smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(CN2CCCC23CCN(c2ncc4ccc(Cl)cc4n2)CC3)cs1 ZINC001164694367 719810474 /nfs/dbraw/zinc/81/04/74/719810474.db2.gz WGPVYUQFIYQLSY-UHFFFAOYSA-N 0 1 413.978 4.683 20 0 HJADMN Clc1cccc2c1ccnc2N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164695688 719891849 /nfs/dbraw/zinc/89/18/49/719891849.db2.gz QWUNBMDUDBDSMJ-UHFFFAOYSA-N 0 1 413.974 4.821 20 0 HJADMN Clc1cccc2ccnc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)c12 ZINC001164696187 719892719 /nfs/dbraw/zinc/89/27/19/719892719.db2.gz AZLUJDJJIXCWNJ-UHFFFAOYSA-N 0 1 413.974 4.821 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)ncc1Cl)[C@@H]2C ZINC001164861788 720926940 /nfs/dbraw/zinc/92/69/40/720926940.db2.gz UMSVGIDFJSXVJF-GFCCVEGCSA-N 0 1 418.319 4.551 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1ccnc(Cl)c1Cl)[C@H]2C ZINC001164861272 720930064 /nfs/dbraw/zinc/93/00/64/720930064.db2.gz SUYDPBFLJQCOMT-LBPRGKRZSA-N 0 1 418.319 4.551 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)cc3cccc(F)c31)[C@@H]2C ZINC001164861394 721024171 /nfs/dbraw/zinc/02/41/71/721024171.db2.gz OHNOHUNOCAOWQP-CQSZACIVSA-N 0 1 401.917 4.645 20 0 HJADMN Fc1cccc(-c2cc(C(F)(F)N3CCN(C4CCCC4)CC3)c(Cl)nn2)c1 ZINC001165033256 721862539 /nfs/dbraw/zinc/86/25/39/721862539.db2.gz IISDJGUQQGUEHC-UHFFFAOYSA-N 0 1 410.871 4.546 20 0 HJADMN COc1cccc(-c2ccnc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)n2)c1 ZINC001164995681 722204434 /nfs/dbraw/zinc/20/44/34/722204434.db2.gz PEBIXPCRWSUDBS-RUZDIDTESA-N 0 1 418.516 4.536 20 0 HJADMN COc1ccccc1-c1cc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)ncn1 ZINC001164996697 722208908 /nfs/dbraw/zinc/20/89/08/722208908.db2.gz VSOLQEOIEZBUCV-VWLOTQADSA-N 0 1 418.516 4.536 20 0 HJADMN COc1ccccc1-c1ccnc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164994905 722209020 /nfs/dbraw/zinc/20/90/20/722209020.db2.gz JNNCPTOIRPLVJX-RUZDIDTESA-N 0 1 418.516 4.536 20 0 HJADMN Fc1cccc(CN2CC[C@]23CCCN(c2nc(Cl)cc(-c4ccncc4)n2)C3)c1 ZINC001164998794 722212763 /nfs/dbraw/zinc/21/27/63/722212763.db2.gz XWVCLTJJWXDVEA-QHCPKHFHSA-N 0 1 423.923 4.576 20 0 HJADMN Clc1cccc2nc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)ccc12 ZINC001164695670 719892416 /nfs/dbraw/zinc/89/24/16/719892416.db2.gz PYOIQMZHLZXQIR-UHFFFAOYSA-N 0 1 413.974 4.821 20 0 HJADMN Fc1c(Cl)nccc1C(F)(F)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165014219 721766808 /nfs/dbraw/zinc/76/68/08/721766808.db2.gz FPPFLSXAWHHBPZ-UHFFFAOYSA-N 0 1 418.806 4.931 20 0 HJADMN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CCN(C2CCCC2)CC1 ZINC001165028063 721857229 /nfs/dbraw/zinc/85/72/29/721857229.db2.gz INQKXXZYYAENAF-UHFFFAOYSA-N 0 1 401.288 4.546 20 0 HJADMN COc1ccc(-c2ccc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)nn2)cc1 ZINC001164996758 722207896 /nfs/dbraw/zinc/20/78/96/722207896.db2.gz WLWCYRLHDDWODB-VWLOTQADSA-N 0 1 418.516 4.536 20 0 HJADMN Clc1cc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)c2ccsc2n1 ZINC001164696136 719890403 /nfs/dbraw/zinc/89/04/03/719890403.db2.gz YZNWWNATBIGXHY-UHFFFAOYSA-N 0 1 420.003 4.883 20 0 HJADMN FC(F)(c1cccc2ccnc(Cl)c21)N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164723752 720400947 /nfs/dbraw/zinc/40/09/47/720400947.db2.gz HDFZIAIJYNNLEU-OALUTQOASA-N 0 1 414.887 4.681 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(Cl)c1)[C@H]2C ZINC001164863209 720925727 /nfs/dbraw/zinc/92/57/27/720925727.db2.gz XNDXIVQVPNWLCK-LBPRGKRZSA-N 0 1 418.319 4.551 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)cc(C3CCCCC3)n1)[C@@H]2C ZINC001164861027 721019386 /nfs/dbraw/zinc/01/93/86/721019386.db2.gz MWCQFEFBCCPJND-MRXNPFEDSA-N 0 1 417.001 4.796 20 0 HJADMN COc1cc2cnc(Cl)cc2cc1N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164861658 721023306 /nfs/dbraw/zinc/02/33/06/721023306.db2.gz PCGPSIBMOAAXTG-OAHLLOKOSA-N 0 1 413.953 4.515 20 0 HJADMN Cc1ccc(CN2CCOC3(CCN(c4ccc5cc(C)ccc5n4)CC3)C2)cc1 ZINC001164938189 721920599 /nfs/dbraw/zinc/92/05/99/721920599.db2.gz JDLYTSSUQDUWOM-UHFFFAOYSA-N 0 1 401.554 4.723 20 0 HJADMN Fc1cccc(CN2CC[C@@]23CCCN(c2nc(Cl)nc(-c4ccccc4)n2)C3)c1 ZINC001164994586 722197037 /nfs/dbraw/zinc/19/70/37/722197037.db2.gz OELHIFIYOFXOMW-HSZRJFAPSA-N 0 1 423.923 4.576 20 0 HJADMN Fc1cccc(CN2CC[C@]23CCCN(c2nccnc2Oc2ccccc2)C3)c1 ZINC001164994401 722211495 /nfs/dbraw/zinc/21/14/95/722211495.db2.gz BVWGEDQLLMPCPP-DEOSSOPVSA-N 0 1 404.489 4.653 20 0 HJADMN FC(F)(F)c1[nH]nc2c1C[C@@H](c1nc(-c3ccc(N4CCCCC4)cc3)no1)CC2 ZINC000170606787 569244793 /nfs/dbraw/zinc/24/47/93/569244793.db2.gz SVUMTYWFBFJGTJ-AWEZNQCLSA-N 0 1 417.435 4.741 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2ncnc4cc(Cl)ccc42)CC3)cs1 ZINC001164691951 719807419 /nfs/dbraw/zinc/80/74/19/719807419.db2.gz BIMJCWKDKIBOSP-UHFFFAOYSA-N 0 1 413.978 4.683 20 0 HJADMN CCc1cc2c(ncnc2N2CCC3(CCCN3Cc3csc(C)n3)CC2)s1 ZINC001164693044 719808689 /nfs/dbraw/zinc/80/86/89/719808689.db2.gz PICBAYHVJGKITQ-UHFFFAOYSA-N 0 1 413.616 4.654 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2cc4ccc(Cl)nc4cn2)CC3)cs1 ZINC001164693938 719809550 /nfs/dbraw/zinc/80/95/50/719809550.db2.gz SMXCNDKWRPNQAO-UHFFFAOYSA-N 0 1 413.978 4.683 20 0 HJADMN Clc1cccc2ccc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)nc12 ZINC001164695665 719890553 /nfs/dbraw/zinc/89/05/53/719890553.db2.gz PTANPLPWYFYKQS-UHFFFAOYSA-N 0 1 413.974 4.821 20 0 HJADMN FC(F)(c1cccc2ccnc(Cl)c21)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164723754 720401848 /nfs/dbraw/zinc/40/18/48/720401848.db2.gz HDFZIAIJYNNLEU-RBUKOAKNSA-N 0 1 414.887 4.681 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)nc(Cl)c1)[C@@H]2C ZINC001164860001 720928219 /nfs/dbraw/zinc/92/82/19/720928219.db2.gz QUENTWHDGWXVJD-GFCCVEGCSA-N 0 1 418.319 4.551 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1ncnc3cc(C(C)(C)C)sc31)[C@@H]2C ZINC001164863143 720941265 /nfs/dbraw/zinc/94/12/65/720941265.db2.gz YHKMKLQEAHLBPJ-OAHLLOKOSA-N 0 1 412.607 4.607 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1c(Cl)cc(Cl)nc1Cl)[C@H]2C ZINC001164857805 720942315 /nfs/dbraw/zinc/94/23/15/720942315.db2.gz HHMWSFLHLQDHSN-NSHDSACASA-N 0 1 402.757 4.660 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc3c(Cl)ccc(F)c3n1)[C@H]2C ZINC001164863977 721016977 /nfs/dbraw/zinc/01/69/77/721016977.db2.gz WNDZTMWCYJKPQI-AWEZNQCLSA-N 0 1 401.917 4.645 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2ccc(-c4ccccc4)nn2)CC3)cs1 ZINC001164694387 719805514 /nfs/dbraw/zinc/80/55/14/719805514.db2.gz XWANUVKVYYUMAY-UHFFFAOYSA-N 0 1 405.571 4.544 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2cnc4c(Cl)cccc4n2)CC3)cs1 ZINC001164692610 719807156 /nfs/dbraw/zinc/80/71/56/719807156.db2.gz LFXBNIRYOJDQHY-UHFFFAOYSA-N 0 1 413.978 4.683 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2nncc4cc(Cl)ccc42)CC3)cs1 ZINC001164694116 719809832 /nfs/dbraw/zinc/80/98/32/719809832.db2.gz VARJJJXZHGIYCN-UHFFFAOYSA-N 0 1 413.978 4.683 20 0 HJADMN Clc1cc2ccccc2nc1N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164695709 719890728 /nfs/dbraw/zinc/89/07/28/719890728.db2.gz RYBQKJAKHOVOSO-UHFFFAOYSA-N 0 1 413.974 4.821 20 0 HJADMN CC(C)c1ccc2ncnc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)c2c1 ZINC001164705920 719898749 /nfs/dbraw/zinc/89/87/49/719898749.db2.gz FTWNWWRGETXVRP-UHFFFAOYSA-N 0 1 422.598 4.686 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)cc3c(Cl)ccnc31)[C@@H]2C ZINC001164858704 720959005 /nfs/dbraw/zinc/95/90/05/720959005.db2.gz KKVNVBSMNYYAIB-CYBMUJFWSA-N 0 1 419.360 4.555 20 0 HJADMN CSc1cc(Cl)cnc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164908784 721720781 /nfs/dbraw/zinc/72/07/81/721720781.db2.gz ZJDFVCODYGSCLA-IBGZPJMESA-N 0 1 424.948 4.590 20 0 HJADMN c1ccc(CN2CCc3nc(N(Cc4cccnc4)Cc4ccccn4)ccc3C2)cc1 ZINC001165036097 721880904 /nfs/dbraw/zinc/88/09/04/721880904.db2.gz IYBDTRHABKLOIX-UHFFFAOYSA-N 0 1 421.548 4.637 20 0 HJADMN Cc1ccc(CN2CCOC3(CCN(c4cc(-c5ccccc5)ccn4)CC3)C2)cc1 ZINC001164940566 721923279 /nfs/dbraw/zinc/92/32/79/721923279.db2.gz TXYTWVCXTOCIHU-UHFFFAOYSA-N 0 1 413.565 4.928 20 0 HJADMN Fc1cccc(CN2CC[C@@]23CCCN(c2ccc(-c4cccc(F)c4)nn2)C3)c1 ZINC001164994889 722209750 /nfs/dbraw/zinc/20/97/50/722209750.db2.gz JGGYSNHJLOUWSW-XMMPIXPASA-N 0 1 406.480 4.667 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2cnc4cccc(Cl)c4n2)CC3)cs1 ZINC001164693804 719806000 /nfs/dbraw/zinc/80/60/00/719806000.db2.gz VBGFTJQMMZZEDJ-UHFFFAOYSA-N 0 1 413.978 4.683 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2ccc(-c4cccs4)nn2)CC3)cs1 ZINC001164694482 719810376 /nfs/dbraw/zinc/81/03/76/719810376.db2.gz YTBLIIZGJDNMBZ-UHFFFAOYSA-N 0 1 411.600 4.605 20 0 HJADMN Clc1cc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)c2sccc2n1 ZINC001164694957 719890663 /nfs/dbraw/zinc/89/06/63/719890663.db2.gz IIHPMMGFNKVIEP-UHFFFAOYSA-N 0 1 420.003 4.883 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)cnc1Cl)[C@H]2C ZINC001164853925 720930570 /nfs/dbraw/zinc/93/05/70/720930570.db2.gz BTKTWWRINBVHLZ-LBPRGKRZSA-N 0 1 418.319 4.551 20 0 HJADMN Fc1cccc(CN2CC[C@]23CCCN(c2nc(Cl)nc(-c4ccccc4)n2)C3)c1 ZINC001164994587 722197296 /nfs/dbraw/zinc/19/72/96/722197296.db2.gz OELHIFIYOFXOMW-QHCPKHFHSA-N 0 1 423.923 4.576 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2ccc4cc(Cl)cnc4n2)CC3)cs1 ZINC001164692940 719808000 /nfs/dbraw/zinc/80/80/00/719808000.db2.gz OCFRVUNGDRDCNY-UHFFFAOYSA-N 0 1 413.978 4.683 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1cc(Cl)nc3ccc(F)cc31)[C@H]2C ZINC001164859371 720940712 /nfs/dbraw/zinc/94/07/12/720940712.db2.gz NGWPNOHJDIRUIM-AWEZNQCLSA-N 0 1 401.917 4.645 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1ccc(Cl)c(Cl)n1)[C@H]2C ZINC001164860674 720961334 /nfs/dbraw/zinc/96/13/34/720961334.db2.gz RAPDTLHFHNXPDQ-LBPRGKRZSA-N 0 1 418.319 4.551 20 0 HJADMN CCCCOc1cnc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)c(Cl)c1 ZINC001164857259 720993526 /nfs/dbraw/zinc/99/35/26/720993526.db2.gz FJQWIVSSTPLNOO-MRXNPFEDSA-N 0 1 405.974 4.532 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc3c(Cl)cccc3nc1Cl)[C@H]2C ZINC001164859587 721017766 /nfs/dbraw/zinc/01/77/66/721017766.db2.gz JPSNYCAIIJTZJE-ZDUSSCGKSA-N 0 1 419.360 4.555 20 0 HJADMN COc1cc2cnc(Cl)cc2cc1N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001164861650 721024463 /nfs/dbraw/zinc/02/44/63/721024463.db2.gz PCGPSIBMOAAXTG-HNNXBMFYSA-N 0 1 413.953 4.515 20 0 HJADMN Fc1cccc(CN2CC[C@@]23CCCN(c2nc(Cl)nc4cccc(F)c42)C3)c1 ZINC001164993263 722197064 /nfs/dbraw/zinc/19/70/64/722197064.db2.gz DRXRNDOAHYDZKU-JOCHJYFZSA-N 0 1 414.887 4.806 20 0 HJADMN COc1cccc(-c2ccnc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)n2)c1 ZINC001164995682 722204610 /nfs/dbraw/zinc/20/46/10/722204610.db2.gz PEBIXPCRWSUDBS-VWLOTQADSA-N 0 1 418.516 4.536 20 0 HJADMN COc1ccccc1-c1cc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)ncn1 ZINC001164996696 722209263 /nfs/dbraw/zinc/20/92/63/722209263.db2.gz VSOLQEOIEZBUCV-RUZDIDTESA-N 0 1 418.516 4.536 20 0 HJADMN Fc1cccc(CN2CC[C@]23CCCN(c2cc4nc(Cl)cnc4cc2F)C3)c1 ZINC001164994006 722209922 /nfs/dbraw/zinc/20/99/22/722209922.db2.gz CIZPCVSKJSYFPV-QFIPXVFZSA-N 0 1 414.887 4.806 20 0 HJADMN Fc1cccc(CN2CC[C@@]23CCCN(c2nccnc2Oc2ccccc2)C3)c1 ZINC001164994402 722211648 /nfs/dbraw/zinc/21/16/48/722211648.db2.gz BVWGEDQLLMPCPP-XMMPIXPASA-N 0 1 404.489 4.653 20 0 HJADMN Fc1cccc(CN2CC[C@]23CCCN(c2ncc(F)c(-c4ccsc4)n2)C3)c1 ZINC001164996490 722212989 /nfs/dbraw/zinc/21/29/89/722212989.db2.gz NOERFVRGFGXNGO-QFIPXVFZSA-N 0 1 412.509 4.728 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc3cccc(Cl)c31)[C@@H]2C ZINC001164858311 720961203 /nfs/dbraw/zinc/96/12/03/720961203.db2.gz IMTHJYAWBSCENG-CYBMUJFWSA-N 0 1 419.360 4.555 20 0 HJADMN Cc1cccc(Sc2cncc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)n2)c1 