINC001164938992 721928010 /nfs/dbraw/zinc/92/80/10/721928010.db2.gz GEESPKVRSBTZGQ-UHFFFAOYSA-N 0 1 447.579 4.432 20 0 IIADMN CCCSc1ncnc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)c1OC ZINC001164940799 721933823 /nfs/dbraw/zinc/93/38/23/721933823.db2.gz FCORCQZHRGXQGC-UHFFFAOYSA-N 0 1 442.629 4.167 20 0 IIADMN C[N@H+]1CCC[C@@H](CNC(=O)N[C@H](C(=O)[O-])c2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000780576645 939137137 /nfs/dbraw/zinc/13/71/37/939137137.db2.gz BTKJTQWZKAXGTR-YSIASYRMSA-N 0 1 449.473 4.213 20 0 IIADMN C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001123268812 939817472 /nfs/dbraw/zinc/81/74/72/939817472.db2.gz UFMSBENQDTWNLO-OPAMFIHVSA-N 0 1 432.973 4.056 20 0 IIADMN C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001123268811 939817531 /nfs/dbraw/zinc/81/75/31/939817531.db2.gz UFMSBENQDTWNLO-KSFYIVLOSA-N 0 1 432.973 4.056 20 0 IIADMN O=C([O-])[C@H](Cc1c[nH]c2ccc(Br)cc12)[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000426805014 1126091513 /nfs/dbraw/zinc/09/15/13/1126091513.db2.gz XZRCDDIQFYENIW-IBGZPJMESA-N 0 1 439.313 4.106 20 0 IIADMN COc1cc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c(F)cc1Br ZINC001177822931 1126150595 /nfs/dbraw/zinc/15/05/95/1126150595.db2.gz PPXOXEGSUSNUBX-RDJZCZTQSA-N 0 1 436.243 4.221 20 0 IIADMN Cc1ccc(-c2nc(CN[C@]3(CO)CCc4cc(Br)ccc4C3)cs2)o1 ZINC001307929073 1126162031 /nfs/dbraw/zinc/16/20/31/1126162031.db2.gz KZLRDBZZWUJCFG-HXUWFJFHSA-N 0 1 433.371 4.484 20 0 IIADMN COC(=O)c1cccc(-c2nc(CN[C@](C)(CO)Cc3ccc(Cl)cc3)cs2)c1 ZINC001308117816 1126163531 /nfs/dbraw/zinc/16/35/31/1126163531.db2.gz MYUGOCACWBLGMG-QFIPXVFZSA-N 0 1 430.957 4.333 20 0 IIADMN CCOc1cc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)ccc1OC(=O)CC ZINC001308263544 1126164614 /nfs/dbraw/zinc/16/46/14/1126164614.db2.gz DUWLEIBQHMQLHY-DYESRHJHSA-N 0 1 425.447 4.025 20 0 IIADMN C[C@](CO)(Cc1ccc(Br)cc1)NCc1cc(Br)cnc1Cl ZINC001308479734 1126166698 /nfs/dbraw/zinc/16/66/98/1126166698.db2.gz LPVXQHJSHZAMDD-MRXNPFEDSA-N 0 1 448.586 4.343 20 0 IIADMN C[C@](CO)(Cc1ccc(Br)cc1)NCc1nc(Cl)ccc1Br ZINC001308480091 1126166791 /nfs/dbraw/zinc/16/67/91/1126166791.db2.gz QPNZFSXQKLBVPE-MRXNPFEDSA-N 0 1 448.586 4.343 20 0 IIADMN O[C@@H]([C@@H](Cc1ccccc1)NCc1ccc(OCc2ccccc2F)nc1)C(F)(F)F ZINC001460688718 1126191423 /nfs/dbraw/zinc/19/14/23/1126191423.db2.gz FUNRUCSNXZIBOT-IRLDBZIGSA-N 0 1 434.433 4.424 20 0 IIADMN C[C@](CO)(Cc1ccc(Cl)cc1)NCc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC001473839835 1126200100 /nfs/dbraw/zinc/20/01/00/1126200100.db2.gz KRGKAKSJVZASRU-OAQYLSRUSA-N 0 1 429.929 4.394 20 0 IIADMN COc1ccc(C[C@](C)(CO)NCc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)cc1 ZINC001620624525 1126241825 /nfs/dbraw/zinc/24/18/25/1126241825.db2.gz ZCDZSOVXQKAVBN-XMMPIXPASA-N 0 1 435.549 4.156 20 0 IIADMN COc1ccc(C[C@](C)(CO)NCc2coc(-c3ccc(Br)cc3)n2)cc1 ZINC001620623632 1126241195 /nfs/dbraw/zinc/24/11/95/1126241195.db2.gz CWYKYDOAZMNNRF-OAQYLSRUSA-N 0 1 431.330 4.196 20 0 IIADMN Cc1nc(CN2CCCC23CCN(c2cncc(OCC4CCCC4)n2)CC3)cs1 ZINC001164702647 719816535 /nfs/dbraw/zinc/81/65/35/719816535.db2.gz SRMNICPKNVLUME-UHFFFAOYSA-N 0 1 427.618 4.446 20 0 IIADMN Cc1nc(CN2CCCC23CCN(c2ncc(C(N)=S)c4ccsc42)CC3)cs1 ZINC001164702961 719816972 /nfs/dbraw/zinc/81/69/72/719816972.db2.gz UAQRDWJDCLGZAU-UHFFFAOYSA-N 0 1 443.667 4.330 20 0 IIADMN c1csc(CN2CCOC3(CCN(c4ncc5c(n4)-c4ccccc4CC5)CC3)C2)c1 ZINC001164697593 719896085 /nfs/dbraw/zinc/89/60/85/719896085.db2.gz LUGGGKBQJHMTDA-UHFFFAOYSA-N 0 1 432.593 4.175 20 0 IIADMN Cc1cc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)nc(-c2cccs2)n1 ZINC001164707715 719899390 /nfs/dbraw/zinc/89/93/90/719899390.db2.gz VZMQLAYOQHQKIK-UHFFFAOYSA-N 0 1 426.611 4.446 20 0 IIADMN CCc1nc(Cl)nc(Cl)c1N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164706710 719905905 /nfs/dbraw/zinc/90/59/05/719905905.db2.gz JZSLYOPEETYHDU-UHFFFAOYSA-N 0 1 427.401 4.279 20 0 IIADMN Fc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c1 ZINC001164722944 720477593 /nfs/dbraw/zinc/47/75/93/720477593.db2.gz BHCJYIKVIHTHDQ-MOPGFXCFSA-N 0 1 425.895 4.310 20 0 IIADMN CCOc1cc2ncnc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)c2cc1OCC ZINC001164856972 720963165 /nfs/dbraw/zinc/96/31/65/720963165.db2.gz DFKLUAUAWZHERR-KRWDZBQOSA-N 0 1 438.576 4.045 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc(C(=O)OCc3ccccc3)cn1)[C@@H]2C ZINC001164856441 721009135 /nfs/dbraw/zinc/00/91/35/721009135.db2.gz AIJQRUDCOVQMKM-LJQANCHMSA-N 0 1 433.556 4.057 20 0 IIADMN FC(F)(c1ccc2ccnc(Cl)c2c1)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865532 721077985 /nfs/dbraw/zinc/07/79/85/721077985.db2.gz MLSXUSGZMNFOJV-VQTJNVASSA-N 0 1 444.913 4.308 20 0 IIADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4ccc5ccc(Cl)nc5c4)C[C@@H]3C2)cn1 ZINC001164772228 721114066 /nfs/dbraw/zinc/11/40/66/721114066.db2.gz UNAVBKOTMZRMGA-ROUUACIJSA-N 0 1 431.918 4.125 20 0 