ZINC001164861852 720990235 /nfs/dbraw/zinc/99/02/35/720990235.db2.gz QYTJAEVGAIXAEN-GOSISDBHSA-N 0 1 422.602 4.554 20 0 HJADMN COc1cccc(OC)c1CN1CCC(N(C)c2c(Cl)ccnc2Cl)CC1 ZINC001165021585 721840807 /nfs/dbraw/zinc/84/08/07/721840807.db2.gz OZVUOSGYNWPFPR-UHFFFAOYSA-N 0 1 410.345 4.506 20 0 HJADMN Fc1cccc(CN2CC[C@]23CCCN(c2nnc(Cl)c4ccsc42)C3)c1 ZINC001164993977 722196220 /nfs/dbraw/zinc/19/62/20/722196220.db2.gz KDELZGRCSIIZOM-FQEVSTJZSA-N 0 1 402.926 4.729 20 0 HJADMN COc1ccc2ccc(N3CCC4(CCCN4Cc4csc(C)n4)CC3)nc2c1 ZINC001164694504 719810643 /nfs/dbraw/zinc/81/06/43/719810643.db2.gz ZDOHIGPKWQCVMV-UHFFFAOYSA-N 0 1 408.571 4.643 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2cccc(OCC(C)C)n2)CC3)cs1 ZINC001164693640 719812735 /nfs/dbraw/zinc/81/27/35/719812735.db2.gz XNDBDDXHCRVNPG-UHFFFAOYSA-N 0 1 400.592 4.516 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2ccc(-c4ccc(F)cc4)nn2)CC3)cs1 ZINC001164691238 719814346 /nfs/dbraw/zinc/81/43/46/719814346.db2.gz BLGJPBYWKGQDIX-UHFFFAOYSA-N 0 1 423.561 4.683 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)nc(Cl)c1)[C@H]2C ZINC001164860006 720928727 /nfs/dbraw/zinc/92/87/27/720928727.db2.gz QUENTWHDGWXVJD-LBPRGKRZSA-N 0 1 418.319 4.551 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1c(Cl)cc(Cl)nc1Cl)[C@@H]2C ZINC001164857801 720941841 /nfs/dbraw/zinc/94/18/41/720941841.db2.gz HHMWSFLHLQDHSN-LLVKDONJSA-N 0 1 402.757 4.660 20 0 HJADMN COc1cnc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)c2cc(Cl)ccc12 ZINC001164856156 720962497 /nfs/dbraw/zinc/96/24/97/720962497.db2.gz BUCWRBWHMVAELC-HNNXBMFYSA-N 0 1 413.953 4.515 20 0 HJADMN Clc1ccc2c(c1)nc(Cl)cc2N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164782127 721404162 /nfs/dbraw/zinc/40/41/62/721404162.db2.gz DCOJXLHAZLZILF-BETUJISGSA-N 0 1 405.354 4.566 20 0 HJADMN c1ccc(CN2CCc3nc(N4C[C@@H]5CCC[C@@H](OCC6CC6)[C@H]5C4)ccc3C2)cc1 ZINC001164902351 721496855 /nfs/dbraw/zinc/49/68/55/721496855.db2.gz YOYYQDYSKGFFDC-LLZJGCNPSA-N 0 1 417.597 4.671 20 0 HJADMN Fc1ccc(C(F)(F)N2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)nc1Cl ZINC001165015194 721766493 /nfs/dbraw/zinc/76/64/93/721766493.db2.gz NNRKMHVXACYKCX-UHFFFAOYSA-N 0 1 418.806 4.931 20 0 HJADMN FC(F)(c1cccc(Cl)n1)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165014986 721766953 /nfs/dbraw/zinc/76/69/53/721766953.db2.gz LGBHQGDWUDUYRP-UHFFFAOYSA-N 0 1 400.816 4.791 20 0 HJADMN COc1cccc(OC)c1CN1CCC(N(C)c2c(Cl)nccc2SC)CC1 ZINC001165022024 721841999 /nfs/dbraw/zinc/84/19/99/721841999.db2.gz MYBMKOGWCVWMHY-UHFFFAOYSA-N 0 1 421.994 4.575 20 0 HJADMN Fc1ccc(-c2ccnc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)n2)cc1 ZINC001164992849 722199269 /nfs/dbraw/zinc/19/92/69/722199269.db2.gz BFMOLAKRRBKJTB-DEOSSOPVSA-N 0 1 406.480 4.667 20 0 HJADMN Fc1cccc(CN2CC[C@@]23CCCN(c2ccc(-c4ccccc4F)nn2)C3)c1 ZINC001164993740 722209705 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HJADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)cc1Cl)[C@H]2C ZINC001164856649 720929971 /nfs/dbraw/zinc/92/99/71/720929971.db2.gz KORLXBIESCEHQV-LBPRGKRZSA-N 0 1 418.319 4.551 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc3ccc(Cl)cc3nc1Cl)[C@@H]2C ZINC001164856177 720947846 /nfs/dbraw/zinc/94/78/46/720947846.db2.gz CDRJZJGDCXOPOC-CYBMUJFWSA-N 0 1 419.360 4.555 20 0 HJADMN COc1cnc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)c2cc(Cl)ccc12 ZINC001164856157 720963026 /nfs/dbraw/zinc/96/30/26/720963026.db2.gz BUCWRBWHMVAELC-OAHLLOKOSA-N 0 1 413.953 4.515 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1ncnc3cc(Cl)c(Cl)cc31)[C@@H]2C ZINC001164857166 720981909 /nfs/dbraw/zinc/98/19/09/720981909.db2.gz CPDVKYIAKRGRTH-CYBMUJFWSA-N 0 1 419.360 4.555 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1c(Cl)ccc3c(Cl)ncnc31)[C@@H]2C ZINC001164863090 721022749 /nfs/dbraw/zinc/02/27/49/721022749.db2.gz SVXCAGUZHGEOKU-CYBMUJFWSA-N 0 1 419.360 4.555 20 0 HJADMN CC(C)(c1ccnc(Cl)c1)N1CCC2(CCOC[C@@H]2COc2cccnc2)CC1 ZINC001164804142 721604215 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FC(F)(c1cccc2ccnc(Cl)c21)N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164723757 720401501 /nfs/dbraw/zinc/40/15/01/720401501.db2.gz HDFZIAIJYNNLEU-RTBURBONSA-N 0 1 414.887 4.681 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)cc3ccc(F)cc31)[C@@H]2C ZINC001164856224 720942146 /nfs/dbraw/zinc/94/21/46/720942146.db2.gz CVNNHLGQXDAKNE-CQSZACIVSA-N 0 1 401.917 4.645 20 0 HJADMN Cc1nc(-c2ccccc2)nc(Cl)c1N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001164858788 721006386 /nfs/dbraw/zinc/00/63/86/721006386.db2.gz GVICGAMJWJMQCZ-KRWDZBQOSA-N 0 1 424.980 4.723 20 0 HJADMN CC[C@@H](C)c1nc(Cl)c(C)c(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)n1 ZINC001164864818 721017429 /nfs/dbraw/zinc/01/74/29/721017429.db2.gz ZTXURWTVPRVGMT-GDBMZVCRSA-N 0 1 404.990 4.570 20 0 HJADMN c1sc2nc(C3CC3)nc(N3CCN(C[C@H]4CCCO4)CC3)c2c1-c1ccccc1 ZINC000621829463 721921398 /nfs/dbraw/zinc/92/13/98/721921398.db2.gz RTOJIHMRUIRJLM-LJQANCHMSA-N 0 1 420.582 4.537 20 0 HJADMN Cc1ccc(CN2CCOC3(CCN(c4ncc(F)c5ccccc54)CC3)C2)cc1 ZINC001164938934 721926553 /nfs/dbraw/zinc/92/65/53/721926553.db2.gz CHBKLOSTLDGTMD-UHFFFAOYSA-N 0 1 405.517 4.554 20 0 HJADMN Fc1ccc(-c2cc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)ncn2)cc1 ZINC001164995355 722209448 /nfs/dbraw/zinc/20/94/48/722209448.db2.gz MIHQMXOYKXACQC-DEOSSOPVSA-N 0 1 406.480 4.667 20 0 HJADMN COc1cccc2ccc(N3CCC4(CCCN4Cc4csc(C)n4)CC3)nc21 ZINC001164691481 719806105 /nfs/dbraw/zinc/80/61/05/719806105.db2.gz IAKIRWMALOZRJT-UHFFFAOYSA-N 0 1 408.571 4.643 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1cc3nc(Cl)cnc3cc1Cl)[C@H]2C ZINC001164856176 720953022 /nfs/dbraw/zinc/95/30/22/720953022.db2.gz CDONKYBTCCXXNB-ZDUSSCGKSA-N 0 1 419.360 4.555 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc3cccc(Cl)c31)[C@H]2C ZINC001164858317 