IIADMN CC(C)(c1ccnc(Cl)c1)N1CC[C@]2(C1)CCC[C@@H](CNC(=O)c1ccccc1)O2 ZINC001164878853 721259840 /nfs/dbraw/zinc/25/98/40/721259840.db2.gz VTMMUMUSWGULBI-RDPSFJRHSA-N 0 1 427.976 4.414 20 0 IIADMN CSc1cc(Cl)ncc1N1CCC[C@]2(C1)COCCN(Cc1c(C)noc1C)C2 ZINC001164777298 721346037 /nfs/dbraw/zinc/34/60/37/721346037.db2.gz FUERDCMMZNHVCX-NRFANRHFSA-N 0 1 437.009 4.181 20 0 IIADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ncnc4ccc(C(C)C)cc43)C2)C1 ZINC001164786196 721367733 /nfs/dbraw/zinc/36/77/33/721367733.db2.gz WSNZUHILNMQDGY-SANMLTNESA-N 0 1 449.599 4.477 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccnc(Cl)c3)ccn2)[C@@H]2CCCO[C@H]12 ZINC001164808940 721540090 /nfs/dbraw/zinc/54/00/90/721540090.db2.gz SNJNKXIAODVESJ-LGVFNWMJSA-N 0 1 435.959 4.060 20 0 IIADMN Fc1cccc(O[C@@H]2C[C@H]3CN(C(F)(F)c4ccc5cnc(Cl)nc5c4)CCN3C2)c1 ZINC001164907141 721541744 /nfs/dbraw/zinc/54/17/44/721541744.db2.gz MGHPCJDWMMWTOT-PKOBYXMFSA-N 0 1 448.876 4.309 20 0 IIADMN CCOC(=O)c1cnc(Cl)cc1N(C)C1CCN(Cc2c(OC)cccc2OC)CC1 ZINC001165017314 721837805 /nfs/dbraw/zinc/83/78/05/721837805.db2.gz KEMQKTZEASJPAC-UHFFFAOYSA-N 0 1 447.963 4.030 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2cc(Oc3ccccc3)ncn2)CC1 ZINC001165022160 721839029 /nfs/dbraw/zinc/83/90/29/721839029.db2.gz PTGWOXJRPQSFPO-UHFFFAOYSA-N 0 1 434.540 4.387 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2nccc(Oc3ccccc3)n2)CC1 ZINC001165022136 721839677 /nfs/dbraw/zinc/83/96/77/721839677.db2.gz PIFHQXGARORUEW-UHFFFAOYSA-N 0 1 434.540 4.387 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2csc3ncnc(Cl)c23)CC1 ZINC001165023461 721839772 /nfs/dbraw/zinc/83/97/72/721839772.db2.gz YMVBQYHAOQSQEI-UHFFFAOYSA-N 0 1 432.977 4.463 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2cncc(-c3ccc(F)cc3)n2)CC1 ZINC001165031190 721845085 /nfs/dbraw/zinc/84/50/85/721845085.db2.gz XJTXNBFMTCKSGH-UHFFFAOYSA-N 0 1 436.531 4.401 20 0 IIADMN COc1cc(C)c2ncnc(N(C)C3CCN(Cc4c(OC)cccc4OC)CC3)c2c1 ZINC001165030315 721845508 /nfs/dbraw/zinc/84/55/08/721845508.db2.gz HNVUXKOXILNEDH-UHFFFAOYSA-N 0 1 436.556 4.065 20 0 IIADMN CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CCN(C[C@@H]2CCCO2)CC1 ZINC001165036477 721914035 /nfs/dbraw/zinc/91/40/35/721914035.db2.gz CWYDTSQRGKZOQN-KRWDZBQOSA-N 0 1 447.938 4.019 20 0 IIADMN COC(=O)c1ccc2c(ccnc2N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)c1 ZINC001164939297 721925412 /nfs/dbraw/zinc/92/54/12/721925412.db2.gz GXRMIFZMBQEOAE-UHFFFAOYSA-N 0 1 445.563 4.201 20 0 IIADMN COc1ccc(-c2cc(N3CCC4(CC3)CN(Cc3ccc(C)cc3)CCO4)ncn2)cc1 ZINC001164939523 721931272 /nfs/dbraw/zinc/93/12/72/721931272.db2.gz LWYRNILXYXDLTH-UHFFFAOYSA-N 0 1 444.579 4.332 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4ccc(-c5ccccc5F)nn4)CC3)C2)cc1 ZINC001164940688 721931806 /nfs/dbraw/zinc/93/18/06/721931806.db2.gz WZTZHWDHHDTPSN-UHFFFAOYSA-N 0 1 432.543 4.463 20 0 IIADMN Cc1cccc2c1nc(Cl)nc2N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164963867 722054949 /nfs/dbraw/zinc/05/49/49/722054949.db2.gz OXRZOQMQDLBTNZ-UHFFFAOYSA-N 0 1 437.975 4.106 20 0 IIADMN C[N@H+]1CCC[C@H](CNC(=O)NC2(C(=O)[O-])CCCCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000780576950 939136971 /nfs/dbraw/zinc/13/69/71/939136971.db2.gz CLGDVQMZGDQPDE-SJLPKXTDSA-N 0 1 441.494 4.175 20 0 IIADMN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001123267482 939816724 /nfs/dbraw/zinc/81/67/24/939816724.db2.gz IHUNOEGFCQYIPW-RXFWQSSRSA-N 0 1 438.568 4.121 20 0 IIADMN O=C([O-])[C@]1(NC(=O)Cc2cc3c(ccc4ccccc34)o2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001123270587 939818828 /nfs/dbraw/zinc/81/88/28/939818828.db2.gz JJGSIEVEADMTCQ-MHZLTWQESA-N 0 1 442.515 4.364 20 0 IIADMN CC(C)(C)OC(=O)Nc1ncc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)s1 ZINC000800238817 1126110488 /nfs/dbraw/zinc/11/04/88/1126110488.db2.gz JQNDKWYKCHQHSD-HUUCEWRRSA-N 0 1 431.480 4.114 20 0 IIADMN COc1ccc(C[C@@](C)(CO)NCc2ncc(-c3ccc(Br)cc3)o2)cc1 ZINC001176587220 1126149681 /nfs/dbraw/zinc/14/96/81/1126149681.db2.gz HQBAGXBPOWFUPL-NRFANRHFSA-N 0 1 431.330 4.196 20 0 IIADMN Cc1ccccc1NC(=O)Cc1nc(CN[C@](C)(CO)Cc2ccc(Cl)cc2)cs1 ZINC001176596566 1126150082 /nfs/dbraw/zinc/15/00/82/1126150082.db2.gz BBYQKMKZFIHROC-QHCPKHFHSA-N 0 1 444.000 4.369 20 0 IIADMN Cc1ccc(-c2cnc(CN[C@@]3(CO)CCc4cc(Br)ccc4C3)o2)cc1 ZINC001473641332 1126198146 /nfs/dbraw/zinc/19/81/46/1126198146.db2.gz LXWASMCWQHMYQV-QFIPXVFZSA-N 0 1 427.342 4.422 20 0 IIADMN COc1cccc(-c2nc(CN[C@](C)(CO)Cc3ccc(Br)cc3)co2)c1 ZINC001473840196 1126200621 /nfs/dbraw/zinc/20/06/21/1126200621.db2.gz SGYVBQVHUZBLMA-NRFANRHFSA-N 0 1 431.330 4.196 20 0 IIADMN Cc1ccc(-c2csc3nc(-c4ccncc4)nc(N4C[C@H]5OCCN(C)[C@H]5C4)c23)cc1 ZINC001164666893 719446426 /nfs/dbraw/zinc/44/64/26/719446426.db2.gz DSSXQMQNQNZCME-LEWJYISDSA-N 0 1 443.576 4.248 20 0 IIADMN Cc1nc(CN2CCCC23CCN(c2nc(Cl)nc4c2COC4(C)C)CC3)cs1 ZINC001164692803 719806420 /nfs/dbraw/zinc/80/64/20/719806420.db2.gz NEGKTVNTHMJMSI-UHFFFAOYSA-N 0 1 434.009 4.295 20 0 IIADMN Cc1nc(C(F)(F)N2CCC3(CC2)CN(Cc2cccs2)CCO3)nc(Cl)c1C ZINC001164699330 719895472 /nfs/dbraw/zinc/89/54/72/719895472.db2.gz ZYRKUJCUJYMSCK-UHFFFAOYSA-N 0 1 442.963 4.225 20 0 IIADMN FC(F)(Oc1ccnc(Cl)c1)N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164707691 719907251 /nfs/dbraw/zinc/90/72/51/719907251.db2.gz UZNFPFVOTYERBY-UHFFFAOYSA-N 0 1 429.920 4.093 20 0 IIADMN Fc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164732042 720476700 /nfs/dbraw/zinc/47/67/00/720476700.db2.gz YIPIAFBWSHIOHR-QZTJIDSGSA-N 0 1 425.895 4.310 20 0 IIADMN FC(F)c1nc2ccc(Cl)cc2c(N2CCc3ncc(CN4CCCC4)n3CC2)n1 ZINC001164736090 720590484 /nfs/dbraw/zinc/59/04/84/720590484.db2.gz BFPOZSHROBEMEQ-UHFFFAOYSA-N 0 1 432.906 4.076 20 0 IIADMN CSc1nc(Cl)cc(C(F)(F)N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164863941 720927595 /nfs/dbraw/zinc/92/75/95/720927595.db2.gz ZWVBKJOJURGVJK-LBPRGKRZSA-N 0 1 430.956 4.015 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(-c3cccnc3)nc3ccccc31)[C@@H]2C ZINC001164859659 721001989 /nfs/dbraw/zinc/00/19/89/721001989.db2.gz KYACPZIVWUTOCT-GOSISDBHSA-N 0 1 427.556 4.310 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(c1ncc(C(=O)OC(C)(C)C)cc1Cl)[C@@H]2C ZINC001164860928 721016659 /nfs/dbraw/zinc/01/66/59/721016659.db2.gz LVEYTJVFWQBEJL-OAHLLOKOSA-N 0 1 433.984 4.308 20 0 IIADMN FC(F)(c1cc2ccccc2nc1Cl)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866653 721113502 /nfs/dbraw/zinc/11/35/02/721113502.db2.gz UNHVTTFRYXEDQE-RTBURBONSA-N 0 1 444.913 4.308 20 0 IIADMN FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868855 721195100 /nfs/dbraw/zinc/19/51/00/721195100.db2.gz OGEYTZZPBZCJCY-OALUTQOASA-N 0 1 434.918 4.032 20 0 IIADMN FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868857 721195789 /nfs/dbraw/zinc/19/57/89/721195789.db2.gz OGEYTZZPBZCJCY-RTBURBONSA-N 0 1 434.918 4.032 20 0 IIADMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccco5)c4)C[C@H]3C2)cn1 ZINC001164760719 721248522 /nfs/dbraw/zinc/24/85/22/721248522.db2.gz GHZKTCHNSIYOFA-IAGOWNOFSA-N 0 1 447.917 4.232 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)cc3cc(F)ccc32)[C@H]2CCCO[C@@H]12 ZINC001164796524 721524817 /nfs/dbraw/zinc/52/48/17/721524817.db2.gz ZKIMPZFUSZKBEW-TUNNFDKTSA-N 0 1 426.923 4.291 20 0 IIADMN CC(C)(C)OC(=O)c1ccnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164905621 721587522 /nfs/dbraw/zinc/58/75/22/721587522.db2.gz KGLIZPQLPNQUFB-HSZRJFAPSA-N 0 1 444.526 4.170 20 0 IIADMN FC1(F)CCN(c2cc(Oc3ccccc3)ncn2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164905353 721691453 /nfs/dbraw/zinc/69/14/53/721691453.db2.gz IRNIENGUWPBDGY-HSZRJFAPSA-N 0 1 437.494 4.402 20 0 IIADMN CC1(C)OCc2c1nc(Cl)nc2N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164907114 721695207 /nfs/dbraw/zinc/69/52/07/721695207.db2.gz SDHQQVBYUJQMRZ-OAQYLSRUSA-N 0 1 449.933 4.028 20 0 IIADMN FC1(F)CCN(c2cncc(OCC3CCCC3)n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164912879 721735985 /nfs/dbraw/zinc/73/59/85/721735985.db2.gz QVLOGUIFXWBBMV-HSZRJFAPSA-N 0 1 443.542 4.178 20 0 IIADMN FC(F)(COc1ccc(Cl)nn1)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165015004 721768258 /nfs/dbraw/zinc/76/82/58/721768258.db2.gz LOQKHOJRAKUOGI-UHFFFAOYSA-N 0 1 431.830 4.109 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncnc3ccc(Cl)cc32)CC1 ZINC001165021316 721839062 /nfs/dbraw/zinc/83/90/62/721839062.db2.gz LLBVJHBMVLWHCV-UHFFFAOYSA-N 0 1 426.948 4.401 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncc3c(Cl)cccc3n2)CC1 ZINC001165021234 721841502 /nfs/dbraw/zinc/84/15/02/721841502.db2.gz IUPUAPCPELCHQK-UHFFFAOYSA-N 0 1 426.948 4.401 20 0 IIADMN COC(=O)c1ccc2cc(N(C)C3CCN(Cc4c(OC)cccc4OC)CC3)ncc2c1 ZINC001165022023 721843019 /nfs/dbraw/zinc/84/30/19/721843019.db2.gz MVMZJXHYYYKHIE-UHFFFAOYSA-N 0 1 449.551 4.139 20 0 IIADMN Fc1ccc(-c2nnc(N3CCN(CCc4ccccn4)CC3)c3ccccc32)cc1F ZINC001165055630 722017296 /nfs/dbraw/zinc/01/72/96/722017296.db2.gz RPTXJTXQTZIXFB-UHFFFAOYSA-N 0 1 431.490 4.335 20 0 IIADMN Clc1nc(Cl)c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c(C2CC2)n1 ZINC001164965606 722062548 /nfs/dbraw/zinc/06/25/48/722062548.db2.gz KZXVXVVAIFYNAZ-UHFFFAOYSA-N 0 1 448.398 4.175 20 0 IIADMN Cc1sc2nc(-c3cccs3)nc(N3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)c2c1C ZINC001164966552 722075792 /nfs/dbraw/zinc/07/57/92/722075792.db2.gz APQFLNNWFPECSI-CALCHBBNSA-N 0 1 426.611 4.336 20 0 IIADMN Clc1ccc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c(Cl)nc2c1 ZINC001164975006 722110242 /nfs/dbraw/zinc/11/02/42/722110242.db2.gz JFBDYWWBKRNOLN-UZLBHIALSA-N 0 1 444.366 4.059 20 0 IIADMN CC[C@H](C)Oc1ccccc1/C=C/C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001123372736 939822680 /nfs/dbraw/zinc/82/26/80/939822680.db2.gz SKYYIAWQWPATDG-FVJYCXJKSA-N 0 1 436.552 4.113 20 0 IIADMN CC(C)(C)OC(=O)Nc1ccc(CN[C@H](Cc2ccccc2)[C@H](O)C(F)(F)F)cn1 