720959903 /nfs/dbraw/zinc/95/99/03/720959903.db2.gz IMTHJYAWBSCENG-ZDUSSCGKSA-N 0 1 419.360 4.555 20 0 HJADMN Clc1ccc2c(c1)nc(Cl)cc2N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001164782128 721404065 /nfs/dbraw/zinc/40/40/65/721404065.db2.gz DCOJXLHAZLZILF-CHWSQXEVSA-N 0 1 405.354 4.566 20 0 HJADMN Clc1ccc2c(c1)nc(Cl)cc2N1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164782129 721404242 /nfs/dbraw/zinc/40/42/42/721404242.db2.gz DCOJXLHAZLZILF-STQMWFEESA-N 0 1 405.354 4.566 20 0 HJADMN CC(C)(c1ccnc(Cl)c1)N1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164927243 721899375 /nfs/dbraw/zinc/89/93/75/721899375.db2.gz ICHSTVDXAKYUHX-XMMPIXPASA-N 0 1 420.944 4.601 20 0 HJADMN Fc1cccc(CN2CC[C@@]23CCCN(c2cc(Oc4ccccc4)ncn2)C3)c1 ZINC001164995721 722194999 /nfs/dbraw/zinc/19/49/99/722194999.db2.gz XJDRJWJRGUXRJC-XMMPIXPASA-N 0 1 404.489 4.653 20 0 HJADMN Fc1cccc(CN2CC[C@]23CCCN(c2nc(Cl)nc4cccc(F)c42)C3)c1 ZINC001164993264 722197155 /nfs/dbraw/zinc/19/71/55/722197155.db2.gz DRXRNDOAHYDZKU-QFIPXVFZSA-N 0 1 414.887 4.806 20 0 HJADMN Fc1cccc(CN2CC[C@]23CCCN(c2nccc(Oc4cccc(F)c4)n2)C3)c1 ZINC001164996213 722206213 /nfs/dbraw/zinc/20/62/13/722206213.db2.gz RPBHHXAELNEIDV-DEOSSOPVSA-N 0 1 422.479 4.792 20 0 HJADMN Fc1cccc(CN2CC[C@]23CCCN(c2ccc(-c4cccc(F)c4)nn2)C3)c1 ZINC001164994886 722210343 /nfs/dbraw/zinc/21/03/43/722210343.db2.gz JGGYSNHJLOUWSW-DEOSSOPVSA-N 0 1 406.480 4.667 20 0 HJADMN COc1ccc2nc(N3CCC4(CCCN4Cc4csc(C)n4)CC3)c(C)cc2c1 ZINC001164692258 719803569 /nfs/dbraw/zinc/80/35/69/719803569.db2.gz MFWFLTYVRVYPNW-UHFFFAOYSA-N 0 1 422.598 4.952 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2ncc4cc(Cl)ccc4n2)CC3)cs1 ZINC001164692095 719809925 /nfs/dbraw/zinc/80/99/25/719809925.db2.gz FXPFEIUIGDJIIJ-UHFFFAOYSA-N 0 1 413.978 4.683 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)ncc1Cl)[C@H]2C ZINC001164861797 720927971 /nfs/dbraw/zinc/92/79/71/720927971.db2.gz UMSVGIDFJSXVJF-LBPRGKRZSA-N 0 1 418.319 4.551 20 0 HJADMN COc1cccc(OC)c1CN1CCC(N(C)c2cc(Cl)cc(Cl)n2)CC1 ZINC001165022396 721837985 /nfs/dbraw/zinc/83/79/85/721837985.db2.gz RXKKHKUECGEQCZ-UHFFFAOYSA-N 0 1 410.345 4.506 20 0 HJADMN COc1cccc(OC)c1CN1CCC(N(C)c2nccc3ccc(C)cc32)CC1 ZINC001165021296 721840928 /nfs/dbraw/zinc/84/09/28/721840928.db2.gz LAERTXAEDXJDFY-UHFFFAOYSA-N 0 1 405.542 4.661 20 0 HJADMN Cc1ccc(CN2CCOC3(CCN(c4ccc5cccc(C)c5n4)CC3)C2)cc1 ZINC001164938388 721920177 /nfs/dbraw/zinc/92/01/77/721920177.db2.gz MWLMBDVBGOORMI-UHFFFAOYSA-N 0 1 401.554 4.723 20 0 HJADMN Cc1ccc(CN2CCOC3(CCN(c4ccc5cccc(F)c5n4)CC3)C2)cc1 ZINC001164940702 721929930 /nfs/dbraw/zinc/92/99/30/721929930.db2.gz XUPDNZIADRUEPV-UHFFFAOYSA-N 0 1 405.517 4.554 20 0 HJADMN COc1cccc(-c2ccc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)nn2)c1 ZINC001164994483 722208810 /nfs/dbraw/zinc/20/88/10/722208810.db2.gz IBHPAAUBNRLHMO-RUZDIDTESA-N 0 1 418.516 4.536 20 0 HJADMN COc1ccc2nc(N3CCC4(CCCN4Cc4csc(C)n4)CC3)cc(C)c2c1 ZINC001164692960 719809317 /nfs/dbraw/zinc/80/93/17/719809317.db2.gz OMMRHAFJWURTGW-UHFFFAOYSA-N 0 1 422.598 4.952 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2nc(Cl)cc(C(C)(C)C)n2)CC3)cs1 ZINC001164691670 719812566 /nfs/dbraw/zinc/81/25/66/719812566.db2.gz JLXJKDJZUJTUAJ-UHFFFAOYSA-N 0 1 420.026 4.827 20 0 HJADMN Cc1cccc2c(C)cc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)nc12 ZINC001164696106 719887295 /nfs/dbraw/zinc/88/72/95/719887295.db2.gz XHRDXOAIBIHWOM-UHFFFAOYSA-N 0 1 407.583 4.785 20 0 HJADMN c1nc2n(c1CN1CCCC1)CCN(c1cc(-c3ccccc3)c3ccccc3n1)CC2 ZINC001164736135 720580197 /nfs/dbraw/zinc/58/01/97/720580197.db2.gz DNJPIKMQQBZMPN-UHFFFAOYSA-N 0 1 423.564 4.757 20 0 HJADMN COc1cccc2c(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)cc(Cl)nc12 ZINC001164861610 720920401 /nfs/dbraw/zinc/92/04/01/720920401.db2.gz TZLNOIPUMRYKOP-HNNXBMFYSA-N 0 1 413.953 4.515 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1ccc(Cl)c(Cl)n1)[C@@H]2C ZINC001164860670 720960807 /nfs/dbraw/zinc/96/08/07/720960807.db2.gz RAPDTLHFHNXPDQ-GFCCVEGCSA-N 0 1 418.319 4.551 20 0 HJADMN CC[C@H](C)c1nc(Cl)c(C)c(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)n1 ZINC001164864821 721016723 /nfs/dbraw/zinc/01/67/23/721016723.db2.gz ZTXURWTVPRVGMT-GOEBONIOSA-N 0 1 404.990 4.570 20 0 HJADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncc(Cl)cc2Cl)CC1 ZINC001165022312 721838183 /nfs/dbraw/zinc/83/81/83/721838183.db2.gz RDDQARKJNMFBPY-UHFFFAOYSA-N 0 1 410.345 4.506 20 0 HJADMN COc1ccccc1-c1ccc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)nn1 ZINC001164995926 722208268 /nfs/dbraw/zinc/20/82/68/722208268.db2.gz PYNIXHCCHQHVFL-VWLOTQADSA-N 0 1 418.516 4.536 20 0 HJADMN Fc1cccc(CN2CC[C@@]23CCCN(c2ncc(F)c(-c4ccsc4)n2)C3)c1 ZINC001164996488 722212778 /nfs/dbraw/zinc/21/27/78/722212778.db2.gz NOERFVRGFGXNGO-JOCHJYFZSA-N 0 1 412.509 4.728 20 0 HJADMN FC(F)(c1cccc2c(Cl)nccc21)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164733951 720415216 /nfs/dbraw/zinc/41/52/16/720415216.db2.gz QYGAPNVEDYHBBO-VQTJNVASSA-N 0 1 414.887 4.681 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)cnc1Cl)[C@@H]2C ZINC001164853924 720929766 /nfs/dbraw/zinc/92/97/66/720929766.db2.gz BTKTWWRINBVHLZ-GFCCVEGCSA-N 0 1 418.319 4.551 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1c(Cl)ncc(Cl)c1Cl)[C@@H]2C ZINC001164863230 720967615 /nfs/dbraw/zinc/96/76/15/720967615.db2.gz ZAHNLPMBZSNZIY-LLVKDONJSA-N 0 1 402.757 4.660 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1cc(SCc3ccccc3)ccn1)[C@@H]2C ZINC001164864802 721008373 /nfs/dbraw/zinc/00/83/73/721008373.db2.gz ZOBXNFIXTCQHCI-LJQANCHMSA-N 0 1 421.614 4.992 20 0 HJADMN FC1(F)CCN(c2c(Cl)ccnc2Cl)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164907504 721701798 /nfs/dbraw/zinc/70/17/98/721701798.db2.gz UXGHDJHUAAVSGJ-SFHVURJKSA-N 0 1 413.299 4.521 20 0 HJADMN CSc1ccnc(Cl)c1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164907805 