ZINC000756118022 1126106969 /nfs/dbraw/zinc/10/69/69/1126106969.db2.gz JXWVUKDOQDCFSR-AEFFLSMTSA-N 0 1 425.451 4.053 20 0 IIADMN C[C@@](CO)(Cc1ccc(Br)cc1)NCc1cccc(O)c1Br ZINC001308478791 1126166177 /nfs/dbraw/zinc/16/61/77/1126166177.db2.gz BTZGIBIDOVHZMV-KRWDZBQOSA-N 0 1 429.152 4.001 20 0 IIADMN COc1ccc(C[C@@](C)(CO)NCc2ncc(-c3cccc(Br)c3)o2)cc1 ZINC001460858336 1126192478 /nfs/dbraw/zinc/19/24/78/1126192478.db2.gz LALCVXSQEKNJJA-NRFANRHFSA-N 0 1 431.330 4.196 20 0 IIADMN COc1ccc(-c2cnc(CN[C@@](C)(CO)Cc3ccc(Br)cc3)o2)cc1 ZINC001473840175 1126200728 /nfs/dbraw/zinc/20/07/28/1126200728.db2.gz RZTIZGUCQWCKBH-OAQYLSRUSA-N 0 1 431.330 4.196 20 0 IIADMN COc1ccc(C[C@](C)(CO)NCc2ncc(-c3ccccc3Br)o2)cc1 ZINC001560183205 1126208747 /nfs/dbraw/zinc/20/87/47/1126208747.db2.gz WUXAIRZELHQKJU-OAQYLSRUSA-N 0 1 431.330 4.196 20 0 IIADMN Cc1nc(CN2CCCC23CCN(c2cc(C(=O)OC(C)(C)C)ccn2)CC3)cs1 ZINC001164691483 719805331 /nfs/dbraw/zinc/80/53/31/719805331.db2.gz IARXGCXHIBVMNP-UHFFFAOYSA-N 0 1 428.602 4.437 20 0 IIADMN Cc1nc(CN2CCCC23CCN(c2nccc(OCc4ccccc4)n2)CC3)cs1 ZINC001164691996 719808694 /nfs/dbraw/zinc/80/86/94/719808694.db2.gz DXKQIXQYYUGSQU-UHFFFAOYSA-N 0 1 435.597 4.456 20 0 IIADMN COc1cc2c(cc1F)ncnc2N1CCC2(CCCN2Cc2csc(C)n2)CC1 ZINC001164691287 719811132 /nfs/dbraw/zinc/81/11/32/719811132.db2.gz DLYDJSQRPMEWOW-UHFFFAOYSA-N 0 1 427.549 4.177 20 0 IIADMN COC(=O)c1ccc2cc(N3CCC4(CCCN4Cc4csc(C)n4)CC3)ncc2c1 ZINC001164691231 719812846 /nfs/dbraw/zinc/81/28/46/719812846.db2.gz BHRUAOUKQSEQNF-UHFFFAOYSA-N 0 1 436.581 4.421 20 0 IIADMN CSc1nc2sccc2c(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1 ZINC001164694962 719887367 /nfs/dbraw/zinc/88/73/67/719887367.db2.gz IMESFJAPIXJZFT-UHFFFAOYSA-N 0 1 432.640 4.346 20 0 IIADMN Cc1nc2sc3c(c2c(N2CCC4(CC2)CN(Cc2cccs2)CCO4)n1)CCC3 ZINC001164698346 719897593 /nfs/dbraw/zinc/89/75/93/719897593.db2.gz RSALPCVOYJQQDC-UHFFFAOYSA-N 0 1 440.638 4.421 20 0 IIADMN COc1ccccc1-c1ccc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)nn1 ZINC001164707283 719898520 /nfs/dbraw/zinc/89/85/20/719898520.db2.gz OCNVOTCHMLVIGV-UHFFFAOYSA-N 0 1 436.581 4.085 20 0 IIADMN Fc1ccc(Oc2nc(Cl)ncc2N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)cc1 ZINC001164726891 720444249 /nfs/dbraw/zinc/44/42/49/720444249.db2.gz CGFFSTSJMBTVGM-OALUTQOASA-N 0 1 425.895 4.310 20 0 IIADMN F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164730282 720458137 /nfs/dbraw/zinc/45/81/37/720458137.db2.gz JEJPNSSYUMXGSJ-XJUOHMSHSA-N 0 1 439.922 4.173 20 0 IIADMN O=C1CC[C@H]2[C@H](CCN2c2ccc3c(n2)CCN(Cc2ccccc2)C3)N1c1ccccc1 ZINC001164844805 720763584 /nfs/dbraw/zinc/76/35/84/720763584.db2.gz CZAFQADCCDOMMB-UIOOFZCWSA-N 0 1 438.575 4.414 20 0 IIADMN COc1ccc(Oc2cc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)nc(C)n2)cc1 ZINC001164857330 721015562 /nfs/dbraw/zinc/01/55/62/721015562.db2.gz DCLXTVYSPGXMMT-KRWDZBQOSA-N 0 1 436.560 4.204 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(-c3ccccn3)nc3sccc31)[C@@H]2C ZINC001164858817 721015585 /nfs/dbraw/zinc/01/55/85/721015585.db2.gz HMSDKZNTYVKQPK-MRXNPFEDSA-N 0 1 433.585 4.371 20 0 IIADMN FC(F)(c1ccc2c(ccnc2Cl)c1)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164879452 721167427 /nfs/dbraw/zinc/16/74/27/721167427.db2.gz SGNQNCCRFZUMHW-UXHICEINSA-N 0 1 444.913 4.308 20 0 IIADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ncnc4cc(Cl)ccc43)C2)C1 ZINC001164777438 721344955 /nfs/dbraw/zinc/34/49/55/721344955.db2.gz HDMXFJYHLUICLL-HSZRJFAPSA-N 0 1 441.963 4.007 20 0 IIADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(-c5ccccc5)cc(Cl)n4)C3)O2)CC1 ZINC001164889970 721410242 /nfs/dbraw/zinc/41/02/42/721410242.db2.gz RXPMQVFQAIMMHD-RCZVLFRGSA-N 0 1 441.019 4.167 20 0 IIADMN Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4ccc5c(Cl)ncnc5c4)CCN3C2)c1 ZINC001164900812 721519089 /nfs/dbraw/zinc/51/90/89/721519089.db2.gz UXVMQEMOBGIORU-WMZOPIPTSA-N 0 1 448.876 4.309 20 0 IIADMN Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4ccc5cnc(Cl)nc5c4)CCN3C2)c1 ZINC001164907139 721541218 /nfs/dbraw/zinc/54/12/18/721541218.db2.gz MGHPCJDWMMWTOT-MJGOQNOKSA-N 0 1 448.876 4.309 20 0 IIADMN Cc1nc(-c2ccccc2)nc(Cl)c1N1C[C@H](N(C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164800677 721581690 /nfs/dbraw/zinc/58/16/90/721581690.db2.gz CKSSDZCCHJXQCV-QNWVGRARSA-N 0 1 449.986 4.369 20 0 IIADMN CC[C@H](C)c1nc(Cl)c(C)c(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164808325 721588227 /nfs/dbraw/zinc/58/82/27/721588227.db2.gz QOTNQMHMGURCHE-LDTOTXGLSA-N 0 1 429.996 4.215 20 0 IIADMN Fc1ccc(-c2ccnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)n2)cc1 ZINC001164903557 721701083 /nfs/dbraw/zinc/70/10/83/721701083.db2.gz ABSLHCXUDVIXCA-QHCPKHFHSA-N 0 1 439.485 4.415 20 0 IIADMN Fc1ccccc1-c1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nn1 ZINC001164911752 721729950 /nfs/dbraw/zinc/72/99/50/721729950.db2.gz KEIATCQLIUKMGQ-QHCPKHFHSA-N 0 1 439.485 4.415 