721712262 /nfs/dbraw/zinc/71/22/62/721712262.db2.gz UHLMHJLPEUHKPM-LJQANCHMSA-N 0 1 424.948 4.590 20 0 HJADMN Fc1ccc(Cl)nc1C(F)(F)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165015400 721767775 /nfs/dbraw/zinc/76/77/75/721767775.db2.gz PRUHZRNCNKLOCG-UHFFFAOYSA-N 0 1 418.806 4.931 20 0 HJADMN COc1cccc(OC)c1CN1CCC(N(C)c2ncc(Cl)cc2SC)CC1 ZINC001165023066 721842996 /nfs/dbraw/zinc/84/29/96/721842996.db2.gz WRZOBKGQSZBNPJ-UHFFFAOYSA-N 0 1 421.994 4.575 20 0 HJADMN Cc1ccc(CN2CCOC3(CCN(c4nccc5c(C)cccc54)CC3)C2)cc1 ZINC001164940444 721926453 /nfs/dbraw/zinc/92/64/53/721926453.db2.gz QLVDPKXRXWGOIW-UHFFFAOYSA-N 0 1 401.554 4.723 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2nccc4c(Cl)ccnc42)CC3)cs1 ZINC001164691460 719805207 /nfs/dbraw/zinc/80/52/07/719805207.db2.gz HFXMTDOQDVSPEH-UHFFFAOYSA-N 0 1 413.978 4.683 20 0 HJADMN CC[C@H](C)c1nc2[nH]ccc2c(N2CCC3(CCCN3Cc3csc(C)n3)CC2)n1 ZINC001164697941 719817267 /nfs/dbraw/zinc/81/72/67/719817267.db2.gz BUVMAXJOMNIGKG-INIZCTEOSA-N 0 1 424.618 4.871 20 0 HJADMN FC(F)(c1cccc2ccnc(Cl)c21)N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164723750 720401712 /nfs/dbraw/zinc/40/17/12/720401712.db2.gz HDFZIAIJYNNLEU-MOPGFXCFSA-N 0 1 414.887 4.681 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc3ccc(Cl)cc31)[C@H]2C ZINC001164855124 720919310 /nfs/dbraw/zinc/91/93/10/720919310.db2.gz HPIMDDJCNBQRLY-ZDUSSCGKSA-N 0 1 419.360 4.555 20 0 HJADMN COc1cccc(OC)c1CN1CCC(N(C)c2nccc3c(C)cccc32)CC1 ZINC001165022709 721841132 /nfs/dbraw/zinc/84/11/32/721841132.db2.gz SKYHBIQHFNIOSU-UHFFFAOYSA-N 0 1 405.542 4.661 20 0 HJADMN Cc1ccc(CN2CCOC3(CCN(c4cc(Cl)cc(Cl)n4)CC3)C2)cc1 ZINC001164938473 721920074 /nfs/dbraw/zinc/92/00/74/721920074.db2.gz PBQNDVXCQSJLAD-UHFFFAOYSA-N 0 1 406.357 4.568 20 0 HJADMN Fc1cccc(CN2CC[C@]23CCCN(c2nccc(Oc4ccccc4)n2)C3)c1 ZINC001164995653 722196043 /nfs/dbraw/zinc/19/60/43/722196043.db2.gz WPRGGQQQQYIWEA-DEOSSOPVSA-N 0 1 404.489 4.653 20 0 HJADMN Fc1ccc(-c2cncc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)n2)cc1 ZINC001164995504 722213067 /nfs/dbraw/zinc/21/30/67/722213067.db2.gz JIFIDMFCJWJFSG-DEOSSOPVSA-N 0 1 406.480 4.667 20 0 HJADMN Fc1cccc(CN2CC[C@@]23CCCN(c2c(F)ccc4c(Cl)ncnc42)C3)c1 ZINC001164995456 722213680 /nfs/dbraw/zinc/21/36/80/722213680.db2.gz IZUSAKFCVBNLDH-JOCHJYFZSA-N 0 1 414.887 4.806 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2ncnc4c(Cl)cccc42)CC3)cs1 ZINC001164692971 719805172 /nfs/dbraw/zinc/80/51/72/719805172.db2.gz QYIIFCUHYQQRIA-UHFFFAOYSA-N 0 1 413.978 4.683 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2nccc4cc(Cl)ncc42)CC3)cs1 ZINC001164692892 719806756 /nfs/dbraw/zinc/80/67/56/719806756.db2.gz NMRAWQNZSIDSSH-UHFFFAOYSA-N 0 1 413.978 4.683 20 0 HJADMN CCOc1cc(Cl)nc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)c1 ZINC001164694344 719807893 /nfs/dbraw/zinc/80/78/93/719807893.db2.gz VLAFCIGQVBNYCI-UHFFFAOYSA-N 0 1 406.983 4.534 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2cc(-c4ccc(F)cc4)ncn2)CC3)cs1 ZINC001164692625 719814618 /nfs/dbraw/zinc/81/46/18/719814618.db2.gz PNRZDWBFJSCXHU-UHFFFAOYSA-N 0 1 423.561 4.683 20 0 HJADMN CCc1nc2sccc2c(N2CCC3(CCCN3Cc3csc(C)n3)CC2)n1 ZINC001164693571 719815067 /nfs/dbraw/zinc/81/50/67/719815067.db2.gz WODOMXRAWTZGPV-UHFFFAOYSA-N 0 1 413.616 4.654 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)cc3cc(F)ccc31)[C@H]2C ZINC001164863931 720918737 /nfs/dbraw/zinc/91/87/37/720918737.db2.gz ZWJXUUUMPZSFKA-AWEZNQCLSA-N 0 1 401.917 4.645 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1ccnc(Cl)c1Cl)[C@@H]2C ZINC001164861264 720929681 /nfs/dbraw/zinc/92/96/81/720929681.db2.gz SUYDPBFLJQCOMT-GFCCVEGCSA-N 0 1 418.319 4.551 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)cc3ccc(F)cc31)[C@H]2C ZINC001164856223 720942464 /nfs/dbraw/zinc/94/24/64/720942464.db2.gz CVNNHLGQXDAKNE-AWEZNQCLSA-N 0 1 401.917 4.645 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc3c(Cl)cccc31)[C@@H]2C ZINC001164856152 720954479 /nfs/dbraw/zinc/95/44/79/720954479.db2.gz BRNUKWYDEAZUNJ-CYBMUJFWSA-N 0 1 419.360 4.555 20 0 HJADMN COc1ccc2c(cc(Cl)nc2N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)c1 ZINC001164863361 720979740 /nfs/dbraw/zinc/97/97/40/720979740.db2.gz UQYMKRCADISKTL-HNNXBMFYSA-N 0 1 413.953 4.515 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1nccc3cc(F)c(Cl)cc31)[C@H]2C ZINC001164858089 721016045 /nfs/dbraw/zinc/01/60/45/721016045.db2.gz GFJGYGODQYBAKU-AWEZNQCLSA-N 0 1 401.917 4.645 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1c(Cl)ccc3c(Cl)ncnc31)[C@H]2C ZINC001164863093 721022273 /nfs/dbraw/zinc/02/22/73/721022273.db2.gz SVXCAGUZHGEOKU-ZDUSSCGKSA-N 0 1 419.360 4.555 20 0 HJADMN CSc1cc(Cl)cnc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164908785 721719921 /nfs/dbraw/zinc/71/99/21/721719921.db2.gz ZJDFVCODYGSCLA-LJQANCHMSA-N 0 1 424.948 4.590 20 0 HJADMN Fc1cc(C(F)(F)N2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)cnc1Cl ZINC001165014735 721767514 /nfs/dbraw/zinc/76/75/14/721767514.db2.gz IDRGTMIYOFUUBC-UHFFFAOYSA-N 0 1 418.806 4.931 20 0 HJADMN Fc1ccccc1-c1cc(C(F)(F)N2CCN(C3CCCC3)CC2)c(Cl)nn1 ZINC001165033132 721862449 /nfs/dbraw/zinc/86/24/49/721862449.db2.gz CVICWFHAHHFDRZ-UHFFFAOYSA-N 0 1 410.871 4.546 20 0 HJADMN Fc1cccc(CN2CC[C@@]23CCCN(c2nccc(Oc4cccc(F)c4)n2)C3)c1 ZINC001164996214 722206256 /nfs/dbraw/zinc/20/62/56/722206256.db2.gz RPBHHXAELNEIDV-XMMPIXPASA-N 0 1 422.479 4.792 20 0 HJADMN COc1cccc(-c2ccc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)nn2)c1 ZINC001164994484 722208595 /nfs/dbraw/zinc/20/85/95/722208595.db2.gz IBHPAAUBNRLHMO-VWLOTQADSA-N 0 1 418.516 4.536 20 0 HJADMN Fc1ccc(Oc2ccnc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)n2)cc1 ZINC001164993750 722209898 /nfs/dbraw/zinc/20/98/98/722209898.db2.gz ALUAJNZVBSVGBT-DEOSSOPVSA-N 0 1 422.479 4.792 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2ccnc(-c4ccccc4)n2)CC3)cs1 