20 0 IIADMN COc1ccc2nc(N(C)C3CCN(Cc4c(OC)cccc4OC)CC3)c(C)nc2c1 ZINC001165021267 721844312 /nfs/dbraw/zinc/84/43/12/721844312.db2.gz KARGJGJGGYYILN-UHFFFAOYSA-N 0 1 436.556 4.065 20 0 IIADMN Clc1ccc(-c2ccc(C3OCCCO3)c(N3CCN(C[C@H]4CCCO4)CC3)c2)cn1 ZINC001165036208 721914839 /nfs/dbraw/zinc/91/48/39/721914839.db2.gz AEBCQWNBTBAFFL-HXUWFJFHSA-N 0 1 443.975 4.139 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4nc(C(C)(C)C)nc5[nH]ccc54)CC3)C2)cc1 ZINC001164940651 721929532 /nfs/dbraw/zinc/92/95/32/721929532.db2.gz VOFOUOBHAMZWLE-UHFFFAOYSA-N 0 1 433.600 4.435 20 0 IIADMN COc1cc(C)c2ncnc(N3CCC4(CC3)CN(Cc3ccc(C)cc3)CCO4)c2c1 ZINC001164941362 721933852 /nfs/dbraw/zinc/93/38/52/721933852.db2.gz HAPOUNXZVXDMAL-UHFFFAOYSA-N 0 1 432.568 4.127 20 0 IIADMN CC(C)(C)c1cc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2s1 ZINC001164975539 722107390 /nfs/dbraw/zinc/10/73/90/722107390.db2.gz CHZBJQCYCLTIDP-QUCCMNQESA-N 0 1 437.613 4.111 20 0 IIADMN Clc1cc(C2CCCCC2)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164971132 722154071 /nfs/dbraw/zinc/15/40/71/722154071.db2.gz ATWXYHDTESNOJM-RBBKRZOGSA-N 0 1 442.007 4.300 20 0 IIADMN Cc1cc(NC(=O)c2cccnc2N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)no1 ZINC001164995393 722207729 /nfs/dbraw/zinc/20/77/29/722207729.db2.gz NMTJNJVMUSUGTJ-DEOSSOPVSA-N 0 1 435.503 4.014 20 0 IIADMN Cc1cc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)nc(NC(=O)c2ccccc2)n1 ZINC001164996498 722211598 /nfs/dbraw/zinc/21/15/98/722211598.db2.gz NPZJSOWBPQVJOT-SANMLTNESA-N 0 1 445.542 4.421 20 0 IIADMN NC(=S)c1cnc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c2sccc21 ZINC001164995708 722213489 /nfs/dbraw/zinc/21/34/89/722213489.db2.gz KBJSWPUIRXHFSI-QFIPXVFZSA-N 0 1 426.586 4.315 20 0 IIADMN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001123372511 939822186 /nfs/dbraw/zinc/82/21/86/939822186.db2.gz OKMOLULGWVRNEG-GAJHUEQPSA-N 0 1 448.485 4.120 20 0 IIADMN O=C([O-])[C@@]1(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001123372265 939822576 /nfs/dbraw/zinc/82/25/76/939822576.db2.gz KIRUMNKKCGKEDR-TXTKFYIRSA-N 0 1 447.362 4.333 20 0 IIADMN C[C@@](CO)(Cc1ccc(Br)cc1)NCc1c(F)cccc1Br ZINC001308117836 1126163614 /nfs/dbraw/zinc/16/36/14/1126163614.db2.gz NGRCJYJVXHQVKX-KRWDZBQOSA-N 0 1 431.143 4.434 20 0 IIADMN Cc1ccc(C)c(NC(=O)Cc2nc(CN[C@@](C)(CO)Cc3ccc(F)cc3)cs2)c1 ZINC001460867150 1126192859 /nfs/dbraw/zinc/19/28/59/1126192859.db2.gz HPDHVLVGXJKWFP-XMMPIXPASA-N 0 1 441.572 4.164 20 0 IIADMN COc1ccc(-c2cnc(CN[C@](C)(CO)Cc3ccc(Br)cc3)o2)cc1 ZINC001473840174 1126200530 /nfs/dbraw/zinc/20/05/30/1126200530.db2.gz RZTIZGUCQWCKBH-NRFANRHFSA-N 0 1 431.330 4.196 20 0 IIADMN COCCN1C(=O)[C@H](c2ccccc2)CC12CCN(C(C)(C)c1ccnc(Cl)c1)CC2 ZINC001164429854 718955781 /nfs/dbraw/zinc/95/57/81/718955781.db2.gz QDEWDSLSWGKWHF-NRFANRHFSA-N 0 1 442.003 4.467 20 0 IIADMN Cc1sc2nc(-c3ccccn3)nc(N3C[C@@H]4[C@H](C3)OCCN4C)c2c1-c1ccccc1 ZINC001164670303 719445619 /nfs/dbraw/zinc/44/56/19/719445619.db2.gz NTWQOVBCFHOTGZ-UXHICEINSA-N 0 1 443.576 4.248 20 0 IIADMN Cc1nc(CN2CCCC23CCN(c2cc(C(=O)NC(C)(C)C)ccn2)CC3)cs1 ZINC001164691269 719811757 /nfs/dbraw/zinc/81/17/57/719811757.db2.gz CLDAZMKMGSSBSO-UHFFFAOYSA-N 0 1 427.618 4.010 20 0 IIADMN COc1ccc2nc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)c(Cl)nc2c1 ZINC001164695731 719890710 /nfs/dbraw/zinc/89/07/10/719890710.db2.gz UAQLPOJJRNQDNV-UHFFFAOYSA-N 0 1 444.988 4.225 20 0 IIADMN Fc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c1 ZINC001164722950 720477806 /nfs/dbraw/zinc/47/78/06/720477806.db2.gz BHCJYIKVIHTHDQ-RTBURBONSA-N 0 1 425.895 4.310 20 0 IIADMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4ccc5ccnc(Cl)c5c4)C[C@@H]3C2)cn1 ZINC001164768134 721113892 /nfs/dbraw/zinc/11/38/92/721113892.db2.gz NJLUAEQGXWOLKD-MSOLQXFVSA-N 0 1 431.918 4.125 20 0 IIADMN Clc1ccc2ccc(Cl)c(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2n1 ZINC001164880448 721180968 /nfs/dbraw/zinc/18/09/68/721180968.db2.gz WRWJLQXFKQCNCA-ROUUACIJSA-N 0 1 429.351 4.416 20 0 IIADMN C[C@@H]1c2ncc(COCC3CC3)n2CCN1c1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC001164872206 721239974 /nfs/dbraw/zinc/23/99/74/721239974.db2.gz LFSLJCKFGVDJCF-HXUWFJFHSA-N 0 1 443.595 4.344 20 0 IIADMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(Cl)nc5cc(Cl)ccc54)C3)O2)CC1 ZINC001164887107 721401131 /nfs/dbraw/zinc/40/11/31/721401131.db2.gz LAGJXSQMOVMZRD-WZONZLPQSA-N 0 1 449.426 4.307 20 0 IIADMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(-c5ccccc5)cc(Cl)n4)C3)O2)CC1 ZINC001164889979 721410089 /nfs/dbraw/zinc/41/00/89/721410089.db2.gz RXPMQVFQAIMMHD-WIOPSUGQSA-N 0 1 441.019 4.167 20 0 IIADMN Fc1cccc(O[C@H]2C[C@@H]3CN(C(F)(F)c4ccc5c(Cl)ncnc5c4)CCN3C2)c1 ZINC001164900804 721518520 /nfs/dbraw/zinc/51/85/20/721518520.db2.gz UXVMQEMOBGIORU-AEFFLSMTSA-N 0 1 448.876 4.309 20 0 IIADMN COc1cccc2c(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)cc(Cl)nc12 ZINC001164794548 721525992 /nfs/dbraw/zinc/52/59/92/721525992.db2.gz FSNQFHHNQRSFHK-VAXXYWNWSA-N 0 1 438.959 4.160 20 0 IIADMN Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)C4(c5ccc(Cl)nc5)CC4)CCN3C2)c1 ZINC001164909185 721567184 /nfs/dbraw/zinc/56/71/84/721567184.db2.gz SPRNLYPONPKNLL-HKUYNNGSSA-N 0 1 437.893 4.336 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)nc3c(F)ccc(F)c23)[C@H]2CCCO[C@H]12 ZINC001164802636 721590785 /nfs/dbraw/zinc/59/07/85/721590785.db2.gz HKZUCHLLXXFUET-GWJPWWOOSA-N 0 1 444.913 4.430 20 0 IIADMN FC1(F)CCN(c2ccc(-c3cccs3)nn2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164905570 721712509 /nfs/dbraw/zinc/71/25/09/721712509.db2.gz HPOAQSSOMIJTOS-OAQYLSRUSA-N 0 1 427.524 4.338 20 0 IIADMN Fc1ccccc1-c1ccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nn1 ZINC001164911750 721730573 /nfs/dbraw/zinc/73/05/73/721730573.db2.gz KEIATCQLIUKMGQ-HSZRJFAPSA-N 0 1 439.485 4.415 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2cc3c(Cl)ccnc3cn2)CC1 ZINC001165022628 721841993 /nfs/dbraw/zinc/84/19/93/721841993.db2.gz QRLNUJGOWGTSFB-UHFFFAOYSA-N 0 1 426.948 4.401 20 0 IIADMN CCOC(=O)c1nc(N(C)C2CCN(Cc3c(OC)cccc3OC)CC2)ccc1Cl ZINC001165021252 721843084 /nfs/dbraw/zinc/84/30/84/721843084.db2.gz JMCYJXFWCAGEQA-UHFFFAOYSA-N 0 1 447.963 4.030 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncnc3sc4c(c32)CCC4)CC1 ZINC001165023131 721843417 /nfs/dbraw/zinc/84/34/17/721843417.db2.gz XPPBULGBFJGTSO-UHFFFAOYSA-N 0 1 438.597 4.298 20 0 IIADMN COc1ccc(-c2cc(N(C)C3CCN(Cc4c(OC)cccc4OC)CC3)ncn2)cc1 ZINC001165022599 721843865 /nfs/dbraw/zinc/84/38/65/721843865.db2.gz QAROBUWGESTACD-UHFFFAOYSA-N 0 1 448.567 4.270 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4cncc(OCc5ccccc5)n4)CC3)C2)cc1 ZINC001164939344 721922871 /nfs/dbraw/zinc/92/28/71/721922871.db2.gz JITMTESRMWZUKR-UHFFFAOYSA-N 0 1 444.579 4.235 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4nc(Cl)nc5c4CSC5)CC3)C2)cc1 ZINC001164939908 721924516 /nfs/dbraw/zinc/92/45/16/721924516.db2.gz PKUFOBGCFUQRFC-UHFFFAOYSA-N 0 1 431.005 4.057 20 0 IIADMN CCOc1ccc2ncnc(N3CCC4(CC3)CN(Cc3ccc(C)cc3)CCO4)c2c1 ZINC001164938932 721927096 /nfs/dbraw/zinc/92/70/96/721927096.db2.gz CFQMULPLLVYRCI-UHFFFAOYSA-N 0 1 432.568 4.208 20 0 IIADMN c1ccc(OCCN2CCN(c3ccc(-c4ccc(C5OCCCO5)cc4)cn3)CC2)cc1 ZINC001165045456 721958318 /nfs/dbraw/zinc/95/83/18/721958318.db2.gz UPUSWFAWNJGWKM-UHFFFAOYSA-N 0 1 445.563 4.385 20 0 IIADMN c1ccc(Oc2ccc(-c3ccc(N4C[C@H]5CN(CC6CC6)C[C@@H](C4)O5)nn3)cc2)cc1 ZINC001164968170 722076967 /nfs/dbraw/zinc/07/69/67/722076967.db2.gz UROXFOMMUDVVGA-PSWAGMNNSA-N 0 1 428.536 4.235 20 0 IIADMN Clc1cc2c(Cl)ccnc2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164971904 722114420 /nfs/dbraw/zinc/11/44/20/722114420.db2.gz DEMCDGIIXQGJGJ-QFBILLFUSA-N 0 1 444.366 4.059 20 0 IIADMN Fc1cccc(CN2CC[C@@]23CCCN(c2ccc(-c4ccc5c(c4)OCCO5)nn2)C3)c1 ZINC001164994815 722208582 /nfs/dbraw/zinc/20/85/82/722208582.db2.gz IJQXMEAKJZLBOU-AREMUKBSSA-N 0 1 446.526 4.299 20 0 IIADMN O=C([O-])[C@H](NC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)C1CCCCC1 ZINC000780568764 939133361 /nfs/dbraw/zinc/13/33/61/939133361.db2.gz NDRZNDBPCSTSMY-LJQANCHMSA-N 0 1 442.387 4.291 20 0 IIADMN C[N@H+]1CCC[C@H](CNC(=O)N[C@H](C(=O)[O-])c2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000780576648 939137148 /nfs/dbraw/zinc/13/71/48/939137148.db2.gz BTKJTQWZKAXGTR-YZGWKJHDSA-N 0 1 449.473 4.213 20 0 IIADMN O=C([O-])[C@H](Cc1c[nH]c2cccc(Br)c12)[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000426759537 1126088617 /nfs/dbraw/zinc/08/86/17/1126088617.db2.gz NGXKLTJFSBLLAR-SFHVURJKSA-N 0 1 439.313 4.106 20 0 IIADMN CC(C)(C)OC(=O)Nc1ncc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)s1 ZINC000800238816 1126110642 /nfs/dbraw/zinc/11/06/42/1126110642.db2.gz JQNDKWYKCHQHSD-GJZGRUSLSA-N 0 1 431.480 4.114 20 0 IIADMN COc1ccc(C[C@](C)(CO)NCc2ncc(-c3ccc(Br)cc3)o2)cc1 ZINC001176587222 1126149657 /nfs/dbraw/zinc/14/96/57/1126149657.db2.gz HQBAGXBPOWFUPL-OAQYLSRUSA-N 0 1 431.330 4.196 20 0 IIADMN COc1cc(CN[C@H](Cc2ccccc2)[C@@H](O)C(F)(F)F)c(F)cc1Br ZINC001177822930 1126150559 /nfs/dbraw/zinc/15/05/59/1126150559.db2.gz PPXOXEGSUSNUBX-NVXWUHKLSA-N 0 1 436.243 4.221 20 0 IIADMN COc1ccc(CN[C@@H](Cc2ccccc2)[C@H](O)C(F)(F)F)c(Br)c1OC ZINC001197284683 1126153797 /nfs/dbraw/zinc/15/37/97/1126153797.db2.gz KMZVWQSTSIXSST-KSSFIOAISA-N 0 1 448.279 4.090 20 0 IIADMN Cc1ccc(NC(=O)Cc2nc(CN[C@@](C)(CO)Cc3ccc(Cl)cc3)cs2)cc1 ZINC001198231265 1126156155 /nfs/dbraw/zinc/15/61/55/1126156155.db2.gz UXGYXZFZHKMMLE-HSZRJFAPSA-N 0 1 444.000 4.369 20 0 IIADMN COc1ccc(C[C@](C)(CO)NCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1 ZINC001473839015 1126199696 /nfs/dbraw/zinc/19/96/96/1126199696.db2.gz PZLLJNYTVBYBRP-XMMPIXPASA-N 0 1 435.549 4.156 20 0 IIADMN C[C@@](CO)(Cc1ccc(Br)cc1)NCc1cccc(F)c1Br ZINC001461669918 1126195835 /nfs/dbraw/zinc/19/58/35/1126195835.db2.gz HWNNJTIOFDGHGY-KRWDZBQOSA-N 