ZINC001164690859 719805293 /nfs/dbraw/zinc/80/52/93/719805293.db2.gz BERWRGNPMOWMGO-UHFFFAOYSA-N 0 1 405.571 4.544 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2nc4[nH]ccc4cc2Cl)CC3)cs1 ZINC001164693042 719810120 /nfs/dbraw/zinc/81/01/20/719810120.db2.gz PEXXOBIOIWOYFD-UHFFFAOYSA-N 0 1 401.967 4.568 20 0 HJADMN CCOc1ccc(Cl)nc1N1CCC2(CCCN2Cc2csc(C)n2)CC1 ZINC001164694460 719810713 /nfs/dbraw/zinc/81/07/13/719810713.db2.gz YGEKUQOFLMABPO-UHFFFAOYSA-N 0 1 406.983 4.534 20 0 HJADMN c1ccc(CN2CCc3nc(N4C[C@@H]5CCC[C@@H](OCC6CC6)[C@@H]5C4)ccc3C2)cc1 ZINC001164902347 721497091 /nfs/dbraw/zinc/49/70/91/721497091.db2.gz YOYYQDYSKGFFDC-GGBSJPMNSA-N 0 1 417.597 4.671 20 0 HJADMN Fc1cccc(CN2CC[C@@]23CCCN(c2cncc(Oc4cccc(F)c4)n2)C3)c1 ZINC001164997272 722205119 /nfs/dbraw/zinc/20/51/19/722205119.db2.gz YBGNJMKVDCBGBU-XMMPIXPASA-N 0 1 422.479 4.792 20 0 HJADMN COc1ccc(-c2cc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)ncn2)cc1 ZINC001164995271 722209005 /nfs/dbraw/zinc/20/90/05/722209005.db2.gz MAHXNPWCBYTMMH-RUZDIDTESA-N 0 1 418.516 4.536 20 0 HJADMN Cc1csc2nc(C)nc(N3CCC4(CCCN4Cc4csc(C)n4)CC3)c12 ZINC001164691289 719814947 /nfs/dbraw/zinc/81/49/47/719814947.db2.gz DRNYQPMXCNMTOP-UHFFFAOYSA-N 0 1 413.616 4.708 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc3ccc(Cl)cc3nc1Cl)[C@H]2C ZINC001164856178 720949591 /nfs/dbraw/zinc/94/95/91/720949591.db2.gz CDRJZJGDCXOPOC-ZDUSSCGKSA-N 0 1 419.360 4.555 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc3cc(Cl)ccc31)[C@H]2C ZINC001164861816 720961164 /nfs/dbraw/zinc/96/11/64/720961164.db2.gz UFMGNCWSHJIMMJ-ZDUSSCGKSA-N 0 1 419.360 4.555 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1cc(C(C)(C)C)nc(C(C)(C)C)n1)[C@@H]2C ZINC001164859056 720999268 /nfs/dbraw/zinc/99/92/68/720999268.db2.gz KRNSIMJVWZPOQG-QGZVFWFLSA-N 0 1 412.626 4.690 20 0 HJADMN Cc1nc(-c2ccccc2)nc(Cl)c1N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164858789 721007096 /nfs/dbraw/zinc/00/70/96/721007096.db2.gz GVICGAMJWJMQCZ-QGZVFWFLSA-N 0 1 424.980 4.723 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)[C@@H]2C ZINC001164858056 721024323 /nfs/dbraw/zinc/02/43/23/721024323.db2.gz FOTRULYXAFUFBP-CQSZACIVSA-N 0 1 423.939 4.775 20 0 HJADMN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CCN(C2CCCC2)CC1 ZINC001165029197 721854524 /nfs/dbraw/zinc/85/45/24/721854524.db2.gz HRUGWBOGISYVNO-UHFFFAOYSA-N 0 1 401.288 4.546 20 0 HJADMN COc1cc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)nc2ccccc21 ZINC001164691540 719811935 /nfs/dbraw/zinc/81/19/35/719811935.db2.gz GPEIJHZLXZFAPC-UHFFFAOYSA-N 0 1 408.571 4.643 20 0 HJADMN Clc1ccc2ccnc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)c2c1 ZINC001164696077 719890537 /nfs/dbraw/zinc/89/05/37/719890537.db2.gz WGUJDCFPFRZTBS-UHFFFAOYSA-N 0 1 413.974 4.821 20 0 HJADMN COc1cccc2c(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)cc(Cl)nc12 ZINC001164861617 720920421 /nfs/dbraw/zinc/92/04/21/720920421.db2.gz TZLNOIPUMRYKOP-OAHLLOKOSA-N 0 1 413.953 4.515 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1nnc(Cl)c3ccc(Cl)cc31)[C@@H]2C ZINC001164864367 721013505 /nfs/dbraw/zinc/01/35/05/721013505.db2.gz XLJALZOQGPDEEE-CYBMUJFWSA-N 0 1 419.360 4.555 20 0 HJADMN CC[C@@H](C)c1nc(Cl)c(C)c(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164864824 721017851 /nfs/dbraw/zinc/01/78/51/721017851.db2.gz ZTXURWTVPRVGMT-ZBFHGGJFSA-N 0 1 404.990 4.570 20 0 HJADMN COc1ccccc1-c1ccnc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)n1 ZINC001164994909 722209397 /nfs/dbraw/zinc/20/93/97/722209397.db2.gz JNNCPTOIRPLVJX-VWLOTQADSA-N 0 1 418.516 4.536 20 0 HJADMN Fc1cccc(CN2CC[C@]23CCCN(c2ccc(-c4ccccc4F)nn2)C3)c1 ZINC001164993738 722210264 /nfs/dbraw/zinc/21/02/64/722210264.db2.gz AJRLJGZGQBFJIR-DEOSSOPVSA-N 0 1 406.480 4.667 20 0 HJADMN Cc1cc2ccccc2c(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)n1 ZINC001164674012 719514824 /nfs/dbraw/zinc/51/48/24/719514824.db2.gz YUTWAGJAUQBZPU-UHFFFAOYSA-N 0 1 405.517 4.554 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2nnc(Cl)c4ccccc42)CC3)cs1 ZINC001164691031 719804847 /nfs/dbraw/zinc/80/48/47/719804847.db2.gz CZKQLRFHSNPSHD-UHFFFAOYSA-N 0 1 413.978 4.683 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2ccc(-c4cccc(C)c4)nn2)CC3)cs1 ZINC001164693088 719813833 /nfs/dbraw/zinc/81/38/33/719813833.db2.gz UIFKIDRHCLMLAI-UHFFFAOYSA-N 0 1 419.598 4.852 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2cncc(-c4ccc(F)cc4)n2)CC3)cs1 ZINC001164700201 719816312 /nfs/dbraw/zinc/81/63/12/719816312.db2.gz JNPTXERDCKFYQI-UHFFFAOYSA-N 0 1 423.561 4.683 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)cc3cc(F)ccc31)[C@@H]2C ZINC001164863934 720920454 /nfs/dbraw/zinc/92/04/54/720920454.db2.gz ZWJXUUUMPZSFKA-CQSZACIVSA-N 0 1 401.917 4.645 20 0 HJADMN Cc1cc2nc(Cl)c(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)nc2cc1C ZINC001164864109 720976558 /nfs/dbraw/zinc/97/65/58/720976558.db2.gz XLZMBWDYSSLDOE-INIZCTEOSA-N 0 1 412.969 4.518 20 0 HJADMN c1ccc(CN2CCc3nc(N4C[C@@H]5CCC[C@H](OCC6CC6)[C@@H]5C4)ccc3C2)cc1 ZINC001164902345 721496878 /nfs/dbraw/zinc/49/68/78/721496878.db2.gz YOYYQDYSKGFFDC-FBILRYNDSA-N 0 1 417.597 4.671 20 0 HJADMN Fc1cnc(Cl)cc1C(F)(F)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165014950 721767725 /nfs/dbraw/zinc/76/77/25/721767725.db2.gz KCCAEERDJWGWSG-UHFFFAOYSA-N 0 1 418.806 4.931 20 0 HJADMN Fc1cccc(CN2CC[C@]23CCCN(c2cncc(Oc4cccc(F)c4)n2)C3)c1 ZINC001164997271 722204833 /nfs/dbraw/zinc/20/48/33/722204833.db2.gz YBGNJMKVDCBGBU-DEOSSOPVSA-N 0 1 422.479 4.792 20 0 HJADMN Fc1cccc(CN2CC[C@]23CCCN(c2ccc(-c4c(F)cccc4F)nn2)C3)c1 ZINC001164997241 722209716 /nfs/dbraw/zinc/20/97/16/722209716.db2.gz XLYQZQPZPBFBQT-DEOSSOPVSA-N 0 1 424.470 4.806 20 0 HJADMN Fc1cccc(CN2CC[C@@]23CCCN(c2nc(Cl)cc(-c4ccncc4)n2)C3)c1 ZINC001164998793 722212766 /nfs/dbraw/zinc/21/27/66/722212766.db2.gz XWVCLTJJWXDVEA-HSZRJFAPSA-N 