0 1 431.143 4.434 20 0 IIADMN COc1ccc(C[C@@](C)(CO)NCc2cc(Br)sc2Br)cc1 ZINC001560580347 1126213399 /nfs/dbraw/zinc/21/33/99/1126213399.db2.gz RTKZREDAJZIGGE-INIZCTEOSA-N 0 1 449.208 4.365 20 0 IIADMN Cc1ccc(-c2csc3nc(-c4ccncc4)nc(N4C[C@@H]5OCCN(C)[C@H]5C4)c23)cc1 ZINC001164666905 719444688 /nfs/dbraw/zinc/44/46/88/719444688.db2.gz DSSXQMQNQNZCME-SFTDATJTSA-N 0 1 443.576 4.248 20 0 IIADMN Cc1sc2nc(-c3ccccn3)nc(N3C[C@H]4OCCN(C)[C@@H]4C3)c2c1-c1ccccc1 ZINC001164670305 719444745 /nfs/dbraw/zinc/44/47/45/719444745.db2.gz NTWQOVBCFHOTGZ-WOJBJXKFSA-N 0 1 443.576 4.248 20 0 IIADMN Cc1ccc(-c2csc3nc(-c4ccncc4)nc(N4C[C@@H]5[C@H](C4)OCCN5C)c23)cc1 ZINC001164666901 719445434 /nfs/dbraw/zinc/44/54/34/719445434.db2.gz DSSXQMQNQNZCME-RTWAWAEBSA-N 0 1 443.576 4.248 20 0 IIADMN Cc1ccc(-c2csc3nc(-c4ccncc4)nc(N4C[C@H]5OCCN(C)[C@@H]5C4)c23)cc1 ZINC001164666897 719445667 /nfs/dbraw/zinc/44/56/67/719445667.db2.gz DSSXQMQNQNZCME-NHCUHLMSSA-N 0 1 443.576 4.248 20 0 IIADMN COc1ccc(C(F)(F)N2CCC3(CC2)CN(Cc2cccs2)CCO3)c(Cl)n1 ZINC001164695698 719892075 /nfs/dbraw/zinc/89/20/75/719892075.db2.gz ROCUKJFICITYOA-UHFFFAOYSA-N 0 1 443.947 4.221 20 0 IIADMN Fc1cnc(Cl)cc1C(F)(F)N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164694732 719892378 /nfs/dbraw/zinc/89/23/78/719892378.db2.gz DMWMFBOIQXUNMC-UHFFFAOYSA-N 0 1 431.911 4.352 20 0 IIADMN O=C(Nc1ccccc1)c1ccnc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)c1 ZINC001164699104 719892933 /nfs/dbraw/zinc/89/29/33/719892933.db2.gz XESYBIZSICVHOM-UHFFFAOYSA-N 0 1 448.592 4.267 20 0 IIADMN Cc1ccccc1Oc1nc(Cl)ncc1N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164740338 720594557 /nfs/dbraw/zinc/59/45/57/720594557.db2.gz IOMZEUBCLHALSJ-UHFFFAOYSA-N 0 1 438.963 4.086 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1ccc3ncc(Cl)nc3c1)[C@@H]2C ZINC001164859929 720939277 /nfs/dbraw/zinc/93/92/77/720939277.db2.gz OOCWUUUPNIMZME-CQSZACIVSA-N 0 1 434.922 4.446 20 0 IIADMN Cc1cc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)nc(-c2ccc(Cl)nc2)n1 ZINC001164864897 721016172 /nfs/dbraw/zinc/01/61/72/721016172.db2.gz ZZOJPBNDABKSRC-MRXNPFEDSA-N 0 1 425.968 4.118 20 0 IIADMN Cn1cc(CN2CC[C@@H]3CN(c4c(Cl)nc(Cl)c(Cl)c4Cl)C[C@H]3C2)cn1 ZINC001164771008 721101034 /nfs/dbraw/zinc/10/10/34/721101034.db2.gz QVPINARJVROTDN-VXGBXAGGSA-N 0 1 435.186 4.387 20 0 IIADMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4ccc5ccnc(Cl)c5c4)C[C@H]3C2)cn1 ZINC001164768135 721112919 /nfs/dbraw/zinc/11/29/19/721112919.db2.gz NJLUAEQGXWOLKD-QZTJIDSGSA-N 0 1 431.918 4.125 20 0 IIADMN FC(F)(c1cccc2c(Cl)nccc21)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866705 721119487 /nfs/dbraw/zinc/11/94/87/721119487.db2.gz USRJRDLEHSLTKY-QZTJIDSGSA-N 0 1 444.913 4.308 20 0 IIADMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4cc5ccccc5nc4Cl)C[C@@H]3C2)cn1 ZINC001164766663 721166676 /nfs/dbraw/zinc/16/66/76/721166676.db2.gz IZUODXFCWLNUNF-MSOLQXFVSA-N 0 1 431.918 4.125 20 0 IIADMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4cc5ccccc5nc4Cl)C[C@H]3C2)cn1 ZINC001164766669 721166776 /nfs/dbraw/zinc/16/67/76/721166776.db2.gz IZUODXFCWLNUNF-QZTJIDSGSA-N 0 1 431.918 4.125 20 0 IIADMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4ccc5c(ccnc5Cl)c4)C[C@@H]3C2)cn1 ZINC001164772322 721224064 /nfs/dbraw/zinc/22/40/64/721224064.db2.gz SCQXCLKUHARBPN-MSOLQXFVSA-N 0 1 431.918 4.125 20 0 IIADMN Fc1cccc(O[C@H]2C[C@H]3CN(C(F)(F)c4nc(Cl)c5ccccc5n4)CCN3C2)c1 ZINC001164899753 721514368 /nfs/dbraw/zinc/51/43/68/721514368.db2.gz MIGLCSNNVRISQJ-RDJZCZTQSA-N 0 1 448.876 4.309 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2cc(-c3ccnc(Cl)c3)ccn2)[C@H]2CCCO[C@@H]12 ZINC001164808944 721540328 /nfs/dbraw/zinc/54/03/28/721540328.db2.gz SNJNKXIAODVESJ-YZUZCNPQSA-N 0 1 435.959 4.060 20 0 IIADMN CCCCOc1cnc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c(Cl)c1 ZINC001164806799 721572061 /nfs/dbraw/zinc/57/20/61/721572061.db2.gz RTPJFMFGJGERQI-FKBYEOEOSA-N 0 1 430.980 4.177 20 0 IIADMN Cc1nc(-c2ccccc2)nc(Cl)c1N1C[C@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164800190 721581460 /nfs/dbraw/zinc/58/14/60/721581460.db2.gz CKSSDZCCHJXQCV-FUDKSRODSA-N 0 1 449.986 4.369 20 0 IIADMN CN(Cc1cccnc1)[C@@H]1CN(c2nccc3cc(F)c(Cl)cc32)[C@H]2CCCO[C@H]12 ZINC001164811300 721587635 /nfs/dbraw/zinc/58/76/35/721587635.db2.gz XFPJRMQJIABWEB-BDTNDASRSA-N 0 1 426.923 4.291 20 0 IIADMN Cc1cc(C(F)(F)N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc(Cl)n1 ZINC001164907858 721697960 /nfs/dbraw/zinc/69/79/60/721697960.db2.gz VFQANNBRMCEYKC-SFHVURJKSA-N 0 1 443.876 4.116 20 0 IIADMN CCc1nc(Cl)c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c(Cl)n1 ZINC001164912131 721728200 /nfs/dbraw/zinc/72/82/00/721728200.db2.gz MBJXGJBNWWRDOM-LJQANCHMSA-N 0 1 442.341 4.479 20 0 IIADMN FC(F)(COc1cncc(Cl)n1)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165015336 721768382 /nfs/dbraw/zinc/76/83/82/721768382.db2.gz OMYIEZLXIRRLDE-UHFFFAOYSA-N 0 1 431.830 4.109 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncnc3sc(C)c(C)c32)CC1 ZINC001165023348 721838756 /nfs/dbraw/zinc/83/87/56/721838756.db2.gz VJEPYDBKFIETRJ-UHFFFAOYSA-N 0 1 426.586 4.426 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2nccc(-c3ccc(F)cc3)n2)CC1 ZINC001165022410 721840938 /nfs/dbraw/zinc/84/09/38/721840938.db2.gz SKNQYOTXOUFNLH-UHFFFAOYSA-N 0 1 436.531 4.401 20 0 IIADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncnc3ccc(SC)cc32)CC1 ZINC001165031035 721844916 /nfs/dbraw/zinc/84/49/16/721844916.db2.gz PBBYGPAPSNCJDM-UHFFFAOYSA-N 0 1 438.597 4.470 20 0 IIADMN Cc1ccc(CN2CCOC3(CCN(c4nc(C5CCC5)nc5[nH]ccc54)CC3)C2)cc1 ZINC001164942475 721933650 /nfs/dbraw/zinc/93/36/50/721933650.db2.gz MDHKIZVTMWITOY-UHFFFAOYSA-N 0 1 431.584 4.405 20 0 IIADMN Fc1ccc(-c2nc(Cl)cc(N3CCN(CCc4ccccn4)CC3)n2)cc1Cl ZINC001165055183 722019366 /nfs/dbraw/zinc/01/93/66/722019366.db2.gz LIFIXXDYJUGPDV-UHFFFAOYSA-N 0 1 432.330 4.349 20 0 IIADMN CCOC(=O)c1cc2ncnc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)c2s1 ZINC001164996676 722204388 /nfs/dbraw/zinc/20/43/88/722204388.db2.gz VFMHWVGLWCMMLH-QHCPKHFHSA-N 0 1 440.544 4.252 20 0 IIADMN Cc1cc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)nc(NC(=O)c2ccccc2)n1 ZINC001164996496 722211670 /nfs/dbraw/zinc/21/16/70/722211670.db2.gz NPZJSOWBPQVJOT-AREMUKBSSA-N 0 1 445.542 4.421 20 0 IIADMN NC(=S)c1cnc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c2sccc21 ZINC001164995707 722213798 /nfs/dbraw/zinc/21/37/98/722213798.db2.gz KBJSWPUIRXHFSI-JOCHJYFZSA-N 0 1 426.586 4.315 20 0 IIADMN O=C([O-])[C@]1(NC(=O)CCc2ccc(-c3ccccc3)o2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001123372823 939823547 /nfs/dbraw/zinc/82/35/47/939823547.db2.gz WLKSJDPCCWCILU-SANMLTNESA-N 0 1 432.520 4.115 20 0 IIADMN COc1cc(C[C@@H]([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C(=O)[O-])cc(OC)c1 ZINC000426812546 1126092185 /nfs/dbraw/zinc/09/21/85/1126092185.db2.gz YUSKIHJTFBDZLJ-LJQANCHMSA-N 0 1 438.505 4.359 20 0 IIADMN Cc1ccccc1NC(=O)Cc1nc(CN[C@@](C)(CO)Cc2ccc(Cl)cc2)cs1 ZINC001176596565 1126150108 /nfs/dbraw/zinc/15/01/08/1126150108.db2.gz BBYQKMKZFIHROC-HSZRJFAPSA-N 0 1 444.000 4.369 20 0 IIADMN Cc1ccc(-c2cnc(CN[C@]3(CO)CCc4cc(Br)ccc4C3)o2)cc1 ZINC001473641330 1126198175 /nfs/dbraw/zinc/19/81/75/1126198175.db2.gz LXWASMCWQHMYQV-JOCHJYFZSA-N 0 1 427.342 4.422 20 0 IIADMN C[C@@](CO)(Cc1ccc(Cl)cc1)NCc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC001473839834 1126200193 /nfs/dbraw/zinc/20/01/93/1126200193.db2.gz KRGKAKSJVZASRU-NRFANRHFSA-N 0 1 429.929 4.394 20 0 IIADMN Cc1sc2nc(-c3ccc(OC(F)F)cc3)nc(N3C[C@H]4OCCN(C)[C@@H]4C3)c2c1C ZINC001164671629 719446439 /nfs/dbraw/zinc/44/64/39/719446439.db2.gz QNIYPCANORLKCE-IAGOWNOFSA-N 0 1 446.523 4.096 20 0 IIADMN COC(=O)c1cccc2nc(N3CCC4(CCCN4Cc4csc(C)n4)CC3)ccc21 ZINC001164693845 719815156 /nfs/dbraw/zinc/81/51/56/719815156.db2.gz YXRJOWPQIZYYGP-UHFFFAOYSA-N 0 1 436.581 4.421 20 0 IIADMN Fc1ccc(C(F)(F)N2CCC3(CC2)CN(Cc2cccs2)CCO3)nc1Cl ZINC001164695349 719888393 /nfs/dbraw/zinc/88/83/93/719888393.db2.gz OXPNSKFKKOITCM-UHFFFAOYSA-N 0 1 431.911 4.352 20 0 IIADMN c1csc(CN2CCOC3(CCN(c4ncnc5c4ccn5C4CCCC4)CC3)C2)c1 ZINC001164699001 719893452 /nfs/dbraw/zinc/89/34/52/719893452.db2.gz VJSAYLPLFWHGHY-UHFFFAOYSA-N 0 1 437.613 4.479 20 0 IIADMN CCCN(CCC)c1cncc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1 ZINC001164699303 719896051 /nfs/dbraw/zinc/89/60/51/719896051.db2.gz ZLOIGACNNXEFOB-UHFFFAOYSA-N 0 1 429.634 4.036 20 0 IIADMN Fc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164732044 720477475 /nfs/dbraw/zinc/47/74/75/720477475.db2.gz YIPIAFBWSHIOHR-ROUUACIJSA-N 0 1 425.895 4.310 20 0 IIADMN Cc1ccc(-c2nnc(N3CCc4ncc(CN5CCCC5)n4CC3)c3ccccc32)cc1 ZINC001164736978 720581421 /nfs/dbraw/zinc/58/14/21/720581421.db2.gz XBAGAAACVYCEDU-UHFFFAOYSA-N 0 1 438.579 4.460 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1ccc3ncc(Cl)nc3c1)[C@H]2C ZINC001164859927 720940105 /nfs/dbraw/zinc/94/01/05/720940105.db2.gz OOCWUUUPNIMZME-AWEZNQCLSA-N 0 1 434.922 4.446 20 0 IIADMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc(C(=O)OCc3ccccc3)cn1)[C@H]2C ZINC001164856439 721008454 /nfs/dbraw/zinc/00/84/54/721008454.db2.gz AIJQRUDCOVQMKM-IBGZPJMESA-N 0 1 433.556 4.057 20 0 IIADMN FC(F)(c1ccc2c(ccnc2Cl)c1)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164879450 721167261 /nfs/dbraw/zinc/16/72/61/721167261.db2.gz SGNQNCCRFZUMHW-PMACEKPBSA-N 0 1 444.913 4.308 20 0 IIADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ncnc4ccc(Cl)cc43)C2)C1 ZINC001164780026 721339519 /nfs/dbraw/zinc/33/95/19/721339519.db2.gz YOLIUXDUASXINC-HSZRJFAPSA-N 0 1 441.963 4.007 20 0 IIADMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ccc4nccc(Cl)c4n3)C2)C1 ZINC001164780272 721363274 /nfs/dbraw/zinc/36/32/74/721363274.db2.gz FKVASCMKKAVVSR-QHCPKHFHSA-N 0 1 441.963 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