0 1 423.923 4.576 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2ccc4c(Cl)ccnc4n2)CC3)cs1 ZINC001164691963 719810400 /nfs/dbraw/zinc/81/04/00/719810400.db2.gz CHEBJNOVAQYUJZ-UHFFFAOYSA-N 0 1 413.978 4.683 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2ccc4nccc(Cl)c4n2)CC3)cs1 ZINC001164693103 719812608 /nfs/dbraw/zinc/81/26/08/719812608.db2.gz URRAFTZFSMIUOV-UHFFFAOYSA-N 0 1 413.978 4.683 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2cc(-c4cccs4)ncn2)CC3)cs1 ZINC001164692198 719814733 /nfs/dbraw/zinc/81/47/33/719814733.db2.gz NXQJCCQMLCJVFJ-UHFFFAOYSA-N 0 1 411.600 4.605 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2ncnc4cc(C)c(C)cc42)CC3)cs1 ZINC001164692957 719816016 /nfs/dbraw/zinc/81/60/16/719816016.db2.gz SQONHAQQFWKWJP-UHFFFAOYSA-N 0 1 407.587 4.647 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1ccc(Cl)nc1Cl)[C@H]2C ZINC001164857498 720924317 /nfs/dbraw/zinc/92/43/17/720924317.db2.gz LJDJBLAJFRXTNN-LBPRGKRZSA-N 0 1 418.319 4.551 20 0 HJADMN CCCCOc1cnc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)c(Cl)c1 ZINC001164857258 720992325 /nfs/dbraw/zinc/99/23/25/720992325.db2.gz FJQWIVSSTPLNOO-INIZCTEOSA-N 0 1 405.974 4.532 20 0 HJADMN FC1(F)CCN(c2ncc(Cl)cc2Cl)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164906136 721585045 /nfs/dbraw/zinc/58/50/45/721585045.db2.gz LVLFFKHAMGJVJP-GOSISDBHSA-N 0 1 413.299 4.521 20 0 HJADMN Cc1ccc(CN2CCOC3(CCN(c4nccc5ccc(F)cc54)CC3)C2)cc1 ZINC001164940551 721926607 /nfs/dbraw/zinc/92/66/07/721926607.db2.gz TVDWCNDWEWCKLC-UHFFFAOYSA-N 0 1 405.517 4.554 20 0 HJADMN Cc1ccc(-c2nnc(N3CCN(CCc4ccccn4)CC3)c3ccccc32)cc1C ZINC001165054743 722017191 /nfs/dbraw/zinc/01/71/91/722017191.db2.gz AIYIIIOHVYBQKR-UHFFFAOYSA-N 0 1 423.564 4.673 20 0 HJADMN c1ccc(CN2CCc3nc(N4CCC5(CC(OCC6CC6)C5)CC4)ccc3C2)cc1 ZINC001164976934 722172343 /nfs/dbraw/zinc/17/23/43/722172343.db2.gz KYQAZCYNJHDOAJ-UHFFFAOYSA-N 0 1 417.597 4.816 20 0 HJADMN Fc1ccc(-c2cncc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)n2)cc1 ZINC001164995507 722213228 /nfs/dbraw/zinc/21/32/28/722213228.db2.gz JIFIDMFCJWJFSG-XMMPIXPASA-N 0 1 406.480 4.667 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2cc(Cl)nc4c2CCC4)CC3)cs1 ZINC001164693953 719806599 /nfs/dbraw/zinc/80/65/99/719806599.db2.gz SPMKWRWNDXDCRI-UHFFFAOYSA-N 0 1 402.995 4.624 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2ccc(-c4ccccc4F)nn2)CC3)cs1 ZINC001164691572 719815047 /nfs/dbraw/zinc/81/50/47/719815047.db2.gz HSAGFFVPYRXLPJ-UHFFFAOYSA-N 0 1 423.561 4.683 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2nccnc2Oc2ccccc2)CC3)cs1 ZINC001164693638 719815220 /nfs/dbraw/zinc/81/52/20/719815220.db2.gz XMFKUPUYNDVBTG-UHFFFAOYSA-N 0 1 421.570 4.669 20 0 HJADMN Cc1cccc(Sc2cncc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)n2)c1 ZINC001164861856 720989032 /nfs/dbraw/zinc/98/90/32/720989032.db2.gz QYTJAEVGAIXAEN-SFHVURJKSA-N 0 1 422.602 4.554 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1cc(SCc3ccccc3)ccn1)[C@H]2C ZINC001164864799 721008235 /nfs/dbraw/zinc/00/82/35/721008235.db2.gz ZOBXNFIXTCQHCI-IBGZPJMESA-N 0 1 421.614 4.992 20 0 HJADMN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CCN(C2CCCC2)CC1 ZINC001165029255 721857244 /nfs/dbraw/zinc/85/72/44/721857244.db2.gz WIYCMKWXOLQTJI-UHFFFAOYSA-N 0 1 401.288 4.546 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2ccc(-c4ccc(C)cc4)nn2)CC3)cs1 ZINC001164692197 719813338 /nfs/dbraw/zinc/81/33/38/719813338.db2.gz NXIUDDJHHOMMNS-UHFFFAOYSA-N 0 1 419.598 4.852 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2c(C)nc(C4CC4)nc2Cl)CC3)cs1 ZINC001164692189 719814382 /nfs/dbraw/zinc/81/43/82/719814382.db2.gz NLZWTDHWPXOUBV-UHFFFAOYSA-N 0 1 418.010 4.716 20 0 HJADMN Cc1c(Cl)cnc(Cl)c1N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164698993 719897244 /nfs/dbraw/zinc/89/72/44/719897244.db2.gz VIGPIKCWJDEKIJ-UHFFFAOYSA-N 0 1 412.386 4.630 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc3ccc(Cl)cc31)[C@@H]2C ZINC001164855119 720920023 /nfs/dbraw/zinc/92/00/23/720920023.db2.gz HPIMDDJCNBQRLY-CYBMUJFWSA-N 0 1 419.360 4.555 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1c(Cl)ncc(Cl)c1Cl)[C@H]2C ZINC001164863232 720966655 /nfs/dbraw/zinc/96/66/55/720966655.db2.gz ZAHNLPMBZSNZIY-NSHDSACASA-N 0 1 402.757 4.660 20 0 HJADMN COc1ccc2c(cc(Cl)nc2N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)c1 ZINC001164863364 720980309 /nfs/dbraw/zinc/98/03/09/720980309.db2.gz UQYMKRCADISKTL-OAHLLOKOSA-N 0 1 413.953 4.515 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1cc(Cl)nc3c(F)cccc13)[C@H]2C ZINC001164860341 721018879 /nfs/dbraw/zinc/01/88/79/721018879.db2.gz LKUVLJMZMLKPEA-AWEZNQCLSA-N 0 1 401.917 4.645 20 0 HJADMN CCc1cc2c(ccnc2N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)o1 ZINC001164946536 721933016 /nfs/dbraw/zinc/93/30/16/721933016.db2.gz ZJUJOBNCWVBYBL-UHFFFAOYSA-N 0 1 405.542 4.570 20 0 HJADMN Fc1ccc(-c2ccnc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)n2)cc1 ZINC001164992850 722199321 /nfs/dbraw/zinc/19/93/21/722199321.db2.gz BFMOLAKRRBKJTB-XMMPIXPASA-N 0 1 406.480 4.667 20 0 HJADMN COc1ccc(-c2cc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)ncn2)cc1 ZINC001164995275 722209042 /nfs/dbraw/zinc/20/90/42/722209042.db2.gz MAHXNPWCBYTMMH-VWLOTQADSA-N 0 1 418.516 4.536 20 0 HJADMN Fc1ccc(-c2cc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)ncn2)cc1 ZINC001164995356 722209257 /nfs/dbraw/zinc/20/92/57/722209257.db2.gz MIHQMXOYKXACQC-XMMPIXPASA-N 0 1 406.480 4.667 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2nccc(Oc4ccccc4)n2)CC3)cs1 ZINC001164690857 719805861 /nfs/dbraw/zinc/80/58/61/719805861.db2.gz BELBRLVNYUHQEL-UHFFFAOYSA-N 0 1 421.570 4.669 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2cc4c(Cl)ccnc4cn2)CC3)cs1 ZINC001164693116 719810675 /nfs/dbraw/zinc/81/06/75/719810675.db2.gz QLAVKLVWFYMBDO-UHFFFAOYSA-N 0 1 413.978 4.683 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2cc(-c4ccccc4)ncn2)CC3)cs1 ZINC001164691548 719813138 /nfs/dbraw/zinc/81/31/38/719813138.db2.gz GWKJCZNXFOQGRX-UHFFFAOYSA-N 0 1 405.571 4.544 20 0 HJADMN Cc1nc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)c(Cl)cc1Cl ZINC001164697035 719896825 /nfs/dbraw/zinc/89/68/25/719896825.db2.gz IYPSNGIHHVUQLW-UHFFFAOYSA-N 0 1 412.386 4.630 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc3c(Cl)cccc31)[C@H]2C ZINC001164856153 720953348 /nfs/dbraw/zinc/95/33/48/720953348.db2.gz BRNUKWYDEAZUNJ-ZDUSSCGKSA-N 0 1 419.360 4.555 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)cc3c(Cl)ccnc31)[C@H]2C ZINC001164858706 720957362 /nfs/dbraw/zinc/95/73/62/720957362.db2.gz KKVNVBSMNYYAIB-ZDUSSCGKSA-N 0 1 419.360 4.555 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc3cc(Cl)ccc31)[C@@H]2C ZINC001164861810 720959934 /nfs/dbraw/zinc/95/99/34/720959934.db2.gz UFMGNCWSHJIMMJ-CYBMUJFWSA-N 0 1 419.360 4.555 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1cc(Cl)nc3c(F)ccc(F)c13)[C@H]2C ZINC001164856379 721021104 /nfs/dbraw/zinc/02/11/04/721021104.db2.gz AAUYYWCPOJKCMG-ZDUSSCGKSA-N 0 1 419.907 4.784 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)cc3cccc(F)c31)[C@H]2C ZINC001164861393 721023867 /nfs/dbraw/zinc/02/38/67/721023867.db2.gz OHNOHUNOCAOWQP-AWEZNQCLSA-N 0 1 401.917 4.645 20 0 HJADMN c1ccc(CN2CCc3nc(N4C[C@@H]5CCC[C@H](OCC6CC6)[C@H]5C4)ccc3C2)cc1 ZINC001164902349 721497045 /nfs/dbraw/zinc/49/70/45/721497045.db2.gz YOYYQDYSKGFFDC-GVUKDKGQSA-N 0 1 417.597 4.671 20 0 HJADMN FC(F)(c1ccnc(Cl)c1)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165014979 721766589 /nfs/dbraw/zinc/76/65/89/721766589.db2.gz KYMQXUROFOJBSN-UHFFFAOYSA-N 0 1 400.816 4.791 20 0 HJADMN COc1cccc(OC)c1CN1CCC(N(C)c2nc(Cl)ccc2Cl)CC1 ZINC001165022126 721839830 /nfs/dbraw/zinc/83/98/30/721839830.db2.gz PFIJNMIPEGNFEC-UHFFFAOYSA-N 0 1 410.345 4.506 20 0 HJADMN CC(C)(c1ccnc(Cl)c1)N1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC001164927239 721899415 /nfs/dbraw/zinc/89/94/15/721899415.db2.gz ICHSTVDXAKYUHX-DEOSSOPVSA-N 0 1 420.944 4.601 20 0 HJADMN Cc1nc(CO[C@@H]2COC3(C2)CCN(C(C)(C)c2ccnc(Cl)c2)CC3)cs1 ZINC001165010405 722273322 /nfs/dbraw/zinc/27/33/22/722273322.db2.gz WFFCQPOEFZTWGK-SFHVURJKSA-N 0 1 421.994 4.575 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2ncnc4[nH]c5ccccc5c42)CC3)cs1 ZINC001164692590 719809972 /nfs/dbraw/zinc/80/99/72/719809972.db2.gz KHXXXEMKSXUDCT-UHFFFAOYSA-N 0 1 418.570 4.511 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2ccc(-c4ccncc4)cn2)CC3)cs1 ZINC001164691190 719813346 /nfs/dbraw/zinc/81/33/46/719813346.db2.gz APELLLMSRUSEDL-UHFFFAOYSA-N 0 1 405.571 4.544 20 0 HJADMN COc1cccc2c1ccnc2N1CCC2(CCCN2Cc2csc(C)n2)CC1 ZINC001164694046 719814432 /nfs/dbraw/zinc/81/44/32/719814432.db2.gz ZYHARLXMOHHHHE-UHFFFAOYSA-N 0 1 408.571 4.643 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2ccc(-c4cccc(F)c4)nn2)CC3)cs1 ZINC001164691323 719814745 /nfs/dbraw/zinc/81/47/45/719814745.db2.gz FZKBXRKFXYDUMZ-UHFFFAOYSA-N 0 1 423.561 4.683 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2ncnc(Cl)c2C(C)C)CC3)cs1 ZINC001164703136 719815630 /nfs/dbraw/zinc/81/56/30/719815630.db2.gz ULQDQQSULRTTGB-UHFFFAOYSA-N 0 1 405.999 4.653 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2nc(C(C)C)nc(Cl)c2C)CC3)cs1 ZINC001164704035 719815725 /nfs/dbraw/zinc/81/57/25/719815725.db2.gz WZNDYAOGOHVMTP-UHFFFAOYSA-N 0 1 420.026 4.962 20 0 HJADMN FC(F)(c1cccc2c(Cl)nccc21)N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164733949 720414402 /nfs/dbraw/zinc/41/44/02/720414402.db2.gz QYGAPNVEDYHBBO-UXHICEINSA-N 0 1 414.887 4.681 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1nnc(Cl)c3ccc(Cl)cc31)[C@H]2C ZINC001164864373 721013795 /nfs/dbraw/zinc/01/37/95/721013795.db2.gz XLJALZOQGPDEEE-ZDUSSCGKSA-N 0 1 419.360 4.555 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc3c(Cl)cccc3nc1Cl)[C@@H]2C ZINC001164859585 721016534 /nfs/dbraw/zinc/01/65/34/721016534.db2.gz JPSNYCAIIJTZJE-CYBMUJFWSA-N 0 1 419.360 4.555 20 0 HJADMN Cc1ccc(CN2CCOC3(CCN(c4nc5ccccc5cc4C)CC3)C2)cc1 ZINC001164938958 721923975 /nfs/dbraw/zinc/92/39/75/721923975.db2.gz DKDILJYRNKJFFF-UHFFFAOYSA-N 0 1 401.554 4.723 20 0 HJADMN Fc1cccc(CN2CC[C@]23CCCN(c2cc(Oc4ccccc4)ncn2)C3)c1 ZINC001164995719 722195026 /nfs/dbraw/zinc/19/50/26/722195026.db2.gz XJDRJWJRGUXRJC-DEOSSOPVSA-N 0 1 404.489 4.653 20 0 HJADMN Cc1nc(CN2CCCC23CCN(c2nnc(Cl)c4ccsc42)CC3)cs1 ZINC001164692846 719805962 /nfs/dbraw/zinc/80/59/62/719805962.db2.gz PWUWVLHTPRHKAH-UHFFFAOYSA-N 0 1 420.007 4.745 20 0 HJADMN CSc1cc(Cl)cnc1N1CCC2(CCCN2Cc2csc(C)n2)CC1 ZINC001164691721 719812498 /nfs/dbraw/zinc/81/24/98/719812498.db2.gz JXSHLAWJIRGKRL-UHFFFAOYSA-N 0 1 409.024 4.857 20 0 HJADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1ccc(Cl)nc1Cl)[C@@H]2C ZINC001164857497 720926123 /nfs/dbraw/zinc/92/61/23/720926123.db2.gz LJDJBLAJFRXTNN-GFCCVEGCSA-N 0 1 418.319 4.551 20 0 HJADMN FC1(F)CCN(c2nc(Cl)ccc2Cl)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164903730 721697992 /nfs/dbraw/zinc/69/79/92/721697992.db2.gz BYDUGYGVTZJBAB-GOSISDBHSA-N 0 1 413.299 4.521 20 0 HJADMN FC(F)(c1ccc(Cl)nc1)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165015993 721766747 /nfs/dbraw/zinc/76/67/47/721766747.db2.gz UZKCGWLHRNDDBA-UHFFFAOYSA-N 0 1 400.816 4.791 20 0 HJADMN Cc1ccc(CN2CCOC3(CCN(c4nc(Cl)ccc4Cl)CC3)C2)cc1 ZINC001164938923 721924541 /nfs/dbraw/zinc/92/45/41/721924541.db2.gz BTTPYBHJJXJXSN-UHFFFAOYSA-N 0 1 406.357 4.568 20 0 HJADMN CSc1cc(Cl)ncc1N1CCC2(CC1)CN(Cc1ccc(C)cc1)CCO2 ZINC001164940416 721925236 /nfs/dbraw/zinc/92/52/36/721925236.db2.gz PYILPSIOTFCPNT-UHFFFAOYSA-N 0 1 418.006 4.637 20 0 HJADMN Cc1ccc(CN2CCOC3(CCN(c4cc(C)c5ccccc5n4)CC3)C2)cc1 ZINC001164938959 721926102 /nfs/dbraw/zinc/92/61/02/721926102.db2.gz DKOQDUIWESBGFV-UHFFFAOYSA-N 0 1 401.554 4.723 20 0 HJADMN